A0A077ZNH6_TRITR Loading...

HTH 6 and SIS domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 194 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
1M62.9Low85.9Confident159 Ų15949.3 Ų49.378%0.78325%0.249SC*.  0121.40-174.1176.3-106.700107.7E5 K6M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CE-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 3.55Å; M1-E5 HydrophobicContact SD-CB 4.43Å; M1-K6 HydrophobicContact CG-CB 4.31Å; M1-K6 HydrophobicContact SD-CB 3.95Å; M1-K6 HydrophobicContact SD-CG 4.46Å
2N80.5Confident86.2Confident40 Ų4056.3 Ų56.321%0.21428%0.28CS..  trans-71.9155.7174.5167.8-41.6000109.8L4 E5 K6 S73N2-L4 PolarHBondContact O-N 3.22Å; N2-L4 PolarHBondContact OD1-N 3.25Å; N2-E5 HydrophobicContact CB-CG 4.35Å; N2-E5 PolarHBondContact N-OE2 3.07Å; N2-E5 PolarHBondContact O-N 3.1Å; N2-K6 PolarHBondContact O-N 3.34Å; N2-S73 VanDerWaalsContact ND2-C 3.29Å; N2-S73 WeakPolarHBondContact ND2-CA 3.43Å; N2-S73 VanDerWaalsContact ND2-CB 3.33Å; N2-S73 WeakPolarHBondContact ND2-CB 3.45Å; N2-S73 PolarHBondContact ND2-O 3.2Å; N2-S73 WeakPolarHBondContact OD1-CB 3.29Å; N2-S73 PolarHBondContact OD1-OG 2.83Å
3M89.5Confident86.7Confident18 Ų1863.6 Ų63.69%0.08931%0.313CS..Hα-helixtrans-52-38.8178.6-176.856.974.100113K6 I7 M58 T60 F66 H69 L70 S73M3-K6 WeakPolarHBondContact O-CB 3.34Å; M3-K6 PolarHBondContact O-N 3.48Å; M3-K6 HydrophobicContact SD-CD 4.5Å; M3-I7 HydrophobicContact CG-CD1 4.08Å; M3-I7 VanDerWaalsContact O-CG1 3.25Å; M3-I7 WeakPolarHBondContact O-CG1 3.47Å; M3-I7 PolarHBondContact O-N 2.92Å; M3-I7 HydrophobicContact SD-CD1 4.5Å; M3-I7 HydrophobicContact SD-CG1 4.43Å; M3-M58 HydrophobicContact SD-CB 4.1Å; M3-T60 HydrophobicContact CE-CG2 3.72Å; M3-F66 HydrophobicContact CE-CD2 4.27Å; M3-F66 HydrophobicContact CE-CE2 4.45Å; M3-F66 HydrophobicContact CG-CE2 3.92Å; M3-F66 HydrophobicContact CG-CZ 4.36Å; M3-F66 HydrophobicContact SD-CD2 4.1Å; M3-F66 HydrophobicContact SD-CE2 3.7Å; M3-H69 HydrophobicContact CE-CB 3.56Å; M3-L70 HydrophobicContact CG-CB 4.43Å; M3-L70 HydrophobicContact CG-CD1 4.35Å; M3-S73 VanDerWaalsContact CB-OG 3.23Å; M3-S73 WeakPolarHBondContact CB-OG 3.36Å; M3-S73 PolarHBondContact N-OG 3.16Å
4L88.7Confident87.2Confident0 Ų060.8 Ų60.80%030%0.299CS..Hα-helixtrans-68.7-40.3-179.8-72.3159.6000112.6N2 K6 I7 Q8 I25 L26 P29 L70 L74 Y80N2-L4 PolarHBondContact O-N 3.22Å; N2-L4 PolarHBondContact OD1-N 3.25Å; L4-K6 VanDerWaalsContact C-N 3.28Å; L4-K6 PolarHBondContact O-N 2.94Å; L4-I7 HydrophobicContact CD2-CD1 4.47Å; L4-I7 PolarHBondContact O-N 3.48Å; L4-Q8 WeakPolarHBondContact O-CB 3.35Å; L4-Q8 PolarHBondContact O-N 3.26Å; L4-I25 HydrophobicContact CD2-CG2 4.32Å; L4-L26 HydrophobicContact CD2-CD2 4.07Å; L4-P29 HydrophobicContact CD1-CB 3.94Å; L4-P29 HydrophobicContact CD1-CG 3.99Å; L4-P29 HydrophobicContact CD2-CB 3.96Å; L4-P29 HydrophobicContact CD2-CG 3.67Å; L4-L70 HydrophobicContact CD1-CD1 3.96Å; L4-L70 HydrophobicContact CD2-CD1 3.69Å; L4-L70 HydrophobicContact CG-CD1 3.59Å; L4-L74 HydrophobicContact CD1-CD2 3.74Å; L4-L74 HydrophobicContact CD1-CG 4.34Å; L4-Y80 HydrophobicContact CB-CD2 3.45Å; L4-Y80 VanDerWaalsContact CB-CD2 3.45Å; L4-Y80 HydrophobicContact CB-CE2 3.59Å; L4-Y80 HydrophobicContact CB-CG 4.05Å; L4-Y80 HydrophobicContact CD1-CD1 3.89Å; L4-Y80 HydrophobicContact CD1-CD2 3.71Å; L4-Y80 HydrophobicContact CD1-CE2 4.47Å; L4-Y80 HydrophobicContact CD1-CG 3.37Å; L4-Y80 HydrophobicContact CD2-CD1 4.38Å; L4-Y80 HydrophobicContact CD2-CE1 4.35Å; L4-Y80 HydrophobicContact CD2-CG 4.46Å; L4-Y80 HydrophobicContact CG-CD2 4.06Å; L4-Y80 HydrophobicContact CG-CE2 4.39Å; L4-Y80 HydrophobicContact CG-CG 4.14Å
5E83.6Confident87.8Confident53 Ų5360.5 Ų60.525%0.24831%0.306CS..Hα-helixtrans-63-37.3172.8-63.1174.6153.600111.3M1 N2 Q8 S9M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CE-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 3.55Å; M1-E5 HydrophobicContact SD-CB 4.43Å; N2-E5 HydrophobicContact CB-CG 4.35Å; N2-E5 PolarHBondContact N-OE2 3.07Å; N2-E5 PolarHBondContact O-N 3.1Å; E5-Q8 PolarHBondContact O-N 3.12Å; E5-S9 WeakPolarHBondContact O-CB 3.31Å; E5-S9 PolarHBondContact O-N 3.39Å; E5-S9 PolarHBondContact O-OG 2.86Å; E5-S9 VanDerWaalsContact O-OG 3.11Å
6K88.7Confident88.3Confident44 Ų4467.7 Ų67.719%0.19133%0.334CS..Hα-helixtrans-63.5-46175-173.2179.3-178.6177.30111.3M1 N2 M3 L4 Q8 S9 Q10 M58 D59M1-K6 HydrophobicContact CG-CB 4.31Å; M1-K6 HydrophobicContact SD-CB 3.95Å; M1-K6 HydrophobicContact SD-CG 4.46Å; N2-K6 PolarHBondContact O-N 3.34Å; M3-K6 WeakPolarHBondContact O-CB 3.34Å; M3-K6 PolarHBondContact O-N 3.48Å; M3-K6 HydrophobicContact SD-CD 4.5Å; L4-K6 VanDerWaalsContact C-N 3.28Å; L4-K6 PolarHBondContact O-N 2.94Å; K6-Q8 PolarHBondContact O-N 3.25Å; K6-S9 PolarHBondContact O-N 2.81Å; K6-S9 PolarHBondContact O-OG 3.5Å; K6-Q10 WeakPolarHBondContact O-CG 3.34Å; K6-Q10 PolarHBondContact O-N 3.49Å; K6-Q10 VanDerWaalsContact O-N 3.17Å; K6-M58 HydrophobicContact CD-SD 4.48Å; K6-M58 HydrophobicContact CG-SD 4.26Å; K6-M58 VanDerWaalsContact NZ-C 3.29Å; K6-M58 PolarHBondContact NZ-O 2.96Å; K6-D59 IonicContact NZ-OD2 3.01Å; K6-D59 PolarHBondContact NZ-OD2 3.45Å
7I92.9Very high88.8Confident0 Ų066.7 Ų66.70%034%0.336CS..Hα-helixtrans-60.8-46.8176.8-64163.2000110.3M3 L4 S9 Q10 L11 A22 I25 L26 F54 M58 F66M3-I7 HydrophobicContact CG-CD1 4.08Å; M3-I7 VanDerWaalsContact O-CG1 3.25Å; M3-I7 WeakPolarHBondContact O-CG1 3.47Å; M3-I7 PolarHBondContact O-N 2.92Å; M3-I7 HydrophobicContact SD-CD1 4.5Å; M3-I7 HydrophobicContact SD-CG1 4.43Å; L4-I7 HydrophobicContact CD2-CD1 4.47Å; L4-I7 PolarHBondContact O-N 3.48Å; I7-S9 PolarHBondContact O-N 3.21Å; I7-Q10 PolarHBondContact O-N 3.44Å; I7-L11 PolarHBondContact O-N 3.46Å; I7-A22 HydrophobicContact CG2-CB 3.6Å; I7-I25 HydrophobicContact CD1-CG2 3.93Å; I7-L26 HydrophobicContact CB-CD2 4.23Å; I7-L26 HydrophobicContact CG2-CD1 3.89Å; I7-L26 HydrophobicContact CG2-CD2 4Å; I7-L26 HydrophobicContact CG2-CG 3.85Å; I7-F54 HydrophobicContact CD1-CZ 4.33Å; I7-F54 HydrophobicContact CG1-CZ 4.08Å; I7-F54 HydrophobicContact CG2-CE2 4.49Å; I7-F54 HydrophobicContact CG2-CZ 4.08Å; I7-M58 HydrophobicContact CB-CE 4.42Å; I7-M58 HydrophobicContact CG1-CE 4.12Å; I7-M58 HydrophobicContact CG1-CG 4.48Å; I7-M58 HydrophobicContact CG1-SD 4.21Å; I7-M58 HydrophobicContact CG2-CE 4.5Å; I7-F66 HydrophobicContact CD1-CE2 3.93Å; I7-F66 HydrophobicContact CD1-CZ 3.64Å; I7-F66 HydrophobicContact CG1-CE2 4.47Å
8Q89.1Confident89.3Confident72 Ų7264.8 Ų64.834%0.33633%0.326SS..Hα-helixtrans-61.7-44179.6-172.964.449.900112.3L4 E5 K6 Q10 L11 L26L4-Q8 WeakPolarHBondContact O-CB 3.35Å; L4-Q8 PolarHBondContact O-N 3.26Å; E5-Q8 PolarHBondContact O-N 3.12Å; K6-Q8 PolarHBondContact O-N 3.25Å; Q8-Q10 VanDerWaalsContact C-N 3.27Å; Q8-Q10 PolarHBondContact O-N 2.94Å; Q8-L11 WeakPolarHBondContact O-CB 3.33Å; Q8-L11 PolarHBondContact O-N 3.15Å; Q8-L26 HydrophobicContact CB-CD2 4.45Å
9S86.5Confident89.7Confident61 Ų6165.2 Ų65.243%0.42732%0.323SS..Hα-helixtrans-68.3-24.1-18063.10000113.9E5 K6 I7E5-S9 WeakPolarHBondContact O-CB 3.31Å; E5-S9 PolarHBondContact O-N 3.39Å; E5-S9 PolarHBondContact O-OG 2.86Å; E5-S9 VanDerWaalsContact O-OG 3.11Å; K6-S9 PolarHBondContact O-N 2.81Å; K6-S9 PolarHBondContact O-OG 3.5Å; I7-S9 PolarHBondContact O-N 3.21Å
10Q91.2Very high90.1Very high78 Ų7865.3 Ų65.336%0.36432%0.321SS..Hα-helixtrans-93.8-6.4179.2-67.4-66.7-14.600113.4K6 I7 Q8 E12 H13 L14 M58K6-Q10 WeakPolarHBondContact O-CG 3.34Å; K6-Q10 PolarHBondContact O-N 3.49Å; K6-Q10 VanDerWaalsContact O-N 3.17Å; I7-Q10 PolarHBondContact O-N 3.44Å; Q8-Q10 VanDerWaalsContact C-N 3.27Å; Q8-Q10 PolarHBondContact O-N 2.94Å; Q10-E12 VanDerWaalsContact C-N 3.25Å; Q10-E12 PolarHBondContact O-N 2.77Å; Q10-E12 VanDerWaalsContact O-N 3.09Å; Q10-H13 WeakPolarHBondContact O-CA 3.28Å; Q10-H13 PolarHBondContact O-N 2.87Å; Q10-L14 WeakPolarHBondContact O-CG 3.31Å; Q10-L14 PolarHBondContact O-N 3.2Å; Q10-M58 HydrophobicContact CB-CE 4.11Å
11L91.6Very high90.5Very high17 Ų1762.2 Ų62.29%0.08931%0.306CS..THydrogen-bonded Turntrans-52-40-169.6-160.678.2000113.9I7 Q8 H13 R19 A22 E23 L26I7-L11 PolarHBondContact O-N 3.46Å; Q8-L11 WeakPolarHBondContact O-CB 3.33Å; Q8-L11 PolarHBondContact O-N 3.15Å; L11-H13 VanDerWaalsContact C-N 3.33Å; L11-R19 HydrophobicContact CD1-CG 4.29Å; L11-R19 HydrophobicContact CG-CG 4.31Å; L11-A22 HydrophobicContact CD1-CB 3.64Å; L11-E23 HydrophobicContact CD1-CG 4.42Å; L11-L26 HydrophobicContact CD1-CD1 3.86Å
12E89.7Confident92.1Very high133 Ų13354.6 Ų54.662%0.62127%0.269SS*.THydrogen-bonded Turntrans-79.3-13179.7-62.5-55.5140.700114Q10 R19Q10-E12 VanDerWaalsContact C-N 3.25Å; Q10-E12 PolarHBondContact O-N 2.77Å; Q10-E12 VanDerWaalsContact O-N 3.09Å; E12-R19 IonicContact OE1-CZ 3.36Å; E12-R19 IonicContact OE1-NH1 3.45Å; E12-R19 PolarHBondContact OE1-NH1 3.11Å; E12-R19 IonicContact OE1-NH2 2.87Å; E12-R19 PolarHBondContact OE1-NH2 2.99Å; E12-R19 IonicContact OE2-CZ 3.95Å; E12-R19 IonicContact OE2-NH1 2.64Å; E12-R19 PolarHBondContact OE2-NH1 3.08Å
13H92.2Very high92.8Very high152 Ų15257 Ų5770%0.70428%0.279SS*.THydrogen-bonded Turntrans-99.2-10177.8-60.1-48.4000113.1Q10 L11Q10-H13 WeakPolarHBondContact O-CA 3.28Å; Q10-H13 PolarHBondContact O-N 2.87Å; L11-H13 VanDerWaalsContact C-N 3.33Å
14L94.1Very high93.1Very high24 Ų2457.3 Ų57.313%0.12628%0.281CS..SBendtrans-74.3147.7178.1-66.4175.5000111.6Q10 E18 R19 A22 F54 M58Q10-L14 WeakPolarHBondContact O-CG 3.31Å; Q10-L14 PolarHBondContact O-N 3.2Å; L14-E18 HydrophobicContact CB-CB 4Å; L14-E18 HydrophobicContact CD2-CB 4.15Å; L14-E18 HydrophobicContact CG-CB 4.46Å; L14-R19 HydrophobicContact CB-CB 4.25Å; L14-A22 HydrophobicContact CD1-CB 3.6Å; L14-F54 HydrophobicContact CD1-CD2 4.14Å; L14-F54 HydrophobicContact CD1-CE2 3.77Å; L14-F54 HydrophobicContact CD2-CD2 4.28Å; L14-F54 HydrophobicContact CD2-CE2 4.44Å; L14-M58 HydrophobicContact CD1-CE 4.1Å; L14-M58 HydrophobicContact CD2-CE 3.92Å
15S95.6Very high93.4Very high57 Ų5757.3 Ų57.340%0.39928%0.281SS..  trans-61.9157.5168.168.50000110.8S17 E18 R19S15-S17 PolarHBondContact O-N 2.79Å; S15-E18 VanDerWaalsContact CB-OE2 3.32Å; S15-E18 WeakPolarHBondContact CB-OE2 3.46Å; S15-E18 PolarHBondContact N-OE2 3.03Å; S15-E18 VanDerWaalsContact N-OE2 3.13Å; S15-E18 PolarHBondContact O-N 3.39Å; S15-E18 WeakPolarHBondContact OG-CB 3.37Å; S15-E18 VanDerWaalsContact OG-CG 3.24Å; S15-E18 WeakPolarHBondContact OG-CG 3.45Å; S15-E18 PolarHBondContact OG-N 3.15Å; S15-E18 PolarHBondContact OG-OE2 3.5Å; S15-R19 WeakPolarHBondContact O-CB 3.17Å; S15-R19 PolarHBondContact O-N 2.84Å
16K96.4Very high93.8Very high175 Ų17555.4 Ų55.476%0.76127%0.273SS*.Hα-helixtrans-50-38.3-179.7-173.4178.3-177.7176.60113.2
17S97.2Very high93.8Very high51 Ų5156.5 Ų56.536%0.35729%0.29SS..Hα-helixtrans-79.7-35.4-179.5-51.60000112.7S15 R19 K20S15-S17 PolarHBondContact O-N 2.79Å; S17-R19 VanDerWaalsContact C-N 3.35Å; S17-K20 PolarHBondContact O-N 3.19Å
18E96.5Very high93.7Very high33 Ų3359.2 Ų59.215%0.15431%0.309CS..Hα-helixtrans-69.8-35.1174.8-70.9166.9149.700111.6L14 S15 K20 V21 A22 F54L14-E18 HydrophobicContact CB-CB 4Å; L14-E18 HydrophobicContact CD2-CB 4.15Å; L14-E18 HydrophobicContact CG-CB 4.46Å; S15-E18 VanDerWaalsContact CB-OE2 3.32Å; S15-E18 WeakPolarHBondContact CB-OE2 3.46Å; S15-E18 PolarHBondContact N-OE2 3.03Å; S15-E18 VanDerWaalsContact N-OE2 3.13Å; S15-E18 PolarHBondContact O-N 3.39Å; S15-E18 WeakPolarHBondContact OG-CB 3.37Å; S15-E18 VanDerWaalsContact OG-CG 3.24Å; S15-E18 WeakPolarHBondContact OG-CG 3.45Å; S15-E18 PolarHBondContact OG-N 3.15Å; S15-E18 PolarHBondContact OG-OE2 3.5Å; E18-K20 VanDerWaalsContact C-N 3.31Å; E18-K20 PolarHBondContact O-N 3.48Å; E18-V21 WeakPolarHBondContact O-CB 3.26Å; E18-V21 PolarHBondContact O-N 2.9Å; E18-V21 VanDerWaalsContact O-N 3.1Å; E18-A22 PolarHBondContact O-N 3.35Å; E18-F54 HydrophobicContact CB-CB 4.3Å; E18-F54 HydrophobicContact CB-CD2 4.11Å; E18-F54 HydrophobicContact CG-CB 4.04Å
19R97Very high93.7Very high72 Ų7256.3 Ų56.327%0.27230%0.296SS..Hα-helixtrans-59-40.5174.1-174.7176-178.7134.65.4112L11 E12 L14 S15 S17 V21 A22 E23L11-R19 HydrophobicContact CD1-CG 4.29Å; L11-R19 HydrophobicContact CG-CG 4.31Å; E12-R19 IonicContact OE1-CZ 3.36Å; E12-R19 IonicContact OE1-NH1 3.45Å; E12-R19 PolarHBondContact OE1-NH1 3.11Å; E12-R19 IonicContact OE1-NH2 2.87Å; E12-R19 PolarHBondContact OE1-NH2 2.99Å; E12-R19 IonicContact OE2-CZ 3.95Å; E12-R19 IonicContact OE2-NH1 2.64Å; E12-R19 PolarHBondContact OE2-NH1 3.08Å; L14-R19 HydrophobicContact CB-CB 4.25Å; S15-R19 WeakPolarHBondContact O-CB 3.17Å; S15-R19 PolarHBondContact O-N 2.84Å; S17-R19 VanDerWaalsContact C-N 3.35Å; R19-V21 VanDerWaalsContact C-N 3.29Å; R19-V21 PolarHBondContact O-N 3.38Å; R19-A22 WeakPolarHBondContact O-CB 2.76Å; R19-A22 PolarHBondContact O-N 2.98Å; R19-E23 HydrophobicContact CG-CG 4.32Å; R19-E23 WeakPolarHBondContact CG-OE1 3.33Å; R19-E23 IonicContact NE-OE1 3Å; R19-E23 PolarHBondContact NE-OE1 3.38Å; R19-E23 WeakPolarHBondContact O-CB 3.48Å; R19-E23 VanDerWaalsContact O-CG 3.32Å; R19-E23 WeakPolarHBondContact O-CG 3.39Å; R19-E23 PolarHBondContact O-N 3.5Å
20K97.8Very high93.9Very high67 Ų6758.4 Ų58.429%0.29130%0.303SS..Hα-helixtrans-59.7-40.4174.2-65.5-176.9-176.2-175.80112.4S17 E18 E23 V24 A44 N45 V46S17-K20 PolarHBondContact O-N 3.19Å; E18-K20 VanDerWaalsContact C-N 3.31Å; E18-K20 PolarHBondContact O-N 3.48Å; K20-E23 PolarHBondContact O-N 2.87Å; K20-V24 WeakPolarHBondContact O-CG2 3.48Å; K20-V24 PolarHBondContact O-N 3.4Å; K20-V24 VanDerWaalsContact O-N 3.11Å; K20-A44 HydrophobicContact CB-CB 4.31Å; K20-A44 WeakPolarHBondContact CB-O 3.49Å; K20-A44 WeakPolarHBondContact CD-O 3.49Å; K20-N45 PolarHBondContact NZ-O 2.9Å; K20-V46 HydrophobicContact CB-CG1 4.38Å; K20-V46 HydrophobicContact CD-CG1 4.05Å
21V97.9Very high93.9Very high0 Ų058.7 Ų58.70%031%0.307CS..Hα-helixtrans-65.6-44.7176.9-177.20000110.1E18 R19 E23 V24 I25 M40 A44 V46 V51 F54E18-V21 WeakPolarHBondContact O-CB 3.26Å; E18-V21 PolarHBondContact O-N 2.9Å; E18-V21 VanDerWaalsContact O-N 3.1Å; R19-V21 VanDerWaalsContact C-N 3.29Å; R19-V21 PolarHBondContact O-N 3.38Å; V21-E23 PolarHBondContact O-N 2.88Å; V21-V24 PolarHBondContact O-N 3.42Å; V21-I25 HydrophobicContact CG1-CD1 3.8Å; V21-I25 WeakPolarHBondContact O-CD1 3.48Å; V21-I25 VanDerWaalsContact O-CG1 3.28Å; V21-I25 WeakPolarHBondContact O-CG1 3.31Å; V21-I25 PolarHBondContact O-N 3.08Å; V21-I25 VanDerWaalsContact O-N 3.1Å; V21-M40 HydrophobicContact CG1-CG 4.4Å; V21-A44 HydrophobicContact CG2-CB 3.99Å; V21-V46 HydrophobicContact CG2-CG2 3.73Å; V21-V51 HydrophobicContact CG1-CG1 4.15Å; V21-V51 HydrophobicContact CG1-CG2 4.47Å; V21-V51 HydrophobicContact CG2-CG2 4.01Å; V21-F54 HydrophobicContact CB-CB 4.34Å; V21-F54 HydrophobicContact CB-CD1 4.16Å; V21-F54 HydrophobicContact CB-CD2 4.45Å; V21-F54 HydrophobicContact CB-CG 4.04Å; V21-F54 HydrophobicContact CG1-CB 4.25Å; V21-F54 HydrophobicContact CG1-CD1 3.45Å; V21-F54 VanDerWaalsContact CG1-CD1 3.45Å; V21-F54 HydrophobicContact CG1-CE1 3.93Å; V21-F54 HydrophobicContact CG1-CG 3.83Å
22A96.8Very high94Very high0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-58.4-46.4175.200000112.3I7 L11 L14 E18 R19 I25 L26 F54I7-A22 HydrophobicContact CG2-CB 3.6Å; L11-A22 HydrophobicContact CD1-CB 3.64Å; L14-A22 HydrophobicContact CD1-CB 3.6Å; E18-A22 PolarHBondContact O-N 3.35Å; R19-A22 WeakPolarHBondContact O-CB 2.76Å; R19-A22 PolarHBondContact O-N 2.98Å; A22-I25 PolarHBondContact O-N 3.46Å; A22-L26 WeakPolarHBondContact O-CB 3.41Å; A22-L26 WeakPolarHBondContact O-CG 3.36Å; A22-L26 PolarHBondContact O-N 3.13Å; A22-F54 HydrophobicContact CB-CE2 3.7Å; A22-F54 HydrophobicContact CB-CZ 4.05Å
23E95.3Very high94.2Very high90 Ų9053.2 Ų53.242%0.42128%0.282SS..Hα-helixtrans-61.9-43.4-179.6-74.8167.2177.600111.9L11 R19 K20 V21 I25 L26 A27L11-E23 HydrophobicContact CD1-CG 4.42Å; R19-E23 HydrophobicContact CG-CG 4.32Å; R19-E23 WeakPolarHBondContact CG-OE1 3.33Å; R19-E23 IonicContact NE-OE1 3Å; R19-E23 PolarHBondContact NE-OE1 3.38Å; R19-E23 WeakPolarHBondContact O-CB 3.48Å; R19-E23 VanDerWaalsContact O-CG 3.32Å; R19-E23 WeakPolarHBondContact O-CG 3.39Å; R19-E23 PolarHBondContact O-N 3.5Å; K20-E23 PolarHBondContact O-N 2.87Å; V21-E23 PolarHBondContact O-N 2.88Å; E23-I25 PolarHBondContact O-N 3.36Å; E23-L26 PolarHBondContact O-N 3.21Å; E23-A27 VanDerWaalsContact O-CB 3.28Å; E23-A27 WeakPolarHBondContact O-CB 3.42Å; E23-A27 PolarHBondContact O-N 3.5Å
24V95.7Very high94.2Very high24 Ų2453 Ų5315%0.14528%0.281CS..Hα-helixtrans-60.8-44.9174.1169.70000111.4K20 V21 A27 S28 M40 E43 A44K20-V24 WeakPolarHBondContact O-CG2 3.48Å; K20-V24 PolarHBondContact O-N 3.4Å; K20-V24 VanDerWaalsContact O-N 3.11Å; V21-V24 PolarHBondContact O-N 3.42Å; V24-A27 PolarHBondContact O-N 2.91Å; V24-S28 PolarHBondContact O-N 2.79Å; V24-M40 HydrophobicContact CB-SD 4.32Å; V24-M40 HydrophobicContact CG1-CE 4.38Å; V24-M40 HydrophobicContact CG1-SD 3.65Å; V24-E43 HydrophobicContact CG1-CB 4.23Å; V24-E43 VanDerWaalsContact CG1-CD 3.45Å; V24-E43 HydrophobicContact CG1-CG 3.68Å; V24-E43 HydrophobicContact CG2-CG 4.12Å; V24-A44 HydrophobicContact CB-CB 4.49Å; V24-A44 HydrophobicContact CG2-CB 3.9Å
25I94.9Very high94.3Very high0 Ų052.6 Ų52.60%028%0.28CS..Hα-helixtrans-65.8-43179.7-66.5162.6000111.2L4 I7 V21 A22 E23 A27 S28 P29 A32 M40 F54 F66 L70L4-I25 HydrophobicContact CD2-CG2 4.32Å; I7-I25 HydrophobicContact CD1-CG2 3.93Å; V21-I25 HydrophobicContact CG1-CD1 3.8Å; V21-I25 WeakPolarHBondContact O-CD1 3.48Å; V21-I25 VanDerWaalsContact O-CG1 3.28Å; V21-I25 WeakPolarHBondContact O-CG1 3.31Å; V21-I25 PolarHBondContact O-N 3.08Å; V21-I25 VanDerWaalsContact O-N 3.1Å; A22-I25 PolarHBondContact O-N 3.46Å; E23-I25 PolarHBondContact O-N 3.36Å; I25-A27 VanDerWaalsContact C-N 3.31Å; I25-A27 PolarHBondContact O-N 3.21Å; I25-S28 CarbonylContact O-C 3.56Å; I25-S28 PolarHBondContact O-N 3.22Å; I25-P29 WeakPolarHBondContact O-CA 3.37Å; I25-P29 VanDerWaalsContact O-CD 3.25Å; I25-P29 WeakPolarHBondContact O-CD 3.46Å; I25-P29 VanDerWaalsContact O-CG 3.29Å; I25-P29 WeakPolarHBondContact O-CG 3.31Å; I25-A32 HydrophobicContact CB-CB 4.33Å; I25-A32 HydrophobicContact CG1-CB 3.99Å; I25-A32 HydrophobicContact CG2-CB 4.16Å; I25-M40 HydrophobicContact CD1-SD 4.47Å; I25-M40 HydrophobicContact CG1-CE 4.06Å; I25-M40 HydrophobicContact CG1-SD 3.93Å; I25-F54 HydrophobicContact CD1-CD1 4.17Å; I25-F54 HydrophobicContact CD1-CE1 3.37Å; I25-F54 HydrophobicContact CD1-CZ 4Å; I25-F66 HydrophobicContact CD1-CE1 3.71Å; I25-F66 HydrophobicContact CD1-CZ 3.74Å; I25-F66 HydrophobicContact CG2-CZ 4.32Å; I25-L70 HydrophobicContact CG2-CD1 4.5Å; I25-L70 HydrophobicContact CG2-CD2 3.9Å
26L91.7Very high94.3Very high14 Ų1453 Ų537%0.07328%0.283CS..Hα-helixtrans-69.9-28.1179.7-68.4168.1000112.4L4 I7 Q8 L11 A22 E23 Y80L4-L26 HydrophobicContact CD2-CD2 4.07Å; I7-L26 HydrophobicContact CB-CD2 4.23Å; I7-L26 HydrophobicContact CG2-CD1 3.89Å; I7-L26 HydrophobicContact CG2-CD2 4Å; I7-L26 HydrophobicContact CG2-CG 3.85Å; Q8-L26 HydrophobicContact CB-CD2 4.45Å; L11-L26 HydrophobicContact CD1-CD1 3.86Å; A22-L26 WeakPolarHBondContact O-CB 3.41Å; A22-L26 WeakPolarHBondContact O-CG 3.36Å; A22-L26 PolarHBondContact O-N 3.13Å; E23-L26 PolarHBondContact O-N 3.21Å; L26-Y80 WeakPolarHBondContact CD2-OH 3.46Å
27A89.9Confident94.4Very high67 Ų6746.8 Ų46.855%0.55426%0.257SS*.Hα-helixtrans-71.5-34.617600000112.6E23 V24 I25E23-A27 VanDerWaalsContact O-CB 3.28Å; E23-A27 WeakPolarHBondContact O-CB 3.42Å; E23-A27 PolarHBondContact O-N 3.5Å; V24-A27 PolarHBondContact O-N 2.91Å; I25-A27 VanDerWaalsContact C-N 3.31Å; I25-A27 PolarHBondContact O-N 3.21Å
28S89.6Confident94.4Very high56 Ų5646.4 Ų46.439%0.39226%0.258SS..  trans-151.277.1179-70.80000112.4V24 I25 D30 N31 A32V24-S28 PolarHBondContact O-N 2.79Å; I25-S28 CarbonylContact O-C 3.56Å; I25-S28 PolarHBondContact O-N 3.22Å; S28-D30 VanDerWaalsContact C-N 3.31Å; S28-D30 PolarHBondContact O-N 2.86Å; S28-N31 PolarHBondContact O-N 2.91Å; S28-N31 VanDerWaalsContact O-N 3.08Å; S28-A32 PolarHBondContact O-N 3.2Å
29P90.7Very high94.5Very high11 Ų1146.9 Ų46.97%0.07127%0.267CS..Hα-helixtrans-58.6-38.7-178.6-26.835.3000114L4 I25 N31 A32 I33 L74 Y80L4-P29 HydrophobicContact CD1-CB 3.94Å; L4-P29 HydrophobicContact CD1-CG 3.99Å; L4-P29 HydrophobicContact CD2-CB 3.96Å; L4-P29 HydrophobicContact CD2-CG 3.67Å; I25-P29 WeakPolarHBondContact O-CA 3.37Å; I25-P29 VanDerWaalsContact O-CD 3.25Å; I25-P29 WeakPolarHBondContact O-CD 3.46Å; I25-P29 VanDerWaalsContact O-CG 3.29Å; I25-P29 WeakPolarHBondContact O-CG 3.31Å; P29-N31 VanDerWaalsContact C-N 3.3Å; P29-N31 PolarHBondContact O-N 2.9Å; P29-A32 WeakPolarHBondContact O-CB 3.44Å; P29-A32 PolarHBondContact O-N 2.91Å; P29-I33 PolarHBondContact O-N 2.83Å; P29-I33 VanDerWaalsContact O-N 3.12Å; P29-L74 HydrophobicContact CB-CD1 4.01Å; P29-L74 HydrophobicContact CB-CD2 3.86Å; P29-L74 HydrophobicContact CB-CG 4.41Å; P29-Y80 HydrophobicContact CG-CD1 3.63Å; P29-Y80 HydrophobicContact CG-CE1 3.98Å
30D89.3Confident94.5Very high105 Ų10543.4 Ų43.456%0.56125%0.254SS*.Hα-helixtrans-62.8-37.7176.9-65.6-58.2000111.7S28 I33 H34S28-D30 VanDerWaalsContact C-N 3.31Å; S28-D30 PolarHBondContact O-N 2.86Å; D30-I33 WeakPolarHBondContact O-CG1 3.42Å; D30-H34 PolarHBondContact O-CD2 3.02Å
31N91.7Very high94.6Very high85 Ų8540.5 Ų40.546%0.45524%0.242SC..Hα-helixtrans-71.2-41.1175.8-147.835.6000110.3S28 P29 I33 H34 S35S28-N31 PolarHBondContact O-N 2.91Å; S28-N31 VanDerWaalsContact O-N 3.08Å; P29-N31 VanDerWaalsContact C-N 3.3Å; P29-N31 PolarHBondContact O-N 2.9Å; N31-I33 VanDerWaalsContact C-N 3.31Å; N31-I33 PolarHBondContact O-N 2.78Å; N31-H34 CarbonylContact O-C 3.56Å; N31-H34 PolarHBondContact O-N 3.17Å; N31-S35 PolarHBondContact O-N 3.46Å; N31-S35 PolarHBondContact O-OG 3.28Å; N31-S35 VanDerWaalsContact O-OG 3.11Å
32A93.9Very high94.6Very high3 Ų347.3 Ų47.33%0.02528%0.278CS..Hα-helixtrans-59.7-34.4-18000000114.2I25 S28 P29 H34 M40 K67 L70I25-A32 HydrophobicContact CB-CB 4.33Å; I25-A32 HydrophobicContact CG1-CB 3.99Å; I25-A32 HydrophobicContact CG2-CB 4.16Å; S28-A32 PolarHBondContact O-N 3.2Å; P29-A32 WeakPolarHBondContact O-CB 3.44Å; P29-A32 PolarHBondContact O-N 2.91Å; A32-H34 VanDerWaalsContact C-N 3.28Å; A32-H34 PolarHBondContact O-N 2.9Å; A32-M40 HydrophobicContact CB-CE 3.58Å; A32-K67 WeakPolarHBondContact O-CD 3.08Å; A32-L70 HydrophobicContact CB-CD2 3.98Å
33I93.5Very high94.6Very high31 Ų3151.8 Ų51.816%0.15930%0.299CS..Hα-helixtrans-69.4-2617558.9164.4000112.7P29 D30 N31 K67 L70 A71 L74P29-I33 PolarHBondContact O-N 2.83Å; P29-I33 VanDerWaalsContact O-N 3.12Å; D30-I33 WeakPolarHBondContact O-CG1 3.42Å; N31-I33 VanDerWaalsContact C-N 3.31Å; N31-I33 PolarHBondContact O-N 2.78Å; I33-K67 VanDerWaalsContact O-CD 3.31Å; I33-K67 WeakPolarHBondContact O-CD 3.44Å; I33-K67 PolarHBondContact O-NZ 3.35Å; I33-L70 HydrophobicContact CG2-CB 4.01Å; I33-L70 HydrophobicContact CG2-CD2 3.67Å; I33-L70 HydrophobicContact CG2-CG 3.61Å; I33-A71 HydrophobicContact CG2-CB 4.15Å; I33-L74 HydrophobicContact CD1-CD1 4.15Å; I33-L74 HydrophobicContact CG1-CD1 4.48Å; I33-L74 HydrophobicContact CG2-CD1 3.95Å
34H93.7Very high94.7Very high149 Ų14947.7 Ų47.769%0.6928%0.28SS*.Hα-helixtrans-95.1-20.2179.8-64.3-52.9000113.3D30 N31 A32D30-H34 PolarHBondContact O-CD2 3.02Å; N31-H34 CarbonylContact O-C 3.56Å; N31-H34 PolarHBondContact O-N 3.17Å; A32-H34 VanDerWaalsContact C-N 3.28Å; A32-H34 PolarHBondContact O-N 2.9Å
35S94.6Very high94.8Very high15 Ų1552.5 Ų52.511%0.10531%0.305CS..  trans-65.7148.7177.5-64.60000113.5N31 F63 K67N31-S35 PolarHBondContact O-N 3.46Å; N31-S35 PolarHBondContact O-OG 3.28Å; N31-S35 VanDerWaalsContact O-OG 3.11Å; S35-F63 WeakPolarHBondContact O-CE1 3.46Å; S35-K67 PolarHBondContact O-NZ 2.64Å
36S97.2Very high94.9Very high65 Ų6553.9 Ų53.946%0.45531%0.313SS..  trans-78.5163.116472.80000110.3A38 A39 M40S36-A38 PolarHBondContact O-N 2.97Å; S36-A39 PolarHBondContact O-N 2.81Å; S36-A39 WeakPolarHBondContact OG-CB 3.24Å; S36-A39 PolarHBondContact OG-N 2.96Å; S36-A39 VanDerWaalsContact OG-N 3.1Å; S36-M40 WeakPolarHBondContact O-CB 3.26Å; S36-M40 PolarHBondContact O-N 3.14Å
37I97.7Very high95.2Very high44 Ų4456 Ų5623%0.22633%0.33CS..Hα-helixtrans-62.3-35.5176.8-166.9172.1000111.7M40 A41 E48 V51 N52 F63I37-M40 PolarHBondContact O-N 2.94Å; I37-A41 VanDerWaalsContact O-CB 3.26Å; I37-A41 WeakPolarHBondContact O-CB 3.46Å; I37-A41 PolarHBondContact O-N 3.18Å; I37-E48 HydrophobicContact CD1-CB 4.31Å; I37-E48 HydrophobicContact CG1-CB 4.25Å; I37-E48 HydrophobicContact CG1-CG 4.45Å; I37-E48 HydrophobicContact CG2-CG 4.41Å; I37-V51 HydrophobicContact CD1-CB 4.39Å; I37-V51 HydrophobicContact CD1-CG1 4.48Å; I37-V51 HydrophobicContact CG1-CB 4Å; I37-V51 HydrophobicContact CG1-CG1 3.93Å; I37-N52 HydrophobicContact CD1-CB 4.14Å; I37-F63 HydrophobicContact CB-CB 4.45Å; I37-F63 HydrophobicContact CB-CD1 3.65Å; I37-F63 HydrophobicContact CB-CE1 4Å; I37-F63 HydrophobicContact CB-CG 4.05Å; I37-F63 HydrophobicContact CD1-CB 3.91Å; I37-F63 HydrophobicContact CD1-CG 4.3Å; I37-F63 HydrophobicContact CG1-CB 4.26Å; I37-F63 HydrophobicContact CG1-CD1 4.23Å; I37-F63 HydrophobicContact CG1-CG 4.1Å; I37-F63 VanDerWaalsContact N-CE1 3.3Å
38A98Very high95.6Very high44 Ų4457.4 Ų57.436%0.36433%0.325SS..Hα-helixtrans-65.8-44.5176.500000111.8S36 A41 L42 E48S36-A38 PolarHBondContact O-N 2.97Å; A38-A41 PolarHBondContact O-N 2.91Å; A38-L42 WeakPolarHBondContact O-CB 3.45Å; A38-L42 PolarHBondContact O-N 3.41Å; A38-E48 WeakPolarHBondContact CB-OE1 3.22Å
39A97.7Very high96Very high42 Ų4258.4 Ų58.435%0.34733%0.33SS..Hα-helixtrans-63.9-44.617600000111.3S36 A41 L42 E43S36-A39 PolarHBondContact O-N 2.81Å; S36-A39 WeakPolarHBondContact OG-CB 3.24Å; S36-A39 PolarHBondContact OG-N 2.96Å; S36-A39 VanDerWaalsContact OG-N 3.1Å; A39-A41 VanDerWaalsContact C-N 3.34Å; A39-A41 PolarHBondContact O-N 3.37Å; A39-L42 PolarHBondContact O-N 2.95Å; A39-E43 WeakPolarHBondContact O-CB 3.28Å; A39-E43 PolarHBondContact O-N 2.9Å
40M97.8Very high96.4Very high0 Ų058.3 Ų58.30%033%0.329CS..Hα-helixtrans-61-42.1176.2-176.260.458.500112.1V21 V24 I25 A32 S36 I37 A44 V51 F63V21-M40 HydrophobicContact CG1-CG 4.4Å; V24-M40 HydrophobicContact CB-SD 4.32Å; V24-M40 HydrophobicContact CG1-CE 4.38Å; V24-M40 HydrophobicContact CG1-SD 3.65Å; I25-M40 HydrophobicContact CD1-SD 4.47Å; I25-M40 HydrophobicContact CG1-CE 4.06Å; I25-M40 HydrophobicContact CG1-SD 3.93Å; A32-M40 HydrophobicContact CB-CE 3.58Å; S36-M40 WeakPolarHBondContact O-CB 3.26Å; S36-M40 PolarHBondContact O-N 3.14Å; I37-M40 PolarHBondContact O-N 2.94Å; M40-A44 VanDerWaalsContact O-CB 3.29Å; M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 3Å; M40-V51 HydrophobicContact CB-CG1 4.36Å; M40-V51 HydrophobicContact CG-CG1 3.77Å; M40-V51 HydrophobicContact CG-CG2 4.24Å; M40-F63 HydrophobicContact CB-CE2 4.2Å; M40-F63 HydrophobicContact CB-CZ 4.07Å; M40-F63 HydrophobicContact CG-CE2 4.03Å; M40-F63 HydrophobicContact CG-CZ 4.36Å
41A98.1Very high96.8Very high5 Ų553.3 Ų53.34%0.04130%0.303CS..Hα-helixtrans-65.1-41.8177.700000111.9I37 A38 A39 N45 V46 E48 V51I37-A41 VanDerWaalsContact O-CB 3.26Å; I37-A41 WeakPolarHBondContact O-CB 3.46Å; I37-A41 PolarHBondContact O-N 3.18Å; A38-A41 PolarHBondContact O-N 2.91Å; A39-A41 VanDerWaalsContact C-N 3.34Å; A39-A41 PolarHBondContact O-N 3.37Å; A41-N45 PolarHBondContact O-N 3.4Å; A41-V46 CarbonylContact C-O 3.55Å; A41-V46 PolarHBondContact O-N 3.29Å; A41-E48 HydrophobicContact CB-CB 4.47Å; A41-E48 HydrophobicContact CB-CG 3.85Å; A41-V51 HydrophobicContact CB-CG2 3.77Å
42L97.9Very high97.1Very high143 Ų14351.7 Ų51.775%0.74929%0.294SS*.Hα-helixtrans-63.6-49.5176.3-173.7156.9000111.1A38 A39 A44 N45A38-L42 WeakPolarHBondContact O-CB 3.45Å; A38-L42 PolarHBondContact O-N 3.41Å; A39-L42 PolarHBondContact O-N 2.95Å; L42-A44 PolarHBondContact O-N 3.39Å; L42-N45 PolarHBondContact O-N 2.93Å
43E97.3Very high97.2Very high94 Ų9458 Ų5844%0.43932%0.317SS..Hα-helixtrans-62.1-42.5-179.2-170.7173.3-175.300111.8V24 A39 N45V24-E43 HydrophobicContact CG1-CB 4.23Å; V24-E43 VanDerWaalsContact CG1-CD 3.45Å; V24-E43 HydrophobicContact CG1-CG 3.68Å; V24-E43 HydrophobicContact CG2-CG 4.12Å; A39-E43 WeakPolarHBondContact O-CB 3.28Å; A39-E43 PolarHBondContact O-N 2.9Å; E43-N45 PolarHBondContact O-N 3.41Å
44A97.5Very high97.4Very high4 Ų456.5 Ų56.53%0.03331%0.309CS..THydrogen-bonded Turntrans-78-3.517500000113.8K20 V21 V24 M40 L42 V46K20-A44 HydrophobicContact CB-CB 4.31Å; K20-A44 WeakPolarHBondContact CB-O 3.49Å; K20-A44 WeakPolarHBondContact CD-O 3.49Å; V21-A44 HydrophobicContact CG2-CB 3.99Å; V24-A44 HydrophobicContact CB-CB 4.49Å; V24-A44 HydrophobicContact CG2-CB 3.9Å; M40-A44 VanDerWaalsContact O-CB 3.29Å; M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 3Å; L42-A44 PolarHBondContact O-N 3.39Å; A44-V46 HydrophobicContact CB-CG2 3.97Å; A44-V46 PolarHBondContact O-N 2.62Å
45N97.8Very high97.6Very high126 Ų12649.4 Ų49.467%0.67428%0.276SS*.THydrogen-bonded Turntrans49.655-175.1-17118.9000112.5K20 A41 L42 E43K20-N45 PolarHBondContact NZ-O 2.9Å; A41-N45 PolarHBondContact O-N 3.4Å; L42-N45 PolarHBondContact O-N 2.93Å; E43-N45 PolarHBondContact O-N 3.41Å
46V98.3Very high97.6Very high28 Ų2856 Ų5617%0.1730%0.299CS..SBendtrans-140.4177176.9-61.60000110.6K20 V21 A41 A44 T50 V51K20-V46 HydrophobicContact CB-CG1 4.38Å; K20-V46 HydrophobicContact CD-CG1 4.05Å; V21-V46 HydrophobicContact CG2-CG2 3.73Å; A41-V46 CarbonylContact C-O 3.55Å; A41-V46 PolarHBondContact O-N 3.29Å; A44-V46 HydrophobicContact CB-CG2 3.97Å; A44-V46 PolarHBondContact O-N 2.62Å; V46-T50 HydrophobicContact CB-CG2 4.11Å; V46-T50 HydrophobicContact CG1-CG2 4.34Å; V46-T50 HydrophobicContact CG2-CG2 4.29Å; V46-V51 HydrophobicContact CG2-CG2 3.84Å
47S98.1Very high97.5Very high60 Ų6055.7 Ų55.742%0.4230%0.296SS..  trans-85.6151.3173.765.70000112.3P49 T50 V51S47-P49 VanDerWaalsContact C-CD 3.47Å; S47-P49 VanDerWaalsContact C-N 3.32Å; S47-T50 WeakPolarHBondContact O-CA 3.49Å; S47-T50 WeakPolarHBondContact O-CB 3.46Å; S47-T50 PolarHBondContact O-N 3.16Å; S47-T50 PolarHBondContact OG-OG1 3.41Å; S47-V51 PolarHBondContact O-N 3.31Å
48E98.2Very high97.4Very high96 Ų9653.7 Ų53.745%0.44929%0.286SS..Hα-helixtrans-53-40.2175.3-64.3178.8-151.400113.8I37 A38 A41 T50 V51 N52I37-E48 HydrophobicContact CD1-CB 4.31Å; I37-E48 HydrophobicContact CG1-CB 4.25Å; I37-E48 HydrophobicContact CG1-CG 4.45Å; I37-E48 HydrophobicContact CG2-CG 4.41Å; A38-E48 WeakPolarHBondContact CB-OE1 3.22Å; A41-E48 HydrophobicContact CB-CB 4.47Å; A41-E48 HydrophobicContact CB-CG 3.85Å; E48-T50 PolarHBondContact O-N 3.36Å; E48-V51 PolarHBondContact O-N 3.01Å; E48-N52 PolarHBondContact O-N 2.98Å
49P97.7Very high97.1Very high76 Ų7657.9 Ų57.949%0.49430%0.303SS..Hα-helixtrans-60.5-28.3173-26.136.3000113.9S47 R53S47-P49 VanDerWaalsContact C-CD 3.47Å; S47-P49 VanDerWaalsContact C-N 3.32Å; P49-R53 WeakPolarHBondContact O-CG 3.39Å; P49-R53 PolarHBondContact O-N 3.42Å
50T97.8Very high97Very high10 Ų1056.4 Ų56.46%0.06129%0.289CS..Hα-helixtrans-70.2-44.3175.3-55.80000111.1V46 S47 E48 N52 R53 F54V46-T50 HydrophobicContact CB-CG2 4.11Å; V46-T50 HydrophobicContact CG1-CG2 4.34Å; V46-T50 HydrophobicContact CG2-CG2 4.29Å; S47-T50 WeakPolarHBondContact O-CA 3.49Å; S47-T50 WeakPolarHBondContact O-CB 3.46Å; S47-T50 PolarHBondContact O-N 3.16Å; S47-T50 PolarHBondContact OG-OG1 3.41Å; E48-T50 PolarHBondContact O-N 3.36Å; T50-N52 VanDerWaalsContact C-N 3.27Å; T50-N52 PolarHBondContact O-N 3.14Å; T50-R53 PolarHBondContact O-N 2.84Å; T50-R53 PolarHBondContact OG1-NH2 3.33Å; T50-F54 PolarHBondContact O-N 2.89Å
51V98.3Very high96.9Very high0 Ų065.8 Ų65.80%033%0.325CS..Hα-helixtrans-58.1-43.8173.4-178.30000110.2V21 I37 M40 A41 V46 S47 E48 R53 F54 C55 F63V21-V51 HydrophobicContact CG1-CG1 4.15Å; V21-V51 HydrophobicContact CG1-CG2 4.47Å; V21-V51 HydrophobicContact CG2-CG2 4.01Å; I37-V51 HydrophobicContact CD1-CB 4.39Å; I37-V51 HydrophobicContact CD1-CG1 4.48Å; I37-V51 HydrophobicContact CG1-CB 4Å; I37-V51 HydrophobicContact CG1-CG1 3.93Å; M40-V51 HydrophobicContact CB-CG1 4.36Å; M40-V51 HydrophobicContact CG-CG1 3.77Å; M40-V51 HydrophobicContact CG-CG2 4.24Å; A41-V51 HydrophobicContact CB-CG2 3.77Å; V46-V51 HydrophobicContact CG2-CG2 3.84Å; S47-V51 PolarHBondContact O-N 3.31Å; E48-V51 PolarHBondContact O-N 3.01Å; V51-R53 PolarHBondContact O-N 3.46Å; V51-F54 WeakPolarHBondContact O-CB 3.47Å; V51-F54 PolarHBondContact O-N 3.25Å; V51-C55 PolarHBondContact O-N 3.17Å; V51-C55 PolarHBondContact O-SG 3.25Å; V51-F63 HydrophobicContact CG1-CD2 3.72Å; V51-F63 HydrophobicContact CG1-CE2 3.97Å
52N97.4Very high96.7Very high50 Ų5065.8 Ų65.827%0.26733%0.325SS..Hα-helixtrans-67.8-35.5179.6-156.521.6000112.9I37 E48 T50 C55 R56 G62 F63I37-N52 HydrophobicContact CD1-CB 4.14Å; E48-N52 PolarHBondContact O-N 2.98Å; T50-N52 VanDerWaalsContact C-N 3.27Å; T50-N52 PolarHBondContact O-N 3.14Å; N52-C55 PolarHBondContact O-N 3.09Å; N52-R56 WeakPolarHBondContact O-CG 3.46Å; N52-R56 PolarHBondContact O-N 3.48Å; N52-G62 WeakPolarHBondContact OD1-CA 3.21Å; N52-F63 PolarHBondContact OD1-N 3.4Å
53R96.5Very high96.7Very high136 Ų13659.5 Ų59.551%0.51329%0.292SS..Hα-helixtrans-63.9-45.1172.5-79.9-169.5-61.8-95.4-0.8111.7P49 T50 V51 C55 R56 S57P49-R53 WeakPolarHBondContact O-CG 3.39Å; P49-R53 PolarHBondContact O-N 3.42Å; T50-R53 PolarHBondContact O-N 2.84Å; T50-R53 PolarHBondContact OG1-NH2 3.33Å; V51-R53 PolarHBondContact O-N 3.46Å; R53-C55 PolarHBondContact O-N 2.95Å; R53-R56 PolarHBondContact O-N 3.29Å; R53-R56 VanDerWaalsContact O-N 3.15Å; R53-S57 PolarHBondContact O-N 3.41Å
54F97.9Very high96.6Very high0 Ų059.9 Ų59.90%030%0.303CS..Hα-helixtrans-55.6-48.7172.7166.9-96.3000111.7I7 L14 E18 V21 A22 I25 T50 V51 R56 S57 M58 F66I7-F54 HydrophobicContact CD1-CZ 4.33Å; I7-F54 HydrophobicContact CG1-CZ 4.08Å; I7-F54 HydrophobicContact CG2-CE2 4.49Å; I7-F54 HydrophobicContact CG2-CZ 4.08Å; L14-F54 HydrophobicContact CD1-CD2 4.14Å; L14-F54 HydrophobicContact CD1-CE2 3.77Å; L14-F54 HydrophobicContact CD2-CD2 4.28Å; L14-F54 HydrophobicContact CD2-CE2 4.44Å; E18-F54 HydrophobicContact CB-CB 4.3Å; E18-F54 HydrophobicContact CB-CD2 4.11Å; E18-F54 HydrophobicContact CG-CB 4.04Å; V21-F54 HydrophobicContact CB-CB 4.34Å; V21-F54 HydrophobicContact CB-CD1 4.16Å; V21-F54 HydrophobicContact CB-CD2 4.45Å; V21-F54 HydrophobicContact CB-CG 4.04Å; V21-F54 HydrophobicContact CG1-CB 4.25Å; V21-F54 HydrophobicContact CG1-CD1 3.45Å; V21-F54 VanDerWaalsContact CG1-CD1 3.45Å; V21-F54 HydrophobicContact CG1-CE1 3.93Å; V21-F54 HydrophobicContact CG1-CG 3.83Å; A22-F54 HydrophobicContact CB-CE2 3.7Å; A22-F54 HydrophobicContact CB-CZ 4.05Å; I25-F54 HydrophobicContact CD1-CD1 4.17Å; I25-F54 HydrophobicContact CD1-CE1 3.37Å; I25-F54 HydrophobicContact CD1-CZ 4Å; T50-F54 PolarHBondContact O-N 2.89Å; V51-F54 WeakPolarHBondContact O-CB 3.47Å; V51-F54 PolarHBondContact O-N 3.25Å; F54-R56 VanDerWaalsContact C-N 3.27Å; F54-R56 PolarHBondContact O-N 3.34Å; F54-S57 PolarHBondContact O-N 2.79Å; F54-S57 PolarHBondContact O-OG 2.9Å; F54-M58 HydrophobicContact CD2-CE 4.08Å; F54-M58 HydrophobicContact CE1-CG 4.41Å; F54-M58 HydrophobicContact CE2-CE 3.3Å; F54-M58 HydrophobicContact CE2-CG 4.26Å; F54-M58 HydrophobicContact CZ-CE 3.78Å; F54-M58 HydrophobicContact CZ-CG 4.11Å; F54-M58 WeakPolarHBondContact O-CG 3.28Å; F54-M58 PolarHBondContact O-N 3.21Å; F54-F66 AromaticContact CE1-CE2 3.94Å; F54-F66 HydrophobicContact CE1-CE2 3.94Å; F54-F66 AromaticContact CE1-CZ 3.85Å; F54-F66 HydrophobicContact CE1-CZ 3.85Å
55C97.3Very high96.5Very high0 Ų060.7 Ų60.70%031%0.306CS..Hα-helixtrans-60-40178.3-67.50000112V51 N52 R53 M58 T60 F66V51-C55 PolarHBondContact O-N 3.17Å; V51-C55 PolarHBondContact O-SG 3.25Å; N52-C55 PolarHBondContact O-N 3.09Å; R53-C55 PolarHBondContact O-N 2.95Å; C55-M58 WeakPolarHBondContact O-CB 3.36Å; C55-M58 PolarHBondContact O-N 2.99Å; C55-T60 VanDerWaalsContact C-OG1 3.26Å; C55-T60 PolarHBondContact O-N 2.94Å; C55-T60 PolarHBondContact O-OG1 3.05Å; C55-F66 HydrophobicContact CB-CB 3.78Å; C55-F66 HydrophobicContact CB-CD2 4.35Å; C55-F66 HydrophobicContact CB-CG 4.11Å; C55-F66 VanDerWaalsContact SG-CG 3.56Å
56R95.5Very high96.5Very high154 Ų15454.7 Ų54.758%0.58127%0.274SS*.Hα-helixtrans-67.7-36.7176.6-74.3176.9173.2-167-1.5113.2N52 R53 F54 M58 D59 T60N52-R56 WeakPolarHBondContact O-CG 3.46Å; N52-R56 PolarHBondContact O-N 3.48Å; R53-R56 PolarHBondContact O-N 3.29Å; R53-R56 VanDerWaalsContact O-N 3.15Å; F54-R56 VanDerWaalsContact C-N 3.27Å; F54-R56 PolarHBondContact O-N 3.34Å; R56-M58 PolarHBondContact O-N 2.87Å; R56-D59 PolarHBondContact O-N 3.34Å; R56-D59 VanDerWaalsContact O-N 3.08Å; R56-T60 WeakPolarHBondContact CA-O 3.41Å
57S94.6Very high96.4Very high57 Ų5755.7 Ų55.740%0.39928%0.276SS..Hα-helixtrans-66.1-15.717473.90000112.6R53 F54 D59R53-S57 PolarHBondContact O-N 3.41Å; F54-S57 PolarHBondContact O-N 2.79Å; F54-S57 PolarHBondContact O-OG 2.9Å; S57-D59 VanDerWaalsContact C-N 3.3Å
58M94.8Very high96.2Very high2 Ų257.5 Ų57.51%0.0128%0.28CS..THydrogen-bonded Turntrans-90.619.1172.5-61.9-6017200113.5M3 K6 I7 Q10 L14 F54 C55 R56 F66M3-M58 HydrophobicContact SD-CB 4.1Å; K6-M58 HydrophobicContact CD-SD 4.48Å; K6-M58 HydrophobicContact CG-SD 4.26Å; K6-M58 VanDerWaalsContact NZ-C 3.29Å; K6-M58 PolarHBondContact NZ-O 2.96Å; I7-M58 HydrophobicContact CB-CE 4.42Å; I7-M58 HydrophobicContact CG1-CE 4.12Å; I7-M58 HydrophobicContact CG1-CG 4.48Å; I7-M58 HydrophobicContact CG1-SD 4.21Å; I7-M58 HydrophobicContact CG2-CE 4.5Å; Q10-M58 HydrophobicContact CB-CE 4.11Å; L14-M58 HydrophobicContact CD1-CE 4.1Å; L14-M58 HydrophobicContact CD2-CE 3.92Å; F54-M58 HydrophobicContact CD2-CE 4.08Å; F54-M58 HydrophobicContact CE1-CG 4.41Å; F54-M58 HydrophobicContact CE2-CE 3.3Å; F54-M58 HydrophobicContact CE2-CG 4.26Å; F54-M58 HydrophobicContact CZ-CE 3.78Å; F54-M58 HydrophobicContact CZ-CG 4.11Å; F54-M58 WeakPolarHBondContact O-CG 3.28Å; F54-M58 PolarHBondContact O-N 3.21Å; C55-M58 WeakPolarHBondContact O-CB 3.36Å; C55-M58 PolarHBondContact O-N 2.99Å; R56-M58 PolarHBondContact O-N 2.87Å; M58-F66 HydrophobicContact CB-CD2 4.29Å; M58-F66 HydrophobicContact CB-CE2 4.31Å; M58-F66 HydrophobicContact CG-CE2 4.3Å
59D92.9Very high96Very high133 Ų13356.2 Ų56.271%0.71128%0.275SS*.THydrogen-bonded Turntrans59.839.8-178.1-55.8-47.7000113.8K6 R56 S57K6-D59 IonicContact NZ-OD2 3.01Å; K6-D59 PolarHBondContact NZ-OD2 3.45Å; R56-D59 PolarHBondContact O-N 3.34Å; R56-D59 VanDerWaalsContact O-N 3.08Å; S57-D59 VanDerWaalsContact C-N 3.3Å
60T96Very high95.8Very high10 Ų1052.6 Ų52.66%0.06125%0.251CS..SBendtrans-121.4158.3174.874.70000111.2M3 C55 R56 G62 F66M3-T60 HydrophobicContact CE-CG2 3.72Å; C55-T60 VanDerWaalsContact C-OG1 3.26Å; C55-T60 PolarHBondContact O-N 2.94Å; C55-T60 PolarHBondContact O-OG1 3.05Å; R56-T60 WeakPolarHBondContact CA-O 3.41Å; T60-G62 PolarHBondContact O-N 3.13Å; T60-F66 HydrophobicContact CG2-CB 4.24Å; T60-F66 HydrophobicContact CG2-CD2 4.29Å; T60-F66 WeakPolarHBondContact OG1-CB 3.29Å
61R94.1Very high95.5Very high198 Ų19853.9 Ų53.975%0.74726%0.263SS*.SBendtrans-73.4-10.8-175.4-64172.7-68.5171.21.4113.6D65R61-D65 HydrophobicContact CB-CB 4.09Å; R61-D65 WeakPolarHBondContact CB-OD2 3.46Å; R61-D65 WeakPolarHBondContact CG-OD2 3.4Å; R61-D65 IonicContact CZ-OD1 3.42Å; R61-D65 IonicContact CZ-OD2 3.97Å; R61-D65 PolarHBondContact N-OD2 3.2Å; R61-D65 VanDerWaalsContact NE-CG 3.34Å; R61-D65 IonicContact NE-OD1 3.28Å; R61-D65 PolarHBondContact NE-OD1 3Å; R61-D65 IonicContact NE-OD2 3.07Å; R61-D65 PolarHBondContact NE-OD2 3.25Å; R61-D65 IonicContact NH2-OD1 2.71Å; R61-D65 PolarHBondContact NH2-OD1 3.34Å; R61-D65 IonicContact NH2-OD2 3.97Å
62G95.1Very high95.1Very high5 Ų558.5 Ų58.55%0.05228%0.284CS..SBendtrans150.9-172.6-18000000111.2N52 T60 D65 F66N52-G62 WeakPolarHBondContact OD1-CA 3.21Å; T60-G62 PolarHBondContact O-N 3.13Å; G62-D65 PolarHBondContact O-N 3.09Å; G62-F66 WeakPolarHBondContact O-CB 3.41Å; G62-F66 PolarHBondContact O-N 3.18Å
63F97Very high94.5Very high10 Ų1056.7 Ų56.74%0.04428%0.276CS..Hα-helixtrans-56-44.7-172.6-172.9-109.7000115.4S35 I37 M40 V51 N52 D65 F66 K67S35-F63 WeakPolarHBondContact O-CE1 3.46Å; I37-F63 HydrophobicContact CB-CB 4.45Å; I37-F63 HydrophobicContact CB-CD1 3.65Å; I37-F63 HydrophobicContact CB-CE1 4Å; I37-F63 HydrophobicContact CB-CG 4.05Å; I37-F63 HydrophobicContact CD1-CB 3.91Å; I37-F63 HydrophobicContact CD1-CG 4.3Å; I37-F63 HydrophobicContact CG1-CB 4.26Å; I37-F63 HydrophobicContact CG1-CD1 4.23Å; I37-F63 HydrophobicContact CG1-CG 4.1Å; I37-F63 VanDerWaalsContact N-CE1 3.3Å; M40-F63 HydrophobicContact CB-CE2 4.2Å; M40-F63 HydrophobicContact CB-CZ 4.07Å; M40-F63 HydrophobicContact CG-CE2 4.03Å; M40-F63 HydrophobicContact CG-CZ 4.36Å; V51-F63 HydrophobicContact CG1-CD2 3.72Å; V51-F63 HydrophobicContact CG1-CE2 3.97Å; N52-F63 PolarHBondContact OD1-N 3.4Å; F63-D65 PolarHBondContact O-N 3.07Å; F63-F66 WeakPolarHBondContact O-CB 3.26Å; F63-F66 PolarHBondContact O-N 3.24Å; F63-K67 HydrophobicContact CD1-CD 4.26Å; F63-K67 HydrophobicContact CD1-CG 4.44Å; F63-K67 HydrophobicContact CE1-CD 3.58Å; F63-K67 HydrophobicContact CE1-CG 4.12Å; F63-K67 HydrophobicContact CE2-CD 4.36Å; F63-K67 HydrophobicContact CE2-CG 4.24Å; F63-K67 HydrophobicContact CZ-CD 3.65Å; F63-K67 HydrophobicContact CZ-CG 4.02Å; F63-K67 WeakPolarHBondContact O-CG 3.46Å; F63-K67 PolarHBondContact O-N 3.28Å
64P95.7Very high93.9Very high103 Ų10351.9 Ų51.967%0.66926%0.26SS*.Hα-helixtrans-62.9-40.1178.5-23.735.1000113.6K67 L68P64-K67 PolarHBondContact O-N 3.22Å; P64-L68 PolarHBondContact O-N 3.45Å; P64-L68 VanDerWaalsContact O-N 3.17Å
65D96.3Very high93.1Very high20 Ų2055.6 Ų55.611%0.10729%0.291CS..Hα-helixtrans-67.8-41.1178.2-163.750.2000110.8R61 G62 F63 K67 L68 H69R61-D65 HydrophobicContact CB-CB 4.09Å; R61-D65 WeakPolarHBondContact CB-OD2 3.46Å; R61-D65 WeakPolarHBondContact CG-OD2 3.4Å; R61-D65 IonicContact CZ-OD1 3.42Å; R61-D65 IonicContact CZ-OD2 3.97Å; R61-D65 PolarHBondContact N-OD2 3.2Å; R61-D65 VanDerWaalsContact NE-CG 3.34Å; R61-D65 IonicContact NE-OD1 3.28Å; R61-D65 PolarHBondContact NE-OD1 3Å; R61-D65 IonicContact NE-OD2 3.07Å; R61-D65 PolarHBondContact NE-OD2 3.25Å; R61-D65 IonicContact NH2-OD1 2.71Å; R61-D65 PolarHBondContact NH2-OD1 3.34Å; R61-D65 IonicContact NH2-OD2 3.97Å; G62-D65 PolarHBondContact O-N 3.09Å; F63-D65 PolarHBondContact O-N 3.07Å; D65-K67 PolarHBondContact O-N 3.35Å; D65-L68 WeakPolarHBondContact O-CB 3.44Å; D65-L68 PolarHBondContact O-N 2.83Å; D65-H69 PolarHBondContact O-CD2 2.63Å; D65-H69 VanDerWaalsContact O-CD2 3.24Å; D65-H69 PolarHBondContact O-N 3.25Å; D65-H69 VanDerWaalsContact O-N 3.1Å
66F97Very high91.6Very high1 Ų161.9 Ų61.90%0.00432%0.324CS..Hα-helixtrans-56.7-47.6171.4175.4-92.4000112.6M3 I7 I25 F54 C55 M58 T60 G62 F63 L68 H69 L70M3-F66 HydrophobicContact CE-CD2 4.27Å; M3-F66 HydrophobicContact CE-CE2 4.45Å; M3-F66 HydrophobicContact CG-CE2 3.92Å; M3-F66 HydrophobicContact CG-CZ 4.36Å; M3-F66 HydrophobicContact SD-CD2 4.1Å; M3-F66 HydrophobicContact SD-CE2 3.7Å; I7-F66 HydrophobicContact CD1-CE2 3.93Å; I7-F66 HydrophobicContact CD1-CZ 3.64Å; I7-F66 HydrophobicContact CG1-CE2 4.47Å; I25-F66 HydrophobicContact CD1-CE1 3.71Å; I25-F66 HydrophobicContact CD1-CZ 3.74Å; I25-F66 HydrophobicContact CG2-CZ 4.32Å; F54-F66 AromaticContact CE1-CE2 3.94Å; F54-F66 HydrophobicContact CE1-CE2 3.94Å; F54-F66 AromaticContact CE1-CZ 3.85Å; F54-F66 HydrophobicContact CE1-CZ 3.85Å; C55-F66 HydrophobicContact CB-CB 3.78Å; C55-F66 HydrophobicContact CB-CD2 4.35Å; C55-F66 HydrophobicContact CB-CG 4.11Å; C55-F66 VanDerWaalsContact SG-CG 3.56Å; M58-F66 HydrophobicContact CB-CD2 4.29Å; M58-F66 HydrophobicContact CB-CE2 4.31Å; M58-F66 HydrophobicContact CG-CE2 4.3Å; T60-F66 HydrophobicContact CG2-CB 4.24Å; T60-F66 HydrophobicContact CG2-CD2 4.29Å; T60-F66 WeakPolarHBondContact OG1-CB 3.29Å; G62-F66 WeakPolarHBondContact O-CB 3.41Å; G62-F66 PolarHBondContact O-N 3.18Å; F63-F66 WeakPolarHBondContact O-CB 3.26Å; F63-F66 PolarHBondContact O-N 3.24Å; F66-L68 VanDerWaalsContact C-N 3.27Å; F66-L68 PolarHBondContact O-N 2.98Å; F66-H69 PolarHBondContact O-N 2.85Å; F66-L70 HydrophobicContact CE1-CB 4.4Å; F66-L70 HydrophobicContact CE1-CD2 3.89Å; F66-L70 HydrophobicContact CZ-CD2 4.37Å; F66-L70 WeakPolarHBondContact O-CB 3.41Å; F66-L70 PolarHBondContact O-N 3.24Å
67K96Very high89.6Confident49 Ų4957.7 Ų57.721%0.21333%0.329CS..Hα-helixtrans-61.9-34.8177.9-67.3-158.3-54.91650112.5A32 I33 S35 F63 P64 D65 L70 A71A32-K67 WeakPolarHBondContact O-CD 3.08Å; I33-K67 VanDerWaalsContact O-CD 3.31Å; I33-K67 WeakPolarHBondContact O-CD 3.44Å; I33-K67 PolarHBondContact O-NZ 3.35Å; S35-K67 PolarHBondContact O-NZ 2.64Å; F63-K67 HydrophobicContact CD1-CD 4.26Å; F63-K67 HydrophobicContact CD1-CG 4.44Å; F63-K67 HydrophobicContact CE1-CD 3.58Å; F63-K67 HydrophobicContact CE1-CG 4.12Å; F63-K67 HydrophobicContact CE2-CD 4.36Å; F63-K67 HydrophobicContact CE2-CG 4.24Å; F63-K67 HydrophobicContact CZ-CD 3.65Å; F63-K67 HydrophobicContact CZ-CG 4.02Å; F63-K67 WeakPolarHBondContact O-CG 3.46Å; F63-K67 PolarHBondContact O-N 3.28Å; P64-K67 PolarHBondContact O-N 3.22Å; D65-K67 PolarHBondContact O-N 3.35Å; K67-L70 PolarHBondContact O-N 2.97Å; K67-A71 VanDerWaalsContact O-CB 3.27Å; K67-A71 WeakPolarHBondContact O-CB 3.15Å; K67-A71 PolarHBondContact O-N 3.41Å
68L94.2Very high87.6Confident97 Ų9757.8 Ų57.851%0.50833%0.327SS..Hα-helixtrans-63-49.4174.7-172.476.4000111.2P64 D65 F66 L70 A71 Q72P64-L68 PolarHBondContact O-N 3.45Å; P64-L68 VanDerWaalsContact O-N 3.17Å; D65-L68 WeakPolarHBondContact O-CB 3.44Å; D65-L68 PolarHBondContact O-N 2.83Å; F66-L68 VanDerWaalsContact C-N 3.27Å; F66-L68 PolarHBondContact O-N 2.98Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 2.91Å; L68-A71 PolarHBondContact O-N 3.04Å; L68-Q72 WeakPolarHBondContact O-CG 3.27Å; L68-Q72 PolarHBondContact O-N 2.84Å
69H93.1Very high85.6Confident70 Ų7062 Ų6232%0.32436%0.355SS..Hα-helixtrans-64.4-35.6177.2-77.4-70.9000112.8M3 D65 F66 S73M3-H69 HydrophobicContact CE-CB 3.56Å; D65-H69 PolarHBondContact O-CD2 2.63Å; D65-H69 VanDerWaalsContact O-CD2 3.24Å; D65-H69 PolarHBondContact O-N 3.25Å; D65-H69 VanDerWaalsContact O-N 3.1Å; F66-H69 PolarHBondContact O-N 2.85Å; H69-S73 WeakPolarHBondContact O-CB 3.49Å; H69-S73 PolarHBondContact O-N 3.38Å; H69-S73 PolarHBondContact O-OG 3.37Å
70L93.3Very high83.9Confident0 Ų057.9 Ų57.90%033%0.329CS..Hα-helixtrans-68.1-41173.9-177.761.4000111.9M3 L4 I25 A32 I33 F66 K67 L68 S73 L74M3-L70 HydrophobicContact CG-CB 4.43Å; M3-L70 HydrophobicContact CG-CD1 4.35Å; L4-L70 HydrophobicContact CD1-CD1 3.96Å; L4-L70 HydrophobicContact CD2-CD1 3.69Å; L4-L70 HydrophobicContact CG-CD1 3.59Å; I25-L70 HydrophobicContact CG2-CD1 4.5Å; I25-L70 HydrophobicContact CG2-CD2 3.9Å; A32-L70 HydrophobicContact CB-CD2 3.98Å; I33-L70 HydrophobicContact CG2-CB 4.01Å; I33-L70 HydrophobicContact CG2-CD2 3.67Å; I33-L70 HydrophobicContact CG2-CG 3.61Å; F66-L70 HydrophobicContact CE1-CB 4.4Å; F66-L70 HydrophobicContact CE1-CD2 3.89Å; F66-L70 HydrophobicContact CZ-CD2 4.37Å; F66-L70 WeakPolarHBondContact O-CB 3.41Å; F66-L70 PolarHBondContact O-N 3.24Å; K67-L70 PolarHBondContact O-N 2.97Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 2.91Å; L70-S73 WeakPolarHBondContact O-CB 3.46Å; L70-S73 PolarHBondContact O-N 3.01Å; L70-L74 WeakPolarHBondContact O-CG 3.22Å; L70-L74 PolarHBondContact O-N 2.87Å
71A92Very high82.1Confident37 Ų3759 Ų5931%0.30634%0.336SS..Hα-helixtrans-66.5-42.5176.200000112I33 K67 L68 S73 L74 A75I33-A71 HydrophobicContact CG2-CB 4.15Å; K67-A71 VanDerWaalsContact O-CB 3.27Å; K67-A71 WeakPolarHBondContact O-CB 3.15Å; K67-A71 PolarHBondContact O-N 3.41Å; L68-A71 PolarHBondContact O-N 3.04Å; A71-S73 PolarHBondContact O-N 3.35Å; A71-L74 PolarHBondContact O-N 3.38Å; A71-A75 WeakPolarHBondContact O-CB 3.45Å; A71-A75 PolarHBondContact O-N 2.98Å
72Q89.4Confident80.6Confident97 Ų9752 Ų5245%0.45331%0.313SS..Hα-helixtrans-59.2-39.5173-73.9174.1-21.900111.9L68 A75 N76L68-Q72 WeakPolarHBondContact O-CG 3.27Å; L68-Q72 PolarHBondContact O-N 2.84Å; Q72-A75 PolarHBondContact O-N 3.01Å; Q72-N76 PolarHBondContact O-N 3.09Å
73S85.8Confident79.1Confident12 Ų1254.9 Ų54.98%0.08432%0.323CS..Hα-helixtrans-61.5-42.5175.6-77.90000112.4N2 M3 H69 L70 A71N2-S73 VanDerWaalsContact ND2-C 3.29Å; N2-S73 WeakPolarHBondContact ND2-CA 3.43Å; N2-S73 VanDerWaalsContact ND2-CB 3.33Å; N2-S73 WeakPolarHBondContact ND2-CB 3.45Å; N2-S73 PolarHBondContact ND2-O 3.2Å; N2-S73 WeakPolarHBondContact OD1-CB 3.29Å; N2-S73 PolarHBondContact OD1-OG 2.83Å; M3-S73 VanDerWaalsContact CB-OG 3.23Å; M3-S73 WeakPolarHBondContact CB-OG 3.36Å; M3-S73 PolarHBondContact N-OG 3.16Å; H69-S73 WeakPolarHBondContact O-CB 3.49Å; H69-S73 PolarHBondContact O-N 3.38Å; H69-S73 PolarHBondContact O-OG 3.37Å; L70-S73 WeakPolarHBondContact O-CB 3.46Å; L70-S73 PolarHBondContact O-N 3.01Å; A71-S73 PolarHBondContact O-N 3.35Å
74L83.5Confident78Confident35 Ų3558.5 Ų58.518%0.18334%0.342CS..Hα-helixtrans-71-32175-67.8167.8000112.6L4 P29 I33 L70 A71L4-L74 HydrophobicContact CD1-CD2 3.74Å; L4-L74 HydrophobicContact CD1-CG 4.34Å; P29-L74 HydrophobicContact CB-CD1 4.01Å; P29-L74 HydrophobicContact CB-CD2 3.86Å; P29-L74 HydrophobicContact CB-CG 4.41Å; I33-L74 HydrophobicContact CD1-CD1 4.15Å; I33-L74 HydrophobicContact CG1-CD1 4.48Å; I33-L74 HydrophobicContact CG2-CD1 3.95Å; L70-L74 WeakPolarHBondContact O-CG 3.22Å; L70-L74 PolarHBondContact O-N 2.87Å; A71-L74 PolarHBondContact O-N 3.38Å
75A80.5Confident77.2Confident78 Ų7857.4 Ų57.465%0.64533%0.334SS*.Hα-helixtrans-74-25-178.300000114.4A71 Q72 G77A71-A75 WeakPolarHBondContact O-CB 3.45Å; A71-A75 PolarHBondContact O-N 2.98Å; Q72-A75 PolarHBondContact O-N 3.01Å; A75-G77 PolarHBondContact O-N 2.67Å
76N67Low76.5Confident131 Ų13160.2 Ų60.270%0.70135%0.349SS*.SBendtrans-73.726.5-175.2-77.6-16.6000115.1Q72 T78Q72-N76 PolarHBondContact O-N 3.09Å; N76-T78 VanDerWaalsContact C-N 3.3Å; N76-T78 PolarHBondContact O-N 3.13Å; N76-T78 VanDerWaalsContact O-N 3.1Å
77G52.1Low76Confident66 Ų6669.6 Ų69.668%0.6839%0.393SS*.SBendtrans81.9-13.4155.900000117A75 P79A75-G77 PolarHBondContact O-N 2.67Å; G77-P79 VanDerWaalsContact O-CD 3.3Å; G77-P79 WeakPolarHBondContact O-CD 3.4Å
78T53.9Low75.7Confident60 Ų6074.9 Ų74.937%0.36842%0.423SS..SBendtrans-94.1106.1163.2-25.70000107.2N76 Y80 A104N76-T78 VanDerWaalsContact C-N 3.3Å; N76-T78 PolarHBondContact O-N 3.13Å; N76-T78 VanDerWaalsContact O-N 3.1Å; T78-Y80 PolarHBondContact O-N 3.4Å; T78-Y80 VanDerWaalsContact O-N 3.11Å; T78-A104 HydrophobicContact CG2-CB 3.82Å
79P52.6Low75.3Confident90 Ų9071.7 Ų71.758%0.58441%0.407SS*.  trans-51.2127.2171.9-5.26.8000107.8G77 V81G77-P79 VanDerWaalsContact O-CD 3.3Å; G77-P79 WeakPolarHBondContact O-CD 3.4Å; P79-V81 HydrophobicContact CB-CG2 4.05Å; P79-V81 PolarHBondContact O-N 3.19Å
80Y56.9Low75.3Confident47 Ų4771.6 Ų71.618%0.18441%0.414CS..  trans-69.690.3164.7179.5-93.6000106.3L4 L26 P29 T78L4-Y80 HydrophobicContact CB-CD2 3.45Å; L4-Y80 VanDerWaalsContact CB-CD2 3.45Å; L4-Y80 HydrophobicContact CB-CE2 3.59Å; L4-Y80 HydrophobicContact CB-CG 4.05Å; L4-Y80 HydrophobicContact CD1-CD1 3.89Å; L4-Y80 HydrophobicContact CD1-CD2 3.71Å; L4-Y80 HydrophobicContact CD1-CE2 4.47Å; L4-Y80 HydrophobicContact CD1-CG 3.37Å; L4-Y80 HydrophobicContact CD2-CD1 4.38Å; L4-Y80 HydrophobicContact CD2-CE1 4.35Å; L4-Y80 HydrophobicContact CD2-CG 4.46Å; L4-Y80 HydrophobicContact CG-CD2 4.06Å; L4-Y80 HydrophobicContact CG-CE2 4.39Å; L4-Y80 HydrophobicContact CG-CG 4.14Å; L26-Y80 WeakPolarHBondContact CD2-OH 3.46Å; P29-Y80 HydrophobicContact CG-CD1 3.63Å; P29-Y80 HydrophobicContact CG-CE1 3.98Å; T78-Y80 PolarHBondContact O-N 3.4Å; T78-Y80 VanDerWaalsContact O-N 3.11Å
81V58.4Low75.3Confident33 Ų3376.1 Ų76.120%0.244%0.441CS..  trans-79.5131.9165.1-172.50000105.6P79 R83 K97 E100P79-V81 HydrophobicContact CB-CG2 4.05Å; P79-V81 PolarHBondContact O-N 3.19Å; V81-R83 WeakPolarHBondContact O-CG 3.26Å; V81-R83 PolarHBondContact O-N 3.17Å; V81-K97 HydrophobicContact CG1-CG 4.24Å; V81-E100 HydrophobicContact CB-CB 4.5Å; V81-E100 WeakPolarHBondContact CG1-OE2 3.47Å; V81-E100 HydrophobicContact CG2-CB 4.35Å; V81-E100 HydrophobicContact CG2-CG 4.46Å; V81-E100 WeakPolarHBondContact CG2-OE2 3.45Å
82N62.2Low75.3Confident50 Ų5082.4 Ų82.427%0.26746%0.464SS..  trans-59.596.6163.7-177.3-11.1000107.7N84 K97N82-N84 PolarHBondContact O-N 3.28Å; N82-N84 VanDerWaalsContact OD1-CB 3.3Å; N82-N84 WeakPolarHBondContact OD1-CB 3.26Å; N82-N84 PolarHBondContact OD1-N 3.49Å; N82-N84 VanDerWaalsContact OD1-N 3.09Å; N82-K97 VanDerWaalsContact O-CD 3.32Å; N82-K97 WeakPolarHBondContact O-CD 3.35Å; N82-K97 WeakPolarHBondContact O-CE 3.39Å; N82-K97 WeakPolarHBondContact O-CG 3.34Å
83R64.9Low75.1Confident66 Ų6680 Ų8025%0.24946%0.458CS..  trans-72.8-7.1-176.9-68.9168.2-166.3175.821.5112.5V81 V85V81-R83 WeakPolarHBondContact O-CG 3.26Å; V81-R83 PolarHBondContact O-N 3.17Å; R83-V85 PolarHBondContact O-N 3.41Å
84N72.3Confident75.3Confident86 Ų8683.4 Ų83.446%0.4647%0.47SS..PPolyproline II helixtrans-75.8121.1177.9-61.8-26.1000108.8N82 N86 K97N82-N84 PolarHBondContact O-N 3.28Å; N82-N84 VanDerWaalsContact OD1-CB 3.3Å; N82-N84 WeakPolarHBondContact OD1-CB 3.26Å; N82-N84 PolarHBondContact OD1-N 3.49Å; N82-N84 VanDerWaalsContact OD1-N 3.09Å; N84-N86 PolarHBondContact O-N 3.11Å; N84-K97 WeakPolarHBondContact O-CD 3.43Å; N84-K97 PolarHBondContact O-NZ 2.96Å
85V80.3Confident75.6Confident80 Ų8084.4 Ų84.449%0.48548%0.478SS..PPolyproline II helixtrans-72.3123.6167.81790000107.6R83 D89 Y94 I98R83-V85 PolarHBondContact O-N 3.41Å; V85-D89 WeakPolarHBondContact CA-OD2 3.45Å; V85-Y94 HydrophobicContact CG1-CG 4.43Å; V85-I98 HydrophobicContact CG2-CG1 4.12Å
86N81.4Confident75.9Confident79 Ų7982 Ų8242%0.42246%0.46SS..PPolyproline II helixtrans-99.7157175.5-55-53.7000110.1N84 D88 D89 K97N84-N86 PolarHBondContact O-N 3.11Å; N86-D88 PolarHBondContact O-N 2.91Å; N86-D89 PolarHBondContact N-OD2 2.91Å; N86-D89 PolarHBondContact ND2-OD1 3.35Å; N86-D89 WeakPolarHBondContact O-CB 3.46Å; N86-D89 PolarHBondContact O-N 3.44Å; N86-D89 VanDerWaalsContact O-N 3.14Å; N86-K97 PolarHBondContact ND2-NZ 3Å
87E86.4Confident76.9Confident199 Ų19976.7 Ų76.793%0.9343%0.431SS*.THydrogen-bonded Turntrans-59.5-33.7179.9-169.8170.9-17500112.8
88D89.9Confident78.6Confident159 Ų15977.9 Ų77.985%0.8542%0.42SS*.THydrogen-bonded Turntrans-89.64.7-179.6-59.9-47.1000114.2N86 S90N86-D88 PolarHBondContact O-N 2.91Å; D88-S90 PolarHBondContact O-N 3.47Å
89D86.1Confident80.3Confident31 Ų3181.4 Ų81.417%0.16643%0.431CS..  trans-67134.6-179.7-75.5-19.5000111.2V85 N86 Y94 K97V85-D89 WeakPolarHBondContact CA-OD2 3.45Å; N86-D89 PolarHBondContact N-OD2 2.91Å; N86-D89 PolarHBondContact ND2-OD1 3.35Å; N86-D89 WeakPolarHBondContact O-CB 3.46Å; N86-D89 PolarHBondContact O-N 3.44Å; N86-D89 VanDerWaalsContact O-N 3.14Å; D89-Y94 HydrophobicContact CB-CD1 4.43Å; D89-K97 IonicContact OD1-NZ 2.87Å; D89-K97 PolarHBondContact OD1-NZ 3.32Å; D89-K97 WeakPolarHBondContact OD2-CD 3.16Å; D89-K97 WeakPolarHBondContact OD2-CE 3.4Å; D89-K97 IonicContact OD2-NZ 2.69Å; D89-K97 PolarHBondContact OD2-NZ 3.21Å
90S92.1Very high82Confident67 Ų6781 Ų8147%0.46942%0.421SS..  trans-66.4158.916974.10000111.3D88 E92 S93 Y94D88-S90 PolarHBondContact O-N 3.47Å; S90-E92 PolarHBondContact O-N 3.21Å; S90-S93 WeakPolarHBondContact O-CB 3.48Å; S90-S93 PolarHBondContact O-N 2.93Å; S90-S93 WeakPolarHBondContact OG-CB 3.39Å; S90-S93 PolarHBondContact OG-N 3.09Å; S90-S93 VanDerWaalsContact OG-N 3.15Å; S90-Y94 VanDerWaalsContact O-CD1 3.24Å; S90-Y94 WeakPolarHBondContact O-CD1 3.3Å; S90-Y94 PolarHBondContact O-N 2.87Å
91V94.2Very high83.2Confident95 Ų9580.4 Ų80.458%0.57642%0.424SS*.Hα-helixtrans-52.6-43.6175177.50000112.2Y94 T95V91-Y94 HydrophobicContact CB-CE1 4.14Å; V91-Y94 HydrophobicContact CG2-CE1 3.96Å; V91-T95 WeakPolarHBondContact O-CB 3.32Å; V91-T95 PolarHBondContact O-N 3.21Å; V91-T95 PolarHBondContact O-OG1 3.23Å
92E91.2Very high84.6Confident170 Ų17081.2 Ų81.279%0.79443%0.434SS*.Hα-helixtrans-62.5-44.8176.2-175.5173.9-167.600111.6S90 G96S90-E92 PolarHBondContact O-N 3.21Å; E92-G96 PolarHBondContact O-N 3.38Å; E92-G96 VanDerWaalsContact O-N 3.09Å
93S85.9Confident85.9Confident46 Ų4685 Ų8532%0.32245%0.452SS..Hα-helixtrans-64.6-54.3-179.1-1730000112.4S90 T95 G96 K97S90-S93 WeakPolarHBondContact O-CB 3.48Å; S90-S93 PolarHBondContact O-N 2.93Å; S90-S93 WeakPolarHBondContact OG-CB 3.39Å; S90-S93 PolarHBondContact OG-N 3.09Å; S90-S93 VanDerWaalsContact OG-N 3.15Å; S93-T95 VanDerWaalsContact C-N 3.27Å; S93-T95 PolarHBondContact O-N 2.8Å; S93-G96 PolarHBondContact O-N 3.45Å; S93-K97 WeakPolarHBondContact O-CG 3.4Å; S93-K97 PolarHBondContact O-N 3.15Å
94Y88.8Confident86.7Confident83 Ų8382.2 Ų82.233%0.32544%0.443SS..Hα-helixtrans-68.7-29.1-178.673.9-116.8000111.9V85 D89 S90 V91 K97 I98V85-Y94 HydrophobicContact CG1-CG 4.43Å; D89-Y94 HydrophobicContact CB-CD1 4.43Å; S90-Y94 VanDerWaalsContact O-CD1 3.24Å; S90-Y94 WeakPolarHBondContact O-CD1 3.3Å; S90-Y94 PolarHBondContact O-N 2.87Å; V91-Y94 HydrophobicContact CB-CE1 4.14Å; V91-Y94 HydrophobicContact CG2-CE1 3.96Å; Y94-K97 PolarHBondContact O-N 3.22Å; Y94-I98 HydrophobicContact CD2-CD1 3.87Å; Y94-I98 WeakPolarHBondContact O-CB 3.45Å; Y94-I98 WeakPolarHBondContact O-CG1 3.39Å; Y94-I98 PolarHBondContact O-N 3.18Å
95T90.7Very high87.3Confident57 Ų5781.5 Ų81.535%0.3544%0.442SS..Hα-helixtrans-61.9-49.4174.3-63.50000110.1V91 S93 K97 I98 F99V91-T95 WeakPolarHBondContact O-CB 3.32Å; V91-T95 PolarHBondContact O-N 3.21Å; V91-T95 PolarHBondContact O-OG1 3.23Å; S93-T95 VanDerWaalsContact C-N 3.27Å; S93-T95 PolarHBondContact O-N 2.8Å; T95-K97 PolarHBondContact O-N 3.08Å; T95-I98 PolarHBondContact O-N 3.44Å; T95-F99 HydrophobicContact CG2-CD2 3.96Å; T95-F99 HydrophobicContact CG2-CE2 4.03Å; T95-F99 WeakPolarHBondContact O-CD2 3.24Å; T95-F99 PolarHBondContact O-N 2.82Å; T95-F99 VanDerWaalsContact O-N 3.17Å
96G87.8Confident87.8Confident27 Ų2783.6 Ų83.628%0.27845%0.45SS..Hα-helixtrans-54.6-51.9173.800000111.9E92 S93 I98 F99 E100E92-G96 PolarHBondContact O-N 3.38Å; E92-G96 VanDerWaalsContact O-N 3.09Å; S93-G96 PolarHBondContact O-N 3.45Å; G96-I98 VanDerWaalsContact C-N 3.35Å; G96-I98 PolarHBondContact O-N 3.45Å; G96-F99 PolarHBondContact O-N 3.41Å; G96-E100 WeakPolarHBondContact O-CB 3.46Å; G96-E100 VanDerWaalsContact O-CG 3.3Å; G96-E100 WeakPolarHBondContact O-CG 3.43Å; G96-E100 PolarHBondContact O-N 3.19Å
97K86.8Confident88.1Confident19 Ų1982.9 Ų82.98%0.08345%0.446CS..Hα-helixtrans-56.5-43.3179.4-69.3177.5176.3-176.90113.3V81 N82 N84 N86 D89 S93 Y94 T95 S101V81-K97 HydrophobicContact CG1-CG 4.24Å; N82-K97 VanDerWaalsContact O-CD 3.32Å; N82-K97 WeakPolarHBondContact O-CD 3.35Å; N82-K97 WeakPolarHBondContact O-CE 3.39Å; N82-K97 WeakPolarHBondContact O-CG 3.34Å; N84-K97 WeakPolarHBondContact O-CD 3.43Å; N84-K97 PolarHBondContact O-NZ 2.96Å; N86-K97 PolarHBondContact ND2-NZ 3Å; D89-K97 IonicContact OD1-NZ 2.87Å; D89-K97 PolarHBondContact OD1-NZ 3.32Å; D89-K97 WeakPolarHBondContact OD2-CD 3.16Å; D89-K97 WeakPolarHBondContact OD2-CE 3.4Å; D89-K97 IonicContact OD2-NZ 2.69Å; D89-K97 PolarHBondContact OD2-NZ 3.21Å; S93-K97 WeakPolarHBondContact O-CG 3.4Å; S93-K97 PolarHBondContact O-N 3.15Å; Y94-K97 PolarHBondContact O-N 3.22Å; T95-K97 PolarHBondContact O-N 3.08Å; K97-S101 WeakPolarHBondContact O-CB 3.39Å; K97-S101 PolarHBondContact O-N 2.98Å
98I87.8Confident88Confident91 Ų9177.7 Ų77.747%0.46742%0.421SS..Hα-helixtrans-63.6-48.6179.6-71.2166.9000110.6V85 Y94 T95 G96 S101 A102V85-I98 HydrophobicContact CG2-CG1 4.12Å; Y94-I98 HydrophobicContact CD2-CD1 3.87Å; Y94-I98 WeakPolarHBondContact O-CB 3.45Å; Y94-I98 WeakPolarHBondContact O-CG1 3.39Å; Y94-I98 PolarHBondContact O-N 3.18Å; T95-I98 PolarHBondContact O-N 3.44Å; G96-I98 VanDerWaalsContact C-N 3.35Å; G96-I98 PolarHBondContact O-N 3.45Å; I98-S101 PolarHBondContact O-N 3.49Å; I98-A102 PolarHBondContact O-N 3.28Å
99F90.7Very high88Confident135 Ų13573 Ų7359%0.59240%0.398SS*.Hα-helixtrans-65.8-45.4-179.8-85.7-79.9000112.1T95 G96 S101 A102 M103T95-F99 HydrophobicContact CG2-CD2 3.96Å; T95-F99 HydrophobicContact CG2-CE2 4.03Å; T95-F99 WeakPolarHBondContact O-CD2 3.24Å; T95-F99 PolarHBondContact O-N 2.82Å; T95-F99 VanDerWaalsContact O-N 3.17Å; G96-F99 PolarHBondContact O-N 3.41Å; F99-S101 VanDerWaalsContact C-N 3.3Å; F99-S101 PolarHBondContact O-N 3.29Å; F99-A102 PolarHBondContact O-N 2.96Å; F99-M103 WeakPolarHBondContact O-CB 3.39Å; F99-M103 WeakPolarHBondContact O-CG 3.39Å; F99-M103 PolarHBondContact O-N 2.85Å
100E86.8Confident88.3Confident80 Ų8079.9 Ų79.937%0.37442%0.422SS..Hα-helixtrans-64.4-37.4178.5-69.8167.9149.100111.5V81 G96 M103 A104V81-E100 HydrophobicContact CB-CB 4.5Å; V81-E100 WeakPolarHBondContact CG1-OE2 3.47Å; V81-E100 HydrophobicContact CG2-CB 4.35Å; V81-E100 HydrophobicContact CG2-CG 4.46Å; V81-E100 WeakPolarHBondContact CG2-OE2 3.45Å; G96-E100 WeakPolarHBondContact O-CB 3.46Å; G96-E100 VanDerWaalsContact O-CG 3.3Å; G96-E100 WeakPolarHBondContact O-CG 3.43Å; G96-E100 PolarHBondContact O-N 3.19Å; E100-M103 PolarHBondContact O-N 3.38Å; E100-A104 VanDerWaalsContact O-CB 3.31Å; E100-A104 WeakPolarHBondContact O-CB 3.36Å; E100-A104 PolarHBondContact O-N 2.73Å
101S83.4Confident88.2Confident35 Ų3582.4 Ų82.425%0.24543%0.426CS..Hα-helixtrans-61.7-46.2173.4-172.30000112.2K97 I98 F99 T105K97-S101 WeakPolarHBondContact O-CB 3.39Å; K97-S101 PolarHBondContact O-N 2.98Å; I98-S101 PolarHBondContact O-N 3.49Å; F99-S101 VanDerWaalsContact C-N 3.3Å; F99-S101 PolarHBondContact O-N 3.29Å; S101-T105 WeakPolarHBondContact O-CB 3.32Å; S101-T105 PolarHBondContact O-N 2.95Å; S101-T105 PolarHBondContact O-OG1 3.04Å
102A87.4Confident88Confident50 Ų5081.2 Ų81.241%0.41342%0.422SS..Hα-helixtrans-63.6-47.7177.200000111.7I98 F99 A104 T105 L106I98-A102 PolarHBondContact O-N 3.28Å; F99-A102 PolarHBondContact O-N 2.96Å; A102-A104 PolarHBondContact O-N 2.9Å; A102-T105 PolarHBondContact O-N 2.96Å; A102-L106 WeakPolarHBondContact O-CG 3.47Å; A102-L106 PolarHBondContact O-N 3.18Å
103M89.9Confident88.1Confident129 Ų12977.4 Ų77.464%0.63541%0.407SS*.Hα-helixtrans-59.2-47.8179.7-74174.863.800111.9F99 E100 T105 L106 D107F99-M103 WeakPolarHBondContact O-CB 3.39Å; F99-M103 WeakPolarHBondContact O-CG 3.39Å; F99-M103 PolarHBondContact O-N 2.85Å; E100-M103 PolarHBondContact O-N 3.38Å; M103-T105 VanDerWaalsContact C-N 3.34Å; M103-T105 PolarHBondContact O-N 3.28Å; M103-L106 PolarHBondContact O-N 2.9Å; M103-D107 PolarHBondContact O-N 3.46Å
104A81.5Confident88.7Confident8 Ų879.6 Ų79.67%0.06642%0.415CS..Hα-helixtrans-72.8-29.1-178.500000112.8T78 E100 A102 D107 H108T78-A104 HydrophobicContact CG2-CB 3.82Å; E100-A104 VanDerWaalsContact O-CB 3.31Å; E100-A104 WeakPolarHBondContact O-CB 3.36Å; E100-A104 PolarHBondContact O-N 2.73Å; A102-A104 PolarHBondContact O-N 2.9Å; A104-D107 PolarHBondContact O-N 2.95Å; A104-H108 WeakPolarHBondContact O-CB 3.39Å; A104-H108 PolarHBondContact O-N 3.1Å
105T84.1Confident89.1Confident71 Ų7184.2 Ų84.244%0.43644%0.437SS..Hα-helixtrans-64.2-44.9170.1-59.10000110.8S101 A102 M103 H108 V109S101-T105 WeakPolarHBondContact O-CB 3.32Å; S101-T105 PolarHBondContact O-N 2.95Å; S101-T105 PolarHBondContact O-OG1 3.04Å; A102-T105 PolarHBondContact O-N 2.96Å; M103-T105 VanDerWaalsContact C-N 3.34Å; M103-T105 PolarHBondContact O-N 3.28Å; T105-H108 PolarHBondContact O-N 3.43Å; T105-V109 VanDerWaalsContact O-CG2 3.3Å; T105-V109 WeakPolarHBondContact O-CG2 3.5Å; T105-V109 PolarHBondContact O-N 3.26Å
106L90.6Very high89.4Confident124 Ų12485.4 Ų85.465%0.64945%0.447SS*.Hα-helixtrans-63.1-42.2176.1-71.1172000112A102 M103 V109 R110A102-L106 WeakPolarHBondContact O-CG 3.47Å; A102-L106 PolarHBondContact O-N 3.18Å; M103-L106 PolarHBondContact O-N 2.9Å; L106-V109 PolarHBondContact O-N 3.02Å; L106-R110 WeakPolarHBondContact O-CB 3.34Å; L106-R110 PolarHBondContact O-N 3.23Å
107D88.7Confident89.9Confident64 Ų6486.5 Ų86.534%0.34245%0.453SS..Hα-helixtrans-65.1-40.6177.1-170.164.4000112.1M103 A104 R110 H111M103-D107 PolarHBondContact O-N 3.46Å; A104-D107 PolarHBondContact O-N 2.95Å; D107-R110 WeakPolarHBondContact O-CB 3.37Å; D107-R110 PolarHBondContact O-N 3.33Å; D107-H111 PolarHBondContact O-N 2.91Å; D107-H111 PolarHBondContact O-ND1 3.5Å; D107-H111 IonicContact OD1-CE1 3.17Å; D107-H111 PolarHBondContact OD1-CE1 3.48Å; D107-H111 IonicContact OD1-ND1 3.57Å; D107-H111 IonicContact OD2-CE1 3.5Å; D107-H111 IonicContact OD2-ND1 3.48Å; D107-H111 PolarHBondContact OD2-ND1 3.17Å
108H83.8Confident90.4Very high90 Ų9089.8 Ų89.842%0.41747%0.471SS..Hα-helixtrans-58.9-51.3173.2-177.783.3000111.3A104 T105 R110 H111 S112A104-H108 WeakPolarHBondContact O-CB 3.39Å; A104-H108 PolarHBondContact O-N 3.1Å; T105-H108 PolarHBondContact O-N 3.43Å; H108-R110 VanDerWaalsContact C-N 3.29Å; H108-R110 PolarHBondContact O-N 2.94Å; H108-H111 PolarHBondContact O-N 2.8Å; H108-H111 VanDerWaalsContact O-N 3.09Å; H108-S112 WeakPolarHBondContact O-CB 3.42Å; H108-S112 PolarHBondContact O-N 3.25Å; H108-S112 PolarHBondContact O-OG 3.47Å
109V90Very high90.9Very high60 Ų6090 Ų9036%0.36447%0.473SS..Hα-helixtrans-57.8-43.1178.31700000110.8T105 L106 H111 S112 L113T105-V109 VanDerWaalsContact O-CG2 3.3Å; T105-V109 WeakPolarHBondContact O-CG2 3.5Å; T105-V109 PolarHBondContact O-N 3.26Å; L106-V109 PolarHBondContact O-N 3.02Å; V109-H111 PolarHBondContact O-N 2.89Å; V109-S112 PolarHBondContact O-N 2.86Å; V109-L113 HydrophobicContact CG1-CD1 3.7Å; V109-L113 HydrophobicContact CG1-CD2 4.35Å; V109-L113 HydrophobicContact CG1-CG 3.77Å; V109-L113 WeakPolarHBondContact O-CB 3.25Å; V109-L113 WeakPolarHBondContact O-CG 3.17Å; V109-L113 PolarHBondContact O-N 3.31Å
110R92.7Very high91.3Very high176 Ų17692 Ų9266%0.66448%0.477SS*.Hα-helixtrans-54.2-39.6177.3-171.1-172.4102.51321.6112.5L106 D107 H108L106-R110 WeakPolarHBondContact O-CB 3.34Å; L106-R110 PolarHBondContact O-N 3.23Å; D107-R110 WeakPolarHBondContact O-CB 3.37Å; D107-R110 PolarHBondContact O-N 3.33Å; H108-R110 VanDerWaalsContact C-N 3.29Å; H108-R110 PolarHBondContact O-N 2.94Å
111H90Very high91.8Very high120 Ų12090.2 Ų90.256%0.55648%0.476SS*.Hα-helixtrans-88.7-21.9-177.8-64.6102.9000113.7D107 H108 V109D107-H111 PolarHBondContact O-N 2.91Å; D107-H111 PolarHBondContact O-ND1 3.5Å; D107-H111 IonicContact OD1-CE1 3.17Å; D107-H111 PolarHBondContact OD1-CE1 3.48Å; D107-H111 IonicContact OD1-ND1 3.57Å; D107-H111 IonicContact OD2-CE1 3.5Å; D107-H111 IonicContact OD2-ND1 3.48Å; D107-H111 PolarHBondContact OD2-ND1 3.17Å; H108-H111 PolarHBondContact O-N 2.8Å; H108-H111 VanDerWaalsContact O-N 3.09Å; V109-H111 PolarHBondContact O-N 2.89Å
112S89.6Confident92.5Very high70 Ų7092 Ų9249%0.4949%0.485SS..Hα-helixtrans-97.4-11.1-178.474.10000114.5H108 V109 D114H108-S112 WeakPolarHBondContact O-CB 3.42Å; H108-S112 PolarHBondContact O-N 3.25Å; H108-S112 PolarHBondContact O-OG 3.47Å; V109-S112 PolarHBondContact O-N 2.86Å; S112-D114 PolarHBondContact O-N 2.96Å
113L93.9Very high93Very high90 Ų9093 Ų9347%0.47148%0.483SS..  trans-65124.1-178.4-87.8169.9000112.4V109 K115 I118V109-L113 HydrophobicContact CG1-CD1 3.7Å; V109-L113 HydrophobicContact CG1-CD2 4.35Å; V109-L113 HydrophobicContact CG1-CG 3.77Å; V109-L113 WeakPolarHBondContact O-CB 3.25Å; V109-L113 WeakPolarHBondContact O-CG 3.17Å; V109-L113 PolarHBondContact O-N 3.31Å; L113-K115 PolarHBondContact O-N 3.44Å; L113-I118 HydrophobicContact CD2-CD1 4.14Å; L113-I118 HydrophobicContact CD2-CG1 4.3Å
114D97Very high93.4Very high92 Ų9291.2 Ų91.249%0.49248%0.476SS..  trans-77.4103.4169-177.6-10.3000110.2S112 S116 A117 I118S112-D114 PolarHBondContact O-N 2.96Å; D114-S116 PolarHBondContact O-N 3.22Å; D114-S116 WeakPolarHBondContact OD1-CA 3.18Å; D114-S116 WeakPolarHBondContact OD1-CB 3.39Å; D114-S116 PolarHBondContact OD1-N 3.3Å; D114-S116 PolarHBondContact OD1-OG 3.18Å; D114-S116 PolarHBondContact OD2-OG 3.22Å; D114-A117 HydrophobicContact CB-CB 3.91Å; D114-A117 PolarHBondContact O-N 3.39Å; D114-A117 PolarHBondContact OD1-N 2.87Å; D114-I118 WeakPolarHBondContact O-CG1 3.43Å; D114-I118 PolarHBondContact O-N 3.02Å
115K97Very high94.1Very high181 Ų18192.4 Ų92.479%0.78748%0.481SS*.Hα-helixtrans-61.3-30.5179.6-64.3176.6-176.8173.20112.9L113 N119L113-K115 PolarHBondContact O-N 3.44Å; K115-N119 PolarHBondContact O-N 2.96Å
116S98.3Very high94.7Very high81 Ų8193.8 Ų93.857%0.56649%0.49SS*.Hα-helixtrans-72.3-39.917974.80000111.3D114 N119 R120D114-S116 PolarHBondContact O-N 3.22Å; D114-S116 WeakPolarHBondContact OD1-CA 3.18Å; D114-S116 WeakPolarHBondContact OD1-CB 3.39Å; D114-S116 PolarHBondContact OD1-N 3.3Å; D114-S116 PolarHBondContact OD1-OG 3.18Å; D114-S116 PolarHBondContact OD2-OG 3.22Å; S116-N119 PolarHBondContact O-N 3.29Å; S116-R120 PolarHBondContact O-N 3.05Å
117A98.1Very high95Very high50 Ų5095 Ų9541%0.41349%0.492SS..Hα-helixtrans-64.3-40.9173.600000111.6D114 R120 A121D114-A117 HydrophobicContact CB-CB 3.91Å; D114-A117 PolarHBondContact O-N 3.39Å; D114-A117 PolarHBondContact OD1-N 2.87Å; A117-R120 PolarHBondContact O-N 2.95Å; A117-A121 WeakPolarHBondContact O-CB 3.45Å; A117-A121 PolarHBondContact O-N 2.64Å
118I97.9Very high95.4Very high88 Ų8892.4 Ų92.445%0.45148%0.48SS..Hα-helixtrans-61.2-47.2173.9-65.5-62000111.1L113 D114 R120 A121 V122L113-I118 HydrophobicContact CD2-CD1 4.14Å; L113-I118 HydrophobicContact CD2-CG1 4.3Å; D114-I118 WeakPolarHBondContact O-CG1 3.43Å; D114-I118 PolarHBondContact O-N 3.02Å; I118-R120 VanDerWaalsContact C-N 3.33Å; I118-R120 PolarHBondContact O-N 3.01Å; I118-A121 PolarHBondContact O-N 2.83Å; I118-V122 WeakPolarHBondContact O-CG2 3.14Å; I118-V122 PolarHBondContact O-N 3.07Å
119N98.4Very high96Very high95 Ų9594.9 Ų94.951%0.50849%0.489SS..Hα-helixtrans-58.7-46.6178.2-164.290000111.4K115 S116 A121 V122 D123K115-N119 PolarHBondContact O-N 2.96Å; S116-N119 PolarHBondContact O-N 3.29Å; N119-A121 VanDerWaalsContact C-N 3.31Å; N119-A121 PolarHBondContact O-N 3.24Å; N119-V122 WeakPolarHBondContact O-CB 3.48Å; N119-V122 PolarHBondContact O-N 2.71Å; N119-V122 VanDerWaalsContact O-N 3.14Å; N119-D123 PolarHBondContact ND2-OD2 3.24Å; N119-D123 VanDerWaalsContact O-CG 3.25Å; N119-D123 PolarHBondContact O-N 2.95Å
120R98.4Very high96.4Very high177 Ų17794.1 Ų94.167%0.66848%0.481SS*.Hα-helixtrans-60.4-40.1177-177.4178.7172.6-174.2-2112.4S116 A117 I118 V122 D123 L124S116-R120 PolarHBondContact O-N 3.05Å; A117-R120 PolarHBondContact O-N 2.95Å; I118-R120 VanDerWaalsContact C-N 3.33Å; I118-R120 PolarHBondContact O-N 3.01Å; R120-V122 VanDerWaalsContact C-N 3.35Å; R120-D123 PolarHBondContact O-N 3.09Å; R120-L124 HydrophobicContact CG-CD1 4.43Å; R120-L124 WeakPolarHBondContact O-CG 3.5Å; R120-L124 PolarHBondContact O-N 3.44Å; R120-L124 VanDerWaalsContact O-N 3.08Å
121A97.8Very high96.7Very high43 Ų4385.9 Ų85.936%0.35545%0.45SS..Hα-helixtrans-63.8-41.4175.900000111.5A117 I118 N119 L124 L125A117-A121 WeakPolarHBondContact O-CB 3.45Å; A117-A121 PolarHBondContact O-N 2.64Å; I118-A121 PolarHBondContact O-N 2.83Å; N119-A121 VanDerWaalsContact C-N 3.31Å; N119-A121 PolarHBondContact O-N 3.24Å; A121-L124 PolarHBondContact O-N 2.89Å; A121-L125 WeakPolarHBondContact O-CB 3.39Å; A121-L125 WeakPolarHBondContact O-CD1 3.34Å; A121-L125 WeakPolarHBondContact O-CG 3.39Å; A121-L125 PolarHBondContact O-N 3.31Å
122V97.5Very high97Very high73 Ų7380.2 Ų80.244%0.44242%0.424SS..Hα-helixtrans-62.1-44.8174.5172.90000111.1I118 N119 R120 L124 L125 T126I118-V122 WeakPolarHBondContact O-CG2 3.14Å; I118-V122 PolarHBondContact O-N 3.07Å; N119-V122 WeakPolarHBondContact O-CB 3.48Å; N119-V122 PolarHBondContact O-N 2.71Å; N119-V122 VanDerWaalsContact O-N 3.14Å; R120-V122 VanDerWaalsContact C-N 3.35Å; V122-L124 VanDerWaalsContact C-N 3.33Å; V122-L124 PolarHBondContact O-N 3.43Å; V122-L125 PolarHBondContact O-N 2.9Å; V122-T126 HydrophobicContact CG1-CG2 4.08Å; V122-T126 WeakPolarHBondContact O-CB 3.23Å; V122-T126 VanDerWaalsContact O-CG2 3.28Å; V122-T126 WeakPolarHBondContact O-CG2 2.96Å; V122-T126 PolarHBondContact O-N 3.28Å; V122-T126 PolarHBondContact O-OG1 3.37Å
123D98Very high97.5Very high71 Ų7177.1 Ų77.138%0.3840%0.402SS..Hα-helixtrans-59.9-42178.4-64.4-32.1000112N119 R120 T126 Q127N119-D123 PolarHBondContact ND2-OD2 3.24Å; N119-D123 VanDerWaalsContact O-CG 3.25Å; N119-D123 PolarHBondContact O-N 2.95Å; R120-D123 PolarHBondContact O-N 3.09Å; D123-T126 PolarHBondContact O-OG1 3.27Å; D123-T126 VanDerWaalsContact O-OG1 3.13Å; D123-Q127 WeakPolarHBondContact O-CG 3.21Å; D123-Q127 PolarHBondContact O-N 3.44Å; D123-Q127 PolarHBondContact O-NE2 3.02Å
124L97.7Very high97.7Very high91 Ų9172.9 Ų72.948%0.47638%0.38SS..Hα-helixtrans-66.9-46.2176.2-69.9170.5000111.8R120 A121 V122 T126 Q127 A128 V178R120-L124 HydrophobicContact CG-CD1 4.43Å; R120-L124 WeakPolarHBondContact O-CG 3.5Å; R120-L124 PolarHBondContact O-N 3.44Å; R120-L124 VanDerWaalsContact O-N 3.08Å; A121-L124 PolarHBondContact O-N 2.89Å; V122-L124 VanDerWaalsContact C-N 3.33Å; V122-L124 PolarHBondContact O-N 3.43Å; L124-T126 PolarHBondContact O-N 2.9Å; L124-Q127 PolarHBondContact O-N 3.22Å; L124-A128 PolarHBondContact O-N 3.11Å; L124-V178 HydrophobicContact CB-CG2 4.41Å
125L97.3Very high97.7Very high33 Ų3368.5 Ų68.517%0.17336%0.356CS..Hα-helixtrans-67.3-36.7-177.2-72.3167000112.6A121 V122 Q127 A128 I131 F150 V178 V180A121-L125 WeakPolarHBondContact O-CB 3.39Å; A121-L125 WeakPolarHBondContact O-CD1 3.34Å; A121-L125 WeakPolarHBondContact O-CG 3.39Å; A121-L125 PolarHBondContact O-N 3.31Å; V122-L125 PolarHBondContact O-N 2.9Å; L125-Q127 VanDerWaalsContact C-N 3.3Å; L125-Q127 PolarHBondContact O-N 3.48Å; L125-A128 WeakPolarHBondContact O-CB 3.47Å; L125-A128 PolarHBondContact O-N 3.45Å; L125-I131 HydrophobicContact CD2-CD1 3.96Å; L125-I131 HydrophobicContact CD2-CG1 4.24Å; L125-I131 HydrophobicContact CD2-CG2 3.87Å; L125-F150 HydrophobicContact CB-CE1 4.42Å; L125-F150 HydrophobicContact CD1-CE1 4.1Å; L125-F150 HydrophobicContact CD1-CZ 4.17Å; L125-F150 HydrophobicContact CD2-CE1 4.33Å; L125-V178 HydrophobicContact CD2-CB 4.48Å; L125-V178 HydrophobicContact CD2-CG1 3.83Å; L125-V180 HydrophobicContact CD2-CG2 3.84Å
126T96.3Very high97.6Very high101 Ų10161.8 Ų61.862%0.6233%0.329SS*.Hα-helixtrans-72.4-22.3179.550.50000113.5V122 D123 L124V122-T126 HydrophobicContact CG1-CG2 4.08Å; V122-T126 WeakPolarHBondContact O-CB 3.23Å; V122-T126 VanDerWaalsContact O-CG2 3.28Å; V122-T126 WeakPolarHBondContact O-CG2 2.96Å; V122-T126 PolarHBondContact O-N 3.28Å; V122-T126 PolarHBondContact O-OG1 3.37Å; D123-T126 PolarHBondContact O-OG1 3.27Å; D123-T126 VanDerWaalsContact O-OG1 3.13Å; L124-T126 PolarHBondContact O-N 2.9Å
127Q96Very high97.4Very high149 Ų14961.1 Ų61.170%0.69633%0.334SS*.THydrogen-bonded Turntrans-98.30.4176.6-67.517373.300112.9D123 L124 L125D123-Q127 WeakPolarHBondContact O-CG 3.21Å; D123-Q127 PolarHBondContact O-N 3.44Å; D123-Q127 PolarHBondContact O-NE2 3.02Å; L124-Q127 PolarHBondContact O-N 3.22Å; L125-Q127 VanDerWaalsContact C-N 3.3Å; L125-Q127 PolarHBondContact O-N 3.48Å
128A97.6Very high97.2Very high10 Ų1063.6 Ų63.68%0.08335%0.348CS..  trans-68.8136.3-174.400000111.9L124 L125 I131 V155 G176 V178L124-A128 PolarHBondContact O-N 3.11Å; L125-A128 WeakPolarHBondContact O-CB 3.47Å; L125-A128 PolarHBondContact O-N 3.45Å; A128-I131 HydrophobicContact CB-CD1 4.12Å; A128-I131 HydrophobicContact CB-CG1 3.56Å; A128-V155 WeakPolarHBondContact O-CG1 3.43Å; A128-G176 CarbonylContact C-O 3.46Å; A128-G176 WeakPolarHBondContact CA-O 3.32Å; A128-V178 HydrophobicContact CB-CB 4.08Å; A128-V178 HydrophobicContact CB-CG2 3.66Å
129K97.4Very high97.2Very high142 Ų14260 Ų6062%0.61733%0.331SS*.SBendtrans-81.6-26.1170.5-66-179.4-173.1160.20112.4P156 D175 G176K129-P156 VanDerWaalsContact O-CD 3.31Å; K129-P156 WeakPolarHBondContact O-CD 3.41Å; K129-D175 PolarHBondContact NZ-O 3.28Å; K129-G176 PolarHBondContact N-O 3.12Å
130K97.5Very high97.2Very high43 Ų4355.7 Ų55.719%0.18731%0.309CS..EExtended strand (participates in β ladder)trans-152.8142.8174.8-172.3-17687-1510108.4P156 D177 V178K130-P156 CarbonylContact C-O 3.57Å; K130-P156 VanDerWaalsContact CA-O 3.31Å; K130-P156 WeakPolarHBondContact CA-O 3.36Å; K130-P156 HydrophobicContact CB-CB 4.44Å; K130-P156 HydrophobicContact CG-CB 4.14Å; K130-D177 HydrophobicContact CB-CB 4.46Å; K130-D177 VanDerWaalsContact CB-OD1 3.31Å; K130-D177 WeakPolarHBondContact CB-OD1 3.29Å; K130-D177 WeakPolarHBondContact CE-OD2 3.3Å; K130-D177 IonicContact NZ-OD2 2.77Å; K130-D177 PolarHBondContact NZ-OD2 2.93Å; K130-D177 WeakPolarHBondContact O-CA 3.4Å; K130-V178 PolarHBondContact O-N 3.49Å
131I98.2Very high97.1Very high4 Ų450.4 Ų50.42%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-120129.2175.3-54.4169.1000109L125 A128 F133 F150 V155 P156 V157 V158 V178 V180L125-I131 HydrophobicContact CD2-CD1 3.96Å; L125-I131 HydrophobicContact CD2-CG1 4.24Å; L125-I131 HydrophobicContact CD2-CG2 3.87Å; A128-I131 HydrophobicContact CB-CD1 4.12Å; A128-I131 HydrophobicContact CB-CG1 3.56Å; I131-F133 HydrophobicContact CB-CE2 4.33Å; I131-F133 HydrophobicContact CG2-CD2 4.06Å; I131-F133 HydrophobicContact CG2-CE1 4.29Å; I131-F133 HydrophobicContact CG2-CE2 3.48Å; I131-F133 VanDerWaalsContact CG2-CE2 3.48Å; I131-F133 HydrophobicContact CG2-CZ 3.61Å; I131-F150 HydrophobicContact CD1-CD1 3.83Å; I131-F150 HydrophobicContact CD1-CE1 4.31Å; I131-V155 HydrophobicContact CD1-CG1 4.1Å; I131-V155 HydrophobicContact CG1-CG1 4.05Å; I131-P156 PolarHBondContact N-O 3.27Å; I131-V157 HydrophobicContact CB-CG1 4.44Å; I131-V157 CarbonylContact O-C 3.36Å; I131-V157 VanDerWaalsContact O-CA 3.28Å; I131-V157 WeakPolarHBondContact O-CA 3.44Å; I131-V158 PolarHBondContact O-N 2.69Å; I131-V178 CarbonylContact C-O 3.58Å; I131-V178 WeakPolarHBondContact CA-O 3.26Å; I131-V180 HydrophobicContact CG2-CG2 4.22Å
132A97.9Very high97.1Very high1 Ų152.1 Ų52.11%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-116.8122175.600000110.7F134 V158 V178 V179 V180A132-F134 HydrophobicContact CB-CE1 3.76Å; A132-F134 HydrophobicContact CB-CE2 4.22Å; A132-F134 HydrophobicContact CB-CZ 3.53Å; A132-V158 WeakPolarHBondContact CA-O 3.27Å; A132-V158 HydrophobicContact CB-CG2 3.54Å; A132-V178 PolarHBondContact N-O 3.46Å; A132-V179 HydrophobicContact CB-CG2 4.41Å; A132-V179 WeakPolarHBondContact O-CA 3.3Å; A132-V180 PolarHBondContact O-N 3.4Å
133F98.4Very high97.2Very high5 Ų548.7 Ų48.72%0.02229%0.288CS..EExtended strand (participates in β ladder)trans-102.7117.8177.8-68.1-80.6000110.7I131 A143 A146 M147 F150 V157 V158 Y159 S160 V180I131-F133 HydrophobicContact CB-CE2 4.33Å; I131-F133 HydrophobicContact CG2-CD2 4.06Å; I131-F133 HydrophobicContact CG2-CE1 4.29Å; I131-F133 HydrophobicContact CG2-CE2 3.48Å; I131-F133 VanDerWaalsContact CG2-CE2 3.48Å; I131-F133 HydrophobicContact CG2-CZ 3.61Å; F133-A143 HydrophobicContact CB-CB 4.05Å; F133-A143 WeakPolarHBondContact CB-O 3.41Å; F133-A146 HydrophobicContact CD1-CB 3.61Å; F133-A146 HydrophobicContact CD2-CB 4.38Å; F133-A146 HydrophobicContact CE1-CB 3.6Å; F133-A146 HydrophobicContact CE2-CB 4.36Å; F133-A146 HydrophobicContact CG-CB 4.02Å; F133-A146 HydrophobicContact CZ-CB 4Å; F133-M147 HydrophobicContact CD2-CB 4.07Å; F133-F150 HydrophobicContact CE2-CB 3.92Å; F133-F150 HydrophobicContact CE2-CD1 4.35Å; F133-F150 HydrophobicContact CE2-CD2 4.24Å; F133-F150 AromaticContact CE2-CG 3.92Å; F133-F150 HydrophobicContact CE2-CG 3.92Å; F133-F150 HydrophobicContact CZ-CB 4.22Å; F133-F150 AromaticContact CZ-CD1 3.93Å; F133-F150 HydrophobicContact CZ-CD1 3.93Å; F133-F150 AromaticContact CZ-CD2 3.74Å; F133-F150 HydrophobicContact CZ-CD2 3.74Å; F133-F150 HydrophobicContact CZ-CE1 4.18Å; F133-F150 AromaticContact CZ-CE2 3.99Å; F133-F150 HydrophobicContact CZ-CE2 3.99Å; F133-F150 AromaticContact CZ-CG 3.69Å; F133-F150 HydrophobicContact CZ-CG 3.69Å; F133-F150 HydrophobicContact CZ-CZ 4.2Å; F133-V157 HydrophobicContact CD2-CG1 3.53Å; F133-V157 HydrophobicContact CE2-CG1 3.47Å; F133-V157 VanDerWaalsContact CE2-CG1 3.47Å; F133-V158 PolarHBondContact N-O 2.87Å; F133-Y159 VanDerWaalsContact O-CA 3.26Å; F133-Y159 WeakPolarHBondContact O-CA 3.34Å; F133-Y159 WeakPolarHBondContact O-CD2 3.08Å; F133-S160 PolarHBondContact O-N 3.45Å; F133-V180 HydrophobicContact CD1-CB 3.57Å; F133-V180 HydrophobicContact CD1-CG1 3.79Å; F133-V180 HydrophobicContact CD1-CG2 4.08Å; F133-V180 HydrophobicContact CE1-CB 3.76Å; F133-V180 HydrophobicContact CE1-CG1 3.88Å; F133-V180 HydrophobicContact CE1-CG2 3.77Å; F133-V180 HydrophobicContact CG-CB 4.48Å; F133-V180 HydrophobicContact CZ-CG2 4.46Å
134F98.1Very high97.2Very high1 Ų149.1 Ų49.10%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-120.4142.1-179.6-55.2-31.4000111.3A132 Q166 V179 V180 L181 I182 L191 L194A132-F134 HydrophobicContact CB-CE1 3.76Å; A132-F134 HydrophobicContact CB-CE2 4.22Å; A132-F134 HydrophobicContact CB-CZ 3.53Å; F134-Q166 HydrophobicContact CB-CG 3.97Å; F134-Q166 HydrophobicContact CD1-CB 4.49Å; F134-Q166 HydrophobicContact CD1-CG 3.67Å; F134-Q166 HydrophobicContact CD2-CB 4.09Å; F134-Q166 HydrophobicContact CD2-CG 3.95Å; F134-Q166 HydrophobicContact CE1-CG 4.14Å; F134-Q166 HydrophobicContact CE2-CB 4.22Å; F134-Q166 HydrophobicContact CE2-CG 4.37Å; F134-Q166 HydrophobicContact CG-CB 4.27Å; F134-Q166 HydrophobicContact CG-CG 3.6Å; F134-Q166 HydrophobicContact CZ-CB 4.49Å; F134-Q166 HydrophobicContact CZ-CG 4.47Å; F134-V179 HydrophobicContact CD2-CG1 3.59Å; F134-V179 HydrophobicContact CE2-CG1 3.59Å; F134-V180 PolarHBondContact N-O 3.21Å; F134-L181 HydrophobicContact CB-CD2 3.82Å; F134-L181 HydrophobicContact CD2-CD2 3.65Å; F134-L181 HydrophobicContact CG-CD2 4.21Å; F134-I182 PolarHBondContact O-N 3.46Å; F134-L191 HydrophobicContact CB-CD2 4.29Å; F134-L194 HydrophobicContact CD2-CD1 3.93Å
135G97.3Very high97.2Very high0 Ų048.2 Ų48.20%028%0.283CS..EExtended strand (participates in β ladder)trans-164.3159.4175.100000109.7A140 D161G135-A140 WeakPolarHBondContact O-CB 3.32Å; G135-D161 WeakPolarHBondContact O-CA 3.5Å
136L96.3Very high97.2Very high40 Ų4047.3 Ų47.321%0.20928%0.281CS..  trans-120.9147.1176-61.1178.5000110S138 S139 D161 I163 T188 N190 L191L136-S138 PolarHBondContact O-N 3.49Å; L136-S139 WeakPolarHBondContact O-CB 3.5Å; L136-S139 PolarHBondContact O-N 2.79Å; L136-S139 VanDerWaalsContact O-N 3.16Å; L136-D161 WeakPolarHBondContact CD2-O 3.42Å; L136-I163 HydrophobicContact CD1-CD1 4.14Å; L136-I163 HydrophobicContact CD1-CG1 4.06Å; L136-I163 HydrophobicContact CD2-CD1 4.42Å; L136-I163 HydrophobicContact CD2-CG1 3.84Å; L136-T188 HydrophobicContact CD1-CG2 3.82Å; L136-N190 HydrophobicContact CD1-CB 4.08Å; L136-L191 HydrophobicContact CD1-CG 4.44Å; L136-L191 HydrophobicContact CG-CD2 4.44Å; L136-L191 HydrophobicContact CG-CG 4.47Å
137G94.1Very high97.3Very high66 Ų6644.2 Ų44.268%0.6826%0.26SS*.THydrogen-bonded Turntrans57.8-131.6179.800000112.5S139 A140G137-S139 PolarHBondContact O-N 2.97Å; G137-A140 WeakPolarHBondContact O-CB 3.2Å; G137-A140 PolarHBondContact O-N 3.1Å
138S93.9Very high97.3Very high102 Ų10241 Ų4171%0.71325%0.247SC*.Hα-helixtrans-61.2-28178.457.30000113.7L136 A140 A141L136-S138 PolarHBondContact O-N 3.49Å; S138-A140 PolarHBondContact O-N 3.23Å; S138-A141 PolarHBondContact O-N 3.17Å
139S96.8Very high97.3Very high13 Ų1345.8 Ų45.89%0.09127%0.266CS..Hα-helixtrans-70.1-24.4176.3-62.30000112.2L136 G137 A141 V142 A143 I182 H184L136-S139 WeakPolarHBondContact O-CB 3.5Å; L136-S139 PolarHBondContact O-N 2.79Å; L136-S139 VanDerWaalsContact O-N 3.16Å; G137-S139 PolarHBondContact O-N 2.97Å; S139-A141 VanDerWaalsContact C-N 3.35Å; S139-V142 PolarHBondContact O-N 3.49Å; S139-A143 PolarHBondContact O-N 2.83Å; S139-A143 VanDerWaalsContact O-N 3.09Å; S139-I182 VanDerWaalsContact CB-O 3.27Å; S139-I182 WeakPolarHBondContact CB-O 3.4Å; S139-H184 PolarHBondContact OG-N 2.92Å
140A97.7Very high97.3Very high4 Ų441.6 Ų41.63%0.03325%0.248CC..Hα-helixtrans-65.8-37175.100000112.2G135 G137 S138 V142 A143 H144 Y159 D161G135-A140 WeakPolarHBondContact O-CB 3.32Å; G137-A140 WeakPolarHBondContact O-CB 3.2Å; G137-A140 PolarHBondContact O-N 3.1Å; S138-A140 PolarHBondContact O-N 3.23Å; A140-V142 VanDerWaalsContact C-N 3.28Å; A140-V142 PolarHBondContact O-N 2.85Å; A140-A143 WeakPolarHBondContact O-CB 3.45Å; A140-A143 PolarHBondContact O-N 3.11Å; A140-A143 VanDerWaalsContact O-N 3.14Å; A140-H144 WeakPolarHBondContact O-CB 3.28Å; A140-H144 PolarHBondContact O-N 3.26Å; A140-Y159 HydrophobicContact CB-CE2 4.19Å; A140-Y159 WeakPolarHBondContact CB-OH 3.24Å; A140-Y159 VanDerWaalsContact O-CE2 3.26Å; A140-Y159 WeakPolarHBondContact O-CE2 3.4Å; A140-D161 HydrophobicContact CB-CB 3.82Å
141A98Very high97Very high67 Ų6746.5 Ų46.555%0.55427%0.27SS*.Hα-helixtrans-60.6-39.1175.600000112S138 S139 H144 D145S138-A141 PolarHBondContact O-N 3.17Å; S139-A141 VanDerWaalsContact C-N 3.35Å; A141-H144 PolarHBondContact O-N 3.18Å; A141-D145 WeakPolarHBondContact O-CB 3.41Å; A141-D145 PolarHBondContact O-N 2.94Å
142V98Very high96.8Very high79 Ų7956.4 Ų56.448%0.47931%0.307SS..Hα-helixtrans-68.2-40.2175.1-175.20000111.1S139 A140 D145 A146 I182S139-V142 PolarHBondContact O-N 3.49Å; A140-V142 VanDerWaalsContact C-N 3.28Å; A140-V142 PolarHBondContact O-N 2.85Å; V142-D145 PolarHBondContact O-N 3.34Å; V142-A146 WeakPolarHBondContact O-CB 3.4Å; V142-A146 PolarHBondContact O-N 3.17Å; V142-I182 HydrophobicContact CB-CD1 4.37Å; V142-I182 HydrophobicContact CB-CG2 4.2Å; V142-I182 HydrophobicContact CG1-CD1 4.03Å; V142-I182 HydrophobicContact CG1-CG2 4.27Å
143A98.1Very high96.5Very high0 Ų062.8 Ų62.80%034%0.335CS..Hα-helixtrans-63.5-40.6175.600000112.5F133 S139 A140 A146 M147 Y159 I182F133-A143 HydrophobicContact CB-CB 4.05Å; F133-A143 WeakPolarHBondContact CB-O 3.41Å; S139-A143 PolarHBondContact O-N 2.83Å; S139-A143 VanDerWaalsContact O-N 3.09Å; A140-A143 WeakPolarHBondContact O-CB 3.45Å; A140-A143 PolarHBondContact O-N 3.11Å; A140-A143 VanDerWaalsContact O-N 3.14Å; A143-A146 PolarHBondContact O-N 3.28Å; A143-M147 PolarHBondContact O-N 3Å; A143-Y159 HydrophobicContact CB-CD2 3.69Å; A143-Y159 HydrophobicContact CB-CE2 3.86Å; A143-I182 VanDerWaalsContact CA-CD1 3.47Å; A143-I182 HydrophobicContact CB-CD1 3.76Å
144H98.1Very high96.2Very high80 Ų8070.3 Ų70.337%0.3738%0.375SS..Hα-helixtrans-66.9-43.7175.7-174.7-166.1000111.7A140 A141 A146 M147 N148 Y159A140-H144 WeakPolarHBondContact O-CB 3.28Å; A140-H144 PolarHBondContact O-N 3.26Å; A141-H144 PolarHBondContact O-N 3.18Å; H144-A146 VanDerWaalsContact C-N 3.33Å; H144-A146 PolarHBondContact O-N 2.76Å; H144-M147 PolarHBondContact O-N 3.1Å; H144-N148 PolarHBondContact CD2-ND2 3.33Å; H144-N148 VanDerWaalsContact CD2-ND2 3.31Å; H144-N148 PolarHBondContact NE2-ND2 3.22Å; H144-N148 PolarHBondContact O-N 3.42Å; H144-N148 PolarHBondContact O-ND2 2.97Å; H144-Y159 HydrophobicContact CB-CD1 4.23Å; H144-Y159 HydrophobicContact CB-CD2 4.08Å; H144-Y159 HydrophobicContact CB-CE1 4.13Å; H144-Y159 HydrophobicContact CB-CE2 3.95Å; H144-Y159 HydrophobicContact CB-CG 4.2Å
145D98.3Very high96Very high72 Ų7271.9 Ų71.939%0.38539%0.385SS..Hα-helixtrans-60.2-41.8173.3174.862.1000112.1A141 V142 N148 K149A141-D145 WeakPolarHBondContact O-CB 3.41Å; A141-D145 PolarHBondContact O-N 2.94Å; V142-D145 PolarHBondContact O-N 3.34Å; D145-N148 PolarHBondContact O-N 2.85Å; D145-K149 WeakPolarHBondContact O-CG 3.28Å; D145-K149 PolarHBondContact O-N 2.94Å; D145-K149 VanDerWaalsContact OD1-CE 3.26Å; D145-K149 WeakPolarHBondContact OD1-CE 3.4Å; D145-K149 IonicContact OD1-NZ 3.81Å; D145-K149 PolarHBondContact OD1-NZ 3.45Å; D145-K149 VanDerWaalsContact OD2-CE 3.26Å; D145-K149 WeakPolarHBondContact OD2-CE 3.21Å; D145-K149 IonicContact OD2-NZ 2.91Å; D145-K149 PolarHBondContact OD2-NZ 3.21Å
146A98.1Very high96Very high15 Ų1575.8 Ų75.812%0.12441%0.41CS..Hα-helixtrans-60.9-45.5174.100000111.6F133 V142 A143 H144 N148 K149 F150F133-A146 HydrophobicContact CD1-CB 3.61Å; F133-A146 HydrophobicContact CD2-CB 4.38Å; F133-A146 HydrophobicContact CE1-CB 3.6Å; F133-A146 HydrophobicContact CE2-CB 4.36Å; F133-A146 HydrophobicContact CG-CB 4.02Å; F133-A146 HydrophobicContact CZ-CB 4Å; V142-A146 WeakPolarHBondContact O-CB 3.4Å; V142-A146 PolarHBondContact O-N 3.17Å; A143-A146 PolarHBondContact O-N 3.28Å; H144-A146 VanDerWaalsContact C-N 3.33Å; H144-A146 PolarHBondContact O-N 2.76Å; A146-N148 PolarHBondContact O-N 3.22Å; A146-K149 PolarHBondContact O-N 3.28Å; A146-F150 WeakPolarHBondContact O-CB 3.22Å; A146-F150 WeakPolarHBondContact O-CD2 3.2Å; A146-F150 PolarHBondContact O-N 2.82Å
147M97.4Very high96.1Very high35 Ų3574.8 Ų74.817%0.17241%0.405CS..Hα-helixtrans-56.4-48.2174.4178.2-84.4-82.500111.7F133 A143 H144 K149 F150 F151 V157F133-M147 HydrophobicContact CD2-CB 4.07Å; A143-M147 PolarHBondContact O-N 3Å; H144-M147 PolarHBondContact O-N 3.1Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 3.45Å; M147-F150 PolarHBondContact O-N 3.47Å; M147-F151 WeakPolarHBondContact O-CB 3.31Å; M147-F151 PolarHBondContact O-N 3.37Å; M147-V157 HydrophobicContact CB-CG1 4.07Å; M147-V157 HydrophobicContact CG-CB 4.3Å; M147-V157 HydrophobicContact CG-CG1 3.71Å
148N96.2Very high96.2Very high83 Ų8374.4 Ų74.444%0.44439%0.39SS..Hα-helixtrans-60-38.1178.5-76.3-44.1000113H144 D145 A146H144-N148 PolarHBondContact CD2-ND2 3.33Å; H144-N148 VanDerWaalsContact CD2-ND2 3.31Å; H144-N148 PolarHBondContact NE2-ND2 3.22Å; H144-N148 PolarHBondContact O-N 3.42Å; H144-N148 PolarHBondContact O-ND2 2.97Å; D145-N148 PolarHBondContact O-N 2.85Å; A146-N148 PolarHBondContact O-N 3.22Å
149K97.2Very high96.4Very high109 Ų10972.3 Ų72.347%0.47437%0.367SS..Hα-helixtrans-71.4-44176.9-74.3168.3178.4167.80111.9D145 A146 M147 F151 R152D145-K149 WeakPolarHBondContact O-CG 3.28Å; D145-K149 PolarHBondContact O-N 2.94Å; D145-K149 VanDerWaalsContact OD1-CE 3.26Å; D145-K149 WeakPolarHBondContact OD1-CE 3.4Å; D145-K149 IonicContact OD1-NZ 3.81Å; D145-K149 PolarHBondContact OD1-NZ 3.45Å; D145-K149 VanDerWaalsContact OD2-CE 3.26Å; D145-K149 WeakPolarHBondContact OD2-CE 3.21Å; D145-K149 IonicContact OD2-NZ 2.91Å; D145-K149 PolarHBondContact OD2-NZ 3.21Å; A146-K149 PolarHBondContact O-N 3.28Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 3.45Å; K149-F151 VanDerWaalsContact C-N 3.33Å; K149-R152 WeakPolarHBondContact O-CB 3.29Å; K149-R152 WeakPolarHBondContact O-CG 3.22Å; K149-R152 PolarHBondContact O-N 3.37Å
150F97.1Very high96.5Very high54 Ų5472.2 Ų72.224%0.23737%0.366CS..Hα-helixtrans-76.2-21.2-176.4-82.6-113.1000113.3L125 I131 F133 A146 M147 R152 F153 V157L125-F150 HydrophobicContact CB-CE1 4.42Å; L125-F150 HydrophobicContact CD1-CE1 4.1Å; L125-F150 HydrophobicContact CD1-CZ 4.17Å; L125-F150 HydrophobicContact CD2-CE1 4.33Å; I131-F150 HydrophobicContact CD1-CD1 3.83Å; I131-F150 HydrophobicContact CD1-CE1 4.31Å; F133-F150 HydrophobicContact CE2-CB 3.92Å; F133-F150 HydrophobicContact CE2-CD1 4.35Å; F133-F150 HydrophobicContact CE2-CD2 4.24Å; F133-F150 AromaticContact CE2-CG 3.92Å; F133-F150 HydrophobicContact CE2-CG 3.92Å; F133-F150 HydrophobicContact CZ-CB 4.22Å; F133-F150 AromaticContact CZ-CD1 3.93Å; F133-F150 HydrophobicContact CZ-CD1 3.93Å; F133-F150 AromaticContact CZ-CD2 3.74Å; F133-F150 HydrophobicContact CZ-CD2 3.74Å; F133-F150 HydrophobicContact CZ-CE1 4.18Å; F133-F150 AromaticContact CZ-CE2 3.99Å; F133-F150 HydrophobicContact CZ-CE2 3.99Å; F133-F150 AromaticContact CZ-CG 3.69Å; F133-F150 HydrophobicContact CZ-CG 3.69Å; F133-F150 HydrophobicContact CZ-CZ 4.2Å; A146-F150 WeakPolarHBondContact O-CB 3.22Å; A146-F150 WeakPolarHBondContact O-CD2 3.2Å; A146-F150 PolarHBondContact O-N 2.82Å; M147-F150 PolarHBondContact O-N 3.47Å; F150-R152 PolarHBondContact O-N 3.29Å; F150-F153 HydrophobicContact CB-CD2 4.23Å; F150-F153 HydrophobicContact CD1-CD2 4.05Å; F150-F153 HydrophobicContact CD1-CE2 4.35Å; F150-F153 HydrophobicContact CG-CD2 4.15Å; F150-F153 HydrophobicContact CG-CE2 4.3Å; F150-F153 WeakPolarHBondContact O-CB 3.33Å; F150-F153 WeakPolarHBondContact O-CD2 3.36Å; F150-F153 PolarHBondContact O-N 3.05Å; F150-V157 HydrophobicContact CB-CG1 4.31Å; F150-V157 HydrophobicContact CB-CG2 3.96Å
151F92.8Very high96.4Very high147 Ų14776.2 Ų76.265%0.64539%0.387SS*.G310 helixtrans-53.8-21.5172.3-164.2-98.4000113M147 K149 F153M147-F151 WeakPolarHBondContact O-CB 3.31Å; M147-F151 PolarHBondContact O-N 3.37Å; K149-F151 VanDerWaalsContact C-N 3.33Å; F151-F153 PolarHBondContact O-N 3.1Å
152R93.8Very high96.4Very high212 Ų21276.4 Ų76.480%0.838%0.378SS*.G310 helixtrans-71.7-10.7176.4-59.8177.4-179.4-174.9-1.4114.3K149 F150K149-R152 WeakPolarHBondContact O-CB 3.29Å; K149-R152 WeakPolarHBondContact O-CG 3.22Å; K149-R152 PolarHBondContact O-N 3.37Å; F150-R152 PolarHBondContact O-N 3.29Å
153F91.6Very high96.3Very high134 Ų13475.2 Ų75.259%0.58837%0.369SS*.G310 helixtrans-99.313.5-169.4-62.8-56.4000116.1F150 F151 V155F150-F153 HydrophobicContact CB-CD2 4.23Å; F150-F153 HydrophobicContact CD1-CD2 4.05Å; F150-F153 HydrophobicContact CD1-CE2 4.35Å; F150-F153 HydrophobicContact CG-CD2 4.15Å; F150-F153 HydrophobicContact CG-CE2 4.3Å; F150-F153 WeakPolarHBondContact O-CB 3.33Å; F150-F153 WeakPolarHBondContact O-CD2 3.36Å; F150-F153 PolarHBondContact O-N 3.05Å; F151-F153 PolarHBondContact O-N 3.1Å; F153-V155 PolarHBondContact O-N 3.19Å
154N90.6Very high96.2Very high163 Ų16379.6 Ų79.687%0.87240%0.395SS*.SBendtrans51.826.3-178.2-162.545000114.2
155V95.3Very high96.1Very high34 Ų3480.3 Ų80.321%0.20640%0.402CS..SBendtrans-109135.1169.81770000106.5A128 I131 F153 V157A128-V155 WeakPolarHBondContact O-CG1 3.43Å; I131-V155 HydrophobicContact CD1-CG1 4.1Å; I131-V155 HydrophobicContact CG1-CG1 4.05Å; F153-V155 PolarHBondContact O-N 3.19Å; V155-V157 VanDerWaalsContact O-CG2 3.22Å; V155-V157 WeakPolarHBondContact O-CG2 3.49Å; V155-V157 PolarHBondContact O-N 2.8Å
156P97.1Very high96.1Very high82 Ų8276.9 Ų76.953%0.53238%0.383SS..  trans-54.2121.3171.4-27.734.7000111.6K129 K130 I131K129-P156 VanDerWaalsContact O-CD 3.31Å; K129-P156 WeakPolarHBondContact O-CD 3.41Å; K130-P156 CarbonylContact C-O 3.57Å; K130-P156 VanDerWaalsContact CA-O 3.31Å; K130-P156 WeakPolarHBondContact CA-O 3.36Å; K130-P156 HydrophobicContact CB-CB 4.44Å; K130-P156 HydrophobicContact CG-CB 4.14Å; I131-P156 PolarHBondContact N-O 3.27Å
157V97.6Very high96Very high19 Ų1980.2 Ų80.212%0.11539%0.393CS..EExtended strand (participates in β ladder)trans-123.3136.6178.8-166.10000110.3I131 F133 M147 F150 V155I131-V157 HydrophobicContact CB-CG1 4.44Å; I131-V157 CarbonylContact O-C 3.36Å; I131-V157 VanDerWaalsContact O-CA 3.28Å; I131-V157 WeakPolarHBondContact O-CA 3.44Å; F133-V157 HydrophobicContact CD2-CG1 3.53Å; F133-V157 HydrophobicContact CE2-CG1 3.47Å; F133-V157 VanDerWaalsContact CE2-CG1 3.47Å; M147-V157 HydrophobicContact CB-CG1 4.07Å; M147-V157 HydrophobicContact CG-CB 4.3Å; M147-V157 HydrophobicContact CG-CG1 3.71Å; F150-V157 HydrophobicContact CB-CG1 4.31Å; F150-V157 HydrophobicContact CB-CG2 3.96Å; V155-V157 VanDerWaalsContact O-CG2 3.22Å; V155-V157 WeakPolarHBondContact O-CG2 3.49Å; V155-V157 PolarHBondContact O-N 2.8Å
158V97Very high95.9Very high59 Ų5982.7 Ų82.736%0.35841%0.405SS..EExtended strand (participates in β ladder)trans-128.8156.4173.3-60.20000110.9I131 A132 F133I131-V158 PolarHBondContact O-N 2.69Å; A132-V158 WeakPolarHBondContact CA-O 3.27Å; A132-V158 HydrophobicContact CB-CG2 3.54Å; F133-V158 PolarHBondContact N-O 2.87Å
159Y97.9Very high95.9Very high58 Ų5880.1 Ų80.123%0.22739%0.393CS..EExtended strand (participates in β ladder)trans-131.5147.7171.3150.7-94.2000109.4F133 A140 A143 H144 D161F133-Y159 VanDerWaalsContact O-CA 3.26Å; F133-Y159 WeakPolarHBondContact O-CA 3.34Å; F133-Y159 WeakPolarHBondContact O-CD2 3.08Å; A140-Y159 HydrophobicContact CB-CE2 4.19Å; A140-Y159 WeakPolarHBondContact CB-OH 3.24Å; A140-Y159 VanDerWaalsContact O-CE2 3.26Å; A140-Y159 WeakPolarHBondContact O-CE2 3.4Å; A143-Y159 HydrophobicContact CB-CD2 3.69Å; A143-Y159 HydrophobicContact CB-CE2 3.86Å; H144-Y159 HydrophobicContact CB-CD1 4.23Å; H144-Y159 HydrophobicContact CB-CD2 4.08Å; H144-Y159 HydrophobicContact CB-CE1 4.13Å; H144-Y159 HydrophobicContact CB-CE2 3.95Å; H144-Y159 HydrophobicContact CB-CG 4.2Å; Y159-D161 HydrophobicContact CE2-CB 4.44Å; Y159-D161 VanDerWaalsContact OH-CB 3.29Å; Y159-D161 WeakPolarHBondContact OH-CB 3.45Å; Y159-D161 PolarHBondContact OH-OD2 3.14Å
160S97.7Very high95.8Very high10 Ų1076.4 Ų76.47%0.0738%0.381CS..EExtended strand (participates in β ladder)trans-151.3139.1169.3-173.60000111.1F133 D162 L165 Q166F133-S160 PolarHBondContact O-N 3.45Å; S160-D162 PolarHBondContact OG-N 3.49Å; S160-D162 PolarHBondContact OG-O 2.93Å; S160-L165 WeakPolarHBondContact OG-CB 3.38Å; S160-Q166 PolarHBondContact O-NE2 3.28Å
161D96.5Very high95.7Very high88 Ų8881.2 Ų81.247%0.47141%0.406SS..  trans-107.5-5.816553.41.2000113.3G135 L136 A140 Y159G135-D161 WeakPolarHBondContact O-CA 3.5Å; L136-D161 WeakPolarHBondContact CD2-O 3.42Å; A140-D161 HydrophobicContact CB-CB 3.82Å; Y159-D161 HydrophobicContact CE2-CB 4.44Å; Y159-D161 VanDerWaalsContact OH-CB 3.29Å; Y159-D161 WeakPolarHBondContact OH-CB 3.45Å; Y159-D161 PolarHBondContact OH-OD2 3.14Å
162D97.1Very high95.8Very high71 Ų7179.9 Ų79.938%0.3841%0.405SS..  trans-83.2122.9171.5-178-71.9000110.4S160 V164 L165 Q166S160-D162 PolarHBondContact OG-N 3.49Å; S160-D162 PolarHBondContact OG-O 2.93Å; D162-V164 VanDerWaalsContact C-N 3.3Å; D162-V164 PolarHBondContact O-N 3.05Å; D162-V164 VanDerWaalsContact OD1-CA 3.31Å; D162-V164 WeakPolarHBondContact OD1-CA 3.15Å; D162-V164 VanDerWaalsContact OD1-CB 3.28Å; D162-V164 WeakPolarHBondContact OD1-CB 3.34Å; D162-V164 PolarHBondContact OD1-N 3.35Å; D162-L165 HydrophobicContact CB-CB 4.04Å; D162-L165 HydrophobicContact CB-CD1 3.93Å; D162-L165 HydrophobicContact CB-CG 3.96Å; D162-L165 PolarHBondContact O-N 2.63Å; D162-L165 PolarHBondContact OD1-N 3.17Å; D162-Q166 WeakPolarHBondContact O-CG 3.37Å; D162-Q166 PolarHBondContact O-N 3.47Å
163I96Very high95.9Very high54 Ų5472 Ų7228%0.27738%0.382SS..Hα-helixtrans-64.7-34.5-175.8-63.8157.9000111.8L136 Q166 R167 N190L136-I163 HydrophobicContact CD1-CD1 4.14Å; L136-I163 HydrophobicContact CD1-CG1 4.06Å; L136-I163 HydrophobicContact CD2-CD1 4.42Å; L136-I163 HydrophobicContact CD2-CG1 3.84Å; I163-Q166 PolarHBondContact O-N 3.34Å; I163-R167 WeakPolarHBondContact O-CG 3.39Å; I163-R167 PolarHBondContact O-N 3.35Å; I163-N190 HydrophobicContact CD1-CB 4.04Å; I163-N190 WeakPolarHBondContact CD1-ND2 3.46Å; I163-N190 HydrophobicContact CG1-CB 4.18Å; I163-N190 HydrophobicContact CG2-CB 4.2Å
164V96.3Very high96.1Very high92 Ų9269.4 Ų69.456%0.55838%0.381SS*.Hα-helixtrans-71-45.1179.8-171.90000109.5D162 Q166 R167 M168D162-V164 VanDerWaalsContact C-N 3.3Å; D162-V164 PolarHBondContact O-N 3.05Å; D162-V164 VanDerWaalsContact OD1-CA 3.31Å; D162-V164 WeakPolarHBondContact OD1-CA 3.15Å; D162-V164 VanDerWaalsContact OD1-CB 3.28Å; D162-V164 WeakPolarHBondContact OD1-CB 3.34Å; D162-V164 PolarHBondContact OD1-N 3.35Å; V164-Q166 VanDerWaalsContact C-N 3.34Å; V164-Q166 PolarHBondContact O-N 3.4Å; V164-R167 PolarHBondContact O-N 2.92Å; V164-M168 HydrophobicContact CG1-CE 4.02Å; V164-M168 HydrophobicContact CG1-SD 4.47Å; V164-M168 WeakPolarHBondContact O-CG 3.32Å; V164-M168 PolarHBondContact O-N 3.23Å
165L96.7Very high96.4Very high96 Ų9668.6 Ų68.650%0.50338%0.377SS..Hα-helixtrans-61.6-40.4173.5-68.7-176.9000112S160 D162 M168 S169S160-L165 WeakPolarHBondContact OG-CB 3.38Å; D162-L165 HydrophobicContact CB-CB 4.04Å; D162-L165 HydrophobicContact CB-CD1 3.93Å; D162-L165 HydrophobicContact CB-CG 3.96Å; D162-L165 PolarHBondContact O-N 2.63Å; D162-L165 PolarHBondContact OD1-N 3.17Å; L165-M168 HydrophobicContact CD2-CE 3.58Å; L165-M168 HydrophobicContact CG-CE 4.48Å; L165-M168 PolarHBondContact O-N 2.84Å; L165-S169 VanDerWaalsContact O-CB 3.26Å; L165-S169 WeakPolarHBondContact O-CB 3.39Å; L165-S169 PolarHBondContact O-N 3.02Å
166Q97.3Very high96.4Very high0 Ų068.9 Ų68.90%039%0.386CS..Hα-helixtrans-59.1-50.3175.2-71.6169.15.900111.1F134 S160 D162 I163 V164 M168 S169 C170 L191 L194F134-Q166 HydrophobicContact CB-CG 3.97Å; F134-Q166 HydrophobicContact CD1-CB 4.49Å; F134-Q166 HydrophobicContact CD1-CG 3.67Å; F134-Q166 HydrophobicContact CD2-CB 4.09Å; F134-Q166 HydrophobicContact CD2-CG 3.95Å; F134-Q166 HydrophobicContact CE1-CG 4.14Å; F134-Q166 HydrophobicContact CE2-CB 4.22Å; F134-Q166 HydrophobicContact CE2-CG 4.37Å; F134-Q166 HydrophobicContact CG-CB 4.27Å; F134-Q166 HydrophobicContact CG-CG 3.6Å; F134-Q166 HydrophobicContact CZ-CB 4.49Å; F134-Q166 HydrophobicContact CZ-CG 4.47Å; S160-Q166 PolarHBondContact O-NE2 3.28Å; D162-Q166 WeakPolarHBondContact O-CG 3.37Å; D162-Q166 PolarHBondContact O-N 3.47Å; I163-Q166 PolarHBondContact O-N 3.34Å; V164-Q166 VanDerWaalsContact C-N 3.34Å; V164-Q166 PolarHBondContact O-N 3.4Å; Q166-M168 PolarHBondContact O-N 3.02Å; Q166-S169 WeakPolarHBondContact O-CB 3.3Å; Q166-S169 PolarHBondContact O-N 3.46Å; Q166-C170 PolarHBondContact O-N 2.89Å; Q166-C170 PolarHBondContact O-SG 3.03Å; Q166-C170 VanDerWaalsContact O-SG 3.38Å; Q166-L191 VanDerWaalsContact OE1-CD2 3.32Å; Q166-L194 HydrophobicContact CB-CD1 4.36Å; Q166-L194 HydrophobicContact CB-CD2 3.9Å
167R96.1Very high96.4Very high85 Ų8566.6 Ų66.632%0.32137%0.37SS..Hα-helixtrans-59.5-47.3177-75.6-177.4179.2-74.1-0.9112.3I163 V164 S169 C170 M171 E193 L194I163-R167 WeakPolarHBondContact O-CG 3.39Å; I163-R167 PolarHBondContact O-N 3.35Å; V164-R167 PolarHBondContact O-N 2.92Å; R167-S169 VanDerWaalsContact C-N 3.28Å; R167-S169 PolarHBondContact O-N 2.98Å; R167-C170 PolarHBondContact O-N 3.08Å; R167-M171 VanDerWaalsContact O-CG 3.29Å; R167-M171 WeakPolarHBondContact O-CG 3.19Å; R167-M171 PolarHBondContact O-N 2.98Å; R167-E193 PolarHBondContact NH1-O 3.48Å; R167-E193 PolarHBondContact NH2-O 3.38Å; R167-L194 HydrophobicContact CB-CD2 4.36Å; R167-L194 HydrophobicContact CG-CD2 3.54Å
168M96.3Very high96.4Very high87 Ų8767 Ų6743%0.42937%0.372SS..Hα-helixtrans-63.2-35.7177.7-70.8-172.7-6100112.2V164 L165 Q166 M171 N172V164-M168 HydrophobicContact CG1-CE 4.02Å; V164-M168 HydrophobicContact CG1-SD 4.47Å; V164-M168 WeakPolarHBondContact O-CG 3.32Å; V164-M168 PolarHBondContact O-N 3.23Å; L165-M168 HydrophobicContact CD2-CE 3.58Å; L165-M168 HydrophobicContact CG-CE 4.48Å; L165-M168 PolarHBondContact O-N 2.84Å; Q166-M168 PolarHBondContact O-N 3.02Å; M168-M171 PolarHBondContact O-N 3.31Å; M168-N172 PolarHBondContact O-N 3.26Å; M168-N172 PolarHBondContact O-ND2 2.88Å
169S95.6Very high96.4Very high28 Ų2866.7 Ų66.720%0.19637%0.37CS..Hα-helixtrans-65.7-45.5175-171.20000111.4L165 Q166 R167 M171 N172 C173L165-S169 VanDerWaalsContact O-CB 3.26Å; L165-S169 WeakPolarHBondContact O-CB 3.39Å; L165-S169 PolarHBondContact O-N 3.02Å; Q166-S169 WeakPolarHBondContact O-CB 3.3Å; Q166-S169 PolarHBondContact O-N 3.46Å; R167-S169 VanDerWaalsContact C-N 3.28Å; R167-S169 PolarHBondContact O-N 2.98Å; S169-M171 PolarHBondContact O-N 3.42Å; S169-N172 CarbonylContact O-C 3.51Å; S169-N172 PolarHBondContact O-N 3.38Å; S169-N172 VanDerWaalsContact O-N 3.16Å; S169-C173 PolarHBondContact O-N 3.29Å; S169-C173 VanDerWaalsContact O-N 3.15Å; S169-C173 PolarHBondContact O-SG 2.97Å
170C95.2Very high96.4Very high32 Ų3265.8 Ų65.822%0.21637%0.371CS..Hα-helixtrans-60-43174.4-68.90000112.4Q166 R167 N172 C173Q166-C170 PolarHBondContact O-N 2.89Å; Q166-C170 PolarHBondContact O-SG 3.03Å; Q166-C170 VanDerWaalsContact O-SG 3.38Å; R167-C170 PolarHBondContact O-N 3.08Å; C170-N172 PolarHBondContact O-N 3.44Å; C170-C173 WeakPolarHBondContact O-CB 3.34Å; C170-C173 PolarHBondContact O-N 3.48Å; C170-C173 VanDerWaalsContact O-N 3.12Å
171M95.3Very high96.4Very high154 Ų15469.2 Ų69.276%0.75939%0.387SS*.Hα-helixtrans-62.7-26.1177.4-71.6173.165.400113.3R167 M168 S169R167-M171 VanDerWaalsContact O-CG 3.29Å; R167-M171 WeakPolarHBondContact O-CG 3.19Å; R167-M171 PolarHBondContact O-N 2.98Å; M168-M171 PolarHBondContact O-N 3.31Å; S169-M171 PolarHBondContact O-N 3.42Å
172N95.2Very high96.4Very high119 Ų11966.7 Ų66.764%0.63637%0.374SS*.THydrogen-bonded Turntrans-101.811.8178.3-68.3-58.4000112.8M168 S169 C170M168-N172 PolarHBondContact O-N 3.26Å; M168-N172 PolarHBondContact O-ND2 2.88Å; S169-N172 CarbonylContact O-C 3.51Å; S169-N172 PolarHBondContact O-N 3.38Å; S169-N172 VanDerWaalsContact O-N 3.16Å; C170-N172 PolarHBondContact O-N 3.44Å
173C95.7Very high96.3Very high46 Ų4664.7 Ų64.731%0.31137%0.365SS..  trans-67.3138.9173.2-83.50000110.7S169 C170 D177S169-C173 PolarHBondContact O-N 3.29Å; S169-C173 VanDerWaalsContact O-N 3.15Å; S169-C173 PolarHBondContact O-SG 2.97Å; C170-C173 WeakPolarHBondContact O-CB 3.34Å; C170-C173 PolarHBondContact O-N 3.48Å; C170-C173 VanDerWaalsContact O-N 3.12Å; C173-D177 WeakPolarHBondContact CA-OD2 3.35Å; C173-D177 HydrophobicContact CB-CB 4.28Å
174S95.7Very high95.9Very high81 Ų8170.4 Ų70.457%0.56639%0.39SS*.  trans-111.3168.6174.5-63.50000111.2G176 D177S174-G176 PolarHBondContact O-N 3.36Å; S174-D177 PolarHBondContact N-OD2 2.93Å; S174-D177 VanDerWaalsContact N-OD2 3.1Å; S174-D177 WeakPolarHBondContact O-CB 3.25Å; S174-D177 PolarHBondContact O-N 3.27Å
175D95.9Very high95.5Very high146 Ų14670 Ų7078%0.78139%0.388SS*.THydrogen-bonded Turntrans-57122.2174.6-69.7-17.2000111.8K129K129-D175 PolarHBondContact NZ-O 3.28Å
176G96Very high95.2Very high39 Ų3968 Ų6840%0.40239%0.391SS..THydrogen-bonded Turntrans96-1.2-176.700000114.5A128 K129 S174A128-G176 CarbonylContact C-O 3.46Å; A128-G176 WeakPolarHBondContact CA-O 3.32Å; K129-G176 PolarHBondContact N-O 3.12Å; S174-G176 PolarHBondContact O-N 3.36Å
177D97.8Very high94.9Very high35 Ų3578.2 Ų78.219%0.18743%0.43CS..EExtended strand (participates in β ladder)trans-75.9143.3167-70-2.4000110.2K130 C173 S174K130-D177 HydrophobicContact CB-CB 4.46Å; K130-D177 VanDerWaalsContact CB-OD1 3.31Å; K130-D177 WeakPolarHBondContact CB-OD1 3.29Å; K130-D177 WeakPolarHBondContact CE-OD2 3.3Å; K130-D177 IonicContact NZ-OD2 2.77Å; K130-D177 PolarHBondContact NZ-OD2 2.93Å; K130-D177 WeakPolarHBondContact O-CA 3.4Å; C173-D177 WeakPolarHBondContact CA-OD2 3.35Å; C173-D177 HydrophobicContact CB-CB 4.28Å; S174-D177 PolarHBondContact N-OD2 2.93Å; S174-D177 VanDerWaalsContact N-OD2 3.1Å; S174-D177 WeakPolarHBondContact O-CB 3.25Å; S174-D177 PolarHBondContact O-N 3.27Å
178V97.9Very high94.7Very high28 Ų2876.1 Ų76.117%0.1743%0.426CS..EExtended strand (participates in β ladder)trans-120.7128.2177.1177.80000109.9L124 L125 A128 K130 I131 A132 V180L124-V178 HydrophobicContact CB-CG2 4.41Å; L125-V178 HydrophobicContact CD2-CB 4.48Å; L125-V178 HydrophobicContact CD2-CG1 3.83Å; A128-V178 HydrophobicContact CB-CB 4.08Å; A128-V178 HydrophobicContact CB-CG2 3.66Å; K130-V178 PolarHBondContact O-N 3.49Å; I131-V178 CarbonylContact C-O 3.58Å; I131-V178 WeakPolarHBondContact CA-O 3.26Å; A132-V178 PolarHBondContact N-O 3.46Å; V178-V180 HydrophobicContact CG1-CG2 4.31Å
179V97.1Very high94.4Very high52 Ų5278.4 Ų78.432%0.31543%0.434SS..EExtended strand (participates in β ladder)trans-105.7127.4174.1-178.60000109.3A132 F134 L181A132-V179 HydrophobicContact CB-CG2 4.41Å; A132-V179 WeakPolarHBondContact O-CA 3.3Å; F134-V179 HydrophobicContact CD2-CG1 3.59Å; F134-V179 HydrophobicContact CE2-CG1 3.59Å; V179-L181 HydrophobicContact CG1-CD2 3.54Å; V179-L181 HydrophobicContact CG1-CG 4.16Å
180V97.4Very high94.3Very high39 Ų3980.1 Ų80.124%0.23644%0.441CS..EExtended strand (participates in β ladder)trans-111.8109.6177.1-1770000108.7L125 I131 A132 F133 F134 V178 I182L125-V180 HydrophobicContact CD2-CG2 3.84Å; I131-V180 HydrophobicContact CG2-CG2 4.22Å; A132-V180 PolarHBondContact O-N 3.4Å; F133-V180 HydrophobicContact CD1-CB 3.57Å; F133-V180 HydrophobicContact CD1-CG1 3.79Å; F133-V180 HydrophobicContact CD1-CG2 4.08Å; F133-V180 HydrophobicContact CE1-CB 3.76Å; F133-V180 HydrophobicContact CE1-CG1 3.88Å; F133-V180 HydrophobicContact CE1-CG2 3.77Å; F133-V180 HydrophobicContact CG-CB 4.48Å; F133-V180 HydrophobicContact CZ-CG2 4.46Å; F134-V180 PolarHBondContact N-O 3.21Å; V178-V180 HydrophobicContact CG1-CG2 4.31Å; V180-I182 HydrophobicContact CG1-CG1 4.35Å
181L96.8Very high94.2Very high81 Ų8178.9 Ų78.942%0.42443%0.432SS..EExtended strand (participates in β ladder)trans-96.2121.9178.5-53.8-177.6000110F134 V179 L191 L194F134-L181 HydrophobicContact CB-CD2 3.82Å; F134-L181 HydrophobicContact CD2-CD2 3.65Å; F134-L181 HydrophobicContact CG-CD2 4.21Å; V179-L181 HydrophobicContact CG1-CD2 3.54Å; V179-L181 HydrophobicContact CG1-CG 4.16Å; L181-L191 WeakPolarHBondContact CD1-O 3.41Å; L181-L191 HydrophobicContact CD2-CD2 4.45Å; L181-L194 HydrophobicContact CD1-CD1 4.36Å; L181-L194 HydrophobicContact CD2-CD1 3.6Å
182I96.6Very high93.9Very high36 Ų3676.4 Ų76.419%0.18543%0.426CS..EExtended strand (participates in β ladder)trans-107.5119178.5-60.8165000108.6F134 S139 V142 A143 V180 L191F134-I182 PolarHBondContact O-N 3.46Å; S139-I182 VanDerWaalsContact CB-O 3.27Å; S139-I182 WeakPolarHBondContact CB-O 3.4Å; V142-I182 HydrophobicContact CB-CD1 4.37Å; V142-I182 HydrophobicContact CB-CG2 4.2Å; V142-I182 HydrophobicContact CG1-CD1 4.03Å; V142-I182 HydrophobicContact CG1-CG2 4.27Å; A143-I182 VanDerWaalsContact CA-CD1 3.47Å; A143-I182 HydrophobicContact CB-CD1 3.76Å; V180-I182 HydrophobicContact CG1-CG1 4.35Å; I182-L191 WeakPolarHBondContact O-CD1 3.31Å
183S95Very high93.7Very high29 Ų2975.3 Ų75.320%0.20342%0.416CS..  trans-145.4117.8-179.4173.50000110T185 G186 T188S183-T185 PolarHBondContact O-N 3.45Å; S183-G186 PolarHBondContact O-N 2.87Å; S183-G186 VanDerWaalsContact O-N 3.09Å; S183-G186 PolarHBondContact OG-N 2.87Å; S183-T188 PolarHBondContact OG-OG1 3.47Å
184H88.7Confident93.4Very high173 Ų17376.5 Ų76.580%0.80142%0.419SS*.THydrogen-bonded Turntrans-51.3-40.8177.4178.862.9000113.4S139S139-H184 PolarHBondContact OG-N 2.92Å
185T88.4Confident93.3Very high84 Ų8476.3 Ų76.352%0.51541%0.412SS..THydrogen-bonded Turntrans-94-9.2-177.7620000114S183 R187S183-T185 PolarHBondContact O-N 3.45Å; T185-R187 WeakPolarHBondContact O-CG 2.99Å; T185-R187 PolarHBondContact O-N 2.95Å; T185-R187 PolarHBondContact OG1-N 2.92Å; T185-R187 VanDerWaalsContact OG1-N 3.13Å
186G90.1Very high93.1Very high55 Ų5572.6 Ų72.657%0.56739%0.392SS*.SBendtrans59.36.3-164.700000115.6S183S183-G186 PolarHBondContact O-N 2.87Å; S183-G186 VanDerWaalsContact O-N 3.09Å; S183-G186 PolarHBondContact OG-N 2.87Å
187R89.9Confident93Very high214 Ų21474.4 Ų74.481%0.80839%0.392SS*.  trans-123.711.8-171.2-66175.1-176.2177.11.5113.6T185 K189T185-R187 WeakPolarHBondContact O-CG 2.99Å; T185-R187 PolarHBondContact O-N 2.95Å; T185-R187 PolarHBondContact OG1-N 2.92Å; T185-R187 VanDerWaalsContact OG1-N 3.13Å; R187-K189 PolarHBondContact O-N 3.15Å
188T91.3Very high92.7Very high40 Ų4076.8 Ų76.825%0.24540%0.404CS..  trans-62.7103.6179.4-58.40000109.5L136 S183 N190 L191 V192L136-T188 HydrophobicContact CD1-CG2 3.82Å; S183-T188 PolarHBondContact OG-OG1 3.47Å; T188-N190 VanDerWaalsContact C-N 3.32Å; T188-N190 PolarHBondContact O-N 3.25Å; T188-L191 HydrophobicContact CG2-CD1 4.13Å; T188-L191 HydrophobicContact CG2-CG 4.07Å; T188-L191 WeakPolarHBondContact O-CB 3.36Å; T188-L191 PolarHBondContact O-N 3.09Å; T188-V192 PolarHBondContact O-N 3.1Å; T188-V192 VanDerWaalsContact O-N 3.08Å
189K91.9Very high92.4Very high136 Ų13679.8 Ų79.859%0.59142%0.419SS*.Hα-helixtrans-48.1-49.6-168.9-175.8179.2179.1-175.70113.4R187 L191 V192 E193R187-K189 PolarHBondContact O-N 3.15Å; K189-L191 PolarHBondContact O-N 3Å; K189-V192 PolarHBondContact O-N 3.11Å; K189-V192 VanDerWaalsContact O-N 3.11Å; K189-E193 VanDerWaalsContact CE-CD 3.42Å; K189-E193 WeakPolarHBondContact CE-OE1 3.48Å; K189-E193 WeakPolarHBondContact CE-OE2 3.4Å; K189-E193 HydrophobicContact CG-CG 4.25Å; K189-E193 WeakPolarHBondContact CG-OE1 3.41Å; K189-E193 IonicContact NZ-OE1 2.63Å; K189-E193 WeakPolarHBondContact O-CB 3.45Å; K189-E193 WeakPolarHBondContact O-CG 3.41Å; K189-E193 PolarHBondContact O-N 2.89Å
190N92.5Very high92Very high63 Ų6381.7 Ų81.734%0.33743%0.426SS..Hα-helixtrans-61.6-27.5-178.8-67.5-33.6000114L136 I163 T188 L194L136-N190 HydrophobicContact CD1-CB 4.08Å; I163-N190 HydrophobicContact CD1-CB 4.04Å; I163-N190 WeakPolarHBondContact CD1-ND2 3.46Å; I163-N190 HydrophobicContact CG1-CB 4.18Å; I163-N190 HydrophobicContact CG2-CB 4.2Å; T188-N190 VanDerWaalsContact C-N 3.32Å; T188-N190 PolarHBondContact O-N 3.25Å; N190-L194 WeakPolarHBondContact O-CG 3.43Å
191L92.5Very high91.7Very high7 Ų784.7 Ų84.74%0.03744%0.439CS..Hα-helixtrans-83.8-35.7175.5-64.2179.7000111.9F134 L136 Q166 L181 I182 T188 K189 E193 L194F134-L191 HydrophobicContact CB-CD2 4.29Å; L136-L191 HydrophobicContact CD1-CG 4.44Å; L136-L191 HydrophobicContact CG-CD2 4.44Å; L136-L191 HydrophobicContact CG-CG 4.47Å; Q166-L191 VanDerWaalsContact OE1-CD2 3.32Å; L181-L191 WeakPolarHBondContact CD1-O 3.41Å; L181-L191 HydrophobicContact CD2-CD2 4.45Å; I182-L191 WeakPolarHBondContact O-CD1 3.31Å; T188-L191 HydrophobicContact CG2-CD1 4.13Å; T188-L191 HydrophobicContact CG2-CG 4.07Å; T188-L191 WeakPolarHBondContact O-CB 3.36Å; T188-L191 PolarHBondContact O-N 3.09Å; K189-L191 PolarHBondContact O-N 3Å; L191-E193 VanDerWaalsContact C-N 3.28Å; L191-E193 PolarHBondContact O-N 3.08Å; L191-L194 HydrophobicContact CD2-CD1 4Å; L191-L194 PolarHBondContact O-N 2.97Å
192V90.3Very high91.3Very high102 Ų10285 Ų8562%0.61844%0.44SS*.Hα-helixtrans-68.5-31178176.80000111.4T188 K189T188-V192 PolarHBondContact O-N 3.1Å; T188-V192 VanDerWaalsContact O-N 3.08Å; K189-V192 PolarHBondContact O-N 3.11Å; K189-V192 VanDerWaalsContact O-N 3.11Å
193E90.2Very high90.8Very high95 Ų9589.1 Ų89.144%0.44446%0.461SS..THydrogen-bonded Turntrans-93.114.5-179.3-64.8178.5165.300113.9R167 K189 L191R167-E193 PolarHBondContact NH1-O 3.48Å; R167-E193 PolarHBondContact NH2-O 3.38Å; K189-E193 VanDerWaalsContact CE-CD 3.42Å; K189-E193 WeakPolarHBondContact CE-OE1 3.48Å; K189-E193 WeakPolarHBondContact CE-OE2 3.4Å; K189-E193 HydrophobicContact CG-CG 4.25Å; K189-E193 WeakPolarHBondContact CG-OE1 3.41Å; K189-E193 IonicContact NZ-OE1 2.63Å; K189-E193 WeakPolarHBondContact O-CB 3.45Å; K189-E193 WeakPolarHBondContact O-CG 3.41Å; K189-E193 PolarHBondContact O-N 2.89Å; L191-E193 VanDerWaalsContact C-N 3.28Å; L191-E193 PolarHBondContact O-N 3.08Å
194L89.2Confident90.5Very high71 Ų7194.5 Ų94.537%0.37249%0.485SS..  trans-67.20177.1-81176.4000112.6F134 Q166 R167 L181 N190 L191F134-L194 HydrophobicContact CD2-CD1 3.93Å; Q166-L194 HydrophobicContact CB-CD1 4.36Å; Q166-L194 HydrophobicContact CB-CD2 3.9Å; R167-L194 HydrophobicContact CB-CD2 4.36Å; R167-L194 HydrophobicContact CG-CD2 3.54Å; L181-L194 HydrophobicContact CD1-CD1 4.36Å; L181-L194 HydrophobicContact CD2-CD1 3.6Å; N190-L194 WeakPolarHBondContact O-CG 3.43Å; L191-L194 HydrophobicContact CD2-CD1 4Å; L191-L194 PolarHBondContact O-N 2.97Å

Retrieved 194 of 194 residues in 503.4 ms (Link to these results)

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