| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 84 | Confident | 89.7 | Confident | 51 Ų | 51 | 43.5 Ų | 43.5 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | 0 | -81 | 0 | -67.7 | -173.2 | -62.2 | 0 | 0 | 111.7 | K3 T4 A5 F285 A289 I292 F371 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.22Å; M1-T4 WeakPolarHBondContact O-CA 3.36Å; M1-T4 VanDerWaalsContact O-CB 3.28Å; M1-T4 WeakPolarHBondContact O-CB 3.49Å; M1-T4 PolarHBondContact O-N 3.14Å; M1-A5 PolarHBondContact O-N 3.19Å; M1-F285 HydrophobicContact CB-CE1 4.29Å; M1-F285 HydrophobicContact CB-CZ 3.97Å; M1-A289 HydrophobicContact CB-CB 4.32Å; M1-A289 HydrophobicContact CE-CB 3.91Å; M1-I292 HydrophobicContact CE-CB 3.87Å; M1-I292 HydrophobicContact CE-CD1 3.49Å; M1-I292 VanDerWaalsContact CE-CD1 3.49Å; M1-I292 HydrophobicContact CE-CG1 4.25Å; M1-I292 HydrophobicContact CE-CG2 3.8Å; M1-I292 HydrophobicContact SD-CD1 3.65Å; M1-F371 HydrophobicContact CG-CD2 4.01Å | |||
| 2 | L | 89.2 | Confident | 90 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.6 | -40.5 | -175.1 | -60.7 | -176.6 | 0 | 0 | 0 | 114.1 | T4 A5 S6 Y178 F285 A289 | L2-T4 PolarHBondContact O-N 2.85Å; L2-A5 PolarHBondContact O-N 3.34Å; L2-S6 WeakPolarHBondContact O-CB 3.1Å; L2-S6 PolarHBondContact O-N 2.98Å; L2-Y178 HydrophobicContact CB-CD2 4.25Å; L2-Y178 HydrophobicContact CD2-CD1 4.39Å; L2-Y178 HydrophobicContact CD2-CD2 3.74Å; L2-Y178 HydrophobicContact CD2-CE2 4.09Å; L2-Y178 HydrophobicContact CD2-CG 3.88Å; L2-F285 HydrophobicContact CD2-CD1 4.26Å; L2-F285 HydrophobicContact CD2-CE1 4.2Å; L2-A289 HydrophobicContact CD2-CB 3.63Å; L2-A289 HydrophobicContact CG-CB 3.89Å |
| 3 | K | 88.2 | Confident | 90.2 | Very high | 107 Ų | 107 | 42.5 Ų | 42.5 | 47% | 0.465 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 173.6 | -74.5 | -175.2 | 178.9 | 178.3 | 0 | 113.3 | M1 S7 P386 Y388 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.22Å; K3-S7 VanDerWaalsContact O-CB 3.27Å; K3-S7 WeakPolarHBondContact O-CB 2.94Å; K3-S7 PolarHBondContact O-N 3.49Å; K3-P386 HydrophobicContact CD-CG 4.07Å; K3-Y388 WeakPolarHBondContact CD-OH 3.35Å; K3-Y388 WeakPolarHBondContact CE-OH 3.43Å; K3-Y388 VanDerWaalsContact NZ-CE1 3.29Å; K3-Y388 PolarHBondContact NZ-OH 2.95Å |
| 4 | T | 89.2 | Confident | 90.5 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | 175.8 | -45.2 | 0 | 0 | 0 | 0 | 110.2 | M1 L2 S7 Y8 F371 G382 L384 | M1-T4 WeakPolarHBondContact O-CA 3.36Å; M1-T4 VanDerWaalsContact O-CB 3.28Å; M1-T4 WeakPolarHBondContact O-CB 3.49Å; M1-T4 PolarHBondContact O-N 3.14Å; L2-T4 PolarHBondContact O-N 2.85Å; T4-S7 PolarHBondContact O-N 3.26Å; T4-Y8 WeakPolarHBondContact O-CB 3.39Å; T4-Y8 PolarHBondContact O-N 3.47Å; T4-F371 HydrophobicContact CG2-CE2 3.86Å; T4-F371 HydrophobicContact CG2-CZ 3.61Å; T4-G382 WeakPolarHBondContact CG2-O 3.46Å; T4-L384 HydrophobicContact CG2-CG 4.49Å; T4-L384 PolarHBondContact OG1-N 3.46Å |
| 5 | A | 90.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 L2 S7 Y8 Y9 Y178 F285 L380 | M1-A5 PolarHBondContact O-N 3.19Å; L2-A5 PolarHBondContact O-N 3.34Å; A5-S7 VanDerWaalsContact C-N 3.33Å; A5-S7 PolarHBondContact O-N 3.49Å; A5-Y8 WeakPolarHBondContact O-CB 3.32Å; A5-Y8 PolarHBondContact O-N 3.39Å; A5-Y8 VanDerWaalsContact O-N 3.14Å; A5-Y9 HydrophobicContact CB-CE2 4Å; A5-Y9 VanDerWaalsContact O-CD2 3.25Å; A5-Y9 WeakPolarHBondContact O-CD2 3.35Å; A5-Y9 PolarHBondContact O-N 2.9Å; A5-Y178 HydrophobicContact CB-CE2 3.77Å; A5-F285 HydrophobicContact CB-CD1 4.04Å; A5-F285 HydrophobicContact CB-CE1 3.51Å; A5-F285 HydrophobicContact CB-CZ 4.15Å; A5-L380 HydrophobicContact CB-CD1 4.24Å; A5-L380 HydrophobicContact CB-CD2 4.2Å |
| 6 | S | 90.7 | Very high | 91 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | L2 Y8 Y9 Q10 S176 A177 | L2-S6 WeakPolarHBondContact O-CB 3.1Å; L2-S6 PolarHBondContact O-N 2.98Å; S6-Y8 VanDerWaalsContact C-N 3.32Å; S6-Y9 PolarHBondContact O-N 3.21Å; S6-Q10 WeakPolarHBondContact O-CB 3.23Å; S6-Q10 WeakPolarHBondContact O-CG 3.39Å; S6-Q10 PolarHBondContact O-N 3.43Å; S6-S176 WeakPolarHBondContact OG-CA 3.18Å; S6-A177 PolarHBondContact OG-N 2.86Å |
| 7 | S | 90.2 | Very high | 91.2 | Very high | 50 Ų | 50 | 34 Ų | 34 | 35% | 0.35 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | K3 T4 A5 K11 | K3-S7 VanDerWaalsContact O-CB 3.27Å; K3-S7 WeakPolarHBondContact O-CB 2.94Å; K3-S7 PolarHBondContact O-N 3.49Å; T4-S7 PolarHBondContact O-N 3.26Å; A5-S7 VanDerWaalsContact C-N 3.33Å; A5-S7 PolarHBondContact O-N 3.49Å; S7-K11 VanDerWaalsContact O-CB 3.28Å; S7-K11 WeakPolarHBondContact O-CB 3.36Å; S7-K11 PolarHBondContact O-N 3.34Å |
| 8 | Y | 91.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.5 | -45.6 | 175.9 | 176.4 | -113.3 | 0 | 0 | 0 | 111.5 | T4 A5 S6 Q10 K11 Q12 V73 P128 N379 L380 E381 | T4-Y8 WeakPolarHBondContact O-CB 3.39Å; T4-Y8 PolarHBondContact O-N 3.47Å; A5-Y8 WeakPolarHBondContact O-CB 3.32Å; A5-Y8 PolarHBondContact O-N 3.39Å; A5-Y8 VanDerWaalsContact O-N 3.14Å; S6-Y8 VanDerWaalsContact C-N 3.32Å; Y8-Q10 PolarHBondContact O-N 2.88Å; Y8-K11 PolarHBondContact O-N 3.41Å; Y8-Q12 HydrophobicContact CD2-CG 4.07Å; Y8-Q12 HydrophobicContact CE2-CG 3.71Å; Y8-Q12 WeakPolarHBondContact O-CG 3.05Å; Y8-Q12 PolarHBondContact O-N 2.75Å; Y8-V73 HydrophobicContact CE2-CG2 4.15Å; Y8-P128 HydrophobicContact CE1-CB 3.88Å; Y8-N379 WeakPolarHBondContact CE1-O 3.27Å; Y8-L380 HydrophobicContact CD1-CD2 3.58Å; Y8-L380 HydrophobicContact CE1-CD2 4.19Å; Y8-L380 HydrophobicContact CG-CD2 4.1Å; Y8-E381 HydrophobicContact CD2-CB 4.46Å; Y8-E381 HydrophobicContact CD2-CG 3.83Å; Y8-E381 HydrophobicContact CE2-CG 4.05Å |
| 9 | Y | 92 | Very high | 91.5 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | 177.3 | -57.3 | -27.6 | 0 | 0 | 0 | 112.7 | A5 S6 N13 L14 I131 A177 Y178 Y282 | A5-Y9 HydrophobicContact CB-CE2 4Å; A5-Y9 VanDerWaalsContact O-CD2 3.25Å; A5-Y9 WeakPolarHBondContact O-CD2 3.35Å; A5-Y9 PolarHBondContact O-N 2.9Å; S6-Y9 PolarHBondContact O-N 3.21Å; Y9-N13 WeakPolarHBondContact O-CA 3.42Å; Y9-N13 PolarHBondContact O-N 3.25Å; Y9-L14 HydrophobicContact CD1-CB 4.43Å; Y9-L14 HydrophobicContact CD1-CD2 3.52Å; Y9-L14 HydrophobicContact CD2-CD2 4.27Å; Y9-L14 HydrophobicContact CE1-CD2 3.95Å; Y9-L14 HydrophobicContact CG-CB 4.41Å; Y9-L14 HydrophobicContact CG-CD2 3.73Å; Y9-L14 PolarHBondContact O-N 3.11Å; Y9-I131 HydrophobicContact CE1-CD1 4Å; Y9-I131 HydrophobicContact CE1-CG1 3.97Å; Y9-I131 WeakPolarHBondContact OH-CD1 3.33Å; Y9-I131 WeakPolarHBondContact OH-CG1 3.46Å; Y9-A177 HydrophobicContact CD2-CB 3.82Å; Y9-A177 HydrophobicContact CE2-CB 4.37Å; Y9-Y178 AromaticContact CE2-CE2 3.67Å; Y9-Y178 HydrophobicContact CE2-CE2 3.67Å; Y9-Y178 AromaticContact CE2-CZ 3.79Å; Y9-Y178 WeakPolarHBondContact CE2-OH 3.5Å; Y9-Y178 PolarHBondContact OH-OH 2.87Å; Y9-Y282 HydrophobicContact CD2-CE2 4.09Å; Y9-Y282 AromaticContact CE2-CD2 3.66Å; Y9-Y282 HydrophobicContact CE2-CD2 3.66Å; Y9-Y282 AromaticContact CE2-CE2 3.53Å; Y9-Y282 HydrophobicContact CE2-CE2 3.53Å |
| 10 | Q | 91 | Very high | 91.6 | Very high | 84 Ų | 84 | 33.9 Ų | 33.9 | 39% | 0.393 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 173.8 | -75.8 | 174.8 | -12 | 0 | 0 | 111.4 | S6 Y8 Q12 N13 S175 | S6-Q10 WeakPolarHBondContact O-CB 3.23Å; S6-Q10 WeakPolarHBondContact O-CG 3.39Å; S6-Q10 PolarHBondContact O-N 3.43Å; Y8-Q10 PolarHBondContact O-N 2.88Å; Q10-Q12 VanDerWaalsContact C-N 3.29Å; Q10-Q12 PolarHBondContact O-N 3.36Å; Q10-N13 PolarHBondContact O-N 2.95Å; Q10-N13 PolarHBondContact O-OD1 2.97Å; Q10-N13 VanDerWaalsContact O-OD1 3.11Å; Q10-S175 PolarHBondContact NE2-O 3.23Å; Q10-S175 VanDerWaalsContact NE2-O 3.17Å |
| 11 | K | 91.2 | Very high | 91.5 | Very high | 117 Ų | 117 | 32.8 Ų | 32.8 | 51% | 0.509 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.4 | -38.2 | 178.7 | -173.3 | -174.8 | -178.6 | -165.8 | 0 | 112.4 | S7 Y8 E381 | S7-K11 VanDerWaalsContact O-CB 3.28Å; S7-K11 WeakPolarHBondContact O-CB 3.36Å; S7-K11 PolarHBondContact O-N 3.34Å; Y8-K11 PolarHBondContact O-N 3.41Å; K11-E381 IonicContact NZ-OE1 2.97Å; K11-E381 PolarHBondContact NZ-OE1 3.3Å; K11-E381 IonicContact NZ-OE2 3.57Å; K11-E381 PolarHBondContact NZ-OE2 2.87Å |
| 12 | Q | 92.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.3 | -179.5 | -57.6 | -50.1 | -23.1 | 0 | 0 | 114.2 | Y8 Q10 L14 R71 V73 P128 | Y8-Q12 HydrophobicContact CD2-CG 4.07Å; Y8-Q12 HydrophobicContact CE2-CG 3.71Å; Y8-Q12 WeakPolarHBondContact O-CG 3.05Å; Y8-Q12 PolarHBondContact O-N 2.75Å; Q10-Q12 VanDerWaalsContact C-N 3.29Å; Q10-Q12 PolarHBondContact O-N 3.36Å; Q12-L14 VanDerWaalsContact C-N 3.3Å; Q12-L14 PolarHBondContact O-N 3.33Å; Q12-R71 WeakPolarHBondContact CB-O 3.3Å; Q12-R71 PolarHBondContact O-N 2.91Å; Q12-R71 PolarHBondContact OE1-O 3.02Å; Q12-R71 VanDerWaalsContact OE1-O 3.09Å; Q12-V73 HydrophobicContact CG-CG2 4.19Å; Q12-P128 HydrophobicContact CB-CB 3.96Å; Q12-P128 HydrophobicContact CB-CG 3.81Å; Q12-P128 HydrophobicContact CG-CB 4.46Å |
| 13 | N | 93.5 | Very high | 91.3 | Very high | 56 Ų | 56 | 34.7 Ų | 34.7 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 50.8 | -176.2 | -64.3 | -23.3 | 0 | 0 | 0 | 112.8 | Y9 Q10 A15 T68 L69 N70 | Y9-N13 WeakPolarHBondContact O-CA 3.42Å; Y9-N13 PolarHBondContact O-N 3.25Å; Q10-N13 PolarHBondContact O-N 2.95Å; Q10-N13 PolarHBondContact O-OD1 2.97Å; Q10-N13 VanDerWaalsContact O-OD1 3.11Å; N13-A15 PolarHBondContact O-N 3.44Å; N13-T68 VanDerWaalsContact CB-O 3.23Å; N13-T68 WeakPolarHBondContact CB-O 3.3Å; N13-T68 PolarHBondContact ND2-O 2.74Å; N13-T68 VanDerWaalsContact ND2-O 3.1Å; N13-L69 HydrophobicContact CB-CD2 4.37Å; N13-L69 CarbonylContact O-C 3.6Å; N13-L69 VanDerWaalsContact O-CA 3.31Å; N13-L69 WeakPolarHBondContact O-CA 3.46Å; N13-N70 PolarHBondContact O-N 3.24Å |
| 14 | L | 93.7 | Very high | 91.3 | Very high | 13 Ų | 13 | 30.3 Ų | 30.3 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | trans | -55.3 | 135.5 | 175.4 | -178.3 | 59.4 | 0 | 0 | 0 | 109 | Y9 Q12 N70 P128 E129 R276 | Y9-L14 HydrophobicContact CD1-CB 4.43Å; Y9-L14 HydrophobicContact CD1-CD2 3.52Å; Y9-L14 HydrophobicContact CD2-CD2 4.27Å; Y9-L14 HydrophobicContact CE1-CD2 3.95Å; Y9-L14 HydrophobicContact CG-CB 4.41Å; Y9-L14 HydrophobicContact CG-CD2 3.73Å; Y9-L14 PolarHBondContact O-N 3.11Å; Q12-L14 VanDerWaalsContact C-N 3.3Å; Q12-L14 PolarHBondContact O-N 3.33Å; L14-N70 WeakPolarHBondContact CA-OD1 3.27Å; L14-N70 WeakPolarHBondContact CD1-OD1 3.29Å; L14-P128 HydrophobicContact CB-CB 4.38Å; L14-P128 HydrophobicContact CD1-CB 4.1Å; L14-P128 HydrophobicContact CD1-CG 4.17Å; L14-E129 HydrophobicContact CD1-CG 3.81Å; L14-R276 HydrophobicContact CD2-CG 4.5Å; L14-R276 PolarHBondContact O-NH2 2.93Å | ||
| 15 | A | 94.7 | Very high | 91.4 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 5% | 0.05 | 16% | 0.164 | C | C | . | . | trans | -62.6 | 144 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | N13 L69 N70 L166 I167 R276 | N13-A15 PolarHBondContact O-N 3.44Å; A15-L69 HydrophobicContact CB-CD1 4.5Å; A15-N70 PolarHBondContact N-OD1 2.88Å; A15-L166 HydrophobicContact CB-CB 4.01Å; A15-L166 HydrophobicContact CB-CD2 4.35Å; A15-I167 CarbonylContact C-O 3.53Å; A15-R276 WeakPolarHBondContact O-CG 3.43Å; A15-R276 PolarHBondContact O-NE 3.01Å | ||
| 16 | D | 94.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -79.6 | -38.7 | 178.3 | -61.1 | -57.9 | 0 | 0 | 0 | 111 | I167 S168 Y169 L172 Y182 L186 R276 | D16-I167 PolarHBondContact N-O 3.48Å; D16-S168 WeakPolarHBondContact OD2-CA 3.4Å; D16-S168 WeakPolarHBondContact OD2-CB 3.5Å; D16-S168 PolarHBondContact OD2-OG 3.47Å; D16-Y169 HydrophobicContact CB-CD2 3.63Å; D16-Y169 HydrophobicContact CB-CE2 3.94Å; D16-Y169 PolarHBondContact OD2-N 3.3Å; D16-L172 HydrophobicContact CB-CD1 4.29Å; D16-Y182 PolarHBondContact OD1-OH 3.31Å; D16-Y182 VanDerWaalsContact OD1-OH 3.11Å; D16-L186 HydrophobicContact CB-CD1 3.94Å; D16-R276 PolarHBondContact O-N 3.46Å; D16-R276 IonicContact OD1-CZ 2.67Å; D16-R276 IonicContact OD1-NE 3.59Å; D16-R276 IonicContact OD1-NH1 2.79Å; D16-R276 PolarHBondContact OD1-NH1 2.96Å; D16-R276 IonicContact OD1-NH2 3.48Å; D16-R276 PolarHBondContact OD1-NH2 3.43Å |
| 17 | T | 94.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 140.1 | 177.9 | -64 | 0 | 0 | 0 | 0 | 110.7 | V19 I167 Y169 Q190 L273 F274 | T17-V19 HydrophobicContact CG2-CG2 4.24Å; T17-I167 PolarHBondContact N-O 3Å; T17-I167 WeakPolarHBondContact O-CB 3.33Å; T17-I167 PolarHBondContact O-N 3.08Å; T17-Y169 PolarHBondContact OG1-OH 2.8Å; T17-Q190 HydrophobicContact CG2-CG 4.27Å; T17-Q190 WeakPolarHBondContact OG1-CG 3.41Å; T17-Q190 PolarHBondContact OG1-NE2 2.85Å; T17-L273 HydrophobicContact CG2-CB 4.04Å; T17-L273 HydrophobicContact CG2-CD2 4.39Å; T17-L273 HydrophobicContact CG2-CG 4Å; T17-F274 WeakPolarHBondContact CA-O 3.49Å |
| 18 | R | 94.5 | Very high | 91.1 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 23% | 0.234 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.9 | 165.5 | -69.8 | 173.9 | 63.1 | -174.2 | -3 | 109.6 | E129 E164 L166 L273 F274 | R18-E129 IonicContact NH1-OE2 3.54Å; R18-E164 IonicContact CZ-OE2 3.9Å; R18-E164 IonicContact NE-OE2 2.93Å; R18-E164 PolarHBondContact NE-OE2 2.96Å; R18-E164 IonicContact NH2-OE1 3.63Å; R18-E164 IonicContact NH2-OE2 3.64Å; R18-E164 PolarHBondContact NH2-OE2 3.38Å; R18-L166 HydrophobicContact CG-CD2 3.9Å; R18-L273 WeakPolarHBondContact O-CA 3.39Å; R18-F274 HydrophobicContact CB-CB 4.39Å; R18-F274 PolarHBondContact N-O 3.1Å; R18-F274 PolarHBondContact O-N 3.34Å |
| 19 | V | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.4 | 176.1 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | T17 I25 E164 A165 I167 L193 L197 Y271 H272 L273 | T17-V19 HydrophobicContact CG2-CG2 4.24Å; V19-I25 HydrophobicContact CB-CD1 4.27Å; V19-I25 HydrophobicContact CG1-CD1 4.08Å; V19-I25 WeakPolarHBondContact O-CD1 3.27Å; V19-E164 CarbonylContact O-C 3.44Å; V19-E164 VanDerWaalsContact O-CA 3.24Å; V19-E164 WeakPolarHBondContact O-CA 3.28Å; V19-E164 WeakPolarHBondContact O-CB 3.26Å; V19-A165 HydrophobicContact CB-CB 4.29Å; V19-A165 PolarHBondContact N-O 2.76Å; V19-A165 PolarHBondContact O-N 2.93Å; V19-I167 HydrophobicContact CG2-CD1 4.4Å; V19-I167 HydrophobicContact CG2-CG1 3.76Å; V19-L193 HydrophobicContact CG2-CD2 4.15Å; V19-L197 HydrophobicContact CG1-CD1 4.08Å; V19-Y271 HydrophobicContact CG1-CD1 4Å; V19-H272 WeakPolarHBondContact CA-O 3.35Å; V19-L273 HydrophobicContact CG1-CD1 4.19Å; V19-L273 HydrophobicContact CG2-CD1 4.31Å; V19-L273 HydrophobicContact CG2-CG 4.15Å |
| 20 | V | 92 | Very high | 90.9 | Very high | 38 Ų | 38 | 35.9 Ų | 35.9 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.9 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | E164 Y271 H272 F274 | V20-E164 HydrophobicContact CG2-CB 4.24Å; V20-Y271 WeakPolarHBondContact O-CA 3.5Å; V20-H272 PolarHBondContact N-O 3.12Å; V20-H272 PolarHBondContact O-N 2.87Å; V20-F274 HydrophobicContact CB-CE2 4.06Å; V20-F274 HydrophobicContact CG2-CD2 4.18Å; V20-F274 HydrophobicContact CG2-CE2 3.85Å |
| 21 | S | 90.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.2 | 180 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | L23 G24 | S21-L23 PolarHBondContact O-N 2.81Å; S21-L23 VanDerWaalsContact O-N 3.13Å; S21-L23 PolarHBondContact OG-N 2.96Å; S21-G24 VanDerWaalsContact CB-O 3.25Å; S21-G24 WeakPolarHBondContact CB-O 3.47Å; S21-G24 PolarHBondContact O-N 2.73Å; S21-G24 PolarHBondContact OG-O 3.16Å |
| 22 | S | 83.9 | Confident | 90.6 | Very high | 78 Ų | 78 | 35.8 Ų | 35.8 | 55% | 0.545 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | -18.3 | 174.6 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | K270 | S22-K270 PolarHBondContact N-O 2.9Å; S22-K270 PolarHBondContact OG-N 2.91Å; S22-K270 VanDerWaalsContact OG-N 3.12Å |
| 23 | L | 84.7 | Confident | 90.4 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 34% | 0.335 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 11 | 179.8 | -62.1 | 176.6 | 0 | 0 | 0 | 113 | S21 L208 P269 | S21-L23 PolarHBondContact O-N 2.81Å; S21-L23 VanDerWaalsContact O-N 3.13Å; S21-L23 PolarHBondContact OG-N 2.96Å; L23-L208 HydrophobicContact CD1-CD2 3.86Å; L23-P269 HydrophobicContact CB-CB 4.45Å; L23-P269 HydrophobicContact CD1-CB 4Å; L23-P269 HydrophobicContact CD1-CG 4.44Å; L23-P269 HydrophobicContact CG-CB 4.28Å |
| 24 | G | 87.6 | Confident | 90.2 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.1 | 176.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S21 Y162 | S21-G24 VanDerWaalsContact CB-O 3.25Å; S21-G24 WeakPolarHBondContact CB-O 3.47Å; S21-G24 PolarHBondContact O-N 2.73Å; S21-G24 PolarHBondContact OG-O 3.16Å; G24-Y162 CarbonylContact C-O 3.53Å; G24-Y162 WeakPolarHBondContact CA-O 3.19Å |
| 25 | I | 91.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.7 | -175 | -56.2 | 178.5 | 0 | 0 | 0 | 109.7 | V19 E29 I30 F161 Y162 A165 | V19-I25 HydrophobicContact CB-CD1 4.27Å; V19-I25 HydrophobicContact CG1-CD1 4.08Å; V19-I25 WeakPolarHBondContact O-CD1 3.27Å; I25-E29 HydrophobicContact CG2-CB 4Å; I25-I30 HydrophobicContact CG2-CD1 4.35Å; I25-I30 HydrophobicContact CG2-CG1 3.84Å; I25-F161 CarbonylContact O-C 3.56Å; I25-Y162 PolarHBondContact N-O 2.96Å; I25-Y162 WeakPolarHBondContact O-CB 3.46Å; I25-Y162 WeakPolarHBondContact O-CD2 3.43Å; I25-Y162 PolarHBondContact O-N 3.31Å; I25-A165 HydrophobicContact CD1-CB 3.71Å |
| 26 | T | 89.6 | Confident | 89.3 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | trans | -83 | 157.7 | 177.3 | 62.8 | 0 | 0 | 0 | 0 | 112 | T28 E29 I30 F161 | T26-T28 PolarHBondContact O-N 3.42Å; T26-E29 WeakPolarHBondContact CB-OE2 3.35Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.22Å; T26-E29 PolarHBondContact N-OE2 3.06Å; T26-E29 PolarHBondContact O-N 2.96Å; T26-E29 WeakPolarHBondContact OG1-CB 3.45Å; T26-E29 VanDerWaalsContact OG1-CD 3.23Å; T26-E29 WeakPolarHBondContact OG1-CG 3.47Å; T26-E29 PolarHBondContact OG1-N 3.12Å; T26-E29 PolarHBondContact OG1-OE2 2.84Å; T26-I30 PolarHBondContact O-N 3.34Å; T26-I30 VanDerWaalsContact O-N 3.11Å; T26-F161 HydrophobicContact CG2-CD1 3.62Å; T26-F161 HydrophobicContact CG2-CE1 3.75Å | ||
| 27 | A | 88.6 | Confident | 88.8 | Confident | 55 Ų | 55 | 52.4 Ų | 52.4 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.1 | -30.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K31 Y162 | A27-K31 PolarHBondContact O-N 3.33Å; A27-Y162 HydrophobicContact CB-CE2 4.21Å |
| 28 | T | 87.4 | Confident | 88.4 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 56% | 0.558 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -69.4 | -40.3 | 176 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | T26 I30 K31 K32 | T26-T28 PolarHBondContact O-N 3.42Å; T28-I30 VanDerWaalsContact C-N 3.34Å; T28-K31 PolarHBondContact O-N 2.85Å; T28-K32 WeakPolarHBondContact O-CG 3.23Å; T28-K32 PolarHBondContact O-N 2.92Å |
| 29 | E | 88.2 | Confident | 88.3 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.2 | -74.9 | 162.2 | 143.9 | 0 | 0 | 111.7 | I25 T26 K31 K32 I33 V200 R204 Y271 | I25-E29 HydrophobicContact CG2-CB 4Å; T26-E29 WeakPolarHBondContact CB-OE2 3.35Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.22Å; T26-E29 PolarHBondContact N-OE2 3.06Å; T26-E29 PolarHBondContact O-N 2.96Å; T26-E29 WeakPolarHBondContact OG1-CB 3.45Å; T26-E29 VanDerWaalsContact OG1-CD 3.23Å; T26-E29 WeakPolarHBondContact OG1-CG 3.47Å; T26-E29 PolarHBondContact OG1-N 3.12Å; T26-E29 PolarHBondContact OG1-OE2 2.84Å; E29-K31 VanDerWaalsContact C-N 3.33Å; E29-K31 PolarHBondContact O-N 3.1Å; E29-K32 PolarHBondContact O-N 3.4Å; E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.4Å; E29-I33 PolarHBondContact O-N 3.39Å; E29-V200 HydrophobicContact CG-CG1 3.84Å; E29-R204 WeakPolarHBondContact OE1-CB 3.24Å; E29-R204 VanDerWaalsContact OE1-CD 3.3Å; E29-R204 WeakPolarHBondContact OE1-CD 3.07Å; E29-R204 VanDerWaalsContact OE1-CG 3.24Å; E29-R204 WeakPolarHBondContact OE1-CG 3.36Å; E29-R204 IonicContact OE1-NE 2.68Å; E29-R204 IonicContact OE2-NE 2.72Å; E29-Y271 PolarHBondContact OE1-OH 3.36Å |
| 30 | I | 90.8 | Very high | 88.3 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 174.3 | -68 | 162.4 | 0 | 0 | 0 | 110.8 | I25 T26 T28 K32 I33 E34 A41 Y162 A165 | I25-I30 HydrophobicContact CG2-CD1 4.35Å; I25-I30 HydrophobicContact CG2-CG1 3.84Å; T26-I30 PolarHBondContact O-N 3.34Å; T26-I30 VanDerWaalsContact O-N 3.11Å; T28-I30 VanDerWaalsContact C-N 3.34Å; I30-K32 VanDerWaalsContact C-N 3.33Å; I30-K32 PolarHBondContact O-N 2.89Å; I30-I33 WeakPolarHBondContact O-CB 3.41Å; I30-I33 PolarHBondContact O-N 2.97Å; I30-I33 VanDerWaalsContact O-N 3.08Å; I30-E34 PolarHBondContact O-N 3.48Å; I30-A41 HydrophobicContact CG2-CB 4.03Å; I30-A41 WeakPolarHBondContact CG2-O 3.35Å; I30-Y162 HydrophobicContact CD1-CD2 3.24Å; I30-Y162 HydrophobicContact CD1-CE2 3.43Å; I30-Y162 VanDerWaalsContact CD1-CE2 3.43Å; I30-Y162 HydrophobicContact CD1-CG 4.04Å; I30-A165 HydrophobicContact CG1-CB 4.49Å |
| 31 | K | 89.7 | Confident | 88.4 | Confident | 142 Ų | 142 | 53.1 Ų | 53.1 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 176 | -70.5 | -179.1 | 179.7 | -176 | 0 | 112.4 | A27 T28 E29 I33 E34 E35 | A27-K31 PolarHBondContact O-N 3.33Å; T28-K31 PolarHBondContact O-N 2.85Å; E29-K31 VanDerWaalsContact C-N 3.33Å; E29-K31 PolarHBondContact O-N 3.1Å; K31-I33 VanDerWaalsContact C-N 3.26Å; K31-I33 PolarHBondContact O-N 3.4Å; K31-E34 PolarHBondContact O-N 3.46Å; K31-E34 VanDerWaalsContact O-N 3.1Å; K31-E35 WeakPolarHBondContact O-CG 3.44Å; K31-E35 PolarHBondContact O-N 3.48Å |
| 32 | K | 86.6 | Confident | 88.6 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -31.6 | 174.6 | -72.5 | -176.1 | 178.2 | -176.4 | 0 | 112.9 | T28 E29 I30 Q196 V200 | T28-K32 WeakPolarHBondContact O-CG 3.23Å; T28-K32 PolarHBondContact O-N 2.92Å; E29-K32 PolarHBondContact O-N 3.4Å; I30-K32 VanDerWaalsContact C-N 3.33Å; I30-K32 PolarHBondContact O-N 2.89Å; K32-Q196 PolarHBondContact O-NE2 2.86Å; K32-V200 HydrophobicContact CD-CG1 4.3Å; K32-V200 HydrophobicContact CD-CG2 4.09Å |
| 33 | I | 88.4 | Confident | 89.1 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.6 | -33 | 173.8 | -64.4 | 162.4 | 0 | 0 | 0 | 110.9 | E29 I30 K31 E35 V36 I39 A41 I167 L193 L197 | E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.4Å; E29-I33 PolarHBondContact O-N 3.39Å; I30-I33 WeakPolarHBondContact O-CB 3.41Å; I30-I33 PolarHBondContact O-N 2.97Å; I30-I33 VanDerWaalsContact O-N 3.08Å; K31-I33 VanDerWaalsContact C-N 3.26Å; K31-I33 PolarHBondContact O-N 3.4Å; I33-E35 VanDerWaalsContact C-N 3.32Å; I33-V36 VanDerWaalsContact O-CG2 3.31Å; I33-V36 WeakPolarHBondContact O-CG2 3.25Å; I33-V36 PolarHBondContact O-N 3.13Å; I33-I39 HydrophobicContact CG2-CG2 4Å; I33-A41 HydrophobicContact CB-CB 4.25Å; I33-A41 HydrophobicContact CG2-CB 3.87Å; I33-I167 HydrophobicContact CG2-CD1 3.66Å; I33-L193 HydrophobicContact CG1-CD1 4.34Å; I33-L193 HydrophobicContact CG2-CD1 3.7Å; I33-L197 HydrophobicContact CD1-CD2 4.02Å; I33-L197 HydrophobicContact CG1-CD2 4.01Å |
| 34 | E | 88.8 | Confident | 89.6 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -75.1 | -17.9 | 174.4 | -65.5 | -166.6 | 126.4 | 0 | 0 | 114 | I30 K31 V36 A41 | I30-E34 PolarHBondContact O-N 3.48Å; K31-E34 PolarHBondContact O-N 3.46Å; K31-E34 VanDerWaalsContact O-N 3.1Å; E34-V36 PolarHBondContact O-N 3.27Å; E34-A41 HydrophobicContact CG-CB 3.68Å; E34-A41 PolarHBondContact OE1-N 2.97Å |
| 35 | E | 86.3 | Confident | 90 | Very high | 147 Ų | 147 | 47.8 Ų | 47.8 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.8 | 173.1 | -74.3 | 168.7 | -173.6 | 0 | 0 | 112.4 | K31 I33 E37 | K31-E35 WeakPolarHBondContact O-CG 3.44Å; K31-E35 PolarHBondContact O-N 3.48Å; I33-E35 VanDerWaalsContact C-N 3.32Å; E35-E37 PolarHBondContact O-N 3.31Å |
| 36 | V | 84 | Confident | 90.1 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -68.6 | 128.3 | 172.9 | -167.5 | 0 | 0 | 0 | 0 | 109.9 | I33 E34 G38 I39 | I33-V36 VanDerWaalsContact O-CG2 3.31Å; I33-V36 WeakPolarHBondContact O-CG2 3.25Å; I33-V36 PolarHBondContact O-N 3.13Å; E34-V36 PolarHBondContact O-N 3.27Å; V36-G38 PolarHBondContact O-N 2.89Å; V36-I39 HydrophobicContact CB-CB 4.08Å; V36-I39 HydrophobicContact CB-CD1 3.52Å; V36-I39 HydrophobicContact CB-CG1 3.72Å; V36-I39 HydrophobicContact CG1-CD1 3.55Å; V36-I39 HydrophobicContact CG1-CG1 3.84Å; V36-I39 HydrophobicContact CG2-CD1 3.99Å; V36-I39 PolarHBondContact O-N 3.31Å; V36-I39 VanDerWaalsContact O-N 3.12Å |
| 37 | E | 82.9 | Confident | 90.2 | Very high | 194 Ų | 194 | 50.6 Ų | 50.6 | 91% | 0.907 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 127.9 | -180 | -168.2 | 177.2 | 177.4 | 0 | 0 | 110.8 | E35 I39 | E35-E37 PolarHBondContact O-N 3.31Å; E37-I39 VanDerWaalsContact C-N 3.33Å; E37-I39 PolarHBondContact O-N 3.38Å |
| 38 | G | 87.3 | Confident | 90.3 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 24% | 0.237 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -1.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | V36 K170 | V36-G38 PolarHBondContact O-N 2.89Å; G38-K170 WeakPolarHBondContact O-CB 3.47Å; G38-K170 WeakPolarHBondContact O-CG 3.43Å; G38-K170 PolarHBondContact O-N 3.15Å |
| 39 | I | 92.7 | Very high | 90.3 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 142.1 | 178.1 | -61.8 | -164.8 | 0 | 0 | 0 | 111.6 | I33 V36 E37 I167 Y169 L193 | I33-I39 HydrophobicContact CG2-CG2 4Å; V36-I39 HydrophobicContact CB-CB 4.08Å; V36-I39 HydrophobicContact CB-CD1 3.52Å; V36-I39 HydrophobicContact CB-CG1 3.72Å; V36-I39 HydrophobicContact CG1-CD1 3.55Å; V36-I39 HydrophobicContact CG1-CG1 3.84Å; V36-I39 HydrophobicContact CG2-CD1 3.99Å; V36-I39 PolarHBondContact O-N 3.31Å; V36-I39 VanDerWaalsContact O-N 3.12Å; E37-I39 VanDerWaalsContact C-N 3.33Å; E37-I39 PolarHBondContact O-N 3.38Å; I39-I167 HydrophobicContact CG2-CG2 3.73Å; I39-Y169 HydrophobicContact CD1-CD1 4.05Å; I39-Y169 HydrophobicContact CD1-CE1 3.6Å; I39-Y169 HydrophobicContact CG1-CD1 3.8Å; I39-Y169 HydrophobicContact CG1-CE1 3.9Å; I39-L193 HydrophobicContact CD1-CD1 4.27Å |
| 40 | K | 93.3 | Very high | 90.2 | Very high | 75 Ų | 75 | 45.4 Ų | 45.4 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.9 | 162.6 | -176.7 | 174.7 | -170.4 | 169.6 | 0 | 109.1 | E42 T68 I167 S168 | K40-E42 VanDerWaalsContact CE-OE1 3.25Å; K40-E42 WeakPolarHBondContact CE-OE1 3.37Å; K40-E42 IonicContact NZ-OE1 3.55Å; K40-T68 VanDerWaalsContact CE-OG1 3.25Å; K40-T68 WeakPolarHBondContact CE-OG1 3.45Å; K40-T68 PolarHBondContact NZ-OG1 3.24Å; K40-I167 WeakPolarHBondContact O-CA 3.35Å; K40-S168 PolarHBondContact N-O 3.33Å; K40-S168 PolarHBondContact O-N 3.01Å |
| 41 | A | 94.1 | Very high | 90 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I30 I33 E34 L166 I167 | I30-A41 HydrophobicContact CG2-CB 4.03Å; I30-A41 WeakPolarHBondContact CG2-O 3.35Å; I33-A41 HydrophobicContact CB-CB 4.25Å; I33-A41 HydrophobicContact CG2-CB 3.87Å; E34-A41 HydrophobicContact CG-CB 3.68Å; E34-A41 PolarHBondContact OE1-N 2.97Å; A41-L166 CarbonylContact C-O 3.59Å; A41-L166 WeakPolarHBondContact CA-O 3.13Å; A41-I167 HydrophobicContact CB-CD1 3.41Å; A41-I167 VanDerWaalsContact CB-CD1 3.41Å |
| 42 | E | 95 | Very high | 89.2 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 123.2 | 178.9 | -65.3 | 179 | 179 | 0 | 0 | 109.9 | K40 Q67 T68 L69 A165 L166 | K40-E42 VanDerWaalsContact CE-OE1 3.25Å; K40-E42 WeakPolarHBondContact CE-OE1 3.37Å; K40-E42 IonicContact NZ-OE1 3.55Å; E42-Q67 HydrophobicContact CB-CG 4.24Å; E42-Q67 HydrophobicContact CG-CG 4.42Å; E42-Q67 WeakPolarHBondContact OE2-CA 3.24Å; E42-Q67 WeakPolarHBondContact OE2-CB 3.38Å; E42-T68 VanDerWaalsContact CD-N 3.31Å; E42-T68 PolarHBondContact OE1-N 3.13Å; E42-T68 PolarHBondContact OE1-OG1 2.83Å; E42-T68 PolarHBondContact OE2-N 3.09Å; E42-L69 HydrophobicContact CB-CD1 4.4Å; E42-L69 HydrophobicContact CG-CD1 4.27Å; E42-L69 HydrophobicContact CG-CG 4.43Å; E42-L69 WeakPolarHBondContact OE2-CB 3.3Å; E42-L69 PolarHBondContact OE2-N 2.97Å; E42-A165 WeakPolarHBondContact O-CA 3.34Å; E42-L166 PolarHBondContact N-O 2.94Å; E42-L166 PolarHBondContact O-N 2.71Å |
| 43 | G | 94.5 | Very high | 88.7 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 136 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q67 Y162 | G43-Q67 PolarHBondContact O-NE2 2.89Å; G43-Y162 WeakPolarHBondContact O-CE1 3.34Å |
| 44 | R | 95.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 138.1 | 179.9 | -167 | 170.5 | 66 | 176.7 | 3.1 | 111.6 | S62 E129 S163 E164 L166 | R44-S62 WeakPolarHBondContact CG-OG 3.42Å; R44-E129 IonicContact CZ-OE1 3.06Å; R44-E129 IonicContact CZ-OE2 2.73Å; R44-E129 IonicContact NH1-OE1 2.99Å; R44-E129 PolarHBondContact NH1-OE1 3.37Å; R44-E129 IonicContact NH1-OE2 3.68Å; R44-E129 PolarHBondContact NH1-OE2 3.02Å; R44-E129 IonicContact NH2-OE1 2.86Å; R44-E129 PolarHBondContact NH2-OE1 2.96Å; R44-E129 IonicContact NH2-OE2 3.29Å; R44-E129 PolarHBondContact NH2-OE2 3.02Å; R44-S163 PolarHBondContact O-N 3.18Å; R44-E164 HydrophobicContact CB-CG 4.05Å; R44-E164 IonicContact CZ-OE1 3.37Å; R44-E164 PolarHBondContact N-O 3.44Å; R44-E164 IonicContact NE-OE1 2.81Å; R44-E164 PolarHBondContact NE-OE1 3.39Å; R44-E164 IonicContact NH2-OE1 2.79Å; R44-E164 PolarHBondContact NH2-OE1 3.19Å; R44-E164 PolarHBondContact O-N 2.87Å; R44-L166 HydrophobicContact CB-CD1 4.49Å |
| 45 | Y | 94.8 | Very high | 87.8 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | trans | -88.2 | 140.8 | 169.4 | -55.1 | -84.1 | 0 | 0 | 0 | 109.3 | F61 S62 P154 F157 Q159 F161 Y162 | Y45-F61 CarbonylContact O-C 3.57Å; Y45-F61 WeakPolarHBondContact O-CA 3.43Å; Y45-S62 PolarHBondContact N-OG 3.3Å; Y45-S62 PolarHBondContact O-N 3.38Å; Y45-S62 PolarHBondContact O-OG 3.33Å; Y45-P154 HydrophobicContact CD2-CB 4.38Å; Y45-P154 HydrophobicContact CE2-CB 4.37Å; Y45-F157 HydrophobicContact CG-CB 4.48Å; Y45-F157 HydrophobicContact CG-CD1 4.49Å; Y45-F157 HydrophobicContact CG-CG 4.29Å; Y45-Q159 HydrophobicContact CD1-CB 4.08Å; Y45-Q159 HydrophobicContact CE1-CB 4.16Å; Y45-F161 WeakPolarHBondContact CD1-O 3.27Å; Y45-F161 VanDerWaalsContact CE1-C 3.43Å; Y45-F161 WeakPolarHBondContact CE1-O 3.38Å; Y45-Y162 HydrophobicContact CD1-CD1 4.22Å; Y45-Y162 AromaticContact CD2-CD1 3.79Å; Y45-Y162 HydrophobicContact CD2-CD1 3.79Å; Y45-Y162 AromaticContact CD2-CE1 3.98Å; Y45-Y162 HydrophobicContact CD2-CE1 3.98Å; Y45-Y162 AromaticContact CE1-CD1 3.89Å; Y45-Y162 HydrophobicContact CE1-CD1 3.89Å; Y45-Y162 HydrophobicContact CE1-CE1 4.41Å; Y45-Y162 HydrophobicContact CE1-CG 4.31Å; Y45-Y162 AromaticContact CE2-CD1 3.41Å; Y45-Y162 HydrophobicContact CE2-CD1 3.41Å; Y45-Y162 VanDerWaalsContact CE2-CD1 3.41Å; Y45-Y162 AromaticContact CE2-CE1 3.27Å; Y45-Y162 HydrophobicContact CE2-CE1 3.27Å; Y45-Y162 HydrophobicContact CE2-CG 4.49Å; Y45-Y162 HydrophobicContact CG-CD1 4.18Å; Y45-Y162 AromaticContact CZ-CD1 3.45Å; Y45-Y162 VanDerWaalsContact CZ-CD1 3.45Å; Y45-Y162 AromaticContact CZ-CE1 3.53Å | ||
| 46 | F | 93.5 | Very high | 87.8 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 16% | 0.158 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 150.6 | 161.9 | 74.9 | -92.9 | 0 | 0 | 0 | 110.6 | R59 I60 F61 S163 E164 | F46-R59 HydrophobicContact CB-CG 4.45Å; F46-R59 HydrophobicContact CD2-CG 4.32Å; F46-I60 CarbonylContact C-O 3.39Å; F46-I60 WeakPolarHBondContact CA-O 3.28Å; F46-F61 HydrophobicContact CB-CD1 3.51Å; F46-F61 HydrophobicContact CB-CE1 3.75Å; F46-F61 HydrophobicContact CB-CG 4.29Å; F46-F61 HydrophobicContact CG-CD1 4.41Å; F46-F61 HydrophobicContact CG-CE1 4.21Å; F46-S163 VanDerWaalsContact CE1-CB 3.41Å; F46-S163 PolarHBondContact N-OG 3.21Å; F46-S163 PolarHBondContact O-OG 3.43Å; F46-E164 HydrophobicContact CD1-CB 4.49Å; F46-E164 HydrophobicContact CD1-CG 4.07Å; F46-E164 HydrophobicContact CE1-CB 4.16Å; F46-E164 HydrophobicContact CE1-CG 4.22Å |
| 47 | Q | 91.5 | Very high | 88 | Confident | 41 Ų | 41 | 45 Ų | 45 | 19% | 0.192 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 133.2 | 175 | 179.8 | 62.5 | 51.7 | 0 | 0 | 109 | V49 I60 H113 F114 F157 Q159 | Q47-V49 HydrophobicContact CG-CG2 4.39Å; Q47-I60 PolarHBondContact N-O 3.24Å; Q47-I60 PolarHBondContact O-N 3.15Å; Q47-H113 HydrophobicContact CG-CB 4.1Å; Q47-F114 HydrophobicContact CB-CE1 4.48Å; Q47-F114 HydrophobicContact CB-CE2 4.44Å; Q47-F114 HydrophobicContact CB-CZ 3.77Å; Q47-F114 HydrophobicContact CG-CE2 4.07Å; Q47-F114 HydrophobicContact CG-CZ 3.91Å; Q47-F157 HydrophobicContact CB-CE1 4.22Å; Q47-Q159 VanDerWaalsContact OE1-NE2 3.14Å |
| 48 | D | 90.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 133.3 | 174 | -64 | -12.3 | 0 | 0 | 0 | 108.9 | F58 R59 T139 V141 | D48-F58 WeakPolarHBondContact CA-O 3.32Å; D48-R59 VanDerWaalsContact OD1-CB 3.3Å; D48-R59 WeakPolarHBondContact OD1-CB 3.35Å; D48-R59 WeakPolarHBondContact OD1-CG 3.42Å; D48-R59 IonicContact OD1-CZ 2.78Å; D48-R59 IonicContact OD1-NE 3.55Å; D48-R59 PolarHBondContact OD1-NE 3.26Å; D48-R59 IonicContact OD1-NH2 2.93Å; D48-R59 IonicContact OD2-CZ 3.89Å; D48-R59 IonicContact OD2-NE 2.86Å; D48-R59 IonicContact OD2-NH2 2.74Å; D48-R59 PolarHBondContact OD2-NH2 3.1Å; D48-T139 WeakPolarHBondContact CB-OG1 3.45Å; D48-T139 VanDerWaalsContact OD2-CB 3.29Å; D48-T139 WeakPolarHBondContact OD2-CB 3.45Å; D48-T139 PolarHBondContact OD2-OG1 3.43Å; D48-V141 HydrophobicContact CB-CB 4.48Å; D48-V141 HydrophobicContact CB-CG2 4.16Å |
| 49 | V | 89.3 | Confident | 88.7 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.5 | -177.4 | -179.2 | 0 | 0 | 0 | 0 | 109 | Q47 L51 V57 F58 I60 I105 A107 T110 F114 | Q47-V49 HydrophobicContact CG-CG2 4.39Å; V49-L51 HydrophobicContact CG1-CD2 4Å; V49-V57 WeakPolarHBondContact O-CA 3.43Å; V49-F58 PolarHBondContact N-O 3.45Å; V49-F58 PolarHBondContact O-N 2.96Å; V49-I60 HydrophobicContact CB-CD1 4.23Å; V49-I60 HydrophobicContact CG2-CD1 3.65Å; V49-I60 HydrophobicContact CG2-CG1 4.21Å; V49-I105 HydrophobicContact CG1-CB 4.44Å; V49-A107 HydrophobicContact CG1-CB 4.13Å; V49-T110 HydrophobicContact CG1-CG2 3.96Å; V49-T110 HydrophobicContact CG2-CG2 4.44Å; V49-F114 HydrophobicContact CG2-CE2 3.61Å; V49-F114 HydrophobicContact CG2-CZ 3.87Å |
| 50 | N | 85.8 | Confident | 88.8 | Confident | 23 Ų | 23 | 35.7 Ų | 35.7 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 114.2 | 173.1 | 176.9 | 25.1 | 0 | 0 | 0 | 110.6 | S52 V57 A107 V141 G142 | N50-S52 PolarHBondContact O-N 3.45Å; N50-V57 HydrophobicContact CB-CG2 4.39Å; N50-A107 VanDerWaalsContact O-CB 3.3Å; N50-A107 WeakPolarHBondContact O-CB 3.37Å; N50-V141 HydrophobicContact CB-CG1 3.76Å; N50-G142 WeakPolarHBondContact ND2-CA 3.38Å |
| 51 | L | 85.3 | Confident | 89 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 81.3 | 174 | -55.8 | -179.2 | 0 | 0 | 0 | 109.2 | V49 K53 E54 D55 Q56 F58 F103 | V49-L51 HydrophobicContact CG1-CD2 4Å; L51-K53 PolarHBondContact O-N 3.36Å; L51-E54 HydrophobicContact CB-CB 4.39Å; L51-E54 PolarHBondContact O-N 3Å; L51-D55 PolarHBondContact O-N 3Å; L51-D55 VanDerWaalsContact O-N 3.11Å; L51-Q56 WeakPolarHBondContact CB-O 3.45Å; L51-Q56 PolarHBondContact N-O 3.28Å; L51-F58 HydrophobicContact CD1-CD2 3.59Å; L51-F58 HydrophobicContact CD1-CE2 3.72Å; L51-F58 HydrophobicContact CG-CD2 4.22Å; L51-F103 HydrophobicContact CD1-CE1 4.49Å; L51-F103 HydrophobicContact CD1-CE2 4Å; L51-F103 HydrophobicContact CD1-CZ 3.65Å |
| 52 | S | 73.6 | Confident | 89 | Confident | 56 Ų | 56 | 32 Ų | 32 | 39% | 0.392 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -27.3 | -175.8 | -69.2 | 0 | 0 | 0 | 0 | 115 | N50 | N50-S52 PolarHBondContact O-N 3.45Š|
| 53 | K | 75.5 | Confident | 89 | Confident | 191 Ų | 191 | 33.7 Ų | 33.7 | 83% | 0.83 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -34 | 177.8 | -68.9 | -179.4 | -179.1 | 172.1 | 0 | 113.4 | L51 | L51-K53 PolarHBondContact O-N 3.36Š|
| 54 | E | 79.3 | Confident | 88.8 | Confident | 116 Ų | 116 | 35.7 Ų | 35.7 | 54% | 0.542 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -0.6 | -174.4 | -60.5 | -65 | 167.5 | 0 | 0 | 112.5 | L51 Q56 | L51-E54 HydrophobicContact CB-CB 4.39Å; L51-E54 PolarHBondContact O-N 3Å; E54-Q56 VanDerWaalsContact C-N 3.26Å; E54-Q56 HydrophobicContact CB-CB 4.41Å; E54-Q56 HydrophobicContact CB-CG 4.47Å; E54-Q56 WeakPolarHBondContact O-CG 3.47Å; E54-Q56 PolarHBondContact O-N 3.47Å |
| 55 | D | 79.7 | Confident | 88.5 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 41.1 | -173.8 | -167.9 | 40.1 | 0 | 0 | 0 | 113.3 | L51 K143 N664 | L51-D55 PolarHBondContact O-N 3Å; L51-D55 VanDerWaalsContact O-N 3.11Å; D55-K143 PolarHBondContact O-NZ 3.01Å; D55-N664 PolarHBondContact OD2-ND2 3.22Å |
| 56 | Q | 85.9 | Confident | 88.2 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.5 | -173.2 | -74.7 | 167.9 | 23.9 | 0 | 0 | 112.7 | L51 E54 F58 Y97 D147 | L51-Q56 WeakPolarHBondContact CB-O 3.45Å; L51-Q56 PolarHBondContact N-O 3.28Å; E54-Q56 VanDerWaalsContact C-N 3.26Å; E54-Q56 HydrophobicContact CB-CB 4.41Å; E54-Q56 HydrophobicContact CB-CG 4.47Å; E54-Q56 WeakPolarHBondContact O-CG 3.47Å; E54-Q56 PolarHBondContact O-N 3.47Å; Q56-F58 HydrophobicContact CB-CD2 4.29Å; Q56-F58 HydrophobicContact CB-CE2 3.92Å; Q56-Y97 PolarHBondContact OE1-OH 3.21Å; Q56-D147 VanDerWaalsContact CA-OD2 3.31Å; Q56-D147 WeakPolarHBondContact CA-OD2 3.23Å |
| 57 | V | 88.3 | Confident | 88 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.1 | 172.9 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | V49 N50 T139 K143 S145 I146 D147 C148 | V49-V57 WeakPolarHBondContact O-CA 3.43Å; N50-V57 HydrophobicContact CB-CG2 4.39Å; V57-T139 HydrophobicContact CG1-CG2 3.8Å; V57-K143 HydrophobicContact CG2-CG 4.31Å; V57-S145 WeakPolarHBondContact CB-O 3.45Å; V57-I146 HydrophobicContact CG1-CG1 4.49Å; V57-D147 PolarHBondContact N-OD2 2.93Å; V57-D147 PolarHBondContact O-N 3.07Å; V57-C148 PolarHBondContact O-N 2.9Å |
| 58 | F | 92.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.9 | 175.7 | -81.3 | -103 | 0 | 0 | 0 | 111.3 | D48 V49 L51 Q56 I60 L88 Y97 F103 C148 A150 | D48-F58 WeakPolarHBondContact CA-O 3.32Å; V49-F58 PolarHBondContact N-O 3.45Å; V49-F58 PolarHBondContact O-N 2.96Å; L51-F58 HydrophobicContact CD1-CD2 3.59Å; L51-F58 HydrophobicContact CD1-CE2 3.72Å; L51-F58 HydrophobicContact CG-CD2 4.22Å; Q56-F58 HydrophobicContact CB-CD2 4.29Å; Q56-F58 HydrophobicContact CB-CE2 3.92Å; F58-I60 HydrophobicContact CB-CG1 4.41Å; F58-L88 HydrophobicContact CE1-CD2 4.15Å; F58-Y97 HydrophobicContact CE2-CE2 4.48Å; F58-Y97 AromaticContact CZ-CE2 3.95Å; F58-Y97 HydrophobicContact CZ-CE2 3.95Å; F58-F103 HydrophobicContact CD1-CZ 4.06Å; F58-F103 HydrophobicContact CD2-CZ 4.15Å; F58-F103 HydrophobicContact CE1-CE2 4.36Å; F58-F103 AromaticContact CE1-CZ 3.91Å; F58-F103 HydrophobicContact CE1-CZ 3.91Å; F58-F103 HydrophobicContact CE2-CE2 4.31Å; F58-F103 HydrophobicContact CE2-CZ 4.02Å; F58-F103 HydrophobicContact CG-CZ 4.17Å; F58-F103 HydrophobicContact CZ-CE2 4.04Å; F58-F103 AromaticContact CZ-CZ 3.89Å; F58-F103 HydrophobicContact CZ-CZ 3.89Å; F58-C148 VanDerWaalsContact CA-O 3.27Å; F58-C148 WeakPolarHBondContact CA-O 3.44Å; F58-C148 HydrophobicContact CD1-CB 3.62Å; F58-C148 HydrophobicContact CE1-CB 3.27Å; F58-C148 HydrophobicContact CE2-CB 4.26Å; F58-C148 HydrophobicContact CG-CB 4.26Å; F58-C148 HydrophobicContact CZ-CB 3.64Å; F58-A150 HydrophobicContact CD1-CB 4.3Å |
| 59 | R | 93.7 | Very high | 88 | Confident | 34 Ų | 34 | 46 Ų | 46 | 13% | 0.128 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 110.7 | 163 | 179.6 | 164.5 | -73.8 | 169.3 | -4.1 | 109.8 | F46 D48 F61 I146 C148 F149 A150 | F46-R59 HydrophobicContact CB-CG 4.45Å; F46-R59 HydrophobicContact CD2-CG 4.32Å; D48-R59 VanDerWaalsContact OD1-CB 3.3Å; D48-R59 WeakPolarHBondContact OD1-CB 3.35Å; D48-R59 WeakPolarHBondContact OD1-CG 3.42Å; D48-R59 IonicContact OD1-CZ 2.78Å; D48-R59 IonicContact OD1-NE 3.55Å; D48-R59 PolarHBondContact OD1-NE 3.26Å; D48-R59 IonicContact OD1-NH2 2.93Å; D48-R59 IonicContact OD2-CZ 3.89Å; D48-R59 IonicContact OD2-NE 2.86Å; D48-R59 IonicContact OD2-NH2 2.74Å; D48-R59 PolarHBondContact OD2-NH2 3.1Å; R59-F61 HydrophobicContact CB-CE2 4.23Å; R59-F61 HydrophobicContact CG-CD2 4.14Å; R59-F61 HydrophobicContact CG-CE1 4.12Å; R59-F61 HydrophobicContact CG-CE2 3.54Å; R59-F61 HydrophobicContact CG-CZ 3.55Å; R59-I146 HydrophobicContact CB-CD1 4.3Å; R59-I146 HydrophobicContact CB-CG2 4.06Å; R59-C148 PolarHBondContact N-O 2.92Å; R59-F149 CarbonylContact O-C 3.57Å; R59-F149 WeakPolarHBondContact O-CA 3.31Å; R59-F149 WeakPolarHBondContact O-CB 3.41Å; R59-A150 PolarHBondContact O-N 3.37Å |
| 60 | I | 94.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.9 | -178.1 | -53.7 | -176.6 | 0 | 0 | 0 | 108.9 | F46 Q47 V49 F58 I105 F114 I152 F157 | F46-I60 CarbonylContact C-O 3.39Å; F46-I60 WeakPolarHBondContact CA-O 3.28Å; Q47-I60 PolarHBondContact N-O 3.24Å; Q47-I60 PolarHBondContact O-N 3.15Å; V49-I60 HydrophobicContact CB-CD1 4.23Å; V49-I60 HydrophobicContact CG2-CD1 3.65Å; V49-I60 HydrophobicContact CG2-CG1 4.21Å; F58-I60 HydrophobicContact CB-CG1 4.41Å; I60-I105 HydrophobicContact CD1-CB 4.26Å; I60-I105 HydrophobicContact CD1-CD1 3.84Å; I60-I105 HydrophobicContact CD1-CG2 3.8Å; I60-F114 HydrophobicContact CB-CE1 4.41Å; I60-F114 HydrophobicContact CB-CZ 4.24Å; I60-F114 HydrophobicContact CD1-CE1 4.33Å; I60-F114 HydrophobicContact CD1-CE2 4.43Å; I60-F114 HydrophobicContact CD1-CZ 3.83Å; I60-F114 HydrophobicContact CG2-CE1 4.12Å; I60-F114 HydrophobicContact CG2-CZ 4.42Å; I60-I152 HydrophobicContact CG2-CD1 3.71Å; I60-I152 HydrophobicContact CG2-CG1 3.77Å; I60-I152 HydrophobicContact CG2-CG2 4.34Å; I60-F157 HydrophobicContact CG2-CZ 4.12Å |
| 61 | F | 96.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 152.4 | 176.6 | -66.5 | -80.7 | 0 | 0 | 0 | 111.8 | Y45 F46 R59 F130 F149 A150 F151 I152 | Y45-F61 CarbonylContact O-C 3.57Å; Y45-F61 WeakPolarHBondContact O-CA 3.43Å; F46-F61 HydrophobicContact CB-CD1 3.51Å; F46-F61 HydrophobicContact CB-CE1 3.75Å; F46-F61 HydrophobicContact CB-CG 4.29Å; F46-F61 HydrophobicContact CG-CD1 4.41Å; F46-F61 HydrophobicContact CG-CE1 4.21Å; R59-F61 HydrophobicContact CB-CE2 4.23Å; R59-F61 HydrophobicContact CG-CD2 4.14Å; R59-F61 HydrophobicContact CG-CE1 4.12Å; R59-F61 HydrophobicContact CG-CE2 3.54Å; R59-F61 HydrophobicContact CG-CZ 3.55Å; F61-F130 AromaticContact CE2-CE2 3.71Å; F61-F130 HydrophobicContact CE2-CE2 3.71Å; F61-F130 AromaticContact CE2-CZ 3.82Å; F61-F130 HydrophobicContact CE2-CZ 3.82Å; F61-F130 HydrophobicContact CZ-CE2 4.07Å; F61-F130 AromaticContact CZ-CZ 3.88Å; F61-F130 HydrophobicContact CZ-CZ 3.88Å; F61-F149 HydrophobicContact CD2-CB 4.13Å; F61-F149 HydrophobicContact CE2-CB 3.85Å; F61-A150 PolarHBondContact N-O 3.15Å; F61-F151 HydrophobicContact CB-CD1 3.45Å; F61-F151 VanDerWaalsContact CB-CD1 3.45Å; F61-F151 HydrophobicContact CB-CE1 3.46Å; F61-F151 VanDerWaalsContact CB-CE1 3.46Å; F61-F151 HydrophobicContact CB-CG 4.22Å; F61-F151 HydrophobicContact CB-CZ 4.24Å; F61-F151 HydrophobicContact CD2-CE1 4.17Å; F61-F151 HydrophobicContact CD2-CZ 4.12Å; F61-F151 HydrophobicContact CG-CD1 4.4Å; F61-F151 AromaticContact CG-CE1 3.98Å; F61-F151 HydrophobicContact CG-CE1 3.98Å; F61-F151 HydrophobicContact CG-CZ 4.37Å; F61-F151 VanDerWaalsContact O-CA 3.31Å; F61-F151 WeakPolarHBondContact O-CA 3.5Å; F61-I152 PolarHBondContact O-N 3.38Å |
| 62 | S | 95.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132 | 164.9 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | R44 Y45 I152 | R44-S62 WeakPolarHBondContact CG-OG 3.42Å; Y45-S62 PolarHBondContact N-OG 3.3Å; Y45-S62 PolarHBondContact O-N 3.38Å; Y45-S62 PolarHBondContact O-OG 3.33Å; S62-I152 CarbonylContact C-O 3.5Å; S62-I152 VanDerWaalsContact CA-O 3.3Å; S62-I152 WeakPolarHBondContact CA-O 3.21Å |
| 63 | Y | 93.9 | Very high | 89.8 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | trans | -110.5 | 112.4 | 172.6 | 168.4 | -99.1 | 0 | 0 | 0 | 110.7 | L79 P80 I152 L153 P154 | Y63-L79 HydrophobicContact CE1-CB 4.05Å; Y63-L79 HydrophobicContact CE1-CD1 4.42Å; Y63-L79 HydrophobicContact CE2-CD1 3.87Å; Y63-L79 VanDerWaalsContact OH-CD1 3.23Å; Y63-L79 WeakPolarHBondContact OH-CD1 3.22Å; Y63-P80 HydrophobicContact CD1-CG 3.85Å; Y63-P80 HydrophobicContact CE1-CG 4.5Å; Y63-I152 PolarHBondContact N-O 3.26Å; Y63-L153 HydrophobicContact CD1-CD2 4.23Å; Y63-L153 WeakPolarHBondContact O-CD2 3.3Å; Y63-P154 WeakPolarHBondContact O-CD 3.28Å | ||
| 64 | D | 91.6 | Very high | 90.8 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | trans | -108.3 | 124.1 | 171.1 | -174.4 | -8.1 | 0 | 0 | 0 | 110 | K66 Q67 P154 | D64-K66 PolarHBondContact O-N 3.2Å; D64-K66 VanDerWaalsContact O-N 3.11Å; D64-K66 WeakPolarHBondContact OD1-CB 3.31Å; D64-K66 WeakPolarHBondContact OD1-CG 3.43Å; D64-K66 PolarHBondContact OD1-N 3.11Å; D64-Q67 HydrophobicContact CB-CB 4.41Å; D64-Q67 HydrophobicContact CB-CG 3.89Å; D64-Q67 WeakPolarHBondContact O-CB 3.38Å; D64-Q67 PolarHBondContact O-N 3.48Å; D64-P154 HydrophobicContact CB-CG 3.95Å | ||
| 65 | S | 87.8 | Confident | 91.4 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 66% | 0.657 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.6 | 174.9 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 66 | K | 87.6 | Confident | 92 | Very high | 172 Ų | 172 | 43.8 Ų | 43.8 | 75% | 0.748 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -21.7 | 176.8 | -61.3 | 174.2 | -176.2 | 173.7 | 0 | 112.5 | D64 | D64-K66 PolarHBondContact O-N 3.2Å; D64-K66 VanDerWaalsContact O-N 3.11Å; D64-K66 WeakPolarHBondContact OD1-CB 3.31Å; D64-K66 WeakPolarHBondContact OD1-CG 3.43Å; D64-K66 PolarHBondContact OD1-N 3.11Å |
| 67 | Q | 89.5 | Confident | 92.5 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | trans | -70.3 | 143.1 | 177.5 | -74.6 | 176.7 | -8.9 | 0 | 0 | 110.5 | E42 G43 D64 | E42-Q67 HydrophobicContact CB-CG 4.24Å; E42-Q67 HydrophobicContact CG-CG 4.42Å; E42-Q67 WeakPolarHBondContact OE2-CA 3.24Å; E42-Q67 WeakPolarHBondContact OE2-CB 3.38Å; G43-Q67 PolarHBondContact O-NE2 2.89Å; D64-Q67 HydrophobicContact CB-CB 4.41Å; D64-Q67 HydrophobicContact CB-CG 3.89Å; D64-Q67 WeakPolarHBondContact O-CB 3.38Å; D64-Q67 PolarHBondContact O-N 3.48Å | ||
| 68 | T | 89.2 | Confident | 92.9 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 18% | 0.184 | 25% | 0.254 | C | S | . | . | trans | -116.2 | -15.9 | -174.8 | 64.2 | 0 | 0 | 0 | 0 | 112.9 | N13 K40 E42 | N13-T68 VanDerWaalsContact CB-O 3.23Å; N13-T68 WeakPolarHBondContact CB-O 3.3Å; N13-T68 PolarHBondContact ND2-O 2.74Å; N13-T68 VanDerWaalsContact ND2-O 3.1Å; K40-T68 VanDerWaalsContact CE-OG1 3.25Å; K40-T68 WeakPolarHBondContact CE-OG1 3.45Å; K40-T68 PolarHBondContact NZ-OG1 3.24Å; E42-T68 VanDerWaalsContact CD-N 3.31Å; E42-T68 PolarHBondContact OE1-N 3.13Å; E42-T68 PolarHBondContact OE1-OG1 2.83Å; E42-T68 PolarHBondContact OE2-N 3.09Å | ||
| 69 | L | 93.2 | Very high | 93 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -87.5 | 152.6 | 177.7 | -58.8 | -179.2 | 0 | 0 | 0 | 111 | N13 A15 E42 R71 L166 | N13-L69 HydrophobicContact CB-CD2 4.37Å; N13-L69 CarbonylContact O-C 3.6Å; N13-L69 VanDerWaalsContact O-CA 3.31Å; N13-L69 WeakPolarHBondContact O-CA 3.46Å; A15-L69 HydrophobicContact CB-CD1 4.5Å; E42-L69 HydrophobicContact CB-CD1 4.4Å; E42-L69 HydrophobicContact CG-CD1 4.27Å; E42-L69 HydrophobicContact CG-CG 4.43Å; E42-L69 WeakPolarHBondContact OE2-CB 3.3Å; E42-L69 PolarHBondContact OE2-N 2.97Å; L69-R71 PolarHBondContact O-N 3.38Å; L69-L166 HydrophobicContact CB-CB 4.4Å; L69-L166 HydrophobicContact CB-CD1 4.39Å; L69-L166 HydrophobicContact CD1-CB 3.87Å; L69-L166 WeakPolarHBondContact CD1-O 3.47Å |
| 70 | N | 93.9 | Very high | 93 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 53.2 | 46.6 | 176.9 | -61.5 | -6 | 0 | 0 | 0 | 113.6 | N13 L14 A15 V72 E129 L166 | N13-N70 PolarHBondContact O-N 3.24Å; L14-N70 WeakPolarHBondContact CA-OD1 3.27Å; L14-N70 WeakPolarHBondContact CD1-OD1 3.29Å; A15-N70 PolarHBondContact N-OD1 2.88Å; N70-V72 PolarHBondContact O-N 3.32Å; N70-E129 HydrophobicContact CB-CG 4.22Å; N70-E129 WeakPolarHBondContact ND2-CG 3.23Å; N70-E129 PolarHBondContact ND2-OE1 3.24Å; N70-E129 PolarHBondContact ND2-OE2 3.34Å; N70-E129 VanDerWaalsContact ND2-OE2 3.14Å; N70-L166 HydrophobicContact CB-CD1 4.35Å; N70-L166 WeakPolarHBondContact ND2-CD1 3.44Å; N70-L166 WeakPolarHBondContact ND2-CD2 3.46Å |
| 71 | R | 92.8 | Very high | 93 | Very high | 124 Ų | 124 | 58 Ų | 58 | 47% | 0.468 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 125.1 | 179.7 | -70 | -179.1 | 172 | 177.5 | -1.3 | 110.5 | Q12 L69 P128 | Q12-R71 WeakPolarHBondContact CB-O 3.3Å; Q12-R71 PolarHBondContact O-N 2.91Å; Q12-R71 PolarHBondContact OE1-O 3.02Å; Q12-R71 VanDerWaalsContact OE1-O 3.09Å; L69-R71 PolarHBondContact O-N 3.38Å; R71-P128 VanDerWaalsContact O-CD 3.28Å; R71-P128 WeakPolarHBondContact O-CD 3.28Å |
| 72 | V | 93.6 | Very high | 92.8 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 147.1 | 179.1 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | N70 L79 V125 K126 F151 | N70-V72 PolarHBondContact O-N 3.32Å; V72-L79 HydrophobicContact CG2-CD1 4.37Å; V72-L79 HydrophobicContact CG2-CD2 3.58Å; V72-V125 HydrophobicContact CB-CB 4.11Å; V72-V125 HydrophobicContact CB-CG1 4.22Å; V72-V125 HydrophobicContact CG2-CB 4.34Å; V72-V125 HydrophobicContact CG2-CG1 3.92Å; V72-K126 CarbonylContact C-O 3.52Å; V72-K126 WeakPolarHBondContact CA-O 3.22Å; V72-F151 HydrophobicContact CG1-CD2 4.38Å; V72-F151 HydrophobicContact CG1-CE1 4.28Å; V72-F151 HydrophobicContact CG1-CE2 3.6Å; V72-F151 HydrophobicContact CG1-CZ 3.55Å |
| 73 | V | 92.9 | Very high | 92.7 | Very high | 39 Ų | 39 | 63 Ų | 63 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.6 | 175 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | Y8 Q12 T75 V125 K126 | Y8-V73 HydrophobicContact CE2-CG2 4.15Å; Q12-V73 HydrophobicContact CG-CG2 4.19Å; V73-T75 PolarHBondContact O-N 2.66Å; V73-V125 CarbonylContact O-C 3.54Å; V73-V125 VanDerWaalsContact O-CA 3.22Å; V73-V125 WeakPolarHBondContact O-CA 3.16Å; V73-K126 PolarHBondContact N-O 3.25Å; V73-K126 PolarHBondContact O-N 3.34Å |
| 74 | V | 94.6 | Very high | 92.6 | Very high | 58 Ų | 58 | 64.5 Ų | 64.5 | 35% | 0.352 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 116.7 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | G77 L79 V125 | V74-G77 WeakPolarHBondContact CG1-O 3.31Å; V74-L79 HydrophobicContact CG2-CD1 4.24Å; V74-L79 HydrophobicContact CG2-CD2 3.89Å; V74-L79 HydrophobicContact CG2-CG 3.71Å; V74-V125 HydrophobicContact CB-CG1 4.44Å; V74-V125 HydrophobicContact CG2-CG1 4.01Å |
| 75 | T | 92.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -36.3 | 175.2 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | V73 D90 F124 K126 | V73-T75 PolarHBondContact O-N 2.66Å; T75-D90 WeakPolarHBondContact CB-OD1 3.5Å; T75-D90 HydrophobicContact CG2-CB 4.24Å; T75-D90 PolarHBondContact OG1-OD1 3.17Å; T75-F124 PolarHBondContact N-O 3.25Å; T75-F124 PolarHBondContact OG1-O 3.3Å; T75-F124 VanDerWaalsContact OG1-O 3.08Å; T75-K126 HydrophobicContact CG2-CB 4.44Å; T75-K126 HydrophobicContact CG2-CD 3.86Å; T75-K126 HydrophobicContact CG2-CG 3.7Å |
| 76 | K | 94 | Very high | 93.2 | Very high | 119 Ų | 119 | 58.6 Ų | 58.6 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 139 | 179.7 | -167.6 | 173.2 | -175.9 | 175.4 | 0 | 110.9 | L93 G123 F124 | K76-L93 HydrophobicContact CD-CD2 4.5Å; K76-G123 CarbonylContact O-C 3.55Å; K76-G123 WeakPolarHBondContact O-CA 3.47Å; K76-F124 HydrophobicContact CB-CB 4.4Å; K76-F124 HydrophobicContact CB-CD2 4.24Å; K76-F124 PolarHBondContact N-O 3.03Å; K76-F124 PolarHBondContact O-N 3.08Å |
| 77 | G | 95.8 | Very high | 93.7 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.9 | -134.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V74 | V74-G77 WeakPolarHBondContact CG1-O 3.31Å |
| 78 | R | 95.6 | Very high | 94 | Very high | 92 Ų | 92 | 48.6 Ų | 48.6 | 35% | 0.347 | 25% | 0.248 | S | C | . | . | trans | -151.8 | 169.8 | -177.1 | 63.3 | 171.6 | -179.6 | 79.3 | -2.5 | 112.8 | E85 V122 | R78-E85 IonicContact CZ-OE1 2.63Å; R78-E85 IonicContact CZ-OE2 3.31Å; R78-E85 IonicContact NH1-OE1 2.68Å; R78-E85 IonicContact NH1-OE2 3.5Å; R78-E85 PolarHBondContact NH1-OE2 2.97Å; R78-E85 VanDerWaalsContact NH2-CD 3.34Å; R78-E85 IonicContact NH2-OE1 3.45Å; R78-E85 PolarHBondContact NH2-OE1 3.24Å; R78-E85 IonicContact NH2-OE2 3.59Å; R78-E85 PolarHBondContact NH2-OE2 3.26Å; R78-V122 HydrophobicContact CG-CB 4.34Å; R78-V122 PolarHBondContact N-O 3.47Å; R78-V122 CarbonylContact O-C 3.57Å | ||
| 79 | L | 95 | Very high | 94.3 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | trans | -74.7 | 155 | 173 | -63.1 | 173 | 0 | 0 | 0 | 112.2 | Y63 V72 V74 V87 V125 | Y63-L79 HydrophobicContact CE1-CB 4.05Å; Y63-L79 HydrophobicContact CE1-CD1 4.42Å; Y63-L79 HydrophobicContact CE2-CD1 3.87Å; Y63-L79 VanDerWaalsContact OH-CD1 3.23Å; Y63-L79 WeakPolarHBondContact OH-CD1 3.22Å; V72-L79 HydrophobicContact CG2-CD1 4.37Å; V72-L79 HydrophobicContact CG2-CD2 3.58Å; V74-L79 HydrophobicContact CG2-CD1 4.24Å; V74-L79 HydrophobicContact CG2-CD2 3.89Å; V74-L79 HydrophobicContact CG2-CG 3.71Å; L79-V87 HydrophobicContact CD2-CG1 4.28Å; L79-V125 HydrophobicContact CD2-CG1 3.78Å | ||
| 80 | P | 94.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | trans | -68.4 | 139.9 | -179.4 | 28.5 | -34.3 | 0 | 0 | 0 | 111.4 | Y63 E85 V87 V122 | Y63-P80 HydrophobicContact CD1-CG 3.85Å; Y63-P80 HydrophobicContact CE1-CG 4.5Å; P80-E85 HydrophobicContact CB-CB 3.75Å; P80-V87 HydrophobicContact CG-CG1 4.46Å; P80-V122 HydrophobicContact CB-CG2 4.43Å | ||
| 81 | K | 93.1 | Very high | 94.1 | Very high | 164 Ų | 164 | 50.2 Ų | 50.2 | 71% | 0.713 | 25% | 0.253 | S | S | * | . | trans | -113.1 | -21.9 | -179.8 | -70.8 | -175 | 177.8 | -172.9 | 0 | 113.8 | E85 | K81-E85 PolarHBondContact N-OE2 3.1Š| ||
| 82 | N | 93.5 | Very high | 94.1 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -137.6 | 168.5 | 178.7 | 59.3 | 39.9 | 0 | 0 | 0 | 109.9 | E84 E85 | N82-E84 PolarHBondContact O-N 2.84Å; N82-E84 VanDerWaalsContact O-N 3.1Å; N82-E84 PolarHBondContact OD1-N 3.4Å; N82-E85 PolarHBondContact O-N 3.09Å; N82-E85 WeakPolarHBondContact OD1-CG 3.45Å |
| 83 | S | 91.7 | Very high | 94 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -1.7 | -177 | 23.8 | 0 | 0 | 0 | 0 | 114.8 | R116 F119 E155 S156 | S83-R116 VanDerWaalsContact O-CD 3.31Å; S83-R116 WeakPolarHBondContact O-CD 3.47Å; S83-R116 PolarHBondContact O-NH1 3.48Å; S83-F119 VanDerWaalsContact O-CE1 3.29Å; S83-F119 WeakPolarHBondContact O-CE1 3.22Å; S83-E155 WeakPolarHBondContact CB-OE1 3.3Å; S83-E155 PolarHBondContact N-OE1 3.3Å; S83-E155 PolarHBondContact OG-OE1 3.5Å; S83-S156 WeakPolarHBondContact CB-OG 3.44Å |
| 84 | E | 92.5 | Very high | 93.7 | Very high | 83 Ų | 83 | 52.2 Ų | 52.2 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -5.4 | 175.3 | -39.3 | -128.2 | 123.6 | 0 | 0 | 112.7 | N82 R116 F119 K120 | N82-E84 PolarHBondContact O-N 2.84Å; N82-E84 VanDerWaalsContact O-N 3.1Å; N82-E84 PolarHBondContact OD1-N 3.4Å; E84-R116 VanDerWaalsContact CA-NH1 3.34Å; E84-R116 VanDerWaalsContact CD-NH1 3.26Å; E84-R116 IonicContact OE1-CZ 3.54Å; E84-R116 VanDerWaalsContact OE1-CZ 3.29Å; E84-R116 IonicContact OE1-NH1 2.71Å; E84-R116 PolarHBondContact OE1-NH1 3.06Å; E84-R116 IonicContact OE1-NH2 2.71Å; E84-R116 PolarHBondContact OE1-NH2 3.31Å; E84-F119 CarbonylContact O-C 3.45Å; E84-F119 WeakPolarHBondContact O-CA 3.14Å; E84-K120 PolarHBondContact O-N 2.86Å |
| 85 | E | 95.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 53.8 Ų | 53.8 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.4 | -169.5 | -71.7 | 174.1 | 174.1 | 0 | 0 | 111.6 | R78 P80 K81 N82 K120 V122 | R78-E85 IonicContact CZ-OE1 2.63Å; R78-E85 IonicContact CZ-OE2 3.31Å; R78-E85 IonicContact NH1-OE1 2.68Å; R78-E85 IonicContact NH1-OE2 3.5Å; R78-E85 PolarHBondContact NH1-OE2 2.97Å; R78-E85 VanDerWaalsContact NH2-CD 3.34Å; R78-E85 IonicContact NH2-OE1 3.45Å; R78-E85 PolarHBondContact NH2-OE1 3.24Å; R78-E85 IonicContact NH2-OE2 3.59Å; R78-E85 PolarHBondContact NH2-OE2 3.26Å; P80-E85 HydrophobicContact CB-CB 3.75Å; K81-E85 PolarHBondContact N-OE2 3.1Å; N82-E85 PolarHBondContact O-N 3.09Å; N82-E85 WeakPolarHBondContact OD1-CG 3.45Å; E85-K120 WeakPolarHBondContact CA-O 3.45Å; E85-V122 HydrophobicContact CB-CG1 3.96Å; E85-V122 HydrophobicContact CB-CG2 3.91Å; E85-V122 HydrophobicContact CG-CG1 3.54Å; E85-V122 HydrophobicContact CG-CG2 4.38Å |
| 86 | I | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.6 | 176.5 | -170.4 | 166.1 | 0 | 0 | 0 | 109.9 | L88 F103 F119 K120 I121 V122 A150 I152 | I86-L88 HydrophobicContact CD1-CD2 3.87Å; I86-L88 HydrophobicContact CG1-CD2 3.92Å; I86-F103 HydrophobicContact CD1-CD1 3.73Å; I86-F103 HydrophobicContact CD1-CE1 3.9Å; I86-F103 HydrophobicContact CG2-CB 4.21Å; I86-F103 HydrophobicContact CG2-CD1 4.49Å; I86-F119 HydrophobicContact CB-CB 3.75Å; I86-F119 HydrophobicContact CB-CD1 4.45Å; I86-F119 HydrophobicContact CB-CG 4.2Å; I86-F119 HydrophobicContact CG2-CB 3.51Å; I86-F119 HydrophobicContact CG2-CG 4.45Å; I86-K120 PolarHBondContact N-O 2.84Å; I86-I121 HydrophobicContact CG2-CG1 4.02Å; I86-I121 CarbonylContact O-C 3.59Å; I86-I121 WeakPolarHBondContact O-CA 3.37Å; I86-V122 WeakPolarHBondContact O-CG2 2.8Å; I86-V122 PolarHBondContact O-N 2.92Å; I86-A150 HydrophobicContact CD1-CB 3.81Å; I86-A150 HydrophobicContact CG1-CB 4.06Å; I86-I152 HydrophobicContact CB-CG2 3.88Å; I86-I152 HydrophobicContact CD1-CG2 3.69Å; I86-I152 HydrophobicContact CG1-CG2 3.56Å |
| 87 | V | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.9 | 169 | 69.1 | 0 | 0 | 0 | 0 | 108.1 | L79 P80 G123 V125 A150 F151 | L79-V87 HydrophobicContact CD2-CG1 4.28Å; P80-V87 HydrophobicContact CG-CG1 4.46Å; V87-G123 WeakPolarHBondContact CA-O 3.27Å; V87-G123 WeakPolarHBondContact CG2-O 3.32Å; V87-V125 HydrophobicContact CG1-CG2 4.13Å; V87-V125 HydrophobicContact CG2-CB 4.29Å; V87-V125 HydrophobicContact CG2-CG1 3.58Å; V87-V125 HydrophobicContact CG2-CG2 3.92Å; V87-A150 CarbonylContact O-C 3.54Å; V87-A150 VanDerWaalsContact O-CA 3.28Å; V87-A150 WeakPolarHBondContact O-CA 3.27Å; V87-F151 HydrophobicContact CG1-CB 3.6Å; V87-F151 HydrophobicContact CG1-CD2 4.22Å; V87-F151 HydrophobicContact CG1-CG 4.36Å; V87-F151 PolarHBondContact N-O 3.39Å; V87-F151 VanDerWaalsContact N-O 3.11Å; V87-F151 PolarHBondContact O-N 2.85Å |
| 88 | L | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 162.3 | -176 | -57 | -175.9 | 0 | 0 | 0 | 111.2 | F58 I86 A92 Y97 F103 I121 G123 F124 V125 A150 | F58-L88 HydrophobicContact CE1-CD2 4.15Å; I86-L88 HydrophobicContact CD1-CD2 3.87Å; I86-L88 HydrophobicContact CG1-CD2 3.92Å; L88-A92 HydrophobicContact CB-CB 3.84Å; L88-A92 HydrophobicContact CD1-CB 3.99Å; L88-Y97 HydrophobicContact CD1-CD1 4.2Å; L88-Y97 HydrophobicContact CD1-CG 4.05Å; L88-F103 HydrophobicContact CD1-CD2 4.17Å; L88-F103 HydrophobicContact CD1-CE2 4.16Å; L88-F103 HydrophobicContact CD2-CD1 4.42Å; L88-F103 HydrophobicContact CD2-CE1 4.16Å; L88-F103 HydrophobicContact CD2-CE2 4.37Å; L88-F103 HydrophobicContact CD2-CZ 4.14Å; L88-I121 HydrophobicContact CD1-CD1 3.53Å; L88-I121 HydrophobicContact CD1-CG1 3.96Å; L88-I121 HydrophobicContact CD1-CG2 4.34Å; L88-I121 HydrophobicContact CG-CD1 4.42Å; L88-I121 HydrophobicContact CG-CG1 4.34Å; L88-I121 HydrophobicContact CG-CG2 4.34Å; L88-G123 PolarHBondContact N-O 2.86Å; L88-G123 VanDerWaalsContact N-O 3.07Å; L88-F124 HydrophobicContact CB-CD1 4.09Å; L88-F124 HydrophobicContact CB-CE1 4.17Å; L88-F124 HydrophobicContact CD1-CE1 4.39Å; L88-F124 CarbonylContact O-C 3.56Å; L88-F124 WeakPolarHBondContact O-CA 3.34Å; L88-V125 WeakPolarHBondContact O-CG2 3.34Å; L88-V125 PolarHBondContact O-N 3.47Å; L88-A150 HydrophobicContact CD2-CB 3.65Å |
| 89 | D | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 138 | 164.2 | -175.8 | -13.5 | 0 | 0 | 0 | 110.1 | R91 A92 R136 C148 F149 | D89-R91 PolarHBondContact O-N 2.91Å; D89-R91 VanDerWaalsContact O-N 3.1Å; D89-R91 PolarHBondContact OD1-N 3.31Å; D89-A92 WeakPolarHBondContact O-CB 3.4Å; D89-A92 PolarHBondContact O-N 3.46Å; D89-R136 IonicContact OD1-NH2 2.81Å; D89-R136 IonicContact OD2-CZ 2.63Å; D89-R136 IonicContact OD2-NE 3.95Å; D89-R136 PolarHBondContact OD2-NE 2.86Å; D89-R136 IonicContact OD2-NH2 3.14Å; D89-R136 PolarHBondContact OD2-NH2 2.91Å; D89-C148 HydrophobicContact CB-CB 4.08Å; D89-F149 HydrophobicContact CB-CD1 3.8Å; D89-F149 HydrophobicContact CB-CD2 4.19Å; D89-F149 HydrophobicContact CB-CE1 3.72Å; D89-F149 HydrophobicContact CB-CE2 4.1Å; D89-F149 HydrophobicContact CB-CG 4.04Å; D89-F149 HydrophobicContact CB-CZ 3.86Å; D89-F149 WeakPolarHBondContact CB-O 3.25Å; D89-F149 PolarHBondContact N-O 3.46Å; D89-F149 VanDerWaalsContact OD2-CD1 3.3Å; D89-F149 WeakPolarHBondContact OD2-CD1 3.27Å; D89-F149 WeakPolarHBondContact OD2-CE1 3.38Å |
| 90 | D | 93.1 | Very high | 92.9 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -48.1 | -34.9 | 171.9 | -167 | 58.3 | 0 | 0 | 0 | 112.7 | T75 A92 L93 V125 K126 | T75-D90 WeakPolarHBondContact CB-OD1 3.5Å; T75-D90 HydrophobicContact CG2-CB 4.24Å; T75-D90 PolarHBondContact OG1-OD1 3.17Å; D90-A92 PolarHBondContact O-N 3.27Å; D90-A92 VanDerWaalsContact O-N 3.17Å; D90-L93 VanDerWaalsContact O-CB 3.29Å; D90-L93 WeakPolarHBondContact O-CB 3.4Å; D90-L93 WeakPolarHBondContact O-CG 3.33Å; D90-L93 PolarHBondContact O-N 3.11Å; D90-V125 PolarHBondContact N-O 2.94Å; D90-K126 HydrophobicContact CB-CG 3.91Å; D90-K126 WeakPolarHBondContact OD2-CE 3.49Å; D90-K126 IonicContact OD2-NZ 3.07Å |
| 91 | R | 90.2 | Very high | 92.8 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -60.4 | -24.8 | 175.6 | -165.7 | -178.3 | -176.6 | 177 | 12.9 | 113.9 | D89 L93 E94 K95 I134 D147 | D89-R91 PolarHBondContact O-N 2.91Å; D89-R91 VanDerWaalsContact O-N 3.1Å; D89-R91 PolarHBondContact OD1-N 3.31Å; R91-L93 PolarHBondContact O-N 2.81Å; R91-E94 WeakPolarHBondContact O-CB 3.38Å; R91-E94 PolarHBondContact O-N 2.81Å; R91-K95 PolarHBondContact O-N 2.89Å; R91-I134 PolarHBondContact NH1-O 3.14Å; R91-I134 PolarHBondContact NH2-O 2.63Å; R91-D147 PolarHBondContact NH1-O 3.26Å |
| 92 | A | 91.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -61.7 | -23.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L88 D89 D90 E94 K95 G96 Y97 F124 | L88-A92 HydrophobicContact CB-CB 3.84Å; L88-A92 HydrophobicContact CD1-CB 3.99Å; D89-A92 WeakPolarHBondContact O-CB 3.4Å; D89-A92 PolarHBondContact O-N 3.46Å; D90-A92 PolarHBondContact O-N 3.27Å; D90-A92 VanDerWaalsContact O-N 3.17Å; A92-E94 VanDerWaalsContact C-N 3.32Å; A92-E94 PolarHBondContact O-N 3.4Å; A92-K95 PolarHBondContact O-N 3.08Å; A92-G96 PolarHBondContact O-N 3.07Å; A92-Y97 HydrophobicContact CB-CD2 3.66Å; A92-Y97 HydrophobicContact CB-CE2 4.43Å; A92-Y97 HydrophobicContact CB-CG 4.21Å; A92-Y97 WeakPolarHBondContact O-CB 3.45Å; A92-Y97 VanDerWaalsContact O-CD2 3.27Å; A92-Y97 WeakPolarHBondContact O-CD2 3.36Å; A92-Y97 PolarHBondContact O-N 3Å; A92-Y97 VanDerWaalsContact O-N 3.09Å; A92-F124 HydrophobicContact CB-CD1 4.26Å; A92-F124 HydrophobicContact CB-CE1 3.96Å |
| 93 | L | 91.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 54.9 Ų | 54.9 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -61.7 | -40.8 | 172.4 | -70.1 | 169.4 | 0 | 0 | 0 | 112.1 | K76 D90 R91 K95 G96 F124 | K76-L93 HydrophobicContact CD-CD2 4.5Å; D90-L93 VanDerWaalsContact O-CB 3.29Å; D90-L93 WeakPolarHBondContact O-CB 3.4Å; D90-L93 WeakPolarHBondContact O-CG 3.33Å; D90-L93 PolarHBondContact O-N 3.11Å; R91-L93 PolarHBondContact O-N 2.81Å; L93-K95 PolarHBondContact O-N 3.38Å; L93-G96 PolarHBondContact O-N 3.36Å; L93-G96 VanDerWaalsContact O-N 3.12Å; L93-F124 HydrophobicContact CD1-CB 4.31Å; L93-F124 HydrophobicContact CD1-CD1 4.41Å; L93-F124 HydrophobicContact CD1-CD2 4.37Å; L93-F124 HydrophobicContact CD1-CG 4.1Å; L93-F124 HydrophobicContact CD2-CD1 4.02Å; L93-F124 HydrophobicContact CD2-CD2 3.72Å; L93-F124 HydrophobicContact CD2-CE1 3.78Å; L93-F124 HydrophobicContact CD2-CE2 3.48Å; L93-F124 VanDerWaalsContact CD2-CE2 3.48Å; L93-F124 HydrophobicContact CD2-CG 3.97Å; L93-F124 HydrophobicContact CD2-CZ 3.51Å; L93-F124 HydrophobicContact CG-CB 4.49Å; L93-F124 HydrophobicContact CG-CD1 3.7Å; L93-F124 HydrophobicContact CG-CD2 4.09Å; L93-F124 HydrophobicContact CG-CE1 3.85Å; L93-F124 HydrophobicContact CG-CE2 4.24Å; L93-F124 HydrophobicContact CG-CG 3.82Å; L93-F124 HydrophobicContact CG-CZ 4.12Å |
| 94 | E | 87.2 | Confident | 92.5 | Very high | 164 Ų | 164 | 56.1 Ų | 56.1 | 77% | 0.766 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -28 | 177.9 | -59.1 | 178.2 | 170.4 | 0 | 0 | 111.7 | R91 A92 G96 | R91-E94 WeakPolarHBondContact O-CB 3.38Å; R91-E94 PolarHBondContact O-N 2.81Å; A92-E94 VanDerWaalsContact C-N 3.32Å; A92-E94 PolarHBondContact O-N 3.4Å; E94-G96 PolarHBondContact O-N 3.26Å |
| 95 | K | 88 | Confident | 92.2 | Very high | 92 Ų | 92 | 52.2 Ų | 52.2 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.2 | 174.2 | -61 | -67 | -170.1 | 170.2 | 0 | 113.4 | R91 A92 L93 Y97 | R91-K95 PolarHBondContact O-N 2.89Å; A92-K95 PolarHBondContact O-N 3.08Å; L93-K95 PolarHBondContact O-N 3.38Å; K95-Y97 HydrophobicContact CB-CD2 3.89Å; K95-Y97 HydrophobicContact CB-CE2 3.88Å |
| 96 | G | 89.6 | Confident | 91.3 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 47% | 0.474 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | 3.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | A92 L93 E94 | A92-G96 PolarHBondContact O-N 3.07Å; L93-G96 PolarHBondContact O-N 3.36Å; L93-G96 VanDerWaalsContact O-N 3.12Å; E94-G96 PolarHBondContact O-N 3.26Å |
| 97 | Y | 93.5 | Very high | 89.8 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | trans | -68.5 | 140.3 | 176.6 | -66.2 | -81.4 | 0 | 0 | 0 | 111.5 | Q56 F58 L88 A92 K95 F103 I121 F124 | Q56-Y97 PolarHBondContact OE1-OH 3.21Å; F58-Y97 HydrophobicContact CE2-CE2 4.48Å; F58-Y97 AromaticContact CZ-CE2 3.95Å; F58-Y97 HydrophobicContact CZ-CE2 3.95Å; L88-Y97 HydrophobicContact CD1-CD1 4.2Å; L88-Y97 HydrophobicContact CD1-CG 4.05Å; A92-Y97 HydrophobicContact CB-CD2 3.66Å; A92-Y97 HydrophobicContact CB-CE2 4.43Å; A92-Y97 HydrophobicContact CB-CG 4.21Å; A92-Y97 WeakPolarHBondContact O-CB 3.45Å; A92-Y97 VanDerWaalsContact O-CD2 3.27Å; A92-Y97 WeakPolarHBondContact O-CD2 3.36Å; A92-Y97 PolarHBondContact O-N 3Å; A92-Y97 VanDerWaalsContact O-N 3.09Å; K95-Y97 HydrophobicContact CB-CD2 3.89Å; K95-Y97 HydrophobicContact CB-CE2 3.88Å; Y97-F103 HydrophobicContact CD1-CD2 4.03Å; Y97-F103 HydrophobicContact CD1-CE2 4.14Å; Y97-F103 AromaticContact CE1-CD2 3.65Å; Y97-F103 HydrophobicContact CE1-CD2 3.65Å; Y97-F103 AromaticContact CE1-CE2 3.48Å; Y97-F103 HydrophobicContact CE1-CE2 3.48Å; Y97-F103 VanDerWaalsContact CE1-CE2 3.48Å; Y97-F103 AromaticContact CZ-CE2 3.84Å; Y97-I121 HydrophobicContact CD1-CD1 4.11Å; Y97-F124 WeakPolarHBondContact O-CZ 3.3Å | ||
| 98 | K | 94 | Very high | 87.9 | Confident | 149 Ų | 149 | 63.7 Ų | 63.7 | 65% | 0.648 | 32% | 0.324 | S | S | * | . | trans | -122.9 | 155.4 | -176.2 | -64.6 | 177.6 | -173.5 | 173.7 | 0 | 112.4 | Q101 | K98-Q101 VanDerWaalsContact O-CB 3.27Å; K98-Q101 WeakPolarHBondContact O-CB 3.4Å; K98-Q101 PolarHBondContact O-N 2.86Å | ||
| 99 | L | 93.6 | Very high | 86.2 | Confident | 70 Ų | 70 | 69 Ų | 69 | 37% | 0.366 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 142.4 | 173.9 | -165 | 72 | 0 | 0 | 0 | 110.7 | Q101 V122 | L99-Q101 PolarHBondContact O-N 3.01Å; L99-V122 VanDerWaalsContact CD1-O 3.29Å; L99-V122 WeakPolarHBondContact CD1-O 3.12Å |
| 100 | N | 92.5 | Very high | 84.4 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 2.5 | -177.3 | -57.7 | -59.2 | 0 | 0 | 0 | 116.2 | K120 I121 | N100-K120 WeakPolarHBondContact OD1-CE 3.49Å; N100-K120 PolarHBondContact OD1-NZ 3.44Å; N100-I121 WeakPolarHBondContact CA-O 3.5Å; N100-I121 PolarHBondContact N-O 3.35Å |
| 101 | Q | 92.8 | Very high | 83 | Confident | 80 Ų | 80 | 76.5 Ų | 76.5 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | trans | -69 | 147.7 | 171.5 | 178.5 | -177.7 | -3.3 | 0 | 0 | 110.4 | K98 L99 I121 | K98-Q101 VanDerWaalsContact O-CB 3.27Å; K98-Q101 WeakPolarHBondContact O-CB 3.4Å; K98-Q101 PolarHBondContact O-N 2.86Å; L99-Q101 PolarHBondContact O-N 3.01Å; Q101-I121 HydrophobicContact CB-CD1 4.18Å; Q101-I121 PolarHBondContact O-N 3.04Å | ||
| 102 | R | 92.2 | Very high | 82.2 | Confident | 152 Ų | 152 | 80.8 Ų | 80.8 | 57% | 0.574 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 132.7 | 170.4 | -71.8 | -73.3 | -176.8 | 175.8 | -0.2 | 109.3 | F119 | R102-F119 CarbonylContact C-O 3.57Å; R102-F119 VanDerWaalsContact CA-O 3.31Å; R102-F119 WeakPolarHBondContact CA-O 3.33Å |
| 103 | F | 90.4 | Very high | 81.8 | Confident | 7 Ų | 7 | 83 Ų | 83 | 3% | 0.031 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116 | 179.4 | -172.6 | -102.3 | 0 | 0 | 0 | 108 | L51 F58 I86 L88 Y97 I105 F119 I121 | L51-F103 HydrophobicContact CD1-CE1 4.49Å; L51-F103 HydrophobicContact CD1-CE2 4Å; L51-F103 HydrophobicContact CD1-CZ 3.65Å; F58-F103 HydrophobicContact CD1-CZ 4.06Å; F58-F103 HydrophobicContact CD2-CZ 4.15Å; F58-F103 HydrophobicContact CE1-CE2 4.36Å; F58-F103 AromaticContact CE1-CZ 3.91Å; F58-F103 HydrophobicContact CE1-CZ 3.91Å; F58-F103 HydrophobicContact CE2-CE2 4.31Å; F58-F103 HydrophobicContact CE2-CZ 4.02Å; F58-F103 HydrophobicContact CG-CZ 4.17Å; F58-F103 HydrophobicContact CZ-CE2 4.04Å; F58-F103 AromaticContact CZ-CZ 3.89Å; F58-F103 HydrophobicContact CZ-CZ 3.89Å; I86-F103 HydrophobicContact CD1-CD1 3.73Å; I86-F103 HydrophobicContact CD1-CE1 3.9Å; I86-F103 HydrophobicContact CG2-CB 4.21Å; I86-F103 HydrophobicContact CG2-CD1 4.49Å; L88-F103 HydrophobicContact CD1-CD2 4.17Å; L88-F103 HydrophobicContact CD1-CE2 4.16Å; L88-F103 HydrophobicContact CD2-CD1 4.42Å; L88-F103 HydrophobicContact CD2-CE1 4.16Å; L88-F103 HydrophobicContact CD2-CE2 4.37Å; L88-F103 HydrophobicContact CD2-CZ 4.14Å; Y97-F103 HydrophobicContact CD1-CD2 4.03Å; Y97-F103 HydrophobicContact CD1-CE2 4.14Å; Y97-F103 AromaticContact CE1-CD2 3.65Å; Y97-F103 HydrophobicContact CE1-CD2 3.65Å; Y97-F103 AromaticContact CE1-CE2 3.48Å; Y97-F103 HydrophobicContact CE1-CE2 3.48Å; Y97-F103 VanDerWaalsContact CE1-CE2 3.48Å; Y97-F103 AromaticContact CZ-CE2 3.84Å; F103-I105 HydrophobicContact CD1-CG2 3.61Å; F103-I105 HydrophobicContact CE1-CG2 3.38Å; F103-I105 HydrophobicContact CZ-CG2 4.49Å; F103-F119 PolarHBondContact N-O 3.4Å; F103-F119 PolarHBondContact O-N 2.86Å; F103-I121 HydrophobicContact CB-CD1 4.08Å; F103-I121 HydrophobicContact CB-CG1 3.83Å; F103-I121 HydrophobicContact CD2-CD1 4.24Å |
| 104 | D | 88.8 | Confident | 81.7 | Confident | 64 Ų | 64 | 80.5 Ų | 80.5 | 34% | 0.342 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.6 | 179.7 | -160.9 | -15.8 | 0 | 0 | 0 | 109.2 | S106 A117 N118 | D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 WeakPolarHBondContact OD1-CB 3.19Å; D104-S106 PolarHBondContact OD1-N 3.07Å; D104-S106 PolarHBondContact OD1-OG 3.1Å; D104-S106 PolarHBondContact OD2-OG 3.27Å; D104-A117 WeakPolarHBondContact CA-O 3.38Å; D104-A117 WeakPolarHBondContact OD1-CB 3.35Å; D104-N118 WeakPolarHBondContact CB-OD1 3.4Å; D104-N118 PolarHBondContact OD2-ND2 2.93Å; D104-N118 PolarHBondContact OD2-OD1 3.47Å |
| 105 | I | 86.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | trans | -93.6 | 10.2 | 174.7 | 66.7 | 168.1 | 0 | 0 | 0 | 112.1 | V49 I60 F103 A107 T110 F114 A117 F119 | V49-I105 HydrophobicContact CG1-CB 4.44Å; I60-I105 HydrophobicContact CD1-CB 4.26Å; I60-I105 HydrophobicContact CD1-CD1 3.84Å; I60-I105 HydrophobicContact CD1-CG2 3.8Å; F103-I105 HydrophobicContact CD1-CG2 3.61Å; F103-I105 HydrophobicContact CE1-CG2 3.38Å; F103-I105 HydrophobicContact CZ-CG2 4.49Å; I105-A107 PolarHBondContact O-N 3.46Å; I105-T110 WeakPolarHBondContact O-CG2 3.45Å; I105-F114 HydrophobicContact CD1-CB 4.23Å; I105-F114 HydrophobicContact CD1-CD1 4.01Å; I105-F114 HydrophobicContact CD1-CD2 3.53Å; I105-F114 HydrophobicContact CD1-CE1 4.2Å; I105-F114 HydrophobicContact CD1-CE2 3.76Å; I105-F114 HydrophobicContact CD1-CG 3.65Å; I105-F114 HydrophobicContact CD1-CZ 4.07Å; I105-A117 HydrophobicContact CG1-CB 4.28Å; I105-A117 VanDerWaalsContact CG1-O 3.29Å; I105-A117 WeakPolarHBondContact CG1-O 3.38Å; I105-A117 PolarHBondContact N-O 3.37Å; I105-F119 HydrophobicContact CD1-CD2 4.42Å; I105-F119 HydrophobicContact CD1-CE2 3.62Å; I105-F119 HydrophobicContact CD1-CZ 4.43Å; I105-F119 HydrophobicContact CG1-CD2 4.34Å; I105-F119 HydrophobicContact CG1-CE2 3.88Å | ||
| 106 | S | 76.5 | Confident | 81.7 | Confident | 62 Ų | 62 | 79.4 Ų | 79.4 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | trans | -60.5 | 102.9 | 180 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | D104 T110 | D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 WeakPolarHBondContact OD1-CB 3.19Å; D104-S106 PolarHBondContact OD1-N 3.07Å; D104-S106 PolarHBondContact OD1-OG 3.1Å; D104-S106 PolarHBondContact OD2-OG 3.27Å; S106-T110 WeakPolarHBondContact CA-OG1 3.48Å | ||
| 107 | A | 65.7 | Low | 81.6 | Confident | 29 Ų | 29 | 78.4 Ų | 78.4 | 24% | 0.24 | 38% | 0.378 | C | S | . | . | trans | -118.3 | 167 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | V49 N50 I105 E109 T110 | V49-A107 HydrophobicContact CG1-CB 4.13Å; N50-A107 VanDerWaalsContact O-CB 3.3Å; N50-A107 WeakPolarHBondContact O-CB 3.37Å; I105-A107 PolarHBondContact O-N 3.46Å; A107-E109 PolarHBondContact O-N 3.49Å; A107-T110 HydrophobicContact CB-CG2 3.88Å; A107-T110 PolarHBondContact N-OG1 3.21Å; A107-T110 VanDerWaalsContact N-OG1 3.1Å; A107-T110 PolarHBondContact O-N 2.7Å; A107-T110 PolarHBondContact O-OG1 2.71Å | ||
| 108 | D | 57 | Low | 81.4 | Confident | 167 Ų | 167 | 81.3 Ų | 81.3 | 89% | 0.893 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -19.7 | -168.9 | -63.9 | -37.7 | 0 | 0 | 0 | 114.9 | ||
| 109 | E | 59.8 | Low | 81.4 | Confident | 111 Ų | 111 | 74.2 Ų | 74.2 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 6.8 | 179.1 | -59.2 | -154 | 114.9 | 0 | 0 | 116 | A107 Q111 K112 | A107-E109 PolarHBondContact O-N 3.49Å; E109-Q111 VanDerWaalsContact C-N 3.28Å; E109-Q111 PolarHBondContact O-N 3.3Å; E109-Q111 VanDerWaalsContact O-N 3.17Å; E109-K112 WeakPolarHBondContact O-CB 3.22Å; E109-K112 PolarHBondContact O-N 3.33Å; E109-K112 VanDerWaalsContact O-N 3.08Å; E109-K112 IonicContact OE1-NZ 3.32Å; E109-K112 PolarHBondContact OE1-NZ 3.37Å |
| 110 | T | 58.8 | Low | 81.5 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 8% | 0.08 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -64.5 | -25.7 | -170.9 | 44.5 | 0 | 0 | 0 | 0 | 115.7 | V49 I105 S106 A107 K112 H113 F114 | V49-T110 HydrophobicContact CG1-CG2 3.96Å; V49-T110 HydrophobicContact CG2-CG2 4.44Å; I105-T110 WeakPolarHBondContact O-CG2 3.45Å; S106-T110 WeakPolarHBondContact CA-OG1 3.48Å; A107-T110 HydrophobicContact CB-CG2 3.88Å; A107-T110 PolarHBondContact N-OG1 3.21Å; A107-T110 VanDerWaalsContact N-OG1 3.1Å; A107-T110 PolarHBondContact O-N 2.7Å; A107-T110 PolarHBondContact O-OG1 2.71Å; T110-K112 PolarHBondContact O-N 2.71Å; T110-H113 PolarHBondContact O-N 3.42Å; T110-H113 VanDerWaalsContact O-N 3.13Å; T110-F114 HydrophobicContact CG2-CD2 4.22Å; T110-F114 HydrophobicContact CG2-CE2 4.29Å; T110-F114 PolarHBondContact O-N 3.22Å; T110-F114 VanDerWaalsContact O-N 3.07Å |
| 111 | Q | 62.1 | Low | 81.8 | Confident | 183 Ų | 183 | 69.9 Ų | 69.9 | 86% | 0.855 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -63 | -21.5 | 176 | -63.8 | -166.3 | -0.8 | 0 | 0 | 113.1 | E109 | E109-Q111 VanDerWaalsContact C-N 3.28Å; E109-Q111 PolarHBondContact O-N 3.3Å; E109-Q111 VanDerWaalsContact O-N 3.17Å |
| 112 | K | 74.2 | Confident | 82 | Confident | 135 Ų | 135 | 66.4 Ų | 66.4 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -74 | -29.5 | 176.8 | -66.3 | 178.3 | -176.9 | 168.1 | 0 | 112.6 | E109 T110 T158 | E109-K112 WeakPolarHBondContact O-CB 3.22Å; E109-K112 PolarHBondContact O-N 3.33Å; E109-K112 VanDerWaalsContact O-N 3.08Å; E109-K112 IonicContact OE1-NZ 3.32Å; E109-K112 PolarHBondContact OE1-NZ 3.37Å; T110-K112 PolarHBondContact O-N 2.71Å; K112-T158 PolarHBondContact O-OG1 3.33Å |
| 113 | H | 83.3 | Confident | 82.2 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 22% | 0.218 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -23.6 | -168.1 | -60.6 | -63.8 | 0 | 0 | 0 | 114.4 | Q47 T110 F157 T158 | Q47-H113 HydrophobicContact CG-CB 4.1Å; T110-H113 PolarHBondContact O-N 3.42Å; T110-H113 VanDerWaalsContact O-N 3.13Å; H113-F157 WeakPolarHBondContact O-CA 3.46Å; H113-T158 WeakPolarHBondContact CA-OG1 3.38Å; H113-T158 PolarHBondContact O-N 2.88Å; H113-T158 PolarHBondContact O-OG1 3.05Å |
| 114 | F | 88.8 | Confident | 82.5 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -128.5 | 142.6 | -176.4 | -52.7 | -78.7 | 0 | 0 | 0 | 111.4 | Q47 V49 I60 I105 T110 R116 I152 S156 F157 | Q47-F114 HydrophobicContact CB-CE1 4.48Å; Q47-F114 HydrophobicContact CB-CE2 4.44Å; Q47-F114 HydrophobicContact CB-CZ 3.77Å; Q47-F114 HydrophobicContact CG-CE2 4.07Å; Q47-F114 HydrophobicContact CG-CZ 3.91Å; V49-F114 HydrophobicContact CG2-CE2 3.61Å; V49-F114 HydrophobicContact CG2-CZ 3.87Å; I60-F114 HydrophobicContact CB-CE1 4.41Å; I60-F114 HydrophobicContact CB-CZ 4.24Å; I60-F114 HydrophobicContact CD1-CE1 4.33Å; I60-F114 HydrophobicContact CD1-CE2 4.43Å; I60-F114 HydrophobicContact CD1-CZ 3.83Å; I60-F114 HydrophobicContact CG2-CE1 4.12Å; I60-F114 HydrophobicContact CG2-CZ 4.42Å; I105-F114 HydrophobicContact CD1-CB 4.23Å; I105-F114 HydrophobicContact CD1-CD1 4.01Å; I105-F114 HydrophobicContact CD1-CD2 3.53Å; I105-F114 HydrophobicContact CD1-CE1 4.2Å; I105-F114 HydrophobicContact CD1-CE2 3.76Å; I105-F114 HydrophobicContact CD1-CG 3.65Å; I105-F114 HydrophobicContact CD1-CZ 4.07Å; T110-F114 HydrophobicContact CG2-CD2 4.22Å; T110-F114 HydrophobicContact CG2-CE2 4.29Å; T110-F114 PolarHBondContact O-N 3.22Å; T110-F114 VanDerWaalsContact O-N 3.07Å; F114-R116 VanDerWaalsContact CB-O 3.31Å; F114-R116 WeakPolarHBondContact CB-O 3.37Å; F114-R116 PolarHBondContact O-N 3.37Å; F114-I152 HydrophobicContact CD1-CD1 3.82Å; F114-I152 HydrophobicContact CE1-CD1 3.84Å; F114-S156 CarbonylContact C-O 3.59Å; F114-S156 WeakPolarHBondContact CA-O 3.48Å; F114-F157 HydrophobicContact CD1-CD1 4.21Å; F114-F157 HydrophobicContact CD1-CE1 4.28Å; F114-F157 AromaticContact CE1-CD1 3.89Å; F114-F157 HydrophobicContact CE1-CD1 3.89Å; F114-F157 AromaticContact CE1-CE1 3.53Å; F114-F157 HydrophobicContact CE1-CE1 3.53Å; F114-F157 AromaticContact CE1-CZ 3.91Å; F114-F157 HydrophobicContact CE1-CZ 3.91Å; F114-F157 HydrophobicContact CZ-CE1 4.29Å |
| 115 | K | 88.2 | Confident | 82.8 | Confident | 144 Ų | 144 | 55.8 Ų | 55.8 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -70.7 | -12.9 | 175.8 | -64.3 | -177.1 | -171.3 | 161.2 | 0 | 113 | E155 S156 F157 T158 | K115-E155 VanDerWaalsContact CD-O 3.26Å; K115-E155 WeakPolarHBondContact CD-O 3.27Å; K115-E155 WeakPolarHBondContact CE-O 3.45Å; K115-E155 PolarHBondContact NZ-O 3.03Å; K115-S156 PolarHBondContact N-O 3.29Å; K115-F157 WeakPolarHBondContact CE-O 3.25Å; K115-T158 HydrophobicContact CG-CG2 3.81Å |
| 116 | R | 88 | Confident | 83.1 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | trans | -160.2 | 158.9 | -179.1 | 53.1 | 172.6 | 41 | -174.1 | -11.9 | 111 | S83 E84 F114 F119 | S83-R116 VanDerWaalsContact O-CD 3.31Å; S83-R116 WeakPolarHBondContact O-CD 3.47Å; S83-R116 PolarHBondContact O-NH1 3.48Å; E84-R116 VanDerWaalsContact CA-NH1 3.34Å; E84-R116 VanDerWaalsContact CD-NH1 3.26Å; E84-R116 IonicContact OE1-CZ 3.54Å; E84-R116 VanDerWaalsContact OE1-CZ 3.29Å; E84-R116 IonicContact OE1-NH1 2.71Å; E84-R116 PolarHBondContact OE1-NH1 3.06Å; E84-R116 IonicContact OE1-NH2 2.71Å; E84-R116 PolarHBondContact OE1-NH2 3.31Å; F114-R116 VanDerWaalsContact CB-O 3.31Å; F114-R116 WeakPolarHBondContact CB-O 3.37Å; F114-R116 PolarHBondContact O-N 3.37Å; R116-F119 HydrophobicContact CG-CE1 4.16Å; R116-F119 HydrophobicContact CG-CE2 4.43Å; R116-F119 HydrophobicContact CG-CZ 3.79Å | ||
| 117 | A | 86.7 | Confident | 83.9 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 21% | 0.207 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -109.1 | -23.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | D104 I105 F119 | D104-A117 WeakPolarHBondContact CA-O 3.38Å; D104-A117 WeakPolarHBondContact OD1-CB 3.35Å; I105-A117 HydrophobicContact CG1-CB 4.28Å; I105-A117 VanDerWaalsContact CG1-O 3.29Å; I105-A117 WeakPolarHBondContact CG1-O 3.38Å; I105-A117 PolarHBondContact N-O 3.37Å; A117-F119 WeakPolarHBondContact O-CD2 3.42Å |
| 118 | N | 90.9 | Very high | 85.2 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.9 | -173.3 | -88.3 | -69.8 | 0 | 0 | 0 | 112.7 | D104 | D104-N118 WeakPolarHBondContact CB-OD1 3.4Å; D104-N118 PolarHBondContact OD2-ND2 2.93Å; D104-N118 PolarHBondContact OD2-OD1 3.47Å |
| 119 | F | 93.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 162.3 | -179.2 | -62.1 | -90.6 | 0 | 0 | 0 | 111.9 | S83 E84 I86 R102 F103 I105 R116 A117 I152 | S83-F119 VanDerWaalsContact O-CE1 3.29Å; S83-F119 WeakPolarHBondContact O-CE1 3.22Å; E84-F119 CarbonylContact O-C 3.45Å; E84-F119 WeakPolarHBondContact O-CA 3.14Å; I86-F119 HydrophobicContact CB-CB 3.75Å; I86-F119 HydrophobicContact CB-CD1 4.45Å; I86-F119 HydrophobicContact CB-CG 4.2Å; I86-F119 HydrophobicContact CG2-CB 3.51Å; I86-F119 HydrophobicContact CG2-CG 4.45Å; R102-F119 CarbonylContact C-O 3.57Å; R102-F119 VanDerWaalsContact CA-O 3.31Å; R102-F119 WeakPolarHBondContact CA-O 3.33Å; F103-F119 PolarHBondContact N-O 3.4Å; F103-F119 PolarHBondContact O-N 2.86Å; I105-F119 HydrophobicContact CD1-CD2 4.42Å; I105-F119 HydrophobicContact CD1-CE2 3.62Å; I105-F119 HydrophobicContact CD1-CZ 4.43Å; I105-F119 HydrophobicContact CG1-CD2 4.34Å; I105-F119 HydrophobicContact CG1-CE2 3.88Å; R116-F119 HydrophobicContact CG-CE1 4.16Å; R116-F119 HydrophobicContact CG-CE2 4.43Å; R116-F119 HydrophobicContact CG-CZ 3.79Å; A117-F119 WeakPolarHBondContact O-CD2 3.42Å; F119-I152 HydrophobicContact CD1-CG2 4.11Å; F119-I152 HydrophobicContact CE1-CB 4.35Å; F119-I152 HydrophobicContact CE1-CD1 4.42Å; F119-I152 HydrophobicContact CE1-CG2 3.96Å; F119-I152 HydrophobicContact CZ-CD1 4.05Å; F119-I152 HydrophobicContact CZ-CG2 4.31Å |
| 120 | K | 95.7 | Very high | 88.3 | Confident | 75 Ų | 75 | 42 Ų | 42 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.9 | 171.7 | -178.7 | -177.4 | 176.7 | -175.7 | 0 | 109.6 | E84 E85 I86 N100 V122 | E84-K120 PolarHBondContact O-N 2.86Å; E85-K120 WeakPolarHBondContact CA-O 3.45Å; I86-K120 PolarHBondContact N-O 2.84Å; N100-K120 WeakPolarHBondContact OD1-CE 3.49Å; N100-K120 PolarHBondContact OD1-NZ 3.44Å; K120-V122 PolarHBondContact O-N 3.42Å |
| 121 | I | 97 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 115.8 | 177.2 | -58.2 | 171.9 | 0 | 0 | 0 | 109.3 | I86 L88 Y97 N100 Q101 F103 F124 | I86-I121 HydrophobicContact CG2-CG1 4.02Å; I86-I121 CarbonylContact O-C 3.59Å; I86-I121 WeakPolarHBondContact O-CA 3.37Å; L88-I121 HydrophobicContact CD1-CD1 3.53Å; L88-I121 HydrophobicContact CD1-CG1 3.96Å; L88-I121 HydrophobicContact CD1-CG2 4.34Å; L88-I121 HydrophobicContact CG-CD1 4.42Å; L88-I121 HydrophobicContact CG-CG1 4.34Å; L88-I121 HydrophobicContact CG-CG2 4.34Å; Y97-I121 HydrophobicContact CD1-CD1 4.11Å; N100-I121 WeakPolarHBondContact CA-O 3.5Å; N100-I121 PolarHBondContact N-O 3.35Å; Q101-I121 HydrophobicContact CB-CD1 4.18Å; Q101-I121 PolarHBondContact O-N 3.04Å; F103-I121 HydrophobicContact CB-CD1 4.08Å; F103-I121 HydrophobicContact CB-CG1 3.83Å; F103-I121 HydrophobicContact CD2-CD1 4.24Å; I121-F124 HydrophobicContact CG2-CE2 4.2Å; I121-F124 HydrophobicContact CG2-CZ 3.98Å |
| 122 | V | 97 | Very high | 90.4 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.036 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -5.9 | -179.5 | -67 | 0 | 0 | 0 | 0 | 114.4 | R78 P80 E85 I86 L99 K120 | R78-V122 HydrophobicContact CG-CB 4.34Å; R78-V122 PolarHBondContact N-O 3.47Å; R78-V122 CarbonylContact O-C 3.57Å; P80-V122 HydrophobicContact CB-CG2 4.43Å; E85-V122 HydrophobicContact CB-CG1 3.96Å; E85-V122 HydrophobicContact CB-CG2 3.91Å; E85-V122 HydrophobicContact CG-CG1 3.54Å; E85-V122 HydrophobicContact CG-CG2 4.38Å; I86-V122 WeakPolarHBondContact O-CG2 2.8Å; I86-V122 PolarHBondContact O-N 2.92Å; L99-V122 VanDerWaalsContact CD1-O 3.29Å; L99-V122 WeakPolarHBondContact CD1-O 3.12Å; K120-V122 PolarHBondContact O-N 3.42Å |
| 123 | G | 96.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | -177.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K76 V87 L88 | K76-G123 CarbonylContact O-C 3.55Å; K76-G123 WeakPolarHBondContact O-CA 3.47Å; V87-G123 WeakPolarHBondContact CA-O 3.27Å; V87-G123 WeakPolarHBondContact CG2-O 3.32Å; L88-G123 PolarHBondContact N-O 2.86Å; L88-G123 VanDerWaalsContact N-O 3.07Å |
| 124 | F | 97.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.5 | 177.4 | -62.1 | -88.6 | 0 | 0 | 0 | 109.3 | T75 K76 L88 A92 L93 Y97 I121 | T75-F124 PolarHBondContact N-O 3.25Å; T75-F124 PolarHBondContact OG1-O 3.3Å; T75-F124 VanDerWaalsContact OG1-O 3.08Å; K76-F124 HydrophobicContact CB-CB 4.4Å; K76-F124 HydrophobicContact CB-CD2 4.24Å; K76-F124 PolarHBondContact N-O 3.03Å; K76-F124 PolarHBondContact O-N 3.08Å; L88-F124 HydrophobicContact CB-CD1 4.09Å; L88-F124 HydrophobicContact CB-CE1 4.17Å; L88-F124 HydrophobicContact CD1-CE1 4.39Å; L88-F124 CarbonylContact O-C 3.56Å; L88-F124 WeakPolarHBondContact O-CA 3.34Å; A92-F124 HydrophobicContact CB-CD1 4.26Å; A92-F124 HydrophobicContact CB-CE1 3.96Å; L93-F124 HydrophobicContact CD1-CB 4.31Å; L93-F124 HydrophobicContact CD1-CD1 4.41Å; L93-F124 HydrophobicContact CD1-CD2 4.37Å; L93-F124 HydrophobicContact CD1-CG 4.1Å; L93-F124 HydrophobicContact CD2-CD1 4.02Å; L93-F124 HydrophobicContact CD2-CD2 3.72Å; L93-F124 HydrophobicContact CD2-CE1 3.78Å; L93-F124 HydrophobicContact CD2-CE2 3.48Å; L93-F124 VanDerWaalsContact CD2-CE2 3.48Å; L93-F124 HydrophobicContact CD2-CG 3.97Å; L93-F124 HydrophobicContact CD2-CZ 3.51Å; L93-F124 HydrophobicContact CG-CB 4.49Å; L93-F124 HydrophobicContact CG-CD1 3.7Å; L93-F124 HydrophobicContact CG-CD2 4.09Å; L93-F124 HydrophobicContact CG-CE1 3.85Å; L93-F124 HydrophobicContact CG-CE2 4.24Å; L93-F124 HydrophobicContact CG-CG 3.82Å; L93-F124 HydrophobicContact CG-CZ 4.12Å; Y97-F124 WeakPolarHBondContact O-CZ 3.3Å; I121-F124 HydrophobicContact CG2-CE2 4.2Å; I121-F124 HydrophobicContact CG2-CZ 3.98Å |
| 125 | V | 95.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.6 | -172.7 | -74.6 | 0 | 0 | 0 | 0 | 112.9 | V72 V73 V74 L79 V87 L88 D90 F149 F151 | V72-V125 HydrophobicContact CB-CB 4.11Å; V72-V125 HydrophobicContact CB-CG1 4.22Å; V72-V125 HydrophobicContact CG2-CB 4.34Å; V72-V125 HydrophobicContact CG2-CG1 3.92Å; V73-V125 CarbonylContact O-C 3.54Å; V73-V125 VanDerWaalsContact O-CA 3.22Å; V73-V125 WeakPolarHBondContact O-CA 3.16Å; V74-V125 HydrophobicContact CB-CG1 4.44Å; V74-V125 HydrophobicContact CG2-CG1 4.01Å; L79-V125 HydrophobicContact CD2-CG1 3.78Å; V87-V125 HydrophobicContact CG1-CG2 4.13Å; V87-V125 HydrophobicContact CG2-CB 4.29Å; V87-V125 HydrophobicContact CG2-CG1 3.58Å; V87-V125 HydrophobicContact CG2-CG2 3.92Å; L88-V125 WeakPolarHBondContact O-CG2 3.34Å; L88-V125 PolarHBondContact O-N 3.47Å; D90-V125 PolarHBondContact N-O 2.94Å; V125-F149 HydrophobicContact CG2-CE2 4Å; V125-F151 HydrophobicContact CG2-CD2 4.07Å; V125-F151 HydrophobicContact CG2-CE2 4.24Å |
| 126 | K | 93.2 | Very high | 89.6 | Confident | 57 Ų | 57 | 23.7 Ų | 23.7 | 25% | 0.248 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 138.4 | 161.8 | -68.4 | 179 | 179.4 | -154.3 | 0 | 109 | V72 V73 T75 D90 N379 | V72-K126 CarbonylContact C-O 3.52Å; V72-K126 WeakPolarHBondContact CA-O 3.22Å; V73-K126 PolarHBondContact N-O 3.25Å; V73-K126 PolarHBondContact O-N 3.34Å; T75-K126 HydrophobicContact CG2-CB 4.44Å; T75-K126 HydrophobicContact CG2-CD 3.86Å; T75-K126 HydrophobicContact CG2-CG 3.7Å; D90-K126 HydrophobicContact CB-CG 3.91Å; D90-K126 WeakPolarHBondContact OD2-CE 3.49Å; D90-K126 IonicContact OD2-NZ 3.07Å; K126-N379 HydrophobicContact CD-CB 4.17Å; K126-N379 WeakPolarHBondContact CD-OD1 3.37Å; K126-N379 WeakPolarHBondContact CE-OD1 3.33Å; K126-N379 PolarHBondContact NZ-OD1 3.3Å; K126-N379 VanDerWaalsContact NZ-OD1 3.16Å |
| 127 | S | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -107.6 | 139.6 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 110 | E129 F130 | S127-E129 PolarHBondContact O-N 2.63Å; S127-E129 VanDerWaalsContact O-N 3.13Å; S127-E129 WeakPolarHBondContact OG-CB 3.17Å; S127-E129 PolarHBondContact OG-N 3.45Å; S127-E129 PolarHBondContact OG-OE1 2.7Å; S127-F130 PolarHBondContact O-N 3.01Å | ||
| 128 | P | 91.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12 | 173.3 | 30.5 | -39 | 0 | 0 | 0 | 113.4 | Y8 Q12 L14 R71 I131 | Y8-P128 HydrophobicContact CE1-CB 3.88Å; Q12-P128 HydrophobicContact CB-CB 3.96Å; Q12-P128 HydrophobicContact CB-CG 3.81Å; Q12-P128 HydrophobicContact CG-CB 4.46Å; L14-P128 HydrophobicContact CB-CB 4.38Å; L14-P128 HydrophobicContact CD1-CB 4.1Å; L14-P128 HydrophobicContact CD1-CG 4.17Å; R71-P128 VanDerWaalsContact O-CD 3.28Å; R71-P128 WeakPolarHBondContact O-CD 3.28Å; P128-I131 WeakPolarHBondContact O-CG1 3.5Å |
| 129 | E | 91 | Very high | 88.4 | Confident | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -25.8 | 177.7 | -60.1 | 176.1 | -97.7 | 0 | 0 | 113.3 | L14 R18 R44 N70 S127 N279 | L14-E129 HydrophobicContact CD1-CG 3.81Å; R18-E129 IonicContact NH1-OE2 3.54Å; R44-E129 IonicContact CZ-OE1 3.06Å; R44-E129 IonicContact CZ-OE2 2.73Å; R44-E129 IonicContact NH1-OE1 2.99Å; R44-E129 PolarHBondContact NH1-OE1 3.37Å; R44-E129 IonicContact NH1-OE2 3.68Å; R44-E129 PolarHBondContact NH1-OE2 3.02Å; R44-E129 IonicContact NH2-OE1 2.86Å; R44-E129 PolarHBondContact NH2-OE1 2.96Å; R44-E129 IonicContact NH2-OE2 3.29Å; R44-E129 PolarHBondContact NH2-OE2 3.02Å; N70-E129 HydrophobicContact CB-CG 4.22Å; N70-E129 WeakPolarHBondContact ND2-CG 3.23Å; N70-E129 PolarHBondContact ND2-OE1 3.24Å; N70-E129 PolarHBondContact ND2-OE2 3.34Å; N70-E129 VanDerWaalsContact ND2-OE2 3.14Å; S127-E129 PolarHBondContact O-N 2.63Å; S127-E129 VanDerWaalsContact O-N 3.13Å; S127-E129 WeakPolarHBondContact OG-CB 3.17Å; S127-E129 PolarHBondContact OG-N 3.45Å; S127-E129 PolarHBondContact OG-OE1 2.7Å; E129-N279 PolarHBondContact O-ND2 2.93Å |
| 130 | F | 90.5 | Very high | 87.5 | Confident | 17 Ų | 17 | 26.2 Ų | 26.2 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | trans | -109.5 | 78 | 179 | -59.8 | -74.8 | 0 | 0 | 0 | 108.7 | F61 S127 R136 F149 N379 | F61-F130 AromaticContact CE2-CE2 3.71Å; F61-F130 HydrophobicContact CE2-CE2 3.71Å; F61-F130 AromaticContact CE2-CZ 3.82Å; F61-F130 HydrophobicContact CE2-CZ 3.82Å; F61-F130 HydrophobicContact CZ-CE2 4.07Å; F61-F130 AromaticContact CZ-CZ 3.88Å; F61-F130 HydrophobicContact CZ-CZ 3.88Å; S127-F130 PolarHBondContact O-N 3.01Å; F130-R136 HydrophobicContact CD1-CB 4.19Å; F130-R136 HydrophobicContact CE1-CB 4.16Å; F130-R136 WeakPolarHBondContact CE1-O 3.32Å; F130-F149 HydrophobicContact CB-CE1 4.13Å; F130-F149 AromaticContact CD2-CD1 3.31Å; F130-F149 HydrophobicContact CD2-CD1 3.31Å; F130-F149 AromaticContact CD2-CE1 3.42Å; F130-F149 HydrophobicContact CD2-CE1 3.42Å; F130-F149 VanDerWaalsContact CD2-CE1 3.42Å; F130-F149 AromaticContact CD2-CG 3.94Å; F130-F149 HydrophobicContact CD2-CG 3.94Å; F130-F149 HydrophobicContact CD2-CZ 4.14Å; F130-F149 HydrophobicContact CE2-CB 3.98Å; F130-F149 AromaticContact CE2-CD1 3.49Å; F130-F149 HydrophobicContact CE2-CD1 3.49Å; F130-F149 VanDerWaalsContact CE2-CD1 3.49Å; F130-F149 HydrophobicContact CE2-CD2 4.41Å; F130-F149 HydrophobicContact CE2-CE1 4.07Å; F130-F149 AromaticContact CE2-CG 3.69Å; F130-F149 HydrophobicContact CE2-CG 3.69Å; F130-F149 AromaticContact CG-CD1 3.97Å; F130-F149 HydrophobicContact CG-CD1 3.97Å; F130-F149 AromaticContact CG-CE1 3.97Å; F130-F149 HydrophobicContact CG-CE1 3.97Å; F130-F149 HydrophobicContact CZ-CB 4.37Å; F130-F149 HydrophobicContact CZ-CD1 4.25Å; F130-F149 HydrophobicContact CZ-CG 4.49Å; F130-N379 PolarHBondContact O-ND2 3.3Å | ||
| 131 | I | 84.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | trans | -67.9 | -41.4 | -175.4 | -59.3 | 154.8 | 0 | 0 | 0 | 110.2 | Y9 P128 Y282 Y378 N379 | Y9-I131 HydrophobicContact CE1-CD1 4Å; Y9-I131 HydrophobicContact CE1-CG1 3.97Å; Y9-I131 WeakPolarHBondContact OH-CD1 3.33Å; Y9-I131 WeakPolarHBondContact OH-CG1 3.46Å; P128-I131 WeakPolarHBondContact O-CG1 3.5Å; I131-Y282 HydrophobicContact CD1-CD2 4.08Å; I131-Y282 HydrophobicContact CD1-CG 4.32Å; I131-Y378 HydrophobicContact CG2-CD1 3.84Å; I131-Y378 HydrophobicContact CG2-CG 4.46Å; I131-Y378 CarbonylContact O-C 3.59Å; I131-Y378 WeakPolarHBondContact O-CA 3.24Å; I131-N379 PolarHBondContact O-N 3.12Å | ||
| 132 | E | 81.2 | Confident | 85.5 | Confident | 22 Ų | 22 | 25.4 Ų | 25.4 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -68.8 | 155.2 | 171.5 | -70.3 | 170.8 | -142.3 | 0 | 0 | 111.6 | S135 R136 G281 L377 Y378 N379 | E132-S135 WeakPolarHBondContact OE2-CB 3.34Å; E132-R136 PolarHBondContact O-NH1 3.13Å; E132-G281 WeakPolarHBondContact OE1-CA 3.09Å; E132-G281 PolarHBondContact OE1-N 3.43Å; E132-L377 CarbonylContact C-O 3.6Å; E132-Y378 HydrophobicContact CG-CD1 4.21Å; E132-Y378 HydrophobicContact CG-CE1 3.84Å; E132-N379 PolarHBondContact O-ND2 3.42Å |
| 133 | T | 78.4 | Confident | 84.4 | Confident | 36 Ų | 36 | 26 Ų | 26 | 22% | 0.221 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -91.6 | -23.1 | 171.8 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | R136 Q376 L377 N379 | T133-R136 PolarHBondContact O-NH1 3.38Å; T133-R136 VanDerWaalsContact O-NH1 3.11Å; T133-R136 PolarHBondContact O-NH2 3.35Å; T133-Q376 PolarHBondContact OG1-O 3.26Å; T133-L377 WeakPolarHBondContact CB-O 3.49Å; T133-L377 WeakPolarHBondContact CG2-O 3.33Å; T133-L377 PolarHBondContact N-O 2.68Å; T133-L377 PolarHBondContact OG1-O 3.27Å; T133-N379 WeakPolarHBondContact CG2-OD1 3.3Å |
| 134 | I | 73.4 | Confident | 83.3 | Confident | 41 Ų | 41 | 26.1 Ų | 26.1 | 21% | 0.21 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -95 | -46.2 | -169 | -58.4 | 175.4 | 0 | 0 | 0 | 112.8 | R91 L377 D691 | R91-I134 PolarHBondContact NH1-O 3.14Å; R91-I134 PolarHBondContact NH2-O 2.63Å; I134-L377 HydrophobicContact CD1-CD2 4.07Å; I134-D691 HydrophobicContact CD1-CB 4.25Å; I134-D691 VanDerWaalsContact CD1-OD2 3.28Å; I134-D691 WeakPolarHBondContact CD1-OD2 3.31Å |
| 135 | S | 80.1 | Confident | 82.5 | Confident | 38 Ų | 38 | 28 Ų | 28 | 27% | 0.266 | 17% | 0.167 | S | C | . | . | trans | -98.1 | 143 | 178.7 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | E132 G137 | E132-S135 WeakPolarHBondContact OE2-CB 3.34Å; S135-G137 PolarHBondContact OG-N 3.22Å | ||
| 136 | R | 85.1 | Confident | 82.1 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | trans | -118.9 | 14.4 | 168 | -58.6 | -65.2 | -179.2 | -100.7 | 2.1 | 112 | D89 F130 E132 T133 I146 | D89-R136 IonicContact OD1-NH2 2.81Å; D89-R136 IonicContact OD2-CZ 2.63Å; D89-R136 IonicContact OD2-NE 3.95Å; D89-R136 PolarHBondContact OD2-NE 2.86Å; D89-R136 IonicContact OD2-NH2 3.14Å; D89-R136 PolarHBondContact OD2-NH2 2.91Å; F130-R136 HydrophobicContact CD1-CB 4.19Å; F130-R136 HydrophobicContact CE1-CB 4.16Å; F130-R136 WeakPolarHBondContact CE1-O 3.32Å; E132-R136 PolarHBondContact O-NH1 3.13Å; T133-R136 PolarHBondContact O-NH1 3.38Å; T133-R136 VanDerWaalsContact O-NH1 3.11Å; T133-R136 PolarHBondContact O-NH2 3.35Å; R136-I146 HydrophobicContact CB-CB 3.84Å; R136-I146 HydrophobicContact CB-CG2 3.67Å; R136-I146 WeakPolarHBondContact CB-O 3.46Å; R136-I146 WeakPolarHBondContact O-CD1 3.2Å | ||
| 137 | G | 81.2 | Confident | 81.9 | Confident | 30 Ų | 30 | 26.3 Ų | 26.3 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | trans | 87.5 | 179.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | S135 I146 | S135-G137 PolarHBondContact OG-N 3.22Å; G137-I146 PolarHBondContact O-N 3.39Å | ||
| 138 | N | 79.9 | Confident | 81.9 | Confident | 110 Ų | 110 | 26.3 Ų | 26.3 | 59% | 0.588 | 16% | 0.16 | S | C | * | . | B | Isolated β-bridge | trans | -98.6 | 158 | -178.2 | -60 | -20.9 | 0 | 0 | 0 | 110.7 | G144 | N138-G144 CarbonylContact C-O 3.58Å; N138-G144 VanDerWaalsContact CA-O 3.31Å; N138-G144 WeakPolarHBondContact CA-O 3.36Å; N138-G144 WeakPolarHBondContact CB-O 3.5Å |
| 139 | T | 81 | Confident | 82 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | trans | -142.1 | 164 | 176 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | D48 V57 V141 G144 I146 | D48-T139 WeakPolarHBondContact CB-OG1 3.45Å; D48-T139 VanDerWaalsContact OD2-CB 3.29Å; D48-T139 WeakPolarHBondContact OD2-CB 3.45Å; D48-T139 PolarHBondContact OD2-OG1 3.43Å; V57-T139 HydrophobicContact CG1-CG2 3.8Å; T139-V141 VanDerWaalsContact C-N 3.34Å; T139-V141 VanDerWaalsContact CG2-O 3.23Å; T139-V141 WeakPolarHBondContact CG2-O 3.28Å; T139-V141 PolarHBondContact OG1-N 2.96Å; T139-G144 PolarHBondContact N-O 3.05Å; T139-G144 CarbonylContact O-C 3.59Å; T139-G144 WeakPolarHBondContact O-CA 3.42Å; T139-G144 VanDerWaalsContact O-O 3.06Å; T139-I146 HydrophobicContact CG2-CG1 3.94Å | ||
| 140 | T | 73.5 | Confident | 82.2 | Confident | 96 Ų | 96 | 26 Ų | 26 | 59% | 0.589 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -95.1 | 6.3 | 172.4 | 62 | 0 | 0 | 0 | 0 | 111.9 | M671 A677 | T140-M671 WeakPolarHBondContact O-CE 3.34Å; T140-A677 WeakPolarHBondContact CG2-O 3.37Å |
| 141 | V | 75 | Confident | 82.5 | Confident | 46 Ų | 46 | 25.4 Ų | 25.4 | 28% | 0.279 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -110.4 | 136.2 | -175.2 | -169.6 | 0 | 0 | 0 | 0 | 110.1 | D48 N50 T139 K143 | D48-V141 HydrophobicContact CB-CB 4.48Å; D48-V141 HydrophobicContact CB-CG2 4.16Å; N50-V141 HydrophobicContact CB-CG1 3.76Å; T139-V141 VanDerWaalsContact C-N 3.34Å; T139-V141 VanDerWaalsContact CG2-O 3.23Å; T139-V141 WeakPolarHBondContact CG2-O 3.28Å; T139-V141 PolarHBondContact OG1-N 2.96Å; V141-K143 PolarHBondContact O-N 3.15Å |
| 142 | G | 75.8 | Confident | 83 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 12% | 0.124 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -123.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N50 G144 M671 | N50-G142 WeakPolarHBondContact ND2-CA 3.38Å; G142-G144 VanDerWaalsContact C-N 3.34Å; G142-G144 PolarHBondContact O-N 3.4Å; G142-M671 WeakPolarHBondContact O-CB 3.37Å; G142-M671 WeakPolarHBondContact O-CG 3.24Å |
| 143 | K | 74.6 | Confident | 83.7 | Confident | 18 Ų | 18 | 25.4 Ų | 25.4 | 8% | 0.078 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 15.1 | -173.9 | 67.9 | -175.4 | 178.8 | -162.8 | 0 | 115.4 | D55 V57 V141 S145 D147 N664 A667 | D55-K143 PolarHBondContact O-NZ 3.01Å; V57-K143 HydrophobicContact CG2-CG 4.31Å; V141-K143 PolarHBondContact O-N 3.15Å; K143-S145 VanDerWaalsContact C-N 3.25Å; K143-S145 PolarHBondContact O-N 2.89Å; K143-D147 WeakPolarHBondContact CE-OD1 3.22Å; K143-D147 WeakPolarHBondContact CE-OD2 3.21Å; K143-D147 IonicContact NZ-OD1 3.12Å; K143-D147 PolarHBondContact NZ-OD1 3.28Å; K143-D147 IonicContact NZ-OD2 3.75Å; K143-D147 PolarHBondContact NZ-OD2 3.17Å; K143-N664 HydrophobicContact CD-CB 4.29Å; K143-A667 HydrophobicContact CB-CB 4.21Å |
| 144 | G | 73.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 81.6 | -11.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N138 T139 G142 | N138-G144 CarbonylContact C-O 3.58Å; N138-G144 VanDerWaalsContact CA-O 3.31Å; N138-G144 WeakPolarHBondContact CA-O 3.36Å; N138-G144 WeakPolarHBondContact CB-O 3.5Å; T139-G144 PolarHBondContact N-O 3.05Å; T139-G144 CarbonylContact O-C 3.59Å; T139-G144 WeakPolarHBondContact O-CA 3.42Å; T139-G144 VanDerWaalsContact O-O 3.06Å; G142-G144 VanDerWaalsContact C-N 3.34Å; G142-G144 PolarHBondContact O-N 3.4Å |
| 145 | S | 80.2 | Confident | 85.2 | Confident | 39 Ų | 39 | 28.3 Ų | 28.3 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | B | Isolated β-bridge | trans | -129.3 | 147.4 | -177.8 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | V57 K143 | V57-S145 WeakPolarHBondContact CB-O 3.45Å; K143-S145 VanDerWaalsContact C-N 3.25Å; K143-S145 PolarHBondContact O-N 2.89Å |
| 146 | I | 87.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | trans | -91.8 | 127.3 | -179.5 | -58.6 | 164.8 | 0 | 0 | 0 | 108.7 | V57 R59 R136 G137 T139 C148 | V57-I146 HydrophobicContact CG1-CG1 4.49Å; R59-I146 HydrophobicContact CB-CD1 4.3Å; R59-I146 HydrophobicContact CB-CG2 4.06Å; R136-I146 HydrophobicContact CB-CB 3.84Å; R136-I146 HydrophobicContact CB-CG2 3.67Å; R136-I146 WeakPolarHBondContact CB-O 3.46Å; R136-I146 WeakPolarHBondContact O-CD1 3.2Å; G137-I146 PolarHBondContact O-N 3.39Å; T139-I146 HydrophobicContact CG2-CG1 3.94Å; I146-C148 VanDerWaalsContact CG2-O 3.23Å; I146-C148 WeakPolarHBondContact CG2-O 3.41Å | ||
| 147 | D | 88 | Confident | 86.2 | Confident | 15 Ų | 15 | 26.7 Ų | 26.7 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | trans | -85.5 | -44.2 | 177.7 | -66.6 | -81.1 | 0 | 0 | 0 | 111.7 | Q56 V57 R91 K143 | Q56-D147 VanDerWaalsContact CA-OD2 3.31Å; Q56-D147 WeakPolarHBondContact CA-OD2 3.23Å; V57-D147 PolarHBondContact N-OD2 2.93Å; V57-D147 PolarHBondContact O-N 3.07Å; R91-D147 PolarHBondContact NH1-O 3.26Å; K143-D147 WeakPolarHBondContact CE-OD1 3.22Å; K143-D147 WeakPolarHBondContact CE-OD2 3.21Å; K143-D147 IonicContact NZ-OD1 3.12Å; K143-D147 PolarHBondContact NZ-OD1 3.28Å; K143-D147 IonicContact NZ-OD2 3.75Å; K143-D147 PolarHBondContact NZ-OD2 3.17Å | ||
| 148 | C | 92.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 161.8 | -173 | -73.5 | 0 | 0 | 0 | 0 | 110.6 | V57 F58 R59 D89 I146 | V57-C148 PolarHBondContact O-N 2.9Å; F58-C148 VanDerWaalsContact CA-O 3.27Å; F58-C148 WeakPolarHBondContact CA-O 3.44Å; F58-C148 HydrophobicContact CD1-CB 3.62Å; F58-C148 HydrophobicContact CE1-CB 3.27Å; F58-C148 HydrophobicContact CE2-CB 4.26Å; F58-C148 HydrophobicContact CG-CB 4.26Å; F58-C148 HydrophobicContact CZ-CB 3.64Å; R59-C148 PolarHBondContact N-O 2.92Å; D89-C148 HydrophobicContact CB-CB 4.08Å; I146-C148 VanDerWaalsContact CG2-O 3.23Å; I146-C148 WeakPolarHBondContact CG2-O 3.41Å |
| 149 | F | 94.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 165.4 | 166 | 60.3 | -91 | 0 | 0 | 0 | 110.7 | R59 F61 D89 V125 F130 F151 | R59-F149 CarbonylContact O-C 3.57Å; R59-F149 WeakPolarHBondContact O-CA 3.31Å; R59-F149 WeakPolarHBondContact O-CB 3.41Å; F61-F149 HydrophobicContact CD2-CB 4.13Å; F61-F149 HydrophobicContact CE2-CB 3.85Å; D89-F149 HydrophobicContact CB-CD1 3.8Å; D89-F149 HydrophobicContact CB-CD2 4.19Å; D89-F149 HydrophobicContact CB-CE1 3.72Å; D89-F149 HydrophobicContact CB-CE2 4.1Å; D89-F149 HydrophobicContact CB-CG 4.04Å; D89-F149 HydrophobicContact CB-CZ 3.86Å; D89-F149 WeakPolarHBondContact CB-O 3.25Å; D89-F149 PolarHBondContact N-O 3.46Å; D89-F149 VanDerWaalsContact OD2-CD1 3.3Å; D89-F149 WeakPolarHBondContact OD2-CD1 3.27Å; D89-F149 WeakPolarHBondContact OD2-CE1 3.38Å; V125-F149 HydrophobicContact CG2-CE2 4Å; F130-F149 HydrophobicContact CB-CE1 4.13Å; F130-F149 AromaticContact CD2-CD1 3.31Å; F130-F149 HydrophobicContact CD2-CD1 3.31Å; F130-F149 AromaticContact CD2-CE1 3.42Å; F130-F149 HydrophobicContact CD2-CE1 3.42Å; F130-F149 VanDerWaalsContact CD2-CE1 3.42Å; F130-F149 AromaticContact CD2-CG 3.94Å; F130-F149 HydrophobicContact CD2-CG 3.94Å; F130-F149 HydrophobicContact CD2-CZ 4.14Å; F130-F149 HydrophobicContact CE2-CB 3.98Å; F130-F149 AromaticContact CE2-CD1 3.49Å; F130-F149 HydrophobicContact CE2-CD1 3.49Å; F130-F149 VanDerWaalsContact CE2-CD1 3.49Å; F130-F149 HydrophobicContact CE2-CD2 4.41Å; F130-F149 HydrophobicContact CE2-CE1 4.07Å; F130-F149 AromaticContact CE2-CG 3.69Å; F130-F149 HydrophobicContact CE2-CG 3.69Å; F130-F149 AromaticContact CG-CD1 3.97Å; F130-F149 HydrophobicContact CG-CD1 3.97Å; F130-F149 AromaticContact CG-CE1 3.97Å; F130-F149 HydrophobicContact CG-CE1 3.97Å; F130-F149 HydrophobicContact CZ-CB 4.37Å; F130-F149 HydrophobicContact CZ-CD1 4.25Å; F130-F149 HydrophobicContact CZ-CG 4.49Å; F149-F151 HydrophobicContact CD2-CD2 4.1Å; F149-F151 AromaticContact CD2-CE2 3.5Å; F149-F151 HydrophobicContact CD2-CE2 3.5Å; F149-F151 HydrophobicContact CD2-CZ 4.35Å; F149-F151 HydrophobicContact CE2-CD2 4.35Å; F149-F151 AromaticContact CE2-CE2 3.62Å; F149-F151 HydrophobicContact CE2-CE2 3.62Å |
| 150 | A | 96 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 161.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F58 R59 F61 I86 V87 L88 | F58-A150 HydrophobicContact CD1-CB 4.3Å; R59-A150 PolarHBondContact O-N 3.37Å; F61-A150 PolarHBondContact N-O 3.15Å; I86-A150 HydrophobicContact CD1-CB 3.81Å; I86-A150 HydrophobicContact CG1-CB 4.06Å; V87-A150 CarbonylContact O-C 3.54Å; V87-A150 VanDerWaalsContact O-CA 3.28Å; V87-A150 WeakPolarHBondContact O-CA 3.27Å; L88-A150 HydrophobicContact CD2-CB 3.65Å |
| 151 | F | 96.3 | Very high | 87.9 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.4 | 172.6 | -62.9 | -98.3 | 0 | 0 | 0 | 112.1 | F61 V72 V87 V125 F149 | F61-F151 HydrophobicContact CB-CD1 3.45Å; F61-F151 VanDerWaalsContact CB-CD1 3.45Å; F61-F151 HydrophobicContact CB-CE1 3.46Å; F61-F151 VanDerWaalsContact CB-CE1 3.46Å; F61-F151 HydrophobicContact CB-CG 4.22Å; F61-F151 HydrophobicContact CB-CZ 4.24Å; F61-F151 HydrophobicContact CD2-CE1 4.17Å; F61-F151 HydrophobicContact CD2-CZ 4.12Å; F61-F151 HydrophobicContact CG-CD1 4.4Å; F61-F151 AromaticContact CG-CE1 3.98Å; F61-F151 HydrophobicContact CG-CE1 3.98Å; F61-F151 HydrophobicContact CG-CZ 4.37Å; F61-F151 VanDerWaalsContact O-CA 3.31Å; F61-F151 WeakPolarHBondContact O-CA 3.5Å; V72-F151 HydrophobicContact CG1-CD2 4.38Å; V72-F151 HydrophobicContact CG1-CE1 4.28Å; V72-F151 HydrophobicContact CG1-CE2 3.6Å; V72-F151 HydrophobicContact CG1-CZ 3.55Å; V87-F151 HydrophobicContact CG1-CB 3.6Å; V87-F151 HydrophobicContact CG1-CD2 4.22Å; V87-F151 HydrophobicContact CG1-CG 4.36Å; V87-F151 PolarHBondContact N-O 3.39Å; V87-F151 VanDerWaalsContact N-O 3.11Å; V87-F151 PolarHBondContact O-N 2.85Å; V125-F151 HydrophobicContact CG2-CD2 4.07Å; V125-F151 HydrophobicContact CG2-CE2 4.24Å; F149-F151 HydrophobicContact CD2-CD2 4.1Å; F149-F151 AromaticContact CD2-CE2 3.5Å; F149-F151 HydrophobicContact CD2-CE2 3.5Å; F149-F151 HydrophobicContact CD2-CZ 4.35Å; F149-F151 HydrophobicContact CE2-CD2 4.35Å; F149-F151 AromaticContact CE2-CE2 3.62Å; F149-F151 HydrophobicContact CE2-CE2 3.62Å |
| 152 | I | 95.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 164.6 | 172.8 | 63.4 | 178.9 | 0 | 0 | 0 | 109.8 | I60 F61 S62 Y63 I86 F114 F119 F157 | I60-I152 HydrophobicContact CG2-CD1 3.71Å; I60-I152 HydrophobicContact CG2-CG1 3.77Å; I60-I152 HydrophobicContact CG2-CG2 4.34Å; F61-I152 PolarHBondContact O-N 3.38Å; S62-I152 CarbonylContact C-O 3.5Å; S62-I152 VanDerWaalsContact CA-O 3.3Å; S62-I152 WeakPolarHBondContact CA-O 3.21Å; Y63-I152 PolarHBondContact N-O 3.26Å; I86-I152 HydrophobicContact CB-CG2 3.88Å; I86-I152 HydrophobicContact CD1-CG2 3.69Å; I86-I152 HydrophobicContact CG1-CG2 3.56Å; F114-I152 HydrophobicContact CD1-CD1 3.82Å; F114-I152 HydrophobicContact CE1-CD1 3.84Å; F119-I152 HydrophobicContact CD1-CG2 4.11Å; F119-I152 HydrophobicContact CE1-CB 4.35Å; F119-I152 HydrophobicContact CE1-CD1 4.42Å; F119-I152 HydrophobicContact CE1-CG2 3.96Å; F119-I152 HydrophobicContact CZ-CD1 4.05Å; F119-I152 HydrophobicContact CZ-CG2 4.31Å; I152-F157 HydrophobicContact CD1-CD2 4.21Å; I152-F157 HydrophobicContact CD1-CE2 3.72Å; I152-F157 HydrophobicContact CD1-CZ 4.12Å; I152-F157 HydrophobicContact CG1-CD2 4.25Å; I152-F157 HydrophobicContact CG1-CE2 3.51Å; I152-F157 HydrophobicContact CG1-CZ 4.13Å |
| 153 | L | 95.5 | Very high | 89.6 | Confident | 22 Ų | 22 | 32.6 Ų | 32.6 | 12% | 0.115 | 16% | 0.162 | C | C | . | . | trans | -66.4 | 146.5 | 177.5 | -64.3 | -176.3 | 0 | 0 | 0 | 112.2 | Y63 E155 S156 | Y63-L153 HydrophobicContact CD1-CD2 4.23Å; Y63-L153 WeakPolarHBondContact O-CD2 3.3Å; L153-E155 HydrophobicContact CB-CG 3.81Å; L153-E155 HydrophobicContact CD1-CG 4.38Å; L153-E155 PolarHBondContact O-N 3.33Å; L153-E155 VanDerWaalsContact O-N 3.15Å; L153-S156 WeakPolarHBondContact O-CB 3.47Å; L153-S156 PolarHBondContact O-N 3.04Å | ||
| 154 | P | 92.4 | Very high | 90.5 | Very high | 38 Ų | 38 | 31.7 Ų | 31.7 | 25% | 0.247 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -53.8 | -34.2 | 177.6 | -22.7 | 25 | 0 | 0 | 0 | 113.6 | Y45 Y63 D64 S156 F157 | Y45-P154 HydrophobicContact CD2-CB 4.38Å; Y45-P154 HydrophobicContact CE2-CB 4.37Å; Y63-P154 WeakPolarHBondContact O-CD 3.28Å; D64-P154 HydrophobicContact CB-CG 3.95Å; P154-S156 PolarHBondContact O-N 3.19Å; P154-S156 VanDerWaalsContact O-N 3.12Å; P154-F157 PolarHBondContact O-N 3.4Å |
| 155 | E | 91.3 | Very high | 91.5 | Very high | 101 Ų | 101 | 31.6 Ų | 31.6 | 47% | 0.472 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -62.2 | -18.2 | 179.4 | 61.6 | -178.5 | -148.4 | 0 | 0 | 114.1 | S83 K115 L153 | S83-E155 WeakPolarHBondContact CB-OE1 3.3Å; S83-E155 PolarHBondContact N-OE1 3.3Å; S83-E155 PolarHBondContact OG-OE1 3.5Å; K115-E155 VanDerWaalsContact CD-O 3.26Å; K115-E155 WeakPolarHBondContact CD-O 3.27Å; K115-E155 WeakPolarHBondContact CE-O 3.45Å; K115-E155 PolarHBondContact NZ-O 3.03Å; L153-E155 HydrophobicContact CB-CG 3.81Å; L153-E155 HydrophobicContact CD1-CG 4.38Å; L153-E155 PolarHBondContact O-N 3.33Å; L153-E155 VanDerWaalsContact O-N 3.15Å |
| 156 | S | 92.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -79.7 | -15.6 | 176.7 | -62 | 0 | 0 | 0 | 0 | 113.4 | S83 F114 K115 L153 P154 | S83-S156 WeakPolarHBondContact CB-OG 3.44Å; F114-S156 CarbonylContact C-O 3.59Å; F114-S156 WeakPolarHBondContact CA-O 3.48Å; K115-S156 PolarHBondContact N-O 3.29Å; L153-S156 WeakPolarHBondContact O-CB 3.47Å; L153-S156 PolarHBondContact O-N 3.04Å; P154-S156 PolarHBondContact O-N 3.19Å; P154-S156 VanDerWaalsContact O-N 3.12Å |
| 157 | F | 92.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -82.3 | 147.4 | 174.9 | -70.8 | -98.8 | 0 | 0 | 0 | 111.1 | Y45 Q47 I60 H113 F114 K115 I152 P154 | Y45-F157 HydrophobicContact CG-CB 4.48Å; Y45-F157 HydrophobicContact CG-CD1 4.49Å; Y45-F157 HydrophobicContact CG-CG 4.29Å; Q47-F157 HydrophobicContact CB-CE1 4.22Å; I60-F157 HydrophobicContact CG2-CZ 4.12Å; H113-F157 WeakPolarHBondContact O-CA 3.46Å; F114-F157 HydrophobicContact CD1-CD1 4.21Å; F114-F157 HydrophobicContact CD1-CE1 4.28Å; F114-F157 AromaticContact CE1-CD1 3.89Å; F114-F157 HydrophobicContact CE1-CD1 3.89Å; F114-F157 AromaticContact CE1-CE1 3.53Å; F114-F157 HydrophobicContact CE1-CE1 3.53Å; F114-F157 AromaticContact CE1-CZ 3.91Å; F114-F157 HydrophobicContact CE1-CZ 3.91Å; F114-F157 HydrophobicContact CZ-CE1 4.29Å; K115-F157 WeakPolarHBondContact CE-O 3.25Å; I152-F157 HydrophobicContact CD1-CD2 4.21Å; I152-F157 HydrophobicContact CD1-CE2 3.72Å; I152-F157 HydrophobicContact CD1-CZ 4.12Å; I152-F157 HydrophobicContact CG1-CD2 4.25Å; I152-F157 HydrophobicContact CG1-CE2 3.51Å; I152-F157 HydrophobicContact CG1-CZ 4.13Å; P154-F157 PolarHBondContact O-N 3.4Å |
| 158 | T | 89.5 | Confident | 93 | Very high | 59 Ų | 59 | 30 Ų | 30 | 36% | 0.362 | 15% | 0.148 | S | C | . | . | trans | -95.5 | -15.5 | 172.9 | 56 | 0 | 0 | 0 | 0 | 112.9 | K112 H113 K115 | K112-T158 PolarHBondContact O-OG1 3.33Å; H113-T158 WeakPolarHBondContact CA-OG1 3.38Å; H113-T158 PolarHBondContact O-N 2.88Å; H113-T158 PolarHBondContact O-OG1 3.05Å; K115-T158 HydrophobicContact CG-CG2 3.81Å | ||
| 159 | Q | 86 | Confident | 93 | Very high | 43 Ų | 43 | 30.2 Ų | 30.2 | 20% | 0.201 | 15% | 0.149 | C | C | . | . | trans | -62.9 | 135.1 | -175.9 | -65.7 | 173.1 | -11.5 | 0 | 0 | 111.3 | Y45 Q47 S163 | Y45-Q159 HydrophobicContact CD1-CB 4.08Å; Y45-Q159 HydrophobicContact CE1-CB 4.16Å; Q47-Q159 VanDerWaalsContact OE1-NE2 3.14Å; Q159-S163 PolarHBondContact OE1-OG 3.43Å | ||
| 160 | K | 85.5 | Confident | 92.9 | Very high | 174 Ų | 174 | 37 Ų | 37 | 76% | 0.757 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -79.8 | -28.2 | 177.5 | -66.3 | -176.1 | -179.1 | -179.9 | 0 | 113.2 | ||
| 161 | F | 90.2 | Very high | 92.6 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 32% | 0.316 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -114.9 | 141.8 | -174.5 | -49.7 | -56.9 | 0 | 0 | 0 | 110.2 | I25 T26 Y45 | I25-F161 CarbonylContact O-C 3.56Å; T26-F161 HydrophobicContact CG2-CD1 3.62Å; T26-F161 HydrophobicContact CG2-CE1 3.75Å; Y45-F161 WeakPolarHBondContact CD1-O 3.27Å; Y45-F161 VanDerWaalsContact CE1-C 3.43Å; Y45-F161 WeakPolarHBondContact CE1-O 3.38Å |
| 162 | Y | 93.9 | Very high | 92.3 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 139.8 | 174.9 | -62.4 | -75.7 | 0 | 0 | 0 | 110.3 | G24 I25 A27 I30 G43 Y45 E164 | G24-Y162 CarbonylContact C-O 3.53Å; G24-Y162 WeakPolarHBondContact CA-O 3.19Å; I25-Y162 PolarHBondContact N-O 2.96Å; I25-Y162 WeakPolarHBondContact O-CB 3.46Å; I25-Y162 WeakPolarHBondContact O-CD2 3.43Å; I25-Y162 PolarHBondContact O-N 3.31Å; A27-Y162 HydrophobicContact CB-CE2 4.21Å; I30-Y162 HydrophobicContact CD1-CD2 3.24Å; I30-Y162 HydrophobicContact CD1-CE2 3.43Å; I30-Y162 VanDerWaalsContact CD1-CE2 3.43Å; I30-Y162 HydrophobicContact CD1-CG 4.04Å; G43-Y162 WeakPolarHBondContact O-CE1 3.34Å; Y45-Y162 HydrophobicContact CD1-CD1 4.22Å; Y45-Y162 AromaticContact CD2-CD1 3.79Å; Y45-Y162 HydrophobicContact CD2-CD1 3.79Å; Y45-Y162 AromaticContact CD2-CE1 3.98Å; Y45-Y162 HydrophobicContact CD2-CE1 3.98Å; Y45-Y162 AromaticContact CE1-CD1 3.89Å; Y45-Y162 HydrophobicContact CE1-CD1 3.89Å; Y45-Y162 HydrophobicContact CE1-CE1 4.41Å; Y45-Y162 HydrophobicContact CE1-CG 4.31Å; Y45-Y162 AromaticContact CE2-CD1 3.41Å; Y45-Y162 HydrophobicContact CE2-CD1 3.41Å; Y45-Y162 VanDerWaalsContact CE2-CD1 3.41Å; Y45-Y162 AromaticContact CE2-CE1 3.27Å; Y45-Y162 HydrophobicContact CE2-CE1 3.27Å; Y45-Y162 HydrophobicContact CE2-CG 4.49Å; Y45-Y162 HydrophobicContact CG-CD1 4.18Å; Y45-Y162 AromaticContact CZ-CD1 3.45Å; Y45-Y162 VanDerWaalsContact CZ-CD1 3.45Å; Y45-Y162 AromaticContact CZ-CE1 3.53Å; Y162-E164 VanDerWaalsContact C-N 3.29Å |
| 163 | S | 93 | Very high | 91.7 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -30.1 | 176.8 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | R44 F46 Q159 | R44-S163 PolarHBondContact O-N 3.18Å; F46-S163 VanDerWaalsContact CE1-CB 3.41Å; F46-S163 PolarHBondContact N-OG 3.21Å; F46-S163 PolarHBondContact O-OG 3.43Å; Q159-S163 PolarHBondContact OE1-OG 3.43Å |
| 164 | E | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 166 | 178.2 | 66.3 | -172.8 | 162 | 0 | 0 | 112.8 | R18 V19 V20 R44 F46 Y162 | R18-E164 IonicContact CZ-OE2 3.9Å; R18-E164 IonicContact NE-OE2 2.93Å; R18-E164 PolarHBondContact NE-OE2 2.96Å; R18-E164 IonicContact NH2-OE1 3.63Å; R18-E164 IonicContact NH2-OE2 3.64Å; R18-E164 PolarHBondContact NH2-OE2 3.38Å; V19-E164 CarbonylContact O-C 3.44Å; V19-E164 VanDerWaalsContact O-CA 3.24Å; V19-E164 WeakPolarHBondContact O-CA 3.28Å; V19-E164 WeakPolarHBondContact O-CB 3.26Å; V20-E164 HydrophobicContact CG2-CB 4.24Å; R44-E164 HydrophobicContact CB-CG 4.05Å; R44-E164 IonicContact CZ-OE1 3.37Å; R44-E164 PolarHBondContact N-O 3.44Å; R44-E164 IonicContact NE-OE1 2.81Å; R44-E164 PolarHBondContact NE-OE1 3.39Å; R44-E164 IonicContact NH2-OE1 2.79Å; R44-E164 PolarHBondContact NH2-OE1 3.19Å; R44-E164 PolarHBondContact O-N 2.87Å; F46-E164 HydrophobicContact CD1-CB 4.49Å; F46-E164 HydrophobicContact CD1-CG 4.07Å; F46-E164 HydrophobicContact CE1-CB 4.16Å; F46-E164 HydrophobicContact CE1-CG 4.22Å; Y162-E164 VanDerWaalsContact C-N 3.29Å |
| 165 | A | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V19 I25 I30 E42 I167 | V19-A165 HydrophobicContact CB-CB 4.29Å; V19-A165 PolarHBondContact N-O 2.76Å; V19-A165 PolarHBondContact O-N 2.93Å; I25-A165 HydrophobicContact CD1-CB 3.71Å; I30-A165 HydrophobicContact CG1-CB 4.49Å; E42-A165 WeakPolarHBondContact O-CA 3.34Å; A165-I167 HydrophobicContact CB-CD1 4.24Å |
| 166 | L | 96 | Very high | 90.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.6 | 176 | -57.5 | 179.9 | 0 | 0 | 0 | 108.6 | A15 R18 A41 E42 R44 L69 N70 | A15-L166 HydrophobicContact CB-CB 4.01Å; A15-L166 HydrophobicContact CB-CD2 4.35Å; R18-L166 HydrophobicContact CG-CD2 3.9Å; A41-L166 CarbonylContact C-O 3.59Å; A41-L166 WeakPolarHBondContact CA-O 3.13Å; E42-L166 PolarHBondContact N-O 2.94Å; E42-L166 PolarHBondContact O-N 2.71Å; R44-L166 HydrophobicContact CB-CD1 4.49Å; L69-L166 HydrophobicContact CB-CB 4.4Å; L69-L166 HydrophobicContact CB-CD1 4.39Å; L69-L166 HydrophobicContact CD1-CB 3.87Å; L69-L166 WeakPolarHBondContact CD1-O 3.47Å; N70-L166 HydrophobicContact CB-CD1 4.35Å; N70-L166 WeakPolarHBondContact ND2-CD1 3.44Å; N70-L166 WeakPolarHBondContact ND2-CD2 3.46Å |
| 167 | I | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.5 | -173.9 | -51.7 | -57.8 | 0 | 0 | 0 | 110 | A15 D16 T17 V19 I33 I39 K40 A41 A165 Y169 L193 | A15-I167 CarbonylContact C-O 3.53Å; D16-I167 PolarHBondContact N-O 3.48Å; T17-I167 PolarHBondContact N-O 3Å; T17-I167 WeakPolarHBondContact O-CB 3.33Å; T17-I167 PolarHBondContact O-N 3.08Å; V19-I167 HydrophobicContact CG2-CD1 4.4Å; V19-I167 HydrophobicContact CG2-CG1 3.76Å; I33-I167 HydrophobicContact CG2-CD1 3.66Å; I39-I167 HydrophobicContact CG2-CG2 3.73Å; K40-I167 WeakPolarHBondContact O-CA 3.35Å; A41-I167 HydrophobicContact CB-CD1 3.41Å; A41-I167 VanDerWaalsContact CB-CD1 3.41Å; A165-I167 HydrophobicContact CB-CD1 4.24Å; I167-Y169 HydrophobicContact CG2-CE1 4.13Å; I167-Y169 HydrophobicContact CG2-CE2 4.09Å; I167-L193 HydrophobicContact CG1-CD2 4.22Å; I167-L193 HydrophobicContact CG2-CD2 4.34Å |
| 168 | S | 94.7 | Very high | 90.4 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.3 | 166.3 | -176 | 0 | 0 | 0 | 0 | 111.4 | D16 K40 | D16-S168 WeakPolarHBondContact OD2-CA 3.4Å; D16-S168 WeakPolarHBondContact OD2-CB 3.5Å; D16-S168 PolarHBondContact OD2-OG 3.47Å; K40-S168 PolarHBondContact N-O 3.33Å; K40-S168 PolarHBondContact O-N 3.01Å |
| 169 | Y | 94.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127 | -178.5 | -53.9 | -88 | 0 | 0 | 0 | 110.4 | D16 T17 I39 I167 D171 L172 E173 L186 D189 | D16-Y169 HydrophobicContact CB-CD2 3.63Å; D16-Y169 HydrophobicContact CB-CE2 3.94Å; D16-Y169 PolarHBondContact OD2-N 3.3Å; T17-Y169 PolarHBondContact OG1-OH 2.8Å; I39-Y169 HydrophobicContact CD1-CD1 4.05Å; I39-Y169 HydrophobicContact CD1-CE1 3.6Å; I39-Y169 HydrophobicContact CG1-CD1 3.8Å; I39-Y169 HydrophobicContact CG1-CE1 3.9Å; I167-Y169 HydrophobicContact CG2-CE1 4.13Å; I167-Y169 HydrophobicContact CG2-CE2 4.09Å; Y169-D171 VanDerWaalsContact C-N 3.26Å; Y169-D171 VanDerWaalsContact CB-OD1 3.31Å; Y169-D171 WeakPolarHBondContact CB-OD1 3Å; Y169-D171 PolarHBondContact O-N 3.26Å; Y169-L172 HydrophobicContact CD2-CD1 3.8Å; Y169-L172 HydrophobicContact CG-CD1 4.26Å; Y169-L172 PolarHBondContact O-N 3.47Å; Y169-E173 PolarHBondContact O-N 2.93Å; Y169-L186 HydrophobicContact CD2-CD1 4.08Å; Y169-L186 HydrophobicContact CE2-CD1 3.67Å; Y169-D189 HydrophobicContact CD1-CB 3.58Å; Y169-D189 HydrophobicContact CD2-CB 4.39Å; Y169-D189 HydrophobicContact CE1-CB 3.39Å; Y169-D189 HydrophobicContact CE2-CB 4.24Å; Y169-D189 HydrophobicContact CG-CB 4.09Å |
| 170 | K | 91 | Very high | 90.4 | Very high | 141 Ų | 141 | 51.9 Ų | 51.9 | 61% | 0.613 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.8 | -175.7 | -71.6 | -179.2 | -166.7 | 169.2 | 0 | 113.3 | G38 L172 | G38-K170 WeakPolarHBondContact O-CB 3.47Å; G38-K170 WeakPolarHBondContact O-CG 3.43Å; G38-K170 PolarHBondContact O-N 3.15Å; K170-L172 VanDerWaalsContact C-N 3.27Å; K170-L172 PolarHBondContact O-N 3.26Å |
| 171 | D | 89.5 | Confident | 90.5 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -18.8 | 178 | 76.3 | -54.3 | 0 | 0 | 0 | 112.8 | Y169 R185 | Y169-D171 VanDerWaalsContact C-N 3.26Å; Y169-D171 VanDerWaalsContact CB-OD1 3.31Å; Y169-D171 WeakPolarHBondContact CB-OD1 3Å; Y169-D171 PolarHBondContact O-N 3.26Å; D171-R185 PolarHBondContact O-NH1 3.31Å |
| 172 | L | 90.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -14 | 176.4 | -61.7 | -175.2 | 0 | 0 | 0 | 113.8 | D16 Y169 K170 K174 S175 Y182 R185 L186 | D16-L172 HydrophobicContact CB-CD1 4.29Å; Y169-L172 HydrophobicContact CD2-CD1 3.8Å; Y169-L172 HydrophobicContact CG-CD1 4.26Å; Y169-L172 PolarHBondContact O-N 3.47Å; K170-L172 VanDerWaalsContact C-N 3.27Å; K170-L172 PolarHBondContact O-N 3.26Å; L172-K174 VanDerWaalsContact C-N 3.25Å; L172-K174 PolarHBondContact O-N 2.93Å; L172-K174 VanDerWaalsContact O-N 3.14Å; L172-S175 WeakPolarHBondContact O-CA 3.4Å; L172-S175 VanDerWaalsContact O-CB 3.3Å; L172-S175 WeakPolarHBondContact O-CB 3.34Å; L172-S175 PolarHBondContact O-N 3.09Å; L172-Y182 HydrophobicContact CB-CD2 4.27Å; L172-Y182 HydrophobicContact CB-CE2 4.12Å; L172-Y182 HydrophobicContact CD1-CD2 4.29Å; L172-Y182 HydrophobicContact CD1-CE2 3.89Å; L172-Y182 HydrophobicContact CD2-CD2 4.02Å; L172-Y182 HydrophobicContact CD2-CE2 4.43Å; L172-Y182 HydrophobicContact CG-CD2 4.44Å; L172-Y182 HydrophobicContact CG-CE2 4.39Å; L172-R185 HydrophobicContact CD2-CB 3.54Å; L172-R185 HydrophobicContact CD2-CG 4.46Å; L172-L186 HydrophobicContact CD1-CB 4.07Å; L172-L186 HydrophobicContact CD1-CD1 3.97Å |
| 173 | E | 84.3 | Confident | 90.4 | Very high | 135 Ų | 135 | 45.3 Ų | 45.3 | 63% | 0.631 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -37.8 | -174.9 | -169.6 | 179.2 | -170.2 | 0 | 0 | 113.3 | Y169 | Y169-E173 PolarHBondContact O-N 2.93Š|
| 174 | K | 83.2 | Confident | 90.2 | Very high | 199 Ų | 199 | 51.6 Ų | 51.6 | 87% | 0.865 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -6.8 | 177.4 | -63.6 | -178.2 | -177.6 | 175.5 | 0 | 113.7 | L172 | L172-K174 VanDerWaalsContact C-N 3.25Å; L172-K174 PolarHBondContact O-N 2.93Å; L172-K174 VanDerWaalsContact O-N 3.14Å |
| 175 | S | 86.9 | Confident | 90.1 | Very high | 15 Ų | 15 | 56 Ų | 56 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -79.2 | 138.5 | -178.4 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | Q10 L172 | Q10-S175 PolarHBondContact NE2-O 3.23Å; Q10-S175 VanDerWaalsContact NE2-O 3.17Å; L172-S175 WeakPolarHBondContact O-CA 3.4Å; L172-S175 VanDerWaalsContact O-CB 3.3Å; L172-S175 WeakPolarHBondContact O-CB 3.34Å; L172-S175 PolarHBondContact O-N 3.09Å |
| 176 | S | 87.8 | Confident | 90 | Very high | 61 Ų | 61 | 56.1 Ų | 56.1 | 43% | 0.427 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 129.3 | 173.7 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | S6 S179 Y182 | S6-S176 WeakPolarHBondContact OG-CA 3.18Å; S176-S179 VanDerWaalsContact O-CB 3.31Å; S176-S179 WeakPolarHBondContact O-CB 3.28Å; S176-S179 PolarHBondContact O-N 3.01Å; S176-S179 PolarHBondContact O-OG 3.43Å; S176-S179 WeakPolarHBondContact OG-CB 3.39Å; S176-S179 PolarHBondContact OG-OG 3.32Å; S176-Y182 WeakPolarHBondContact O-CB 3.4Å |
| 177 | A | 88.5 | Confident | 89.7 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 152.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S6 Y9 S179 Y282 | S6-A177 PolarHBondContact OG-N 2.86Å; Y9-A177 HydrophobicContact CD2-CB 3.82Å; Y9-A177 HydrophobicContact CE2-CB 4.37Å; A177-S179 PolarHBondContact O-N 3.2Å; A177-S179 VanDerWaalsContact O-N 3.09Å; A177-Y282 HydrophobicContact CB-CE2 4.4Å |
| 178 | Y | 89 | Confident | 89.5 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | -6.9 | -176 | -48.5 | -74 | 0 | 0 | 0 | 116.8 | L2 A5 Y9 Y282 F285 K286 | L2-Y178 HydrophobicContact CB-CD2 4.25Å; L2-Y178 HydrophobicContact CD2-CD1 4.39Å; L2-Y178 HydrophobicContact CD2-CD2 3.74Å; L2-Y178 HydrophobicContact CD2-CE2 4.09Å; L2-Y178 HydrophobicContact CD2-CG 3.88Å; A5-Y178 HydrophobicContact CB-CE2 3.77Å; Y9-Y178 AromaticContact CE2-CE2 3.67Å; Y9-Y178 HydrophobicContact CE2-CE2 3.67Å; Y9-Y178 AromaticContact CE2-CZ 3.79Å; Y9-Y178 WeakPolarHBondContact CE2-OH 3.5Å; Y9-Y178 PolarHBondContact OH-OH 2.87Å; Y178-Y282 HydrophobicContact CD1-CD1 4.25Å; Y178-Y282 AromaticContact CD1-CE1 3.55Å; Y178-Y282 HydrophobicContact CD1-CE1 3.55Å; Y178-Y282 HydrophobicContact CD1-CE2 4.03Å; Y178-Y282 AromaticContact CD1-CZ 3.41Å; Y178-Y282 VanDerWaalsContact CD1-CZ 3.41Å; Y178-Y282 WeakPolarHBondContact CD1-OH 3.3Å; Y178-Y282 AromaticContact CE1-CD1 3.57Å; Y178-Y282 HydrophobicContact CE1-CD1 3.57Å; Y178-Y282 AromaticContact CE1-CD2 3.7Å; Y178-Y282 HydrophobicContact CE1-CD2 3.7Å; Y178-Y282 AromaticContact CE1-CE1 3.29Å; Y178-Y282 HydrophobicContact CE1-CE1 3.29Å; Y178-Y282 AromaticContact CE1-CE2 3.41Å; Y178-Y282 HydrophobicContact CE1-CE2 3.41Å; Y178-Y282 VanDerWaalsContact CE1-CE2 3.41Å; Y178-Y282 AromaticContact CE1-CG 3.79Å; Y178-Y282 HydrophobicContact CE1-CG 3.79Å; Y178-Y282 AromaticContact CE1-CZ 3.21Å; Y178-Y282 WeakPolarHBondContact CE1-O 3.43Å; Y178-Y282 HydrophobicContact CE2-CE2 4.05Å; Y178-Y282 AromaticContact CZ-CD2 3.64Å; Y178-Y282 AromaticContact CZ-CE2 3.43Å; Y178-Y282 VanDerWaalsContact CZ-CE2 3.43Å; Y178-Y282 AromaticContact CZ-CZ 3.74Å; Y178-Y282 PolarHBondContact N-OH 2.86Å; Y178-Y282 VanDerWaalsContact N-OH 3.13Å; Y178-Y282 WeakPolarHBondContact OH-CD2 3.37Å; Y178-Y282 PolarHBondContact OH-O 3.4Å; Y178-F285 HydrophobicContact CE2-CD1 4.37Å; Y178-K286 HydrophobicContact CD1-CB 3.67Å; Y178-K286 HydrophobicContact CD1-CD 3.92Å; Y178-K286 HydrophobicContact CD1-CG 3.88Å; Y178-K286 HydrophobicContact CE1-CB 3.72Å; Y178-K286 HydrophobicContact CE1-CG 4.43Å |
| 179 | S | 89.1 | Confident | 89.4 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | trans | -72.3 | 143.7 | 177 | 69.9 | 0 | 0 | 0 | 0 | 111 | S176 A177 Q181 Y182 E183 | S176-S179 VanDerWaalsContact O-CB 3.31Å; S176-S179 WeakPolarHBondContact O-CB 3.28Å; S176-S179 PolarHBondContact O-N 3.01Å; S176-S179 PolarHBondContact O-OG 3.43Å; S176-S179 WeakPolarHBondContact OG-CB 3.39Å; S176-S179 PolarHBondContact OG-OG 3.32Å; A177-S179 PolarHBondContact O-N 3.2Å; A177-S179 VanDerWaalsContact O-N 3.09Å; S179-Q181 PolarHBondContact O-N 3.43Å; S179-Q181 VanDerWaalsContact O-N 3.14Å; S179-Y182 WeakPolarHBondContact O-CB 3.29Å; S179-Y182 PolarHBondContact O-N 3.4Å; S179-Y182 VanDerWaalsContact OG-CB 3.23Å; S179-Y182 WeakPolarHBondContact OG-CB 3.3Å; S179-Y182 PolarHBondContact OG-N 2.73Å; S179-E183 PolarHBondContact O-N 3.37Å | ||
| 180 | G | 85.8 | Confident | 89.3 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.1 | -28.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K184 | G180-K184 WeakPolarHBondContact O-CB 3.19Å; G180-K184 PolarHBondContact O-N 2.85Å; G180-K184 VanDerWaalsContact O-N 3.11Å |
| 181 | Q | 88.7 | Confident | 89.3 | Confident | 116 Ų | 116 | 67.9 Ų | 67.9 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.5 | -44.4 | 173.7 | -176 | 176.5 | 4.7 | 0 | 0 | 112.1 | S179 R185 | S179-Q181 PolarHBondContact O-N 3.43Å; S179-Q181 VanDerWaalsContact O-N 3.14Å; Q181-R185 WeakPolarHBondContact O-CG 3.37Å; Q181-R185 PolarHBondContact O-N 2.95Å; Q181-R185 VanDerWaalsContact O-N 3.12Å |
| 182 | Y | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.1 | -52.6 | 175.9 | 170.7 | -89 | 0 | 0 | 0 | 111 | D16 L172 S176 S179 K184 R185 L186 R276 | D16-Y182 PolarHBondContact OD1-OH 3.31Å; D16-Y182 VanDerWaalsContact OD1-OH 3.11Å; L172-Y182 HydrophobicContact CB-CD2 4.27Å; L172-Y182 HydrophobicContact CB-CE2 4.12Å; L172-Y182 HydrophobicContact CD1-CD2 4.29Å; L172-Y182 HydrophobicContact CD1-CE2 3.89Å; L172-Y182 HydrophobicContact CD2-CD2 4.02Å; L172-Y182 HydrophobicContact CD2-CE2 4.43Å; L172-Y182 HydrophobicContact CG-CD2 4.44Å; L172-Y182 HydrophobicContact CG-CE2 4.39Å; S176-Y182 WeakPolarHBondContact O-CB 3.4Å; S179-Y182 WeakPolarHBondContact O-CB 3.29Å; S179-Y182 PolarHBondContact O-N 3.4Å; S179-Y182 VanDerWaalsContact OG-CB 3.23Å; S179-Y182 WeakPolarHBondContact OG-CB 3.3Å; S179-Y182 PolarHBondContact OG-N 2.73Å; Y182-K184 VanDerWaalsContact C-N 3.31Å; Y182-K184 PolarHBondContact O-N 2.98Å; Y182-R185 PolarHBondContact O-N 3.18Å; Y182-L186 HydrophobicContact CE1-CD2 3.89Å; Y182-L186 WeakPolarHBondContact O-CB 3.39Å; Y182-L186 PolarHBondContact O-N 3.36Å; Y182-R276 PolarHBondContact OH-NE 3.47Å; Y182-R276 PolarHBondContact OH-NH1 3.42Å |
| 183 | E | 90 | Very high | 89.4 | Confident | 48 Ų | 48 | 69.9 Ų | 69.9 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | -176.9 | -61.1 | -60 | 158.4 | 0 | 0 | 112.1 | S179 K187 Y282 | S179-E183 PolarHBondContact O-N 3.37Å; E183-K187 WeakPolarHBondContact O-CB 3.41Å; E183-K187 PolarHBondContact O-N 2.92Å; E183-K187 VanDerWaalsContact O-N 3.14Å; E183-Y282 PolarHBondContact OE1-OH 3.37Å |
| 184 | K | 89.5 | Confident | 89.6 | Confident | 152 Ų | 152 | 68.9 Ų | 68.9 | 66% | 0.661 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.4 | -40.9 | 177 | -174.6 | 176.5 | -180 | 179.7 | 0 | 112.4 | G180 Y182 N188 | G180-K184 WeakPolarHBondContact O-CB 3.19Å; G180-K184 PolarHBondContact O-N 2.85Å; G180-K184 VanDerWaalsContact O-N 3.11Å; Y182-K184 VanDerWaalsContact C-N 3.31Å; Y182-K184 PolarHBondContact O-N 2.98Å; K184-N188 PolarHBondContact O-N 3.4Å |
| 185 | R | 91.4 | Very high | 89.9 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 35% | 0.351 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69 | -50.2 | 177.6 | -75.9 | 179.9 | -179.3 | -175.7 | -3.6 | 111 | D171 L172 Q181 Y182 K187 N188 D189 | D171-R185 PolarHBondContact O-NH1 3.31Å; L172-R185 HydrophobicContact CD2-CB 3.54Å; L172-R185 HydrophobicContact CD2-CG 4.46Å; Q181-R185 WeakPolarHBondContact O-CG 3.37Å; Q181-R185 PolarHBondContact O-N 2.95Å; Q181-R185 VanDerWaalsContact O-N 3.12Å; Y182-R185 PolarHBondContact O-N 3.18Å; R185-K187 PolarHBondContact O-N 3.42Å; R185-K187 VanDerWaalsContact O-N 3.11Å; R185-N188 WeakPolarHBondContact O-CA 3.11Å; R185-N188 WeakPolarHBondContact O-CB 3.41Å; R185-N188 PolarHBondContact O-N 2.94Å; R185-D189 VanDerWaalsContact C-OD2 3.27Å; R185-D189 VanDerWaalsContact O-CG 3.25Å; R185-D189 PolarHBondContact O-N 3.49Å; R185-D189 VanDerWaalsContact O-OD2 3.05Å |
| 186 | L | 92.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -50 | -44.1 | 176 | -179.7 | 61.5 | 0 | 0 | 0 | 112.3 | D16 Y169 L172 Y182 N188 D189 Q190 A275 | D16-L186 HydrophobicContact CB-CD1 3.94Å; Y169-L186 HydrophobicContact CD2-CD1 4.08Å; Y169-L186 HydrophobicContact CE2-CD1 3.67Å; L172-L186 HydrophobicContact CD1-CB 4.07Å; L172-L186 HydrophobicContact CD1-CD1 3.97Å; Y182-L186 HydrophobicContact CE1-CD2 3.89Å; Y182-L186 WeakPolarHBondContact O-CB 3.39Å; Y182-L186 PolarHBondContact O-N 3.36Å; L186-N188 VanDerWaalsContact C-N 3.31Å; L186-N188 PolarHBondContact O-N 3.38Å; L186-D189 PolarHBondContact O-N 3.12Å; L186-Q190 HydrophobicContact CD1-CG 4.18Å; L186-Q190 HydrophobicContact CG-CG 4.42Å; L186-Q190 VanDerWaalsContact O-CB 3.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.38Å; L186-Q190 VanDerWaalsContact O-CG 3.29Å; L186-Q190 WeakPolarHBondContact O-CG 3.27Å; L186-Q190 PolarHBondContact O-N 2.87Å; L186-A275 HydrophobicContact CD2-CB 3.95Å |
| 187 | K | 90.8 | Very high | 89.9 | Confident | 154 Ų | 154 | 62.3 Ų | 62.3 | 67% | 0.67 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.8 | -35.6 | 177.5 | -173.4 | 175.6 | -178.9 | 176.1 | 0 | 113.3 | E183 R185 K191 | E183-K187 WeakPolarHBondContact O-CB 3.41Å; E183-K187 PolarHBondContact O-N 2.92Å; E183-K187 VanDerWaalsContact O-N 3.14Å; R185-K187 PolarHBondContact O-N 3.42Å; R185-K187 VanDerWaalsContact O-N 3.11Å; K187-K191 WeakPolarHBondContact O-CB 3.47Å; K187-K191 PolarHBondContact O-N 3.09Å |
| 188 | N | 91.3 | Very high | 89.9 | Confident | 93 Ų | 93 | 68.5 Ų | 68.5 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.9 | -46.3 | 175.4 | -68.6 | -19.8 | 0 | 0 | 0 | 110.6 | K184 R185 L186 Q190 K191 E192 | K184-N188 PolarHBondContact O-N 3.4Å; R185-N188 WeakPolarHBondContact O-CA 3.11Å; R185-N188 WeakPolarHBondContact O-CB 3.41Å; R185-N188 PolarHBondContact O-N 2.94Å; L186-N188 VanDerWaalsContact C-N 3.31Å; L186-N188 PolarHBondContact O-N 3.38Å; N188-Q190 VanDerWaalsContact C-N 3.32Å; N188-Q190 PolarHBondContact O-N 2.87Å; N188-K191 WeakPolarHBondContact O-CA 3.26Å; N188-K191 WeakPolarHBondContact O-CB 3.47Å; N188-K191 PolarHBondContact O-N 2.9Å; N188-E192 PolarHBondContact O-N 3.28Å |
| 189 | D | 92.4 | Very high | 89.7 | Confident | 26 Ų | 26 | 75 Ų | 75 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.3 | -37.1 | -178.2 | -47 | -35.7 | 0 | 0 | 0 | 111.3 | Y169 R185 L186 K191 E192 L193 | Y169-D189 HydrophobicContact CD1-CB 3.58Å; Y169-D189 HydrophobicContact CD2-CB 4.39Å; Y169-D189 HydrophobicContact CE1-CB 3.39Å; Y169-D189 HydrophobicContact CE2-CB 4.24Å; Y169-D189 HydrophobicContact CG-CB 4.09Å; R185-D189 VanDerWaalsContact C-OD2 3.27Å; R185-D189 VanDerWaalsContact O-CG 3.25Å; R185-D189 PolarHBondContact O-N 3.49Å; R185-D189 VanDerWaalsContact O-OD2 3.05Å; L186-D189 PolarHBondContact O-N 3.12Å; D189-K191 VanDerWaalsContact C-N 3.32Å; D189-K191 PolarHBondContact O-N 3.46Å; D189-E192 PolarHBondContact O-N 2.96Å; D189-L193 WeakPolarHBondContact O-CB 3.23Å; D189-L193 PolarHBondContact O-N 2.69Å |
| 190 | Q | 91.3 | Very high | 89.5 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 171.1 | -77.8 | -171 | -21.1 | 0 | 0 | 112.8 | T17 L186 N188 R194 L273 A275 | T17-Q190 HydrophobicContact CG2-CG 4.27Å; T17-Q190 WeakPolarHBondContact OG1-CG 3.41Å; T17-Q190 PolarHBondContact OG1-NE2 2.85Å; L186-Q190 HydrophobicContact CD1-CG 4.18Å; L186-Q190 HydrophobicContact CG-CG 4.42Å; L186-Q190 VanDerWaalsContact O-CB 3.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.38Å; L186-Q190 VanDerWaalsContact O-CG 3.29Å; L186-Q190 WeakPolarHBondContact O-CG 3.27Å; L186-Q190 PolarHBondContact O-N 2.87Å; N188-Q190 VanDerWaalsContact C-N 3.32Å; N188-Q190 PolarHBondContact O-N 2.87Å; Q190-R194 WeakPolarHBondContact O-CB 3.39Å; Q190-R194 PolarHBondContact O-N 3.38Å; Q190-L273 HydrophobicContact CB-CD2 4.21Å; Q190-L273 HydrophobicContact CG-CD2 4.39Å; Q190-L273 WeakPolarHBondContact O-CD2 3.12Å; Q190-A275 VanDerWaalsContact NE2-CA 3.3Å |
| 191 | K | 90.4 | Very high | 89.5 | Confident | 133 Ų | 133 | 71.7 Ų | 71.7 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.3 | -41.7 | 176.8 | -176.3 | -174.9 | 175.4 | -171.6 | 0 | 110.5 | K187 N188 D189 R194 N195 | K187-K191 WeakPolarHBondContact O-CB 3.47Å; K187-K191 PolarHBondContact O-N 3.09Å; N188-K191 WeakPolarHBondContact O-CA 3.26Å; N188-K191 WeakPolarHBondContact O-CB 3.47Å; N188-K191 PolarHBondContact O-N 2.9Å; D189-K191 VanDerWaalsContact C-N 3.32Å; D189-K191 PolarHBondContact O-N 3.46Å; K191-R194 PolarHBondContact O-N 2.97Å; K191-N195 PolarHBondContact O-N 3.47Å; K191-N195 VanDerWaalsContact O-N 3.13Å; K191-N195 PolarHBondContact O-ND2 2.86Å |
| 192 | E | 90.2 | Very high | 89.3 | Confident | 115 Ų | 115 | 69.7 Ų | 69.7 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -51.5 | 175.3 | -175.2 | 168.4 | -175.5 | 0 | 0 | 111.4 | N188 D189 R194 N195 Q196 | N188-E192 PolarHBondContact O-N 3.28Å; D189-E192 PolarHBondContact O-N 2.96Å; E192-R194 VanDerWaalsContact C-N 3.27Å; E192-R194 PolarHBondContact O-N 2.68Å; E192-N195 WeakPolarHBondContact O-CB 3.31Å; E192-N195 PolarHBondContact O-N 2.73Å; E192-Q196 PolarHBondContact O-N 3.43Å; E192-Q196 VanDerWaalsContact O-N 3.12Å |
| 193 | L | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.9 | -41 | 176 | 179.1 | 59.3 | 0 | 0 | 0 | 112.2 | V19 I33 I39 I167 D189 N195 Q196 L197 L273 | V19-L193 HydrophobicContact CG2-CD2 4.15Å; I33-L193 HydrophobicContact CG1-CD1 4.34Å; I33-L193 HydrophobicContact CG2-CD1 3.7Å; I39-L193 HydrophobicContact CD1-CD1 4.27Å; I167-L193 HydrophobicContact CG1-CD2 4.22Å; I167-L193 HydrophobicContact CG2-CD2 4.34Å; D189-L193 WeakPolarHBondContact O-CB 3.23Å; D189-L193 PolarHBondContact O-N 2.69Å; L193-N195 VanDerWaalsContact C-N 3.31Å; L193-N195 PolarHBondContact O-N 2.93Å; L193-Q196 PolarHBondContact O-N 3.08Å; L193-L197 HydrophobicContact CD1-CD1 4.16Å; L193-L197 HydrophobicContact CD1-CG 4.24Å; L193-L197 HydrophobicContact CG-CD1 3.97Å; L193-L197 HydrophobicContact CG-CG 4.5Å; L193-L197 WeakPolarHBondContact O-CG 3.34Å; L193-L197 PolarHBondContact O-N 3.13Å; L193-L273 HydrophobicContact CB-CD2 4.18Å; L193-L273 HydrophobicContact CD2-CD2 3.91Å; L193-L273 HydrophobicContact CD2-CG 4.49Å; L193-L273 HydrophobicContact CG-CD2 4.01Å |
| 194 | R | 90 | Very high | 88.6 | Confident | 114 Ų | 114 | 72.8 Ų | 72.8 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | 176.6 | -172.5 | -177.8 | -63.3 | 154.7 | 1.5 | 112.2 | Q190 K191 E192 K198 L273 | Q190-R194 WeakPolarHBondContact O-CB 3.39Å; Q190-R194 PolarHBondContact O-N 3.38Å; K191-R194 PolarHBondContact O-N 2.97Å; E192-R194 VanDerWaalsContact C-N 3.27Å; E192-R194 PolarHBondContact O-N 2.68Å; R194-K198 WeakPolarHBondContact O-CG 3.23Å; R194-K198 PolarHBondContact O-N 3.49Å; R194-L273 HydrophobicContact CB-CD2 4.24Å |
| 195 | N | 89.1 | Confident | 88.4 | Confident | 84 Ų | 84 | 67 Ų | 67 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 177.4 | -71.8 | -19.6 | 0 | 0 | 0 | 111 | K191 E192 L193 K198 E199 | K191-N195 PolarHBondContact O-N 3.47Å; K191-N195 VanDerWaalsContact O-N 3.13Å; K191-N195 PolarHBondContact O-ND2 2.86Å; E192-N195 WeakPolarHBondContact O-CB 3.31Å; E192-N195 PolarHBondContact O-N 2.73Å; L193-N195 VanDerWaalsContact C-N 3.31Å; L193-N195 PolarHBondContact O-N 2.93Å; N195-K198 WeakPolarHBondContact O-CB 3.39Å; N195-K198 PolarHBondContact O-N 2.94Å; N195-E199 PolarHBondContact O-N 3.47Å |
| 196 | Q | 86.9 | Confident | 88.2 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 23% | 0.229 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 177 | -174.9 | 159.1 | -15.9 | 0 | 0 | 113.2 | K32 E192 L193 K198 E199 V200 | K32-Q196 PolarHBondContact O-NE2 2.86Å; E192-Q196 PolarHBondContact O-N 3.43Å; E192-Q196 VanDerWaalsContact O-N 3.12Å; L193-Q196 PolarHBondContact O-N 3.08Å; Q196-K198 PolarHBondContact O-N 3.48Å; Q196-E199 WeakPolarHBondContact O-CB 3.44Å; Q196-E199 PolarHBondContact O-N 2.9Å; Q196-V200 WeakPolarHBondContact O-CG2 3.46Å; Q196-V200 PolarHBondContact O-N 2.92Å; Q196-V200 VanDerWaalsContact O-N 3.09Å |
| 197 | L | 88.3 | Confident | 87.8 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -27.1 | 175.4 | -72.6 | 169.3 | 0 | 0 | 0 | 112.6 | V19 I33 L193 E199 V200 A201 Y271 L273 | V19-L197 HydrophobicContact CG1-CD1 4.08Å; I33-L197 HydrophobicContact CD1-CD2 4.02Å; I33-L197 HydrophobicContact CG1-CD2 4.01Å; L193-L197 HydrophobicContact CD1-CD1 4.16Å; L193-L197 HydrophobicContact CD1-CG 4.24Å; L193-L197 HydrophobicContact CG-CD1 3.97Å; L193-L197 HydrophobicContact CG-CG 4.5Å; L193-L197 WeakPolarHBondContact O-CG 3.34Å; L193-L197 PolarHBondContact O-N 3.13Å; L197-E199 VanDerWaalsContact C-N 3.31Å; L197-V200 PolarHBondContact O-N 3.49Å; L197-A201 WeakPolarHBondContact O-CB 3.49Å; L197-A201 PolarHBondContact O-N 3.44Å; L197-Y271 HydrophobicContact CB-CD2 3.83Å; L197-Y271 HydrophobicContact CB-CE2 4.3Å; L197-Y271 HydrophobicContact CB-CG 4.11Å; L197-Y271 HydrophobicContact CD1-CD1 4.41Å; L197-Y271 HydrophobicContact CD1-CG 4.16Å; L197-Y271 HydrophobicContact CD2-CD1 4.18Å; L197-Y271 HydrophobicContact CD2-CD2 4.38Å; L197-Y271 HydrophobicContact CD2-CE1 4.16Å; L197-Y271 HydrophobicContact CD2-CE2 4.35Å; L197-Y271 HydrophobicContact CD2-CG 4.29Å; L197-Y271 HydrophobicContact CG-CG 4.43Å; L197-L273 HydrophobicContact CD1-CD1 3.72Å |
| 198 | K | 86.7 | Confident | 87.5 | Confident | 137 Ų | 137 | 63.5 Ų | 63.5 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.3 | -28.5 | 171 | -72.2 | 173.8 | 177.9 | -178.9 | 0 | 112.9 | R194 N195 Q196 P202 | R194-K198 WeakPolarHBondContact O-CG 3.23Å; R194-K198 PolarHBondContact O-N 3.49Å; N195-K198 WeakPolarHBondContact O-CB 3.39Å; N195-K198 PolarHBondContact O-N 2.94Å; Q196-K198 PolarHBondContact O-N 3.48Å; K198-P202 WeakPolarHBondContact O-CD 3.49Å |
| 199 | E | 85.8 | Confident | 87.3 | Confident | 148 Ų | 148 | 62 Ų | 62 | 69% | 0.692 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -78.3 | -30.7 | 174.1 | -60.7 | -174.5 | 165.3 | 0 | 0 | 111.7 | N195 Q196 L197 P202 | N195-E199 PolarHBondContact O-N 3.47Å; Q196-E199 WeakPolarHBondContact O-CB 3.44Å; Q196-E199 PolarHBondContact O-N 2.9Å; L197-E199 VanDerWaalsContact C-N 3.31Å; E199-P202 WeakPolarHBondContact O-CD 3.24Å |
| 200 | V | 84.8 | Confident | 87.2 | Confident | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -76.7 | -32.5 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | E29 K32 Q196 L197 L203 R204 | E29-V200 HydrophobicContact CG-CG1 3.84Å; K32-V200 HydrophobicContact CD-CG1 4.3Å; K32-V200 HydrophobicContact CD-CG2 4.09Å; Q196-V200 WeakPolarHBondContact O-CG2 3.46Å; Q196-V200 PolarHBondContact O-N 2.92Å; Q196-V200 VanDerWaalsContact O-N 3.09Å; L197-V200 PolarHBondContact O-N 3.49Å; V200-L203 WeakPolarHBondContact O-CB 3.46Å; V200-L203 PolarHBondContact O-N 2.9Å; V200-R204 PolarHBondContact O-N 3.24Å |
| 201 | A | 85.3 | Confident | 86.9 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L197 L203 R204 L205 A268 P269 Y271 | L197-A201 WeakPolarHBondContact O-CB 3.49Å; L197-A201 PolarHBondContact O-N 3.44Å; A201-L203 PolarHBondContact O-N 3.42Å; A201-R204 PolarHBondContact O-N 3.5Å; A201-L205 PolarHBondContact O-N 2.92Å; A201-A268 HydrophobicContact CB-CB 4.26Å; A201-P269 HydrophobicContact CB-CG 4.04Å; A201-P269 WeakPolarHBondContact O-CD 3.31Å; A201-Y271 HydrophobicContact CB-CD2 4.47Å; A201-Y271 HydrophobicContact CB-CE2 3.91Å |
| 202 | P | 84.8 | Confident | 86.7 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 176 | -23.3 | 33.5 | 0 | 0 | 0 | 113.3 | K198 E199 R204 L205 A206 | K198-P202 WeakPolarHBondContact O-CD 3.49Å; E199-P202 WeakPolarHBondContact O-CD 3.24Å; P202-R204 VanDerWaalsContact C-N 3.34Å; P202-L205 PolarHBondContact O-N 2.92Å; P202-A206 WeakPolarHBondContact O-CB 3.28Å; P202-A206 PolarHBondContact O-N 3.29Å |
| 203 | L | 84.6 | Confident | 86.5 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.9 | -62.8 | 174.7 | 0 | 0 | 0 | 110.5 | V200 A201 L205 A206 D207 | V200-L203 WeakPolarHBondContact O-CB 3.46Å; V200-L203 PolarHBondContact O-N 2.9Å; A201-L203 PolarHBondContact O-N 3.42Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L203-L205 PolarHBondContact O-N 3.07Å; L203-A206 PolarHBondContact O-N 3.2Å; L203-D207 PolarHBondContact O-N 3.04Å |
| 204 | R | 83.1 | Confident | 86.4 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.6 | -175.7 | 59.7 | 173.4 | 142.5 | 4.9 | 112.4 | E29 V200 A201 P202 L208 P269 | E29-R204 WeakPolarHBondContact OE1-CB 3.24Å; E29-R204 VanDerWaalsContact OE1-CD 3.3Å; E29-R204 WeakPolarHBondContact OE1-CD 3.07Å; E29-R204 VanDerWaalsContact OE1-CG 3.24Å; E29-R204 WeakPolarHBondContact OE1-CG 3.36Å; E29-R204 IonicContact OE1-NE 2.68Å; E29-R204 IonicContact OE2-NE 2.72Å; V200-R204 PolarHBondContact O-N 3.24Å; A201-R204 PolarHBondContact O-N 3.5Å; P202-R204 VanDerWaalsContact C-N 3.34Å; R204-L208 WeakPolarHBondContact O-CB 3.45Å; R204-L208 PolarHBondContact O-N 3.14Å; R204-P269 HydrophobicContact CB-CG 4.1Å; R204-P269 HydrophobicContact CG-CG 4.02Å |
| 205 | L | 85.9 | Confident | 86.2 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 174.5 | 179.6 | 60.3 | 0 | 0 | 0 | 111.4 | A201 P202 L203 L208 K209 L266 A268 | A201-L205 PolarHBondContact O-N 2.92Å; P202-L205 PolarHBondContact O-N 2.92Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L203-L205 PolarHBondContact O-N 3.07Å; L205-L208 PolarHBondContact O-N 2.99Å; L205-K209 HydrophobicContact CD1-CD 4.46Å; L205-K209 HydrophobicContact CD1-CG 4.18Å; L205-K209 HydrophobicContact CG-CD 4.42Å; L205-K209 HydrophobicContact CG-CG 4.46Å; L205-K209 WeakPolarHBondContact O-CB 3.29Å; L205-K209 WeakPolarHBondContact O-CG 3.44Å; L205-K209 PolarHBondContact O-N 3.27Å; L205-L266 HydrophobicContact CD1-CB 3.81Å; L205-L266 WeakPolarHBondContact CD1-O 3.48Å; L205-A268 HydrophobicContact CB-CB 4.41Å; L205-A268 HydrophobicContact CD2-CB 4.16Å |
| 206 | A | 85.9 | Confident | 86 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | P202 L203 L208 K209 K210 | P202-A206 WeakPolarHBondContact O-CB 3.28Å; P202-A206 PolarHBondContact O-N 3.29Å; L203-A206 PolarHBondContact O-N 3.2Å; A206-L208 PolarHBondContact O-N 3.33Å; A206-K209 PolarHBondContact O-N 3.19Å; A206-K210 WeakPolarHBondContact O-CB 3.49Å; A206-K210 PolarHBondContact O-N 2.97Å |
| 207 | D | 85.1 | Confident | 86 | Confident | 96 Ų | 96 | 63.7 Ų | 63.7 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 175.7 | -71.4 | -22.1 | 0 | 0 | 0 | 111.8 | L203 K210 E211 | L203-D207 PolarHBondContact O-N 3.04Å; D207-K210 PolarHBondContact O-N 2.85Å; D207-E211 PolarHBondContact O-N 3.48Å |
| 208 | L | 85 | Confident | 85.9 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 177.3 | -177.2 | 67.9 | 0 | 0 | 0 | 111.8 | L23 R204 L205 A206 K210 E211 Q212 L266 | L23-L208 HydrophobicContact CD1-CD2 3.86Å; R204-L208 WeakPolarHBondContact O-CB 3.45Å; R204-L208 PolarHBondContact O-N 3.14Å; L205-L208 PolarHBondContact O-N 2.99Å; A206-L208 PolarHBondContact O-N 3.33Å; L208-K210 VanDerWaalsContact C-N 3.3Å; L208-K210 PolarHBondContact O-N 3.37Å; L208-E211 PolarHBondContact O-N 3.27Å; L208-Q212 HydrophobicContact CD1-CG 4.4Å; L208-Q212 WeakPolarHBondContact O-CG 3.33Å; L208-Q212 PolarHBondContact O-N 3.45Å; L208-L266 HydrophobicContact CD2-CD1 4Å; L208-L266 HydrophobicContact CD2-CD2 4.32Å; L208-L266 HydrophobicContact CG-CD1 4.08Å |
| 209 | K | 87.3 | Confident | 85.8 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 175.9 | -77.2 | -168.3 | 176.6 | -152.3 | 0 | 110.5 | L205 A206 Q212 Q213 I263 D264 L266 | L205-K209 HydrophobicContact CD1-CD 4.46Å; L205-K209 HydrophobicContact CD1-CG 4.18Å; L205-K209 HydrophobicContact CG-CD 4.42Å; L205-K209 HydrophobicContact CG-CG 4.46Å; L205-K209 WeakPolarHBondContact O-CB 3.29Å; L205-K209 WeakPolarHBondContact O-CG 3.44Å; L205-K209 PolarHBondContact O-N 3.27Å; A206-K209 PolarHBondContact O-N 3.19Å; K209-Q212 PolarHBondContact O-N 3.47Å; K209-Q213 WeakPolarHBondContact O-CB 3.38Å; K209-Q213 PolarHBondContact O-N 3.5Å; K209-I263 HydrophobicContact CB-CG2 4.35Å; K209-I263 WeakPolarHBondContact CE-O 3.47Å; K209-I263 HydrophobicContact CG-CG2 4.22Å; K209-I263 PolarHBondContact NZ-O 2.75Å; K209-D264 PolarHBondContact NZ-O 3.38Å; K209-L266 HydrophobicContact CG-CB 4.48Å; K209-L266 HydrophobicContact CG-CD1 4.18Å |
| 210 | K | 88.7 | Confident | 85.6 | Confident | 130 Ų | 130 | 61.9 Ų | 61.9 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.2 | -46.8 | 175.9 | -173.9 | -179 | 175.8 | -175.5 | 0 | 112.2 | A206 D207 L208 Q212 Q213 E214 | A206-K210 WeakPolarHBondContact O-CB 3.49Å; A206-K210 PolarHBondContact O-N 2.97Å; D207-K210 PolarHBondContact O-N 2.85Å; L208-K210 VanDerWaalsContact C-N 3.3Å; L208-K210 PolarHBondContact O-N 3.37Å; K210-Q212 VanDerWaalsContact C-N 3.34Å; K210-Q212 PolarHBondContact O-N 3.46Å; K210-Q213 PolarHBondContact O-N 2.7Å; K210-E214 WeakPolarHBondContact CE-OE1 3.34Å; K210-E214 WeakPolarHBondContact O-CG 3.25Å; K210-E214 PolarHBondContact O-N 2.83Å |
| 211 | E | 85.8 | Confident | 85.4 | Confident | 68 Ų | 68 | 66.6 Ų | 66.6 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.5 | -169.2 | -164.4 | 145.3 | 0 | 0 | 112.1 | D207 L208 K215 | D207-E211 PolarHBondContact O-N 3.48Å; L208-E211 PolarHBondContact O-N 3.27Å; E211-K215 WeakPolarHBondContact O-CG 3.24Å; E211-K215 PolarHBondContact O-N 3.48Å; E211-K215 IonicContact OE1-NZ 3.2Å; E211-K215 PolarHBondContact OE1-NZ 2.93Å |
| 212 | Q | 86.1 | Confident | 85.1 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.5 | -36.2 | 178.3 | -63.5 | -62.7 | -22.6 | 0 | 0 | 111.9 | L208 K209 K210 K215 L216 I263 L266 | L208-Q212 HydrophobicContact CD1-CG 4.4Å; L208-Q212 WeakPolarHBondContact O-CG 3.33Å; L208-Q212 PolarHBondContact O-N 3.45Å; K209-Q212 PolarHBondContact O-N 3.47Å; K210-Q212 VanDerWaalsContact C-N 3.34Å; K210-Q212 PolarHBondContact O-N 3.46Å; Q212-K215 WeakPolarHBondContact O-CB 3.34Å; Q212-K215 PolarHBondContact O-N 2.81Å; Q212-L216 WeakPolarHBondContact O-CB 3.33Å; Q212-L216 PolarHBondContact O-N 2.88Å; Q212-I263 HydrophobicContact CB-CD1 3.85Å; Q212-I263 HydrophobicContact CB-CG1 3.73Å; Q212-L266 HydrophobicContact CG-CD1 4.4Å |
| 213 | Q | 86.9 | Confident | 84.8 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 175 | -166.7 | 65.4 | 46.6 | 0 | 0 | 110.8 | K209 K210 K215 L216 D217 Q260 | K209-Q213 WeakPolarHBondContact O-CB 3.38Å; K209-Q213 PolarHBondContact O-N 3.5Å; K210-Q213 PolarHBondContact O-N 2.7Å; Q213-K215 PolarHBondContact O-N 3.36Å; Q213-L216 CarbonylContact O-C 3.58Å; Q213-L216 WeakPolarHBondContact O-CB 3.28Å; Q213-L216 PolarHBondContact O-N 2.97Å; Q213-D217 PolarHBondContact NE2-OD1 3.39Å; Q213-D217 WeakPolarHBondContact O-CB 3.33Å; Q213-D217 PolarHBondContact O-N 3.38Å; Q213-Q260 VanDerWaalsContact NE2-OE1 3.1Å |
| 214 | E | 88.5 | Confident | 84.3 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -33.4 | 175.2 | -74.8 | 177.2 | -167.4 | 0 | 0 | 112.8 | K210 R218 | K210-E214 WeakPolarHBondContact CE-OE1 3.34Å; K210-E214 WeakPolarHBondContact O-CG 3.25Å; K210-E214 PolarHBondContact O-N 2.83Å; E214-R218 VanDerWaalsContact O-CG 3.27Å; E214-R218 WeakPolarHBondContact O-CG 3.13Å; E214-R218 PolarHBondContact O-N 3.18Å |
| 215 | K | 85.1 | Confident | 83.9 | Confident | 104 Ų | 104 | 75.2 Ų | 75.2 | 45% | 0.452 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 173.7 | -76 | 168.2 | 175.4 | 163.7 | 0 | 111.7 | E211 Q212 Q213 A219 | E211-K215 WeakPolarHBondContact O-CG 3.24Å; E211-K215 PolarHBondContact O-N 3.48Å; E211-K215 IonicContact OE1-NZ 3.2Å; E211-K215 PolarHBondContact OE1-NZ 2.93Å; Q212-K215 WeakPolarHBondContact O-CB 3.34Å; Q212-K215 PolarHBondContact O-N 2.81Å; Q213-K215 PolarHBondContact O-N 3.36Å; K215-A219 PolarHBondContact O-N 3.26Å |
| 216 | L | 85.8 | Confident | 83.3 | Confident | 4 Ų | 4 | 80.2 Ų | 80.2 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 176.7 | 179.9 | 59 | 0 | 0 | 0 | 111.4 | Q212 Q213 R218 A219 K220 L256 Q259 Q260 I263 | Q212-L216 WeakPolarHBondContact O-CB 3.33Å; Q212-L216 PolarHBondContact O-N 2.88Å; Q213-L216 CarbonylContact O-C 3.58Å; Q213-L216 WeakPolarHBondContact O-CB 3.28Å; Q213-L216 PolarHBondContact O-N 2.97Å; L216-R218 VanDerWaalsContact C-N 3.34Å; L216-R218 PolarHBondContact O-N 3.16Å; L216-A219 CarbonylContact O-C 3.54Å; L216-A219 WeakPolarHBondContact O-CA 3.48Å; L216-A219 WeakPolarHBondContact O-CB 3.35Å; L216-A219 PolarHBondContact O-N 3.08Å; L216-K220 WeakPolarHBondContact O-CG 3.42Å; L216-K220 PolarHBondContact O-N 3.21Å; L216-L256 HydrophobicContact CD1-CB 4.46Å; L216-L256 HydrophobicContact CD1-CD2 3.56Å; L216-Q259 HydrophobicContact CD1-CB 4.05Å; L216-Q260 HydrophobicContact CD2-CB 3.95Å; L216-I263 HydrophobicContact CB-CD1 4.05Å; L216-I263 HydrophobicContact CD2-CD1 3.73Å |
| 217 | D | 86.6 | Confident | 82.6 | Confident | 66 Ų | 66 | 79.1 Ų | 79.1 | 35% | 0.353 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 178.1 | -63.9 | -16.9 | 0 | 0 | 0 | 110.5 | Q213 A219 K220 E221 | Q213-D217 PolarHBondContact NE2-OD1 3.39Å; Q213-D217 WeakPolarHBondContact O-CB 3.33Å; Q213-D217 PolarHBondContact O-N 3.38Å; D217-A219 VanDerWaalsContact C-N 3.31Å; D217-A219 PolarHBondContact O-N 2.84Å; D217-K220 WeakPolarHBondContact O-CB 3.17Å; D217-K220 PolarHBondContact O-N 3.18Å; D217-E221 WeakPolarHBondContact O-CG 3.17Å; D217-E221 PolarHBondContact O-N 3.25Å |
| 218 | R | 86.5 | Confident | 81.7 | Confident | 168 Ų | 168 | 79.9 Ų | 79.9 | 63% | 0.634 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.9 | -35.9 | 171.5 | -71.9 | 179 | -154 | -160.4 | 5.9 | 113.1 | E214 L216 K222 | E214-R218 VanDerWaalsContact O-CG 3.27Å; E214-R218 WeakPolarHBondContact O-CG 3.13Å; E214-R218 PolarHBondContact O-N 3.18Å; L216-R218 VanDerWaalsContact C-N 3.34Å; L216-R218 PolarHBondContact O-N 3.16Å; R218-K222 WeakPolarHBondContact O-CB 3.18Å; R218-K222 PolarHBondContact O-N 3.36Å |
| 219 | A | 83.3 | Confident | 80.7 | Confident | 39 Ų | 39 | 80.6 Ų | 80.6 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K215 L216 D217 K222 F223 L256 | K215-A219 PolarHBondContact O-N 3.26Å; L216-A219 CarbonylContact O-C 3.54Å; L216-A219 WeakPolarHBondContact O-CA 3.48Å; L216-A219 WeakPolarHBondContact O-CB 3.35Å; L216-A219 PolarHBondContact O-N 3.08Å; D217-A219 VanDerWaalsContact C-N 3.31Å; D217-A219 PolarHBondContact O-N 2.84Å; A219-K222 PolarHBondContact O-N 3.45Å; A219-F223 WeakPolarHBondContact O-CB 3.37Å; A219-F223 PolarHBondContact O-N 3.12Å; A219-L256 HydrophobicContact CB-CD2 4.24Å |
| 220 | K | 82 | Confident | 79.8 | Confident | 42 Ų | 42 | 80 Ų | 80 | 18% | 0.183 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 173 | -73 | -174.7 | 172.5 | -166.7 | 0 | 111.9 | L216 D217 K222 F223 Q224 I231 D232 L256 | L216-K220 WeakPolarHBondContact O-CG 3.42Å; L216-K220 PolarHBondContact O-N 3.21Å; D217-K220 WeakPolarHBondContact O-CB 3.17Å; D217-K220 PolarHBondContact O-N 3.18Å; K220-K222 VanDerWaalsContact C-N 3.35Å; K220-K222 PolarHBondContact O-N 2.9Å; K220-F223 WeakPolarHBondContact O-CB 3.3Å; K220-F223 PolarHBondContact O-N 2.77Å; K220-Q224 WeakPolarHBondContact O-CB 3.22Å; K220-Q224 PolarHBondContact O-N 2.85Å; K220-I231 HydrophobicContact CB-CD1 4.06Å; K220-I231 HydrophobicContact CG-CD1 3.92Å; K220-D232 IonicContact NZ-OD1 3.26Å; K220-D232 PolarHBondContact NZ-OD1 2.94Å; K220-L256 HydrophobicContact CG-CD1 4.5Å; K220-L256 HydrophobicContact CG-CD2 4.49Å |
| 221 | E | 81.6 | Confident | 78.6 | Confident | 113 Ų | 113 | 75.4 Ų | 75.4 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 175.4 | -76.5 | 177.4 | 176 | 0 | 0 | 111.6 | D217 Q224 Q225 | D217-E221 WeakPolarHBondContact O-CG 3.17Å; D217-E221 PolarHBondContact O-N 3.25Å; E221-Q224 PolarHBondContact O-N 3.49Å; E221-Q225 WeakPolarHBondContact O-CG 3.34Å; E221-Q225 PolarHBondContact O-N 3.42Å |
| 222 | K | 79.6 | Confident | 77.6 | Confident | 125 Ų | 125 | 78 Ų | 78 | 54% | 0.543 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.4 | -170.9 | -177.3 | 176.6 | -162 | 0 | 111.4 | R218 A219 K220 Q224 Q225 E226 | R218-K222 WeakPolarHBondContact O-CB 3.18Å; R218-K222 PolarHBondContact O-N 3.36Å; A219-K222 PolarHBondContact O-N 3.45Å; K220-K222 VanDerWaalsContact C-N 3.35Å; K220-K222 PolarHBondContact O-N 2.9Å; K222-Q224 VanDerWaalsContact C-N 3.35Å; K222-Q224 PolarHBondContact O-N 3.37Å; K222-Q225 PolarHBondContact O-N 3.4Å; K222-E226 WeakPolarHBondContact CE-OE1 3.49Å; K222-E226 IonicContact NZ-OE1 3.71Å; K222-E226 WeakPolarHBondContact O-CG 3.31Å; K222-E226 PolarHBondContact O-N 3.42Å |
| 223 | F | 76.5 | Confident | 76.6 | Confident | 13 Ų | 13 | 84.1 Ų | 84.1 | 6% | 0.057 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 174.9 | 177.3 | -85.4 | 0 | 0 | 0 | 111.8 | A219 K220 Q225 E226 T227 I231 L249 Q252 L253 L256 | A219-F223 WeakPolarHBondContact O-CB 3.37Å; A219-F223 PolarHBondContact O-N 3.12Å; K220-F223 WeakPolarHBondContact O-CB 3.3Å; K220-F223 PolarHBondContact O-N 2.77Å; F223-Q225 VanDerWaalsContact C-N 3.33Å; F223-Q225 PolarHBondContact O-N 3.07Å; F223-E226 PolarHBondContact O-N 2.75Å; F223-T227 HydrophobicContact CD1-CG2 4.5Å; F223-T227 HydrophobicContact CD2-CG2 4.38Å; F223-T227 HydrophobicContact CE1-CG2 4.22Å; F223-T227 HydrophobicContact CE2-CG2 4.09Å; F223-T227 HydrophobicContact CZ-CG2 4.02Å; F223-T227 WeakPolarHBondContact O-CB 3.28Å; F223-T227 PolarHBondContact O-N 3.02Å; F223-T227 PolarHBondContact O-OG1 2.89Å; F223-I231 HydrophobicContact CB-CD1 4.32Å; F223-I231 HydrophobicContact CD1-CD1 3.41Å; F223-I231 VanDerWaalsContact CD1-CD1 3.41Å; F223-I231 HydrophobicContact CD1-CG1 3.56Å; F223-I231 HydrophobicContact CE1-CD1 3.9Å; F223-I231 HydrophobicContact CE1-CG1 3.58Å; F223-I231 HydrophobicContact CG-CD1 4.04Å; F223-L249 HydrophobicContact CE2-CD1 4.25Å; F223-L249 HydrophobicContact CZ-CD1 3.68Å; F223-L249 HydrophobicContact CZ-CG 4.16Å; F223-Q252 HydrophobicContact CD2-CB 4.46Å; F223-Q252 HydrophobicContact CE2-CB 3.9Å; F223-L253 HydrophobicContact CE1-CD2 4.42Å; F223-L253 HydrophobicContact CZ-CD2 4.26Å; F223-L253 HydrophobicContact CZ-CG 4.44Å; F223-L256 HydrophobicContact CG-CD1 4.46Å |
| 224 | Q | 75.2 | Confident | 75.6 | Confident | 81 Ų | 81 | 83.5 Ų | 83.5 | 38% | 0.379 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 177.8 | -178.7 | 173.9 | 29.5 | 0 | 0 | 112 | K220 E221 K222 S228 L229 | K220-Q224 WeakPolarHBondContact O-CB 3.22Å; K220-Q224 PolarHBondContact O-N 2.85Å; E221-Q224 PolarHBondContact O-N 3.49Å; K222-Q224 VanDerWaalsContact C-N 3.35Å; K222-Q224 PolarHBondContact O-N 3.37Å; Q224-S228 WeakPolarHBondContact O-CA 3.35Å; Q224-S228 PolarHBondContact O-N 3.34Å; Q224-L229 WeakPolarHBondContact CA-O 3.24Å; Q224-L229 WeakPolarHBondContact CG-O 3.41Å |
| 225 | Q | 75 | Confident | 74.5 | Confident | 159 Ų | 159 | 82.5 Ų | 82.5 | 74% | 0.743 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.6 | -40.8 | 173.9 | -74 | 177.1 | 4.9 | 0 | 0 | 112.7 | E221 K222 F223 | E221-Q225 WeakPolarHBondContact O-CG 3.34Å; E221-Q225 PolarHBondContact O-N 3.42Å; K222-Q225 PolarHBondContact O-N 3.4Å; F223-Q225 VanDerWaalsContact C-N 3.33Å; F223-Q225 PolarHBondContact O-N 3.07Å |
| 226 | E | 73.8 | Confident | 73.5 | Confident | 135 Ų | 135 | 82.9 Ų | 82.9 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.2 | -35.1 | -179.3 | -73.7 | 176 | -179.4 | 0 | 0 | 112.5 | K222 F223 | K222-E226 WeakPolarHBondContact CE-OE1 3.49Å; K222-E226 IonicContact NZ-OE1 3.71Å; K222-E226 WeakPolarHBondContact O-CG 3.31Å; K222-E226 PolarHBondContact O-N 3.42Å; F223-E226 PolarHBondContact O-N 2.75Å |
| 227 | T | 69.5 | Low | 72.3 | Confident | 34 Ų | 34 | 90.3 Ų | 90.3 | 21% | 0.209 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -106.1 | -10.4 | -173.3 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | F223 L229 L249 | F223-T227 HydrophobicContact CD1-CG2 4.5Å; F223-T227 HydrophobicContact CD2-CG2 4.38Å; F223-T227 HydrophobicContact CE1-CG2 4.22Å; F223-T227 HydrophobicContact CE2-CG2 4.09Å; F223-T227 HydrophobicContact CZ-CG2 4.02Å; F223-T227 WeakPolarHBondContact O-CB 3.28Å; F223-T227 PolarHBondContact O-N 3.02Å; F223-T227 PolarHBondContact O-OG1 2.89Å; T227-L229 PolarHBondContact O-N 2.88Å; T227-L229 VanDerWaalsContact O-N 3.15Å; T227-L229 PolarHBondContact OG1-N 2.98Å; T227-L249 HydrophobicContact CG2-CD1 4.15Å |
| 228 | S | 66.3 | Low | 71.1 | Confident | 112 Ų | 112 | 92.1 Ų | 92.1 | 78% | 0.783 | 46% | 0.456 | S | S | * | . | trans | 55.6 | 18.6 | -168.9 | -54.9 | 0 | 0 | 0 | 0 | 114.3 | Q224 | Q224-S228 WeakPolarHBondContact O-CA 3.35Å; Q224-S228 PolarHBondContact O-N 3.34Å | ||
| 229 | L | 65.6 | Low | 69.8 | Low | 38 Ų | 38 | 87.2 Ų | 87.2 | 20% | 0.199 | 44% | 0.442 | C | S | . | . | trans | -109.3 | 127.2 | -176.9 | -82.9 | 152 | 0 | 0 | 0 | 111.1 | Q224 T227 I231 L234 I242 L249 | Q224-L229 WeakPolarHBondContact CA-O 3.24Å; Q224-L229 WeakPolarHBondContact CG-O 3.41Å; T227-L229 PolarHBondContact O-N 2.88Å; T227-L229 VanDerWaalsContact O-N 3.15Å; T227-L229 PolarHBondContact OG1-N 2.98Å; L229-I231 PolarHBondContact O-N 2.72Å; L229-L234 HydrophobicContact CB-CD1 4.46Å; L229-L234 HydrophobicContact CD2-CD1 4.31Å; L229-L234 HydrophobicContact CD2-CD2 4.18Å; L229-L234 HydrophobicContact CD2-CG 4.29Å; L229-I242 HydrophobicContact CD1-CD1 3.92Å; L229-I242 HydrophobicContact CD1-CG2 3.85Å; L229-I242 HydrophobicContact CD2-CD1 3.39Å; L229-I242 HydrophobicContact CG-CD1 4.31Å; L229-L249 HydrophobicContact CD1-CD1 4.47Å | ||
| 230 | D | 67.2 | Low | 68.8 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 26% | 0.262 | 45% | 0.453 | S | S | . | . | trans | -84.7 | 106.5 | 172.7 | -171.4 | -7.7 | 0 | 0 | 0 | 109.7 | D232 R233 L234 | D230-D232 PolarHBondContact O-N 3.4Å; D230-D232 PolarHBondContact OD1-N 3.38Å; D230-R233 HydrophobicContact CB-CB 4.27Å; D230-R233 HydrophobicContact CB-CG 4.45Å; D230-R233 PolarHBondContact O-N 3.18Å; D230-R233 VanDerWaalsContact O-N 3.13Å; D230-R233 WeakPolarHBondContact OD2-CD 3.34Å; D230-R233 WeakPolarHBondContact OD2-CG 3.28Å; D230-R233 IonicContact OD2-NE 3.75Å; D230-R233 PolarHBondContact OD2-NE 2.64Å; D230-L234 PolarHBondContact O-N 2.78Å | ||
| 231 | I | 63.8 | Low | 67.9 | Low | 34 Ų | 34 | 89.1 Ų | 89.1 | 17% | 0.174 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -55.8 | -39 | -176.9 | -61 | 161.3 | 0 | 0 | 0 | 111.4 | K220 F223 L229 R233 L253 L256 | K220-I231 HydrophobicContact CB-CD1 4.06Å; K220-I231 HydrophobicContact CG-CD1 3.92Å; F223-I231 HydrophobicContact CB-CD1 4.32Å; F223-I231 HydrophobicContact CD1-CD1 3.41Å; F223-I231 VanDerWaalsContact CD1-CD1 3.41Å; F223-I231 HydrophobicContact CD1-CG1 3.56Å; F223-I231 HydrophobicContact CE1-CD1 3.9Å; F223-I231 HydrophobicContact CE1-CG1 3.58Å; F223-I231 HydrophobicContact CG-CD1 4.04Å; L229-I231 PolarHBondContact O-N 2.72Å; I231-R233 PolarHBondContact O-N 2.89Å; I231-L253 HydrophobicContact CB-CD2 4.48Å; I231-L253 HydrophobicContact CG1-CD2 4.03Å; I231-L253 HydrophobicContact CG2-CD2 3.75Å; I231-L256 HydrophobicContact CD1-CD1 3.65Å |
| 232 | D | 65.8 | Low | 66.9 | Low | 123 Ų | 123 | 85.4 Ų | 85.4 | 66% | 0.658 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -78.6 | -6.3 | -173.7 | -61.4 | -27.7 | 0 | 0 | 0 | 112.4 | K220 D230 | K220-D232 IonicContact NZ-OD1 3.26Å; K220-D232 PolarHBondContact NZ-OD1 2.94Å; D230-D232 PolarHBondContact O-N 3.4Å; D230-D232 PolarHBondContact OD1-N 3.38Å |
| 233 | R | 64.6 | Low | 66 | Low | 197 Ų | 197 | 81.7 Ų | 81.7 | 74% | 0.743 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -117.5 | 1.3 | -178.6 | -63 | -173.5 | -174.9 | -168 | -0 | 115.3 | D230 I231 T235 | D230-R233 HydrophobicContact CB-CB 4.27Å; D230-R233 HydrophobicContact CB-CG 4.45Å; D230-R233 PolarHBondContact O-N 3.18Å; D230-R233 VanDerWaalsContact O-N 3.13Å; D230-R233 WeakPolarHBondContact OD2-CD 3.34Å; D230-R233 WeakPolarHBondContact OD2-CG 3.28Å; D230-R233 IonicContact OD2-NE 3.75Å; D230-R233 PolarHBondContact OD2-NE 2.64Å; I231-R233 PolarHBondContact O-N 2.89Å; R233-T235 PolarHBondContact O-N 3.37Å |
| 234 | L | 64.7 | Low | 65.3 | Low | 35 Ų | 35 | 85.3 Ų | 85.3 | 18% | 0.183 | 47% | 0.468 | C | S | . | . | trans | -66.1 | 120.2 | -179.2 | -99.1 | 139.7 | 0 | 0 | 0 | 111.4 | L229 D230 Q238 L239 I242 | L229-L234 HydrophobicContact CB-CD1 4.46Å; L229-L234 HydrophobicContact CD2-CD1 4.31Å; L229-L234 HydrophobicContact CD2-CD2 4.18Å; L229-L234 HydrophobicContact CD2-CG 4.29Å; D230-L234 PolarHBondContact O-N 2.78Å; L234-Q238 HydrophobicContact CD2-CB 4.15Å; L234-L239 HydrophobicContact CD2-CB 4.33Å; L234-L239 HydrophobicContact CD2-CD1 4.29Å; L234-I242 HydrophobicContact CD2-CD1 3.68Å | ||
| 235 | T | 65.6 | Low | 64.6 | Low | 62 Ų | 62 | 88.6 Ų | 88.6 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | trans | -79.3 | 153.3 | 170.2 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | R233 E237 Q238 L239 | R233-T235 PolarHBondContact O-N 3.37Å; T235-E237 PolarHBondContact O-N 3.38Å; T235-E237 VanDerWaalsContact O-N 3.13Å; T235-Q238 VanDerWaalsContact N-OE1 3.13Å; T235-Q238 PolarHBondContact O-N 3.22Å; T235-Q238 VanDerWaalsContact OG1-CG 3.23Å; T235-Q238 WeakPolarHBondContact OG1-CG 3.42Å; T235-Q238 PolarHBondContact OG1-N 3.01Å; T235-Q238 PolarHBondContact OG1-OE1 3.39Å; T235-L239 PolarHBondContact O-N 3.27Å | ||
| 236 | P | 64.8 | Low | 64.1 | Low | 111 Ų | 111 | 83.7 Ų | 83.7 | 72% | 0.721 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -54.3 | -34.2 | 177.9 | -25.4 | 33.3 | 0 | 0 | 0 | 113.3 | S240 | P236-S240 PolarHBondContact O-N 2.98Å |
| 237 | E | 59.8 | Low | 63.9 | Low | 161 Ų | 161 | 82.2 Ų | 82.2 | 75% | 0.752 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.8 | -47.4 | 176 | -64.8 | 176.5 | 177.9 | 0 | 0 | 111.7 | T235 L239 S240 G241 | T235-E237 PolarHBondContact O-N 3.38Å; T235-E237 VanDerWaalsContact O-N 3.13Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.21Å; E237-S240 PolarHBondContact O-N 3.42Å; E237-S240 PolarHBondContact O-OG 2.77Å; E237-G241 PolarHBondContact O-N 2.81Å |
| 238 | Q | 61 | Low | 63.9 | Low | 103 Ų | 103 | 86.2 Ų | 86.2 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 174.9 | -74.8 | 171.7 | -23 | 0 | 0 | 111.5 | L234 T235 S240 G241 I242 | L234-Q238 HydrophobicContact CD2-CB 4.15Å; T235-Q238 VanDerWaalsContact N-OE1 3.13Å; T235-Q238 PolarHBondContact O-N 3.22Å; T235-Q238 VanDerWaalsContact OG1-CG 3.23Å; T235-Q238 WeakPolarHBondContact OG1-CG 3.42Å; T235-Q238 PolarHBondContact OG1-N 3.01Å; T235-Q238 PolarHBondContact OG1-OE1 3.39Å; Q238-S240 PolarHBondContact O-N 3.49Å; Q238-G241 PolarHBondContact O-N 3.31Å; Q238-I242 HydrophobicContact CB-CD1 4.35Å; Q238-I242 VanDerWaalsContact O-CD1 3.27Å; Q238-I242 WeakPolarHBondContact O-CD1 3.46Å; Q238-I242 WeakPolarHBondContact O-CG1 3.28Å; Q238-I242 PolarHBondContact O-N 2.99Å |
| 239 | L | 61.2 | Low | 64 | Low | 65 Ų | 65 | 81 Ų | 81 | 34% | 0.34 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 178.5 | -173 | 66.9 | 0 | 0 | 0 | 111.5 | L234 T235 E237 G241 I242 T243 L249 L253 | L234-L239 HydrophobicContact CD2-CB 4.33Å; L234-L239 HydrophobicContact CD2-CD1 4.29Å; T235-L239 PolarHBondContact O-N 3.27Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.21Å; L239-G241 PolarHBondContact O-N 2.9Å; L239-I242 PolarHBondContact O-N 3.45Å; L239-T243 VanDerWaalsContact O-CB 3.31Å; L239-T243 WeakPolarHBondContact O-CB 3.46Å; L239-T243 PolarHBondContact O-N 3.45Å; L239-T243 PolarHBondContact O-OG1 3.31Å; L239-L249 HydrophobicContact CD1-CD2 4.44Å; L239-L253 HydrophobicContact CD1-CD1 3.43Å; L239-L253 VanDerWaalsContact CD1-CD1 3.43Å |
| 240 | S | 61.3 | Low | 64.4 | Low | 80 Ų | 80 | 81.4 Ų | 81.4 | 56% | 0.559 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 177.7 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | P236 E237 Q238 | P236-S240 PolarHBondContact O-N 2.98Å; E237-S240 PolarHBondContact O-N 3.42Å; E237-S240 PolarHBondContact O-OG 2.77Å; Q238-S240 PolarHBondContact O-N 3.49Å |
| 241 | G | 63.6 | Low | 64.7 | Low | 41 Ų | 41 | 86 Ų | 86 | 42% | 0.423 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E237 Q238 L239 | E237-G241 PolarHBondContact O-N 2.81Å; Q238-G241 PolarHBondContact O-N 3.31Å; L239-G241 PolarHBondContact O-N 2.9Å |
| 242 | I | 60.7 | Low | 65.3 | Low | 35 Ų | 35 | 87.6 Ų | 87.6 | 18% | 0.179 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -77.5 | -33.8 | 179.8 | -58.3 | 156.3 | 0 | 0 | 0 | 111.1 | L229 L234 Q238 L239 A244 L245 N246 L249 | L229-I242 HydrophobicContact CD1-CD1 3.92Å; L229-I242 HydrophobicContact CD1-CG2 3.85Å; L229-I242 HydrophobicContact CD2-CD1 3.39Å; L229-I242 HydrophobicContact CG-CD1 4.31Å; L234-I242 HydrophobicContact CD2-CD1 3.68Å; Q238-I242 HydrophobicContact CB-CD1 4.35Å; Q238-I242 VanDerWaalsContact O-CD1 3.27Å; Q238-I242 WeakPolarHBondContact O-CD1 3.46Å; Q238-I242 WeakPolarHBondContact O-CG1 3.28Å; Q238-I242 PolarHBondContact O-N 2.99Å; L239-I242 PolarHBondContact O-N 3.45Å; I242-A244 PolarHBondContact O-N 2.96Å; I242-L245 WeakPolarHBondContact O-CB 3.36Å; I242-L245 PolarHBondContact O-N 2.91Å; I242-N246 PolarHBondContact O-N 3.33Å; I242-L249 HydrophobicContact CB-CD2 4.28Å; I242-L249 HydrophobicContact CG2-CD1 4.45Å; I242-L249 HydrophobicContact CG2-CD2 3.63Å |
| 243 | T | 60.3 | Low | 65.9 | Low | 48 Ų | 48 | 82.6 Ų | 82.6 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.9 | -32 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | L239 L245 P250 | L239-T243 VanDerWaalsContact O-CB 3.31Å; L239-T243 WeakPolarHBondContact O-CB 3.46Å; L239-T243 PolarHBondContact O-N 3.45Å; L239-T243 PolarHBondContact O-OG1 3.31Å; T243-L245 VanDerWaalsContact C-N 3.3Å; T243-L245 PolarHBondContact O-N 2.84Å; T243-P250 HydrophobicContact CG2-CG 3.37Å |
| 244 | A | 62 | Low | 66.5 | Low | 89 Ų | 89 | 75.7 Ų | 75.7 | 74% | 0.736 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -25.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I242 | I242-A244 PolarHBondContact O-N 2.96Š|
| 245 | L | 60.2 | Low | 67.3 | Low | 149 Ų | 149 | 77.6 Ų | 77.6 | 78% | 0.78 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -30 | -177.8 | -72.7 | 159.2 | 0 | 0 | 0 | 112.7 | I242 T243 | I242-L245 WeakPolarHBondContact O-CB 3.36Å; I242-L245 PolarHBondContact O-N 2.91Å; T243-L245 VanDerWaalsContact C-N 3.3Å; T243-L245 PolarHBondContact O-N 2.84Å |
| 246 | N | 64.3 | Low | 68 | Low | 57 Ų | 57 | 75.5 Ų | 75.5 | 31% | 0.305 | 44% | 0.437 | S | S | . | . | trans | -135.6 | 97.6 | 177.6 | -170.7 | -3.4 | 0 | 0 | 0 | 110.6 | I242 E248 L249 | I242-N246 PolarHBondContact O-N 3.33Å; N246-E248 PolarHBondContact O-N 2.94Å; N246-E248 PolarHBondContact OD1-N 2.97Å; N246-L249 HydrophobicContact CB-CB 4.27Å; N246-L249 WeakPolarHBondContact O-CB 3.36Å; N246-L249 PolarHBondContact O-N 3.48Å | ||
| 247 | P | 68.7 | Low | 68.8 | Low | 104 Ų | 104 | 76.3 Ų | 76.3 | 68% | 0.675 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.3 | -177.3 | 23.3 | -31.4 | 0 | 0 | 0 | 114.4 | P250 | P247-P250 WeakPolarHBondContact O-CD 3.19Š|
| 248 | E | 69.9 | Low | 69.9 | Low | 117 Ų | 117 | 75.7 Ų | 75.7 | 55% | 0.547 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -16.4 | 176.9 | -63 | -175.5 | 179.4 | 0 | 0 | 113.2 | N246 E251 Q252 | N246-E248 PolarHBondContact O-N 2.94Å; N246-E248 PolarHBondContact OD1-N 2.97Å; E248-E251 PolarHBondContact O-N 3.05Å; E248-Q252 WeakPolarHBondContact O-CG 3.28Å; E248-Q252 PolarHBondContact O-N 3.27Å; E248-Q252 VanDerWaalsContact O-N 3.13Å |
| 249 | L | 69.9 | Low | 70.9 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | -175.3 | -160.5 | 100.1 | 0 | 0 | 0 | 113.6 | F223 T227 L229 L239 I242 N246 E251 Q252 L253 | F223-L249 HydrophobicContact CE2-CD1 4.25Å; F223-L249 HydrophobicContact CZ-CD1 3.68Å; F223-L249 HydrophobicContact CZ-CG 4.16Å; T227-L249 HydrophobicContact CG2-CD1 4.15Å; L229-L249 HydrophobicContact CD1-CD1 4.47Å; L239-L249 HydrophobicContact CD1-CD2 4.44Å; I242-L249 HydrophobicContact CB-CD2 4.28Å; I242-L249 HydrophobicContact CG2-CD1 4.45Å; I242-L249 HydrophobicContact CG2-CD2 3.63Å; N246-L249 HydrophobicContact CB-CB 4.27Å; N246-L249 WeakPolarHBondContact O-CB 3.36Å; N246-L249 PolarHBondContact O-N 3.48Å; L249-E251 VanDerWaalsContact C-N 3.34Å; L249-E251 PolarHBondContact O-N 3.05Å; L249-Q252 PolarHBondContact O-N 3.39Å; L249-L253 HydrophobicContact CD2-CD1 4.03Å; L249-L253 HydrophobicContact CG-CD1 4.32Å; L249-L253 WeakPolarHBondContact O-CG 3.04Å; L249-L253 PolarHBondContact O-N 3.41Å |
| 250 | P | 72.8 | Confident | 72 | Confident | 48 Ų | 48 | 73.8 Ų | 73.8 | 31% | 0.312 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 177.2 | -20.6 | 33.2 | 0 | 0 | 0 | 113.1 | T243 P247 A254 | T243-P250 HydrophobicContact CG2-CG 3.37Å; P247-P250 WeakPolarHBondContact O-CD 3.19Å; P250-A254 WeakPolarHBondContact O-CB 3.41Å; P250-A254 PolarHBondContact O-N 3.37Å |
| 251 | E | 74.7 | Confident | 73 | Confident | 144 Ų | 144 | 75.1 Ų | 75.1 | 67% | 0.673 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68 | -40 | 177.6 | -69.6 | -169.1 | 164.4 | 0 | 0 | 111.4 | E248 L249 A254 T255 | E248-E251 PolarHBondContact O-N 3.05Å; L249-E251 VanDerWaalsContact C-N 3.34Å; L249-E251 PolarHBondContact O-N 3.05Å; E251-A254 PolarHBondContact O-N 3.35Å; E251-T255 WeakPolarHBondContact O-CB 3.43Å; E251-T255 PolarHBondContact O-N 2.86Å; E251-T255 PolarHBondContact O-OG1 2.9Å |
| 252 | Q | 76 | Confident | 73.8 | Confident | 69 Ų | 69 | 76.9 Ų | 76.9 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 176.4 | -68.8 | 177.6 | -0.2 | 0 | 0 | 111.5 | F223 E248 L249 T255 L256 | F223-Q252 HydrophobicContact CD2-CB 4.46Å; F223-Q252 HydrophobicContact CE2-CB 3.9Å; E248-Q252 WeakPolarHBondContact O-CG 3.28Å; E248-Q252 PolarHBondContact O-N 3.27Å; E248-Q252 VanDerWaalsContact O-N 3.13Å; L249-Q252 PolarHBondContact O-N 3.39Å; Q252-T255 WeakPolarHBondContact O-CB 3.3Å; Q252-T255 PolarHBondContact O-N 3.02Å; Q252-L256 WeakPolarHBondContact O-CG 3.17Å; Q252-L256 PolarHBondContact O-N 3.46Å |
| 253 | L | 77.3 | Confident | 74.8 | Confident | 18 Ų | 18 | 75.7 Ų | 75.7 | 9% | 0.094 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.3 | -72.5 | 171.3 | 0 | 0 | 0 | 111.8 | F223 I231 L239 L249 T255 L256 E257 | F223-L253 HydrophobicContact CE1-CD2 4.42Å; F223-L253 HydrophobicContact CZ-CD2 4.26Å; F223-L253 HydrophobicContact CZ-CG 4.44Å; I231-L253 HydrophobicContact CB-CD2 4.48Å; I231-L253 HydrophobicContact CG1-CD2 4.03Å; I231-L253 HydrophobicContact CG2-CD2 3.75Å; L239-L253 HydrophobicContact CD1-CD1 3.43Å; L239-L253 VanDerWaalsContact CD1-CD1 3.43Å; L249-L253 HydrophobicContact CD2-CD1 4.03Å; L249-L253 HydrophobicContact CG-CD1 4.32Å; L249-L253 WeakPolarHBondContact O-CG 3.04Å; L249-L253 PolarHBondContact O-N 3.41Å; L253-T255 PolarHBondContact O-N 2.88Å; L253-L256 PolarHBondContact O-N 2.89Å; L253-L256 VanDerWaalsContact O-N 3.13Å; L253-E257 WeakPolarHBondContact O-CG 3.23Å; L253-E257 PolarHBondContact O-N 3.27Å |
| 254 | A | 78.3 | Confident | 75.9 | Confident | 51 Ų | 51 | 77.9 Ų | 77.9 | 42% | 0.421 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.6 | -34.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | P250 E251 K258 | P250-A254 WeakPolarHBondContact O-CB 3.41Å; P250-A254 PolarHBondContact O-N 3.37Å; E251-A254 PolarHBondContact O-N 3.35Å; A254-K258 WeakPolarHBondContact O-CB 3.27Å; A254-K258 PolarHBondContact O-N 2.82Å |
| 255 | T | 81 | Confident | 77 | Confident | 75 Ų | 75 | 80.9 Ų | 80.9 | 46% | 0.46 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | E251 Q252 L253 K258 Q259 | E251-T255 WeakPolarHBondContact O-CB 3.43Å; E251-T255 PolarHBondContact O-N 2.86Å; E251-T255 PolarHBondContact O-OG1 2.9Å; Q252-T255 WeakPolarHBondContact O-CB 3.3Å; Q252-T255 PolarHBondContact O-N 3.02Å; L253-T255 PolarHBondContact O-N 2.88Å; T255-K258 PolarHBondContact O-N 3.25Å; T255-Q259 WeakPolarHBondContact O-CB 3.42Å; T255-Q259 VanDerWaalsContact O-CG 3.29Å; T255-Q259 WeakPolarHBondContact O-CG 3.41Å; T255-Q259 PolarHBondContact O-N 3.46Å |
| 256 | L | 81.2 | Confident | 78 | Confident | 19 Ų | 19 | 76 Ų | 76 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | 176.1 | -68.3 | 171 | 0 | 0 | 0 | 111.8 | L216 A219 K220 F223 I231 Q252 L253 Q259 Q260 | L216-L256 HydrophobicContact CD1-CB 4.46Å; L216-L256 HydrophobicContact CD1-CD2 3.56Å; A219-L256 HydrophobicContact CB-CD2 4.24Å; K220-L256 HydrophobicContact CG-CD1 4.5Å; K220-L256 HydrophobicContact CG-CD2 4.49Å; F223-L256 HydrophobicContact CG-CD1 4.46Å; I231-L256 HydrophobicContact CD1-CD1 3.65Å; Q252-L256 WeakPolarHBondContact O-CG 3.17Å; Q252-L256 PolarHBondContact O-N 3.46Å; L253-L256 PolarHBondContact O-N 2.89Å; L253-L256 VanDerWaalsContact O-N 3.13Å; L256-Q259 WeakPolarHBondContact O-CB 3.36Å; L256-Q259 PolarHBondContact O-N 3.22Å; L256-Q260 PolarHBondContact O-N 3.14Å |
| 257 | E | 80.6 | Confident | 78.8 | Confident | 128 Ų | 128 | 77.5 Ų | 77.5 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 173.2 | -75.5 | -176.7 | 177 | 0 | 0 | 111.4 | L253 Q259 Q260 Q261 | L253-E257 WeakPolarHBondContact O-CG 3.23Å; L253-E257 PolarHBondContact O-N 3.27Å; E257-Q259 VanDerWaalsContact C-N 3.31Å; E257-Q259 PolarHBondContact O-N 2.84Å; E257-Q260 PolarHBondContact O-N 3.11Å; E257-Q261 WeakPolarHBondContact O-CB 3.44Å; E257-Q261 WeakPolarHBondContact O-CG 3.39Å; E257-Q261 PolarHBondContact O-N 2.97Å |
| 258 | K | 82.2 | Confident | 79.5 | Confident | 147 Ų | 147 | 74.4 Ų | 74.4 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.1 | -37.5 | 175.7 | -173 | 176.9 | -178.8 | 178.9 | 0 | 111.7 | A254 T255 T262 | A254-K258 WeakPolarHBondContact O-CB 3.27Å; A254-K258 PolarHBondContact O-N 2.82Å; T255-K258 PolarHBondContact O-N 3.25Å; K258-T262 WeakPolarHBondContact O-CB 3.41Å; K258-T262 PolarHBondContact O-N 3.41Å; K258-T262 PolarHBondContact O-OG1 3.37Å |
| 259 | Q | 83.5 | Confident | 80.1 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 40% | 0.397 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 172.9 | -75.7 | 175.5 | 8.3 | 0 | 0 | 111.3 | L216 T255 L256 E257 T262 I263 | L216-Q259 HydrophobicContact CD1-CB 4.05Å; T255-Q259 WeakPolarHBondContact O-CB 3.42Å; T255-Q259 VanDerWaalsContact O-CG 3.29Å; T255-Q259 WeakPolarHBondContact O-CG 3.41Å; T255-Q259 PolarHBondContact O-N 3.46Å; L256-Q259 WeakPolarHBondContact O-CB 3.36Å; L256-Q259 PolarHBondContact O-N 3.22Å; E257-Q259 VanDerWaalsContact C-N 3.31Å; E257-Q259 PolarHBondContact O-N 2.84Å; Q259-T262 WeakPolarHBondContact O-CB 3.28Å; Q259-T262 PolarHBondContact O-N 3.3Å; Q259-I263 WeakPolarHBondContact O-CG1 3.4Å; Q259-I263 PolarHBondContact O-N 3.19Å |
| 260 | Q | 83.5 | Confident | 80.8 | Confident | 44 Ų | 44 | 76 Ų | 76 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 174.8 | -171.5 | 65 | 58.9 | 0 | 0 | 111.4 | Q213 L216 L256 E257 T262 I263 D264 | Q213-Q260 VanDerWaalsContact NE2-OE1 3.1Å; L216-Q260 HydrophobicContact CD2-CB 3.95Å; L256-Q260 PolarHBondContact O-N 3.14Å; E257-Q260 PolarHBondContact O-N 3.11Å; Q260-T262 VanDerWaalsContact C-N 3.26Å; Q260-T262 PolarHBondContact O-N 2.95Å; Q260-I263 WeakPolarHBondContact O-CB 3.19Å; Q260-I263 PolarHBondContact O-N 2.99Å; Q260-I263 VanDerWaalsContact O-N 3.09Å; Q260-D264 PolarHBondContact NE2-OD1 3.46Å; Q260-D264 VanDerWaalsContact O-CG 3.29Å; Q260-D264 PolarHBondContact O-N 3.18Å |
| 261 | Q | 81.6 | Confident | 81.5 | Confident | 108 Ų | 108 | 75.3 Ų | 75.3 | 51% | 0.505 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.9 | -39 | 174.6 | -72.8 | 178.4 | 2 | 0 | 0 | 111.7 | E257 D264 Q265 | E257-Q261 WeakPolarHBondContact O-CB 3.44Å; E257-Q261 WeakPolarHBondContact O-CG 3.39Å; E257-Q261 PolarHBondContact O-N 2.97Å; Q261-D264 PolarHBondContact O-N 2.82Å; Q261-Q265 VanDerWaalsContact O-CB 3.3Å; Q261-Q265 WeakPolarHBondContact O-CB 3.24Å; Q261-Q265 VanDerWaalsContact O-CG 3.23Å; Q261-Q265 WeakPolarHBondContact O-CG 3.41Å; Q261-Q265 PolarHBondContact O-N 3.31Å |
| 262 | T | 82.2 | Confident | 82.2 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.6 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | K258 Q259 Q260 Q265 L266 | K258-T262 WeakPolarHBondContact O-CB 3.41Å; K258-T262 PolarHBondContact O-N 3.41Å; K258-T262 PolarHBondContact O-OG1 3.37Å; Q259-T262 WeakPolarHBondContact O-CB 3.28Å; Q259-T262 PolarHBondContact O-N 3.3Å; Q260-T262 VanDerWaalsContact C-N 3.26Å; Q260-T262 PolarHBondContact O-N 2.95Å; T262-Q265 PolarHBondContact O-N 2.84Å; T262-L266 WeakPolarHBondContact O-CG 3.28Å; T262-L266 PolarHBondContact O-N 3.09Å; T262-L266 VanDerWaalsContact O-N 3.13Å |
| 263 | I | 81.8 | Confident | 83 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.4 | -66.5 | 169.3 | 0 | 0 | 0 | 110.8 | K209 Q212 L216 Q259 Q260 L266 | K209-I263 HydrophobicContact CB-CG2 4.35Å; K209-I263 WeakPolarHBondContact CE-O 3.47Å; K209-I263 HydrophobicContact CG-CG2 4.22Å; K209-I263 PolarHBondContact NZ-O 2.75Å; Q212-I263 HydrophobicContact CB-CD1 3.85Å; Q212-I263 HydrophobicContact CB-CG1 3.73Å; L216-I263 HydrophobicContact CB-CD1 4.05Å; L216-I263 HydrophobicContact CD2-CD1 3.73Å; Q259-I263 WeakPolarHBondContact O-CG1 3.4Å; Q259-I263 PolarHBondContact O-N 3.19Å; Q260-I263 WeakPolarHBondContact O-CB 3.19Å; Q260-I263 PolarHBondContact O-N 2.99Å; Q260-I263 VanDerWaalsContact O-N 3.09Å; I263-L266 WeakPolarHBondContact O-CB 3.13Å; I263-L266 WeakPolarHBondContact O-CG 3.38Å; I263-L266 PolarHBondContact O-N 3.4Å |
| 264 | D | 83 | Confident | 83.6 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | -179 | -68.5 | -24 | 0 | 0 | 0 | 111.7 | K209 Q260 Q261 L266 | K209-D264 PolarHBondContact NZ-O 3.38Å; Q260-D264 PolarHBondContact NE2-OD1 3.46Å; Q260-D264 VanDerWaalsContact O-CG 3.29Å; Q260-D264 PolarHBondContact O-N 3.18Å; Q261-D264 PolarHBondContact O-N 2.82Å; D264-L266 VanDerWaalsContact C-N 3.29Å; D264-L266 PolarHBondContact O-N 3.47Å |
| 265 | Q | 84.2 | Confident | 84.2 | Confident | 152 Ų | 152 | 71.5 Ų | 71.5 | 71% | 0.71 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -4.1 | 177.4 | -68.8 | 178 | 9.5 | 0 | 0 | 114.3 | Q261 T262 S267 | Q261-Q265 VanDerWaalsContact O-CB 3.3Å; Q261-Q265 WeakPolarHBondContact O-CB 3.24Å; Q261-Q265 VanDerWaalsContact O-CG 3.23Å; Q261-Q265 WeakPolarHBondContact O-CG 3.41Å; Q261-Q265 PolarHBondContact O-N 3.31Å; T262-Q265 PolarHBondContact O-N 2.84Å; Q265-S267 PolarHBondContact O-N 3.16Å; Q265-S267 VanDerWaalsContact O-N 3.17Å |
| 266 | L | 82 | Confident | 84.6 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 125.8 | 172.7 | -71.9 | 174.1 | 0 | 0 | 0 | 109.6 | L205 L208 K209 Q212 T262 I263 D264 | L205-L266 HydrophobicContact CD1-CB 3.81Å; L205-L266 WeakPolarHBondContact CD1-O 3.48Å; L208-L266 HydrophobicContact CD2-CD1 4Å; L208-L266 HydrophobicContact CD2-CD2 4.32Å; L208-L266 HydrophobicContact CG-CD1 4.08Å; K209-L266 HydrophobicContact CG-CB 4.48Å; K209-L266 HydrophobicContact CG-CD1 4.18Å; Q212-L266 HydrophobicContact CG-CD1 4.4Å; T262-L266 WeakPolarHBondContact O-CG 3.28Å; T262-L266 PolarHBondContact O-N 3.09Å; T262-L266 VanDerWaalsContact O-N 3.13Å; I263-L266 WeakPolarHBondContact O-CB 3.13Å; I263-L266 WeakPolarHBondContact O-CG 3.38Å; I263-L266 PolarHBondContact O-N 3.4Å; D264-L266 VanDerWaalsContact C-N 3.29Å; D264-L266 PolarHBondContact O-N 3.47Å |
| 267 | S | 81.5 | Confident | 84.8 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 152.6 | 178 | 56.9 | 0 | 0 | 0 | 0 | 111 | Q265 | Q265-S267 PolarHBondContact O-N 3.16Å; Q265-S267 VanDerWaalsContact O-N 3.17Å |
| 268 | A | 82 | Confident | 84.9 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 145.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A201 L205 K270 | A201-A268 HydrophobicContact CB-CB 4.26Å; L205-A268 HydrophobicContact CB-CB 4.41Å; L205-A268 HydrophobicContact CD2-CB 4.16Å; A268-K270 PolarHBondContact O-N 3.25Å |
| 269 | P | 83.2 | Confident | 85 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 5% | 0.045 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 138 | 178.5 | 22.7 | -32 | 0 | 0 | 0 | 111 | L23 A201 R204 Y271 | L23-P269 HydrophobicContact CB-CB 4.45Å; L23-P269 HydrophobicContact CD1-CB 4Å; L23-P269 HydrophobicContact CD1-CG 4.44Å; L23-P269 HydrophobicContact CG-CB 4.28Å; A201-P269 HydrophobicContact CB-CG 4.04Å; A201-P269 WeakPolarHBondContact O-CD 3.31Å; R204-P269 HydrophobicContact CB-CG 4.1Å; R204-P269 HydrophobicContact CG-CG 4.02Å; P269-Y271 HydrophobicContact CB-CE2 4.26Å; P269-Y271 HydrophobicContact CG-CE2 3.94Å |
| 270 | K | 84.3 | Confident | 84.7 | Confident | 145 Ų | 145 | 64.9 Ų | 64.9 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -92.8 | 122.4 | 170.2 | -68.3 | -178 | -177.5 | 174.3 | 0 | 108.9 | S22 A268 | S22-K270 PolarHBondContact N-O 2.9Å; S22-K270 PolarHBondContact OG-N 2.91Å; S22-K270 VanDerWaalsContact OG-N 3.12Å; A268-K270 PolarHBondContact O-N 3.25Å |
| 271 | Y | 88.5 | Confident | 84.7 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.3 | 175.2 | -65.3 | -76.8 | 0 | 0 | 0 | 110.5 | V19 V20 E29 L197 A201 P269 | V19-Y271 HydrophobicContact CG1-CD1 4Å; V20-Y271 WeakPolarHBondContact O-CA 3.5Å; E29-Y271 PolarHBondContact OE1-OH 3.36Å; L197-Y271 HydrophobicContact CB-CD2 3.83Å; L197-Y271 HydrophobicContact CB-CE2 4.3Å; L197-Y271 HydrophobicContact CB-CG 4.11Å; L197-Y271 HydrophobicContact CD1-CD1 4.41Å; L197-Y271 HydrophobicContact CD1-CG 4.16Å; L197-Y271 HydrophobicContact CD2-CD1 4.18Å; L197-Y271 HydrophobicContact CD2-CD2 4.38Å; L197-Y271 HydrophobicContact CD2-CE1 4.16Å; L197-Y271 HydrophobicContact CD2-CE2 4.35Å; L197-Y271 HydrophobicContact CD2-CG 4.29Å; L197-Y271 HydrophobicContact CG-CG 4.43Å; A201-Y271 HydrophobicContact CB-CD2 4.47Å; A201-Y271 HydrophobicContact CB-CE2 3.91Å; P269-Y271 HydrophobicContact CB-CE2 4.26Å; P269-Y271 HydrophobicContact CG-CE2 3.94Å |
| 272 | H | 89.1 | Confident | 84.9 | Confident | 98 Ų | 98 | 57.9 Ų | 57.9 | 45% | 0.454 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.5 | 173.7 | -62.3 | -84.6 | 0 | 0 | 0 | 108.8 | V19 V20 F274 | V19-H272 WeakPolarHBondContact CA-O 3.35Å; V20-H272 PolarHBondContact N-O 3.12Å; V20-H272 PolarHBondContact O-N 2.87Å; H272-F274 HydrophobicContact CB-CD2 4.4Å; H272-F274 HydrophobicContact CB-CE2 3.54Å; H272-F274 HydrophobicContact CB-CZ 3.66Å |
| 273 | L | 91.7 | Very high | 85 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.5 | 177.9 | -85.1 | 63.6 | 0 | 0 | 0 | 107.3 | T17 R18 V19 Q190 L193 R194 L197 | T17-L273 HydrophobicContact CG2-CB 4.04Å; T17-L273 HydrophobicContact CG2-CD2 4.39Å; T17-L273 HydrophobicContact CG2-CG 4Å; R18-L273 WeakPolarHBondContact O-CA 3.39Å; V19-L273 HydrophobicContact CG1-CD1 4.19Å; V19-L273 HydrophobicContact CG2-CD1 4.31Å; V19-L273 HydrophobicContact CG2-CG 4.15Å; Q190-L273 HydrophobicContact CB-CD2 4.21Å; Q190-L273 HydrophobicContact CG-CD2 4.39Å; Q190-L273 WeakPolarHBondContact O-CD2 3.12Å; L193-L273 HydrophobicContact CB-CD2 4.18Å; L193-L273 HydrophobicContact CD2-CD2 3.91Å; L193-L273 HydrophobicContact CD2-CG 4.49Å; L193-L273 HydrophobicContact CG-CD2 4.01Å; R194-L273 HydrophobicContact CB-CD2 4.24Å; L197-L273 HydrophobicContact CD1-CD1 3.72Å |
| 274 | F | 90.5 | Very high | 84.9 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 37% | 0.373 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117 | 178.3 | -58.5 | -83.2 | 0 | 0 | 0 | 109.1 | T17 R18 V20 H272 E278 | T17-F274 WeakPolarHBondContact CA-O 3.49Å; R18-F274 HydrophobicContact CB-CB 4.39Å; R18-F274 PolarHBondContact N-O 3.1Å; R18-F274 PolarHBondContact O-N 3.34Å; V20-F274 HydrophobicContact CB-CE2 4.06Å; V20-F274 HydrophobicContact CG2-CD2 4.18Å; V20-F274 HydrophobicContact CG2-CE2 3.85Å; H272-F274 HydrophobicContact CB-CD2 4.4Å; H272-F274 HydrophobicContact CB-CE2 3.54Å; H272-F274 HydrophobicContact CB-CZ 3.66Å; F274-E278 HydrophobicContact CD1-CB 4.48Å; F274-E278 WeakPolarHBondContact CD1-OE2 3.49Å |
| 275 | A | 91 | Very high | 85.1 | Confident | 9 Ų | 9 | 53 Ų | 53 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 163.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111 | L186 Q190 S277 E278 | L186-A275 HydrophobicContact CD2-CB 3.95Å; Q190-A275 VanDerWaalsContact NE2-CA 3.3Å; A275-S277 WeakPolarHBondContact CB-OG 3.08Å; A275-S277 PolarHBondContact O-N 2.91Å; A275-E278 PolarHBondContact N-OE1 2.95Å; A275-E278 VanDerWaalsContact N-OE1 3.14Å; A275-E278 WeakPolarHBondContact O-CB 3.33Å; A275-E278 PolarHBondContact O-N 3.5Å |
| 276 | R | 90.2 | Very high | 85.1 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 11% | 0.109 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -55 | -34.4 | 168.8 | -65.8 | -173.1 | -171.7 | 143.7 | 3 | 112.5 | L14 A15 D16 Y182 E278 N279 Y282 | L14-R276 HydrophobicContact CD2-CG 4.5Å; L14-R276 PolarHBondContact O-NH2 2.93Å; A15-R276 WeakPolarHBondContact O-CG 3.43Å; A15-R276 PolarHBondContact O-NE 3.01Å; D16-R276 PolarHBondContact O-N 3.46Å; D16-R276 IonicContact OD1-CZ 2.67Å; D16-R276 IonicContact OD1-NE 3.59Å; D16-R276 IonicContact OD1-NH1 2.79Å; D16-R276 PolarHBondContact OD1-NH1 2.96Å; D16-R276 IonicContact OD1-NH2 3.48Å; D16-R276 PolarHBondContact OD1-NH2 3.43Å; Y182-R276 PolarHBondContact OH-NE 3.47Å; Y182-R276 PolarHBondContact OH-NH1 3.42Å; R276-E278 PolarHBondContact O-N 2.96Å; R276-N279 VanDerWaalsContact O-CB 3.27Å; R276-N279 WeakPolarHBondContact O-CB 3.23Å; R276-N279 PolarHBondContact O-N 3.09Å; R276-Y282 HydrophobicContact CB-CD1 4.09Å; R276-Y282 HydrophobicContact CB-CD2 3.9Å; R276-Y282 HydrophobicContact CB-CE1 4Å; R276-Y282 HydrophobicContact CB-CE2 3.82Å; R276-Y282 HydrophobicContact CB-CG 4.03Å; R276-Y282 HydrophobicContact CG-CE2 4.5Å; R276-Y282 VanDerWaalsContact O-CB 3.23Å; R276-Y282 WeakPolarHBondContact O-CB 3.25Å; R276-Y282 VanDerWaalsContact O-CD1 3.3Å; R276-Y282 WeakPolarHBondContact O-CD1 3.44Å |
| 277 | S | 84.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -63.6 | -19.8 | 177.3 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | A275 N279 | A275-S277 WeakPolarHBondContact CB-OG 3.08Å; A275-S277 PolarHBondContact O-N 2.91Å; S277-N279 VanDerWaalsContact C-N 3.31Å |
| 278 | E | 83 | Confident | 85.1 | Confident | 99 Ų | 99 | 45.1 Ų | 45.1 | 46% | 0.463 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -85.5 | -8.1 | 175.8 | -65.9 | 171.2 | -127.8 | 0 | 0 | 112.1 | F274 A275 R276 P280 | F274-E278 HydrophobicContact CD1-CB 4.48Å; F274-E278 WeakPolarHBondContact CD1-OE2 3.49Å; A275-E278 PolarHBondContact N-OE1 2.95Å; A275-E278 VanDerWaalsContact N-OE1 3.14Å; A275-E278 WeakPolarHBondContact O-CB 3.33Å; A275-E278 PolarHBondContact O-N 3.5Å; R276-E278 PolarHBondContact O-N 2.96Å; E278-P280 WeakPolarHBondContact O-CD 3.25Å |
| 279 | N | 83.4 | Confident | 85.3 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -78 | 117.3 | 167.3 | -176.9 | -17.4 | 0 | 0 | 0 | 108.9 | E129 R276 S277 G281 Y282 S283 | E129-N279 PolarHBondContact O-ND2 2.93Å; R276-N279 VanDerWaalsContact O-CB 3.27Å; R276-N279 WeakPolarHBondContact O-CB 3.23Å; R276-N279 PolarHBondContact O-N 3.09Å; S277-N279 VanDerWaalsContact C-N 3.31Å; N279-G281 PolarHBondContact O-N 3.44Å; N279-G281 PolarHBondContact OD1-N 2.9Å; N279-G281 VanDerWaalsContact OD1-N 3.14Å; N279-Y282 WeakPolarHBondContact O-CB 3.44Å; N279-Y282 PolarHBondContact O-N 3.21Å; N279-S283 PolarHBondContact O-N 2.79Å; N279-S283 VanDerWaalsContact O-N 3.12Å; N279-S283 PolarHBondContact O-OG 3.43Å |
| 280 | P | 78.3 | Confident | 85.4 | Confident | 87 Ų | 87 | 45.7 Ų | 45.7 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -53 | -40.9 | -178.3 | -27.5 | 35.7 | 0 | 0 | 0 | 113.3 | E278 Y282 S283 E284 | E278-P280 WeakPolarHBondContact O-CD 3.25Å; P280-Y282 VanDerWaalsContact C-N 3.3Å; P280-Y282 PolarHBondContact O-N 3.45Å; P280-S283 PolarHBondContact O-N 3.48Å; P280-S283 PolarHBondContact O-OG 2.84Å; P280-E284 WeakPolarHBondContact O-CB 3.48Å; P280-E284 PolarHBondContact O-N 2.86Å |
| 281 | G | 82.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.6 | -25.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | E132 N279 F285 | E132-G281 WeakPolarHBondContact OE1-CA 3.09Å; E132-G281 PolarHBondContact OE1-N 3.43Å; N279-G281 PolarHBondContact O-N 3.44Å; N279-G281 PolarHBondContact OD1-N 2.9Å; N279-G281 VanDerWaalsContact OD1-N 3.14Å; G281-F285 WeakPolarHBondContact O-CB 3.39Å; G281-F285 PolarHBondContact O-N 3.3Å |
| 282 | Y | 87.4 | Confident | 85 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -76.3 | -47.4 | 174.6 | 178.4 | -85.4 | 0 | 0 | 0 | 110.9 | Y9 I131 A177 Y178 E183 R276 N279 P280 K286 | Y9-Y282 HydrophobicContact CD2-CE2 4.09Å; Y9-Y282 AromaticContact CE2-CD2 3.66Å; Y9-Y282 HydrophobicContact CE2-CD2 3.66Å; Y9-Y282 AromaticContact CE2-CE2 3.53Å; Y9-Y282 HydrophobicContact CE2-CE2 3.53Å; I131-Y282 HydrophobicContact CD1-CD2 4.08Å; I131-Y282 HydrophobicContact CD1-CG 4.32Å; A177-Y282 HydrophobicContact CB-CE2 4.4Å; Y178-Y282 HydrophobicContact CD1-CD1 4.25Å; Y178-Y282 AromaticContact CD1-CE1 3.55Å; Y178-Y282 HydrophobicContact CD1-CE1 3.55Å; Y178-Y282 HydrophobicContact CD1-CE2 4.03Å; Y178-Y282 AromaticContact CD1-CZ 3.41Å; Y178-Y282 VanDerWaalsContact CD1-CZ 3.41Å; Y178-Y282 WeakPolarHBondContact CD1-OH 3.3Å; Y178-Y282 AromaticContact CE1-CD1 3.57Å; Y178-Y282 HydrophobicContact CE1-CD1 3.57Å; Y178-Y282 AromaticContact CE1-CD2 3.7Å; Y178-Y282 HydrophobicContact CE1-CD2 3.7Å; Y178-Y282 AromaticContact CE1-CE1 3.29Å; Y178-Y282 HydrophobicContact CE1-CE1 3.29Å; Y178-Y282 AromaticContact CE1-CE2 3.41Å; Y178-Y282 HydrophobicContact CE1-CE2 3.41Å; Y178-Y282 VanDerWaalsContact CE1-CE2 3.41Å; Y178-Y282 AromaticContact CE1-CG 3.79Å; Y178-Y282 HydrophobicContact CE1-CG 3.79Å; Y178-Y282 AromaticContact CE1-CZ 3.21Å; Y178-Y282 WeakPolarHBondContact CE1-O 3.43Å; Y178-Y282 HydrophobicContact CE2-CE2 4.05Å; Y178-Y282 AromaticContact CZ-CD2 3.64Å; Y178-Y282 AromaticContact CZ-CE2 3.43Å; Y178-Y282 VanDerWaalsContact CZ-CE2 3.43Å; Y178-Y282 AromaticContact CZ-CZ 3.74Å; Y178-Y282 PolarHBondContact N-OH 2.86Å; Y178-Y282 VanDerWaalsContact N-OH 3.13Å; Y178-Y282 WeakPolarHBondContact OH-CD2 3.37Å; Y178-Y282 PolarHBondContact OH-O 3.4Å; E183-Y282 PolarHBondContact OE1-OH 3.37Å; R276-Y282 HydrophobicContact CB-CD1 4.09Å; R276-Y282 HydrophobicContact CB-CD2 3.9Å; R276-Y282 HydrophobicContact CB-CE1 4Å; R276-Y282 HydrophobicContact CB-CE2 3.82Å; R276-Y282 HydrophobicContact CB-CG 4.03Å; R276-Y282 HydrophobicContact CG-CE2 4.5Å; R276-Y282 VanDerWaalsContact O-CB 3.23Å; R276-Y282 WeakPolarHBondContact O-CB 3.25Å; R276-Y282 VanDerWaalsContact O-CD1 3.3Å; R276-Y282 WeakPolarHBondContact O-CD1 3.44Å; N279-Y282 WeakPolarHBondContact O-CB 3.44Å; N279-Y282 PolarHBondContact O-N 3.21Å; P280-Y282 VanDerWaalsContact C-N 3.3Å; P280-Y282 PolarHBondContact O-N 3.45Å; Y282-K286 PolarHBondContact O-N 3.43Å |
| 283 | S | 83.2 | Confident | 84.8 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 26% | 0.259 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 178.8 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | N279 P280 F285 K286 D287 | N279-S283 PolarHBondContact O-N 2.79Å; N279-S283 VanDerWaalsContact O-N 3.12Å; N279-S283 PolarHBondContact O-OG 3.43Å; P280-S283 PolarHBondContact O-N 3.48Å; P280-S283 PolarHBondContact O-OG 2.84Å; S283-F285 VanDerWaalsContact C-N 3.34Å; S283-F285 PolarHBondContact O-N 2.82Å; S283-K286 WeakPolarHBondContact O-CA 3.47Å; S283-K286 WeakPolarHBondContact O-CB 3.33Å; S283-K286 PolarHBondContact O-N 2.79Å; S283-D287 PolarHBondContact O-N 3.47Å |
| 284 | E | 80.5 | Confident | 84.3 | Confident | 38 Ų | 38 | 39.5 Ų | 39.5 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 179.4 | -165.4 | -159.3 | -156.5 | 0 | 0 | 111.5 | P280 K286 D287 N288 Y378 T692 | P280-E284 WeakPolarHBondContact O-CB 3.48Å; P280-E284 PolarHBondContact O-N 2.86Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 3.46Å; E284-D287 PolarHBondContact O-N 3.08Å; E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.43Å; E284-N288 PolarHBondContact O-N 3.4Å; E284-N288 PolarHBondContact O-ND2 2.72Å; E284-Y378 PolarHBondContact OE2-OH 3.09Å; E284-T692 PolarHBondContact OE1-OG1 3.21Å |
| 285 | F | 85.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 175.1 | -174.2 | -94.9 | 0 | 0 | 0 | 112.2 | M1 L2 A5 Y178 G281 S283 A289 Y378 L380 | M1-F285 HydrophobicContact CB-CE1 4.29Å; M1-F285 HydrophobicContact CB-CZ 3.97Å; L2-F285 HydrophobicContact CD2-CD1 4.26Å; L2-F285 HydrophobicContact CD2-CE1 4.2Å; A5-F285 HydrophobicContact CB-CD1 4.04Å; A5-F285 HydrophobicContact CB-CE1 3.51Å; A5-F285 HydrophobicContact CB-CZ 4.15Å; Y178-F285 HydrophobicContact CE2-CD1 4.37Å; G281-F285 WeakPolarHBondContact O-CB 3.39Å; G281-F285 PolarHBondContact O-N 3.3Å; S283-F285 VanDerWaalsContact C-N 3.34Å; S283-F285 PolarHBondContact O-N 2.82Å; F285-A289 WeakPolarHBondContact O-CB 3.43Å; F285-A289 PolarHBondContact O-N 3.42Å; F285-Y378 HydrophobicContact CB-CE1 4.25Å; F285-Y378 HydrophobicContact CD2-CD1 4.11Å; F285-Y378 AromaticContact CD2-CD2 3.62Å; F285-Y378 HydrophobicContact CD2-CD2 3.62Å; F285-Y378 HydrophobicContact CD2-CE1 4.19Å; F285-Y378 AromaticContact CD2-CE2 3.74Å; F285-Y378 HydrophobicContact CD2-CE2 3.74Å; F285-Y378 AromaticContact CD2-CG 3.82Å; F285-Y378 HydrophobicContact CD2-CG 3.82Å; F285-Y378 AromaticContact CE2-CD2 3.94Å; F285-Y378 HydrophobicContact CE2-CD2 3.94Å; F285-Y378 HydrophobicContact CE2-CE2 4.34Å; F285-Y378 HydrophobicContact CE2-CG 4.29Å; F285-L380 HydrophobicContact CD2-CD1 4.22Å; F285-L380 HydrophobicContact CE1-CD1 4.27Å; F285-L380 HydrophobicContact CE2-CD1 3.42Å; F285-L380 VanDerWaalsContact CE2-CD1 3.42Å; F285-L380 HydrophobicContact CZ-CD1 3.45Å; F285-L380 VanDerWaalsContact CZ-CD1 3.45Å |
| 286 | K | 85.5 | Confident | 83.5 | Confident | 58 Ų | 58 | 38 Ų | 38 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.9 | -50.7 | 174.9 | -176.4 | -173.9 | 163.7 | 50.9 | 0 | 110.8 | Y178 Y282 S283 E284 N288 A289 D290 | Y178-K286 HydrophobicContact CD1-CB 3.67Å; Y178-K286 HydrophobicContact CD1-CD 3.92Å; Y178-K286 HydrophobicContact CD1-CG 3.88Å; Y178-K286 HydrophobicContact CE1-CB 3.72Å; Y178-K286 HydrophobicContact CE1-CG 4.43Å; Y282-K286 PolarHBondContact O-N 3.43Å; S283-K286 WeakPolarHBondContact O-CA 3.47Å; S283-K286 WeakPolarHBondContact O-CB 3.33Å; S283-K286 PolarHBondContact O-N 2.79Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 3.46Å; K286-N288 VanDerWaalsContact C-N 3.26Å; K286-N288 PolarHBondContact O-N 3.22Å; K286-A289 CarbonylContact O-C 3.5Å; K286-A289 WeakPolarHBondContact O-CA 3.4Å; K286-A289 WeakPolarHBondContact O-CB 3.26Å; K286-A289 PolarHBondContact O-N 3.42Å; K286-D290 WeakPolarHBondContact CE-OD2 3.14Å; K286-D290 IonicContact NZ-OD2 2.76Å; K286-D290 PolarHBondContact NZ-OD2 3.02Å; K286-D290 WeakPolarHBondContact O-CB 3.37Å; K286-D290 PolarHBondContact O-N 2.98Å |
| 287 | D | 81.8 | Confident | 83.1 | Confident | 63 Ų | 63 | 39.6 Ų | 39.6 | 34% | 0.337 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.6 | -40.6 | -178.3 | -70 | -8.4 | 0 | 0 | 0 | 111 | S283 E284 D290 R291 L779 | S283-D287 PolarHBondContact O-N 3.47Å; E284-D287 PolarHBondContact O-N 3.08Å; D287-D290 PolarHBondContact O-N 3.4Å; D287-R291 VanDerWaalsContact O-CG 3.26Å; D287-R291 WeakPolarHBondContact O-CG 3.39Å; D287-R291 PolarHBondContact O-N 3.3Å; D287-L779 HydrophobicContact CB-CD1 4.03Å |
| 288 | N | 82.2 | Confident | 82.8 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 174.3 | -79.6 | -26.7 | 0 | 0 | 0 | 112.1 | E284 K286 D290 R291 I292 Y374 Y378 | E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.43Å; E284-N288 PolarHBondContact O-N 3.4Å; E284-N288 PolarHBondContact O-ND2 2.72Å; K286-N288 VanDerWaalsContact C-N 3.26Å; K286-N288 PolarHBondContact O-N 3.22Å; N288-D290 VanDerWaalsContact C-N 3.32Å; N288-D290 PolarHBondContact O-N 2.83Å; N288-R291 PolarHBondContact O-N 3.31Å; N288-I292 WeakPolarHBondContact O-CD1 3.32Å; N288-I292 VanDerWaalsContact O-CG1 3.25Å; N288-I292 WeakPolarHBondContact O-CG1 3.33Å; N288-I292 PolarHBondContact O-N 3.06Å; N288-I292 VanDerWaalsContact O-N 3.07Å; N288-Y374 HydrophobicContact CB-CE1 3.82Å; N288-Y378 PolarHBondContact ND2-OH 3.44Å |
| 289 | A | 85.8 | Confident | 82.7 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 L2 F285 K286 I292 S293 | M1-A289 HydrophobicContact CB-CB 4.32Å; M1-A289 HydrophobicContact CE-CB 3.91Å; L2-A289 HydrophobicContact CD2-CB 3.63Å; L2-A289 HydrophobicContact CG-CB 3.89Å; F285-A289 WeakPolarHBondContact O-CB 3.43Å; F285-A289 PolarHBondContact O-N 3.42Å; K286-A289 CarbonylContact O-C 3.5Å; K286-A289 WeakPolarHBondContact O-CA 3.4Å; K286-A289 WeakPolarHBondContact O-CB 3.26Å; K286-A289 PolarHBondContact O-N 3.42Å; A289-I292 PolarHBondContact O-N 2.98Å; A289-S293 WeakPolarHBondContact O-CB 3.22Å; A289-S293 PolarHBondContact O-N 3.07Å |
| 290 | D | 84 | Confident | 82.8 | Confident | 50 Ų | 50 | 33.6 Ų | 33.6 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.6 | -41.2 | 178.3 | -71.2 | -17 | 0 | 0 | 0 | 110.6 | K286 D287 N288 I292 S293 S294 | K286-D290 WeakPolarHBondContact CE-OD2 3.14Å; K286-D290 IonicContact NZ-OD2 2.76Å; K286-D290 PolarHBondContact NZ-OD2 3.02Å; K286-D290 WeakPolarHBondContact O-CB 3.37Å; K286-D290 PolarHBondContact O-N 2.98Å; D287-D290 PolarHBondContact O-N 3.4Å; N288-D290 VanDerWaalsContact C-N 3.32Å; N288-D290 PolarHBondContact O-N 2.83Å; D290-I292 VanDerWaalsContact C-N 3.33Å; D290-I292 PolarHBondContact O-N 3.31Å; D290-S293 WeakPolarHBondContact O-CB 3.3Å; D290-S293 PolarHBondContact O-N 3.15Å; D290-S293 VanDerWaalsContact O-N 3.13Å; D290-S294 PolarHBondContact O-N 3.39Å; D290-S294 PolarHBondContact O-OG 3.33Å |
| 291 | R | 81 | Confident | 83.2 | Confident | 34 Ų | 34 | 38.7 Ų | 38.7 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -44.3 | 171.6 | -72.5 | 171.7 | -154.8 | -131.1 | 3.6 | 112.3 | D287 N288 S293 S294 L295 L779 | D287-R291 VanDerWaalsContact O-CG 3.26Å; D287-R291 WeakPolarHBondContact O-CG 3.39Å; D287-R291 PolarHBondContact O-N 3.3Å; N288-R291 PolarHBondContact O-N 3.31Å; R291-S293 VanDerWaalsContact C-N 3.33Å; R291-S294 PolarHBondContact O-N 2.85Å; R291-L295 WeakPolarHBondContact O-CG 3.45Å; R291-L295 PolarHBondContact O-N 2.84Å; R291-L779 HydrophobicContact CG-CD1 3.82Å; R291-L779 HydrophobicContact CG-CD2 4.47Å; R291-L779 HydrophobicContact CG-CG 4.02Å |
| 292 | I | 83.6 | Confident | 83.3 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 9% | 0.092 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.8 | -68.7 | 166.9 | 0 | 0 | 0 | 110.6 | M1 N288 A289 D290 S294 L295 A296 I370 Y374 I699 | M1-I292 HydrophobicContact CE-CB 3.87Å; M1-I292 HydrophobicContact CE-CD1 3.49Å; M1-I292 VanDerWaalsContact CE-CD1 3.49Å; M1-I292 HydrophobicContact CE-CG1 4.25Å; M1-I292 HydrophobicContact CE-CG2 3.8Å; M1-I292 HydrophobicContact SD-CD1 3.65Å; N288-I292 WeakPolarHBondContact O-CD1 3.32Å; N288-I292 VanDerWaalsContact O-CG1 3.25Å; N288-I292 WeakPolarHBondContact O-CG1 3.33Å; N288-I292 PolarHBondContact O-N 3.06Å; N288-I292 VanDerWaalsContact O-N 3.07Å; A289-I292 PolarHBondContact O-N 2.98Å; D290-I292 VanDerWaalsContact C-N 3.33Å; D290-I292 PolarHBondContact O-N 3.31Å; I292-S294 VanDerWaalsContact C-N 3.35Å; I292-L295 PolarHBondContact O-N 2.84Å; I292-A296 VanDerWaalsContact O-CB 3.28Å; I292-A296 WeakPolarHBondContact O-CB 2.99Å; I292-A296 PolarHBondContact O-N 3.38Å; I292-I370 HydrophobicContact CD1-CG2 4.4Å; I292-Y374 HydrophobicContact CD1-CD2 4.33Å; I292-Y374 HydrophobicContact CD1-CE1 4.26Å; I292-Y374 HydrophobicContact CD1-CE2 3.87Å; I292-I699 HydrophobicContact CD1-CD1 3.61Å; I292-I699 HydrophobicContact CG1-CD1 3.51Å |
| 293 | S | 84.5 | Confident | 83.3 | Confident | 74 Ų | 74 | 42.3 Ų | 42.3 | 52% | 0.517 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.1 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | A289 D290 R291 A296 S297 | A289-S293 WeakPolarHBondContact O-CB 3.22Å; A289-S293 PolarHBondContact O-N 3.07Å; D290-S293 WeakPolarHBondContact O-CB 3.3Å; D290-S293 PolarHBondContact O-N 3.15Å; D290-S293 VanDerWaalsContact O-N 3.13Å; R291-S293 VanDerWaalsContact C-N 3.33Å; S293-A296 PolarHBondContact O-N 2.83Å; S293-S297 WeakPolarHBondContact O-CB 3.44Å; S293-S297 PolarHBondContact O-N 3.1Å |
| 294 | S | 82.4 | Confident | 83.5 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | D290 R291 I292 A296 S297 | D290-S294 PolarHBondContact O-N 3.39Å; D290-S294 PolarHBondContact O-OG 3.33Å; R291-S294 PolarHBondContact O-N 2.85Å; I292-S294 VanDerWaalsContact C-N 3.35Å; S294-A296 VanDerWaalsContact C-N 3.34Å; S294-A296 PolarHBondContact O-N 3.21Å; S294-S297 PolarHBondContact O-N 3.44Å; S294-S297 VanDerWaalsContact O-N 3.17Å; S294-S297 PolarHBondContact O-OG 2.82Å |
| 295 | L | 81.5 | Confident | 83.9 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 174.1 | -76.5 | 161.8 | 0 | 0 | 0 | 112.1 | R291 I292 S297 F299 L484 M700 I773 V777 | R291-L295 WeakPolarHBondContact O-CG 3.45Å; R291-L295 PolarHBondContact O-N 2.84Å; I292-L295 PolarHBondContact O-N 2.84Å; L295-S297 PolarHBondContact O-N 2.82Å; L295-F299 VanDerWaalsContact O-CB 3.31Å; L295-F299 WeakPolarHBondContact O-CB 3.44Å; L295-F299 PolarHBondContact O-N 3.29Å; L295-L484 HydrophobicContact CD2-CD1 3.76Å; L295-L484 HydrophobicContact CD2-CD2 4.44Å; L295-M700 HydrophobicContact CD1-CE 3.52Å; L295-M700 HydrophobicContact CD2-CE 3.99Å; L295-M700 HydrophobicContact CG-CE 4.41Å; L295-I773 HydrophobicContact CD2-CG2 4.4Å; L295-V777 HydrophobicContact CD2-CG1 4.3Å; L295-V777 HydrophobicContact CD2-CG2 3.64Å; L295-V777 HydrophobicContact CG-CG1 4.1Å; L295-V777 HydrophobicContact CG-CG2 3.78Å |
| 296 | A | 81.9 | Confident | 84.1 | Confident | 58 Ų | 58 | 49.2 Ų | 49.2 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71 | -15.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I292 S293 S294 P300 | I292-A296 VanDerWaalsContact O-CB 3.28Å; I292-A296 WeakPolarHBondContact O-CB 2.99Å; I292-A296 PolarHBondContact O-N 3.38Å; S293-A296 PolarHBondContact O-N 2.83Å; S294-A296 VanDerWaalsContact C-N 3.34Å; S294-A296 PolarHBondContact O-N 3.21Å; A296-P300 WeakPolarHBondContact O-CD 3.43Å; A296-P300 WeakPolarHBondContact O-CG 3.28Å |
| 297 | S | 81.8 | Confident | 84.2 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -82 | -37.6 | -177.8 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | S293 S294 L295 W301 | S293-S297 WeakPolarHBondContact O-CB 3.44Å; S293-S297 PolarHBondContact O-N 3.1Å; S294-S297 PolarHBondContact O-N 3.44Å; S294-S297 VanDerWaalsContact O-N 3.17Å; S294-S297 PolarHBondContact O-OG 2.82Å; L295-S297 PolarHBondContact O-N 2.82Å; S297-W301 PolarHBondContact O-NE1 2.76Å |
| 298 | V | 80 | Confident | 84.5 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.109 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -93.9 | -42.6 | -174.7 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | W301 Y772 I773 T776 | V298-W301 WeakPolarHBondContact O-CB 3Å; V298-W301 PolarHBondContact O-N 3.28Å; V298-W301 VanDerWaalsContact O-N 3.17Å; V298-Y772 HydrophobicContact CG1-CD1 3.92Å; V298-Y772 HydrophobicContact CG1-CE1 3.65Å; V298-I773 HydrophobicContact CB-CG1 4.33Å; V298-I773 HydrophobicContact CG1-CD1 4.49Å; V298-I773 HydrophobicContact CG1-CG1 3.73Å; V298-T776 HydrophobicContact CG2-CG2 4.15Å |
| 299 | F | 80.8 | Confident | 84.8 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 4% | 0.044 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.8 | -40.5 | -172.7 | -169.5 | -99.7 | 0 | 0 | 0 | 114.6 | L295 W301 I302 F303 M477 L703 | L295-F299 VanDerWaalsContact O-CB 3.31Å; L295-F299 WeakPolarHBondContact O-CB 3.44Å; L295-F299 PolarHBondContact O-N 3.29Å; F299-W301 VanDerWaalsContact C-N 3.28Å; F299-W301 PolarHBondContact O-N 2.99Å; F299-I302 PolarHBondContact O-N 3.16Å; F299-F303 AromaticContact CD1-CD2 3.88Å; F299-F303 HydrophobicContact CD1-CD2 3.88Å; F299-F303 AromaticContact CD1-CE2 3.82Å; F299-F303 HydrophobicContact CD1-CE2 3.82Å; F299-F303 AromaticContact CE1-CD2 3.66Å; F299-F303 HydrophobicContact CE1-CD2 3.66Å; F299-F303 AromaticContact CE1-CE2 3.09Å; F299-F303 HydrophobicContact CE1-CE2 3.09Å; F299-F303 HydrophobicContact CE1-CZ 4Å; F299-F303 HydrophobicContact CZ-CD2 4.31Å; F299-F303 AromaticContact CZ-CE2 3.53Å; F299-F303 HydrophobicContact CZ-CE2 3.53Å; F299-F303 HydrophobicContact CZ-CZ 4.43Å; F299-M477 HydrophobicContact CD1-CE 4.31Å; F299-M477 HydrophobicContact CD2-CE 3.97Å; F299-M477 HydrophobicContact CE1-CE 4.18Å; F299-M477 HydrophobicContact CE2-CE 3.79Å; F299-M477 HydrophobicContact CG-CE 4.24Å; F299-M477 HydrophobicContact CZ-CE 3.92Å; F299-M477 WeakPolarHBondContact O-CE 3.38Å; F299-L703 HydrophobicContact CD1-CD2 3.63Å; F299-L703 HydrophobicContact CE1-CB 4.06Å; F299-L703 HydrophobicContact CE1-CD2 3.5Å; F299-L703 VanDerWaalsContact CE1-CD2 3.5Å; F299-L703 HydrophobicContact CE1-CG 4.28Å; F299-L703 HydrophobicContact CE2-CB 4.44Å; F299-L703 HydrophobicContact CG-CD2 4.27Å; F299-L703 HydrophobicContact CZ-CB 3.83Å; F299-L703 HydrophobicContact CZ-CD2 4.11Å; F299-L703 HydrophobicContact CZ-CG 4.42Å |
| 300 | P | 84.8 | Confident | 85 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 29% | 0.292 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -24.9 | 178.9 | -25.8 | 37.4 | 0 | 0 | 0 | 115.1 | A296 I302 F303 F304 | A296-P300 WeakPolarHBondContact O-CD 3.43Å; A296-P300 WeakPolarHBondContact O-CG 3.28Å; P300-I302 VanDerWaalsContact C-N 3.28Å; P300-I302 PolarHBondContact O-N 3.41Å; P300-F303 WeakPolarHBondContact O-CB 3.39Å; P300-F303 PolarHBondContact O-N 2.8Å; P300-F304 HydrophobicContact CB-CD2 4.27Å; P300-F304 HydrophobicContact CB-CE2 3.95Å; P300-F304 WeakPolarHBondContact O-CD2 3.09Å; P300-F304 WeakPolarHBondContact O-CG 3.39Å; P300-F304 PolarHBondContact O-N 3.18Å |
| 301 | W | 85.8 | Confident | 85.2 | Confident | 194 Ų | 194 | 48.1 Ų | 48.1 | 74% | 0.735 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | -179.5 | -77.8 | 102.3 | 0 | 0 | 0 | 112.3 | S297 V298 F299 F304 L305 | S297-W301 PolarHBondContact O-NE1 2.76Å; V298-W301 WeakPolarHBondContact O-CB 3Å; V298-W301 PolarHBondContact O-N 3.28Å; V298-W301 VanDerWaalsContact O-N 3.17Å; F299-W301 VanDerWaalsContact C-N 3.28Å; F299-W301 PolarHBondContact O-N 2.99Å; W301-F304 PolarHBondContact O-N 3.01Å; W301-L305 WeakPolarHBondContact O-CB 3.22Å; W301-L305 PolarHBondContact O-N 2.74Å |
| 302 | I | 85.4 | Confident | 85.6 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.6 | -39.1 | -179.9 | -61.3 | 174.2 | 0 | 0 | 0 | 109.9 | F299 P300 F304 L305 I306 M477 E769 | F299-I302 PolarHBondContact O-N 3.16Å; P300-I302 VanDerWaalsContact C-N 3.28Å; P300-I302 PolarHBondContact O-N 3.41Å; I302-F304 PolarHBondContact O-N 3.47Å; I302-L305 PolarHBondContact O-N 3.44Å; I302-I306 HydrophobicContact CG2-CD1 3.91Å; I302-I306 WeakPolarHBondContact O-CG1 3.25Å; I302-I306 PolarHBondContact O-N 2.87Å; I302-M477 HydrophobicContact CB-CE 3.58Å; I302-M477 HydrophobicContact CB-SD 4.27Å; I302-M477 HydrophobicContact CG2-CE 3.62Å; I302-M477 HydrophobicContact CG2-CG 3.88Å; I302-M477 HydrophobicContact CG2-SD 3.76Å; I302-E769 HydrophobicContact CD1-CB 4.49Å; I302-E769 HydrophobicContact CD1-CG 3.41Å; I302-E769 VanDerWaalsContact CD1-CG 3.41Å; I302-E769 WeakPolarHBondContact CD1-OE1 3.47Å |
| 303 | F | 86.2 | Confident | 85.7 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 18% | 0.184 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.7 | -51 | 168.6 | -97.3 | -96.8 | 0 | 0 | 0 | 111.6 | F299 P300 L305 I306 A307 M477 A707 L710 | F299-F303 AromaticContact CD1-CD2 3.88Å; F299-F303 HydrophobicContact CD1-CD2 3.88Å; F299-F303 AromaticContact CD1-CE2 3.82Å; F299-F303 HydrophobicContact CD1-CE2 3.82Å; F299-F303 AromaticContact CE1-CD2 3.66Å; F299-F303 HydrophobicContact CE1-CD2 3.66Å; F299-F303 AromaticContact CE1-CE2 3.09Å; F299-F303 HydrophobicContact CE1-CE2 3.09Å; F299-F303 HydrophobicContact CE1-CZ 4Å; F299-F303 HydrophobicContact CZ-CD2 4.31Å; F299-F303 AromaticContact CZ-CE2 3.53Å; F299-F303 HydrophobicContact CZ-CE2 3.53Å; F299-F303 HydrophobicContact CZ-CZ 4.43Å; P300-F303 WeakPolarHBondContact O-CB 3.39Å; P300-F303 PolarHBondContact O-N 2.8Å; F303-L305 PolarHBondContact O-N 3.36Å; F303-I306 PolarHBondContact O-N 3.02Å; F303-A307 WeakPolarHBondContact O-CB 3.29Å; F303-A307 PolarHBondContact O-N 3.15Å; F303-M477 HydrophobicContact CD2-CE 3.14Å; F303-M477 HydrophobicContact CD2-SD 3.28Å; F303-M477 WeakPolarHBondContact CD2-SD 3.36Å; F303-M477 HydrophobicContact CE2-CE 3.35Å; F303-M477 HydrophobicContact CE2-SD 3.28Å; F303-M477 WeakPolarHBondContact CE2-SD 3.44Å; F303-M477 HydrophobicContact CG-CE 4.21Å; F303-M477 HydrophobicContact CG-SD 3.98Å; F303-M477 HydrophobicContact CZ-SD 4.11Å; F303-A707 HydrophobicContact CZ-CB 4.21Å; F303-L710 HydrophobicContact CD1-CB 4.39Å; F303-L710 HydrophobicContact CD1-CD1 4.38Å; F303-L710 HydrophobicContact CD1-CD2 3.64Å; F303-L710 HydrophobicContact CD1-CG 4.34Å; F303-L710 HydrophobicContact CE1-CB 3.71Å; F303-L710 HydrophobicContact CE1-CD1 4.5Å; F303-L710 HydrophobicContact CE1-CD2 3.67Å; F303-L710 HydrophobicContact CE1-CG 4.14Å; F303-L710 HydrophobicContact CG-CD2 4.19Å; F303-L710 HydrophobicContact CZ-CB 4.3Å; F303-L710 HydrophobicContact CZ-CD2 4.18Å |
| 304 | F | 87.7 | Confident | 85.9 | Confident | 82 Ų | 82 | 48.5 Ų | 48.5 | 36% | 0.36 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | -179.7 | -72 | -50.8 | 0 | 0 | 0 | 112.1 | P300 W301 I302 A307 A308 V398 | P300-F304 HydrophobicContact CB-CD2 4.27Å; P300-F304 HydrophobicContact CB-CE2 3.95Å; P300-F304 WeakPolarHBondContact O-CD2 3.09Å; P300-F304 WeakPolarHBondContact O-CG 3.39Å; P300-F304 PolarHBondContact O-N 3.18Å; W301-F304 PolarHBondContact O-N 3.01Å; I302-F304 PolarHBondContact O-N 3.47Å; F304-A307 PolarHBondContact O-N 3.38Å; F304-A308 WeakPolarHBondContact O-CB 3.28Å; F304-A308 PolarHBondContact O-N 3.45Å; F304-V398 HydrophobicContact CB-CG1 4.45Å; F304-V398 HydrophobicContact CD1-CG1 3.89Å; F304-V398 HydrophobicContact CE1-CG1 4.32Å; F304-V398 HydrophobicContact CG-CG1 4.15Å |
| 305 | L | 89.2 | Confident | 86.2 | Confident | 131 Ų | 131 | 47.8 Ų | 47.8 | 69% | 0.686 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 177.8 | -171.1 | 72.3 | 0 | 0 | 0 | 111.8 | W301 I302 F303 A308 L309 | W301-L305 WeakPolarHBondContact O-CB 3.22Å; W301-L305 PolarHBondContact O-N 2.74Å; I302-L305 PolarHBondContact O-N 3.44Å; F303-L305 PolarHBondContact O-N 3.36Å; L305-A308 PolarHBondContact O-N 3.44Å; L305-L309 PolarHBondContact O-N 3.44Å; L305-L309 VanDerWaalsContact O-N 3.08Å |
| 306 | I | 90.1 | Very high | 86.4 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.4 | -43.9 | 178.4 | -63.3 | 163.9 | 0 | 0 | 0 | 110.3 | I302 F303 A308 L309 V310 M477 L710 V714 | I302-I306 HydrophobicContact CG2-CD1 3.91Å; I302-I306 WeakPolarHBondContact O-CG1 3.25Å; I302-I306 PolarHBondContact O-N 2.87Å; F303-I306 PolarHBondContact O-N 3.02Å; I306-A308 VanDerWaalsContact C-N 3.31Å; I306-A308 PolarHBondContact O-N 3.36Å; I306-L309 WeakPolarHBondContact O-CB 3.41Å; I306-L309 PolarHBondContact O-N 3.15Å; I306-V310 WeakPolarHBondContact O-CG2 3.47Å; I306-V310 PolarHBondContact O-N 3.47Å; I306-M477 HydrophobicContact CD1-CG 4.12Å; I306-M477 HydrophobicContact CD1-SD 3.94Å; I306-L710 HydrophobicContact CB-CD2 4.38Å; I306-L710 HydrophobicContact CD1-CD2 4.36Å; I306-L710 HydrophobicContact CG2-CD2 4.18Å; I306-V714 HydrophobicContact CG2-CG2 3.96Å |
| 307 | A | 87.6 | Confident | 86.6 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 30% | 0.298 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | F303 F304 V310 T311 | F303-A307 WeakPolarHBondContact O-CB 3.29Å; F303-A307 PolarHBondContact O-N 3.15Å; F304-A307 PolarHBondContact O-N 3.38Å; A307-V310 PolarHBondContact O-N 3.39Å; A307-T311 WeakPolarHBondContact O-CB 3.13Å; A307-T311 VanDerWaalsContact O-CG2 3.3Å; A307-T311 WeakPolarHBondContact O-CG2 2.97Å; A307-T311 PolarHBondContact O-N 2.88Å; A307-T311 PolarHBondContact O-OG1 3.44Å |
| 308 | A | 89.2 | Confident | 86.9 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 24% | 0.24 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F304 L305 I306 V310 T311 L312 C402 | F304-A308 WeakPolarHBondContact O-CB 3.28Å; F304-A308 PolarHBondContact O-N 3.45Å; L305-A308 PolarHBondContact O-N 3.44Å; I306-A308 VanDerWaalsContact C-N 3.31Å; I306-A308 PolarHBondContact O-N 3.36Å; A308-V310 VanDerWaalsContact C-N 3.35Å; A308-V310 PolarHBondContact O-N 3.08Å; A308-T311 VanDerWaalsContact CA-OG1 3.29Å; A308-T311 WeakPolarHBondContact CA-OG1 3.36Å; A308-T311 PolarHBondContact O-OG1 2.95Å; A308-L312 WeakPolarHBondContact O-CB 3.21Å; A308-L312 PolarHBondContact O-N 3.42Å; A308-C402 HydrophobicContact CB-CB 4.42Å; A308-C402 VanDerWaalsContact CB-SG 3.5Å |
| 309 | L | 88.5 | Confident | 87.3 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.3 | -169.2 | 67.7 | 0 | 0 | 0 | 111.9 | L305 I306 T313 M466 I469 | L305-L309 PolarHBondContact O-N 3.44Å; L305-L309 VanDerWaalsContact O-N 3.08Å; I306-L309 WeakPolarHBondContact O-CB 3.41Å; I306-L309 PolarHBondContact O-N 3.15Å; L309-T313 WeakPolarHBondContact O-CG2 3.31Å; L309-T313 PolarHBondContact O-N 3Å; L309-T313 PolarHBondContact O-OG1 2.9Å; L309-M466 HydrophobicContact CD1-CE 4.14Å; L309-M466 HydrophobicContact CD1-SD 3.39Å; L309-M466 WeakPolarHBondContact CD1-SD 3.26Å; L309-M466 HydrophobicContact CD2-SD 4.3Å; L309-M466 HydrophobicContact CG-SD 3.97Å; L309-I469 HydrophobicContact CD2-CB 4.05Å; L309-I469 HydrophobicContact CD2-CG2 3.54Å |
| 310 | V | 88.9 | Confident | 87.4 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.8 | -40.3 | -178.1 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | I306 A307 A308 T313 T314 V714 N717 | I306-V310 WeakPolarHBondContact O-CG2 3.47Å; I306-V310 PolarHBondContact O-N 3.47Å; A307-V310 PolarHBondContact O-N 3.39Å; A308-V310 VanDerWaalsContact C-N 3.35Å; A308-V310 PolarHBondContact O-N 3.08Å; V310-T313 WeakPolarHBondContact CA-OG1 3.01Å; V310-T313 PolarHBondContact O-N 2.85Å; V310-T313 PolarHBondContact O-OG1 3.27Å; V310-T314 VanDerWaalsContact O-CB 3.28Å; V310-T314 WeakPolarHBondContact O-CB 3.37Å; V310-T314 PolarHBondContact O-N 3.39Å; V310-T314 PolarHBondContact O-OG1 3.36Å; V310-V714 HydrophobicContact CG2-CB 4.28Å; V310-V714 HydrophobicContact CG2-CG1 3.89Å; V310-V714 HydrophobicContact CG2-CG2 3.76Å; V310-N717 HydrophobicContact CG1-CB 4.17Å |
| 311 | T | 89.1 | Confident | 87.3 | Confident | 44 Ų | 44 | 51 Ų | 51 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 173.9 | 49 | 0 | 0 | 0 | 0 | 111.3 | A307 A308 T313 T314 M315 | A307-T311 WeakPolarHBondContact O-CB 3.13Å; A307-T311 VanDerWaalsContact O-CG2 3.3Å; A307-T311 WeakPolarHBondContact O-CG2 2.97Å; A307-T311 PolarHBondContact O-N 2.88Å; A307-T311 PolarHBondContact O-OG1 3.44Å; A308-T311 VanDerWaalsContact CA-OG1 3.29Å; A308-T311 WeakPolarHBondContact CA-OG1 3.36Å; A308-T311 PolarHBondContact O-OG1 2.95Å; T311-T313 PolarHBondContact O-N 3.24Å; T311-T314 PolarHBondContact O-N 3.23Å; T311-M315 WeakPolarHBondContact O-CB 3.48Å; T311-M315 VanDerWaalsContact O-CG 3.31Å; T311-M315 WeakPolarHBondContact O-CG 3.42Å; T311-M315 PolarHBondContact O-N 3.4Å |
| 312 | L | 88.5 | Confident | 87.5 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.5 | -49 | 175.1 | 173.9 | 62.3 | 0 | 0 | 0 | 112.1 | A308 T316 S406 | A308-L312 WeakPolarHBondContact O-CB 3.21Å; A308-L312 PolarHBondContact O-N 3.42Å; L312-T316 WeakPolarHBondContact O-CB 3.25Å; L312-T316 PolarHBondContact O-N 3.45Å; L312-T316 PolarHBondContact O-OG1 3.17Å; L312-S406 VanDerWaalsContact CD1-CB 3.47Å |
| 313 | T | 86.2 | Confident | 87.6 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 179.7 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | L309 V310 T311 T316 R317 M466 | L309-T313 WeakPolarHBondContact O-CG2 3.31Å; L309-T313 PolarHBondContact O-N 3Å; L309-T313 PolarHBondContact O-OG1 2.9Å; V310-T313 WeakPolarHBondContact CA-OG1 3.01Å; V310-T313 PolarHBondContact O-N 2.85Å; V310-T313 PolarHBondContact O-OG1 3.27Å; T311-T313 PolarHBondContact O-N 3.24Å; T313-T316 PolarHBondContact O-N 3.39Å; T313-R317 WeakPolarHBondContact O-CB 3.06Å; T313-R317 PolarHBondContact O-N 3.33Å; T313-M466 HydrophobicContact CG2-CB 4.32Å; T313-M466 HydrophobicContact CG2-CE 4.36Å; T313-M466 HydrophobicContact CG2-CG 3.87Å; T313-M466 HydrophobicContact CG2-SD 4.02Å |
| 314 | T | 88.7 | Confident | 87.7 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | V310 T311 R317 M318 | V310-T314 VanDerWaalsContact O-CB 3.28Å; V310-T314 WeakPolarHBondContact O-CB 3.37Å; V310-T314 PolarHBondContact O-N 3.39Å; V310-T314 PolarHBondContact O-OG1 3.36Å; T311-T314 PolarHBondContact O-N 3.23Å; T314-R317 PolarHBondContact O-N 3.34Å; T314-M318 WeakPolarHBondContact O-CB 3.25Å; T314-M318 PolarHBondContact O-N 3.26Å |
| 315 | M | 88.6 | Confident | 87.9 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 178.3 | -68.6 | -59.4 | 169.5 | 0 | 0 | 111.6 | T311 R317 M318 V319 A347 S406 A407 | T311-M315 WeakPolarHBondContact O-CB 3.48Å; T311-M315 VanDerWaalsContact O-CG 3.31Å; T311-M315 WeakPolarHBondContact O-CG 3.42Å; T311-M315 PolarHBondContact O-N 3.4Å; M315-R317 VanDerWaalsContact C-N 3.34Å; M315-R317 PolarHBondContact O-N 2.87Å; M315-M318 PolarHBondContact O-N 3.27Å; M315-M318 HydrophobicContact SD-CE 4.24Å; M315-M318 HydrophobicContact SD-SD 4.37Å; M315-V319 WeakPolarHBondContact O-CG2 3.44Å; M315-V319 PolarHBondContact O-N 2.66Å; M315-A347 HydrophobicContact CE-CB 4.09Å; M315-A347 HydrophobicContact SD-CB 4.07Å; M315-S406 WeakPolarHBondContact CB-OG 3.49Å; M315-S406 WeakPolarHBondContact CG-OG 3.4Å; M315-A407 HydrophobicContact CB-CB 4.45Å |
| 316 | T | 86.6 | Confident | 88 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -48.6 | 172.9 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | L312 T313 M318 V319 E320 V410 | L312-T316 WeakPolarHBondContact O-CB 3.25Å; L312-T316 PolarHBondContact O-N 3.45Å; L312-T316 PolarHBondContact O-OG1 3.17Å; T313-T316 PolarHBondContact O-N 3.39Å; T316-M318 PolarHBondContact O-N 3.36Å; T316-V319 PolarHBondContact O-N 3.42Å; T316-E320 VanDerWaalsContact O-CG 3.31Å; T316-E320 WeakPolarHBondContact O-CG 3.33Å; T316-E320 PolarHBondContact O-N 3.46Å; T316-V410 HydrophobicContact CG2-CG1 4.33Å; T316-V410 HydrophobicContact CG2-CG2 4.01Å; T316-V410 WeakPolarHBondContact OG1-CG2 3.33Å |
| 317 | R | 85.6 | Confident | 88.1 | Confident | 45 Ų | 45 | 39.7 Ų | 39.7 | 17% | 0.17 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 179.9 | 179.2 | 59.5 | -173.9 | 141.1 | -3.2 | 112.2 | T313 T314 M315 V319 E320 E321 I721 S724 | T313-R317 WeakPolarHBondContact O-CB 3.06Å; T313-R317 PolarHBondContact O-N 3.33Å; T314-R317 PolarHBondContact O-N 3.34Å; M315-R317 VanDerWaalsContact C-N 3.34Å; M315-R317 PolarHBondContact O-N 2.87Å; R317-V319 PolarHBondContact O-N 2.86Å; R317-E320 PolarHBondContact O-N 2.87Å; R317-E321 HydrophobicContact CG-CG 4.39Å; R317-E321 IonicContact CZ-OE1 3.96Å; R317-E321 IonicContact NE-OE1 3.02Å; R317-E321 PolarHBondContact NE-OE1 3.49Å; R317-E321 VanDerWaalsContact NH1-CG 3.26Å; R317-E321 VanDerWaalsContact NH2-CG 3.34Å; R317-E321 IonicContact NH2-OE1 3.41Å; R317-E321 PolarHBondContact NH2-OE1 2.92Å; R317-E321 WeakPolarHBondContact O-CG 3.32Å; R317-E321 PolarHBondContact O-N 3.17Å; R317-I721 HydrophobicContact CG-CG1 4.47Å; R317-S724 PolarHBondContact NH2-O 2.74Å; R317-S724 PolarHBondContact NH2-OG 2.79Å |
| 318 | M | 87.7 | Confident | 88.3 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 15% | 0.153 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 177.7 | -179.2 | -152.7 | 65.1 | 0 | 0 | 111.6 | T314 M315 T316 E320 E321 K322 Y343 Y346 | T314-M318 WeakPolarHBondContact O-CB 3.25Å; T314-M318 PolarHBondContact O-N 3.26Å; M315-M318 PolarHBondContact O-N 3.27Å; M315-M318 HydrophobicContact SD-CE 4.24Å; M315-M318 HydrophobicContact SD-SD 4.37Å; T316-M318 PolarHBondContact O-N 3.36Å; M318-E320 VanDerWaalsContact C-N 3.28Å; M318-E320 PolarHBondContact O-N 2.96Å; M318-E321 PolarHBondContact O-N 3.28Å; M318-K322 WeakPolarHBondContact O-CG 3.27Å; M318-K322 PolarHBondContact O-N 3.36Å; M318-Y343 HydrophobicContact CE-CD1 3.86Å; M318-Y346 HydrophobicContact CE-CD1 4.32Å; M318-Y346 HydrophobicContact SD-CD1 3.28Å; M318-Y346 WeakPolarHBondContact SD-CD1 3.31Å; M318-Y346 HydrophobicContact SD-CE1 3.3Å; M318-Y346 WeakPolarHBondContact SD-CE1 3.38Å; M318-Y346 HydrophobicContact SD-CG 4.21Å |
| 319 | V | 87.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -38.3 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | M315 T316 R317 K322 R323 L326 V410 L411 | M315-V319 WeakPolarHBondContact O-CG2 3.44Å; M315-V319 PolarHBondContact O-N 2.66Å; T316-V319 PolarHBondContact O-N 3.42Å; R317-V319 PolarHBondContact O-N 2.86Å; V319-K322 CarbonylContact O-C 3.58Å; V319-K322 PolarHBondContact O-N 3.42Å; V319-R323 PolarHBondContact O-N 3.1Å; V319-R323 VanDerWaalsContact O-N 3.15Å; V319-L326 HydrophobicContact CG1-CD1 3.9Å; V319-V410 HydrophobicContact CB-CG1 3.86Å; V319-V410 HydrophobicContact CG1-CG1 3.74Å; V319-V410 HydrophobicContact CG2-CG1 4.39Å; V319-L411 HydrophobicContact CG1-CD2 3.92Å; V319-L411 HydrophobicContact CG1-CG 4.36Å; V319-L411 HydrophobicContact CG2-CD2 4.3Å; V319-L411 HydrophobicContact CG2-CG 4.25Å |
| 320 | E | 82.6 | Confident | 88.7 | Confident | 56 Ų | 56 | 42.7 Ų | 42.7 | 26% | 0.262 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.5 | -39.6 | 177 | -72.3 | -174.4 | 159.5 | 0 | 0 | 114 | T316 R317 M318 K322 R323 K426 | T316-E320 VanDerWaalsContact O-CG 3.31Å; T316-E320 WeakPolarHBondContact O-CG 3.33Å; T316-E320 PolarHBondContact O-N 3.46Å; R317-E320 PolarHBondContact O-N 2.87Å; M318-E320 VanDerWaalsContact C-N 3.28Å; M318-E320 PolarHBondContact O-N 2.96Å; E320-K322 PolarHBondContact O-N 3.44Å; E320-R323 WeakPolarHBondContact O-CB 3.47Å; E320-R323 PolarHBondContact O-N 3.19Å; E320-K426 HydrophobicContact CG-CD 4.47Å; E320-K426 IonicContact OE1-NZ 3.06Å; E320-K426 PolarHBondContact OE1-NZ 2.73Å |
| 321 | E | 83.8 | Confident | 88.9 | Confident | 98 Ų | 98 | 45.1 Ų | 45.1 | 46% | 0.458 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -30.2 | 174 | -75.1 | -179.4 | 177.1 | 0 | 0 | 111.6 | R317 M318 S724 | R317-E321 HydrophobicContact CG-CG 4.39Å; R317-E321 IonicContact CZ-OE1 3.96Å; R317-E321 IonicContact NE-OE1 3.02Å; R317-E321 PolarHBondContact NE-OE1 3.49Å; R317-E321 VanDerWaalsContact NH1-CG 3.26Å; R317-E321 VanDerWaalsContact NH2-CG 3.34Å; R317-E321 IonicContact NH2-OE1 3.41Å; R317-E321 PolarHBondContact NH2-OE1 2.92Å; R317-E321 WeakPolarHBondContact O-CG 3.32Å; R317-E321 PolarHBondContact O-N 3.17Å; M318-E321 PolarHBondContact O-N 3.28Å; E321-S724 PolarHBondContact OE1-OG 3.42Å |
| 322 | K | 88.7 | Confident | 89.1 | Confident | 84 Ų | 84 | 48.8 Ų | 48.8 | 37% | 0.365 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 15.8 | -179.9 | -58.4 | -52.9 | -163 | 169.3 | 0 | 113.7 | M318 V319 E320 N324 E325 L326 Y343 | M318-K322 WeakPolarHBondContact O-CG 3.27Å; M318-K322 PolarHBondContact O-N 3.36Å; V319-K322 CarbonylContact O-C 3.58Å; V319-K322 PolarHBondContact O-N 3.42Å; E320-K322 PolarHBondContact O-N 3.44Å; K322-N324 PolarHBondContact O-N 3.2Å; K322-E325 VanDerWaalsContact CD-OE1 3.27Å; K322-E325 WeakPolarHBondContact CD-OE1 3.44Å; K322-E325 WeakPolarHBondContact CE-OE1 3.02Å; K322-E325 IonicContact NZ-OE1 2.67Å; K322-E325 PolarHBondContact NZ-OE1 3.29Å; K322-E325 WeakPolarHBondContact O-CB 3.29Å; K322-E325 PolarHBondContact O-N 3.48Å; K322-E325 VanDerWaalsContact O-N 3.1Å; K322-L326 PolarHBondContact O-N 3.32Å; K322-Y343 HydrophobicContact CB-CE1 3.71Å; K322-Y343 WeakPolarHBondContact CB-OH 3.44Å; K322-Y343 HydrophobicContact CG-CE1 4.14Å |
| 323 | R | 88.2 | Confident | 89.3 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 13% | 0.125 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | -177.3 | -165.8 | -177.7 | -174.9 | -125 | -5.2 | 113.7 | V319 E320 E325 L326 G327 T421 L422 Q424 K426 | V319-R323 PolarHBondContact O-N 3.1Å; V319-R323 VanDerWaalsContact O-N 3.15Å; E320-R323 WeakPolarHBondContact O-CB 3.47Å; E320-R323 PolarHBondContact O-N 3.19Å; R323-E325 VanDerWaalsContact C-N 3.29Å; R323-E325 PolarHBondContact O-N 2.9Å; R323-L326 WeakPolarHBondContact O-CB 3.5Å; R323-L326 PolarHBondContact O-N 3.38Å; R323-G327 PolarHBondContact O-N 2.97Å; R323-T421 VanDerWaalsContact CZ-O 3.28Å; R323-T421 PolarHBondContact NH1-O 3.46Å; R323-T421 VanDerWaalsContact NH1-O 3.09Å; R323-T421 PolarHBondContact NH2-O 2.85Å; R323-T421 VanDerWaalsContact NH2-O 3.13Å; R323-L422 CarbonylContact C-O 3.42Å; R323-L422 HydrophobicContact CG-CB 4.47Å; R323-L422 HydrophobicContact CG-CD2 3.73Å; R323-Q424 PolarHBondContact NH1-O 3.37Å; R323-K426 VanDerWaalsContact NH1-CG 3.29Å |
| 324 | N | 89.3 | Confident | 89.6 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 175.9 | -70.7 | 0.1 | 0 | 0 | 0 | 111.7 | K322 G327 T328 L422 M423 | K322-N324 PolarHBondContact O-N 3.2Å; N324-G327 PolarHBondContact O-N 3.43Å; N324-T328 PolarHBondContact O-N 2.62Å; N324-T328 PolarHBondContact O-OG1 3.24Å; N324-L422 PolarHBondContact OD1-O 3.07Å; N324-L422 VanDerWaalsContact OD1-O 3.11Å; N324-M423 PolarHBondContact OD1-O 2.86Å |
| 325 | E | 90.7 | Very high | 89.8 | Confident | 67 Ų | 67 | 60 Ų | 60 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 173.6 | -62.2 | -178.9 | -157.7 | 0 | 0 | 110.8 | K322 R323 G327 T328 F329 | K322-E325 VanDerWaalsContact CD-OE1 3.27Å; K322-E325 WeakPolarHBondContact CD-OE1 3.44Å; K322-E325 WeakPolarHBondContact CE-OE1 3.02Å; K322-E325 IonicContact NZ-OE1 2.67Å; K322-E325 PolarHBondContact NZ-OE1 3.29Å; K322-E325 WeakPolarHBondContact O-CB 3.29Å; K322-E325 PolarHBondContact O-N 3.48Å; K322-E325 VanDerWaalsContact O-N 3.1Å; R323-E325 VanDerWaalsContact C-N 3.29Å; R323-E325 PolarHBondContact O-N 2.9Å; E325-G327 VanDerWaalsContact C-N 3.33Å; E325-G327 PolarHBondContact O-N 3.33Å; E325-T328 PolarHBondContact O-N 3.1Å; E325-F329 HydrophobicContact CB-CE2 4.41Å; E325-F329 WeakPolarHBondContact O-CD2 3.17Å; E325-F329 PolarHBondContact O-N 3.26Å |
| 326 | L | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 172.9 | -63 | 174.3 | 0 | 0 | 0 | 111.7 | V319 K322 R323 T328 K330 I339 Y343 L411 D414 L415 L422 | V319-L326 HydrophobicContact CG1-CD1 3.9Å; K322-L326 PolarHBondContact O-N 3.32Å; R323-L326 WeakPolarHBondContact O-CB 3.5Å; R323-L326 PolarHBondContact O-N 3.38Å; L326-T328 VanDerWaalsContact C-N 3.34Å; L326-K330 WeakPolarHBondContact O-CB 3.48Å; L326-K330 PolarHBondContact O-N 3.03Å; L326-I339 HydrophobicContact CD2-CG2 3.34Å; L326-Y343 HydrophobicContact CD2-CD2 3.97Å; L326-Y343 HydrophobicContact CD2-CE2 3.24Å; L326-Y343 HydrophobicContact CG-CE2 4.32Å; L326-L411 HydrophobicContact CD1-CD2 4.47Å; L326-L411 HydrophobicContact CD2-CD2 4.15Å; L326-D414 HydrophobicContact CD1-CB 4.39Å; L326-L415 HydrophobicContact CD2-CD2 4.41Å; L326-L422 HydrophobicContact CB-CD1 4.42Å |
| 327 | G | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R323 N324 E325 K330 A331 L422 | R323-G327 PolarHBondContact O-N 2.97Å; N324-G327 PolarHBondContact O-N 3.43Å; E325-G327 VanDerWaalsContact C-N 3.33Å; E325-G327 PolarHBondContact O-N 3.33Å; G327-K330 PolarHBondContact O-N 3.23Å; G327-A331 WeakPolarHBondContact O-CB 3.26Å; G327-A331 PolarHBondContact O-N 3.23Å; G327-L422 VanDerWaalsContact CA-CB 3.48Å |
| 328 | T | 93.1 | Very high | 90.4 | Very high | 61 Ų | 61 | 65.8 Ų | 65.8 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | N324 E325 L326 K330 A331 L332 | N324-T328 PolarHBondContact O-N 2.62Å; N324-T328 PolarHBondContact O-OG1 3.24Å; E325-T328 PolarHBondContact O-N 3.1Å; L326-T328 VanDerWaalsContact C-N 3.34Å; T328-K330 VanDerWaalsContact C-N 3.3Å; T328-K330 PolarHBondContact O-N 3.11Å; T328-A331 PolarHBondContact O-N 2.74Å; T328-L332 HydrophobicContact CG2-CD1 4.3Å; T328-L332 WeakPolarHBondContact O-CG 3.34Å; T328-L332 PolarHBondContact O-N 3.45Å |
| 329 | F | 93.3 | Very high | 90.7 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 25% | 0.25 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 175.5 | -72.4 | -59.9 | 0 | 0 | 0 | 111.9 | E325 A331 L332 G333 Y334 I339 | E325-F329 HydrophobicContact CB-CE2 4.41Å; E325-F329 WeakPolarHBondContact O-CD2 3.17Å; E325-F329 PolarHBondContact O-N 3.26Å; F329-A331 VanDerWaalsContact C-N 3.32Å; F329-A331 PolarHBondContact O-N 3.25Å; F329-L332 PolarHBondContact O-N 2.89Å; F329-G333 PolarHBondContact O-N 2.7Å; F329-Y334 HydrophobicContact CB-CD2 4.15Å; F329-Y334 HydrophobicContact CB-CG 4.4Å; F329-Y334 AromaticContact CD1-CD2 3.86Å; F329-Y334 HydrophobicContact CD1-CD2 3.86Å; F329-Y334 AromaticContact CD1-CE2 3.86Å; F329-Y334 HydrophobicContact CD1-CE2 3.86Å; F329-Y334 HydrophobicContact CD1-CG 4.4Å; F329-Y334 HydrophobicContact CG-CD2 4.49Å; F329-Y334 WeakPolarHBondContact O-CB 3.44Å; F329-Y334 WeakPolarHBondContact O-CD2 3.39Å; F329-Y334 PolarHBondContact O-N 3.47Å; F329-Y334 VanDerWaalsContact O-N 3.15Å; F329-I339 HydrophobicContact CB-CD1 3.73Å; F329-I339 HydrophobicContact CB-CG1 3.8Å |
| 330 | K | 92.2 | Very high | 90.9 | Very high | 45 Ų | 45 | 65.2 Ų | 65.2 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 177.6 | -158.9 | 177.1 | 179.8 | 173.3 | 0 | 112.3 | L326 G327 T328 G333 I339 L415 A417 P419 L422 | L326-K330 WeakPolarHBondContact O-CB 3.48Å; L326-K330 PolarHBondContact O-N 3.03Å; G327-K330 PolarHBondContact O-N 3.23Å; T328-K330 VanDerWaalsContact C-N 3.3Å; T328-K330 PolarHBondContact O-N 3.11Å; K330-G333 PolarHBondContact O-N 3.49Å; K330-I339 HydrophobicContact CB-CD1 4.01Å; K330-L415 PolarHBondContact NZ-O 3.21Å; K330-A417 PolarHBondContact NZ-O 3.4Å; K330-P419 HydrophobicContact CB-CB 4.45Å; K330-P419 HydrophobicContact CB-CG 4.12Å; K330-P419 HydrophobicContact CD-CG 4.04Å; K330-P419 HydrophobicContact CG-CG 3.91Å; K330-L422 HydrophobicContact CD-CD1 4.24Å |
| 331 | A | 92.9 | Very high | 91.5 | Very high | 62 Ų | 62 | 68.9 Ų | 68.9 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.3 | -33.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | G327 T328 F329 G333 P419 | G327-A331 WeakPolarHBondContact O-CB 3.26Å; G327-A331 PolarHBondContact O-N 3.23Å; T328-A331 PolarHBondContact O-N 2.74Å; F329-A331 VanDerWaalsContact C-N 3.32Å; F329-A331 PolarHBondContact O-N 3.25Å; A331-G333 PolarHBondContact O-N 2.75Å; A331-P419 HydrophobicContact CB-CB 4.15Å |
| 332 | L | 94.2 | Very high | 91.9 | Very high | 122 Ų | 122 | 69.4 Ų | 69.4 | 64% | 0.639 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -4.2 | 174.3 | -71.4 | 174.9 | 0 | 0 | 0 | 113.8 | T328 F329 Y334 | T328-L332 HydrophobicContact CG2-CD1 4.3Å; T328-L332 WeakPolarHBondContact O-CG 3.34Å; T328-L332 PolarHBondContact O-N 3.45Å; F329-L332 PolarHBondContact O-N 2.89Å; L332-Y334 HydrophobicContact CB-CD2 3.93Å; L332-Y334 HydrophobicContact CB-CE2 4.05Å; L332-Y334 HydrophobicContact CD1-CE2 4.37Å |
| 333 | G | 91.7 | Very high | 92.1 | Very high | 62 Ų | 62 | 66 Ų | 66 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | 7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | F329 K330 A331 | F329-G333 PolarHBondContact O-N 2.7Å; K330-G333 PolarHBondContact O-N 3.49Å; A331-G333 PolarHBondContact O-N 2.75Å |
| 334 | Y | 93.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 66.3 Ų | 66.3 | 46% | 0.459 | 35% | 0.352 | S | S | . | . | trans | -63.8 | 141.8 | 174.4 | -73.5 | -93.5 | 0 | 0 | 0 | 111.3 | F329 L332 E338 | F329-Y334 HydrophobicContact CB-CD2 4.15Å; F329-Y334 HydrophobicContact CB-CG 4.4Å; F329-Y334 AromaticContact CD1-CD2 3.86Å; F329-Y334 HydrophobicContact CD1-CD2 3.86Å; F329-Y334 AromaticContact CD1-CE2 3.86Å; F329-Y334 HydrophobicContact CD1-CE2 3.86Å; F329-Y334 HydrophobicContact CD1-CG 4.4Å; F329-Y334 HydrophobicContact CG-CD2 4.49Å; F329-Y334 WeakPolarHBondContact O-CB 3.44Å; F329-Y334 WeakPolarHBondContact O-CD2 3.39Å; F329-Y334 PolarHBondContact O-N 3.47Å; F329-Y334 VanDerWaalsContact O-N 3.15Å; L332-Y334 HydrophobicContact CB-CD2 3.93Å; L332-Y334 HydrophobicContact CB-CE2 4.05Å; L332-Y334 HydrophobicContact CD1-CE2 4.37Å; Y334-E338 HydrophobicContact CD1-CB 4.46Å | ||
| 335 | R | 91.9 | Very high | 92.6 | Very high | 189 Ų | 189 | 67.1 Ų | 67.1 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | trans | -71.6 | 148.3 | 177.4 | -63.9 | 179.6 | 173 | -168.7 | -0.1 | 110.1 | G337 E338 I339 | R335-G337 PolarHBondContact O-N 3.48Å; R335-G337 VanDerWaalsContact O-N 3.07Å; R335-E338 HydrophobicContact CB-CG 4.15Å; R335-E338 PolarHBondContact N-OE2 3.2Å; R335-E338 PolarHBondContact O-N 2.91Å; R335-I339 WeakPolarHBondContact O-CG1 3.17Å; R335-I339 PolarHBondContact O-N 3.44Å; R335-I339 VanDerWaalsContact O-N 3.1Å | ||
| 336 | N | 90.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 70.4 Ų | 70.4 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -52.9 | -35.1 | 177.2 | -71.1 | -14.6 | 0 | 0 | 0 | 112.9 | A340 L415 | N336-A340 VanDerWaalsContact O-CB 3.3Å; N336-A340 WeakPolarHBondContact O-CB 3.44Å; N336-A340 PolarHBondContact O-N 2.9Å; N336-L415 HydrophobicContact CB-CB 4.34Å; N336-L415 HydrophobicContact CB-CD1 4.26Å; N336-L415 PolarHBondContact ND2-O 2.66Å; N336-L415 WeakPolarHBondContact O-CD1 3.3Å |
| 337 | G | 90.4 | Very high | 92.8 | Very high | 54 Ų | 54 | 70.4 Ų | 70.4 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.7 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R335 I339 A340 E341 | R335-G337 PolarHBondContact O-N 3.48Å; R335-G337 VanDerWaalsContact O-N 3.07Å; G337-I339 VanDerWaalsContact C-N 3.34Å; G337-I339 PolarHBondContact O-N 3.23Å; G337-A340 PolarHBondContact O-N 2.78Å; G337-E341 PolarHBondContact O-N 2.95Å |
| 338 | E | 93.1 | Very high | 92.9 | Very high | 93 Ų | 93 | 73 Ų | 73 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -41 | 178.7 | -64.5 | 161.4 | -177.7 | 0 | 0 | 111 | Y334 R335 | Y334-E338 HydrophobicContact CD1-CB 4.46Å; R335-E338 HydrophobicContact CB-CG 4.15Å; R335-E338 PolarHBondContact N-OE2 3.2Å; R335-E338 PolarHBondContact O-N 2.91Å |
| 339 | I | 92.8 | Very high | 93 | Very high | 5 Ų | 5 | 75.6 Ų | 75.6 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 175.3 | -57.7 | 173.2 | 0 | 0 | 0 | 109.9 | L326 F329 K330 R335 G337 E341 Y343 L415 | L326-I339 HydrophobicContact CD2-CG2 3.34Å; F329-I339 HydrophobicContact CB-CD1 3.73Å; F329-I339 HydrophobicContact CB-CG1 3.8Å; K330-I339 HydrophobicContact CB-CD1 4.01Å; R335-I339 WeakPolarHBondContact O-CG1 3.17Å; R335-I339 PolarHBondContact O-N 3.44Å; R335-I339 VanDerWaalsContact O-N 3.1Å; G337-I339 VanDerWaalsContact C-N 3.34Å; G337-I339 PolarHBondContact O-N 3.23Å; I339-E341 PolarHBondContact O-N 2.58Å; I339-Y343 HydrophobicContact CG2-CE2 4.19Å; I339-Y343 VanDerWaalsContact O-CD2 3.23Å; I339-Y343 WeakPolarHBondContact O-CD2 3.47Å; I339-L415 HydrophobicContact CB-CD2 4.24Å; I339-L415 HydrophobicContact CD1-CD2 4.33Å; I339-L415 HydrophobicContact CG2-CD2 3.99Å |
| 340 | A | 93.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 75.2 Ų | 75.2 | 12% | 0.116 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N336 G337 K342 Y343 L344 L411 L415 | N336-A340 VanDerWaalsContact O-CB 3.3Å; N336-A340 WeakPolarHBondContact O-CB 3.44Å; N336-A340 PolarHBondContact O-N 2.9Å; G337-A340 PolarHBondContact O-N 2.78Å; A340-K342 VanDerWaalsContact C-N 3.3Å; A340-K342 PolarHBondContact O-N 3.47Å; A340-Y343 PolarHBondContact O-N 3.42Å; A340-Y343 VanDerWaalsContact O-N 3.09Å; A340-L344 HydrophobicContact CB-CD1 4.31Å; A340-L344 VanDerWaalsContact O-CG 3.32Å; A340-L344 WeakPolarHBondContact O-CG 3.27Å; A340-L344 PolarHBondContact O-N 3.45Å; A340-L411 HydrophobicContact CB-CD1 4.29Å; A340-L415 HydrophobicContact CB-CD1 3.91Å |
| 341 | E | 94.2 | Very high | 92.8 | Very high | 132 Ų | 132 | 73.6 Ų | 73.6 | 62% | 0.617 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -52 | -45.7 | -179.1 | -176 | -178.8 | 176.7 | 0 | 0 | 112.3 | G337 I339 Y343 L344 L345 | G337-E341 PolarHBondContact O-N 2.95Å; I339-E341 PolarHBondContact O-N 2.58Å; E341-Y343 VanDerWaalsContact C-N 3.28Å; E341-Y343 PolarHBondContact O-N 3.1Å; E341-L344 PolarHBondContact O-N 2.73Å; E341-L345 VanDerWaalsContact O-CB 3.27Å; E341-L345 WeakPolarHBondContact O-CB 3.37Å; E341-L345 PolarHBondContact O-N 2.71Å |
| 342 | K | 91.8 | Very high | 92.8 | Very high | 109 Ų | 109 | 71.2 Ų | 71.2 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -54.2 | -44 | 178.7 | -177.2 | -176.7 | 178 | -172.9 | 0 | 112.6 | A340 Y346 | A340-K342 VanDerWaalsContact C-N 3.3Å; A340-K342 PolarHBondContact O-N 3.47Å; K342-Y346 PolarHBondContact O-N 3.34Å |
| 343 | Y | 92.8 | Very high | 92.8 | Very high | 13 Ų | 13 | 67 Ų | 67 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -81.2 | -34.6 | -177.6 | -64.4 | -86.1 | 0 | 0 | 0 | 112.2 | M318 K322 L326 I339 A340 E341 L345 Y346 A347 L411 | M318-Y343 HydrophobicContact CE-CD1 3.86Å; K322-Y343 HydrophobicContact CB-CE1 3.71Å; K322-Y343 WeakPolarHBondContact CB-OH 3.44Å; K322-Y343 HydrophobicContact CG-CE1 4.14Å; L326-Y343 HydrophobicContact CD2-CD2 3.97Å; L326-Y343 HydrophobicContact CD2-CE2 3.24Å; L326-Y343 HydrophobicContact CG-CE2 4.32Å; I339-Y343 HydrophobicContact CG2-CE2 4.19Å; I339-Y343 VanDerWaalsContact O-CD2 3.23Å; I339-Y343 WeakPolarHBondContact O-CD2 3.47Å; A340-Y343 PolarHBondContact O-N 3.42Å; A340-Y343 VanDerWaalsContact O-N 3.09Å; E341-Y343 VanDerWaalsContact C-N 3.28Å; E341-Y343 PolarHBondContact O-N 3.1Å; Y343-L345 VanDerWaalsContact C-N 3.34Å; Y343-Y346 PolarHBondContact O-N 2.92Å; Y343-A347 WeakPolarHBondContact O-CB 3.43Å; Y343-A347 PolarHBondContact O-N 3.39Å; Y343-L411 HydrophobicContact CD2-CD2 4Å; Y343-L411 HydrophobicContact CG-CD2 4.16Å |
| 344 | L | 94.1 | Very high | 92.8 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 174.1 | -65.7 | 174.6 | 0 | 0 | 0 | 111.3 | A340 E341 A347 T348 V404 A407 W408 L411 | A340-L344 HydrophobicContact CB-CD1 4.31Å; A340-L344 VanDerWaalsContact O-CG 3.32Å; A340-L344 WeakPolarHBondContact O-CG 3.27Å; A340-L344 PolarHBondContact O-N 3.45Å; E341-L344 PolarHBondContact O-N 2.73Å; L344-A347 PolarHBondContact O-N 3.08Å; L344-T348 WeakPolarHBondContact O-CB 3.31Å; L344-T348 PolarHBondContact O-N 2.8Å; L344-T348 PolarHBondContact O-OG1 2.71Å; L344-V404 HydrophobicContact CD2-CG1 3.85Å; L344-A407 HydrophobicContact CD2-CB 4.18Å; L344-W408 HydrophobicContact CD2-CB 3.86Å; L344-L411 HydrophobicContact CD2-CD1 4.11Å; L344-L411 HydrophobicContact CG-CD1 4.14Å |
| 345 | L | 94.8 | Very high | 92.8 | Very high | 95 Ų | 95 | 61.6 Ų | 61.6 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 173.4 | -179.8 | 62.6 | 0 | 0 | 0 | 110.7 | E341 Y343 A347 T348 L349 | E341-L345 VanDerWaalsContact O-CB 3.27Å; E341-L345 WeakPolarHBondContact O-CB 3.37Å; E341-L345 PolarHBondContact O-N 2.71Å; Y343-L345 VanDerWaalsContact C-N 3.34Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 2.94Å; L345-T348 PolarHBondContact O-N 3.3Å; L345-L349 HydrophobicContact CD1-CD1 4.25Å; L345-L349 HydrophobicContact CD1-CG 4.21Å; L345-L349 HydrophobicContact CG-CD1 4.09Å; L345-L349 HydrophobicContact CG-CG 4.44Å; L345-L349 WeakPolarHBondContact O-CG 3.27Å; L345-L349 PolarHBondContact O-N 2.91Å |
| 346 | Y | 93 | Very high | 92.8 | Very high | 135 Ų | 135 | 57.9 Ų | 57.9 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.6 | -48 | 173.9 | 177.5 | -88.4 | 0 | 0 | 0 | 111.9 | M318 K342 Y343 T348 L349 A350 | M318-Y346 HydrophobicContact CE-CD1 4.32Å; M318-Y346 HydrophobicContact SD-CD1 3.28Å; M318-Y346 WeakPolarHBondContact SD-CD1 3.31Å; M318-Y346 HydrophobicContact SD-CE1 3.3Å; M318-Y346 WeakPolarHBondContact SD-CE1 3.38Å; M318-Y346 HydrophobicContact SD-CG 4.21Å; K342-Y346 PolarHBondContact O-N 3.34Å; Y343-Y346 PolarHBondContact O-N 2.92Å; Y346-T348 VanDerWaalsContact C-N 3.3Å; Y346-T348 PolarHBondContact O-N 2.86Å; Y346-L349 PolarHBondContact O-N 3.33Å; Y346-A350 HydrophobicContact CE1-CB 4.45Å; Y346-A350 WeakPolarHBondContact O-CB 3.23Å; Y346-A350 PolarHBondContact O-N 3.17Å |
| 347 | A | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M315 Y343 L344 L345 G351 V404 A407 | M315-A347 HydrophobicContact CE-CB 4.09Å; M315-A347 HydrophobicContact SD-CB 4.07Å; Y343-A347 WeakPolarHBondContact O-CB 3.43Å; Y343-A347 PolarHBondContact O-N 3.39Å; L344-A347 PolarHBondContact O-N 3.08Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 2.94Å; A347-G351 PolarHBondContact O-N 2.97Å; A347-V404 HydrophobicContact CB-CG2 4.38Å; A347-A407 HydrophobicContact CB-CB 3.94Å |
| 348 | T | 94.8 | Very high | 93 | Very high | 54 Ų | 54 | 60 Ų | 60 | 33% | 0.331 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | L344 L345 Y346 G352 L400 V404 | L344-T348 WeakPolarHBondContact O-CB 3.31Å; L344-T348 PolarHBondContact O-N 2.8Å; L344-T348 PolarHBondContact O-OG1 2.71Å; L345-T348 PolarHBondContact O-N 3.3Å; Y346-T348 VanDerWaalsContact C-N 3.3Å; Y346-T348 PolarHBondContact O-N 2.86Å; T348-G352 WeakPolarHBondContact O-CA 3.28Å; T348-G352 PolarHBondContact O-N 3.41Å; T348-L400 HydrophobicContact CG2-CD2 4.01Å; T348-V404 VanDerWaalsContact OG1-CG2 3.27Å; T348-V404 WeakPolarHBondContact OG1-CG2 3.5Å |
| 349 | L | 94.9 | Very high | 93 | Very high | 117 Ų | 117 | 57 Ų | 57 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68 | -43.7 | 178.2 | -70 | 174.5 | 0 | 0 | 0 | 111.6 | L345 Y346 G353 | L345-L349 HydrophobicContact CD1-CD1 4.25Å; L345-L349 HydrophobicContact CD1-CG 4.21Å; L345-L349 HydrophobicContact CG-CD1 4.09Å; L345-L349 HydrophobicContact CG-CG 4.44Å; L345-L349 WeakPolarHBondContact O-CG 3.27Å; L345-L349 PolarHBondContact O-N 2.91Å; Y346-L349 PolarHBondContact O-N 3.33Å; L349-G353 WeakPolarHBondContact O-CA 3.41Å; L349-G353 PolarHBondContact O-N 3.38Å |
| 350 | A | 91 | Very high | 92.8 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y346 G354 | Y346-A350 HydrophobicContact CE1-CB 4.45Å; Y346-A350 WeakPolarHBondContact O-CB 3.23Å; Y346-A350 PolarHBondContact O-N 3.17Å; A350-G354 PolarHBondContact O-N 3.16Å; A350-G354 VanDerWaalsContact O-N 3.09Å |
| 351 | G | 90.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 12% | 0.124 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65 | -52.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A347 G354 T355 | A347-G351 PolarHBondContact O-N 2.97Å; G351-G354 PolarHBondContact O-N 3.45Å; G351-T355 WeakPolarHBondContact O-CB 3.43Å; G351-T355 PolarHBondContact O-N 3.41Å; G351-T355 PolarHBondContact O-OG1 3.45Å |
| 352 | G | 92.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 57.8 Ų | 57.8 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T348 T355 L356 | T348-G352 WeakPolarHBondContact O-CA 3.28Å; T348-G352 PolarHBondContact O-N 3.41Å; G352-T355 PolarHBondContact O-N 3.29Å; G352-L356 WeakPolarHBondContact O-CB 3.25Å; G352-L356 WeakPolarHBondContact O-CG 3.48Å; G352-L356 PolarHBondContact O-N 2.91Å |
| 353 | G | 94 | Very high | 92.5 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L349 T355 L356 L357 | L349-G353 WeakPolarHBondContact O-CA 3.41Å; L349-G353 PolarHBondContact O-N 3.38Å; G353-T355 PolarHBondContact O-N 3.25Å; G353-L356 PolarHBondContact O-N 2.81Å; G353-L357 WeakPolarHBondContact O-CG 3.48Å; G353-L357 PolarHBondContact O-N 2.62Å; G353-L357 VanDerWaalsContact O-N 3.12Å |
| 354 | G | 92 | Very high | 92.3 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A350 G351 G358 | A350-G354 PolarHBondContact O-N 3.16Å; A350-G354 VanDerWaalsContact O-N 3.09Å; G351-G354 PolarHBondContact O-N 3.45Å; G354-G358 PolarHBondContact O-N 3.43Å |
| 355 | T | 92.9 | Very high | 92.1 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 12% | 0.117 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | G351 G352 G353 L357 G358 L359 L396 A399 | G351-T355 WeakPolarHBondContact O-CB 3.43Å; G351-T355 PolarHBondContact O-N 3.41Å; G351-T355 PolarHBondContact O-OG1 3.45Å; G352-T355 PolarHBondContact O-N 3.29Å; G353-T355 PolarHBondContact O-N 3.25Å; T355-L357 VanDerWaalsContact C-N 3.33Å; T355-L357 PolarHBondContact O-N 2.91Å; T355-G358 PolarHBondContact O-N 2.83Å; T355-L359 HydrophobicContact CG2-CD1 3.83Å; T355-L359 HydrophobicContact CG2-CG 3.94Å; T355-L359 WeakPolarHBondContact O-CB 3.44Å; T355-L359 VanDerWaalsContact O-CG 3.25Å; T355-L359 WeakPolarHBondContact O-CG 3.39Å; T355-L359 PolarHBondContact O-N 3.28Å; T355-L396 HydrophobicContact CG2-CB 4.35Å; T355-L396 HydrophobicContact CG2-CD1 4.17Å; T355-A399 WeakPolarHBondContact OG1-CB 3.42Å |
| 356 | L | 92.9 | Very high | 91.8 | Very high | 112 Ų | 112 | 61.7 Ų | 61.7 | 59% | 0.586 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.8 | -42.8 | 178.8 | -74.7 | 171.8 | 0 | 0 | 0 | 112 | G352 G353 S360 | G352-L356 WeakPolarHBondContact O-CB 3.25Å; G352-L356 WeakPolarHBondContact O-CG 3.48Å; G352-L356 PolarHBondContact O-N 2.91Å; G353-L356 PolarHBondContact O-N 2.81Å; L356-S360 WeakPolarHBondContact O-CB 3.39Å; L356-S360 PolarHBondContact O-N 3.19Å; L356-S360 PolarHBondContact O-OG 3.05Å |
| 357 | L | 92.5 | Very high | 91.5 | Very high | 127 Ų | 127 | 57.2 Ų | 57.2 | 67% | 0.665 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 173.5 | -70.9 | 174.6 | 0 | 0 | 0 | 111.3 | G353 T355 L359 S360 V361 | G353-L357 WeakPolarHBondContact O-CG 3.48Å; G353-L357 PolarHBondContact O-N 2.62Å; G353-L357 VanDerWaalsContact O-N 3.12Å; T355-L357 VanDerWaalsContact C-N 3.33Å; T355-L357 PolarHBondContact O-N 2.91Å; L357-L359 PolarHBondContact O-N 3.19Å; L357-S360 PolarHBondContact O-N 3.02Å; L357-V361 WeakPolarHBondContact O-CG2 3.43Å; L357-V361 PolarHBondContact O-N 3.1Å |
| 358 | G | 91.9 | Very high | 91.3 | Very high | 44 Ų | 44 | 60 Ų | 60 | 45% | 0.454 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G354 T355 G362 | G354-G358 PolarHBondContact O-N 3.43Å; T355-G358 PolarHBondContact O-N 2.83Å; G358-G362 WeakPolarHBondContact O-CA 3.41Å; G358-G362 PolarHBondContact O-N 3.34Å |
| 359 | L | 92.6 | Very high | 91 | Very high | 31 Ų | 31 | 60.8 Ų | 60.8 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 175.6 | -71.2 | 180 | 0 | 0 | 0 | 111.6 | T355 L357 G362 F363 A392 A395 | T355-L359 HydrophobicContact CG2-CD1 3.83Å; T355-L359 HydrophobicContact CG2-CG 3.94Å; T355-L359 WeakPolarHBondContact O-CB 3.44Å; T355-L359 VanDerWaalsContact O-CG 3.25Å; T355-L359 WeakPolarHBondContact O-CG 3.39Å; T355-L359 PolarHBondContact O-N 3.28Å; L357-L359 PolarHBondContact O-N 3.19Å; L359-G362 PolarHBondContact O-N 3.18Å; L359-F363 HydrophobicContact CB-CD2 4.18Å; L359-F363 HydrophobicContact CB-CE2 4.36Å; L359-F363 HydrophobicContact CD2-CD2 4.28Å; L359-F363 HydrophobicContact CD2-CE2 3.76Å; L359-F363 WeakPolarHBondContact O-CB 3.45Å; L359-F363 VanDerWaalsContact O-CD2 3.3Å; L359-F363 WeakPolarHBondContact O-CD2 3.47Å; L359-F363 PolarHBondContact O-N 3.17Å; L359-A392 HydrophobicContact CD1-CB 3.9Å; L359-A395 HydrophobicContact CD2-CB 3.91Å |
| 360 | S | 90.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 56.8 Ų | 56.8 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 178.8 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L356 L357 Y364 | L356-S360 WeakPolarHBondContact O-CB 3.39Å; L356-S360 PolarHBondContact O-N 3.19Å; L356-S360 PolarHBondContact O-OG 3.05Å; L357-S360 PolarHBondContact O-N 3.02Å; S360-Y364 VanDerWaalsContact O-CB 3.3Å; S360-Y364 WeakPolarHBondContact O-CB 3.22Å; S360-Y364 PolarHBondContact O-N 3.42Å |
| 361 | V | 90.5 | Very high | 90.4 | Very high | 85 Ų | 85 | 55.2 Ų | 55.2 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 175 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | L357 Y364 L365 | L357-V361 WeakPolarHBondContact O-CG2 3.43Å; L357-V361 PolarHBondContact O-N 3.1Å; V361-Y364 PolarHBondContact O-N 3.05Å; V361-L365 HydrophobicContact CG1-CB 4.11Å; V361-L365 HydrophobicContact CG1-CD2 3.95Å; V361-L365 WeakPolarHBondContact O-CA 3.46Å; V361-L365 WeakPolarHBondContact O-CB 3.39Å; V361-L365 PolarHBondContact O-N 3.01Å |
| 362 | G | 90.2 | Very high | 90 | Very high | 25 Ų | 25 | 59.5 Ų | 59.5 | 26% | 0.258 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | G358 L359 P367 | G358-G362 WeakPolarHBondContact O-CA 3.41Å; G358-G362 PolarHBondContact O-N 3.34Å; L359-G362 PolarHBondContact O-N 3.18Å; G362-P367 VanDerWaalsContact O-CD 3.24Å; G362-P367 WeakPolarHBondContact O-CD 3.42Å |
| 363 | F | 90.5 | Very high | 89.3 | Confident | 34 Ų | 34 | 59.4 Ų | 59.4 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -76.8 | -22.2 | 179.4 | -78.9 | -61.8 | 0 | 0 | 0 | 113.8 | L359 P367 Y388 A392 | L359-F363 HydrophobicContact CB-CD2 4.18Å; L359-F363 HydrophobicContact CB-CE2 4.36Å; L359-F363 HydrophobicContact CD2-CD2 4.28Å; L359-F363 HydrophobicContact CD2-CE2 3.76Å; L359-F363 WeakPolarHBondContact O-CB 3.45Å; L359-F363 VanDerWaalsContact O-CD2 3.3Å; L359-F363 WeakPolarHBondContact O-CD2 3.47Å; L359-F363 PolarHBondContact O-N 3.17Å; F363-P367 WeakPolarHBondContact O-CG 3.5Å; F363-Y388 HydrophobicContact CE1-CD2 4.29Å; F363-A392 HydrophobicContact CE2-CB 4.06Å; F363-A392 HydrophobicContact CZ-CB 4.45Å |
| 364 | Y | 89.2 | Confident | 88.4 | Confident | 158 Ų | 158 | 58 Ų | 58 | 62% | 0.62 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -98.4 | -56.9 | -179.2 | -173.5 | -101.5 | 0 | 0 | 0 | 112.3 | S360 V361 V368 | S360-Y364 VanDerWaalsContact O-CB 3.3Å; S360-Y364 WeakPolarHBondContact O-CB 3.22Å; S360-Y364 PolarHBondContact O-N 3.42Å; V361-Y364 PolarHBondContact O-N 3.05Å; Y364-V368 WeakPolarHBondContact O-CG2 3.21Å |
| 365 | L | 89.8 | Confident | 87.5 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 44% | 0.44 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70 | -49.4 | -170.8 | -169.8 | 78.2 | 0 | 0 | 0 | 112.1 | V361 V368 I369 | V361-L365 HydrophobicContact CG1-CB 4.11Å; V361-L365 HydrophobicContact CG1-CD2 3.95Å; V361-L365 WeakPolarHBondContact O-CA 3.46Å; V361-L365 WeakPolarHBondContact O-CB 3.39Å; V361-L365 PolarHBondContact O-N 3.01Å; L365-V368 PolarHBondContact O-N 3.3Å; L365-I369 HydrophobicContact CD1-CD1 4.29Å; L365-I369 HydrophobicContact CD2-CD1 4.28Å; L365-I369 HydrophobicContact CG-CD1 3.8Å; L365-I369 WeakPolarHBondContact O-CG1 3.43Å; L365-I369 PolarHBondContact O-N 3.24Å |
| 366 | L | 88.1 | Confident | 86.5 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | -172.7 | -58.7 | 178.6 | 0 | 0 | 0 | 112.8 | V368 I369 I370 V702 | L366-V368 VanDerWaalsContact C-N 3.28Å; L366-V368 PolarHBondContact O-N 3.36Å; L366-I369 PolarHBondContact O-N 3.38Å; L366-I370 WeakPolarHBondContact O-CB 3.14Å; L366-I370 VanDerWaalsContact O-CG1 3.25Å; L366-I370 WeakPolarHBondContact O-CG1 3.46Å; L366-I370 PolarHBondContact O-N 3.34Å; L366-V702 HydrophobicContact CD2-CG1 3.79Å |
| 367 | P | 88.2 | Confident | 85.8 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 177.5 | -27.1 | 38.7 | 0 | 0 | 0 | 113.1 | G362 F363 F371 T385 | G362-P367 VanDerWaalsContact O-CD 3.24Å; G362-P367 WeakPolarHBondContact O-CD 3.42Å; F363-P367 WeakPolarHBondContact O-CG 3.5Å; P367-F371 WeakPolarHBondContact O-CB 3.31Å; P367-F371 PolarHBondContact O-N 3.06Å; P367-T385 HydrophobicContact CB-CG2 4.09Å |
| 368 | V | 89.1 | Confident | 85.3 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.1 | -48.2 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | Y364 L365 L366 I370 F371 D372 V383 T385 | Y364-V368 WeakPolarHBondContact O-CG2 3.21Å; L365-V368 PolarHBondContact O-N 3.3Å; L366-V368 VanDerWaalsContact C-N 3.28Å; L366-V368 PolarHBondContact O-N 3.36Å; V368-I370 PolarHBondContact O-N 2.94Å; V368-F371 PolarHBondContact O-N 3.18Å; V368-D372 VanDerWaalsContact O-CB 3.23Å; V368-D372 WeakPolarHBondContact O-CB 3.31Å; V368-D372 PolarHBondContact O-N 2.86Å; V368-V383 HydrophobicContact CG2-CG1 4.06Å; V368-T385 HydrophobicContact CG2-CG2 4.34Å |
| 369 | I | 87.6 | Confident | 84.8 | Confident | 69 Ų | 69 | 50.8 Ų | 50.8 | 35% | 0.354 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 178.3 | -66.4 | 169.9 | 0 | 0 | 0 | 111.2 | L365 L366 A373 V702 | L365-I369 HydrophobicContact CD1-CD1 4.29Å; L365-I369 HydrophobicContact CD2-CD1 4.28Å; L365-I369 HydrophobicContact CG-CD1 3.8Å; L365-I369 WeakPolarHBondContact O-CG1 3.43Å; L365-I369 PolarHBondContact O-N 3.24Å; L366-I369 PolarHBondContact O-N 3.38Å; I369-A373 WeakPolarHBondContact O-CB 3.31Å; I369-A373 PolarHBondContact O-N 2.86Å; I369-V702 HydrophobicContact CG2-CG2 3.87Å |
| 370 | I | 86.5 | Confident | 84.4 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | -178.4 | -65.7 | 167.3 | 0 | 0 | 0 | 110.8 | I292 L366 V368 Y374 I699 | I292-I370 HydrophobicContact CD1-CG2 4.4Å; L366-I370 WeakPolarHBondContact O-CB 3.14Å; L366-I370 VanDerWaalsContact O-CG1 3.25Å; L366-I370 WeakPolarHBondContact O-CG1 3.46Å; L366-I370 PolarHBondContact O-N 3.34Å; V368-I370 PolarHBondContact O-N 2.94Å; I370-Y374 PolarHBondContact O-N 3.28Å; I370-I699 HydrophobicContact CG2-CG1 4.34Å |
| 371 | F | 86 | Confident | 83.7 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.2 | -35.1 | -178.9 | -167.9 | -85.2 | 0 | 0 | 0 | 112.5 | M1 T4 P367 V368 A373 Y374 G375 L380 E381 V383 | M1-F371 HydrophobicContact CG-CD2 4.01Å; T4-F371 HydrophobicContact CG2-CE2 3.86Å; T4-F371 HydrophobicContact CG2-CZ 3.61Å; P367-F371 WeakPolarHBondContact O-CB 3.31Å; P367-F371 PolarHBondContact O-N 3.06Å; V368-F371 PolarHBondContact O-N 3.18Å; F371-A373 VanDerWaalsContact C-N 3.33Å; F371-Y374 PolarHBondContact O-N 3.5Å; F371-G375 VanDerWaalsContact O-CA 3.25Å; F371-G375 WeakPolarHBondContact O-CA 3.26Å; F371-G375 PolarHBondContact O-N 3.02Å; F371-L380 HydrophobicContact CE2-CD1 4.21Å; F371-L380 HydrophobicContact CZ-CB 3.95Å; F371-L380 HydrophobicContact CZ-CD1 3.97Å; F371-E381 WeakPolarHBondContact CE1-O 3.43Å; F371-V383 HydrophobicContact CB-CB 3.74Å; F371-V383 HydrophobicContact CB-CG1 4.39Å; F371-V383 HydrophobicContact CB-CG2 3.56Å; F371-V383 HydrophobicContact CD1-CB 3.49Å; F371-V383 VanDerWaalsContact CD1-CB 3.49Å; F371-V383 HydrophobicContact CD1-CG1 4.45Å; F371-V383 HydrophobicContact CD1-CG2 4.09Å; F371-V383 HydrophobicContact CD2-CB 4.04Å; F371-V383 HydrophobicContact CD2-CG2 3.72Å; F371-V383 HydrophobicContact CE1-CB 4.03Å; F371-V383 HydrophobicContact CE2-CG2 4.42Å; F371-V383 HydrophobicContact CG-CB 3.48Å; F371-V383 VanDerWaalsContact CG-CB 3.48Å; F371-V383 HydrophobicContact CG-CG2 3.51Å |
| 372 | D | 83.5 | Confident | 83.1 | Confident | 103 Ų | 103 | 50.1 Ų | 50.1 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 174.9 | -174.3 | 62.7 | 0 | 0 | 0 | 110.9 | V368 Y374 G375 Q376 | V368-D372 VanDerWaalsContact O-CB 3.23Å; V368-D372 WeakPolarHBondContact O-CB 3.31Å; V368-D372 PolarHBondContact O-N 2.86Å; D372-Y374 PolarHBondContact O-N 3.37Å; D372-G375 PolarHBondContact O-N 2.83Å; D372-Q376 WeakPolarHBondContact O-CG 3.32Å; D372-Q376 PolarHBondContact O-N 3.23Å |
| 373 | A | 77.6 | Confident | 82.8 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.5 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I369 F371 I698 | I369-A373 WeakPolarHBondContact O-CB 3.31Å; I369-A373 PolarHBondContact O-N 2.86Å; F371-A373 VanDerWaalsContact C-N 3.33Å; A373-I698 HydrophobicContact CB-CB 4.11Å; A373-I698 HydrophobicContact CB-CD1 3.56Å; A373-I698 HydrophobicContact CB-CG1 4.42Å; A373-I698 HydrophobicContact CB-CG2 3.73Å |
| 374 | Y | 75.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -78.6 | -34.7 | 178.8 | -91.5 | -101.2 | 0 | 0 | 0 | 113.1 | N288 I292 I370 F371 D372 Q376 L377 Y378 L696 I699 | N288-Y374 HydrophobicContact CB-CE1 3.82Å; I292-Y374 HydrophobicContact CD1-CD2 4.33Å; I292-Y374 HydrophobicContact CD1-CE1 4.26Å; I292-Y374 HydrophobicContact CD1-CE2 3.87Å; I370-Y374 PolarHBondContact O-N 3.28Å; F371-Y374 PolarHBondContact O-N 3.5Å; D372-Y374 PolarHBondContact O-N 3.37Å; Y374-Q376 PolarHBondContact O-N 3.14Å; Y374-L377 WeakPolarHBondContact O-CB 3.5Å; Y374-L377 PolarHBondContact O-N 3.16Å; Y374-Y378 HydrophobicContact CD1-CE2 4.02Å; Y374-Y378 VanDerWaalsContact O-CD2 3.25Å; Y374-Y378 WeakPolarHBondContact O-CD2 3.12Å; Y374-L696 WeakPolarHBondContact OH-CD2 3.28Å; Y374-L696 VanDerWaalsContact OH-CG 3.25Å; Y374-L696 WeakPolarHBondContact OH-CG 3.34Å; Y374-I699 HydrophobicContact CD2-CD1 4.42Å; Y374-I699 HydrophobicContact CE2-CD1 3.45Å; Y374-I699 VanDerWaalsContact CE2-CD1 3.45Å; Y374-I699 HydrophobicContact CE2-CG1 4.27Å |
| 375 | G | 72.5 | Confident | 82.2 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -21.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F371 D372 L377 Y378 | F371-G375 VanDerWaalsContact O-CA 3.25Å; F371-G375 WeakPolarHBondContact O-CA 3.26Å; F371-G375 PolarHBondContact O-N 3.02Å; D372-G375 PolarHBondContact O-N 2.83Å; G375-L377 VanDerWaalsContact C-N 3.27Å; G375-L377 PolarHBondContact O-N 3.43Å; G375-Y378 PolarHBondContact O-N 3.33Å |
| 376 | Q | 72.4 | Confident | 81.8 | Confident | 136 Ų | 136 | 46 Ų | 46 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -29 | 170.3 | -69.8 | 176 | 15.7 | 0 | 0 | 112.8 | T133 D372 Y374 | T133-Q376 PolarHBondContact OG1-O 3.26Å; D372-Q376 WeakPolarHBondContact O-CG 3.32Å; D372-Q376 PolarHBondContact O-N 3.23Å; Y374-Q376 PolarHBondContact O-N 3.14Å |
| 377 | L | 76.9 | Confident | 81.6 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -20.1 | 175.1 | -63.7 | -173.7 | 0 | 0 | 0 | 113 | E132 T133 I134 Y374 G375 D691 S695 | E132-L377 CarbonylContact C-O 3.6Å; T133-L377 WeakPolarHBondContact CB-O 3.49Å; T133-L377 WeakPolarHBondContact CG2-O 3.33Å; T133-L377 PolarHBondContact N-O 2.68Å; T133-L377 PolarHBondContact OG1-O 3.27Å; I134-L377 HydrophobicContact CD1-CD2 4.07Å; Y374-L377 WeakPolarHBondContact O-CB 3.5Å; Y374-L377 PolarHBondContact O-N 3.16Å; G375-L377 VanDerWaalsContact C-N 3.27Å; G375-L377 PolarHBondContact O-N 3.43Å; L377-D691 HydrophobicContact CD2-CB 4.44Å; L377-S695 WeakPolarHBondContact CD1-OG 3.49Å |
| 378 | Y | 83.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -126 | 139.3 | -169.5 | -59.6 | -71.5 | 0 | 0 | 0 | 113.6 | I131 E132 E284 F285 N288 Y374 G375 L380 | I131-Y378 HydrophobicContact CG2-CD1 3.84Å; I131-Y378 HydrophobicContact CG2-CG 4.46Å; I131-Y378 CarbonylContact O-C 3.59Å; I131-Y378 WeakPolarHBondContact O-CA 3.24Å; E132-Y378 HydrophobicContact CG-CD1 4.21Å; E132-Y378 HydrophobicContact CG-CE1 3.84Å; E284-Y378 PolarHBondContact OE2-OH 3.09Å; F285-Y378 HydrophobicContact CB-CE1 4.25Å; F285-Y378 HydrophobicContact CD2-CD1 4.11Å; F285-Y378 AromaticContact CD2-CD2 3.62Å; F285-Y378 HydrophobicContact CD2-CD2 3.62Å; F285-Y378 HydrophobicContact CD2-CE1 4.19Å; F285-Y378 AromaticContact CD2-CE2 3.74Å; F285-Y378 HydrophobicContact CD2-CE2 3.74Å; F285-Y378 AromaticContact CD2-CG 3.82Å; F285-Y378 HydrophobicContact CD2-CG 3.82Å; F285-Y378 AromaticContact CE2-CD2 3.94Å; F285-Y378 HydrophobicContact CE2-CD2 3.94Å; F285-Y378 HydrophobicContact CE2-CE2 4.34Å; F285-Y378 HydrophobicContact CE2-CG 4.29Å; N288-Y378 PolarHBondContact ND2-OH 3.44Å; Y374-Y378 HydrophobicContact CD1-CE2 4.02Å; Y374-Y378 VanDerWaalsContact O-CD2 3.25Å; Y374-Y378 WeakPolarHBondContact O-CD2 3.12Å; G375-Y378 PolarHBondContact O-N 3.33Å; Y378-L380 PolarHBondContact O-N 3.21Å |
| 379 | N | 80.8 | Confident | 81.5 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | trans | -77.1 | 60.4 | 175.6 | -72.8 | -42.1 | 0 | 0 | 0 | 112.3 | Y8 K126 F130 I131 E132 T133 | Y8-N379 WeakPolarHBondContact CE1-O 3.27Å; K126-N379 HydrophobicContact CD-CB 4.17Å; K126-N379 WeakPolarHBondContact CD-OD1 3.37Å; K126-N379 WeakPolarHBondContact CE-OD1 3.33Å; K126-N379 PolarHBondContact NZ-OD1 3.3Å; K126-N379 VanDerWaalsContact NZ-OD1 3.16Å; F130-N379 PolarHBondContact O-ND2 3.3Å; I131-N379 PolarHBondContact O-N 3.12Å; E132-N379 PolarHBondContact O-ND2 3.42Å; T133-N379 WeakPolarHBondContact CG2-OD1 3.3Å | ||
| 380 | L | 82.9 | Confident | 81.6 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | trans | -105.9 | 153.7 | 175.2 | -63.8 | 177.8 | 0 | 0 | 0 | 111.4 | A5 Y8 F285 F371 Y378 | A5-L380 HydrophobicContact CB-CD1 4.24Å; A5-L380 HydrophobicContact CB-CD2 4.2Å; Y8-L380 HydrophobicContact CD1-CD2 3.58Å; Y8-L380 HydrophobicContact CE1-CD2 4.19Å; Y8-L380 HydrophobicContact CG-CD2 4.1Å; F285-L380 HydrophobicContact CD2-CD1 4.22Å; F285-L380 HydrophobicContact CE1-CD1 4.27Å; F285-L380 HydrophobicContact CE2-CD1 3.42Å; F285-L380 VanDerWaalsContact CE2-CD1 3.42Å; F285-L380 HydrophobicContact CZ-CD1 3.45Å; F285-L380 VanDerWaalsContact CZ-CD1 3.45Å; F371-L380 HydrophobicContact CE2-CD1 4.21Å; F371-L380 HydrophobicContact CZ-CB 3.95Å; F371-L380 HydrophobicContact CZ-CD1 3.97Å; Y378-L380 PolarHBondContact O-N 3.21Å | ||
| 381 | E | 77.7 | Confident | 81.7 | Confident | 69 Ų | 69 | 62.4 Ų | 62.4 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | trans | -71.3 | 180 | 168.5 | -69.3 | -177.6 | -170.6 | 0 | 0 | 111.4 | Y8 K11 F371 | Y8-E381 HydrophobicContact CD2-CB 4.46Å; Y8-E381 HydrophobicContact CD2-CG 3.83Å; Y8-E381 HydrophobicContact CE2-CG 4.05Å; K11-E381 IonicContact NZ-OE1 2.97Å; K11-E381 PolarHBondContact NZ-OE1 3.3Å; K11-E381 IonicContact NZ-OE2 3.57Å; K11-E381 PolarHBondContact NZ-OE2 2.87Å; F371-E381 WeakPolarHBondContact CE1-O 3.43Å | ||
| 382 | G | 76.9 | Confident | 82 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -53.3 | 147.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | T4 L384 | T4-G382 WeakPolarHBondContact CG2-O 3.46Å; G382-L384 PolarHBondContact O-N 2.71Å |
| 383 | V | 83 | Confident | 82.4 | Confident | 38 Ų | 38 | 62 Ų | 62 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 129 | -177.9 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | V368 F371 T385 | V368-V383 HydrophobicContact CG2-CG1 4.06Å; F371-V383 HydrophobicContact CB-CB 3.74Å; F371-V383 HydrophobicContact CB-CG1 4.39Å; F371-V383 HydrophobicContact CB-CG2 3.56Å; F371-V383 HydrophobicContact CD1-CB 3.49Å; F371-V383 VanDerWaalsContact CD1-CB 3.49Å; F371-V383 HydrophobicContact CD1-CG1 4.45Å; F371-V383 HydrophobicContact CD1-CG2 4.09Å; F371-V383 HydrophobicContact CD2-CB 4.04Å; F371-V383 HydrophobicContact CD2-CG2 3.72Å; F371-V383 HydrophobicContact CE1-CB 4.03Å; F371-V383 HydrophobicContact CE2-CG2 4.42Å; F371-V383 HydrophobicContact CG-CB 3.48Å; F371-V383 VanDerWaalsContact CG-CB 3.48Å; F371-V383 HydrophobicContact CG-CG2 3.51Å; V383-T385 HydrophobicContact CG1-CG2 4.15Å; V383-T385 HydrophobicContact CG2-CG2 4.33Å |
| 384 | L | 83.5 | Confident | 83.1 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 44% | 0.435 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 124.8 | 163.1 | -61.3 | 179.7 | 0 | 0 | 0 | 109.1 | T4 G382 P386 | T4-L384 HydrophobicContact CG2-CG 4.49Å; T4-L384 PolarHBondContact OG1-N 3.46Å; G382-L384 PolarHBondContact O-N 2.71Å; L384-P386 WeakPolarHBondContact O-CD 3.37Å |
| 385 | T | 83.4 | Confident | 83.8 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | trans | -107.6 | 68.8 | 176.4 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | P367 V368 V383 W387 | P367-T385 HydrophobicContact CB-CG2 4.09Å; V368-T385 HydrophobicContact CG2-CG2 4.34Å; V383-T385 HydrophobicContact CG1-CG2 4.15Å; V383-T385 HydrophobicContact CG2-CG2 4.33Å; T385-W387 PolarHBondContact O-N 3.42Å | ||
| 386 | P | 82.2 | Confident | 84.8 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | trans | -66.5 | 135.6 | -179.9 | 28.9 | -34.7 | 0 | 0 | 0 | 110.7 | K3 L384 Y388 | K3-P386 HydrophobicContact CD-CG 4.07Å; L384-P386 WeakPolarHBondContact O-CD 3.37Å; P386-Y388 HydrophobicContact CB-CE2 4.49Å; P386-Y388 HydrophobicContact CG-CE2 3.73Å; P386-Y388 WeakPolarHBondContact O-CD2 3.01Å; P386-Y388 PolarHBondContact O-N 2.87Å | ||
| 387 | W | 83.5 | Confident | 85.7 | Confident | 179 Ų | 179 | 65.1 Ų | 65.1 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | trans | -77.3 | 116.3 | 172.1 | -82.5 | 45.3 | 0 | 0 | 0 | 110 | T385 L389 | T385-W387 PolarHBondContact O-N 3.42Å; W387-L389 PolarHBondContact O-N 2.86Å | ||
| 388 | Y | 86.9 | Confident | 86.4 | Confident | 84 Ų | 84 | 66 Ų | 66 | 33% | 0.329 | 36% | 0.359 | S | S | . | . | trans | -93.2 | 98.7 | 176.5 | -67.6 | -79.3 | 0 | 0 | 0 | 110.1 | K3 F363 P386 S390 Y391 A392 | K3-Y388 WeakPolarHBondContact CD-OH 3.35Å; K3-Y388 WeakPolarHBondContact CE-OH 3.43Å; K3-Y388 VanDerWaalsContact NZ-CE1 3.29Å; K3-Y388 PolarHBondContact NZ-OH 2.95Å; F363-Y388 HydrophobicContact CE1-CD2 4.29Å; P386-Y388 HydrophobicContact CB-CE2 4.49Å; P386-Y388 HydrophobicContact CG-CE2 3.73Å; P386-Y388 WeakPolarHBondContact O-CD2 3.01Å; P386-Y388 PolarHBondContact O-N 2.87Å; Y388-S390 PolarHBondContact O-N 3.13Å; Y388-Y391 VanDerWaalsContact CB-CD2 3.46Å; Y388-Y391 HydrophobicContact CD1-CD2 4.48Å; Y388-Y391 HydrophobicContact CD1-CE2 4.46Å; Y388-Y391 HydrophobicContact CD2-CD2 4.25Å; Y388-Y391 AromaticContact CG-CD2 3.85Å; Y388-Y391 HydrophobicContact CG-CD2 3.85Å; Y388-Y391 HydrophobicContact CG-CE2 4.19Å; Y388-Y391 PolarHBondContact O-N 2.88Å; Y388-A392 PolarHBondContact O-N 3.23Å; Y388-A392 VanDerWaalsContact O-N 3.08Å | ||
| 389 | L | 89.9 | Confident | 86.7 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 67% | 0.665 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.6 | -34.8 | -179.8 | -173.5 | 62.7 | 0 | 0 | 0 | 112.3 | W387 A392 L393 | W387-L389 PolarHBondContact O-N 2.86Å; L389-A392 PolarHBondContact O-N 2.87Å; L389-L393 HydrophobicContact CD1-CD1 4.47Å; L389-L393 HydrophobicContact CD1-CG 4.24Å; L389-L393 HydrophobicContact CG-CD1 4.02Å; L389-L393 HydrophobicContact CG-CG 4.23Å; L389-L393 WeakPolarHBondContact O-CB 3.13Å; L389-L393 VanDerWaalsContact O-CG 3.24Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 2.89Å |
| 390 | S | 89.1 | Confident | 87.2 | Confident | 68 Ų | 68 | 69 Ų | 69 | 48% | 0.476 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 176.9 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | Y388 A392 L393 I394 | Y388-S390 PolarHBondContact O-N 3.13Å; S390-A392 VanDerWaalsContact C-N 3.33Å; S390-A392 PolarHBondContact O-N 3.32Å; S390-L393 PolarHBondContact O-N 2.93Å; S390-I394 VanDerWaalsContact O-CG1 3.3Å; S390-I394 WeakPolarHBondContact O-CG1 3.41Å; S390-I394 PolarHBondContact O-N 3.35Å |
| 391 | Y | 88.5 | Confident | 87.7 | Confident | 150 Ų | 150 | 75.4 Ų | 75.4 | 59% | 0.588 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.3 | -37.7 | 177.8 | -66.3 | -58.9 | 0 | 0 | 0 | 111.8 | Y388 I394 A395 | Y388-Y391 VanDerWaalsContact CB-CD2 3.46Å; Y388-Y391 HydrophobicContact CD1-CD2 4.48Å; Y388-Y391 HydrophobicContact CD1-CE2 4.46Å; Y388-Y391 HydrophobicContact CD2-CD2 4.25Å; Y388-Y391 AromaticContact CG-CD2 3.85Å; Y388-Y391 HydrophobicContact CG-CD2 3.85Å; Y388-Y391 HydrophobicContact CG-CE2 4.19Å; Y388-Y391 PolarHBondContact O-N 2.88Å; Y391-I394 PolarHBondContact O-N 3.36Å; Y391-A395 WeakPolarHBondContact O-CB 3.41Å; Y391-A395 PolarHBondContact O-N 2.96Å |
| 392 | A | 91.7 | Very high | 88.3 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 12% | 0.116 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L359 F363 Y388 L389 S390 A395 L396 | L359-A392 HydrophobicContact CD1-CB 3.9Å; F363-A392 HydrophobicContact CE2-CB 4.06Å; F363-A392 HydrophobicContact CZ-CB 4.45Å; Y388-A392 PolarHBondContact O-N 3.23Å; Y388-A392 VanDerWaalsContact O-N 3.08Å; L389-A392 PolarHBondContact O-N 2.87Å; S390-A392 VanDerWaalsContact C-N 3.33Å; S390-A392 PolarHBondContact O-N 3.32Å; A392-A395 PolarHBondContact O-N 2.94Å; A392-L396 WeakPolarHBondContact O-CB 3.32Å; A392-L396 PolarHBondContact O-N 3.27Å |
| 393 | L | 93.3 | Very high | 88.9 | Confident | 97 Ų | 97 | 70.3 Ų | 70.3 | 51% | 0.508 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 178.3 | -72.1 | 175.5 | 0 | 0 | 0 | 112.2 | L389 S390 L396 A397 | L389-L393 HydrophobicContact CD1-CD1 4.47Å; L389-L393 HydrophobicContact CD1-CG 4.24Å; L389-L393 HydrophobicContact CG-CD1 4.02Å; L389-L393 HydrophobicContact CG-CG 4.23Å; L389-L393 WeakPolarHBondContact O-CB 3.13Å; L389-L393 VanDerWaalsContact O-CG 3.24Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 2.89Å; S390-L393 PolarHBondContact O-N 2.93Å; L393-L396 PolarHBondContact O-N 3.14Å; L393-A397 VanDerWaalsContact O-CB 3.28Å; L393-A397 WeakPolarHBondContact O-CB 3.3Å; L393-A397 PolarHBondContact O-N 2.91Å |
| 394 | I | 91 | Very high | 89.4 | Confident | 99 Ų | 99 | 70.2 Ų | 70.2 | 51% | 0.508 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 175.5 | -67.4 | 164.6 | 0 | 0 | 0 | 110.2 | S390 Y391 L396 A397 V398 | S390-I394 VanDerWaalsContact O-CG1 3.3Å; S390-I394 WeakPolarHBondContact O-CG1 3.41Å; S390-I394 PolarHBondContact O-N 3.35Å; Y391-I394 PolarHBondContact O-N 3.36Å; I394-L396 VanDerWaalsContact C-N 3.34Å; I394-L396 PolarHBondContact O-N 2.92Å; I394-A397 PolarHBondContact O-N 2.88Å; I394-V398 HydrophobicContact CG2-CG2 4.36Å; I394-V398 WeakPolarHBondContact O-CB 3.14Å; I394-V398 VanDerWaalsContact O-CG2 3.31Å; I394-V398 WeakPolarHBondContact O-CG2 3.23Å; I394-V398 PolarHBondContact O-N 3.34Å |
| 395 | A | 90.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L359 Y391 A392 A399 | L359-A395 HydrophobicContact CD2-CB 3.91Å; Y391-A395 WeakPolarHBondContact O-CB 3.41Å; Y391-A395 PolarHBondContact O-N 2.96Å; A392-A395 PolarHBondContact O-N 2.94Å; A395-A399 VanDerWaalsContact O-CB 3.24Å; A395-A399 WeakPolarHBondContact O-CB 3.33Å; A395-A399 PolarHBondContact O-N 2.82Å |
| 396 | L | 92.6 | Very high | 90.2 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 175.1 | -176 | 64.4 | 0 | 0 | 0 | 111.9 | T355 A392 L393 I394 A399 L400 | T355-L396 HydrophobicContact CG2-CB 4.35Å; T355-L396 HydrophobicContact CG2-CD1 4.17Å; A392-L396 WeakPolarHBondContact O-CB 3.32Å; A392-L396 PolarHBondContact O-N 3.27Å; L393-L396 PolarHBondContact O-N 3.14Å; I394-L396 VanDerWaalsContact C-N 3.34Å; I394-L396 PolarHBondContact O-N 2.92Å; L396-A399 PolarHBondContact O-N 3.09Å; L396-L400 HydrophobicContact CD1-CD1 4Å; L396-L400 HydrophobicContact CD1-CG 4.13Å; L396-L400 HydrophobicContact CG-CD1 3.98Å; L396-L400 HydrophobicContact CG-CG 4.43Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.36Å; L396-L400 PolarHBondContact O-N 2.87Å |
| 397 | A | 92.6 | Very high | 90.7 | Very high | 60 Ų | 60 | 63 Ų | 63 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L393 I394 F401 | L393-A397 VanDerWaalsContact O-CB 3.28Å; L393-A397 WeakPolarHBondContact O-CB 3.3Å; L393-A397 PolarHBondContact O-N 2.91Å; I394-A397 PolarHBondContact O-N 2.88Å; A397-F401 WeakPolarHBondContact O-CB 3.45Å; A397-F401 PolarHBondContact O-N 3.39Å |
| 398 | V | 90.4 | Very high | 91.1 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 177.7 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | F304 I394 L400 F401 C402 | F304-V398 HydrophobicContact CB-CG1 4.45Å; F304-V398 HydrophobicContact CD1-CG1 3.89Å; F304-V398 HydrophobicContact CE1-CG1 4.32Å; F304-V398 HydrophobicContact CG-CG1 4.15Å; I394-V398 HydrophobicContact CG2-CG2 4.36Å; I394-V398 WeakPolarHBondContact O-CB 3.14Å; I394-V398 VanDerWaalsContact O-CG2 3.31Å; I394-V398 WeakPolarHBondContact O-CG2 3.23Å; I394-V398 PolarHBondContact O-N 3.34Å; V398-L400 PolarHBondContact O-N 2.82Å; V398-F401 PolarHBondContact O-N 3.38Å; V398-C402 WeakPolarHBondContact O-CB 3.34Å; V398-C402 PolarHBondContact O-N 3.02Å; V398-C402 PolarHBondContact O-SG 3.22Å |
| 399 | A | 90.5 | Very high | 91.3 | Very high | 26 Ų | 26 | 61 Ų | 61 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T355 A395 L396 C402 S403 | T355-A399 WeakPolarHBondContact OG1-CB 3.42Å; A395-A399 VanDerWaalsContact O-CB 3.24Å; A395-A399 WeakPolarHBondContact O-CB 3.33Å; A395-A399 PolarHBondContact O-N 2.82Å; L396-A399 PolarHBondContact O-N 3.09Å; A399-C402 PolarHBondContact O-N 3.48Å; A399-S403 WeakPolarHBondContact O-CB 3.28Å; A399-S403 PolarHBondContact O-N 2.83Å; A399-S403 PolarHBondContact O-OG 2.86Å |
| 400 | L | 92.4 | Very high | 91.3 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 174.4 | -70.7 | 179 | 0 | 0 | 0 | 111.4 | T348 L396 V398 C402 S403 V404 | T348-L400 HydrophobicContact CG2-CD2 4.01Å; L396-L400 HydrophobicContact CD1-CD1 4Å; L396-L400 HydrophobicContact CD1-CG 4.13Å; L396-L400 HydrophobicContact CG-CD1 3.98Å; L396-L400 HydrophobicContact CG-CG 4.43Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.36Å; L396-L400 PolarHBondContact O-N 2.87Å; V398-L400 PolarHBondContact O-N 2.82Å; L400-C402 VanDerWaalsContact C-N 3.33Å; L400-C402 PolarHBondContact O-N 2.92Å; L400-S403 WeakPolarHBondContact CA-OG 3.44Å; L400-S403 PolarHBondContact O-N 2.73Å; L400-S403 PolarHBondContact O-OG 3.03Å; L400-V404 HydrophobicContact CD2-CG2 4.18Å; L400-V404 WeakPolarHBondContact O-CA 3.43Å; L400-V404 WeakPolarHBondContact O-CB 3.33Å; L400-V404 WeakPolarHBondContact O-CG2 3.14Å; L400-V404 PolarHBondContact O-N 3.47Å |
| 401 | F | 91.9 | Very high | 91.5 | Very high | 160 Ų | 160 | 52.7 Ų | 52.7 | 70% | 0.702 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 174.5 | 179.2 | -98.5 | 0 | 0 | 0 | 111.6 | A397 V398 G405 | A397-F401 WeakPolarHBondContact O-CB 3.45Å; A397-F401 PolarHBondContact O-N 3.39Å; V398-F401 PolarHBondContact O-N 3.38Å; F401-G405 WeakPolarHBondContact O-CA 3.31Å; F401-G405 PolarHBondContact O-N 2.95Å |
| 402 | C | 90.2 | Very high | 91.6 | Very high | 22 Ų | 22 | 51.8 Ų | 51.8 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67 | -45.3 | 177.6 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | A308 V398 A399 L400 S406 | A308-C402 HydrophobicContact CB-CB 4.42Å; A308-C402 VanDerWaalsContact CB-SG 3.5Å; V398-C402 WeakPolarHBondContact O-CB 3.34Å; V398-C402 PolarHBondContact O-N 3.02Å; V398-C402 PolarHBondContact O-SG 3.22Å; A399-C402 PolarHBondContact O-N 3.48Å; L400-C402 VanDerWaalsContact C-N 3.33Å; L400-C402 PolarHBondContact O-N 2.92Å; C402-S406 WeakPolarHBondContact O-CB 3.48Å; C402-S406 PolarHBondContact O-N 3.06Å; C402-S406 PolarHBondContact O-OG 3.07Å |
| 403 | S | 90.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77 | -57.6 | -177.2 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | A399 L400 S406 A407 | A399-S403 WeakPolarHBondContact O-CB 3.28Å; A399-S403 PolarHBondContact O-N 2.83Å; A399-S403 PolarHBondContact O-OG 2.86Å; L400-S403 WeakPolarHBondContact CA-OG 3.44Å; L400-S403 PolarHBondContact O-N 2.73Å; L400-S403 PolarHBondContact O-OG 3.03Å; S403-S406 PolarHBondContact O-OG 3.43Å; S403-A407 PolarHBondContact O-N 3.33Å |
| 404 | V | 93.7 | Very high | 91.1 | Very high | 36 Ų | 36 | 55 Ų | 55 | 22% | 0.218 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71 | -41.5 | -178.4 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | L344 A347 T348 L400 S406 A407 W408 | L344-V404 HydrophobicContact CD2-CG1 3.85Å; A347-V404 HydrophobicContact CB-CG2 4.38Å; T348-V404 VanDerWaalsContact OG1-CG2 3.27Å; T348-V404 WeakPolarHBondContact OG1-CG2 3.5Å; L400-V404 HydrophobicContact CD2-CG2 4.18Å; L400-V404 WeakPolarHBondContact O-CA 3.43Å; L400-V404 WeakPolarHBondContact O-CB 3.33Å; L400-V404 WeakPolarHBondContact O-CG2 3.14Å; L400-V404 PolarHBondContact O-N 3.47Å; V404-S406 VanDerWaalsContact C-N 3.35Å; V404-S406 PolarHBondContact O-N 2.83Å; V404-A407 PolarHBondContact O-N 3.37Å; V404-W408 VanDerWaalsContact O-CB 3.28Å; V404-W408 WeakPolarHBondContact O-CB 3.5Å; V404-W408 PolarHBondContact O-N 2.85Å |
| 405 | G | 92.7 | Very high | 91.1 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F401 W408 L409 | F401-G405 WeakPolarHBondContact O-CA 3.31Å; F401-G405 PolarHBondContact O-N 2.95Å; G405-W408 PolarHBondContact O-N 3.13Å; G405-L409 VanDerWaalsContact O-CG 3.28Å; G405-L409 WeakPolarHBondContact O-CG 3.4Å; G405-L409 PolarHBondContact O-N 3.43Å |
| 406 | S | 90 | Very high | 91 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 174.9 | 58 | 0 | 0 | 0 | 0 | 112.9 | L312 M315 C402 S403 V404 W408 L409 V410 | L312-S406 VanDerWaalsContact CD1-CB 3.47Å; M315-S406 WeakPolarHBondContact CB-OG 3.49Å; M315-S406 WeakPolarHBondContact CG-OG 3.4Å; C402-S406 WeakPolarHBondContact O-CB 3.48Å; C402-S406 PolarHBondContact O-N 3.06Å; C402-S406 PolarHBondContact O-OG 3.07Å; S403-S406 PolarHBondContact O-OG 3.43Å; V404-S406 VanDerWaalsContact C-N 3.35Å; V404-S406 PolarHBondContact O-N 2.83Å; S406-W408 VanDerWaalsContact C-N 3.31Å; S406-W408 PolarHBondContact O-N 3.39Å; S406-L409 PolarHBondContact O-N 2.88Å; S406-V410 WeakPolarHBondContact O-CG2 3.49Å; S406-V410 PolarHBondContact O-N 2.72Å |
| 407 | A | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M315 L344 A347 S403 V404 L409 V410 L411 | M315-A407 HydrophobicContact CB-CB 4.45Å; L344-A407 HydrophobicContact CD2-CB 4.18Å; A347-A407 HydrophobicContact CB-CB 3.94Å; S403-A407 PolarHBondContact O-N 3.33Å; V404-A407 PolarHBondContact O-N 3.37Å; A407-L409 PolarHBondContact O-N 3.21Å; A407-V410 PolarHBondContact O-N 3.25Å; A407-L411 HydrophobicContact CB-CD1 4.5Å; A407-L411 VanDerWaalsContact O-CB 3.32Å; A407-L411 WeakPolarHBondContact O-CB 3.38Å; A407-L411 WeakPolarHBondContact O-CD1 3.29Å; A407-L411 WeakPolarHBondContact O-CG 3.5Å; A407-L411 PolarHBondContact O-N 2.96Å |
| 408 | W | 93.2 | Very high | 90.6 | Very high | 121 Ų | 121 | 58 Ų | 58 | 46% | 0.458 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 177.6 | 176.1 | 80.6 | 0 | 0 | 0 | 112.9 | L344 V404 G405 S406 V410 L411 R412 | L344-W408 HydrophobicContact CD2-CB 3.86Å; V404-W408 VanDerWaalsContact O-CB 3.28Å; V404-W408 WeakPolarHBondContact O-CB 3.5Å; V404-W408 PolarHBondContact O-N 2.85Å; G405-W408 PolarHBondContact O-N 3.13Å; S406-W408 VanDerWaalsContact C-N 3.31Å; S406-W408 PolarHBondContact O-N 3.39Å; W408-V410 VanDerWaalsContact C-N 3.32Å; W408-V410 PolarHBondContact O-N 3.02Å; W408-L411 PolarHBondContact O-N 2.88Å; W408-R412 VanDerWaalsContact CZ2-NH1 3.26Å; W408-R412 VanDerWaalsContact O-CB 3.26Å; W408-R412 WeakPolarHBondContact O-CB 3.32Å; W408-R412 PolarHBondContact O-N 3.07Å |
| 409 | L | 91.2 | Very high | 90.5 | Very high | 101 Ų | 101 | 57.7 Ų | 57.7 | 53% | 0.529 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 178.7 | -76.9 | 171.5 | 0 | 0 | 0 | 111.9 | G405 S406 A407 Y413 | G405-L409 VanDerWaalsContact O-CG 3.28Å; G405-L409 WeakPolarHBondContact O-CG 3.4Å; G405-L409 PolarHBondContact O-N 3.43Å; S406-L409 PolarHBondContact O-N 2.88Å; A407-L409 PolarHBondContact O-N 3.21Å; L409-Y413 PolarHBondContact O-N 2.87Å |
| 410 | V | 89 | Confident | 90.4 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 11% | 0.109 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.5 | -44.7 | -178.6 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | T316 V319 S406 A407 W408 R412 Y413 D414 | T316-V410 HydrophobicContact CG2-CG1 4.33Å; T316-V410 HydrophobicContact CG2-CG2 4.01Å; T316-V410 WeakPolarHBondContact OG1-CG2 3.33Å; V319-V410 HydrophobicContact CB-CG1 3.86Å; V319-V410 HydrophobicContact CG1-CG1 3.74Å; V319-V410 HydrophobicContact CG2-CG1 4.39Å; S406-V410 WeakPolarHBondContact O-CG2 3.49Å; S406-V410 PolarHBondContact O-N 2.72Å; A407-V410 PolarHBondContact O-N 3.25Å; W408-V410 VanDerWaalsContact C-N 3.32Å; W408-V410 PolarHBondContact O-N 3.02Å; V410-R412 VanDerWaalsContact C-N 3.3Å; V410-R412 PolarHBondContact O-N 2.93Å; V410-Y413 WeakPolarHBondContact O-CB 3.05Å; V410-Y413 PolarHBondContact O-N 2.81Å; V410-Y413 VanDerWaalsContact O-N 3.07Å; V410-D414 PolarHBondContact O-N 3.31Å |
| 411 | L | 92.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 176.6 | -72.5 | 163.6 | 0 | 0 | 0 | 111.7 | V319 L326 A340 Y343 L344 A407 W408 Y413 D414 L415 | V319-L411 HydrophobicContact CG1-CD2 3.92Å; V319-L411 HydrophobicContact CG1-CG 4.36Å; V319-L411 HydrophobicContact CG2-CD2 4.3Å; V319-L411 HydrophobicContact CG2-CG 4.25Å; L326-L411 HydrophobicContact CD1-CD2 4.47Å; L326-L411 HydrophobicContact CD2-CD2 4.15Å; A340-L411 HydrophobicContact CB-CD1 4.29Å; Y343-L411 HydrophobicContact CD2-CD2 4Å; Y343-L411 HydrophobicContact CG-CD2 4.16Å; L344-L411 HydrophobicContact CD2-CD1 4.11Å; L344-L411 HydrophobicContact CG-CD1 4.14Å; A407-L411 HydrophobicContact CB-CD1 4.5Å; A407-L411 VanDerWaalsContact O-CB 3.32Å; A407-L411 WeakPolarHBondContact O-CB 3.38Å; A407-L411 WeakPolarHBondContact O-CD1 3.29Å; A407-L411 WeakPolarHBondContact O-CG 3.5Å; A407-L411 PolarHBondContact O-N 2.96Å; W408-L411 PolarHBondContact O-N 2.88Å; L411-Y413 PolarHBondContact O-N 3.11Å; L411-D414 PolarHBondContact O-N 3.06Å; L411-L415 HydrophobicContact CB-CD1 4.19Å; L411-L415 HydrophobicContact CD2-CD1 4.48Å; L411-L415 WeakPolarHBondContact O-CB 3.31Å; L411-L415 VanDerWaalsContact O-CG 3.24Å; L411-L415 WeakPolarHBondContact O-CG 3.28Å; L411-L415 PolarHBondContact O-N 2.81Å |
| 412 | R | 90.7 | Very high | 90 | Very high | 130 Ų | 130 | 52.6 Ų | 52.6 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.6 | -33 | 176.7 | -175 | 177 | 179.7 | 162.2 | 2 | 112.3 | W408 V410 R416 | W408-R412 VanDerWaalsContact CZ2-NH1 3.26Å; W408-R412 VanDerWaalsContact O-CB 3.26Å; W408-R412 WeakPolarHBondContact O-CB 3.32Å; W408-R412 PolarHBondContact O-N 3.07Å; V410-R412 VanDerWaalsContact C-N 3.3Å; V410-R412 PolarHBondContact O-N 2.93Å; R412-R416 WeakPolarHBondContact O-CD 3.31Å; R412-R416 WeakPolarHBondContact O-CG 3.35Å |
| 413 | Y | 87.7 | Confident | 89.9 | Confident | 176 Ų | 176 | 56 Ų | 56 | 69% | 0.69 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -76.1 | -52 | 175.9 | -178.3 | -95.4 | 0 | 0 | 0 | 111.6 | L409 V410 L411 R416 | L409-Y413 PolarHBondContact O-N 2.87Å; V410-Y413 WeakPolarHBondContact O-CB 3.05Å; V410-Y413 PolarHBondContact O-N 2.81Å; V410-Y413 VanDerWaalsContact O-N 3.07Å; L411-Y413 PolarHBondContact O-N 3.11Å; Y413-R416 PolarHBondContact O-N 2.82Å |
| 414 | D | 88 | Confident | 89.4 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.4 | -37.2 | -175.3 | -82.5 | -13.8 | 0 | 0 | 0 | 112.5 | L326 V410 L411 R416 A417 L422 K426 | L326-D414 HydrophobicContact CD1-CB 4.39Å; V410-D414 PolarHBondContact O-N 3.31Å; L411-D414 PolarHBondContact O-N 3.06Å; D414-R416 PolarHBondContact O-N 2.97Å; D414-A417 VanDerWaalsContact O-CB 3.27Å; D414-A417 WeakPolarHBondContact O-CB 3.41Å; D414-A417 PolarHBondContact O-N 2.73Å; D414-L422 HydrophobicContact CB-CD2 4.22Å; D414-K426 IonicContact OD1-NZ 2.64Å; D414-K426 IonicContact OD2-NZ 3.45Å |
| 415 | L | 90.7 | Very high | 88.4 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -10.5 | 178.7 | -67.9 | 171.1 | 0 | 0 | 0 | 113.8 | L326 K330 N336 I339 A340 L411 A417 | L326-L415 HydrophobicContact CD2-CD2 4.41Å; K330-L415 PolarHBondContact NZ-O 3.21Å; N336-L415 HydrophobicContact CB-CB 4.34Å; N336-L415 HydrophobicContact CB-CD1 4.26Å; N336-L415 PolarHBondContact ND2-O 2.66Å; N336-L415 WeakPolarHBondContact O-CD1 3.3Å; I339-L415 HydrophobicContact CB-CD2 4.24Å; I339-L415 HydrophobicContact CD1-CD2 4.33Å; I339-L415 HydrophobicContact CG2-CD2 3.99Å; A340-L415 HydrophobicContact CB-CD1 3.91Å; L411-L415 HydrophobicContact CB-CD1 4.19Å; L411-L415 HydrophobicContact CD2-CD1 4.48Å; L411-L415 WeakPolarHBondContact O-CB 3.31Å; L411-L415 VanDerWaalsContact O-CG 3.24Å; L411-L415 WeakPolarHBondContact O-CG 3.28Å; L411-L415 PolarHBondContact O-N 2.81Å; L415-A417 VanDerWaalsContact C-N 3.33Å |
| 416 | R | 88.4 | Confident | 87.5 | Confident | 183 Ų | 183 | 67.5 Ų | 67.5 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -21 | 168.4 | -75.2 | 174.6 | 173.3 | -170.9 | -5 | 112.6 | R412 Y413 D414 | R412-R416 WeakPolarHBondContact O-CD 3.31Å; R412-R416 WeakPolarHBondContact O-CG 3.35Å; Y413-R416 PolarHBondContact O-N 2.82Å; D414-R416 PolarHBondContact O-N 2.97Å |
| 417 | A | 88 | Confident | 86.6 | Confident | 26 Ų | 26 | 71.6 Ų | 71.6 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -75.2 | 158.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | K330 D414 L415 L422 | K330-A417 PolarHBondContact NZ-O 3.4Å; D414-A417 VanDerWaalsContact O-CB 3.27Å; D414-A417 WeakPolarHBondContact O-CB 3.41Å; D414-A417 PolarHBondContact O-N 2.73Å; L415-A417 VanDerWaalsContact C-N 3.33Å; A417-L422 HydrophobicContact CB-CD2 4.14Å; A417-L422 HydrophobicContact CB-CG 4.17Å |
| 418 | T | 88.6 | Confident | 85.5 | Confident | 81 Ų | 81 | 75 Ų | 75 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | trans | -76.5 | 152.1 | 179.4 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | A420 T421 L422 | T418-A420 VanDerWaalsContact C-N 3.31Å; T418-A420 PolarHBondContact O-N 2.92Å; T418-T421 PolarHBondContact N-OG1 2.97Å; T418-T421 PolarHBondContact O-N 3.44Å; T418-T421 VanDerWaalsContact O-N 3.07Å; T418-T421 PolarHBondContact O-OG1 3.28Å; T418-T421 VanDerWaalsContact OG1-CG2 3.29Å; T418-T421 WeakPolarHBondContact OG1-CG2 3.04Å; T418-T421 PolarHBondContact OG1-OG1 3.04Å; T418-L422 PolarHBondContact O-N 3.26Å | ||
| 419 | P | 89 | Confident | 84.3 | Confident | 40 Ų | 40 | 74.3 Ų | 74.3 | 26% | 0.26 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -52.4 | -45.7 | -178.6 | -26 | 32.9 | 0 | 0 | 0 | 113.6 | K330 A331 T421 L422 M423 | K330-P419 HydrophobicContact CB-CB 4.45Å; K330-P419 HydrophobicContact CB-CG 4.12Å; K330-P419 HydrophobicContact CD-CG 4.04Å; K330-P419 HydrophobicContact CG-CG 3.91Å; A331-P419 HydrophobicContact CB-CB 4.15Å; P419-T421 VanDerWaalsContact C-N 3.29Å; P419-T421 PolarHBondContact O-N 2.69Å; P419-L422 WeakPolarHBondContact O-CB 3.17Å; P419-L422 PolarHBondContact O-N 3.43Å; P419-M423 WeakPolarHBondContact O-CG 3.18Å; P419-M423 PolarHBondContact O-N 2.81Å |
| 420 | A | 88 | Confident | 83.2 | Confident | 67 Ų | 67 | 76.4 Ų | 76.4 | 55% | 0.554 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.9 | -39.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T418 L422 M423 Q424 | T418-A420 VanDerWaalsContact C-N 3.31Å; T418-A420 PolarHBondContact O-N 2.92Å; A420-L422 VanDerWaalsContact C-N 3.31Å; A420-L422 PolarHBondContact O-N 3.36Å; A420-M423 PolarHBondContact O-N 2.94Å; A420-Q424 PolarHBondContact O-N 2.93Å |
| 421 | T | 88.1 | Confident | 81.8 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 36% | 0.362 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.5 | -24.4 | 177.6 | 63.3 | 0 | 0 | 0 | 0 | 113.6 | R323 T418 P419 | R323-T421 VanDerWaalsContact CZ-O 3.28Å; R323-T421 PolarHBondContact NH1-O 3.46Å; R323-T421 VanDerWaalsContact NH1-O 3.09Å; R323-T421 PolarHBondContact NH2-O 2.85Å; R323-T421 VanDerWaalsContact NH2-O 3.13Å; T418-T421 PolarHBondContact N-OG1 2.97Å; T418-T421 PolarHBondContact O-N 3.44Å; T418-T421 VanDerWaalsContact O-N 3.07Å; T418-T421 PolarHBondContact O-OG1 3.28Å; T418-T421 VanDerWaalsContact OG1-CG2 3.29Å; T418-T421 WeakPolarHBondContact OG1-CG2 3.04Å; T418-T421 PolarHBondContact OG1-OG1 3.04Å; P419-T421 VanDerWaalsContact C-N 3.29Å; P419-T421 PolarHBondContact O-N 2.69Å |
| 422 | L | 87.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -81 | -30.2 | 176.7 | -70.4 | 173.6 | 0 | 0 | 0 | 112 | R323 N324 L326 G327 K330 D414 A417 T418 P419 A420 Q424 | R323-L422 CarbonylContact C-O 3.42Å; R323-L422 HydrophobicContact CG-CB 4.47Å; R323-L422 HydrophobicContact CG-CD2 3.73Å; N324-L422 PolarHBondContact OD1-O 3.07Å; N324-L422 VanDerWaalsContact OD1-O 3.11Å; L326-L422 HydrophobicContact CB-CD1 4.42Å; G327-L422 VanDerWaalsContact CA-CB 3.48Å; K330-L422 HydrophobicContact CD-CD1 4.24Å; D414-L422 HydrophobicContact CB-CD2 4.22Å; A417-L422 HydrophobicContact CB-CD2 4.14Å; A417-L422 HydrophobicContact CB-CG 4.17Å; T418-L422 PolarHBondContact O-N 3.26Å; P419-L422 WeakPolarHBondContact O-CB 3.17Å; P419-L422 PolarHBondContact O-N 3.43Å; A420-L422 VanDerWaalsContact C-N 3.31Å; A420-L422 PolarHBondContact O-N 3.36Å; L422-Q424 VanDerWaalsContact C-N 3.25Å; L422-Q424 PolarHBondContact O-N 3.35Å |
| 423 | M | 87.2 | Confident | 79.4 | Confident | 93 Ų | 93 | 91.4 Ų | 91.4 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.9 | -13.8 | 175.8 | -64.6 | 177.7 | 87.5 | 0 | 0 | 113.2 | N324 P419 A420 | N324-M423 PolarHBondContact OD1-O 2.86Å; P419-M423 WeakPolarHBondContact O-CG 3.18Å; P419-M423 PolarHBondContact O-N 2.81Å; A420-M423 PolarHBondContact O-N 2.94Å |
| 424 | Q | 81.4 | Confident | 78.7 | Confident | 131 Ų | 131 | 83.5 Ų | 83.5 | 61% | 0.612 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -91.2 | 139.9 | 171.8 | -68.9 | -177.6 | 0.4 | 0 | 0 | 110.9 | R323 A420 L422 | R323-Q424 PolarHBondContact NH1-O 3.37Å; A420-Q424 PolarHBondContact O-N 2.93Å; L422-Q424 VanDerWaalsContact C-N 3.25Å; L422-Q424 PolarHBondContact O-N 3.35Å |
| 425 | P | 73.1 | Confident | 77.9 | Confident | 92 Ų | 92 | 90.1 Ų | 90.1 | 60% | 0.597 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 143.7 | 171.6 | 25.5 | -32.9 | 0 | 0 | 0 | 110.1 | A427 | P425-A427 PolarHBondContact O-N 3.26Š|
| 426 | K | 73 | Confident | 77 | Confident | 79 Ų | 79 | 92 Ų | 92 | 34% | 0.343 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 129.4 | 176.6 | -75.2 | -172.5 | -178 | -176.3 | 0 | 109.1 | E320 R323 D414 | E320-K426 HydrophobicContact CG-CD 4.47Å; E320-K426 IonicContact OE1-NZ 3.06Å; E320-K426 PolarHBondContact OE1-NZ 2.73Å; R323-K426 VanDerWaalsContact NH1-CG 3.29Å; D414-K426 IonicContact OD1-NZ 2.64Å; D414-K426 IonicContact OD2-NZ 3.45Å |
| 427 | A | 71.4 | Confident | 76.5 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 75% | 0.752 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 135.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | P425 | P425-A427 PolarHBondContact O-N 3.26Š|
| 428 | P | 68.2 | Low | 75.9 | Confident | 72 Ų | 72 | 93.7 Ų | 93.7 | 47% | 0.468 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 145.3 | 176.6 | 26.5 | -33 | 0 | 0 | 0 | 110 | N430 | P428-N430 PolarHBondContact O-N 3.11Š|
| 429 | K | 68.4 | Low | 75.5 | Confident | 107 Ų | 107 | 93.6 Ų | 93.6 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 133.3 | 176.9 | -68 | -176.5 | 179.3 | 176.4 | 0 | 110 | G431 | K429-G431 PolarHBondContact O-N 3.37Š|
| 430 | N | 67.7 | Low | 74.9 | Confident | 145 Ų | 145 | 93.2 Ų | 93.2 | 78% | 0.775 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 127.9 | 176.8 | -73.5 | -18.1 | 0 | 0 | 0 | 111.3 | P428 K432 | P428-N430 PolarHBondContact O-N 3.11Å; N430-K432 PolarHBondContact O-N 2.87Å |
| 431 | G | 60.4 | Low | 74.7 | Confident | 53 Ų | 53 | 97 Ų | 97 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | trans | -68.3 | 113.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K429 | K429-G431 PolarHBondContact O-N 3.37Š| ||
| 432 | K | 64.6 | Low | 74.3 | Confident | 183 Ų | 183 | 98.5 Ų | 98.5 | 80% | 0.796 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -98 | 152.8 | 170.5 | -67.1 | -172.1 | 178.4 | -175 | 0 | 110.5 | N430 | N430-K432 PolarHBondContact O-N 2.87Š|
| 433 | R | 66.9 | Low | 74.1 | Confident | 229 Ų | 229 | 100.2 Ų | 100.2 | 86% | 0.864 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 139.7 | 171.6 | -65.4 | -170.5 | -166 | -179.6 | 3.9 | 110.5 | E437 | R433-E437 VanDerWaalsContact CB-OE2 3.3Å; R433-E437 WeakPolarHBondContact CB-OE2 3.48Å; R433-E437 WeakPolarHBondContact CG-OE2 3.17Å |
| 434 | I | 73.1 | Confident | 73.7 | Confident | 11 Ų | 11 | 106 Ų | 106 | 6% | 0.056 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 153.8 | -178.5 | 61.2 | 176.1 | 0 | 0 | 0 | 110.7 | L436 E437 W443 L454 R455 F458 | I434-L436 HydrophobicContact CD1-CB 3.96Å; I434-L436 HydrophobicContact CG1-CB 4.24Å; I434-L436 PolarHBondContact O-N 3.05Å; I434-E437 HydrophobicContact CD1-CG 4.3Å; I434-E437 HydrophobicContact CG1-CB 4.27Å; I434-E437 HydrophobicContact CG1-CG 3.61Å; I434-E437 WeakPolarHBondContact O-CB 3.36Å; I434-E437 PolarHBondContact O-N 3.32Å; I434-E437 VanDerWaalsContact O-N 3.16Å; I434-W443 HydrophobicContact CD1-CH2 3.85Å; I434-W443 HydrophobicContact CD1-CZ3 3.68Å; I434-L454 HydrophobicContact CD1-CB 4.28Å; I434-R455 HydrophobicContact CD1-CG 4.17Å; I434-F458 HydrophobicContact CB-CB 4.41Å; I434-F458 HydrophobicContact CB-CD2 4.37Å; I434-F458 HydrophobicContact CB-CG 4.49Å; I434-F458 HydrophobicContact CD1-CD2 4.41Å; I434-F458 HydrophobicContact CG2-CB 3.42Å; I434-F458 VanDerWaalsContact CG2-CB 3.42Å; I434-F458 HydrophobicContact CG2-CD2 4.06Å; I434-F458 HydrophobicContact CG2-CG 3.95Å |
| 435 | F | 72.8 | Confident | 73.9 | Confident | 141 Ų | 141 | 108.8 Ų | 108.8 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -61.5 | -33.8 | 177.7 | -175.2 | -99 | 0 | 0 | 0 | 112.4 | E437 R438 L439 | F435-E437 PolarHBondContact O-N 2.68Å; F435-R438 WeakPolarHBondContact O-CB 3.36Å; F435-R438 PolarHBondContact O-N 2.87Å; F435-L439 HydrophobicContact CD1-CD1 4.39Å; F435-L439 HydrophobicContact CE1-CD1 4.19Å |
| 436 | L | 71.5 | Confident | 74.3 | Confident | 48 Ų | 48 | 106.3 Ų | 106.3 | 25% | 0.251 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -61.9 | -21.4 | 177.2 | -69 | 167.4 | 0 | 0 | 0 | 113.9 | I434 R438 L439 L454 F458 | I434-L436 HydrophobicContact CD1-CB 3.96Å; I434-L436 HydrophobicContact CG1-CB 4.24Å; I434-L436 PolarHBondContact O-N 3.05Å; L436-R438 PolarHBondContact O-N 3.47Å; L436-L439 HydrophobicContact CD2-CD1 4.14Å; L436-L439 PolarHBondContact O-N 3.38Å; L436-L454 HydrophobicContact CD1-CD1 4.38Å; L436-L454 HydrophobicContact CD1-CD2 4.27Å; L436-F458 HydrophobicContact CD1-CD2 4.44Å; L436-F458 HydrophobicContact CD1-CE2 3.56Å; L436-F458 HydrophobicContact CD1-CZ 4.15Å |
| 437 | E | 76.8 | Confident | 74.7 | Confident | 43 Ų | 43 | 105 Ų | 105 | 20% | 0.201 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -68.9 | -22.6 | 173.3 | -77.1 | 172.7 | 175.1 | 0 | 0 | 112.3 | R433 I434 F435 W443 R455 | R433-E437 VanDerWaalsContact CB-OE2 3.3Å; R433-E437 WeakPolarHBondContact CB-OE2 3.48Å; R433-E437 WeakPolarHBondContact CG-OE2 3.17Å; I434-E437 HydrophobicContact CD1-CG 4.3Å; I434-E437 HydrophobicContact CG1-CB 4.27Å; I434-E437 HydrophobicContact CG1-CG 3.61Å; I434-E437 WeakPolarHBondContact O-CB 3.36Å; I434-E437 PolarHBondContact O-N 3.32Å; I434-E437 VanDerWaalsContact O-N 3.16Å; F435-E437 PolarHBondContact O-N 2.68Å; E437-W443 HydrophobicContact CG-CD2 4.18Å; E437-W443 HydrophobicContact CG-CE3 4.49Å; E437-W443 HydrophobicContact CG-CH2 4.17Å; E437-W443 HydrophobicContact CG-CZ2 3.82Å; E437-R455 IonicContact OE1-CZ 2.75Å; E437-R455 IonicContact OE1-NE 2.83Å; E437-R455 PolarHBondContact OE1-NE 3.25Å; E437-R455 IonicContact OE1-NH2 2.73Å; E437-R455 PolarHBondContact OE1-NH2 2.95Å |
| 438 | R | 75.5 | Confident | 75 | Confident | 202 Ų | 202 | 108.6 Ų | 108.6 | 76% | 0.762 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -25.1 | 174.9 | -56.6 | -177 | -161.8 | 173.9 | 3.7 | 112 | F435 L436 G440 | F435-R438 WeakPolarHBondContact O-CB 3.36Å; F435-R438 PolarHBondContact O-N 2.87Å; L436-R438 PolarHBondContact O-N 3.47Å; R438-G440 VanDerWaalsContact C-N 3.25Å; R438-G440 PolarHBondContact O-N 2.78Å |
| 439 | L | 80.7 | Confident | 75.2 | Confident | 79 Ų | 79 | 107.2 Ų | 107.2 | 41% | 0.414 | 50% | 0.498 | S | S | . | . | trans | -82.2 | 71.7 | 174.5 | -73.5 | 158.4 | 0 | 0 | 0 | 109.7 | F435 L436 F441 I442 W443 | F435-L439 HydrophobicContact CD1-CD1 4.39Å; F435-L439 HydrophobicContact CE1-CD1 4.19Å; L436-L439 HydrophobicContact CD2-CD1 4.14Å; L436-L439 PolarHBondContact O-N 3.38Å; L439-F441 PolarHBondContact O-N 3.27Å; L439-F441 VanDerWaalsContact O-N 3.09Å; L439-I442 PolarHBondContact O-N 3.3Å; L439-W443 PolarHBondContact O-N 2.88Å; L439-W443 VanDerWaalsContact O-N 3.12Å | ||
| 440 | G | 76 | Confident | 75.8 | Confident | 32 Ų | 32 | 105.8 Ų | 105.8 | 33% | 0.33 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.8 | -30.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R438 R444 | R438-G440 VanDerWaalsContact C-N 3.25Å; R438-G440 PolarHBondContact O-N 2.78Å; G440-R444 WeakPolarHBondContact O-CB 3.27Å; G440-R444 VanDerWaalsContact O-CG 3.25Å; G440-R444 WeakPolarHBondContact O-CG 3.23Å; G440-R444 PolarHBondContact O-N 3.41Å; G440-R444 VanDerWaalsContact O-N 3.08Å |
| 441 | F | 83.7 | Confident | 76.5 | Confident | 147 Ų | 147 | 101.2 Ų | 101.2 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.8 | -47.9 | 178.9 | -177.7 | -101.8 | 0 | 0 | 0 | 112.9 | L439 | L439-F441 PolarHBondContact O-N 3.27Å; L439-F441 VanDerWaalsContact O-N 3.09Å |
| 442 | I | 81.3 | Confident | 77.3 | Confident | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.8 | -43 | 179.1 | -56.2 | 174.1 | 0 | 0 | 0 | 109.1 | L439 R444 R445 L446 | L439-I442 PolarHBondContact O-N 3.3Å; I442-R444 VanDerWaalsContact C-N 3.29Å; I442-R444 PolarHBondContact O-N 3.04Å; I442-R445 PolarHBondContact O-N 3.3Å; I442-R445 VanDerWaalsContact O-N 3.16Å; I442-L446 HydrophobicContact CG2-CD1 4.42Å; I442-L446 WeakPolarHBondContact O-CG 3.12Å |
| 443 | W | 81.6 | Confident | 77.9 | Confident | 36 Ų | 36 | 92.4 Ų | 92.4 | 14% | 0.136 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.5 | -36 | -176.5 | -166.7 | -110.2 | 0 | 0 | 0 | 113.2 | I434 E437 L439 R445 L446 K451 L454 R455 | I434-W443 HydrophobicContact CD1-CH2 3.85Å; I434-W443 HydrophobicContact CD1-CZ3 3.68Å; E437-W443 HydrophobicContact CG-CD2 4.18Å; E437-W443 HydrophobicContact CG-CE3 4.49Å; E437-W443 HydrophobicContact CG-CH2 4.17Å; E437-W443 HydrophobicContact CG-CZ2 3.82Å; L439-W443 PolarHBondContact O-N 2.88Å; L439-W443 VanDerWaalsContact O-N 3.12Å; W443-R445 PolarHBondContact O-N 3.49Å; W443-L446 HydrophobicContact CE3-CD1 4.02Å; W443-L446 HydrophobicContact CZ3-CD1 4.33Å; W443-L446 PolarHBondContact O-N 3.25Å; W443-K451 HydrophobicContact CD2-CG 4.22Å; W443-K451 HydrophobicContact CE3-CG 4.32Å; W443-K451 HydrophobicContact CH2-CB 3.57Å; W443-K451 HydrophobicContact CH2-CG 3.71Å; W443-K451 HydrophobicContact CZ2-CB 3.65Å; W443-K451 HydrophobicContact CZ2-CD 4Å; W443-K451 HydrophobicContact CZ2-CG 3.59Å; W443-K451 HydrophobicContact CZ3-CB 4.28Å; W443-K451 HydrophobicContact CZ3-CG 4.06Å; W443-K451 WeakPolarHBondContact O-CE 2.98Å; W443-K451 PolarHBondContact O-NZ 3.09Å; W443-L454 HydrophobicContact CZ3-CB 4.45Å; W443-L454 HydrophobicContact CZ3-CD1 4.21Å; W443-R455 HydrophobicContact CH2-CG 4.07Å |
| 444 | R | 80.4 | Confident | 78.7 | Confident | 214 Ų | 214 | 83 Ų | 83 | 81% | 0.808 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.2 | -32.3 | 178.9 | -76.4 | 175.9 | -177.2 | -169 | 2 | 113.3 | G440 I442 L446 | G440-R444 WeakPolarHBondContact O-CB 3.27Å; G440-R444 VanDerWaalsContact O-CG 3.25Å; G440-R444 WeakPolarHBondContact O-CG 3.23Å; G440-R444 PolarHBondContact O-N 3.41Å; G440-R444 VanDerWaalsContact O-N 3.08Å; I442-R444 VanDerWaalsContact C-N 3.29Å; I442-R444 PolarHBondContact O-N 3.04Å; R444-L446 VanDerWaalsContact C-N 3.35Å |
| 445 | R | 85.3 | Confident | 79 | Confident | 191 Ų | 191 | 87.9 Ų | 87.9 | 72% | 0.721 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -80.5 | -12.2 | -178.8 | -64.5 | -169.8 | -174.2 | -158 | -0.6 | 114.3 | I442 W443 | I442-R445 PolarHBondContact O-N 3.3Å; I442-R445 VanDerWaalsContact O-N 3.16Å; W443-R445 PolarHBondContact O-N 3.49Å |
| 446 | L | 80.7 | Confident | 79.2 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -82 | 135.4 | -178.3 | -65.6 | 172.4 | 0 | 0 | 0 | 111.7 | I442 W443 R444 Q450 K451 L454 | I442-L446 HydrophobicContact CG2-CD1 4.42Å; I442-L446 WeakPolarHBondContact O-CG 3.12Å; W443-L446 HydrophobicContact CE3-CD1 4.02Å; W443-L446 HydrophobicContact CZ3-CD1 4.33Å; W443-L446 PolarHBondContact O-N 3.25Å; R444-L446 VanDerWaalsContact C-N 3.35Å; L446-Q450 HydrophobicContact CB-CB 4.18Å; L446-Q450 HydrophobicContact CD2-CB 4.19Å; L446-K451 HydrophobicContact CB-CG 3.94Å; L446-K451 WeakPolarHBondContact O-CE 3.44Å; L446-K451 PolarHBondContact O-NZ 2.81Å; L446-L454 HydrophobicContact CD1-CD1 3.54Å |
| 447 | S | 81.7 | Confident | 79.6 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | trans | -61.7 | 157.1 | 171.2 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | S449 Q450 K451 | S447-S449 VanDerWaalsContact C-N 3.26Å; S447-S449 PolarHBondContact O-N 3.36Å; S447-S449 PolarHBondContact OG-OG 3.39Å; S447-S449 VanDerWaalsContact OG-OG 3.07Å; S447-Q450 PolarHBondContact O-N 3.31Å; S447-Q450 VanDerWaalsContact O-N 3.08Å; S447-Q450 VanDerWaalsContact OG-CD 3.24Å; S447-Q450 VanDerWaalsContact OG-CG 3.3Å; S447-Q450 WeakPolarHBondContact OG-CG 3.4Å; S447-Q450 PolarHBondContact OG-N 3.34Å; S447-Q450 PolarHBondContact OG-OE1 3.48Å; S447-K451 WeakPolarHBondContact O-CG 3.31Å; S447-K451 PolarHBondContact O-N 3.37Å | ||
| 448 | F | 78 | Confident | 79.9 | Confident | 166 Ų | 166 | 80.3 Ų | 80.3 | 73% | 0.728 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -52.4 | -45.5 | 177.4 | -179.9 | -100.7 | 0 | 0 | 0 | 112 | Q450 K451 V452 | F448-Q450 PolarHBondContact O-N 2.82Å; F448-K451 WeakPolarHBondContact O-CB 3.47Å; F448-K451 PolarHBondContact O-N 2.61Å; F448-V452 HydrophobicContact CD1-CG2 4.26Å; F448-V452 HydrophobicContact CE1-CG2 3.88Å; F448-V452 HydrophobicContact CE2-CG2 4.29Å; F448-V452 HydrophobicContact CZ-CG2 3.89Å; F448-V452 WeakPolarHBondContact O-CG2 3.49Å; F448-V452 PolarHBondContact O-N 3.29Å |
| 449 | S | 72.6 | Confident | 80 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 177.1 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | S447 V452 T453 R749 | S447-S449 VanDerWaalsContact C-N 3.26Å; S447-S449 PolarHBondContact O-N 3.36Å; S447-S449 PolarHBondContact OG-OG 3.39Å; S447-S449 VanDerWaalsContact OG-OG 3.07Å; S449-V452 PolarHBondContact O-N 3.5Å; S449-T453 PolarHBondContact O-N 3.34Å; S449-T453 PolarHBondContact O-OG1 3.11Å; S449-R749 PolarHBondContact OG-NH1 2.88Å |
| 450 | Q | 79.6 | Confident | 79.7 | Confident | 77 Ų | 77 | 74.1 Ų | 74.1 | 36% | 0.36 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 177.6 | -72.3 | 162.5 | -26 | 0 | 0 | 112 | L446 S447 F448 V452 T453 L454 | L446-Q450 HydrophobicContact CB-CB 4.18Å; L446-Q450 HydrophobicContact CD2-CB 4.19Å; S447-Q450 PolarHBondContact O-N 3.31Å; S447-Q450 VanDerWaalsContact O-N 3.08Å; S447-Q450 VanDerWaalsContact OG-CD 3.24Å; S447-Q450 VanDerWaalsContact OG-CG 3.3Å; S447-Q450 WeakPolarHBondContact OG-CG 3.4Å; S447-Q450 PolarHBondContact OG-N 3.34Å; S447-Q450 PolarHBondContact OG-OE1 3.48Å; F448-Q450 PolarHBondContact O-N 2.82Å; Q450-V452 VanDerWaalsContact C-N 3.32Å; Q450-V452 PolarHBondContact O-N 3.17Å; Q450-T453 PolarHBondContact O-N 2.9Å; Q450-L454 WeakPolarHBondContact O-CG 3.39Å; Q450-L454 PolarHBondContact O-N 2.61Å |
| 451 | K | 83.4 | Confident | 80 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 21% | 0.213 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 174.8 | -70.7 | 172 | 173.3 | 151.5 | 0 | 111.2 | W443 L446 S447 F448 R455 | W443-K451 HydrophobicContact CD2-CG 4.22Å; W443-K451 HydrophobicContact CE3-CG 4.32Å; W443-K451 HydrophobicContact CH2-CB 3.57Å; W443-K451 HydrophobicContact CH2-CG 3.71Å; W443-K451 HydrophobicContact CZ2-CB 3.65Å; W443-K451 HydrophobicContact CZ2-CD 4Å; W443-K451 HydrophobicContact CZ2-CG 3.59Å; W443-K451 HydrophobicContact CZ3-CB 4.28Å; W443-K451 HydrophobicContact CZ3-CG 4.06Å; W443-K451 WeakPolarHBondContact O-CE 2.98Å; W443-K451 PolarHBondContact O-NZ 3.09Å; L446-K451 HydrophobicContact CB-CG 3.94Å; L446-K451 WeakPolarHBondContact O-CE 3.44Å; L446-K451 PolarHBondContact O-NZ 2.81Å; S447-K451 WeakPolarHBondContact O-CG 3.31Å; S447-K451 PolarHBondContact O-N 3.37Å; F448-K451 WeakPolarHBondContact O-CB 3.47Å; F448-K451 PolarHBondContact O-N 2.61Å; K451-R455 WeakPolarHBondContact O-CB 3.42Å; K451-R455 WeakPolarHBondContact O-CG 3.19Å; K451-R455 PolarHBondContact O-N 3.17Å |
| 452 | V | 77.5 | Confident | 79.8 | Confident | 47 Ų | 47 | 78.6 Ų | 78.6 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | F448 S449 Q450 L454 R455 N456 Y746 | F448-V452 HydrophobicContact CD1-CG2 4.26Å; F448-V452 HydrophobicContact CE1-CG2 3.88Å; F448-V452 HydrophobicContact CE2-CG2 4.29Å; F448-V452 HydrophobicContact CZ-CG2 3.89Å; F448-V452 WeakPolarHBondContact O-CG2 3.49Å; F448-V452 PolarHBondContact O-N 3.29Å; S449-V452 PolarHBondContact O-N 3.5Å; Q450-V452 VanDerWaalsContact C-N 3.32Å; Q450-V452 PolarHBondContact O-N 3.17Å; V452-L454 PolarHBondContact O-N 2.88Å; V452-R455 PolarHBondContact O-N 3.1Å; V452-N456 WeakPolarHBondContact O-CB 3.16Å; V452-N456 PolarHBondContact O-N 3.46Å; V452-Y746 HydrophobicContact CG1-CE2 4.08Å |
| 453 | T | 77.6 | Confident | 79.6 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57 | -47.7 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | S449 Q450 N456 L457 E750 L753 | S449-T453 PolarHBondContact O-N 3.34Å; S449-T453 PolarHBondContact O-OG1 3.11Å; Q450-T453 PolarHBondContact O-N 2.9Å; T453-N456 PolarHBondContact O-N 2.87Å; T453-L457 WeakPolarHBondContact O-CB 3.34Å; T453-L457 PolarHBondContact O-N 3.09Å; T453-E750 HydrophobicContact CG2-CB 4.1Å; T453-L753 HydrophobicContact CG2-CD1 4.19Å |
| 454 | L | 81.9 | Confident | 79.8 | Confident | 32 Ų | 32 | 74.9 Ų | 74.9 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 178.4 | -71 | 170 | 0 | 0 | 0 | 111.9 | I434 L436 W443 L446 Q450 V452 N456 L457 F458 | I434-L454 HydrophobicContact CD1-CB 4.28Å; L436-L454 HydrophobicContact CD1-CD1 4.38Å; L436-L454 HydrophobicContact CD1-CD2 4.27Å; W443-L454 HydrophobicContact CZ3-CB 4.45Å; W443-L454 HydrophobicContact CZ3-CD1 4.21Å; L446-L454 HydrophobicContact CD1-CD1 3.54Å; Q450-L454 WeakPolarHBondContact O-CG 3.39Å; Q450-L454 PolarHBondContact O-N 2.61Å; V452-L454 PolarHBondContact O-N 2.88Å; L454-N456 VanDerWaalsContact C-N 3.26Å; L454-N456 PolarHBondContact O-N 2.98Å; L454-L457 PolarHBondContact O-N 3.5Å; L454-F458 WeakPolarHBondContact O-CD2 3.43Å; L454-F458 PolarHBondContact O-N 3.3Å; L454-F458 VanDerWaalsContact O-N 3.14Å |
| 455 | R | 80.8 | Confident | 80.3 | Confident | 114 Ų | 114 | 69.1 Ų | 69.1 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.1 | -41.5 | 175.1 | -80 | 173.2 | 172.4 | -178.1 | -2.5 | 111.8 | I434 E437 W443 K451 V452 R459 | I434-R455 HydrophobicContact CD1-CG 4.17Å; E437-R455 IonicContact OE1-CZ 2.75Å; E437-R455 IonicContact OE1-NE 2.83Å; E437-R455 PolarHBondContact OE1-NE 3.25Å; E437-R455 IonicContact OE1-NH2 2.73Å; E437-R455 PolarHBondContact OE1-NH2 2.95Å; W443-R455 HydrophobicContact CH2-CG 4.07Å; K451-R455 WeakPolarHBondContact O-CB 3.42Å; K451-R455 WeakPolarHBondContact O-CG 3.19Å; K451-R455 PolarHBondContact O-N 3.17Å; V452-R455 PolarHBondContact O-N 3.1Å; R455-R459 WeakPolarHBondContact O-CB 3.32Å; R455-R459 PolarHBondContact O-N 3.11Å |
| 456 | N | 76.7 | Confident | 80.3 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.2 | -40.5 | -178.2 | -157.3 | 19.3 | 0 | 0 | 0 | 112.2 | V452 T453 L454 F458 R459 Y460 R726 E729 Y746 | V452-N456 WeakPolarHBondContact O-CB 3.16Å; V452-N456 PolarHBondContact O-N 3.46Å; T453-N456 PolarHBondContact O-N 2.87Å; L454-N456 VanDerWaalsContact C-N 3.26Å; L454-N456 PolarHBondContact O-N 2.98Å; N456-F458 VanDerWaalsContact C-N 3.34Å; N456-F458 PolarHBondContact O-N 2.98Å; N456-R459 WeakPolarHBondContact O-CB 3.35Å; N456-R459 PolarHBondContact O-N 3Å; N456-R459 VanDerWaalsContact O-N 3.15Å; N456-Y460 WeakPolarHBondContact OD1-CE2 3.13Å; N456-R726 VanDerWaalsContact ND2-CZ 3.27Å; N456-R726 PolarHBondContact ND2-NH1 2.79Å; N456-R726 PolarHBondContact ND2-NH2 2.83Å; N456-E729 PolarHBondContact ND2-OE1 2.94Å; N456-E729 PolarHBondContact ND2-OE2 3.39Å; N456-Y746 WeakPolarHBondContact CB-OH 3.32Å; N456-Y746 PolarHBondContact ND2-OH 3.43Å |
| 457 | L | 80.2 | Confident | 80.7 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.7 | -49 | 174.1 | -173.4 | 109.5 | 0 | 0 | 0 | 111.4 | T453 L454 R459 M464 E750 L754 | T453-L457 WeakPolarHBondContact O-CB 3.34Å; T453-L457 PolarHBondContact O-N 3.09Å; L454-L457 PolarHBondContact O-N 3.5Å; L457-R459 PolarHBondContact O-N 2.73Å; L457-M464 HydrophobicContact CD1-CG 4.33Å; L457-M464 HydrophobicContact CD2-CG 4.08Å; L457-M464 HydrophobicContact CD2-SD 3.44Å; L457-M464 WeakPolarHBondContact CD2-SD 3.45Å; L457-M464 HydrophobicContact CG-CG 3.91Å; L457-M464 HydrophobicContact CG-SD 3.79Å; L457-E750 HydrophobicContact CD1-CG 3.81Å; L457-L754 HydrophobicContact CD1-CD1 4.29Å; L457-L754 HydrophobicContact CD1-CD2 3.54Å; L457-L754 HydrophobicContact CD1-CG 3.72Å; L457-L754 HydrophobicContact CG-CD2 4.45Å |
| 458 | F | 82.2 | Confident | 81.2 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 28% | 0.281 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -78.4 | -14.3 | 179.6 | -74.3 | -73.2 | 0 | 0 | 0 | 114.5 | I434 L436 L454 N456 Y460 K461 M464 | I434-F458 HydrophobicContact CB-CB 4.41Å; I434-F458 HydrophobicContact CB-CD2 4.37Å; I434-F458 HydrophobicContact CB-CG 4.49Å; I434-F458 HydrophobicContact CD1-CD2 4.41Å; I434-F458 HydrophobicContact CG2-CB 3.42Å; I434-F458 VanDerWaalsContact CG2-CB 3.42Å; I434-F458 HydrophobicContact CG2-CD2 4.06Å; I434-F458 HydrophobicContact CG2-CG 3.95Å; L436-F458 HydrophobicContact CD1-CD2 4.44Å; L436-F458 HydrophobicContact CD1-CE2 3.56Å; L436-F458 HydrophobicContact CD1-CZ 4.15Å; L454-F458 WeakPolarHBondContact O-CD2 3.43Å; L454-F458 PolarHBondContact O-N 3.3Å; L454-F458 VanDerWaalsContact O-N 3.14Å; N456-F458 VanDerWaalsContact C-N 3.34Å; N456-F458 PolarHBondContact O-N 2.98Å; F458-Y460 VanDerWaalsContact C-N 3.3Å; F458-K461 VanDerWaalsContact O-CG 3.23Å; F458-K461 WeakPolarHBondContact O-CG 3.39Å; F458-M464 HydrophobicContact CD1-SD 4.27Å; F458-M464 HydrophobicContact CE1-CE 4.48Å; F458-M464 HydrophobicContact CE1-SD 4.21Å |
| 459 | R | 77.3 | Confident | 81.9 | Confident | 107 Ų | 107 | 54.8 Ų | 54.8 | 40% | 0.404 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 172.7 | -175.5 | -178.3 | -70.8 | -171.7 | -4.1 | 111 | R455 N456 L457 | R455-R459 WeakPolarHBondContact O-CB 3.32Å; R455-R459 PolarHBondContact O-N 3.11Å; N456-R459 WeakPolarHBondContact O-CB 3.35Å; N456-R459 PolarHBondContact O-N 3Å; N456-R459 VanDerWaalsContact O-N 3.15Å; L457-R459 PolarHBondContact O-N 2.73Å |
| 460 | Y | 75.3 | Confident | 82.8 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 17% | 0.169 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 62.9 | -178.4 | -58 | -81.6 | 0 | 0 | 0 | 112.1 | N456 F458 Q462 R463 M464 | N456-Y460 WeakPolarHBondContact OD1-CE2 3.13Å; F458-Y460 VanDerWaalsContact C-N 3.3Å; Y460-Q462 VanDerWaalsContact C-N 3.3Å; Y460-Q462 PolarHBondContact O-N 3.25Å; Y460-R463 PolarHBondContact O-N 3.45Å; Y460-R463 VanDerWaalsContact O-N 3.07Å; Y460-M464 PolarHBondContact O-N 3.36Å |
| 461 | K | 81.7 | Confident | 83.4 | Confident | 145 Ų | 145 | 49.3 Ų | 49.3 | 63% | 0.63 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -53.1 | -40.5 | -175.4 | -58.9 | -174.5 | -177.8 | -177.4 | 0 | 114.7 | F458 M464 L465 | F458-K461 VanDerWaalsContact O-CG 3.23Å; F458-K461 WeakPolarHBondContact O-CG 3.39Å; K461-M464 PolarHBondContact O-N 2.85Å; K461-L465 VanDerWaalsContact O-CB 3.31Å; K461-L465 WeakPolarHBondContact O-CB 3.48Å; K461-L465 PolarHBondContact O-N 3.31Å |
| 462 | Q | 79.4 | Confident | 84 | Confident | 128 Ų | 128 | 47 Ų | 47 | 60% | 0.598 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.2 | -47.6 | 178.3 | -77.4 | 172.3 | -29.7 | 0 | 0 | 110.9 | Y460 L465 M466 | Y460-Q462 VanDerWaalsContact C-N 3.3Å; Y460-Q462 PolarHBondContact O-N 3.25Å; Q462-L465 WeakPolarHBondContact O-CB 3.16Å; Q462-L465 PolarHBondContact O-N 3.06Å; Q462-M466 VanDerWaalsContact O-CG 3.26Å; Q462-M466 WeakPolarHBondContact O-CG 3.42Å; Q462-M466 PolarHBondContact O-N 3.23Å |
| 463 | R | 78.1 | Confident | 84.7 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 178.1 | -175.9 | -172.3 | 66.3 | -138.4 | -9.2 | 112.1 | Y460 L465 M466 T467 N722 E725 E750 | Y460-R463 PolarHBondContact O-N 3.45Å; Y460-R463 VanDerWaalsContact O-N 3.07Å; R463-L465 VanDerWaalsContact C-N 3.29Å; R463-L465 PolarHBondContact O-N 3.22Å; R463-M466 PolarHBondContact O-N 3.21Å; R463-T467 PolarHBondContact O-N 3.1Å; R463-T467 PolarHBondContact O-OG1 3.19Å; R463-N722 PolarHBondContact NE-OD1 3.13Å; R463-E725 WeakPolarHBondContact CD-OE2 3.32Å; R463-E725 IonicContact NH1-OE2 3.72Å; R463-E750 IonicContact NH2-OE1 3.97Å; R463-E750 PolarHBondContact NH2-OE1 2.83Å |
| 464 | M | 85.4 | Confident | 85.4 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55 | -48.6 | 174.9 | -176.8 | -164.7 | 78.7 | 0 | 0 | 110.1 | L457 F458 Y460 K461 T467 I468 L754 | L457-M464 HydrophobicContact CD1-CG 4.33Å; L457-M464 HydrophobicContact CD2-CG 4.08Å; L457-M464 HydrophobicContact CD2-SD 3.44Å; L457-M464 WeakPolarHBondContact CD2-SD 3.45Å; L457-M464 HydrophobicContact CG-CG 3.91Å; L457-M464 HydrophobicContact CG-SD 3.79Å; F458-M464 HydrophobicContact CD1-SD 4.27Å; F458-M464 HydrophobicContact CE1-CE 4.48Å; F458-M464 HydrophobicContact CE1-SD 4.21Å; Y460-M464 PolarHBondContact O-N 3.36Å; K461-M464 PolarHBondContact O-N 2.85Å; M464-T467 PolarHBondContact O-N 2.96Å; M464-I468 HydrophobicContact CE-CD1 4.33Å; M464-I468 HydrophobicContact CG-CD1 3.76Å; M464-I468 WeakPolarHBondContact O-CB 3.24Å; M464-I468 WeakPolarHBondContact O-CD1 3.5Å; M464-I468 VanDerWaalsContact O-CG1 3.24Å; M464-I468 WeakPolarHBondContact O-CG1 3.45Å; M464-I468 PolarHBondContact O-N 3.44Å; M464-I468 HydrophobicContact SD-CD1 4.48Å; M464-L754 HydrophobicContact CB-CD2 4.28Å; M464-L754 HydrophobicContact CG-CD2 3.6Å |
| 465 | L | 89.9 | Confident | 86 | Confident | 93 Ų | 93 | 43.7 Ų | 43.7 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 177.9 | -170.2 | 81.3 | 0 | 0 | 0 | 112 | K461 Q462 R463 T467 I468 I469 | K461-L465 VanDerWaalsContact O-CB 3.31Å; K461-L465 WeakPolarHBondContact O-CB 3.48Å; K461-L465 PolarHBondContact O-N 3.31Å; Q462-L465 WeakPolarHBondContact O-CB 3.16Å; Q462-L465 PolarHBondContact O-N 3.06Å; R463-L465 VanDerWaalsContact C-N 3.29Å; R463-L465 PolarHBondContact O-N 3.22Å; L465-T467 VanDerWaalsContact C-N 3.29Å; L465-T467 PolarHBondContact O-N 2.85Å; L465-I468 PolarHBondContact O-N 3.06Å; L465-I469 HydrophobicContact CD1-CD1 4.2Å; L465-I469 HydrophobicContact CD2-CD1 4.06Å; L465-I469 HydrophobicContact CG-CD1 3.69Å; L465-I469 HydrophobicContact CG-CG1 4.33Å; L465-I469 WeakPolarHBondContact O-CB 3.28Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.35Å; L465-I469 PolarHBondContact O-N 3.34Å |
| 466 | M | 86.1 | Confident | 86.6 | Confident | 52 Ų | 52 | 38.4 Ų | 38.4 | 26% | 0.256 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.9 | -42.2 | 178 | -68.1 | -56.2 | -178.3 | 0 | 0 | 111.8 | L309 T313 Q462 R463 G470 | L309-M466 HydrophobicContact CD1-CE 4.14Å; L309-M466 HydrophobicContact CD1-SD 3.39Å; L309-M466 WeakPolarHBondContact CD1-SD 3.26Å; L309-M466 HydrophobicContact CD2-SD 4.3Å; L309-M466 HydrophobicContact CG-SD 3.97Å; T313-M466 HydrophobicContact CG2-CB 4.32Å; T313-M466 HydrophobicContact CG2-CE 4.36Å; T313-M466 HydrophobicContact CG2-CG 3.87Å; T313-M466 HydrophobicContact CG2-SD 4.02Å; Q462-M466 VanDerWaalsContact O-CG 3.26Å; Q462-M466 WeakPolarHBondContact O-CG 3.42Å; Q462-M466 PolarHBondContact O-N 3.23Å; R463-M466 PolarHBondContact O-N 3.21Å; M466-G470 PolarHBondContact O-N 3.35Å |
| 467 | T | 88.4 | Confident | 87.4 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.1 | -45.2 | 179.7 | -50 | 0 | 0 | 0 | 0 | 111 | R463 M464 L465 G470 I471 L718 L754 | R463-T467 PolarHBondContact O-N 3.1Å; R463-T467 PolarHBondContact O-OG1 3.19Å; M464-T467 PolarHBondContact O-N 2.96Å; L465-T467 VanDerWaalsContact C-N 3.29Å; L465-T467 PolarHBondContact O-N 2.85Å; T467-G470 PolarHBondContact O-N 3.28Å; T467-I471 HydrophobicContact CG2-CD1 3.8Å; T467-I471 HydrophobicContact CG2-CG1 4.38Å; T467-I471 WeakPolarHBondContact O-CB 3.5Å; T467-I471 VanDerWaalsContact O-CG1 3.23Å; T467-I471 WeakPolarHBondContact O-CG1 3.3Å; T467-I471 PolarHBondContact O-N 3.38Å; T467-L718 HydrophobicContact CG2-CB 4.46Å; T467-L718 HydrophobicContact CG2-CD1 4.37Å; T467-L754 HydrophobicContact CG2-CB 4.03Å; T467-L754 HydrophobicContact CG2-CD1 3.96Å; T467-L754 HydrophobicContact CG2-CG 4.47Å |
| 468 | I | 92.6 | Very high | 88 | Confident | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.072 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -46 | 177.7 | -69.3 | 166.1 | 0 | 0 | 0 | 110.6 | M464 L465 A472 L754 M757 L761 | M464-I468 HydrophobicContact CE-CD1 4.33Å; M464-I468 HydrophobicContact CG-CD1 3.76Å; M464-I468 WeakPolarHBondContact O-CB 3.24Å; M464-I468 WeakPolarHBondContact O-CD1 3.5Å; M464-I468 VanDerWaalsContact O-CG1 3.24Å; M464-I468 WeakPolarHBondContact O-CG1 3.45Å; M464-I468 PolarHBondContact O-N 3.44Å; M464-I468 HydrophobicContact SD-CD1 4.48Å; L465-I468 PolarHBondContact O-N 3.06Å; I468-A472 WeakPolarHBondContact O-CB 3.5Å; I468-A472 PolarHBondContact O-N 2.86Å; I468-L754 HydrophobicContact CD1-CD2 4.26Å; I468-L754 HydrophobicContact CG1-CD2 4.04Å; I468-M757 HydrophobicContact CD1-CB 4.17Å; I468-M757 HydrophobicContact CD1-CE 3.58Å; I468-M757 HydrophobicContact CD1-SD 4.13Å; I468-M757 HydrophobicContact CG1-CB 4.12Å; I468-L761 HydrophobicContact CG2-CD2 3.67Å |
| 469 | I | 92.8 | Very high | 88.6 | Confident | 72 Ų | 72 | 35 Ų | 35 | 37% | 0.369 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.8 | -43.3 | 179.1 | -67.4 | 173.1 | 0 | 0 | 0 | 110.9 | L309 L465 A472 G473 | L309-I469 HydrophobicContact CD2-CB 4.05Å; L309-I469 HydrophobicContact CD2-CG2 3.54Å; L465-I469 HydrophobicContact CD1-CD1 4.2Å; L465-I469 HydrophobicContact CD2-CD1 4.06Å; L465-I469 HydrophobicContact CG-CD1 3.69Å; L465-I469 HydrophobicContact CG-CG1 4.33Å; L465-I469 WeakPolarHBondContact O-CB 3.28Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.35Å; L465-I469 PolarHBondContact O-N 3.34Å; I469-A472 PolarHBondContact O-N 3.28Å; I469-G473 PolarHBondContact O-N 2.79Å |
| 470 | G | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M466 T467 C474 | M466-G470 PolarHBondContact O-N 3.35Å; T467-G470 PolarHBondContact O-N 3.28Å; G470-C474 PolarHBondContact O-N 3.36Å; G470-C474 VanDerWaalsContact O-N 3.11Å; G470-C474 PolarHBondContact O-SG 3.35Å |
| 471 | I | 93.2 | Very high | 90.1 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.7 | -44.4 | 176.8 | -62.7 | 178.2 | 0 | 0 | 0 | 110.9 | T467 G473 C474 M475 L715 T800 | T467-I471 HydrophobicContact CG2-CD1 3.8Å; T467-I471 HydrophobicContact CG2-CG1 4.38Å; T467-I471 WeakPolarHBondContact O-CB 3.5Å; T467-I471 VanDerWaalsContact O-CG1 3.23Å; T467-I471 WeakPolarHBondContact O-CG1 3.3Å; T467-I471 PolarHBondContact O-N 3.38Å; I471-G473 VanDerWaalsContact C-N 3.32Å; I471-G473 PolarHBondContact O-N 3.32Å; I471-C474 PolarHBondContact O-N 2.86Å; I471-M475 VanDerWaalsContact O-CB 3.23Å; I471-M475 WeakPolarHBondContact O-CB 3.43Å; I471-M475 PolarHBondContact O-N 3.18Å; I471-L715 HydrophobicContact CD1-CD2 3.57Å; I471-L715 HydrophobicContact CG1-CD2 3.52Å; I471-T800 HydrophobicContact CG2-CG2 4.11Å |
| 472 | A | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I468 I469 S476 G758 L761 G762 L765 | I468-A472 WeakPolarHBondContact O-CB 3.5Å; I468-A472 PolarHBondContact O-N 2.86Å; I469-A472 PolarHBondContact O-N 3.28Å; A472-S476 VanDerWaalsContact O-CB 3.3Å; A472-S476 WeakPolarHBondContact O-CB 3.38Å; A472-S476 PolarHBondContact O-N 3.33Å; A472-G758 VanDerWaalsContact CA-O 3.27Å; A472-G758 WeakPolarHBondContact CA-O 3.48Å; A472-G758 WeakPolarHBondContact CB-O 3.42Å; A472-L761 HydrophobicContact CB-CB 3.99Å; A472-L761 HydrophobicContact CB-CD2 3.97Å; A472-L761 HydrophobicContact CB-CG 3.95Å; A472-G762 VanDerWaalsContact O-CA 3.28Å; A472-G762 WeakPolarHBondContact O-CA 3.49Å; A472-L765 HydrophobicContact CB-CD1 4.16Å |
| 473 | G | 92.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 9% | 0.093 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.6 | -48.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I469 I471 M475 S476 M477 | I469-G473 PolarHBondContact O-N 2.79Å; I471-G473 VanDerWaalsContact C-N 3.32Å; I471-G473 PolarHBondContact O-N 3.32Å; G473-M475 VanDerWaalsContact C-N 3.32Å; G473-M475 PolarHBondContact O-N 3.22Å; G473-S476 PolarHBondContact O-N 2.86Å; G473-S476 PolarHBondContact O-OG 2.77Å; G473-M477 WeakPolarHBondContact O-CG 3.31Å; G473-M477 PolarHBondContact O-N 3.03Å; G473-M477 VanDerWaalsContact O-N 3.1Å |
| 474 | C | 92.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.02 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 178.2 | -62.7 | 0 | 0 | 0 | 0 | 112 | G470 I471 M477 I478 A711 | G470-C474 PolarHBondContact O-N 3.36Å; G470-C474 VanDerWaalsContact O-N 3.11Å; G470-C474 PolarHBondContact O-SG 3.35Å; I471-C474 PolarHBondContact O-N 2.86Å; C474-M477 PolarHBondContact O-N 2.8Å; C474-I478 WeakPolarHBondContact O-CG1 3.2Å; C474-I478 PolarHBondContact O-N 2.9Å; C474-I478 VanDerWaalsContact O-N 3.15Å; C474-A711 HydrophobicContact CB-CB 3.68Å |
| 475 | M | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 175.3 | -178.8 | 69.2 | -168.3 | 0 | 0 | 111.6 | I471 G473 M477 I478 I479 I759 L763 A796 S797 T800 | I471-M475 VanDerWaalsContact O-CB 3.23Å; I471-M475 WeakPolarHBondContact O-CB 3.43Å; I471-M475 PolarHBondContact O-N 3.18Å; G473-M475 VanDerWaalsContact C-N 3.32Å; G473-M475 PolarHBondContact O-N 3.22Å; M475-M477 VanDerWaalsContact C-N 3.31Å; M475-M477 PolarHBondContact O-N 2.86Å; M475-I478 PolarHBondContact O-N 3.05Å; M475-I479 HydrophobicContact CE-CD1 3.51Å; M475-I479 HydrophobicContact CE-CG1 3.61Å; M475-I479 HydrophobicContact CG-CD1 3.83Å; M475-I479 HydrophobicContact CG-CG1 4.47Å; M475-I479 WeakPolarHBondContact O-CD1 3.46Å; M475-I479 VanDerWaalsContact O-CG1 3.28Å; M475-I479 WeakPolarHBondContact O-CG1 3.23Å; M475-I479 PolarHBondContact O-N 3.14Å; M475-I479 HydrophobicContact SD-CD1 4.38Å; M475-I479 HydrophobicContact SD-CG1 4.49Å; M475-I759 HydrophobicContact CE-CG2 4.21Å; M475-I759 HydrophobicContact SD-CG1 4.36Å; M475-I759 HydrophobicContact SD-CG2 4.5Å; M475-L763 HydrophobicContact CE-CD2 3.52Å; M475-L763 HydrophobicContact CE-CG 4.01Å; M475-A796 VanDerWaalsContact CE-C 3.49Å; M475-A796 HydrophobicContact CE-CB 3.49Å; M475-A796 VanDerWaalsContact CE-CB 3.49Å; M475-A796 HydrophobicContact SD-CB 4.15Å; M475-S797 WeakPolarHBondContact CE-OG 3.48Å; M475-T800 PolarHBondContact SD-OG1 3.04Å |
| 476 | S | 94.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 13.1 Ų | 13.1 | 3% | 0.028 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 178.7 | 77.8 | 0 | 0 | 0 | 0 | 111.4 | A472 G473 I479 T480 E769 | A472-S476 VanDerWaalsContact O-CB 3.3Å; A472-S476 WeakPolarHBondContact O-CB 3.38Å; A472-S476 PolarHBondContact O-N 3.33Å; G473-S476 PolarHBondContact O-N 2.86Å; G473-S476 PolarHBondContact O-OG 2.77Å; S476-I479 PolarHBondContact O-N 3.18Å; S476-T480 VanDerWaalsContact O-CB 3.26Å; S476-T480 WeakPolarHBondContact O-CB 3.47Å; S476-T480 PolarHBondContact O-N 3.47Å; S476-T480 PolarHBondContact O-OG1 3.31Å; S476-E769 WeakPolarHBondContact CB-OE2 3.4Å; S476-E769 PolarHBondContact OG-OE2 3.48Å |
| 477 | M | 92.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | 176.8 | -52.6 | -150.2 | 82.8 | 0 | 0 | 112.6 | F299 I302 F303 I306 G473 C474 M475 T480 G481 A707 L710 | F299-M477 HydrophobicContact CD1-CE 4.31Å; F299-M477 HydrophobicContact CD2-CE 3.97Å; F299-M477 HydrophobicContact CE1-CE 4.18Å; F299-M477 HydrophobicContact CE2-CE 3.79Å; F299-M477 HydrophobicContact CG-CE 4.24Å; F299-M477 HydrophobicContact CZ-CE 3.92Å; F299-M477 WeakPolarHBondContact O-CE 3.38Å; I302-M477 HydrophobicContact CB-CE 3.58Å; I302-M477 HydrophobicContact CB-SD 4.27Å; I302-M477 HydrophobicContact CG2-CE 3.62Å; I302-M477 HydrophobicContact CG2-CG 3.88Å; I302-M477 HydrophobicContact CG2-SD 3.76Å; F303-M477 HydrophobicContact CD2-CE 3.14Å; F303-M477 HydrophobicContact CD2-SD 3.28Å; F303-M477 WeakPolarHBondContact CD2-SD 3.36Å; F303-M477 HydrophobicContact CE2-CE 3.35Å; F303-M477 HydrophobicContact CE2-SD 3.28Å; F303-M477 WeakPolarHBondContact CE2-SD 3.44Å; F303-M477 HydrophobicContact CG-CE 4.21Å; F303-M477 HydrophobicContact CG-SD 3.98Å; F303-M477 HydrophobicContact CZ-SD 4.11Å; I306-M477 HydrophobicContact CD1-CG 4.12Å; I306-M477 HydrophobicContact CD1-SD 3.94Å; G473-M477 WeakPolarHBondContact O-CG 3.31Å; G473-M477 PolarHBondContact O-N 3.03Å; G473-M477 VanDerWaalsContact O-N 3.1Å; C474-M477 PolarHBondContact O-N 2.8Å; M475-M477 VanDerWaalsContact C-N 3.31Å; M475-M477 PolarHBondContact O-N 2.86Å; M477-T480 PolarHBondContact O-N 2.83Å; M477-G481 PolarHBondContact O-N 3.14Å; M477-A707 HydrophobicContact CB-CB 3.84Å; M477-L710 HydrophobicContact SD-CD2 4.21Å |
| 478 | I | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 178.3 | -64.5 | 168 | 0 | 0 | 0 | 110.1 | C474 M475 T480 G481 F482 A707 A711 A796 I799 | C474-I478 WeakPolarHBondContact O-CG1 3.2Å; C474-I478 PolarHBondContact O-N 2.9Å; C474-I478 VanDerWaalsContact O-N 3.15Å; M475-I478 PolarHBondContact O-N 3.05Å; I478-T480 VanDerWaalsContact C-N 3.31Å; I478-T480 PolarHBondContact O-N 2.86Å; I478-G481 PolarHBondContact O-N 3.32Å; I478-F482 HydrophobicContact CG2-CD2 3.98Å; I478-F482 HydrophobicContact CG2-CE2 3.93Å; I478-F482 WeakPolarHBondContact O-CD2 3.45Å; I478-F482 PolarHBondContact O-N 3.43Å; I478-F482 VanDerWaalsContact O-N 3.11Å; I478-A707 HydrophobicContact CG1-CB 3.88Å; I478-A711 HydrophobicContact CD1-CB 4.23Å; I478-A796 HydrophobicContact CB-CB 4.36Å; I478-A796 HydrophobicContact CG2-CB 3.66Å; I478-I799 HydrophobicContact CD1-CG2 4.08Å; I478-I799 HydrophobicContact CG2-CD1 4.43Å |
| 479 | I | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.5 | -63.4 | 156.2 | 0 | 0 | 0 | 110.5 | M475 S476 G481 F482 G483 G762 L763 I788 Y793 A796 | M475-I479 HydrophobicContact CE-CD1 3.51Å; M475-I479 HydrophobicContact CE-CG1 3.61Å; M475-I479 HydrophobicContact CG-CD1 3.83Å; M475-I479 HydrophobicContact CG-CG1 4.47Å; M475-I479 WeakPolarHBondContact O-CD1 3.46Å; M475-I479 VanDerWaalsContact O-CG1 3.28Å; M475-I479 WeakPolarHBondContact O-CG1 3.23Å; M475-I479 PolarHBondContact O-N 3.14Å; M475-I479 HydrophobicContact SD-CD1 4.38Å; M475-I479 HydrophobicContact SD-CG1 4.49Å; S476-I479 PolarHBondContact O-N 3.18Å; I479-G481 VanDerWaalsContact C-N 3.28Å; I479-G481 PolarHBondContact O-N 2.99Å; I479-F482 PolarHBondContact O-N 3.17Å; I479-G483 PolarHBondContact O-N 3.28Å; I479-G762 WeakPolarHBondContact CD1-O 3.49Å; I479-L763 VanDerWaalsContact CD1-CA 3.49Å; I479-L763 HydrophobicContact CD1-CB 4.38Å; I479-L763 HydrophobicContact CD1-CD2 3.69Å; I479-L763 HydrophobicContact CD1-CG 4.23Å; I479-L763 HydrophobicContact CG1-CD2 4.34Å; I479-I788 HydrophobicContact CG2-CD1 4.02Å; I479-Y793 HydrophobicContact CG2-CD1 4.15Å; I479-Y793 HydrophobicContact CG2-CE1 4.04Å; I479-A796 HydrophobicContact CB-CB 4.47Å; I479-A796 HydrophobicContact CG1-CB 3.52Å |
| 480 | T | 92.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 177.8 | -65.2 | 0 | 0 | 0 | 0 | 111 | S476 M477 I478 G483 L484 E769 I773 | S476-T480 VanDerWaalsContact O-CB 3.26Å; S476-T480 WeakPolarHBondContact O-CB 3.47Å; S476-T480 PolarHBondContact O-N 3.47Å; S476-T480 PolarHBondContact O-OG1 3.31Å; M477-T480 PolarHBondContact O-N 2.83Å; I478-T480 VanDerWaalsContact C-N 3.31Å; I478-T480 PolarHBondContact O-N 2.86Å; T480-G483 PolarHBondContact O-N 2.99Å; T480-L484 HydrophobicContact CG2-CD1 4.01Å; T480-L484 HydrophobicContact CG2-CG 4.43Å; T480-L484 WeakPolarHBondContact O-CB 3.49Å; T480-L484 VanDerWaalsContact O-CG 3.26Å; T480-L484 WeakPolarHBondContact O-CG 3.14Å; T480-L484 PolarHBondContact O-N 3.24Å; T480-E769 HydrophobicContact CG2-CG 4.12Å; T480-E769 WeakPolarHBondContact OG1-CG 3.43Å; T480-I773 HydrophobicContact CG2-CD1 3.43Å; T480-I773 VanDerWaalsContact CG2-CD1 3.43Å |
| 481 | G | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | M477 I478 I479 R485 | M477-G481 PolarHBondContact O-N 3.14Å; I478-G481 PolarHBondContact O-N 3.32Å; I479-G481 VanDerWaalsContact C-N 3.28Å; I479-G481 PolarHBondContact O-N 2.99Å; G481-R485 PolarHBondContact O-N 3.48Å |
| 482 | F | 93.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 9.5 Ų | 9.5 | 4% | 0.039 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -70.2 | -38.4 | 174.8 | -79 | -76.9 | 0 | 0 | 0 | 112.9 | I478 I479 R485 D486 W701 I704 I799 | I478-F482 HydrophobicContact CG2-CD2 3.98Å; I478-F482 HydrophobicContact CG2-CE2 3.93Å; I478-F482 WeakPolarHBondContact O-CD2 3.45Å; I478-F482 PolarHBondContact O-N 3.43Å; I478-F482 VanDerWaalsContact O-N 3.11Å; I479-F482 PolarHBondContact O-N 3.17Å; F482-R485 WeakPolarHBondContact O-CB 3.35Å; F482-R485 PolarHBondContact O-N 2.81Å; F482-D486 VanDerWaalsContact O-CG 3.26Å; F482-D486 PolarHBondContact O-N 2.84Å; F482-W701 HydrophobicContact CE1-CH2 4.29Å; F482-W701 HydrophobicContact CZ-CH2 4.43Å; F482-W701 HydrophobicContact CZ-CZ3 4.31Å; F482-I704 HydrophobicContact CD1-CD1 4.05Å; F482-I704 HydrophobicContact CD2-CD1 4.02Å; F482-I704 HydrophobicContact CD2-CG1 4.37Å; F482-I704 HydrophobicContact CE1-CD1 4.1Å; F482-I704 HydrophobicContact CE2-CD1 4.05Å; F482-I704 HydrophobicContact CE2-CG1 4.42Å; F482-I704 HydrophobicContact CE2-CG2 3.91Å; F482-I704 HydrophobicContact CG-CD1 4Å; F482-I704 HydrophobicContact CZ-CD1 4.09Å; F482-I704 HydrophobicContact CZ-CG2 4.25Å; F482-I799 HydrophobicContact CE2-CD1 3.69Å; F482-I799 HydrophobicContact CZ-CD1 3.92Å |
| 483 | G | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I479 T480 R485 D486 S487 H770 | I479-G483 PolarHBondContact O-N 3.28Å; T480-G483 PolarHBondContact O-N 2.99Å; G483-R485 VanDerWaalsContact C-N 3.33Å; G483-D486 PolarHBondContact O-N 2.96Å; G483-S487 VanDerWaalsContact O-CB 3.31Å; G483-S487 WeakPolarHBondContact O-CB 3.48Å; G483-S487 PolarHBondContact O-N 3.4Å; G483-S487 PolarHBondContact O-OG 3.45Å; G483-H770 PolarHBondContact O-NE2 3.3Å |
| 484 | L | 90.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 172.6 | -72.9 | 168.6 | 0 | 0 | 0 | 111.6 | L295 T480 D486 S487 I488 M700 I773 L774 | L295-L484 HydrophobicContact CD2-CD1 3.76Å; L295-L484 HydrophobicContact CD2-CD2 4.44Å; T480-L484 HydrophobicContact CG2-CD1 4.01Å; T480-L484 HydrophobicContact CG2-CG 4.43Å; T480-L484 WeakPolarHBondContact O-CB 3.49Å; T480-L484 VanDerWaalsContact O-CG 3.26Å; T480-L484 WeakPolarHBondContact O-CG 3.14Å; T480-L484 PolarHBondContact O-N 3.24Å; L484-D486 VanDerWaalsContact C-N 3.35Å; L484-S487 PolarHBondContact O-N 2.87Å; L484-I488 WeakPolarHBondContact O-CB 3.38Å; L484-I488 WeakPolarHBondContact O-CD1 3.45Å; L484-I488 WeakPolarHBondContact O-CG1 3.09Å; L484-I488 PolarHBondContact O-N 2.86Å; L484-M700 HydrophobicContact CB-SD 3.52Å; L484-M700 VanDerWaalsContact CB-SD 3.52Å; L484-M700 HydrophobicContact CD1-SD 4.16Å; L484-I773 HydrophobicContact CD1-CG2 4.01Å; L484-I773 HydrophobicContact CD2-CG2 4.04Å; L484-L774 HydrophobicContact CD2-CD1 4.17Å |
| 485 | R | 90.8 | Very high | 91.5 | Very high | 83 Ų | 83 | 12.6 Ų | 12.6 | 31% | 0.313 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 173.4 | 173.4 | -178.2 | 172.6 | -168.1 | -5.9 | 111.7 | G481 F482 G483 G489 M700 | G481-R485 PolarHBondContact O-N 3.48Å; F482-R485 WeakPolarHBondContact O-CB 3.35Å; F482-R485 PolarHBondContact O-N 2.81Å; G483-R485 VanDerWaalsContact C-N 3.33Å; R485-G489 WeakPolarHBondContact O-CA 3.23Å; R485-G489 PolarHBondContact O-N 2.95Å; R485-M700 HydrophobicContact CB-CB 4.09Å; R485-M700 HydrophobicContact CB-CG 4.07Å |
| 486 | D | 91.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 13.1 Ų | 13.1 | 6% | 0.064 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.2 | -51.3 | 177.9 | -64.2 | -14.3 | 0 | 0 | 0 | 110.8 | F482 G483 L484 I488 G489 D490 Q789 S792 | F482-D486 VanDerWaalsContact O-CG 3.26Å; F482-D486 PolarHBondContact O-N 2.84Å; G483-D486 PolarHBondContact O-N 2.96Å; L484-D486 VanDerWaalsContact C-N 3.35Å; D486-I488 VanDerWaalsContact C-N 3.28Å; D486-I488 PolarHBondContact O-N 2.86Å; D486-G489 PolarHBondContact O-N 2.99Å; D486-G489 VanDerWaalsContact O-N 3.13Å; D486-D490 WeakPolarHBondContact O-CB 3.3Å; D486-D490 PolarHBondContact O-N 3.39Å; D486-Q789 HydrophobicContact CB-CG 4.02Å; D486-Q789 VanDerWaalsContact OD2-CB 3.31Å; D486-Q789 WeakPolarHBondContact OD2-CB 3.3Å; D486-Q789 PolarHBondContact OD2-N 3.04Å; D486-S792 VanDerWaalsContact CG-OG 3.27Å; D486-S792 PolarHBondContact OD1-OG 2.73Å; D486-S792 VanDerWaalsContact OD2-CB 3.22Å; D486-S792 WeakPolarHBondContact OD2-CB 3.16Å; D486-S792 PolarHBondContact OD2-OG 2.82Å |
| 487 | S | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.8 | -38.8 | -179.8 | -68.2 | 0 | 0 | 0 | 0 | 114.1 | G483 L484 H770 S785 | G483-S487 VanDerWaalsContact O-CB 3.31Å; G483-S487 WeakPolarHBondContact O-CB 3.48Å; G483-S487 PolarHBondContact O-N 3.4Å; G483-S487 PolarHBondContact O-OG 3.45Å; L484-S487 PolarHBondContact O-N 2.87Å; S487-H770 PolarHBondContact OG-CE1 2.65Å; S487-H770 PolarHBondContact OG-NE2 3.09Å; S487-S785 WeakPolarHBondContact CA-O 3.23Å; S487-S785 WeakPolarHBondContact CB-O 3.3Å; S487-S785 PolarHBondContact O-N 3.32Å; S487-S785 PolarHBondContact OG-O 3.18Å |
| 488 | I | 87.2 | Confident | 90.8 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -81.3 | -40.8 | 178.1 | -63.9 | 169.6 | 0 | 0 | 0 | 110.4 | L484 D486 V693 L696 M700 F784 | L484-I488 WeakPolarHBondContact O-CB 3.38Å; L484-I488 WeakPolarHBondContact O-CD1 3.45Å; L484-I488 WeakPolarHBondContact O-CG1 3.09Å; L484-I488 PolarHBondContact O-N 2.86Å; D486-I488 VanDerWaalsContact C-N 3.28Å; D486-I488 PolarHBondContact O-N 2.86Å; I488-V693 HydrophobicContact CG2-CB 4.46Å; I488-V693 HydrophobicContact CG2-CG1 4.34Å; I488-V693 HydrophobicContact CG2-CG2 3.95Å; I488-V693 WeakPolarHBondContact O-CG2 3.44Å; I488-L696 HydrophobicContact CD1-CD1 4.46Å; I488-L696 HydrophobicContact CG2-CB 4.21Å; I488-L696 HydrophobicContact CG2-CD1 3.74Å; I488-M700 HydrophobicContact CD1-CE 4.09Å; I488-F784 HydrophobicContact CB-CD1 4.29Å; I488-F784 HydrophobicContact CB-CE1 4.18Å; I488-F784 HydrophobicContact CG1-CD1 3.75Å; I488-F784 HydrophobicContact CG1-CE1 3.63Å; I488-F784 HydrophobicContact CG1-CZ 4.24Å; I488-F784 HydrophobicContact CG2-CE1 4.22Å |
| 489 | G | 87.5 | Confident | 90.7 | Very high | 22 Ų | 22 | 22.9 Ų | 22.9 | 23% | 0.227 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R485 D486 I491 | R485-G489 WeakPolarHBondContact O-CA 3.23Å; R485-G489 PolarHBondContact O-N 2.95Å; D486-G489 PolarHBondContact O-N 2.99Å; D486-G489 VanDerWaalsContact O-N 3.13Å; G489-I491 VanDerWaalsContact C-N 3.29Å; G489-I491 PolarHBondContact O-N 3.19Å |
| 490 | D | 89.5 | Confident | 90.6 | Very high | 34 Ų | 34 | 24.3 Ų | 24.3 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.8 | -23.5 | -172.2 | -71.7 | -10.6 | 0 | 0 | 0 | 112.7 | D486 V492 T493 L494 Q789 | D486-D490 WeakPolarHBondContact O-CB 3.3Å; D486-D490 PolarHBondContact O-N 3.39Å; D490-V492 VanDerWaalsContact C-N 3.26Å; D490-V492 PolarHBondContact O-N 3.32Å; D490-T493 PolarHBondContact O-N 3.29Å; D490-T493 VanDerWaalsContact O-N 3.09Å; D490-T493 PolarHBondContact O-OG1 3.11Å; D490-L494 HydrophobicContact CB-CD1 3.94Å; D490-L494 HydrophobicContact CB-CG 4.32Å; D490-L494 VanDerWaalsContact O-CG 3.3Å; D490-L494 WeakPolarHBondContact O-CG 3.47Å; D490-L494 PolarHBondContact O-N 2.83Å; D490-Q789 PolarHBondContact OD1-NE2 3.01Å |
| 491 | I | 89.7 | Confident | 90.6 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.036 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -51.5 | -44.4 | -178.6 | -70.9 | -175.2 | 0 | 0 | 0 | 112.2 | G489 T493 L494 Q495 Y625 V626 L689 M783 F784 | G489-I491 VanDerWaalsContact C-N 3.29Å; G489-I491 PolarHBondContact O-N 3.19Å; I491-T493 VanDerWaalsContact C-N 3.3Å; I491-T493 PolarHBondContact O-N 3.33Å; I491-L494 PolarHBondContact O-N 2.82Å; I491-Q495 WeakPolarHBondContact O-CB 3.13Å; I491-Q495 PolarHBondContact O-N 2.84Å; I491-Y625 HydrophobicContact CG1-CD1 4.14Å; I491-Y625 HydrophobicContact CG1-CG 4.4Å; I491-V626 HydrophobicContact CG2-CG2 4.03Å; I491-L689 HydrophobicContact CB-CD2 4.39Å; I491-L689 HydrophobicContact CG2-CD1 4.15Å; I491-L689 HydrophobicContact CG2-CD2 3.8Å; I491-M783 WeakPolarHBondContact CD1-O 3.33Å; I491-F784 HydrophobicContact CD1-CD1 3.13Å; I491-F784 HydrophobicContact CD1-CE1 3.37Å; I491-F784 HydrophobicContact CD1-CG 4.07Å; I491-F784 HydrophobicContact CG1-CD1 4.07Å |
| 492 | V | 89.5 | Confident | 90.7 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.9 | -49.8 | -177 | -178 | 0 | 0 | 0 | 0 | 109.7 | D490 F496 R686 L689 K690 V693 | D490-V492 VanDerWaalsContact C-N 3.26Å; D490-V492 PolarHBondContact O-N 3.32Å; V492-F496 HydrophobicContact CG1-CD2 4.33Å; V492-F496 WeakPolarHBondContact O-CB 3.27Å; V492-F496 WeakPolarHBondContact O-CD2 3.32Å; V492-F496 PolarHBondContact O-N 2.53Å; V492-R686 HydrophobicContact CG1-CG 3.5Å; V492-L689 HydrophobicContact CB-CD2 4.27Å; V492-L689 HydrophobicContact CG2-CD2 3.33Å; V492-K690 HydrophobicContact CG1-CB 4.28Å; V492-K690 HydrophobicContact CG2-CB 4.14Å; V492-V693 HydrophobicContact CG2-CB 4.49Å; V492-V693 HydrophobicContact CG2-CG2 4.06Å |
| 493 | T | 89.3 | Confident | 90.8 | Very high | 60 Ų | 60 | 28.9 Ų | 28.9 | 37% | 0.368 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -73.6 | -38.8 | -176.7 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | D490 I491 D497 K498 | D490-T493 PolarHBondContact O-N 3.29Å; D490-T493 VanDerWaalsContact O-N 3.09Å; D490-T493 PolarHBondContact O-OG1 3.11Å; I491-T493 VanDerWaalsContact C-N 3.3Å; I491-T493 PolarHBondContact O-N 3.33Å; T493-D497 WeakPolarHBondContact CA-OD2 3.31Å; T493-D497 WeakPolarHBondContact O-CA 3.35Å; T493-D497 VanDerWaalsContact O-CB 3.24Å; T493-D497 WeakPolarHBondContact O-CB 2.94Å; T493-D497 PolarHBondContact O-N 2.99Å; T493-K498 PolarHBondContact O-N 3.29Å |
| 494 | L | 91.5 | Very high | 90.8 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -67.5 | -44.2 | 179 | -64.5 | 175.1 | 0 | 0 | 0 | 110.6 | D490 I491 K498 L499 Y625 | D490-L494 HydrophobicContact CB-CD1 3.94Å; D490-L494 HydrophobicContact CB-CG 4.32Å; D490-L494 VanDerWaalsContact O-CG 3.3Å; D490-L494 WeakPolarHBondContact O-CG 3.47Å; D490-L494 PolarHBondContact O-N 2.83Å; I491-L494 PolarHBondContact O-N 2.82Å; L494-K498 HydrophobicContact CD2-CD 3.74Å; L494-K498 WeakPolarHBondContact O-CB 3.29Å; L494-L499 VanDerWaalsContact O-CG 3.28Å; L494-L499 WeakPolarHBondContact O-CG 3.41Å; L494-L499 PolarHBondContact O-N 3.04Å; L494-L499 VanDerWaalsContact O-N 3.09Å; L494-Y625 HydrophobicContact CB-CD2 3.9Å; L494-Y625 HydrophobicContact CB-CE2 3.53Å; L494-Y625 HydrophobicContact CD1-CE1 4.19Å; L494-Y625 HydrophobicContact CD1-CE2 3.81Å; L494-Y625 WeakPolarHBondContact CD1-OH 3.27Å; L494-Y625 HydrophobicContact CG-CE2 4.27Å |
| 495 | Q | 91.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -69.9 | -52.7 | -178.9 | -172.4 | 66.7 | 39.3 | 0 | 0 | 112.1 | I491 W500 N624 V626 | I491-Q495 WeakPolarHBondContact O-CB 3.13Å; I491-Q495 PolarHBondContact O-N 2.84Å; Q495-W500 WeakPolarHBondContact O-CB 3.48Å; Q495-W500 PolarHBondContact O-N 2.65Å; Q495-N624 PolarHBondContact NE2-OD1 3.39Å; Q495-N624 PolarHBondContact OE1-OD1 3.07Å; Q495-V626 HydrophobicContact CG-CB 4.46Å; Q495-V626 HydrophobicContact CG-CG2 4.12Å |
| 496 | F | 90.8 | Very high | 90.9 | Very high | 12 Ų | 12 | 25.8 Ų | 25.8 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -100.7 | -7.7 | -166.9 | -60 | -68.4 | 0 | 0 | 0 | 115.4 | V492 W500 M682 R686 L689 | V492-F496 HydrophobicContact CG1-CD2 4.33Å; V492-F496 WeakPolarHBondContact O-CB 3.27Å; V492-F496 WeakPolarHBondContact O-CD2 3.32Å; V492-F496 PolarHBondContact O-N 2.53Å; F496-W500 CarbonylContact C-O 3.5Å; F496-W500 HydrophobicContact CD1-CE3 4.08Å; F496-W500 AromaticContact CE1-CE3 3.95Å; F496-W500 HydrophobicContact CE1-CE3 3.95Å; F496-W500 HydrophobicContact CE1-CZ3 4.12Å; F496-W500 VanDerWaalsContact O-O 3.09Å; F496-M682 HydrophobicContact CD1-CG 3.32Å; F496-M682 HydrophobicContact CD1-SD 3.86Å; F496-M682 HydrophobicContact CE1-CG 3.6Å; F496-M682 HydrophobicContact CE1-SD 3.48Å; F496-M682 WeakPolarHBondContact CE1-SD 3.23Å; F496-M682 HydrophobicContact CG-CG 4.45Å; F496-R686 HydrophobicContact CB-CB 4.29Å; F496-R686 HydrophobicContact CB-CG 4.08Å; F496-R686 VanDerWaalsContact CB-NE 3.31Å; F496-R686 HydrophobicContact CD1-CB 4.42Å; F496-R686 HydrophobicContact CD2-CB 3.7Å; F496-R686 HydrophobicContact CD2-CG 3.72Å; F496-R686 HydrophobicContact CE2-CB 4.04Å; F496-R686 HydrophobicContact CE2-CG 4.4Å; F496-R686 HydrophobicContact CG-CB 3.89Å; F496-R686 HydrophobicContact CG-CG 4.05Å; F496-R686 PolarHBondContact O-NH2 3.44Å; F496-L689 HydrophobicContact CE2-CB 4.18Å; F496-L689 HydrophobicContact CE2-CD1 4.11Å |
| 497 | D | 87.1 | Confident | 90.8 | Very high | 79 Ų | 79 | 27.3 Ų | 27.3 | 42% | 0.422 | 14% | 0.143 | S | C | . | . | I | π-helix | trans | -117.1 | -28.8 | 177.3 | -48 | -24.8 | 0 | 0 | 0 | 112.2 | T493 R686 | T493-D497 WeakPolarHBondContact CA-OD2 3.31Å; T493-D497 WeakPolarHBondContact O-CA 3.35Å; T493-D497 VanDerWaalsContact O-CB 3.24Å; T493-D497 WeakPolarHBondContact O-CB 2.94Å; T493-D497 PolarHBondContact O-N 2.99Å; D497-R686 IonicContact OD1-CZ 3.34Å; D497-R686 IonicContact OD1-NE 3.64Å; D497-R686 PolarHBondContact OD1-NE 3.14Å; D497-R686 IonicContact OD1-NH1 2.73Å; D497-R686 IonicContact OD1-NH2 2.71Å; D497-R686 PolarHBondContact OD1-NH2 3.35Å |
| 498 | K | 89.3 | Confident | 90.7 | Very high | 126 Ų | 126 | 27.9 Ų | 27.9 | 55% | 0.548 | 15% | 0.145 | S | C | . | . | I | π-helix | trans | -104.6 | -36.6 | -178.2 | -62.4 | -165.5 | -170.8 | 172.2 | 0 | 114.9 | T493 L494 H501 | T493-K498 PolarHBondContact O-N 3.29Å; L494-K498 HydrophobicContact CD2-CD 3.74Å; L494-K498 WeakPolarHBondContact O-CB 3.29Å; K498-H501 PolarHBondContact O-CE1 3.48Å; K498-H501 PolarHBondContact O-NE2 3.03Å |
| 499 | L | 91.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -98.3 | -48.1 | -174.8 | -65.6 | 173.4 | 0 | 0 | 0 | 112.1 | L494 L568 S569 E623 Y625 | L494-L499 VanDerWaalsContact O-CG 3.28Å; L494-L499 WeakPolarHBondContact O-CG 3.41Å; L494-L499 PolarHBondContact O-N 3.04Å; L494-L499 VanDerWaalsContact O-N 3.09Å; L499-L568 WeakPolarHBondContact O-CA 3.18Å; L499-S569 WeakPolarHBondContact CD2-O 3.46Å; L499-S569 PolarHBondContact O-N 2.85Å; L499-E623 HydrophobicContact CD1-CG 4.19Å; L499-E623 WeakPolarHBondContact CD1-O 3.3Å; L499-E623 HydrophobicContact CD2-CB 4.3Å; L499-E623 HydrophobicContact CD2-CG 4.47Å; L499-Y625 HydrophobicContact CD1-CD2 3.86Å; L499-Y625 HydrophobicContact CD1-CE2 4Å |
| 500 | W | 91.7 | Very high | 90.2 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -100.8 | 111.7 | 176.9 | -69.1 | 5.5 | 0 | 0 | 0 | 109.8 | Q495 F496 Y502 L568 F629 M682 | Q495-W500 WeakPolarHBondContact O-CB 3.48Å; Q495-W500 PolarHBondContact O-N 2.65Å; F496-W500 CarbonylContact C-O 3.5Å; F496-W500 HydrophobicContact CD1-CE3 4.08Å; F496-W500 AromaticContact CE1-CE3 3.95Å; F496-W500 HydrophobicContact CE1-CE3 3.95Å; F496-W500 HydrophobicContact CE1-CZ3 4.12Å; F496-W500 VanDerWaalsContact O-O 3.09Å; W500-Y502 HydrophobicContact CB-CD1 4.16Å; W500-Y502 HydrophobicContact CB-CE1 3.76Å; W500-Y502 AromaticContact CD2-CE1 3.78Å; W500-Y502 HydrophobicContact CD2-CE1 3.78Å; W500-Y502 AromaticContact CD2-CZ 3.94Å; W500-Y502 HydrophobicContact CE3-CE1 4.16Å; W500-Y502 AromaticContact CE3-CZ 3.9Å; W500-Y502 VanDerWaalsContact CE3-OH 3.27Å; W500-Y502 HydrophobicContact CG-CD1 4.47Å; W500-Y502 AromaticContact CG-CE1 3.64Å; W500-Y502 HydrophobicContact CG-CE1 3.64Å; W500-Y502 WeakPolarHBondContact CZ3-OH 3.41Å; W500-L568 HydrophobicContact CG-CD2 3.9Å; W500-F629 HydrophobicContact CH2-CE1 4.46Å; W500-F629 HydrophobicContact CH2-CE2 4.16Å; W500-F629 AromaticContact CH2-CZ 3.69Å; W500-F629 HydrophobicContact CH2-CZ 3.69Å; W500-F629 HydrophobicContact CZ2-CD2 4.41Å; W500-F629 HydrophobicContact CZ2-CE1 4.16Å; W500-F629 AromaticContact CZ2-CE2 3.53Å; W500-F629 HydrophobicContact CZ2-CE2 3.53Å; W500-F629 AromaticContact CZ2-CZ 3.43Å; W500-F629 HydrophobicContact CZ2-CZ 3.43Å; W500-F629 VanDerWaalsContact CZ2-CZ 3.43Å; W500-M682 HydrophobicContact CE3-CE 3.57Å; W500-M682 HydrophobicContact CE3-CG 4.16Å; W500-M682 HydrophobicContact CE3-SD 3.52Å; W500-M682 VanDerWaalsContact CE3-SD 3.52Å; W500-M682 HydrophobicContact CZ3-CE 3.63Å; W500-M682 HydrophobicContact CZ3-SD 3.5Å; W500-M682 VanDerWaalsContact CZ3-SD 3.5Å |
| 501 | H | 93.4 | Very high | 89.9 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 25% | 0.25 | 20% | 0.202 | C | C | . | . | trans | -94.9 | -23.3 | 179.6 | -57.6 | -50.7 | 0 | 0 | 0 | 112.3 | K498 Q503 D566 F567 S569 L653 | K498-H501 PolarHBondContact O-CE1 3.48Å; K498-H501 PolarHBondContact O-NE2 3.03Å; H501-Q503 PolarHBondContact O-NE2 3.02Å; H501-D566 WeakPolarHBondContact CB-O 3.34Å; H501-F567 WeakPolarHBondContact CB-O 3.49Å; H501-F567 PolarHBondContact N-O 2.96Å; H501-S569 PolarHBondContact NE2-OG 2.85Å; H501-L653 HydrophobicContact CB-CD1 4.4Å; H501-L653 VanDerWaalsContact O-CD1 3.25Å; H501-L653 WeakPolarHBondContact O-CD1 3.43Å | ||
| 502 | Y | 93.7 | Very high | 89.7 | Confident | 21 Ų | 21 | 40.2 Ų | 40.2 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | trans | -69.3 | 139 | 176.8 | 70.5 | -80 | 0 | 0 | 0 | 111.3 | W500 T505 F567 L568 L651 M682 | W500-Y502 HydrophobicContact CB-CD1 4.16Å; W500-Y502 HydrophobicContact CB-CE1 3.76Å; W500-Y502 AromaticContact CD2-CE1 3.78Å; W500-Y502 HydrophobicContact CD2-CE1 3.78Å; W500-Y502 AromaticContact CD2-CZ 3.94Å; W500-Y502 HydrophobicContact CE3-CE1 4.16Å; W500-Y502 AromaticContact CE3-CZ 3.9Å; W500-Y502 VanDerWaalsContact CE3-OH 3.27Å; W500-Y502 HydrophobicContact CG-CD1 4.47Å; W500-Y502 AromaticContact CG-CE1 3.64Å; W500-Y502 HydrophobicContact CG-CE1 3.64Å; W500-Y502 WeakPolarHBondContact CZ3-OH 3.41Å; Y502-T505 HydrophobicContact CD2-CG2 3.84Å; Y502-T505 HydrophobicContact CE2-CG2 3.47Å; Y502-T505 VanDerWaalsContact CE2-CG2 3.47Å; Y502-F567 WeakPolarHBondContact CD1-O 3.08Å; Y502-F567 PolarHBondContact N-O 2.9Å; Y502-L568 HydrophobicContact CD1-CD2 4.18Å; Y502-L568 HydrophobicContact CD1-CG 4.33Å; Y502-L568 HydrophobicContact CE1-CD2 3.74Å; Y502-L568 HydrophobicContact CE1-CG 4.25Å; Y502-L651 HydrophobicContact CD2-CB 4.44Å; Y502-L651 HydrophobicContact CD2-CD2 4.03Å; Y502-L651 HydrophobicContact CE2-CD2 3.97Å; Y502-L651 HydrophobicContact CG-CB 4.46Å; Y502-M682 HydrophobicContact CD2-CE 3.95Å; Y502-M682 HydrophobicContact CE1-CE 4.37Å; Y502-M682 HydrophobicContact CE2-CE 3.07Å; Y502-M682 VanDerWaalsContact OH-CE 3.23Å; Y502-M682 WeakPolarHBondContact OH-CE 3.34Å | ||
| 503 | Q | 94.7 | Very high | 89.7 | Confident | 31 Ų | 31 | 42.2 Ų | 42.2 | 15% | 0.145 | 22% | 0.221 | C | C | . | . | trans | -102.8 | -19.2 | -177.2 | -61.2 | 82.5 | 15.9 | 0 | 0 | 113.1 | H501 L652 F654 E657 F681 M682 | H501-Q503 PolarHBondContact O-NE2 3.02Å; Q503-L652 PolarHBondContact N-O 2.67Å; Q503-F654 HydrophobicContact CB-CD2 4.12Å; Q503-E657 HydrophobicContact CG-CG 4.18Å; Q503-F681 CarbonylContact O-C 3.56Å; Q503-F681 WeakPolarHBondContact O-CA 3.41Å; Q503-F681 WeakPolarHBondContact O-CD1 3.41Å; Q503-M682 PolarHBondContact O-N 3.2Å | ||
| 504 | G | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L652 S680 | G504-L652 PolarHBondContact N-O 3.41Å; G504-L652 PolarHBondContact O-N 3.05Å; G504-S680 CarbonylContact C-O 3.54Å; G504-S680 WeakPolarHBondContact CA-O 3.15Å |
| 505 | T | 92.7 | Very high | 89.3 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.1 | 169.5 | 61.2 | 0 | 0 | 0 | 0 | 110 | Y502 D650 L651 V679 S680 | Y502-T505 HydrophobicContact CD2-CG2 3.84Å; Y502-T505 HydrophobicContact CE2-CG2 3.47Å; Y502-T505 VanDerWaalsContact CE2-CG2 3.47Å; T505-D650 CarbonylContact C-O 3.57Å; T505-D650 VanDerWaalsContact CA-O 3.27Å; T505-D650 WeakPolarHBondContact CA-O 3.21Å; T505-L651 HydrophobicContact CG2-CD2 3.65Å; T505-V679 CarbonylContact O-C 3.51Å; T505-V679 WeakPolarHBondContact O-CA 3.32Å; T505-S680 PolarHBondContact N-O 2.82Å; T505-S680 PolarHBondContact O-N 3.4Å; T505-S680 PolarHBondContact OG1-O 3.24Å; T505-S680 PolarHBondContact OG1-OG 3.11Å |
| 506 | T | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.2 | 169.5 | 66.2 | 0 | 0 | 0 | 0 | 108.5 | Y520 T649 D650 L652 L670 N678 V679 | T506-Y520 HydrophobicContact CG2-CE2 4.4Å; T506-Y520 VanDerWaalsContact CG2-OH 3.3Å; T506-Y520 WeakPolarHBondContact CG2-OH 2.92Å; T506-Y520 PolarHBondContact OG1-OH 3.09Å; T506-T649 CarbonylContact O-C 3.54Å; T506-T649 WeakPolarHBondContact O-CA 3.48Å; T506-T649 WeakPolarHBondContact O-CG2 3.42Å; T506-D650 PolarHBondContact N-O 3.17Å; T506-D650 PolarHBondContact O-N 3.05Å; T506-D650 WeakPolarHBondContact OG1-CB 3.29Å; T506-L652 HydrophobicContact CG2-CD1 3.82Å; T506-L652 HydrophobicContact CG2-CG 4.3Å; T506-L670 HydrophobicContact CG2-CD1 3.87Å; T506-N678 WeakPolarHBondContact CA-O 3.46Å; T506-V679 HydrophobicContact CG2-CG1 4.31Å; T506-V679 HydrophobicContact CG2-CG2 4Å |
| 507 | V | 90 | Very high | 89.1 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.8 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | T649 A677 N678 | V507-T649 HydrophobicContact CG2-CG2 4.38Å; V507-A677 HydrophobicContact CG1-CB 4.44Å; V507-A677 WeakPolarHBondContact O-CA 3.47Å; V507-A677 WeakPolarHBondContact O-CB 3.38Å; V507-A677 PolarHBondContact O-N 3.42Å; V507-N678 PolarHBondContact N-O 2.95Å; V507-N678 PolarHBondContact O-N 3.33Å |
| 508 | F | 89.5 | Confident | 89.3 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 148.6 | -179.9 | -62.3 | -92.2 | 0 | 0 | 0 | 111.4 | Q510 P512 Y520 F535 N648 D650 E675 I676 | F508-Q510 VanDerWaalsContact C-N 3.29Å; F508-Q510 WeakPolarHBondContact CB-O 3.44Å; F508-P512 HydrophobicContact CD1-CB 4.48Å; F508-P512 HydrophobicContact CD1-CG 4.32Å; F508-P512 HydrophobicContact CE1-CG 4.32Å; F508-P512 HydrophobicContact CG-CG 4.47Å; F508-P512 HydrophobicContact CZ-CG 4.48Å; F508-Y520 HydrophobicContact CE1-CD1 4.47Å; F508-Y520 HydrophobicContact CE1-CD2 4.3Å; F508-Y520 HydrophobicContact CE1-CE2 4.47Å; F508-Y520 HydrophobicContact CE1-CG 4.28Å; F508-Y520 AromaticContact CZ-CD1 3.89Å; F508-Y520 HydrophobicContact CZ-CD1 3.89Å; F508-Y520 HydrophobicContact CZ-CD2 4.22Å; F508-Y520 AromaticContact CZ-CE1 3.73Å; F508-Y520 HydrophobicContact CZ-CE1 3.73Å; F508-Y520 HydrophobicContact CZ-CE2 4.07Å; F508-Y520 HydrophobicContact CZ-CG 4.12Å; F508-Y520 AromaticContact CZ-CZ 3.81Å; F508-F535 HydrophobicContact CE2-CD1 4.4Å; F508-F535 AromaticContact CE2-CE1 3.68Å; F508-F535 HydrophobicContact CE2-CE1 3.68Å; F508-F535 AromaticContact CZ-CE1 3.87Å; F508-F535 HydrophobicContact CZ-CE1 3.87Å; F508-F535 HydrophobicContact CZ-CZ 4.43Å; F508-N648 WeakPolarHBondContact CD2-O 3.35Å; F508-N648 PolarHBondContact N-O 2.94Å; F508-D650 HydrophobicContact CE2-CB 4.01Å; F508-E675 WeakPolarHBondContact CA-O 3.29Å; F508-I676 HydrophobicContact CD1-CG1 4.15Å; F508-I676 HydrophobicContact CE1-CD1 4.48Å; F508-I676 HydrophobicContact CE1-CG1 4.02Å |
| 509 | N | 81.1 | Confident | 89.3 | Confident | 95 Ų | 95 | 55 Ų | 55 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -62.4 | -40.8 | 173.6 | -75.7 | -43.4 | 0 | 0 | 0 | 111 | S674 E675 A677 | N509-S674 PolarHBondContact ND2-O 3.42Å; N509-E675 PolarHBondContact N-O 2.85Å; N509-A677 WeakPolarHBondContact OD1-CA 3.23Å; N509-A677 WeakPolarHBondContact OD1-CB 3.44Å |
| 510 | Q | 81.3 | Confident | 89.3 | Confident | 139 Ų | 139 | 54.8 Ų | 54.8 | 65% | 0.65 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -141.6 | 156.7 | 173.9 | -63.5 | -174.2 | 3.7 | 0 | 0 | 108.7 | F508 | F508-Q510 VanDerWaalsContact C-N 3.29Å; F508-Q510 WeakPolarHBondContact CB-O 3.44Å |
| 511 | P | 84.5 | Confident | 89.4 | Confident | 70 Ų | 70 | 54.6 Ų | 54.6 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 126.2 | 175 | -23.4 | 34.2 | 0 | 0 | 0 | 110.3 | T646 | P511-T646 HydrophobicContact CG-CG2 4.49Š|
| 512 | P | 86.1 | Confident | 89.3 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 13% | 0.13 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 145.6 | -177 | 26.9 | -33.6 | 0 | 0 | 0 | 110.9 | F508 Q516 F535 | F508-P512 HydrophobicContact CD1-CB 4.48Å; F508-P512 HydrophobicContact CD1-CG 4.32Å; F508-P512 HydrophobicContact CE1-CG 4.32Å; F508-P512 HydrophobicContact CG-CG 4.47Å; F508-P512 HydrophobicContact CZ-CG 4.48Å; P512-Q516 HydrophobicContact CB-CB 3.94Å; P512-F535 HydrophobicContact CG-CE1 4.31Å |
| 513 | S | 87.8 | Confident | 89.2 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 162.5 | 167.2 | 79.7 | 0 | 0 | 0 | 0 | 110.8 | E515 Q516 E517 | S513-E515 PolarHBondContact O-N 2.87Å; S513-E515 VanDerWaalsContact O-N 3.14Å; S513-Q516 PolarHBondContact O-N 2.65Å; S513-Q516 VanDerWaalsContact O-N 3.08Å; S513-Q516 WeakPolarHBondContact OG-CG 3.41Å; S513-Q516 PolarHBondContact OG-N 3.45Å; S513-Q516 PolarHBondContact OG-OE1 3.11Å; S513-E517 WeakPolarHBondContact O-CB 3.49Å; S513-E517 PolarHBondContact O-N 3.01Å |
| 514 | S | 87 | Confident | 89 | Confident | 91 Ų | 91 | 58 Ų | 58 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -56.3 | -32.5 | 178.5 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | Q518 | S514-Q518 WeakPolarHBondContact O-CG 3.39Å; S514-Q518 PolarHBondContact O-N 3.02Å |
| 515 | E | 86.9 | Confident | 89 | Confident | 163 Ų | 163 | 64.3 Ų | 64.3 | 76% | 0.762 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -74.5 | -42.4 | 177 | -66.2 | 178.5 | 178 | 0 | 0 | 111.7 | S513 E517 Q518 S519 | S513-E515 PolarHBondContact O-N 2.87Å; S513-E515 VanDerWaalsContact O-N 3.14Å; E515-E517 VanDerWaalsContact C-N 3.35Å; E515-Q518 PolarHBondContact O-N 3.21Å; E515-S519 PolarHBondContact O-N 2.67Å |
| 516 | Q | 88.4 | Confident | 88.9 | Confident | 68 Ų | 68 | 68 Ų | 68 | 32% | 0.318 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 175.8 | -70.7 | 171.6 | -39.1 | 0 | 0 | 111.1 | P512 S513 Q518 S519 Y520 | P512-Q516 HydrophobicContact CB-CB 3.94Å; S513-Q516 PolarHBondContact O-N 2.65Å; S513-Q516 VanDerWaalsContact O-N 3.08Å; S513-Q516 WeakPolarHBondContact OG-CG 3.41Å; S513-Q516 PolarHBondContact OG-N 3.45Å; S513-Q516 PolarHBondContact OG-OE1 3.11Å; Q516-Q518 PolarHBondContact O-N 2.85Å; Q516-S519 PolarHBondContact O-N 3.14Å; Q516-Y520 WeakPolarHBondContact O-CB 3.3Å; Q516-Y520 PolarHBondContact O-N 2.89Å |
| 517 | E | 89.5 | Confident | 88.9 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 19% | 0.187 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 175.1 | -177.1 | 174.7 | 156.5 | 0 | 0 | 110.7 | S513 E515 S519 Y520 V521 F535 K559 | S513-E517 WeakPolarHBondContact O-CB 3.49Å; S513-E517 PolarHBondContact O-N 3.01Å; E515-E517 VanDerWaalsContact C-N 3.35Å; E517-S519 PolarHBondContact O-N 2.93Å; E517-Y520 PolarHBondContact O-N 2.88Å; E517-V521 VanDerWaalsContact O-CG2 3.29Å; E517-V521 WeakPolarHBondContact O-CG2 3.31Å; E517-V521 PolarHBondContact O-N 2.66Å; E517-F535 HydrophobicContact CG-CD2 4.35Å; E517-F535 HydrophobicContact CG-CE2 3.46Å; E517-F535 VanDerWaalsContact CG-CE2 3.46Å; E517-F535 HydrophobicContact CG-CZ 3.6Å; E517-F535 WeakPolarHBondContact OE1-CE2 3.43Å; E517-K559 IonicContact OE1-NZ 3.87Å; E517-K559 PolarHBondContact OE1-NZ 3.27Å; E517-K559 IonicContact OE2-NZ 3.5Å; E517-K559 PolarHBondContact OE2-NZ 3.22Å |
| 518 | Q | 90.5 | Very high | 88.7 | Confident | 123 Ų | 123 | 69.4 Ų | 69.4 | 58% | 0.575 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.2 | -39.1 | 178.1 | -74 | 177.3 | 19.3 | 0 | 0 | 113.1 | S514 E515 Q516 K522 | S514-Q518 WeakPolarHBondContact O-CG 3.39Å; S514-Q518 PolarHBondContact O-N 3.02Å; E515-Q518 PolarHBondContact O-N 3.21Å; Q516-Q518 PolarHBondContact O-N 2.85Å; Q518-K522 WeakPolarHBondContact O-CG 3.09Å; Q518-K522 PolarHBondContact O-N 2.65Å; Q518-K522 VanDerWaalsContact O-N 3.14Å |
| 519 | S | 90.1 | Very high | 88.7 | Confident | 76 Ų | 76 | 73.3 Ų | 73.3 | 53% | 0.531 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 176.5 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | E515 Q516 E517 K522 E523 | E515-S519 PolarHBondContact O-N 2.67Å; Q516-S519 PolarHBondContact O-N 3.14Å; E517-S519 PolarHBondContact O-N 2.93Å; S519-K522 PolarHBondContact O-N 2.89Å; S519-E523 PolarHBondContact O-N 3.47Å; S519-E523 VanDerWaalsContact O-N 3.1Å |
| 520 | Y | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 0% | 0.004 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.7 | 165.1 | -101.4 | 0 | 0 | 0 | 112.2 | T506 F508 Q516 E517 K522 E523 L524 F535 D650 L670 I676 | T506-Y520 HydrophobicContact CG2-CE2 4.4Å; T506-Y520 VanDerWaalsContact CG2-OH 3.3Å; T506-Y520 WeakPolarHBondContact CG2-OH 2.92Å; T506-Y520 PolarHBondContact OG1-OH 3.09Å; F508-Y520 HydrophobicContact CE1-CD1 4.47Å; F508-Y520 HydrophobicContact CE1-CD2 4.3Å; F508-Y520 HydrophobicContact CE1-CE2 4.47Å; F508-Y520 HydrophobicContact CE1-CG 4.28Å; F508-Y520 AromaticContact CZ-CD1 3.89Å; F508-Y520 HydrophobicContact CZ-CD1 3.89Å; F508-Y520 HydrophobicContact CZ-CD2 4.22Å; F508-Y520 AromaticContact CZ-CE1 3.73Å; F508-Y520 HydrophobicContact CZ-CE1 3.73Å; F508-Y520 HydrophobicContact CZ-CE2 4.07Å; F508-Y520 HydrophobicContact CZ-CG 4.12Å; F508-Y520 AromaticContact CZ-CZ 3.81Å; Q516-Y520 WeakPolarHBondContact O-CB 3.3Å; Q516-Y520 PolarHBondContact O-N 2.89Å; E517-Y520 PolarHBondContact O-N 2.88Å; Y520-K522 VanDerWaalsContact C-N 3.32Å; Y520-K522 PolarHBondContact O-N 2.84Å; Y520-E523 WeakPolarHBondContact O-CA 3.34Å; Y520-E523 VanDerWaalsContact O-CB 3.31Å; Y520-E523 WeakPolarHBondContact O-CB 3.37Å; Y520-E523 PolarHBondContact O-N 3.11Å; Y520-L524 HydrophobicContact CD1-CD1 4.21Å; Y520-L524 HydrophobicContact CD1-CG 4.48Å; Y520-L524 HydrophobicContact CE1-CD1 3.49Å; Y520-L524 VanDerWaalsContact CE1-CD1 3.49Å; Y520-L524 HydrophobicContact CE1-CG 4Å; Y520-L524 HydrophobicContact CE2-CD1 4.36Å; Y520-L524 HydrophobicContact CE2-CD2 3.94Å; Y520-L524 HydrophobicContact CE2-CG 4.06Å; Y520-L524 PolarHBondContact O-N 3.03Å; Y520-F535 HydrophobicContact CD1-CE1 4.49Å; Y520-F535 AromaticContact CD1-CZ 3.77Å; Y520-F535 HydrophobicContact CD1-CZ 3.77Å; Y520-F535 HydrophobicContact CE1-CE1 4.29Å; Y520-F535 AromaticContact CE1-CZ 3.8Å; Y520-F535 HydrophobicContact CE1-CZ 3.8Å; Y520-D650 HydrophobicContact CE1-CB 4.19Å; Y520-D650 VanDerWaalsContact CE1-OD2 3.23Å; Y520-D650 WeakPolarHBondContact CE1-OD2 3.36Å; Y520-D650 PolarHBondContact OH-OD2 3.36Å; Y520-L670 HydrophobicContact CE2-CD2 4.16Å; Y520-I676 HydrophobicContact CD2-CD1 3.86Å; Y520-I676 HydrophobicContact CE2-CD1 3.71Å |
| 521 | V | 92.1 | Very high | 89.9 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 16% | 0.158 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | E517 E523 L524 E525 H533 F535 | E517-V521 VanDerWaalsContact O-CG2 3.29Å; E517-V521 WeakPolarHBondContact O-CG2 3.31Å; E517-V521 PolarHBondContact O-N 2.66Å; V521-E523 VanDerWaalsContact C-N 3.26Å; V521-E523 PolarHBondContact O-N 2.91Å; V521-L524 WeakPolarHBondContact O-CB 3.48Å; V521-L524 PolarHBondContact O-N 3.03Å; V521-E525 WeakPolarHBondContact O-CG 3.23Å; V521-E525 PolarHBondContact O-N 2.73Å; V521-E525 VanDerWaalsContact O-N 3.1Å; V521-H533 VanDerWaalsContact CG2-CE1 3.47Å; V521-H533 WeakPolarHBondContact CG2-CE1 3.49Å; V521-F535 HydrophobicContact CG2-CE2 4.08Å |
| 522 | K | 91.6 | Very high | 90.3 | Very high | 133 Ų | 133 | 67 Ų | 67 | 58% | 0.578 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | 173.2 | -73.9 | 173.5 | -176.4 | 175 | 0 | 112.3 | Q518 S519 Y520 E525 T526 | Q518-K522 WeakPolarHBondContact O-CG 3.09Å; Q518-K522 PolarHBondContact O-N 2.65Å; Q518-K522 VanDerWaalsContact O-N 3.14Å; S519-K522 PolarHBondContact O-N 2.89Å; Y520-K522 VanDerWaalsContact C-N 3.32Å; Y520-K522 PolarHBondContact O-N 2.84Å; K522-E525 PolarHBondContact O-N 3.14Å; K522-T526 WeakPolarHBondContact O-CG2 3.48Å |
| 523 | E | 91.2 | Very high | 90.8 | Very high | 43 Ų | 43 | 67.4 Ų | 67.4 | 20% | 0.201 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 175.2 | -171.6 | 177.7 | -177.2 | 0 | 0 | 111.5 | S519 Y520 V521 E525 T526 L670 | S519-E523 PolarHBondContact O-N 3.47Å; S519-E523 VanDerWaalsContact O-N 3.1Å; Y520-E523 WeakPolarHBondContact O-CA 3.34Å; Y520-E523 VanDerWaalsContact O-CB 3.31Å; Y520-E523 WeakPolarHBondContact O-CB 3.37Å; Y520-E523 PolarHBondContact O-N 3.11Å; V521-E523 VanDerWaalsContact C-N 3.26Å; V521-E523 PolarHBondContact O-N 2.91Å; E523-E525 VanDerWaalsContact C-N 3.29Å; E523-E525 PolarHBondContact O-N 3.47Å; E523-T526 WeakPolarHBondContact O-CB 3.33Å; E523-T526 PolarHBondContact O-N 3.17Å; E523-T526 PolarHBondContact O-OG1 3.32Å; E523-L670 HydrophobicContact CG-CD2 4.28Å |
| 524 | L | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.6 | -39.9 | 174.6 | -68 | -178.6 | 0 | 0 | 0 | 112.7 | Y520 V521 T526 L527 F530 H533 L652 L670 | Y520-L524 HydrophobicContact CD1-CD1 4.21Å; Y520-L524 HydrophobicContact CD1-CG 4.48Å; Y520-L524 HydrophobicContact CE1-CD1 3.49Å; Y520-L524 VanDerWaalsContact CE1-CD1 3.49Å; Y520-L524 HydrophobicContact CE1-CG 4Å; Y520-L524 HydrophobicContact CE2-CD1 4.36Å; Y520-L524 HydrophobicContact CE2-CD2 3.94Å; Y520-L524 HydrophobicContact CE2-CG 4.06Å; Y520-L524 PolarHBondContact O-N 3.03Å; V521-L524 WeakPolarHBondContact O-CB 3.48Å; V521-L524 PolarHBondContact O-N 3.03Å; L524-T526 PolarHBondContact O-N 3.14Å; L524-L527 HydrophobicContact CD2-CD1 3.74Å; L524-L527 VanDerWaalsContact O-CB 3.27Å; L524-L527 WeakPolarHBondContact O-CB 3.25Å; L524-L527 WeakPolarHBondContact O-CG 3.33Å; L524-L527 PolarHBondContact O-N 2.82Å; L524-F530 HydrophobicContact CB-CD1 4.47Å; L524-F530 HydrophobicContact CB-CD2 4.3Å; L524-F530 HydrophobicContact CB-CE1 4.07Å; L524-F530 HydrophobicContact CB-CE2 3.89Å; L524-F530 HydrophobicContact CB-CZ 3.76Å; L524-F530 HydrophobicContact CD1-CE2 4.03Å; L524-F530 HydrophobicContact CD1-CZ 3.98Å; L524-F530 HydrophobicContact CG-CE2 4.43Å; L524-F530 WeakPolarHBondContact O-CB 3.26Å; L524-F530 WeakPolarHBondContact O-CD1 3.34Å; L524-F530 WeakPolarHBondContact O-CG 3.34Å; L524-H533 HydrophobicContact CD1-CB 3.83Å; L524-L652 HydrophobicContact CD1-CD2 3.75Å; L524-L652 HydrophobicContact CD2-CD1 4.36Å; L524-L652 HydrophobicContact CD2-CD2 3.68Å; L524-L652 HydrophobicContact CG-CD2 4.37Å; L524-L670 HydrophobicContact CD2-CD1 4.14Å; L524-L670 HydrophobicContact CD2-CD2 3.96Å |
| 525 | E | 91.6 | Very high | 91.6 | Very high | 133 Ų | 133 | 60.7 Ų | 60.7 | 62% | 0.621 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.5 | -20.2 | 177.3 | -70.5 | 176.2 | 173.2 | 0 | 0 | 113.2 | V521 K522 E523 L527 F530 | V521-E525 WeakPolarHBondContact O-CG 3.23Å; V521-E525 PolarHBondContact O-N 2.73Å; V521-E525 VanDerWaalsContact O-N 3.1Å; K522-E525 PolarHBondContact O-N 3.14Å; E523-E525 VanDerWaalsContact C-N 3.29Å; E523-E525 PolarHBondContact O-N 3.47Å; E525-L527 VanDerWaalsContact C-N 3.32Å; E525-F530 HydrophobicContact CG-CE1 4.38Å |
| 526 | T | 91.8 | Very high | 92 | Very high | 97 Ų | 97 | 53 Ų | 53 | 60% | 0.595 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -15.5 | 174.3 | 73.5 | 0 | 0 | 0 | 0 | 113.5 | K522 E523 L524 Q669 | K522-T526 WeakPolarHBondContact O-CG2 3.48Å; E523-T526 WeakPolarHBondContact O-CB 3.33Å; E523-T526 PolarHBondContact O-N 3.17Å; E523-T526 PolarHBondContact O-OG1 3.32Å; L524-T526 PolarHBondContact O-N 3.14Å; T526-Q669 PolarHBondContact OG1-NE2 3Å |
| 527 | L | 91 | Very high | 92.3 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -73.6 | 140.1 | -175.5 | -56.7 | 176.7 | 0 | 0 | 0 | 111.2 | L524 E525 N529 F530 I666 L670 | L524-L527 HydrophobicContact CD2-CD1 3.74Å; L524-L527 VanDerWaalsContact O-CB 3.27Å; L524-L527 WeakPolarHBondContact O-CB 3.25Å; L524-L527 WeakPolarHBondContact O-CG 3.33Å; L524-L527 PolarHBondContact O-N 2.82Å; E525-L527 VanDerWaalsContact C-N 3.32Å; L527-N529 PolarHBondContact O-N 3.03Å; L527-F530 HydrophobicContact CB-CB 4.13Å; L527-F530 WeakPolarHBondContact O-CB 3.37Å; L527-F530 PolarHBondContact O-N 3.13Å; L527-I666 HydrophobicContact CD1-CG2 3.74Å; L527-I666 HydrophobicContact CD2-CG1 4.22Å; L527-I666 HydrophobicContact CD2-CG2 4.21Å; L527-L670 HydrophobicContact CD1-CD1 4.32Å; L527-L670 HydrophobicContact CD1-CD2 4.49Å |
| 528 | A | 86.1 | Confident | 92.5 | Very high | 62 Ų | 62 | 51 Ų | 51 | 51% | 0.512 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 129.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F530 | A528-F530 PolarHBondContact O-N 2.71Š|
| 529 | N | 89.6 | Confident | 92.5 | Very high | 93 Ų | 93 | 46.9 Ų | 46.9 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 17.2 | -179.6 | -47 | -55.6 | 0 | 0 | 0 | 115.2 | L527 Q531 F654 S655 | L527-N529 PolarHBondContact O-N 3.03Å; N529-Q531 PolarHBondContact O-N 3.15Å; N529-F654 CarbonylContact O-C 3.43Å; N529-F654 VanDerWaalsContact O-CA 3.23Å; N529-F654 WeakPolarHBondContact O-CA 3.32Å; N529-F654 WeakPolarHBondContact O-CB 3.13Å; N529-S655 PolarHBondContact O-N 3.02Å |
| 530 | F | 92.9 | Very high | 92.5 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 17% | 0.171 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 134.4 | 171.3 | 176.5 | -104.6 | 0 | 0 | 0 | 110.4 | L524 E525 L527 A528 A532 H533 L652 F654 | L524-F530 HydrophobicContact CB-CD1 4.47Å; L524-F530 HydrophobicContact CB-CD2 4.3Å; L524-F530 HydrophobicContact CB-CE1 4.07Å; L524-F530 HydrophobicContact CB-CE2 3.89Å; L524-F530 HydrophobicContact CB-CZ 3.76Å; L524-F530 HydrophobicContact CD1-CE2 4.03Å; L524-F530 HydrophobicContact CD1-CZ 3.98Å; L524-F530 HydrophobicContact CG-CE2 4.43Å; L524-F530 WeakPolarHBondContact O-CB 3.26Å; L524-F530 WeakPolarHBondContact O-CD1 3.34Å; L524-F530 WeakPolarHBondContact O-CG 3.34Å; E525-F530 HydrophobicContact CG-CE1 4.38Å; L527-F530 HydrophobicContact CB-CB 4.13Å; L527-F530 WeakPolarHBondContact O-CB 3.37Å; L527-F530 PolarHBondContact O-N 3.13Å; A528-F530 PolarHBondContact O-N 2.71Å; F530-A532 WeakPolarHBondContact CE2-O 3.38Å; F530-H533 HydrophobicContact CE2-CB 4.02Å; F530-H533 HydrophobicContact CZ-CB 3.82Å; F530-L652 HydrophobicContact CE2-CD2 4.3Å; F530-F654 HydrophobicContact CB-CD1 4.47Å; F530-F654 HydrophobicContact CB-CE1 4.45Å |
| 531 | Q | 93.8 | Very high | 92.5 | Very high | 108 Ų | 108 | 46.1 Ų | 46.1 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -51.7 | -177.4 | -178.2 | 175.9 | -31.6 | 0 | 0 | 111.9 | N529 L653 S655 | N529-Q531 PolarHBondContact O-N 3.15Å; Q531-L653 HydrophobicContact CB-CG 4.42Å; Q531-L653 WeakPolarHBondContact CB-O 3.44Å; Q531-L653 HydrophobicContact CG-CD2 4.36Å; Q531-L653 PolarHBondContact N-O 2.86Å; Q531-S655 WeakPolarHBondContact CB-OG 3.44Å; Q531-S655 VanDerWaalsContact OE1-CA 3.25Å; Q531-S655 PolarHBondContact OE1-OG 2.77Å; Q531-S655 VanDerWaalsContact OE1-OG 3.08Å |
| 532 | A | 95 | Very high | 92.5 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 160.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F530 F567 L653 | F530-A532 WeakPolarHBondContact CE2-O 3.38Å; A532-F567 HydrophobicContact CB-CE2 4.36Å; A532-F567 HydrophobicContact CB-CZ 3.72Å; A532-L653 HydrophobicContact CB-CB 4.35Å; A532-L653 HydrophobicContact CB-CD2 4.3Å; A532-L653 PolarHBondContact N-O 3.23Å; A532-L653 WeakPolarHBondContact O-CB 3.38Å; A532-L653 PolarHBondContact O-N 3.47Å |
| 533 | H | 95.5 | Very high | 92.4 | Very high | 27 Ų | 27 | 39.6 Ų | 39.6 | 13% | 0.125 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 164 | 169.2 | 76.3 | 104 | 0 | 0 | 0 | 111.4 | V521 L524 F530 F535 F567 D650 L651 L652 | V521-H533 VanDerWaalsContact CG2-CE1 3.47Å; V521-H533 WeakPolarHBondContact CG2-CE1 3.49Å; L524-H533 HydrophobicContact CD1-CB 3.83Å; F530-H533 HydrophobicContact CE2-CB 4.02Å; F530-H533 HydrophobicContact CZ-CB 3.82Å; H533-F535 AromaticContact CE1-CD2 3.7Å; H533-F535 AromaticContact CE1-CE2 3.49Å; H533-F535 VanDerWaalsContact CE1-CE2 3.49Å; H533-F535 WeakPolarHBondContact CE1-CE2 3.19Å; H533-F535 AromaticContact ND1-CD2 3.87Å; H533-F535 AromaticContact ND1-CE2 3.73Å; H533-F567 WeakPolarHBondContact O-CZ 3.17Å; H533-D650 IonicContact CG-OD1 3.12Å; H533-D650 IonicContact CG-OD2 2.84Å; H533-D650 IonicContact ND1-OD1 3.59Å; H533-D650 PolarHBondContact ND1-OD1 2.8Å; H533-D650 IonicContact ND1-OD2 3.8Å; H533-L651 CarbonylContact C-O 3.49Å; H533-L651 WeakPolarHBondContact CA-O 3.31Å; H533-L652 HydrophobicContact CB-CD2 4.18Å |
| 534 | L | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 112.2 | 177.2 | -179.2 | 59.4 | 0 | 0 | 0 | 111.1 | V536 P558 E560 K563 L564 F567 D650 L651 | L534-V536 HydrophobicContact CD2-CG1 4.43Å; L534-V536 HydrophobicContact CG-CG1 4.12Å; L534-V536 PolarHBondContact O-N 2.64Å; L534-P558 HydrophobicContact CD1-CB 4.37Å; L534-P558 HydrophobicContact CD2-CB 4.12Å; L534-P558 HydrophobicContact CG-CB 4.44Å; L534-E560 HydrophobicContact CD1-CB 3.96Å; L534-K563 HydrophobicContact CD1-CB 4.28Å; L534-L564 HydrophobicContact CD2-CB 4.09Å; L534-L564 HydrophobicContact CD2-CD1 3.67Å; L534-F567 HydrophobicContact CB-CD1 4.28Å; L534-F567 HydrophobicContact CB-CD2 3.93Å; L534-F567 HydrophobicContact CB-CE1 4.03Å; L534-F567 HydrophobicContact CB-CE2 3.68Å; L534-F567 HydrophobicContact CB-CG 4.25Å; L534-F567 HydrophobicContact CB-CZ 3.74Å; L534-F567 HydrophobicContact CD2-CD2 3.85Å; L534-F567 HydrophobicContact CD2-CE2 4.29Å; L534-F567 HydrophobicContact CD2-CG 4.31Å; L534-D650 PolarHBondContact N-OD1 3.1Å; L534-L651 HydrophobicContact CB-CB 4.4Å; L534-L651 PolarHBondContact N-O 3.34Å; L534-L651 PolarHBondContact O-N 2.99Å |
| 535 | F | 96.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 130.6 | 170.7 | -78.5 | -74.6 | 0 | 0 | 0 | 110.9 | F508 P512 E517 Y520 V521 H533 K559 Y647 D650 | F508-F535 HydrophobicContact CE2-CD1 4.4Å; F508-F535 AromaticContact CE2-CE1 3.68Å; F508-F535 HydrophobicContact CE2-CE1 3.68Å; F508-F535 AromaticContact CZ-CE1 3.87Å; F508-F535 HydrophobicContact CZ-CE1 3.87Å; F508-F535 HydrophobicContact CZ-CZ 4.43Å; P512-F535 HydrophobicContact CG-CE1 4.31Å; E517-F535 HydrophobicContact CG-CD2 4.35Å; E517-F535 HydrophobicContact CG-CE2 3.46Å; E517-F535 VanDerWaalsContact CG-CE2 3.46Å; E517-F535 HydrophobicContact CG-CZ 3.6Å; E517-F535 WeakPolarHBondContact OE1-CE2 3.43Å; Y520-F535 HydrophobicContact CD1-CE1 4.49Å; Y520-F535 AromaticContact CD1-CZ 3.77Å; Y520-F535 HydrophobicContact CD1-CZ 3.77Å; Y520-F535 HydrophobicContact CE1-CE1 4.29Å; Y520-F535 AromaticContact CE1-CZ 3.8Å; Y520-F535 HydrophobicContact CE1-CZ 3.8Å; V521-F535 HydrophobicContact CG2-CE2 4.08Å; H533-F535 AromaticContact CE1-CD2 3.7Å; H533-F535 AromaticContact CE1-CE2 3.49Å; H533-F535 VanDerWaalsContact CE1-CE2 3.49Å; H533-F535 WeakPolarHBondContact CE1-CE2 3.19Å; H533-F535 AromaticContact ND1-CD2 3.87Å; H533-F535 AromaticContact ND1-CE2 3.73Å; F535-K559 HydrophobicContact CB-CB 3.95Å; F535-K559 HydrophobicContact CB-CD 3.95Å; F535-K559 WeakPolarHBondContact O-CB 3.4Å; F535-K559 PolarHBondContact O-N 2.84Å; F535-Y647 HydrophobicContact CB-CD1 4.49Å; F535-Y647 HydrophobicContact CB-CG 4.48Å; F535-D650 HydrophobicContact CD1-CB 3.84Å; F535-D650 HydrophobicContact CE1-CB 3.83Å; F535-D650 HydrophobicContact CG-CB 4.47Å; F535-D650 HydrophobicContact CZ-CB 4.44Å; F535-D650 PolarHBondContact N-OD1 3.18Å; F535-D650 VanDerWaalsContact N-OD1 3.13Å |
| 536 | V | 95.3 | Very high | 91 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 141.7 | 177.3 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | L534 V557 P558 N648 T649 L651 | L534-V536 HydrophobicContact CD2-CG1 4.43Å; L534-V536 HydrophobicContact CG-CG1 4.12Å; L534-V536 PolarHBondContact O-N 2.64Å; V536-V557 CarbonylContact C-O 3.56Å; V536-V557 VanDerWaalsContact CA-O 3.29Å; V536-V557 WeakPolarHBondContact CA-O 3.21Å; V536-P558 HydrophobicContact CG1-CB 4.41Å; V536-N648 PolarHBondContact O-N 2.95Å; V536-N648 PolarHBondContact O-OD1 3.36Å; V536-T649 HydrophobicContact CG2-CG2 3.97Å; V536-T649 PolarHBondContact N-O 2.8Å; V536-T649 PolarHBondContact O-N 3.42Å; V536-T649 VanDerWaalsContact O-N 3.1Å; V536-L651 HydrophobicContact CG1-CD1 3.84Å; V536-L651 HydrophobicContact CG1-CG 3.98Å; V536-L651 HydrophobicContact CG2-CD2 4.14Å; V536-L651 HydrophobicContact CG2-CG 4.1Å |
| 537 | S | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.6 | 165.7 | 177.1 | 0 | 0 | 0 | 0 | 107.8 | S556 V557 T646 | S537-S556 CarbonylContact O-C 3.58Å; S537-S556 VanDerWaalsContact O-CA 3.28Å; S537-S556 WeakPolarHBondContact O-CA 3.49Å; S537-V557 PolarHBondContact N-O 2.67Å; S537-V557 PolarHBondContact O-N 2.8Å; S537-T646 WeakPolarHBondContact CB-O 3.48Å; S537-T646 PolarHBondContact OG-O 3.11Å; S537-T646 VanDerWaalsContact OG-O 3.12Å |
| 538 | L | 93 | Very high | 89.6 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 35% | 0.346 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 114.1 | 177.3 | -170.5 | 68.4 | 0 | 0 | 0 | 110 | L555 N648 | L538-L555 WeakPolarHBondContact CA-O 3.47Å; L538-N648 PolarHBondContact N-OD1 2.88Å; L538-N648 PolarHBondContact O-ND2 3.34Å |
| 539 | E | 91.4 | Very high | 89.2 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.3 | 177 | -71.5 | -172.4 | -141.9 | 0 | 0 | 110.9 | F541 L555 Y637 K643 | E539-F541 HydrophobicContact CB-CD2 4.16Å; E539-F541 HydrophobicContact CB-CE2 3.64Å; E539-L555 PolarHBondContact N-O 3.5Å; E539-L555 PolarHBondContact O-N 2.82Å; E539-Y637 PolarHBondContact OE1-OH 2.68Å; E539-K643 IonicContact OE1-NZ 3.26Å; E539-K643 PolarHBondContact OE1-NZ 2.81Å; E539-K643 VanDerWaalsContact OE1-NZ 3.12Å; E539-K643 IonicContact OE2-NZ 3.84Å |
| 540 | T | 89.9 | Confident | 88.9 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 36% | 0.362 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.5 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 541 | F | 91.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 168.5 | 175.5 | -76.6 | -97.9 | 0 | 0 | 0 | 110.1 | E539 I553 L555 I606 K607 Y614 F641 | E539-F541 HydrophobicContact CB-CD2 4.16Å; E539-F541 HydrophobicContact CB-CE2 3.64Å; F541-I553 PolarHBondContact N-O 2.86Å; F541-I553 PolarHBondContact O-N 3.27Å; F541-L555 HydrophobicContact CD2-CB 3.71Å; F541-L555 HydrophobicContact CD2-CD1 3.85Å; F541-L555 HydrophobicContact CD2-CG 4.41Å; F541-L555 HydrophobicContact CE2-CB 4.07Å; F541-L555 HydrophobicContact CE2-CD1 3.74Å; F541-L555 HydrophobicContact CE2-CG 4.4Å; F541-L555 HydrophobicContact CZ-CD1 4.34Å; F541-I606 HydrophobicContact CB-CB 4.36Å; F541-I606 HydrophobicContact CD1-CB 4.24Å; F541-I606 HydrophobicContact CD1-CD1 3.98Å; F541-I606 HydrophobicContact CD1-CG1 4.11Å; F541-I606 HydrophobicContact CE1-CD1 4.35Å; F541-I606 HydrophobicContact CG-CD1 4.29Å; F541-K607 CarbonylContact C-O 3.54Å; F541-K607 WeakPolarHBondContact CA-O 3.47Å; F541-Y614 HydrophobicContact CE1-CD2 4.14Å; F541-Y614 HydrophobicContact CE1-CE2 4.38Å; F541-F641 AromaticContact CE1-CE1 3.59Å; F541-F641 HydrophobicContact CE1-CE1 3.59Å; F541-F641 AromaticContact CE1-CZ 3.9Å; F541-F641 HydrophobicContact CE1-CZ 3.9Å; F541-F641 HydrophobicContact CE2-CZ 4.35Å; F541-F641 HydrophobicContact CZ-CD1 4.45Å; F541-F641 AromaticContact CZ-CE1 3.47Å; F541-F641 HydrophobicContact CZ-CE1 3.47Å; F541-F641 VanDerWaalsContact CZ-CE1 3.47Å; F541-F641 AromaticContact CZ-CZ 3.62Å; F541-F641 HydrophobicContact CZ-CZ 3.62Å |
| 542 | T | 91.6 | Very high | 88.4 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.7 | 178.2 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | K550 Q551 E552 K607 | T542-K550 WeakPolarHBondContact OG1-CE 3.25Å; T542-Q551 CarbonylContact C-O 3.49Å; T542-Q551 WeakPolarHBondContact CA-O 3.49Å; T542-E552 HydrophobicContact CG2-CG 4.34Å; T542-K607 PolarHBondContact N-O 2.89Å; T542-K607 WeakPolarHBondContact O-CB 3.28Å; T542-K607 PolarHBondContact O-N 2.81Å; T542-K607 PolarHBondContact OG1-O 3.23Å |
| 543 | A | 90.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q551 I553 F596 F604 | A543-Q551 PolarHBondContact N-O 3.01Å; A543-Q551 PolarHBondContact O-N 3.33Å; A543-I553 HydrophobicContact CB-CD1 3.51Å; A543-F596 HydrophobicContact CB-CE1 3.92Å; A543-F596 HydrophobicContact CB-CE2 4.3Å; A543-F596 HydrophobicContact CB-CZ 3.6Å; A543-F604 HydrophobicContact CB-CD2 4.49Å; A543-F604 HydrophobicContact CB-CE2 4.43Å |
| 544 | Q | 83.9 | Confident | 88.1 | Confident | 140 Ų | 140 | 49.3 Ų | 49.3 | 65% | 0.654 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 137 | 177.9 | -171 | 177 | -1.3 | 0 | 0 | 109 | ||
| 545 | T | 84.2 | Confident | 88 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 170 | 173.3 | -168.8 | 0 | 0 | 0 | 0 | 109.8 | G547 V548 F596 | T545-G547 PolarHBondContact O-N 3.03Å; T545-V548 HydrophobicContact CG2-CB 3.73Å; T545-V548 HydrophobicContact CG2-CG2 3.52Å; T545-V548 PolarHBondContact O-N 3.41Å; T545-F596 HydrophobicContact CG2-CD1 3.46Å; T545-F596 VanDerWaalsContact CG2-CD1 3.46Å; T545-F596 HydrophobicContact CG2-CE1 3.65Å; T545-F596 HydrophobicContact CG2-CG 4.36Å |
| 546 | E | 77 | Confident | 87.9 | Confident | 192 Ų | 192 | 49.4 Ų | 49.4 | 90% | 0.897 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 127.7 | 176.4 | -165.7 | 171.8 | -172.7 | 0 | 0 | 110.4 | V548 | E546-V548 VanDerWaalsContact C-N 3.32Å; E546-V548 PolarHBondContact O-N 3.12Å |
| 547 | G | 74.1 | Confident | 87.9 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 89% | 0.887 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -11.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | T545 | T545-G547 PolarHBondContact O-N 3.03Š|
| 548 | V | 79.4 | Confident | 88 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.4 | 179 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | T545 E546 Q551 L595 F596 | T545-V548 HydrophobicContact CG2-CB 3.73Å; T545-V548 HydrophobicContact CG2-CG2 3.52Å; T545-V548 PolarHBondContact O-N 3.41Å; E546-V548 VanDerWaalsContact C-N 3.32Å; E546-V548 PolarHBondContact O-N 3.12Å; V548-Q551 HydrophobicContact CG1-CG 4.27Å; V548-L595 HydrophobicContact CG1-CB 4.37Å; V548-L595 WeakPolarHBondContact CG2-O 3.21Å; V548-F596 HydrophobicContact CG1-CE2 4.02Å; V548-F596 HydrophobicContact CG1-CZ 3.97Å |
| 549 | S | 78.2 | Confident | 88 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 161.9 | 176.7 | 80.6 | 0 | 0 | 0 | 0 | 111.1 | Q551 D780 | S549-Q551 PolarHBondContact O-N 2.94Å; S549-Q551 VanDerWaalsContact O-N 3.14Å; S549-Q551 PolarHBondContact O-NE2 3.03Å; S549-Q551 PolarHBondContact OG-NE2 3.42Å; S549-D780 PolarHBondContact OG-OD2 3.43Å |
| 550 | K | 82.8 | Confident | 87.9 | Confident | 119 Ų | 119 | 51.7 Ų | 51.7 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 117.3 | 179.9 | -178.2 | -170.8 | 176.1 | -159 | 0 | 109.6 | T542 | T542-K550 WeakPolarHBondContact OG1-CE 3.25Å |
| 551 | Q | 87.9 | Confident | 87.9 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 2% | 0.023 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 139.5 | 177.7 | -58.2 | -49.2 | -46.2 | 0 | 0 | 110.9 | T542 A543 V548 S549 L595 F596 D780 | T542-Q551 CarbonylContact C-O 3.49Å; T542-Q551 WeakPolarHBondContact CA-O 3.49Å; A543-Q551 PolarHBondContact N-O 3.01Å; A543-Q551 PolarHBondContact O-N 3.33Å; V548-Q551 HydrophobicContact CG1-CG 4.27Å; S549-Q551 PolarHBondContact O-N 2.94Å; S549-Q551 VanDerWaalsContact O-N 3.14Å; S549-Q551 PolarHBondContact O-NE2 3.03Å; S549-Q551 PolarHBondContact OG-NE2 3.42Å; Q551-L595 HydrophobicContact CG-CD1 4.45Å; Q551-F596 HydrophobicContact CB-CE2 4.3Å; Q551-F596 HydrophobicContact CB-CZ 4.42Å; Q551-F596 HydrophobicContact CG-CE2 3.76Å; Q551-F596 HydrophobicContact CG-CZ 4.01Å; Q551-D780 PolarHBondContact NE2-OD2 3.04Å |
| 552 | E | 87.7 | Confident | 87.7 | Confident | 110 Ų | 110 | 57 Ų | 57 | 51% | 0.514 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.2 | 171.6 | -63.5 | -169.4 | 163.4 | 0 | 0 | 109.9 | T542 | T542-E552 HydrophobicContact CG2-CG 4.34Å |
| 553 | I | 91.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 126 | -173.3 | -56.8 | 172.5 | 0 | 0 | 0 | 108.4 | F541 A543 L592 F604 I606 H628 I630 | F541-I553 PolarHBondContact N-O 2.86Å; F541-I553 PolarHBondContact O-N 3.27Å; A543-I553 HydrophobicContact CB-CD1 3.51Å; I553-L592 HydrophobicContact CD1-CD1 4.03Å; I553-L592 HydrophobicContact CD1-CD2 3.87Å; I553-L592 HydrophobicContact CG1-CD1 4.36Å; I553-L592 HydrophobicContact CG1-CD2 4.35Å; I553-F604 HydrophobicContact CD1-CE2 4.23Å; I553-I606 HydrophobicContact CD1-CG2 4.33Å; I553-H628 WeakPolarHBondContact CA-O 3.39Å; I553-H628 HydrophobicContact CB-CB 4.44Å; I553-H628 HydrophobicContact CG1-CB 3.98Å; I553-H628 HydrophobicContact CG2-CB 4.46Å; I553-I630 HydrophobicContact CD1-CD1 4.3Å; I553-I630 HydrophobicContact CG2-CB 4.13Å; I553-I630 HydrophobicContact CG2-CD1 3.57Å; I553-I630 HydrophobicContact CG2-CG1 3.54Å |
| 554 | S | 92.6 | Very high | 87.7 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.4 | 171.6 | -63.1 | 0 | 0 | 0 | 0 | 109.6 | H628 F629 I630 | S554-H628 PolarHBondContact N-O 2.87Å; S554-F629 VanDerWaalsContact O-CA 3.29Å; S554-F629 WeakPolarHBondContact O-CA 3.4Å; S554-I630 PolarHBondContact O-N 2.71Å |
| 555 | L | 94.4 | Very high | 88 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.6 | 175.3 | -173.9 | 157.3 | 0 | 0 | 0 | 108.7 | L538 E539 F541 V557 I606 I630 M632 Y637 F641 | L538-L555 WeakPolarHBondContact CA-O 3.47Å; E539-L555 PolarHBondContact N-O 3.5Å; E539-L555 PolarHBondContact O-N 2.82Å; F541-L555 HydrophobicContact CD2-CB 3.71Å; F541-L555 HydrophobicContact CD2-CD1 3.85Å; F541-L555 HydrophobicContact CD2-CG 4.41Å; F541-L555 HydrophobicContact CE2-CB 4.07Å; F541-L555 HydrophobicContact CE2-CD1 3.74Å; F541-L555 HydrophobicContact CE2-CG 4.4Å; F541-L555 HydrophobicContact CZ-CD1 4.34Å; L555-V557 HydrophobicContact CD2-CG2 3.57Å; L555-I606 HydrophobicContact CD1-CD1 4.05Å; L555-I630 CarbonylContact C-O 3.56Å; L555-I630 WeakPolarHBondContact CA-O 3.47Å; L555-I630 HydrophobicContact CB-CB 4.42Å; L555-I630 HydrophobicContact CD1-CG2 4.24Å; L555-I630 HydrophobicContact CG-CB 4.35Å; L555-I630 HydrophobicContact CG-CG2 4.06Å; L555-M632 HydrophobicContact CD1-CE 3.42Å; L555-M632 VanDerWaalsContact CD1-CE 3.42Å; L555-M632 HydrophobicContact CD1-SD 4.37Å; L555-M632 HydrophobicContact CD2-CE 4.26Å; L555-M632 HydrophobicContact CD2-SD 4.45Å; L555-M632 HydrophobicContact CG-CE 3.84Å; L555-Y637 HydrophobicContact CD2-CD2 4Å; L555-Y637 HydrophobicContact CD2-CE2 3.99Å; L555-F641 HydrophobicContact CD1-CE2 4.02Å; L555-F641 HydrophobicContact CD1-CZ 3.89Å |
| 556 | S | 93.9 | Very high | 88.3 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.3 | -178.7 | -178.3 | 0 | 0 | 0 | 0 | 111 | S537 I630 Y631 M632 | S537-S556 CarbonylContact O-C 3.58Å; S537-S556 VanDerWaalsContact O-CA 3.28Å; S537-S556 WeakPolarHBondContact O-CA 3.49Å; S556-I630 PolarHBondContact N-O 2.87Å; S556-Y631 WeakPolarHBondContact O-CA 3.23Å; S556-M632 PolarHBondContact O-N 3.33Å |
| 557 | V | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 112.8 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | V536 S537 L555 M632 P634 Y637 P645 | V536-V557 CarbonylContact C-O 3.56Å; V536-V557 VanDerWaalsContact CA-O 3.29Å; V536-V557 WeakPolarHBondContact CA-O 3.21Å; S537-V557 PolarHBondContact N-O 2.67Å; S537-V557 PolarHBondContact O-N 2.8Å; L555-V557 HydrophobicContact CD2-CG2 3.57Å; V557-M632 HydrophobicContact CG2-CG 3.78Å; V557-P634 HydrophobicContact CG1-CB 4.3Å; V557-P634 HydrophobicContact CG1-CG 3.92Å; V557-Y637 HydrophobicContact CG2-CD2 3.54Å; V557-Y637 HydrophobicContact CG2-CE2 4.21Å; V557-Y637 HydrophobicContact CG2-CG 4.03Å; V557-P645 HydrophobicContact CB-CB 4.35Å; V557-P645 HydrophobicContact CG1-CB 4.24Å; V557-P645 HydrophobicContact CG1-CG 3.92Å |
| 558 | P | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.8 | 177.3 | 35.3 | -39.2 | 0 | 0 | 0 | 111.4 | L534 V536 E560 T561 L564 L581 M632 P634 | L534-P558 HydrophobicContact CD1-CB 4.37Å; L534-P558 HydrophobicContact CD2-CB 4.12Å; L534-P558 HydrophobicContact CG-CB 4.44Å; V536-P558 HydrophobicContact CG1-CB 4.41Å; P558-E560 VanDerWaalsContact C-N 3.31Å; P558-T561 HydrophobicContact CG-CG2 4.02Å; P558-L564 HydrophobicContact CB-CB 4.44Å; P558-L564 HydrophobicContact CB-CD1 4.25Å; P558-L564 HydrophobicContact CB-CD2 4.44Å; P558-L564 HydrophobicContact CG-CD2 3.95Å; P558-L581 HydrophobicContact CG-CD1 3.86Å; P558-M632 WeakPolarHBondContact CD-O 3.5Å; P558-P634 WeakPolarHBondContact O-CG 3.34Å |
| 559 | K | 93.2 | Very high | 90.4 | Very high | 78 Ų | 78 | 44.4 Ų | 44.4 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -62.5 | -41.5 | 171.4 | -168.2 | 172 | -177.2 | 179.9 | 0 | 111 | E517 F535 Y647 | E517-K559 IonicContact OE1-NZ 3.87Å; E517-K559 PolarHBondContact OE1-NZ 3.27Å; E517-K559 IonicContact OE2-NZ 3.5Å; E517-K559 PolarHBondContact OE2-NZ 3.22Å; F535-K559 HydrophobicContact CB-CB 3.95Å; F535-K559 HydrophobicContact CB-CD 3.95Å; F535-K559 WeakPolarHBondContact O-CB 3.4Å; F535-K559 PolarHBondContact O-N 2.84Å; K559-Y647 VanDerWaalsContact CA-CE1 3.41Å; K559-Y647 HydrophobicContact CB-CD1 3.82Å; K559-Y647 HydrophobicContact CB-CE1 3.49Å; K559-Y647 VanDerWaalsContact CB-CE1 3.49Å; K559-Y647 HydrophobicContact CB-CE2 4.31Å; K559-Y647 HydrophobicContact CB-CG 4.37Å; K559-Y647 HydrophobicContact CD-CD2 4.07Å; K559-Y647 HydrophobicContact CD-CE2 4.11Å; K559-Y647 HydrophobicContact CD-CG 4.33Å; K559-Y647 HydrophobicContact CG-CD1 4.39Å; K559-Y647 HydrophobicContact CG-CD2 4.29Å; K559-Y647 HydrophobicContact CG-CE1 4Å; K559-Y647 HydrophobicContact CG-CE2 3.88Å |
| 560 | E | 91 | Very high | 91 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 35% | 0.346 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -116.8 | 101 | 176.8 | -65.4 | 179 | -98 | 0 | 0 | 110.6 | L534 P558 T562 K563 | L534-E560 HydrophobicContact CD1-CB 3.96Å; P558-E560 VanDerWaalsContact C-N 3.31Å; E560-T562 VanDerWaalsContact C-N 3.26Å; E560-T562 PolarHBondContact O-N 2.92Å; E560-K563 HydrophobicContact CB-CB 4.36Å; E560-K563 HydrophobicContact CB-CD 4.29Å; E560-K563 HydrophobicContact CB-CG 4.36Å; E560-K563 PolarHBondContact O-N 2.86Å; E560-K563 IonicContact OE1-NZ 2.65Å; E560-K563 PolarHBondContact OE1-NZ 3Å; E560-K563 WeakPolarHBondContact OE2-CE 3.25Å; E560-K563 IonicContact OE2-NZ 3.85Å; E560-K563 PolarHBondContact OE2-NZ 3.2Å |
| 561 | T | 89.6 | Confident | 91.4 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 36% | 0.362 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -29 | -176.1 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | P558 L564 T633 | P558-T561 HydrophobicContact CG-CG2 4.02Å; T561-L564 WeakPolarHBondContact O-CB 3.25Å; T561-T633 HydrophobicContact CG2-CG2 3.89Å |
| 562 | T | 87.9 | Confident | 91.4 | Very high | 112 Ų | 112 | 40.5 Ų | 40.5 | 69% | 0.687 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -32.5 | -178.3 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | E560 L564 S565 | E560-T562 VanDerWaalsContact C-N 3.26Å; E560-T562 PolarHBondContact O-N 2.92Å; T562-L564 VanDerWaalsContact C-N 3.33Å; T562-S565 PolarHBondContact O-OG 2.82Å |
| 563 | K | 89.3 | Confident | 91.3 | Very high | 74 Ų | 74 | 37.9 Ų | 37.9 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -19.5 | 177.7 | -71.5 | -176.4 | -178.4 | 163.5 | 0 | 113 | L534 E560 S565 D566 F567 | L534-K563 HydrophobicContact CD1-CB 4.28Å; E560-K563 HydrophobicContact CB-CB 4.36Å; E560-K563 HydrophobicContact CB-CD 4.29Å; E560-K563 HydrophobicContact CB-CG 4.36Å; E560-K563 PolarHBondContact O-N 2.86Å; E560-K563 IonicContact OE1-NZ 2.65Å; E560-K563 PolarHBondContact OE1-NZ 3Å; E560-K563 WeakPolarHBondContact OE2-CE 3.25Å; E560-K563 IonicContact OE2-NZ 3.85Å; E560-K563 PolarHBondContact OE2-NZ 3.2Å; K563-S565 PolarHBondContact O-N 2.88Å; K563-S565 VanDerWaalsContact O-N 3.09Å; K563-D566 WeakPolarHBondContact O-CB 3.31Å; K563-D566 PolarHBondContact O-N 3.5Å; K563-F567 HydrophobicContact CB-CE2 4.43Å; K563-F567 VanDerWaalsContact O-CD2 3.31Å; K563-F567 WeakPolarHBondContact O-CD2 3.37Å |
| 564 | L | 91.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55 | -33.8 | -174 | -175.6 | 64.5 | 0 | 0 | 0 | 113.5 | L534 P558 T561 T562 D566 F567 L568 F570 L581 | L534-L564 HydrophobicContact CD2-CB 4.09Å; L534-L564 HydrophobicContact CD2-CD1 3.67Å; P558-L564 HydrophobicContact CB-CB 4.44Å; P558-L564 HydrophobicContact CB-CD1 4.25Å; P558-L564 HydrophobicContact CB-CD2 4.44Å; P558-L564 HydrophobicContact CG-CD2 3.95Å; T561-L564 WeakPolarHBondContact O-CB 3.25Å; T562-L564 VanDerWaalsContact C-N 3.33Å; L564-D566 PolarHBondContact O-N 3.2Å; L564-F567 PolarHBondContact O-N 3.42Å; L564-F567 VanDerWaalsContact O-N 3.09Å; L564-L568 HydrophobicContact CD1-CB 4.26Å; L564-L568 HydrophobicContact CD1-CD1 3.67Å; L564-L568 HydrophobicContact CD1-CG 4.41Å; L564-L568 HydrophobicContact CG-CB 4.45Å; L564-L568 PolarHBondContact O-N 3.35Å; L564-F570 HydrophobicContact CD2-CE2 3.52Å; L564-F570 HydrophobicContact CD2-CZ 3.78Å; L564-F570 HydrophobicContact CG-CE2 4.16Å; L564-F570 HydrophobicContact CG-CZ 4.42Å; L564-L581 HydrophobicContact CD2-CD1 3.28Å; L564-L581 HydrophobicContact CD2-CG 4.02Å |
| 565 | S | 89.6 | Confident | 90.6 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.2 | -26.5 | 178.9 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | T562 K563 F567 L568 | T562-S565 PolarHBondContact O-OG 2.82Å; K563-S565 PolarHBondContact O-N 2.88Å; K563-S565 VanDerWaalsContact O-N 3.09Å; S565-F567 VanDerWaalsContact C-N 3.31Å; S565-L568 WeakPolarHBondContact CA-O 3.38Å |
| 566 | D | 91.1 | Very high | 89.8 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -76.6 | -24.5 | -179.8 | -59 | -17.5 | 0 | 0 | 0 | 111.5 | H501 K563 L564 L653 | H501-D566 WeakPolarHBondContact CB-O 3.34Å; K563-D566 WeakPolarHBondContact O-CB 3.31Å; K563-D566 PolarHBondContact O-N 3.5Å; L564-D566 PolarHBondContact O-N 3.2Å; D566-L653 HydrophobicContact CB-CD2 4.46Å |
| 567 | F | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -98.5 | -33 | -179.8 | -61.6 | -100.1 | 0 | 0 | 0 | 111.5 | H501 Y502 A532 H533 L534 K563 L564 S565 L651 L653 | H501-F567 WeakPolarHBondContact CB-O 3.49Å; H501-F567 PolarHBondContact N-O 2.96Å; Y502-F567 WeakPolarHBondContact CD1-O 3.08Å; Y502-F567 PolarHBondContact N-O 2.9Å; A532-F567 HydrophobicContact CB-CE2 4.36Å; A532-F567 HydrophobicContact CB-CZ 3.72Å; H533-F567 WeakPolarHBondContact O-CZ 3.17Å; L534-F567 HydrophobicContact CB-CD1 4.28Å; L534-F567 HydrophobicContact CB-CD2 3.93Å; L534-F567 HydrophobicContact CB-CE1 4.03Å; L534-F567 HydrophobicContact CB-CE2 3.68Å; L534-F567 HydrophobicContact CB-CG 4.25Å; L534-F567 HydrophobicContact CB-CZ 3.74Å; L534-F567 HydrophobicContact CD2-CD2 3.85Å; L534-F567 HydrophobicContact CD2-CE2 4.29Å; L534-F567 HydrophobicContact CD2-CG 4.31Å; K563-F567 HydrophobicContact CB-CE2 4.43Å; K563-F567 VanDerWaalsContact O-CD2 3.31Å; K563-F567 WeakPolarHBondContact O-CD2 3.37Å; L564-F567 PolarHBondContact O-N 3.42Å; L564-F567 VanDerWaalsContact O-N 3.09Å; S565-F567 VanDerWaalsContact C-N 3.31Å; F567-L651 HydrophobicContact CB-CD1 4.28Å; F567-L651 HydrophobicContact CD1-CB 3.76Å; F567-L651 HydrophobicContact CE1-CB 4.19Å; F567-L651 WeakPolarHBondContact CE1-O 3.47Å; F567-L653 HydrophobicContact CD1-CB 4.05Å; F567-L653 HydrophobicContact CE1-CB 3.56Å; F567-L653 HydrophobicContact CZ-CB 4.1Å |
| 568 | L | 91.7 | Very high | 89 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -141.2 | 128.8 | -170.2 | -75.8 | 167.5 | 0 | 0 | 0 | 111.2 | L499 W500 Y502 L564 S565 F570 Y631 | L499-L568 WeakPolarHBondContact O-CA 3.18Å; W500-L568 HydrophobicContact CG-CD2 3.9Å; Y502-L568 HydrophobicContact CD1-CD2 4.18Å; Y502-L568 HydrophobicContact CD1-CG 4.33Å; Y502-L568 HydrophobicContact CE1-CD2 3.74Å; Y502-L568 HydrophobicContact CE1-CG 4.25Å; L564-L568 HydrophobicContact CD1-CB 4.26Å; L564-L568 HydrophobicContact CD1-CD1 3.67Å; L564-L568 HydrophobicContact CD1-CG 4.41Å; L564-L568 HydrophobicContact CG-CB 4.45Å; L564-L568 PolarHBondContact O-N 3.35Å; S565-L568 WeakPolarHBondContact CA-O 3.38Å; L568-F570 HydrophobicContact CB-CZ 4.39Å; L568-Y631 HydrophobicContact CD1-CD1 4.38Å; L568-Y631 HydrophobicContact CD1-CE1 3.47Å; L568-Y631 VanDerWaalsContact CD1-CE1 3.47Å |
| 569 | S | 91.3 | Very high | 88.7 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | trans | -101.1 | 110.5 | 173.7 | -77.8 | 0 | 0 | 0 | 0 | 111.6 | L499 H501 K571 | L499-S569 WeakPolarHBondContact CD2-O 3.46Å; L499-S569 PolarHBondContact O-N 2.85Å; H501-S569 PolarHBondContact NE2-OG 2.85Å; S569-K571 PolarHBondContact O-N 3.48Å | ||
| 570 | F | 90.5 | Very high | 88.4 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 104.2 | 168.3 | -56.2 | -55.7 | 0 | 0 | 0 | 109.5 | L564 L568 C578 Y579 L581 I587 A622 Y631 | L564-F570 HydrophobicContact CD2-CE2 3.52Å; L564-F570 HydrophobicContact CD2-CZ 3.78Å; L564-F570 HydrophobicContact CG-CE2 4.16Å; L564-F570 HydrophobicContact CG-CZ 4.42Å; L568-F570 HydrophobicContact CB-CZ 4.39Å; F570-C578 CarbonylContact O-C 3.49Å; F570-C578 VanDerWaalsContact O-CA 3.3Å; F570-C578 WeakPolarHBondContact O-CA 3.37Å; F570-Y579 PolarHBondContact O-N 3.41Å; F570-L581 HydrophobicContact CE2-CD2 4.5Å; F570-L581 HydrophobicContact CE2-CG 4.23Å; F570-I587 HydrophobicContact CB-CD1 4.29Å; F570-I587 HydrophobicContact CD1-CG2 4.01Å; F570-I587 HydrophobicContact CD2-CD1 3.73Å; F570-I587 HydrophobicContact CE1-CG2 4.47Å; F570-I587 HydrophobicContact CE2-CD1 4.18Å; F570-I587 HydrophobicContact CG-CD1 3.91Å; F570-I587 HydrophobicContact CG-CG2 4.29Å; F570-A622 HydrophobicContact CB-CB 4.07Å; F570-A622 HydrophobicContact CD1-CB 4.15Å; F570-Y631 HydrophobicContact CD1-CD2 4.46Å; F570-Y631 HydrophobicContact CE1-CD1 4.29Å; F570-Y631 AromaticContact CE1-CD2 3.37Å; F570-Y631 HydrophobicContact CE1-CD2 3.37Å; F570-Y631 HydrophobicContact CE1-CE1 4.49Å; F570-Y631 AromaticContact CE1-CE2 3.6Å; F570-Y631 HydrophobicContact CE1-CE2 3.6Å; F570-Y631 AromaticContact CE1-CG 3.74Å; F570-Y631 HydrophobicContact CE1-CG 3.74Å; F570-Y631 AromaticContact CZ-CD1 3.84Å; F570-Y631 HydrophobicContact CZ-CD1 3.84Å; F570-Y631 AromaticContact CZ-CD2 3.7Å; F570-Y631 HydrophobicContact CZ-CD2 3.7Å; F570-Y631 HydrophobicContact CZ-CE1 4.28Å; F570-Y631 HydrophobicContact CZ-CE2 4.13Å; F570-Y631 AromaticContact CZ-CG 3.53Å; F570-Y631 HydrophobicContact CZ-CG 3.53Å |
| 571 | K | 89.6 | Confident | 88.3 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 22% | 0.217 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.7 | -179.4 | -71.2 | 175.7 | 163.3 | -136.7 | 0 | 111.1 | S569 D576 I577 A622 E623 | S569-K571 PolarHBondContact O-N 3.48Å; K571-D576 WeakPolarHBondContact CD-OD1 3.43Å; K571-D576 IonicContact NZ-OD1 3.46Å; K571-D576 PolarHBondContact NZ-OD1 3.01Å; K571-D576 IonicContact NZ-OD2 2.8Å; K571-I577 WeakPolarHBondContact CA-O 3.38Å; K571-A622 CarbonylContact O-C 3.5Å; K571-A622 WeakPolarHBondContact O-CA 3.04Å; K571-E623 WeakPolarHBondContact O-CB 3.19Å; K571-E623 PolarHBondContact O-N 2.78Å |
| 572 | N | 89.1 | Confident | 88.2 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | trans | -91.5 | 118.3 | 163.2 | -179 | -31.4 | 0 | 0 | 0 | 109.7 | K574 N575 D576 I577 Y579 | N572-K574 PolarHBondContact O-N 3.2Å; N572-K574 PolarHBondContact OD1-N 3.15Å; N572-N575 WeakPolarHBondContact CB-OD1 3.46Å; N572-N575 VanDerWaalsContact CG-OD1 3.3Å; N572-N575 PolarHBondContact O-N 2.93Å; N572-D576 WeakPolarHBondContact O-CA 3.2Å; N572-D576 PolarHBondContact O-N 3.29Å; N572-I577 PolarHBondContact N-O 3Å; N572-Y579 HydrophobicContact CB-CE2 3.69Å; N572-Y579 WeakPolarHBondContact CB-OH 3.26Å; N572-Y579 PolarHBondContact ND2-OH 3.37Å | ||
| 573 | R | 85.4 | Confident | 88.4 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 21% | 0.211 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -31.5 | -177.4 | -169.4 | -173 | 61.6 | -162.3 | -20.9 | 114.2 | E590 E623 | R573-E590 IonicContact CZ-OE1 3.58Å; R573-E590 IonicContact CZ-OE2 3.75Å; R573-E590 IonicContact NE-OE2 3.51Å; R573-E590 IonicContact NH1-OE1 2.71Å; R573-E590 IonicContact NH2-OE1 2.73Å; R573-E590 PolarHBondContact NH2-OE1 3.33Å; R573-E590 IonicContact NH2-OE2 2.73Å; R573-E590 PolarHBondContact NH2-OE2 2.81Å; R573-E623 VanDerWaalsContact CA-OE2 3.26Å; R573-E623 WeakPolarHBondContact CA-OE2 3.49Å; R573-E623 HydrophobicContact CB-CB 4.16Å; R573-E623 HydrophobicContact CB-CG 3.91Å; R573-E623 WeakPolarHBondContact CB-OE2 3.49Å; R573-E623 HydrophobicContact CG-CG 4.23Å |
| 574 | K | 84 | Confident | 88.4 | Confident | 175 Ų | 175 | 61.1 Ų | 61.1 | 76% | 0.761 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -30.9 | -172.1 | -65.8 | -178 | -178.3 | 175.7 | 0 | 114.4 | N572 | N572-K574 PolarHBondContact O-N 3.2Å; N572-K574 PolarHBondContact OD1-N 3.15Å |
| 575 | N | 84.8 | Confident | 88.5 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | 3.4 | -172.3 | 62.4 | 8.9 | 0 | 0 | 0 | 113.6 | N572 I577 | N572-N575 WeakPolarHBondContact CB-OD1 3.46Å; N572-N575 VanDerWaalsContact CG-OD1 3.3Å; N572-N575 PolarHBondContact O-N 2.93Å; N575-I577 HydrophobicContact CB-CD1 4.47Å; N575-I577 HydrophobicContact CB-CG1 4.27Å; N575-I577 WeakPolarHBondContact ND2-CD1 3.39Å; N575-I577 PolarHBondContact O-N 3.24Å; N575-I577 VanDerWaalsContact O-N 3.07Å; N575-I577 WeakPolarHBondContact OD1-CG1 3.22Å; N575-I577 PolarHBondContact OD1-N 3.37Å |
| 576 | D | 79 | Confident | 88.7 | Confident | 102 Ų | 102 | 57.7 Ų | 57.7 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | trans | 56.4 | 22 | 177.9 | -155 | 23.3 | 0 | 0 | 0 | 113.9 | K571 N572 C578 | K571-D576 WeakPolarHBondContact CD-OD1 3.43Å; K571-D576 IonicContact NZ-OD1 3.46Å; K571-D576 PolarHBondContact NZ-OD1 3.01Å; K571-D576 IonicContact NZ-OD2 2.8Å; N572-D576 WeakPolarHBondContact O-CA 3.2Å; N572-D576 PolarHBondContact O-N 3.29Å; D576-C578 PolarHBondContact O-N 2.8Å | ||
| 577 | I | 87 | Confident | 88.9 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | trans | -71.1 | 126.1 | 174.5 | -63.8 | 179.5 | 0 | 0 | 0 | 108.5 | K571 N572 N575 Y579 | K571-I577 WeakPolarHBondContact CA-O 3.38Å; N572-I577 PolarHBondContact N-O 3Å; N575-I577 HydrophobicContact CB-CD1 4.47Å; N575-I577 HydrophobicContact CB-CG1 4.27Å; N575-I577 WeakPolarHBondContact ND2-CD1 3.39Å; N575-I577 PolarHBondContact O-N 3.24Å; N575-I577 VanDerWaalsContact O-N 3.07Å; N575-I577 WeakPolarHBondContact OD1-CG1 3.22Å; N575-I577 PolarHBondContact OD1-N 3.37Å; I577-Y579 HydrophobicContact CB-CE1 4.43Å; I577-Y579 HydrophobicContact CG2-CD1 4.16Å; I577-Y579 HydrophobicContact CG2-CE1 3.8Å | ||
| 578 | C | 86 | Confident | 89 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 57% | 0.574 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.3 | 173.4 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | F570 D576 | F570-C578 CarbonylContact O-C 3.49Å; F570-C578 VanDerWaalsContact O-CA 3.3Å; F570-C578 WeakPolarHBondContact O-CA 3.37Å; D576-C578 PolarHBondContact O-N 2.8Å |
| 579 | Y | 87.7 | Confident | 89.2 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 21% | 0.212 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149.3 | 180 | -61.4 | -46.4 | 0 | 0 | 0 | 110.9 | F570 N572 I577 L620 V621 | F570-Y579 PolarHBondContact O-N 3.41Å; N572-Y579 HydrophobicContact CB-CE2 3.69Å; N572-Y579 WeakPolarHBondContact CB-OH 3.26Å; N572-Y579 PolarHBondContact ND2-OH 3.37Å; I577-Y579 HydrophobicContact CB-CE1 4.43Å; I577-Y579 HydrophobicContact CG2-CD1 4.16Å; I577-Y579 HydrophobicContact CG2-CE1 3.8Å; Y579-L620 HydrophobicContact CD1-CD1 3.74Å; Y579-L620 HydrophobicContact CD1-CD2 4.21Å; Y579-L620 HydrophobicContact CD1-CG 4.49Å; Y579-L620 HydrophobicContact CD2-CB 4.31Å; Y579-L620 HydrophobicContact CD2-CD1 4.4Å; Y579-L620 HydrophobicContact CE1-CD1 4.43Å; Y579-L620 HydrophobicContact CE1-CD2 4.08Å; Y579-L620 HydrophobicContact CG-CB 4.45Å; Y579-L620 HydrophobicContact CG-CD1 3.72Å; Y579-L620 HydrophobicContact CG-CG 4.48Å; Y579-V621 WeakPolarHBondContact CE2-O 3.49Å |
| 580 | S | 87.6 | Confident | 89.3 | Confident | 87 Ų | 87 | 54.3 Ų | 54.3 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | trans | -114.5 | 155.2 | 169.6 | 56.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 581 | L | 88.4 | Confident | 89.4 | Confident | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.131 | 28% | 0.282 | C | S | . | . | trans | -66.7 | 143.6 | 173.2 | -71.8 | 175 | 0 | 0 | 0 | 110.7 | P558 L564 F570 I587 T633 | P558-L581 HydrophobicContact CG-CD1 3.86Å; L564-L581 HydrophobicContact CD2-CD1 3.28Å; L564-L581 HydrophobicContact CD2-CG 4.02Å; F570-L581 HydrophobicContact CE2-CD2 4.5Å; F570-L581 HydrophobicContact CE2-CG 4.23Å; L581-I587 HydrophobicContact CD2-CB 4.31Å; L581-I587 HydrophobicContact CD2-CD1 3.6Å; L581-I587 HydrophobicContact CD2-CG1 3.76Å; L581-I587 HydrophobicContact CG-CD1 4.26Å; L581-T633 HydrophobicContact CB-CG2 3.78Å | ||
| 582 | T | 89.2 | Confident | 89.6 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | trans | -134.9 | 156.7 | 176.3 | 65.9 | 0 | 0 | 0 | 0 | 109.7 | N584 | T582-N584 PolarHBondContact O-N 2.87Å; T582-N584 VanDerWaalsContact O-N 3.15Å | ||
| 583 | D | 90.3 | Very high | 89.8 | Confident | 66 Ų | 66 | 50.2 Ų | 50.2 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 4 | 178.8 | -65.4 | -14.8 | 0 | 0 | 0 | 113.3 | T633 N635 Y636 | D583-T633 WeakPolarHBondContact OD1-CB 3.48Å; D583-T633 VanDerWaalsContact OD1-CG2 3.29Å; D583-T633 WeakPolarHBondContact OD1-CG2 3.39Å; D583-T633 PolarHBondContact OD1-OG1 2.91Å; D583-N635 PolarHBondContact OD2-ND2 2.97Å; D583-Y636 VanDerWaalsContact O-CD2 3.26Å; D583-Y636 WeakPolarHBondContact O-CD2 3.27Å |
| 584 | N | 89.8 | Confident | 90.1 | Very high | 113 Ų | 113 | 52.4 Ų | 52.4 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 1.8 | -173.6 | -72.3 | -37.6 | 0 | 0 | 0 | 114.2 | T582 K617 | T582-N584 PolarHBondContact O-N 2.87Å; T582-N584 VanDerWaalsContact O-N 3.15Å; N584-K617 WeakPolarHBondContact O-CD 3.49Å; N584-K617 PolarHBondContact O-NZ 2.93Å |
| 585 | G | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 153.4 | -170.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K617 | G585-K617 CarbonylContact C-O 3.55Å; G585-K617 WeakPolarHBondContact CA-O 3.41Å |
| 586 | V | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 153.1 | -172.2 | -49.1 | 0 | 0 | 0 | 0 | 112.4 | I588 F604 V616 K617 A619 L620 I630 Y631 M632 Y636 | V586-I588 HydrophobicContact CG2-CG2 3.68Å; V586-F604 HydrophobicContact CG2-CE1 4.38Å; V586-V616 HydrophobicContact CG1-CB 4.05Å; V586-V616 HydrophobicContact CG1-CG1 4.41Å; V586-K617 WeakPolarHBondContact CG2-O 3.38Å; V586-K617 PolarHBondContact N-O 3.47Å; V586-A619 PolarHBondContact O-N 3.1Å; V586-L620 PolarHBondContact O-N 2.94Å; V586-I630 HydrophobicContact CB-CG2 3.86Å; V586-I630 HydrophobicContact CG1-CG2 3.94Å; V586-I630 HydrophobicContact CG2-CG2 4.28Å; V586-Y631 WeakPolarHBondContact CA-O 3.37Å; V586-M632 HydrophobicContact CG1-CB 4.11Å; V586-M632 HydrophobicContact CG1-CE 3.63Å; V586-Y636 HydrophobicContact CG1-CD1 4.02Å; V586-Y636 HydrophobicContact CG1-CE1 3.55Å |
| 587 | I | 95 | Very high | 91.2 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125 | 163.9 | -58.4 | -176.8 | 0 | 0 | 0 | 108.1 | F570 L581 L620 A622 I630 Y631 | F570-I587 HydrophobicContact CB-CD1 4.29Å; F570-I587 HydrophobicContact CD1-CG2 4.01Å; F570-I587 HydrophobicContact CD2-CD1 3.73Å; F570-I587 HydrophobicContact CE1-CG2 4.47Å; F570-I587 HydrophobicContact CE2-CD1 4.18Å; F570-I587 HydrophobicContact CG-CD1 3.91Å; F570-I587 HydrophobicContact CG-CG2 4.29Å; L581-I587 HydrophobicContact CD2-CB 4.31Å; L581-I587 HydrophobicContact CD2-CD1 3.6Å; L581-I587 HydrophobicContact CD2-CG1 3.76Å; L581-I587 HydrophobicContact CG-CD1 4.26Å; I587-L620 WeakPolarHBondContact CA-O 3.47Å; I587-L620 HydrophobicContact CG1-CB 4.24Å; I587-A622 HydrophobicContact CG2-CB 3.67Å; I587-I630 WeakPolarHBondContact O-CA 3.37Å; I587-Y631 PolarHBondContact N-O 3.02Å; I587-Y631 PolarHBondContact O-N 2.67Å |
| 588 | I | 95.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 162.4 | 173.4 | 65.6 | 175.1 | 0 | 0 | 0 | 111.2 | V586 L592 A593 L598 F604 V618 L620 V621 A622 I630 | V586-I588 HydrophobicContact CG2-CG2 3.68Å; I588-L592 HydrophobicContact CB-CD2 4.16Å; I588-L592 HydrophobicContact CG2-CD2 4.17Å; I588-A593 HydrophobicContact CD1-CB 3.74Å; I588-A593 HydrophobicContact CG1-CB 4.29Å; I588-L598 HydrophobicContact CD1-CB 4.22Å; I588-L598 HydrophobicContact CD1-CD1 3.76Å; I588-F604 HydrophobicContact CG2-CE1 4.14Å; I588-F604 HydrophobicContact CG2-CZ 4.11Å; I588-V618 HydrophobicContact CD1-CG1 3.89Å; I588-V618 HydrophobicContact CD1-CG2 3.74Å; I588-V618 HydrophobicContact CG1-CG1 3.94Å; I588-V618 HydrophobicContact CG1-CG2 4.45Å; I588-L620 PolarHBondContact N-O 2.87Å; I588-L620 VanDerWaalsContact N-O 3.07Å; I588-V621 HydrophobicContact CD1-CG2 4.43Å; I588-V621 HydrophobicContact CG1-CG2 4.07Å; I588-V621 CarbonylContact O-C 3.59Å; I588-V621 WeakPolarHBondContact O-CA 3.35Å; I588-A622 PolarHBondContact O-N 3.49Å; I588-I630 HydrophobicContact CG2-CG1 3.96Å |
| 589 | N | 94.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 151.7 | 173.2 | 62.9 | -54.3 | 0 | 0 | 0 | 113.8 | K591 L592 A593 A622 N624 G627 H628 F629 | N589-K591 VanDerWaalsContact C-N 3.27Å; N589-K591 PolarHBondContact O-N 3.28Å; N589-L592 PolarHBondContact O-N 2.76Å; N589-L592 VanDerWaalsContact O-N 3.11Å; N589-L592 WeakPolarHBondContact OD1-CB 3.35Å; N589-A593 PolarHBondContact O-N 2.98Å; N589-A622 CarbonylContact C-O 3.51Å; N589-A622 VanDerWaalsContact CA-O 3.3Å; N589-A622 WeakPolarHBondContact CA-O 3.44Å; N589-N624 HydrophobicContact CB-CB 3.7Å; N589-G627 PolarHBondContact ND2-O 3.04Å; N589-H628 PolarHBondContact ND2-ND1 2.8Å; N589-H628 WeakPolarHBondContact OD1-CA 3.38Å; N589-F629 PolarHBondContact OD1-N 3.29Å |
| 590 | E | 93.6 | Very high | 91.8 | Very high | 41 Ų | 41 | 49.6 Ų | 49.6 | 19% | 0.192 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.3 | -39.2 | -178 | -173.8 | 178.3 | 156.2 | 0 | 0 | 113.2 | R573 A593 K594 V621 A622 M783 | R573-E590 IonicContact CZ-OE1 3.58Å; R573-E590 IonicContact CZ-OE2 3.75Å; R573-E590 IonicContact NE-OE2 3.51Å; R573-E590 IonicContact NH1-OE1 2.71Å; R573-E590 IonicContact NH2-OE1 2.73Å; R573-E590 PolarHBondContact NH2-OE1 3.33Å; R573-E590 IonicContact NH2-OE2 2.73Å; R573-E590 PolarHBondContact NH2-OE2 2.81Å; E590-A593 PolarHBondContact O-N 3.38Å; E590-K594 WeakPolarHBondContact O-CB 3.38Å; E590-K594 PolarHBondContact O-N 3.4Å; E590-V621 VanDerWaalsContact CA-CG1 3.43Å; E590-V621 HydrophobicContact CB-CG1 4.01Å; E590-V621 HydrophobicContact CG-CG1 4.45Å; E590-A622 PolarHBondContact N-O 3.01Å; E590-M783 HydrophobicContact CB-CE 4.02Å; E590-M783 HydrophobicContact CB-SD 3.88Å; E590-M783 HydrophobicContact CG-CE 3.9Å; E590-M783 HydrophobicContact CG-SD 4.14Å; E590-M783 WeakPolarHBondContact OE2-CE 3.38Å |
| 591 | K | 92.7 | Very high | 92 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 178.3 | -172.7 | 61.2 | 175.2 | -174.9 | 0 | 112.5 | N589 A593 K594 L595 E778 L779 D780 T782 M783 | N589-K591 VanDerWaalsContact C-N 3.27Å; N589-K591 PolarHBondContact O-N 3.28Å; K591-A593 VanDerWaalsContact C-N 3.31Å; K591-A593 PolarHBondContact O-N 2.84Å; K591-K594 PolarHBondContact O-N 2.88Å; K591-L595 HydrophobicContact CD-CG 4.49Å; K591-L595 HydrophobicContact CG-CD1 4.33Å; K591-L595 WeakPolarHBondContact O-CG 3.29Å; K591-L595 PolarHBondContact O-N 2.92Å; K591-E778 IonicContact NZ-OE2 3.82Å; K591-L779 WeakPolarHBondContact CE-O 3.5Å; K591-L779 PolarHBondContact NZ-O 3.4Å; K591-D780 WeakPolarHBondContact CE-O 3.36Å; K591-D780 WeakPolarHBondContact CG-O 3.39Å; K591-T782 WeakPolarHBondContact CE-O 3.37Å; K591-M783 HydrophobicContact CB-CB 4.08Å; K591-M783 HydrophobicContact CB-SD 4.19Å; K591-M783 HydrophobicContact CD-CB 4.31Å; K591-M783 HydrophobicContact CG-CB 4.38Å |
| 592 | L | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 176.3 | -173.6 | 67.6 | 0 | 0 | 0 | 110.4 | I553 I588 N589 K594 L595 F596 F604 H628 | I553-L592 HydrophobicContact CD1-CD1 4.03Å; I553-L592 HydrophobicContact CD1-CD2 3.87Å; I553-L592 HydrophobicContact CG1-CD1 4.36Å; I553-L592 HydrophobicContact CG1-CD2 4.35Å; I588-L592 HydrophobicContact CB-CD2 4.16Å; I588-L592 HydrophobicContact CG2-CD2 4.17Å; N589-L592 PolarHBondContact O-N 2.76Å; N589-L592 VanDerWaalsContact O-N 3.11Å; N589-L592 WeakPolarHBondContact OD1-CB 3.35Å; L592-K594 VanDerWaalsContact C-N 3.33Å; L592-K594 PolarHBondContact O-N 3.25Å; L592-L595 PolarHBondContact O-N 3.35Å; L592-F596 HydrophobicContact CD1-CD2 3.65Å; L592-F596 HydrophobicContact CD1-CE2 3.5Å; L592-F596 HydrophobicContact CG-CD2 4.3Å; L592-F596 WeakPolarHBondContact O-CD2 3.4Å; L592-F596 PolarHBondContact O-N 3.3Å; L592-F596 VanDerWaalsContact O-N 3.16Å; L592-F604 HydrophobicContact CD2-CE2 4.32Å; L592-F604 HydrophobicContact CD2-CZ 4.21Å; L592-H628 HydrophobicContact CD1-CB 4.31Å; L592-H628 HydrophobicContact CD2-CB 4.47Å |
| 593 | A | 93.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I588 N589 E590 K591 D597 L598 V621 | I588-A593 HydrophobicContact CD1-CB 3.74Å; I588-A593 HydrophobicContact CG1-CB 4.29Å; N589-A593 PolarHBondContact O-N 2.98Å; E590-A593 PolarHBondContact O-N 3.38Å; K591-A593 VanDerWaalsContact C-N 3.31Å; K591-A593 PolarHBondContact O-N 2.84Å; A593-D597 CarbonylContact O-C 3.56Å; A593-D597 WeakPolarHBondContact O-CA 3.47Å; A593-D597 PolarHBondContact O-N 2.8Å; A593-L598 HydrophobicContact CB-CB 4.38Å; A593-L598 PolarHBondContact O-N 3.07Å; A593-V621 HydrophobicContact CB-CB 4.45Å; A593-V621 HydrophobicContact CB-CG1 3.72Å; A593-V621 HydrophobicContact CB-CG2 3.79Å |
| 594 | K | 91.1 | Very high | 92.6 | Very high | 101 Ų | 101 | 47.3 Ų | 47.3 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68 | -39.8 | 178.2 | -172.7 | -175.3 | 176.2 | -172.9 | 0 | 112.7 | E590 K591 L592 E778 | E590-K594 WeakPolarHBondContact O-CB 3.38Å; E590-K594 PolarHBondContact O-N 3.4Å; K591-K594 PolarHBondContact O-N 2.88Å; L592-K594 VanDerWaalsContact C-N 3.33Å; L592-K594 PolarHBondContact O-N 3.25Å; K594-E778 IonicContact NZ-OE2 2.8Å; K594-E778 PolarHBondContact NZ-OE2 2.79Å |
| 595 | L | 90 | Very high | 92.8 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 179.7 | -74.6 | 174.2 | 0 | 0 | 0 | 112.3 | V548 Q551 K591 L592 D780 | V548-L595 HydrophobicContact CG1-CB 4.37Å; V548-L595 WeakPolarHBondContact CG2-O 3.21Å; Q551-L595 HydrophobicContact CG-CD1 4.45Å; K591-L595 HydrophobicContact CD-CG 4.49Å; K591-L595 HydrophobicContact CG-CD1 4.33Å; K591-L595 WeakPolarHBondContact O-CG 3.29Å; K591-L595 PolarHBondContact O-N 2.92Å; L592-L595 PolarHBondContact O-N 3.35Å; L595-D780 HydrophobicContact CD1-CB 4.04Å |
| 596 | F | 91.9 | Very high | 92.9 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 11% | 0.114 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 12.2 | -177 | -70.8 | -98.4 | 0 | 0 | 0 | 113.4 | A543 T545 V548 Q551 L592 L598 | A543-F596 HydrophobicContact CB-CE1 3.92Å; A543-F596 HydrophobicContact CB-CE2 4.3Å; A543-F596 HydrophobicContact CB-CZ 3.6Å; T545-F596 HydrophobicContact CG2-CD1 3.46Å; T545-F596 VanDerWaalsContact CG2-CD1 3.46Å; T545-F596 HydrophobicContact CG2-CE1 3.65Å; T545-F596 HydrophobicContact CG2-CG 4.36Å; V548-F596 HydrophobicContact CG1-CE2 4.02Å; V548-F596 HydrophobicContact CG1-CZ 3.97Å; Q551-F596 HydrophobicContact CB-CE2 4.3Å; Q551-F596 HydrophobicContact CB-CZ 4.42Å; Q551-F596 HydrophobicContact CG-CE2 3.76Å; Q551-F596 HydrophobicContact CG-CZ 4.01Å; L592-F596 HydrophobicContact CD1-CD2 3.65Å; L592-F596 HydrophobicContact CD1-CE2 3.5Å; L592-F596 HydrophobicContact CG-CD2 4.3Å; L592-F596 WeakPolarHBondContact O-CD2 3.4Å; L592-F596 PolarHBondContact O-N 3.3Å; L592-F596 VanDerWaalsContact O-N 3.16Å; F596-L598 HydrophobicContact CB-CD1 3.75Å; F596-L598 HydrophobicContact CB-CD2 4.12Å; F596-L598 HydrophobicContact CB-CG 3.6Å; F596-L598 WeakPolarHBondContact O-CD2 3.47Å; F596-L598 PolarHBondContact O-N 3.45Å; F596-L598 VanDerWaalsContact O-N 3.14Å |
| 597 | D | 90 | Very high | 92.7 | Very high | 143 Ų | 143 | 51.6 Ų | 51.6 | 77% | 0.765 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 34 | -176.1 | -71.7 | -45.2 | 0 | 0 | 0 | 114.6 | A593 | A593-D597 CarbonylContact O-C 3.56Å; A593-D597 WeakPolarHBondContact O-CA 3.47Å; A593-D597 PolarHBondContact O-N 2.8Å |
| 598 | L | 92.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | trans | -82.7 | 140.6 | -176.4 | -52.4 | 173 | 0 | 0 | 0 | 111.5 | I588 A593 F596 F604 V618 | I588-L598 HydrophobicContact CD1-CB 4.22Å; I588-L598 HydrophobicContact CD1-CD1 3.76Å; A593-L598 HydrophobicContact CB-CB 4.38Å; A593-L598 PolarHBondContact O-N 3.07Å; F596-L598 HydrophobicContact CB-CD1 3.75Å; F596-L598 HydrophobicContact CB-CD2 4.12Å; F596-L598 HydrophobicContact CB-CG 3.6Å; F596-L598 WeakPolarHBondContact O-CD2 3.47Å; F596-L598 PolarHBondContact O-N 3.45Å; F596-L598 VanDerWaalsContact O-N 3.14Å; L598-F604 HydrophobicContact CD1-CB 4.05Å; L598-F604 HydrophobicContact CD1-CD1 3.67Å; L598-F604 HydrophobicContact CD1-CD2 4.17Å; L598-F604 HydrophobicContact CD1-CE1 4.08Å; L598-F604 HydrophobicContact CD1-CG 3.71Å; L598-F604 HydrophobicContact CD1-CZ 4.49Å; L598-F604 HydrophobicContact CD2-CB 3.83Å; L598-F604 HydrophobicContact CD2-CG 4.39Å; L598-V618 HydrophobicContact CB-CG2 4.32Å; L598-V618 HydrophobicContact CD1-CG2 4.14Å | ||
| 599 | K | 90.9 | Very high | 91.4 | Very high | 159 Ų | 159 | 59.4 Ų | 59.4 | 69% | 0.691 | 29% | 0.294 | S | S | * | . | trans | -125.7 | 172.3 | 173.5 | -66.4 | 176.9 | -175.3 | 172.5 | 0 | 109.6 | G601 S602 | K599-G601 PolarHBondContact O-N 2.86Å; K599-S602 PolarHBondContact N-OG 2.89Å; K599-S602 VanDerWaalsContact O-CB 3.23Å; K599-S602 WeakPolarHBondContact O-CB 3.41Å; K599-S602 PolarHBondContact O-N 3.08Å; K599-S602 PolarHBondContact O-OG 2.86Å | ||
| 600 | H | 90.3 | Very high | 90.4 | Very high | 143 Ų | 143 | 63.3 Ų | 63.3 | 66% | 0.662 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 124.3 | 169.6 | 172.4 | -71.4 | 0 | 0 | 0 | 110.3 | A619 | H600-A619 PolarHBondContact CD2-O 2.87Š|
| 601 | G | 90.7 | Very high | 89.6 | Confident | 28 Ų | 28 | 63 Ų | 63 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -7.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | K599 H603 V618 | K599-G601 PolarHBondContact O-N 2.86Å; G601-H603 PolarHBondContact O-ND1 3.49Å; G601-V618 WeakPolarHBondContact CA-O 3.23Å; G601-V618 PolarHBondContact N-O 3.48Å |
| 602 | S | 94.3 | Very high | 89.3 | Confident | 37 Ų | 37 | 68.8 Ų | 68.8 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | trans | -65.9 | 146.5 | 173.6 | -64.9 | 0 | 0 | 0 | 0 | 111 | K599 V618 | K599-S602 PolarHBondContact N-OG 2.89Å; K599-S602 VanDerWaalsContact O-CB 3.23Å; K599-S602 WeakPolarHBondContact O-CB 3.41Å; K599-S602 PolarHBondContact O-N 3.08Å; K599-S602 PolarHBondContact O-OG 2.86Å; S602-V618 PolarHBondContact O-N 2.72Å | ||
| 603 | H | 93.4 | Very high | 89.2 | Confident | 103 Ų | 103 | 74 Ų | 74 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 145.4 | 170.8 | -64 | 70.6 | 0 | 0 | 0 | 109.3 | G601 E615 V616 | G601-H603 PolarHBondContact O-ND1 3.49Å; H603-E615 HydrophobicContact CB-CG 3.93Å; H603-E615 VanDerWaalsContact CB-OE1 3.31Å; H603-E615 WeakPolarHBondContact CB-OE1 3.37Å; H603-V616 VanDerWaalsContact CA-O 3.31Å; H603-V616 WeakPolarHBondContact CA-O 3.19Å |
| 604 | F | 93.7 | Very high | 89.2 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 157.7 | 173.2 | 76.8 | -72.8 | 0 | 0 | 0 | 111.2 | A543 I553 V586 I588 L592 L598 I606 V616 V618 I630 | A543-F604 HydrophobicContact CB-CD2 4.49Å; A543-F604 HydrophobicContact CB-CE2 4.43Å; I553-F604 HydrophobicContact CD1-CE2 4.23Å; V586-F604 HydrophobicContact CG2-CE1 4.38Å; I588-F604 HydrophobicContact CG2-CE1 4.14Å; I588-F604 HydrophobicContact CG2-CZ 4.11Å; L592-F604 HydrophobicContact CD2-CE2 4.32Å; L592-F604 HydrophobicContact CD2-CZ 4.21Å; L598-F604 HydrophobicContact CD1-CB 4.05Å; L598-F604 HydrophobicContact CD1-CD1 3.67Å; L598-F604 HydrophobicContact CD1-CD2 4.17Å; L598-F604 HydrophobicContact CD1-CE1 4.08Å; L598-F604 HydrophobicContact CD1-CG 3.71Å; L598-F604 HydrophobicContact CD1-CZ 4.49Å; L598-F604 HydrophobicContact CD2-CB 3.83Å; L598-F604 HydrophobicContact CD2-CG 4.39Å; F604-I606 HydrophobicContact CD2-CG2 4.02Å; F604-I606 HydrophobicContact CE2-CG2 3.42Å; F604-I606 VanDerWaalsContact CE2-CG2 3.42Å; F604-I606 HydrophobicContact CZ-CG2 3.94Å; F604-V616 HydrophobicContact CD1-CG2 3.76Å; F604-V616 HydrophobicContact CE1-CG2 3.38Å; F604-V616 HydrophobicContact CE2-CG2 4.35Å; F604-V616 HydrophobicContact CG-CG2 4.39Å; F604-V616 HydrophobicContact CZ-CG2 3.72Å; F604-V616 PolarHBondContact N-O 3.27Å; F604-V616 PolarHBondContact O-N 3.07Å; F604-V618 HydrophobicContact CD1-CG2 3.75Å; F604-V618 HydrophobicContact CE1-CG2 3.72Å; F604-I630 HydrophobicContact CE2-CD1 4.32Å; F604-I630 HydrophobicContact CZ-CD1 3.74Å; F604-I630 HydrophobicContact CZ-CG1 4.34Å |
| 605 | K | 93.7 | Very high | 89.3 | Confident | 125 Ų | 125 | 76.3 Ų | 76.3 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131 | -175.9 | -64.4 | -176 | -179.7 | -176.1 | 0 | 111.4 | Y614 | K605-Y614 CarbonylContact C-O 3.52Å; K605-Y614 VanDerWaalsContact CA-O 3.31Å; K605-Y614 WeakPolarHBondContact CA-O 3.43Å |
| 606 | I | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.6 | 171 | 61.2 | 174 | 0 | 0 | 0 | 109.9 | F541 I553 L555 F604 E613 Y614 V616 I630 F641 | F541-I606 HydrophobicContact CB-CB 4.36Å; F541-I606 HydrophobicContact CD1-CB 4.24Å; F541-I606 HydrophobicContact CD1-CD1 3.98Å; F541-I606 HydrophobicContact CD1-CG1 4.11Å; F541-I606 HydrophobicContact CE1-CD1 4.35Å; F541-I606 HydrophobicContact CG-CD1 4.29Å; I553-I606 HydrophobicContact CD1-CG2 4.33Å; L555-I606 HydrophobicContact CD1-CD1 4.05Å; F604-I606 HydrophobicContact CD2-CG2 4.02Å; F604-I606 HydrophobicContact CE2-CG2 3.42Å; F604-I606 VanDerWaalsContact CE2-CG2 3.42Å; F604-I606 HydrophobicContact CZ-CG2 3.94Å; I606-E613 CarbonylContact O-C 3.54Å; I606-E613 WeakPolarHBondContact O-CA 3.04Å; I606-Y614 PolarHBondContact N-O 3.12Å; I606-Y614 PolarHBondContact O-N 3.11Å; I606-V616 HydrophobicContact CD1-CG1 3.7Å; I606-V616 HydrophobicContact CD1-CG2 4.27Å; I606-V616 HydrophobicContact CG1-CG1 4.19Å; I606-V616 HydrophobicContact CG1-CG2 4.38Å; I606-V616 HydrophobicContact CG2-CG2 4.08Å; I606-I630 HydrophobicContact CD1-CD1 4.33Å; I606-I630 HydrophobicContact CG2-CD1 3.79Å; I606-F641 HydrophobicContact CD1-CZ 4.07Å |
| 607 | K | 91.1 | Very high | 89.7 | Confident | 79 Ų | 79 | 76.9 Ų | 76.9 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.3 | -175.3 | -170.7 | 171.4 | -166.6 | 134.8 | 0 | 110.6 | F541 T542 G611 K612 E613 | F541-K607 CarbonylContact C-O 3.54Å; F541-K607 WeakPolarHBondContact CA-O 3.47Å; T542-K607 PolarHBondContact N-O 2.89Å; T542-K607 WeakPolarHBondContact O-CB 3.28Å; T542-K607 PolarHBondContact O-N 2.81Å; T542-K607 PolarHBondContact OG1-O 3.23Å; K607-G611 WeakPolarHBondContact CE-O 3.47Å; K607-K612 CarbonylContact C-O 3.48Å; K607-K612 WeakPolarHBondContact CA-O 3.3Å; K607-E613 HydrophobicContact CB-CG 4.12Å; K607-E613 HydrophobicContact CD-CG 4.11Å; K607-E613 HydrophobicContact CG-CG 3.93Å; K607-E613 IonicContact NZ-OE1 2.74Å; K607-E613 PolarHBondContact NZ-OE1 3.32Å |
| 608 | S | 86.9 | Confident | 90 | Very high | 23 Ų | 23 | 70.1 Ų | 70.1 | 16% | 0.161 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 160.4 | 174.1 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | S610 G611 K612 | S608-S610 PolarHBondContact O-N 2.8Å; S608-S610 PolarHBondContact OG-N 2.96Å; S608-S610 PolarHBondContact OG-OG 2.95Å; S608-S610 VanDerWaalsContact OG-OG 3.1Å; S608-G611 WeakPolarHBondContact O-CA 3.35Å; S608-G611 PolarHBondContact O-N 2.9Å; S608-K612 PolarHBondContact N-O 3.2Å |
| 609 | I | 76.6 | Confident | 90 | Very high | 147 Ų | 147 | 69.6 Ų | 69.6 | 75% | 0.754 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32.2 | 170.4 | -59.8 | 168.6 | 0 | 0 | 0 | 111.6 | G611 | I609-G611 PolarHBondContact O-N 3.17Š|
| 610 | S | 73.5 | Confident | 90.2 | Very high | 86 Ų | 86 | 63.9 Ų | 63.9 | 60% | 0.601 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10 | 175.3 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | S608 | S608-S610 PolarHBondContact O-N 2.8Å; S608-S610 PolarHBondContact OG-N 2.96Å; S608-S610 PolarHBondContact OG-OG 2.95Å; S608-S610 VanDerWaalsContact OG-OG 3.1Å |
| 611 | G | 76.6 | Confident | 90.3 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 87.5 | -2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K607 S608 I609 | K607-G611 WeakPolarHBondContact CE-O 3.47Å; S608-G611 WeakPolarHBondContact O-CA 3.35Å; S608-G611 PolarHBondContact O-N 2.9Å; I609-G611 PolarHBondContact O-N 3.17Å |
| 612 | K | 86.8 | Confident | 90.5 | Very high | 134 Ų | 134 | 57.8 Ų | 57.8 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | trans | -70.1 | 137.9 | 172.3 | -69 | -173.3 | 178.4 | -176 | 0 | 111.1 | K607 S608 Y614 | K607-K612 CarbonylContact C-O 3.48Å; K607-K612 WeakPolarHBondContact CA-O 3.3Å; S608-K612 PolarHBondContact N-O 3.2Å; K612-Y614 HydrophobicContact CB-CE2 3.7Å | ||
| 613 | E | 91 | Very high | 90.4 | Very high | 109 Ų | 109 | 57.2 Ų | 57.2 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 138.7 | 179.4 | -69.5 | 176.1 | -165.9 | 0 | 0 | 110.3 | I606 K607 | I606-E613 CarbonylContact O-C 3.54Å; I606-E613 WeakPolarHBondContact O-CA 3.04Å; K607-E613 HydrophobicContact CB-CG 4.12Å; K607-E613 HydrophobicContact CD-CG 4.11Å; K607-E613 HydrophobicContact CG-CG 3.93Å; K607-E613 IonicContact NZ-OE1 2.74Å; K607-E613 PolarHBondContact NZ-OE1 3.32Å |
| 614 | Y | 93.6 | Very high | 90.4 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.8 | -179.3 | -59.9 | -89 | 0 | 0 | 0 | 108.8 | F541 K605 I606 K612 I640 F641 | F541-Y614 HydrophobicContact CE1-CD2 4.14Å; F541-Y614 HydrophobicContact CE1-CE2 4.38Å; K605-Y614 CarbonylContact C-O 3.52Å; K605-Y614 VanDerWaalsContact CA-O 3.31Å; K605-Y614 WeakPolarHBondContact CA-O 3.43Å; I606-Y614 PolarHBondContact N-O 3.12Å; I606-Y614 PolarHBondContact O-N 3.11Å; K612-Y614 HydrophobicContact CB-CE2 3.7Å; Y614-I640 HydrophobicContact CD1-CG2 4.14Å; Y614-I640 WeakPolarHBondContact CD1-O 3.32Å; Y614-I640 HydrophobicContact CG-CG2 4.43Å; Y614-F641 AromaticContact CD1-CD1 3.68Å; Y614-F641 HydrophobicContact CD1-CD1 3.68Å; Y614-F641 AromaticContact CD1-CE1 3.8Å; Y614-F641 HydrophobicContact CD1-CE1 3.8Å; Y614-F641 HydrophobicContact CD2-CD1 4Å; Y614-F641 AromaticContact CD2-CE1 3.48Å; Y614-F641 HydrophobicContact CD2-CE1 3.48Å; Y614-F641 VanDerWaalsContact CD2-CE1 3.48Å; Y614-F641 AromaticContact CE1-CD1 3.51Å; Y614-F641 HydrophobicContact CE1-CD1 3.51Å; Y614-F641 HydrophobicContact CE1-CE1 4Å; Y614-F641 HydrophobicContact CE1-CG 4.43Å; Y614-F641 AromaticContact CE2-CD1 3.84Å; Y614-F641 HydrophobicContact CE2-CD1 3.84Å; Y614-F641 AromaticContact CE2-CE1 3.69Å; Y614-F641 HydrophobicContact CE2-CE1 3.69Å; Y614-F641 AromaticContact CG-CD1 3.92Å; Y614-F641 HydrophobicContact CG-CD1 3.92Å; Y614-F641 AromaticContact CG-CE1 3.53Å; Y614-F641 HydrophobicContact CG-CE1 3.53Å; Y614-F641 HydrophobicContact CG-CZ 4.38Å; Y614-F641 AromaticContact CZ-CD1 3.58Å; Y614-F641 AromaticContact CZ-CE1 3.94Å |
| 615 | E | 93.7 | Very high | 90.3 | Very high | 110 Ų | 110 | 52.3 Ų | 52.3 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.6 | 177 | -173.1 | 165.8 | -165.6 | 0 | 0 | 109.3 | H603 | H603-E615 HydrophobicContact CB-CG 3.93Å; H603-E615 VanDerWaalsContact CB-OE1 3.31Å; H603-E615 WeakPolarHBondContact CB-OE1 3.37Å |
| 616 | V | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143 | -179 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | V586 H603 F604 I606 I640 | V586-V616 HydrophobicContact CG1-CB 4.05Å; V586-V616 HydrophobicContact CG1-CG1 4.41Å; H603-V616 VanDerWaalsContact CA-O 3.31Å; H603-V616 WeakPolarHBondContact CA-O 3.19Å; F604-V616 HydrophobicContact CD1-CG2 3.76Å; F604-V616 HydrophobicContact CE1-CG2 3.38Å; F604-V616 HydrophobicContact CE2-CG2 4.35Å; F604-V616 HydrophobicContact CG-CG2 4.39Å; F604-V616 HydrophobicContact CZ-CG2 3.72Å; F604-V616 PolarHBondContact N-O 3.27Å; F604-V616 PolarHBondContact O-N 3.07Å; I606-V616 HydrophobicContact CD1-CG1 3.7Å; I606-V616 HydrophobicContact CD1-CG2 4.27Å; I606-V616 HydrophobicContact CG1-CG1 4.19Å; I606-V616 HydrophobicContact CG1-CG2 4.38Å; I606-V616 HydrophobicContact CG2-CG2 4.08Å; V616-I640 HydrophobicContact CG1-CG2 4.2Å |
| 617 | K | 96.3 | Very high | 89.8 | Confident | 72 Ų | 72 | 49 Ų | 49 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.3 | 178.1 | -177.1 | 177.3 | 166.2 | -161.7 | 0 | 110.3 | N584 G585 V586 A619 Y636 | N584-K617 WeakPolarHBondContact O-CD 3.49Å; N584-K617 PolarHBondContact O-NZ 2.93Å; G585-K617 CarbonylContact C-O 3.55Å; G585-K617 WeakPolarHBondContact CA-O 3.41Å; V586-K617 WeakPolarHBondContact CG2-O 3.38Å; V586-K617 PolarHBondContact N-O 3.47Å; K617-A619 PolarHBondContact O-N 2.81Å; K617-Y636 PolarHBondContact N-OH 3.14Å |
| 618 | V | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 109.6 | 174 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | I588 L598 G601 S602 F604 V621 | I588-V618 HydrophobicContact CD1-CG1 3.89Å; I588-V618 HydrophobicContact CD1-CG2 3.74Å; I588-V618 HydrophobicContact CG1-CG1 3.94Å; I588-V618 HydrophobicContact CG1-CG2 4.45Å; L598-V618 HydrophobicContact CB-CG2 4.32Å; L598-V618 HydrophobicContact CD1-CG2 4.14Å; G601-V618 WeakPolarHBondContact CA-O 3.23Å; G601-V618 PolarHBondContact N-O 3.48Å; S602-V618 PolarHBondContact O-N 2.72Å; F604-V618 HydrophobicContact CD1-CG2 3.75Å; F604-V618 HydrophobicContact CE1-CG2 3.72Å; V618-V621 HydrophobicContact CG1-CG2 4.07Å |
| 619 | A | 93.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -55.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V586 H600 K617 | V586-A619 PolarHBondContact O-N 3.1Å; H600-A619 PolarHBondContact CD2-O 2.87Å; K617-A619 PolarHBondContact O-N 2.81Å |
| 620 | L | 93 | Very high | 91.1 | Very high | 39 Ų | 39 | 38.5 Ų | 38.5 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 158.9 | -174.9 | -63.7 | 164.9 | 0 | 0 | 0 | 111.5 | Y579 V586 I587 I588 | Y579-L620 HydrophobicContact CD1-CD1 3.74Å; Y579-L620 HydrophobicContact CD1-CD2 4.21Å; Y579-L620 HydrophobicContact CD1-CG 4.49Å; Y579-L620 HydrophobicContact CD2-CB 4.31Å; Y579-L620 HydrophobicContact CD2-CD1 4.4Å; Y579-L620 HydrophobicContact CE1-CD1 4.43Å; Y579-L620 HydrophobicContact CE1-CD2 4.08Å; Y579-L620 HydrophobicContact CG-CB 4.45Å; Y579-L620 HydrophobicContact CG-CD1 3.72Å; Y579-L620 HydrophobicContact CG-CG 4.48Å; V586-L620 PolarHBondContact O-N 2.94Å; I587-L620 WeakPolarHBondContact CA-O 3.47Å; I587-L620 HydrophobicContact CG1-CB 4.24Å; I588-L620 PolarHBondContact N-O 2.87Å; I588-L620 VanDerWaalsContact N-O 3.07Å |
| 621 | V | 93.6 | Very high | 92.2 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.4 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | Y579 I588 E590 A593 V618 | Y579-V621 WeakPolarHBondContact CE2-O 3.49Å; I588-V621 HydrophobicContact CD1-CG2 4.43Å; I588-V621 HydrophobicContact CG1-CG2 4.07Å; I588-V621 CarbonylContact O-C 3.59Å; I588-V621 WeakPolarHBondContact O-CA 3.35Å; E590-V621 VanDerWaalsContact CA-CG1 3.43Å; E590-V621 HydrophobicContact CB-CG1 4.01Å; E590-V621 HydrophobicContact CG-CG1 4.45Å; A593-V621 HydrophobicContact CB-CB 4.45Å; A593-V621 HydrophobicContact CB-CG1 3.72Å; A593-V621 HydrophobicContact CB-CG2 3.79Å; V618-V621 HydrophobicContact CG1-CG2 4.07Å |
| 622 | A | 94.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 5% | 0.05 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 156.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F570 K571 I587 I588 N589 E590 | F570-A622 HydrophobicContact CB-CB 4.07Å; F570-A622 HydrophobicContact CD1-CB 4.15Å; K571-A622 CarbonylContact O-C 3.5Å; K571-A622 WeakPolarHBondContact O-CA 3.04Å; I587-A622 HydrophobicContact CG2-CB 3.67Å; I588-A622 PolarHBondContact O-N 3.49Å; N589-A622 CarbonylContact C-O 3.51Å; N589-A622 VanDerWaalsContact CA-O 3.3Å; N589-A622 WeakPolarHBondContact CA-O 3.44Å; E590-A622 PolarHBondContact N-O 3.01Å |
| 623 | E | 93.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | trans | -69.5 | 125.9 | 173.7 | -173.3 | -178.8 | 174.7 | 0 | 0 | 110.3 | L499 K571 R573 Y625 | L499-E623 HydrophobicContact CD1-CG 4.19Å; L499-E623 WeakPolarHBondContact CD1-O 3.3Å; L499-E623 HydrophobicContact CD2-CB 4.3Å; L499-E623 HydrophobicContact CD2-CG 4.47Å; K571-E623 WeakPolarHBondContact O-CB 3.19Å; K571-E623 PolarHBondContact O-N 2.78Å; R573-E623 VanDerWaalsContact CA-OE2 3.26Å; R573-E623 WeakPolarHBondContact CA-OE2 3.49Å; R573-E623 HydrophobicContact CB-CB 4.16Å; R573-E623 HydrophobicContact CB-CG 3.91Å; R573-E623 WeakPolarHBondContact CB-OE2 3.49Å; R573-E623 HydrophobicContact CG-CG 4.23Å; E623-Y625 HydrophobicContact CG-CE2 3.68Å; E623-Y625 WeakPolarHBondContact OE1-CE2 3.36Å; E623-Y625 PolarHBondContact OE1-OH 3.12Å | ||
| 624 | N | 92.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 6% | 0.059 | 12% | 0.12 | C | C | . | . | trans | -164.1 | 134.9 | 171.2 | 179.6 | 89 | 0 | 0 | 0 | 109.2 | Q495 N589 V626 G627 F629 | Q495-N624 PolarHBondContact NE2-OD1 3.39Å; Q495-N624 PolarHBondContact OE1-OD1 3.07Å; N589-N624 HydrophobicContact CB-CB 3.7Å; N624-V626 PolarHBondContact ND2-N 2.96Å; N624-V626 PolarHBondContact ND2-O 3.45Å; N624-G627 PolarHBondContact ND2-O 3.04Å; N624-F629 WeakPolarHBondContact ND2-CD2 3.3Å; N624-F629 WeakPolarHBondContact ND2-CE2 3.34Å | ||
| 625 | Y | 91 | Very high | 93.7 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | trans | -100.3 | -26 | -166.7 | -67.2 | -86.2 | 0 | 0 | 0 | 114 | I491 L494 L499 E623 T782 M783 | I491-Y625 HydrophobicContact CG1-CD1 4.14Å; I491-Y625 HydrophobicContact CG1-CG 4.4Å; L494-Y625 HydrophobicContact CB-CD2 3.9Å; L494-Y625 HydrophobicContact CB-CE2 3.53Å; L494-Y625 HydrophobicContact CD1-CE1 4.19Å; L494-Y625 HydrophobicContact CD1-CE2 3.81Å; L494-Y625 WeakPolarHBondContact CD1-OH 3.27Å; L494-Y625 HydrophobicContact CG-CE2 4.27Å; L499-Y625 HydrophobicContact CD1-CD2 3.86Å; L499-Y625 HydrophobicContact CD1-CE2 4Å; E623-Y625 HydrophobicContact CG-CE2 3.68Å; E623-Y625 WeakPolarHBondContact OE1-CE2 3.36Å; E623-Y625 PolarHBondContact OE1-OH 3.12Å; Y625-T782 CarbonylContact O-C 3.49Å; Y625-T782 WeakPolarHBondContact O-CA 3.44Å; Y625-M783 VanDerWaalsContact CD1-O 3.32Å; Y625-M783 WeakPolarHBondContact CD1-O 3.44Å; Y625-M783 PolarHBondContact O-N 3.46Å | ||
| 626 | V | 89.1 | Confident | 93.8 | Very high | 43 Ų | 43 | 20.9 Ų | 20.9 | 26% | 0.261 | 11% | 0.113 | S | C | . | . | B | Isolated β-bridge | trans | -123.9 | 126.7 | -173.7 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | I491 Q495 N624 F629 L689 | I491-V626 HydrophobicContact CG2-CG2 4.03Å; Q495-V626 HydrophobicContact CG-CB 4.46Å; Q495-V626 HydrophobicContact CG-CG2 4.12Å; N624-V626 PolarHBondContact ND2-N 2.96Å; N624-V626 PolarHBondContact ND2-O 3.45Å; V626-F629 WeakPolarHBondContact O-CE2 3.47Å; V626-L689 HydrophobicContact CG2-CD1 3.54Å |
| 627 | G | 88.7 | Confident | 93.8 | Very high | 12 Ų | 12 | 20.9 Ų | 20.9 | 12% | 0.124 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 72.6 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N589 N624 M781 | N589-G627 PolarHBondContact ND2-O 3.04Å; N624-G627 PolarHBondContact ND2-O 3.04Å; G627-M781 WeakPolarHBondContact CA-O 3.17Å; G627-M781 PolarHBondContact N-O 2.92Å |
| 628 | H | 93.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | trans | -115.1 | 133.6 | 173.3 | -59.6 | -51.4 | 0 | 0 | 0 | 110.9 | I553 S554 N589 L592 D780 M781 | I553-H628 WeakPolarHBondContact CA-O 3.39Å; I553-H628 HydrophobicContact CB-CB 4.44Å; I553-H628 HydrophobicContact CG1-CB 3.98Å; I553-H628 HydrophobicContact CG2-CB 4.46Å; S554-H628 PolarHBondContact N-O 2.87Å; N589-H628 PolarHBondContact ND2-ND1 2.8Å; N589-H628 WeakPolarHBondContact OD1-CA 3.38Å; L592-H628 HydrophobicContact CD1-CB 4.31Å; L592-H628 HydrophobicContact CD2-CB 4.47Å; H628-D780 PolarHBondContact CE1-O 3.44Å; H628-D780 VanDerWaalsContact CE1-O 3.22Å; H628-D780 PolarHBondContact NE2-O 2.92Å; H628-M781 PolarHBondContact CD2-SD 3.09Å | ||
| 629 | F | 93.3 | Very high | 93.5 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 12% | 0.118 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.3 | -178.1 | -58 | -76 | 0 | 0 | 0 | 110.8 | W500 S554 N589 N624 V626 Y631 | W500-F629 HydrophobicContact CH2-CE1 4.46Å; W500-F629 HydrophobicContact CH2-CE2 4.16Å; W500-F629 AromaticContact CH2-CZ 3.69Å; W500-F629 HydrophobicContact CH2-CZ 3.69Å; W500-F629 HydrophobicContact CZ2-CD2 4.41Å; W500-F629 HydrophobicContact CZ2-CE1 4.16Å; W500-F629 AromaticContact CZ2-CE2 3.53Å; W500-F629 HydrophobicContact CZ2-CE2 3.53Å; W500-F629 AromaticContact CZ2-CZ 3.43Å; W500-F629 HydrophobicContact CZ2-CZ 3.43Å; W500-F629 VanDerWaalsContact CZ2-CZ 3.43Å; S554-F629 VanDerWaalsContact O-CA 3.29Å; S554-F629 WeakPolarHBondContact O-CA 3.4Å; N589-F629 PolarHBondContact OD1-N 3.29Å; N624-F629 WeakPolarHBondContact ND2-CD2 3.3Å; N624-F629 WeakPolarHBondContact ND2-CE2 3.34Å; V626-F629 WeakPolarHBondContact O-CE2 3.47Å; F629-Y631 HydrophobicContact CB-CD2 4.14Å; F629-Y631 HydrophobicContact CB-CE2 3.51Å; F629-Y631 HydrophobicContact CG-CE2 4.2Å |
| 630 | I | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.1 | 167.1 | -74 | 171.8 | 0 | 0 | 0 | 106.7 | I553 S554 L555 S556 V586 I587 I588 F604 I606 M632 | I553-I630 HydrophobicContact CD1-CD1 4.3Å; I553-I630 HydrophobicContact CG2-CB 4.13Å; I553-I630 HydrophobicContact CG2-CD1 3.57Å; I553-I630 HydrophobicContact CG2-CG1 3.54Å; S554-I630 PolarHBondContact O-N 2.71Å; L555-I630 CarbonylContact C-O 3.56Å; L555-I630 WeakPolarHBondContact CA-O 3.47Å; L555-I630 HydrophobicContact CB-CB 4.42Å; L555-I630 HydrophobicContact CD1-CG2 4.24Å; L555-I630 HydrophobicContact CG-CB 4.35Å; L555-I630 HydrophobicContact CG-CG2 4.06Å; S556-I630 PolarHBondContact N-O 2.87Å; V586-I630 HydrophobicContact CB-CG2 3.86Å; V586-I630 HydrophobicContact CG1-CG2 3.94Å; V586-I630 HydrophobicContact CG2-CG2 4.28Å; I587-I630 WeakPolarHBondContact O-CA 3.37Å; I588-I630 HydrophobicContact CG2-CG1 3.96Å; F604-I630 HydrophobicContact CE2-CD1 4.32Å; F604-I630 HydrophobicContact CZ-CD1 3.74Å; F604-I630 HydrophobicContact CZ-CG1 4.34Å; I606-I630 HydrophobicContact CD1-CD1 4.33Å; I606-I630 HydrophobicContact CG2-CD1 3.79Å; I630-M632 HydrophobicContact CG2-CE 3.41Å; I630-M632 VanDerWaalsContact CG2-CE 3.41Å |
| 631 | Y | 95.4 | Very high | 93.5 | Very high | 18 Ų | 18 | 27.8 Ų | 27.8 | 7% | 0.071 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.8 | 170.1 | -61.7 | -88.9 | 0 | 0 | 0 | 109.8 | S556 L568 F570 V586 I587 F629 | S556-Y631 WeakPolarHBondContact O-CA 3.23Å; L568-Y631 HydrophobicContact CD1-CD1 4.38Å; L568-Y631 HydrophobicContact CD1-CE1 3.47Å; L568-Y631 VanDerWaalsContact CD1-CE1 3.47Å; F570-Y631 HydrophobicContact CD1-CD2 4.46Å; F570-Y631 HydrophobicContact CE1-CD1 4.29Å; F570-Y631 AromaticContact CE1-CD2 3.37Å; F570-Y631 HydrophobicContact CE1-CD2 3.37Å; F570-Y631 HydrophobicContact CE1-CE1 4.49Å; F570-Y631 AromaticContact CE1-CE2 3.6Å; F570-Y631 HydrophobicContact CE1-CE2 3.6Å; F570-Y631 AromaticContact CE1-CG 3.74Å; F570-Y631 HydrophobicContact CE1-CG 3.74Å; F570-Y631 AromaticContact CZ-CD1 3.84Å; F570-Y631 HydrophobicContact CZ-CD1 3.84Å; F570-Y631 AromaticContact CZ-CD2 3.7Å; F570-Y631 HydrophobicContact CZ-CD2 3.7Å; F570-Y631 HydrophobicContact CZ-CE1 4.28Å; F570-Y631 HydrophobicContact CZ-CE2 4.13Å; F570-Y631 AromaticContact CZ-CG 3.53Å; F570-Y631 HydrophobicContact CZ-CG 3.53Å; V586-Y631 WeakPolarHBondContact CA-O 3.37Å; I587-Y631 PolarHBondContact N-O 3.02Å; I587-Y631 PolarHBondContact O-N 2.67Å; F629-Y631 HydrophobicContact CB-CD2 4.14Å; F629-Y631 HydrophobicContact CB-CE2 3.51Å; F629-Y631 HydrophobicContact CG-CE2 4.2Å |
| 632 | M | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -146.2 | 163.3 | 176.8 | 65.8 | -178 | 71.7 | 0 | 0 | 111.1 | L555 S556 V557 P558 V586 I630 Y636 Y637 F641 | L555-M632 HydrophobicContact CD1-CE 3.42Å; L555-M632 VanDerWaalsContact CD1-CE 3.42Å; L555-M632 HydrophobicContact CD1-SD 4.37Å; L555-M632 HydrophobicContact CD2-CE 4.26Å; L555-M632 HydrophobicContact CD2-SD 4.45Å; L555-M632 HydrophobicContact CG-CE 3.84Å; S556-M632 PolarHBondContact O-N 3.33Å; V557-M632 HydrophobicContact CG2-CG 3.78Å; P558-M632 WeakPolarHBondContact CD-O 3.5Å; V586-M632 HydrophobicContact CG1-CB 4.11Å; V586-M632 HydrophobicContact CG1-CE 3.63Å; I630-M632 HydrophobicContact CG2-CE 3.41Å; I630-M632 VanDerWaalsContact CG2-CE 3.41Å; M632-Y636 HydrophobicContact CB-CD1 3.97Å; M632-Y636 HydrophobicContact SD-CD1 3.98Å; M632-Y637 HydrophobicContact SD-CD2 3.91Å; M632-Y637 HydrophobicContact SD-CG 4.36Å; M632-F641 HydrophobicContact CE-CE2 4.44Å; M632-F641 HydrophobicContact SD-CE2 4.2Å | ||
| 633 | T | 95.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | trans | -78.8 | 157.5 | 176.2 | 61.4 | 0 | 0 | 0 | 0 | 111.4 | T561 L581 D583 N635 Y636 Y637 | T561-T633 HydrophobicContact CG2-CG2 3.89Å; L581-T633 HydrophobicContact CB-CG2 3.78Å; D583-T633 WeakPolarHBondContact OD1-CB 3.48Å; D583-T633 VanDerWaalsContact OD1-CG2 3.29Å; D583-T633 WeakPolarHBondContact OD1-CG2 3.39Å; D583-T633 PolarHBondContact OD1-OG1 2.91Å; T633-N635 PolarHBondContact O-N 3.21Å; T633-Y636 PolarHBondContact O-N 3.14Å; T633-Y636 WeakPolarHBondContact OG1-CB 3.4Å; T633-Y636 PolarHBondContact OG1-N 2.93Å; T633-Y637 PolarHBondContact O-N 2.88Å | ||
| 634 | P | 95 | Very high | 93 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 16% | 0.156 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.1 | -40.7 | 172.3 | -27.7 | 35.3 | 0 | 0 | 0 | 113.3 | V557 P558 Y637 Q638 P645 | V557-P634 HydrophobicContact CG1-CB 4.3Å; V557-P634 HydrophobicContact CG1-CG 3.92Å; P558-P634 WeakPolarHBondContact O-CG 3.34Å; P634-Y637 PolarHBondContact O-N 2.93Å; P634-Q638 PolarHBondContact O-N 2.84Å; P634-P645 HydrophobicContact CB-CG 4.22Å |
| 635 | N | 94.7 | Very high | 92.9 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 47% | 0.471 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.3 | -48 | 178.1 | -66.9 | -12.8 | 0 | 0 | 0 | 111.7 | D583 T633 Y637 Q638 Q639 | D583-N635 PolarHBondContact OD2-ND2 2.97Å; T633-N635 PolarHBondContact O-N 3.21Å; N635-Y637 VanDerWaalsContact C-N 3.34Å; N635-Q638 PolarHBondContact O-N 2.97Å; N635-Q639 VanDerWaalsContact O-CG 3.29Å; N635-Q639 WeakPolarHBondContact O-CG 3.49Å; N635-Q639 PolarHBondContact O-N 2.96Å; N635-Q639 VanDerWaalsContact O-N 3.09Å |
| 636 | Y | 94.7 | Very high | 92.9 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -36.2 | 179.2 | -170.6 | -106.1 | 0 | 0 | 0 | 111.9 | D583 V586 K617 M632 T633 Q639 I640 | D583-Y636 VanDerWaalsContact O-CD2 3.26Å; D583-Y636 WeakPolarHBondContact O-CD2 3.27Å; V586-Y636 HydrophobicContact CG1-CD1 4.02Å; V586-Y636 HydrophobicContact CG1-CE1 3.55Å; K617-Y636 PolarHBondContact N-OH 3.14Å; M632-Y636 HydrophobicContact CB-CD1 3.97Å; M632-Y636 HydrophobicContact SD-CD1 3.98Å; T633-Y636 PolarHBondContact O-N 3.14Å; T633-Y636 WeakPolarHBondContact OG1-CB 3.4Å; T633-Y636 PolarHBondContact OG1-N 2.93Å; Y636-Q639 WeakPolarHBondContact O-CB 3.36Å; Y636-Q639 PolarHBondContact O-N 3.07Å; Y636-I640 HydrophobicContact CD1-CG1 4.2Å; Y636-I640 HydrophobicContact CE1-CD1 4.42Å; Y636-I640 HydrophobicContact CE1-CG1 3.77Å; Y636-I640 HydrophobicContact CE2-CD1 4.28Å; Y636-I640 HydrophobicContact CE2-CG1 4.2Å; Y636-I640 WeakPolarHBondContact O-CG1 3.34Å; Y636-I640 PolarHBondContact O-N 2.64Å; Y636-I640 VanDerWaalsContact O-N 3.15Å |
| 637 | Y | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -48 | 173.7 | -179.2 | -84.3 | 0 | 0 | 0 | 111.4 | E539 L555 V557 M632 T633 P634 N635 Q639 I640 F641 K643 P645 | E539-Y637 PolarHBondContact OE1-OH 2.68Å; L555-Y637 HydrophobicContact CD2-CD2 4Å; L555-Y637 HydrophobicContact CD2-CE2 3.99Å; V557-Y637 HydrophobicContact CG2-CD2 3.54Å; V557-Y637 HydrophobicContact CG2-CE2 4.21Å; V557-Y637 HydrophobicContact CG2-CG 4.03Å; M632-Y637 HydrophobicContact SD-CD2 3.91Å; M632-Y637 HydrophobicContact SD-CG 4.36Å; T633-Y637 PolarHBondContact O-N 2.88Å; P634-Y637 PolarHBondContact O-N 2.93Å; N635-Y637 VanDerWaalsContact C-N 3.34Å; Y637-Q639 VanDerWaalsContact C-N 3.27Å; Y637-Q639 PolarHBondContact O-N 3.04Å; Y637-I640 PolarHBondContact O-N 2.79Å; Y637-I640 VanDerWaalsContact O-N 3.16Å; Y637-F641 HydrophobicContact CD1-CB 4.5Å; Y637-F641 HydrophobicContact CD1-CD2 4.14Å; Y637-F641 AromaticContact CD2-CD2 3.39Å; Y637-F641 HydrophobicContact CD2-CD2 3.39Å; Y637-F641 AromaticContact CD2-CE2 3.57Å; Y637-F641 HydrophobicContact CD2-CE2 3.57Å; Y637-F641 HydrophobicContact CD2-CG 4.43Å; Y637-F641 HydrophobicContact CE1-CB 4.17Å; Y637-F641 HydrophobicContact CE1-CD2 4.18Å; Y637-F641 HydrophobicContact CE1-CG 4.44Å; Y637-F641 AromaticContact CE2-CD2 3.47Å; Y637-F641 HydrophobicContact CE2-CD2 3.47Å; Y637-F641 VanDerWaalsContact CE2-CD2 3.47Å; Y637-F641 AromaticContact CE2-CE2 3.68Å; Y637-F641 HydrophobicContact CE2-CE2 3.68Å; Y637-F641 HydrophobicContact CE2-CG 4.16Å; Y637-F641 AromaticContact CG-CD2 3.77Å; Y637-F641 HydrophobicContact CG-CD2 3.77Å; Y637-F641 HydrophobicContact CG-CE2 4.33Å; Y637-F641 AromaticContact CZ-CD2 3.87Å; Y637-F641 WeakPolarHBondContact O-CD2 3.47Å; Y637-F641 PolarHBondContact O-N 3.25Å; Y637-K643 WeakPolarHBondContact CD1-O 3.33Å; Y637-K643 HydrophobicContact CE1-CG 4.02Å; Y637-K643 WeakPolarHBondContact CE1-O 3.45Å; Y637-K643 WeakPolarHBondContact OH-CE 3.43Å; Y637-K643 PolarHBondContact OH-NZ 3.32Å; Y637-P645 HydrophobicContact CD1-CB 4.08Å; Y637-P645 HydrophobicContact CD1-CG 3.55Å; Y637-P645 HydrophobicContact CE1-CB 4.13Å; Y637-P645 HydrophobicContact CE1-CG 4.06Å; Y637-P645 HydrophobicContact CG-CG 3.99Å |
| 638 | Q | 94.1 | Very high | 93.2 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 43% | 0.425 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.6 | -36.3 | 178.1 | -170.3 | 175.7 | 13.9 | 0 | 0 | 112.2 | P634 N635 I640 D642 | P634-Q638 PolarHBondContact O-N 2.84Å; N635-Q638 PolarHBondContact O-N 2.97Å; Q638-I640 VanDerWaalsContact C-N 3.35Å; Q638-I640 PolarHBondContact O-N 3.38Å; Q638-D642 WeakPolarHBondContact O-CA 3.41Å; Q638-D642 PolarHBondContact O-N 3.07Å |
| 639 | Q | 93 | Very high | 93.2 | Very high | 122 Ų | 122 | 47.4 Ų | 47.4 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.4 | -32.6 | 176 | -72.6 | 171.4 | 2.7 | 0 | 0 | 113.9 | N635 Y636 Y637 | N635-Q639 VanDerWaalsContact O-CG 3.29Å; N635-Q639 WeakPolarHBondContact O-CG 3.49Å; N635-Q639 PolarHBondContact O-N 2.96Å; N635-Q639 VanDerWaalsContact O-N 3.09Å; Y636-Q639 WeakPolarHBondContact O-CB 3.36Å; Y636-Q639 PolarHBondContact O-N 3.07Å; Y637-Q639 VanDerWaalsContact C-N 3.27Å; Y637-Q639 PolarHBondContact O-N 3.04Å |
| 640 | I | 93.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 21% | 0.205 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -92.7 | -35.4 | -176 | -64.1 | -59.8 | 0 | 0 | 0 | 112.2 | Y614 V616 Y636 Y637 Q638 | Y614-I640 HydrophobicContact CD1-CG2 4.14Å; Y614-I640 WeakPolarHBondContact CD1-O 3.32Å; Y614-I640 HydrophobicContact CG-CG2 4.43Å; V616-I640 HydrophobicContact CG1-CG2 4.2Å; Y636-I640 HydrophobicContact CD1-CG1 4.2Å; Y636-I640 HydrophobicContact CE1-CD1 4.42Å; Y636-I640 HydrophobicContact CE1-CG1 3.77Å; Y636-I640 HydrophobicContact CE2-CD1 4.28Å; Y636-I640 HydrophobicContact CE2-CG1 4.2Å; Y636-I640 WeakPolarHBondContact O-CG1 3.34Å; Y636-I640 PolarHBondContact O-N 2.64Å; Y636-I640 VanDerWaalsContact O-N 3.15Å; Y637-I640 PolarHBondContact O-N 2.79Å; Y637-I640 VanDerWaalsContact O-N 3.16Å; Q638-I640 VanDerWaalsContact C-N 3.35Å; Q638-I640 PolarHBondContact O-N 3.38Å |
| 641 | F | 92.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -105.4 | -7.6 | -172.3 | -64.1 | -77.1 | 0 | 0 | 0 | 114.4 | F541 L555 I606 Y614 M632 Y637 K643 | F541-F641 AromaticContact CE1-CE1 3.59Å; F541-F641 HydrophobicContact CE1-CE1 3.59Å; F541-F641 AromaticContact CE1-CZ 3.9Å; F541-F641 HydrophobicContact CE1-CZ 3.9Å; F541-F641 HydrophobicContact CE2-CZ 4.35Å; F541-F641 HydrophobicContact CZ-CD1 4.45Å; F541-F641 AromaticContact CZ-CE1 3.47Å; F541-F641 HydrophobicContact CZ-CE1 3.47Å; F541-F641 VanDerWaalsContact CZ-CE1 3.47Å; F541-F641 AromaticContact CZ-CZ 3.62Å; F541-F641 HydrophobicContact CZ-CZ 3.62Å; L555-F641 HydrophobicContact CD1-CE2 4.02Å; L555-F641 HydrophobicContact CD1-CZ 3.89Å; I606-F641 HydrophobicContact CD1-CZ 4.07Å; Y614-F641 AromaticContact CD1-CD1 3.68Å; Y614-F641 HydrophobicContact CD1-CD1 3.68Å; Y614-F641 AromaticContact CD1-CE1 3.8Å; Y614-F641 HydrophobicContact CD1-CE1 3.8Å; Y614-F641 HydrophobicContact CD2-CD1 4Å; Y614-F641 AromaticContact CD2-CE1 3.48Å; Y614-F641 HydrophobicContact CD2-CE1 3.48Å; Y614-F641 VanDerWaalsContact CD2-CE1 3.48Å; Y614-F641 AromaticContact CE1-CD1 3.51Å; Y614-F641 HydrophobicContact CE1-CD1 3.51Å; Y614-F641 HydrophobicContact CE1-CE1 4Å; Y614-F641 HydrophobicContact CE1-CG 4.43Å; Y614-F641 AromaticContact CE2-CD1 3.84Å; Y614-F641 HydrophobicContact CE2-CD1 3.84Å; Y614-F641 AromaticContact CE2-CE1 3.69Å; Y614-F641 HydrophobicContact CE2-CE1 3.69Å; Y614-F641 AromaticContact CG-CD1 3.92Å; Y614-F641 HydrophobicContact CG-CD1 3.92Å; Y614-F641 AromaticContact CG-CE1 3.53Å; Y614-F641 HydrophobicContact CG-CE1 3.53Å; Y614-F641 HydrophobicContact CG-CZ 4.38Å; Y614-F641 AromaticContact CZ-CD1 3.58Å; Y614-F641 AromaticContact CZ-CE1 3.94Å; M632-F641 HydrophobicContact CE-CE2 4.44Å; M632-F641 HydrophobicContact SD-CE2 4.2Å; Y637-F641 HydrophobicContact CD1-CB 4.5Å; Y637-F641 HydrophobicContact CD1-CD2 4.14Å; Y637-F641 AromaticContact CD2-CD2 3.39Å; Y637-F641 HydrophobicContact CD2-CD2 3.39Å; Y637-F641 AromaticContact CD2-CE2 3.57Å; Y637-F641 HydrophobicContact CD2-CE2 3.57Å; Y637-F641 HydrophobicContact CD2-CG 4.43Å; Y637-F641 HydrophobicContact CE1-CB 4.17Å; Y637-F641 HydrophobicContact CE1-CD2 4.18Å; Y637-F641 HydrophobicContact CE1-CG 4.44Å; Y637-F641 AromaticContact CE2-CD2 3.47Å; Y637-F641 HydrophobicContact CE2-CD2 3.47Å; Y637-F641 VanDerWaalsContact CE2-CD2 3.47Å; Y637-F641 AromaticContact CE2-CE2 3.68Å; Y637-F641 HydrophobicContact CE2-CE2 3.68Å; Y637-F641 HydrophobicContact CE2-CG 4.16Å; Y637-F641 AromaticContact CG-CD2 3.77Å; Y637-F641 HydrophobicContact CG-CD2 3.77Å; Y637-F641 HydrophobicContact CG-CE2 4.33Å; Y637-F641 AromaticContact CZ-CD2 3.87Å; Y637-F641 WeakPolarHBondContact O-CD2 3.47Å; Y637-F641 PolarHBondContact O-N 3.25Å; F641-K643 HydrophobicContact CB-CG 3.84Å; F641-K643 PolarHBondContact O-N 3.48Å; F641-K643 VanDerWaalsContact O-N 3.16Å |
| 642 | D | 89 | Confident | 93.3 | Very high | 148 Ų | 148 | 45.7 Ų | 45.7 | 79% | 0.791 | 23% | 0.228 | S | C | * | . | S | Bend | trans | 54.4 | 27.3 | -175.6 | -58.5 | -50.9 | 0 | 0 | 0 | 113.6 | Q638 | Q638-D642 WeakPolarHBondContact O-CA 3.41Å; Q638-D642 PolarHBondContact O-N 3.07Å |
| 643 | K | 90.8 | Very high | 93.3 | Very high | 86 Ų | 86 | 46.2 Ų | 46.2 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -143.7 | 154.2 | 177.4 | 58.1 | 164.8 | 175.3 | 146.1 | 0 | 111.1 | E539 Y637 F641 | E539-K643 IonicContact OE1-NZ 3.26Å; E539-K643 PolarHBondContact OE1-NZ 2.81Å; E539-K643 VanDerWaalsContact OE1-NZ 3.12Å; E539-K643 IonicContact OE2-NZ 3.84Å; Y637-K643 WeakPolarHBondContact CD1-O 3.33Å; Y637-K643 HydrophobicContact CE1-CG 4.02Å; Y637-K643 WeakPolarHBondContact CE1-O 3.45Å; Y637-K643 WeakPolarHBondContact OH-CE 3.43Å; Y637-K643 PolarHBondContact OH-NZ 3.32Å; F641-K643 HydrophobicContact CB-CG 3.84Å; F641-K643 PolarHBondContact O-N 3.48Å; F641-K643 VanDerWaalsContact O-N 3.16Å |
| 644 | E | 90.4 | Very high | 93.2 | Very high | 143 Ų | 143 | 46.3 Ų | 46.3 | 67% | 0.668 | 23% | 0.231 | S | C | * | . | trans | -72.2 | 145.2 | 171.3 | -66.8 | -171.6 | 170.2 | 0 | 0 | 111 | ||||
| 645 | P | 90.9 | Very high | 93 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | trans | -62.5 | 137.6 | 174.7 | -14.1 | 25 | 0 | 0 | 0 | 111.5 | V557 P634 Y637 Y647 | V557-P645 HydrophobicContact CB-CB 4.35Å; V557-P645 HydrophobicContact CG1-CB 4.24Å; V557-P645 HydrophobicContact CG1-CG 3.92Å; P634-P645 HydrophobicContact CB-CG 4.22Å; Y637-P645 HydrophobicContact CD1-CB 4.08Å; Y637-P645 HydrophobicContact CD1-CG 3.55Å; Y637-P645 HydrophobicContact CE1-CB 4.13Å; Y637-P645 HydrophobicContact CE1-CG 4.06Å; Y637-P645 HydrophobicContact CG-CG 3.99Å; P645-Y647 HydrophobicContact CB-CE1 4.21Å | ||
| 646 | T | 90.7 | Very high | 92.7 | Very high | 66 Ų | 66 | 52 Ų | 52 | 41% | 0.405 | 26% | 0.259 | S | S | . | . | trans | -96.4 | 104 | 174.7 | 52.4 | 0 | 0 | 0 | 0 | 110 | P511 S537 N648 | P511-T646 HydrophobicContact CG-CG2 4.49Å; S537-T646 WeakPolarHBondContact CB-O 3.48Å; S537-T646 PolarHBondContact OG-O 3.11Å; S537-T646 VanDerWaalsContact OG-O 3.12Å; T646-N648 PolarHBondContact O-N 3.26Å | ||
| 647 | Y | 93.4 | Very high | 92.3 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 19% | 0.192 | 27% | 0.274 | C | S | . | . | trans | -71.2 | 98.2 | -179.4 | -53.7 | -71.3 | 0 | 0 | 0 | 111 | F535 K559 P645 | F535-Y647 HydrophobicContact CB-CD1 4.49Å; F535-Y647 HydrophobicContact CB-CG 4.48Å; K559-Y647 VanDerWaalsContact CA-CE1 3.41Å; K559-Y647 HydrophobicContact CB-CD1 3.82Å; K559-Y647 HydrophobicContact CB-CE1 3.49Å; K559-Y647 VanDerWaalsContact CB-CE1 3.49Å; K559-Y647 HydrophobicContact CB-CE2 4.31Å; K559-Y647 HydrophobicContact CB-CG 4.37Å; K559-Y647 HydrophobicContact CD-CD2 4.07Å; K559-Y647 HydrophobicContact CD-CE2 4.11Å; K559-Y647 HydrophobicContact CD-CG 4.33Å; K559-Y647 HydrophobicContact CG-CD1 4.39Å; K559-Y647 HydrophobicContact CG-CD2 4.29Å; K559-Y647 HydrophobicContact CG-CE1 4Å; K559-Y647 HydrophobicContact CG-CE2 3.88Å; P645-Y647 HydrophobicContact CB-CE1 4.21Å | ||
| 648 | N | 91.2 | Very high | 92 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 21% | 0.214 | 28% | 0.278 | C | S | . | . | trans | -109.9 | -5.9 | -175 | 64.9 | -25.1 | 0 | 0 | 0 | 113.3 | F508 V536 L538 T646 | F508-N648 WeakPolarHBondContact CD2-O 3.35Å; F508-N648 PolarHBondContact N-O 2.94Å; V536-N648 PolarHBondContact O-N 2.95Å; V536-N648 PolarHBondContact O-OD1 3.36Å; L538-N648 PolarHBondContact N-OD1 2.88Å; L538-N648 PolarHBondContact O-ND2 3.34Å; T646-N648 PolarHBondContact O-N 3.26Å | ||
| 649 | T | 93.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146 | -178.6 | -54.8 | 0 | 0 | 0 | 0 | 109.5 | T506 V507 V536 | T506-T649 CarbonylContact O-C 3.54Å; T506-T649 WeakPolarHBondContact O-CA 3.48Å; T506-T649 WeakPolarHBondContact O-CG2 3.42Å; V507-T649 HydrophobicContact CG2-CG2 4.38Å; V536-T649 HydrophobicContact CG2-CG2 3.97Å; V536-T649 PolarHBondContact N-O 2.8Å; V536-T649 PolarHBondContact O-N 3.42Å; V536-T649 VanDerWaalsContact O-N 3.1Å |
| 650 | D | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.6 | 172.2 | -178.8 | 57.9 | 0 | 0 | 0 | 109.8 | T505 T506 F508 Y520 H533 L534 F535 L652 | T505-D650 CarbonylContact C-O 3.57Å; T505-D650 VanDerWaalsContact CA-O 3.27Å; T505-D650 WeakPolarHBondContact CA-O 3.21Å; T506-D650 PolarHBondContact N-O 3.17Å; T506-D650 PolarHBondContact O-N 3.05Å; T506-D650 WeakPolarHBondContact OG1-CB 3.29Å; F508-D650 HydrophobicContact CE2-CB 4.01Å; Y520-D650 HydrophobicContact CE1-CB 4.19Å; Y520-D650 VanDerWaalsContact CE1-OD2 3.23Å; Y520-D650 WeakPolarHBondContact CE1-OD2 3.36Å; Y520-D650 PolarHBondContact OH-OD2 3.36Å; H533-D650 IonicContact CG-OD1 3.12Å; H533-D650 IonicContact CG-OD2 2.84Å; H533-D650 IonicContact ND1-OD1 3.59Å; H533-D650 PolarHBondContact ND1-OD1 2.8Å; H533-D650 IonicContact ND1-OD2 3.8Å; L534-D650 PolarHBondContact N-OD1 3.1Å; F535-D650 HydrophobicContact CD1-CB 3.84Å; F535-D650 HydrophobicContact CE1-CB 3.83Å; F535-D650 HydrophobicContact CG-CB 4.47Å; F535-D650 HydrophobicContact CZ-CB 4.44Å; F535-D650 PolarHBondContact N-OD1 3.18Å; F535-D650 VanDerWaalsContact N-OD1 3.13Å; D650-L652 WeakPolarHBondContact OD2-CD2 3.33Å |
| 651 | L | 95.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133 | 178.5 | -54.1 | -177.1 | 0 | 0 | 0 | 108.9 | Y502 T505 H533 L534 V536 F567 | Y502-L651 HydrophobicContact CD2-CB 4.44Å; Y502-L651 HydrophobicContact CD2-CD2 4.03Å; Y502-L651 HydrophobicContact CE2-CD2 3.97Å; Y502-L651 HydrophobicContact CG-CB 4.46Å; T505-L651 HydrophobicContact CG2-CD2 3.65Å; H533-L651 CarbonylContact C-O 3.49Å; H533-L651 WeakPolarHBondContact CA-O 3.31Å; L534-L651 HydrophobicContact CB-CB 4.4Å; L534-L651 PolarHBondContact N-O 3.34Å; L534-L651 PolarHBondContact O-N 2.99Å; V536-L651 HydrophobicContact CG1-CD1 3.84Å; V536-L651 HydrophobicContact CG1-CG 3.98Å; V536-L651 HydrophobicContact CG2-CD2 4.14Å; V536-L651 HydrophobicContact CG2-CG 4.1Å; F567-L651 HydrophobicContact CB-CD1 4.28Å; F567-L651 HydrophobicContact CD1-CB 3.76Å; F567-L651 HydrophobicContact CE1-CB 4.19Å; F567-L651 WeakPolarHBondContact CE1-O 3.47Å |
| 652 | L | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.2 | -177.9 | -55.5 | -177.7 | 0 | 0 | 0 | 110.9 | Q503 G504 T506 L524 F530 H533 D650 F654 L670 | Q503-L652 PolarHBondContact N-O 2.67Å; G504-L652 PolarHBondContact N-O 3.41Å; G504-L652 PolarHBondContact O-N 3.05Å; T506-L652 HydrophobicContact CG2-CD1 3.82Å; T506-L652 HydrophobicContact CG2-CG 4.3Å; L524-L652 HydrophobicContact CD1-CD2 3.75Å; L524-L652 HydrophobicContact CD2-CD1 4.36Å; L524-L652 HydrophobicContact CD2-CD2 3.68Å; L524-L652 HydrophobicContact CG-CD2 4.37Å; F530-L652 HydrophobicContact CE2-CD2 4.3Å; H533-L652 HydrophobicContact CB-CD2 4.18Å; D650-L652 WeakPolarHBondContact OD2-CD2 3.33Å; L652-F654 HydrophobicContact CB-CE2 3.76Å; L652-F654 HydrophobicContact CB-CZ 4.24Å; L652-F654 HydrophobicContact CD1-CE2 4.41Å; L652-F654 HydrophobicContact CD1-CZ 4.28Å; L652-L670 HydrophobicContact CD1-CD1 4.18Å |
| 653 | L | 95.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.9 | 174.2 | -175.6 | 69.9 | 0 | 0 | 0 | 109.8 | H501 Q531 A532 D566 F567 | H501-L653 HydrophobicContact CB-CD1 4.4Å; H501-L653 VanDerWaalsContact O-CD1 3.25Å; H501-L653 WeakPolarHBondContact O-CD1 3.43Å; Q531-L653 HydrophobicContact CB-CG 4.42Å; Q531-L653 WeakPolarHBondContact CB-O 3.44Å; Q531-L653 HydrophobicContact CG-CD2 4.36Å; Q531-L653 PolarHBondContact N-O 2.86Å; A532-L653 HydrophobicContact CB-CB 4.35Å; A532-L653 HydrophobicContact CB-CD2 4.3Å; A532-L653 PolarHBondContact N-O 3.23Å; A532-L653 WeakPolarHBondContact O-CB 3.38Å; A532-L653 PolarHBondContact O-N 3.47Å; D566-L653 HydrophobicContact CB-CD2 4.46Å; F567-L653 HydrophobicContact CD1-CB 4.05Å; F567-L653 HydrophobicContact CE1-CB 3.56Å; F567-L653 HydrophobicContact CZ-CB 4.1Å |
| 654 | F | 94.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.022 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 141.3 | 176.9 | -60.9 | -92.9 | 0 | 0 | 0 | 110.1 | Q503 N529 F530 L652 K656 P658 I666 F681 | Q503-F654 HydrophobicContact CB-CD2 4.12Å; N529-F654 CarbonylContact O-C 3.43Å; N529-F654 VanDerWaalsContact O-CA 3.23Å; N529-F654 WeakPolarHBondContact O-CA 3.32Å; N529-F654 WeakPolarHBondContact O-CB 3.13Å; F530-F654 HydrophobicContact CB-CD1 4.47Å; F530-F654 HydrophobicContact CB-CE1 4.45Å; L652-F654 HydrophobicContact CB-CE2 3.76Å; L652-F654 HydrophobicContact CB-CZ 4.24Å; L652-F654 HydrophobicContact CD1-CE2 4.41Å; L652-F654 HydrophobicContact CD1-CZ 4.28Å; F654-K656 WeakPolarHBondContact CB-O 3.48Å; F654-K656 PolarHBondContact O-N 3.21Å; F654-P658 HydrophobicContact CD2-CG 4.4Å; F654-I666 HydrophobicContact CE1-CD1 3.75Å; F654-I666 HydrophobicContact CZ-CD1 3.9Å; F654-F681 HydrophobicContact CE2-CE1 4.08Å; F654-F681 HydrophobicContact CZ-CE1 4.39Å |
| 655 | S | 90.8 | Very high | 90.5 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 58% | 0.58 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -65 | -22.3 | 177.1 | -63 | 0 | 0 | 0 | 0 | 113.1 | N529 Q531 | N529-S655 PolarHBondContact O-N 3.02Å; Q531-S655 WeakPolarHBondContact CB-OG 3.44Å; Q531-S655 VanDerWaalsContact OE1-CA 3.25Å; Q531-S655 PolarHBondContact OE1-OG 2.77Å; Q531-S655 VanDerWaalsContact OE1-OG 3.08Å |
| 656 | K | 88.7 | Confident | 90.5 | Very high | 148 Ų | 148 | 53 Ų | 53 | 64% | 0.643 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -138.2 | 129.8 | 172.3 | -176.2 | 178.9 | 179 | -178 | 0 | 108.1 | F654 | F654-K656 WeakPolarHBondContact CB-O 3.48Å; F654-K656 PolarHBondContact O-N 3.21Å |
| 657 | E | 86.5 | Confident | 90.3 | Very high | 79 Ų | 79 | 50 Ų | 50 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -54.4 | 122.6 | 178.1 | -172.4 | 170.4 | -179.1 | 0 | 0 | 110.1 | Q503 R686 | Q503-E657 HydrophobicContact CG-CG 4.18Å; E657-R686 IonicContact OE1-CZ 3.49Å; E657-R686 IonicContact OE1-NH1 3.3Å; E657-R686 PolarHBondContact OE1-NH1 2.94Å; E657-R686 IonicContact OE1-NH2 2.71Å; E657-R686 IonicContact OE2-CZ 3.63Å; E657-R686 IonicContact OE2-NH1 3.42Å; E657-R686 PolarHBondContact OE2-NH1 3.18Å; E657-R686 IonicContact OE2-NH2 3.77Å |
| 658 | P | 88.3 | Confident | 89.9 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 146.5 | 179.8 | 27.7 | -34.1 | 0 | 0 | 0 | 110.1 | F654 T662 E663 I666 F681 | F654-P658 HydrophobicContact CD2-CG 4.4Å; P658-T662 HydrophobicContact CB-CG2 4.05Å; P658-E663 HydrophobicContact CB-CG 3.79Å; P658-E663 HydrophobicContact CG-CG 3.59Å; P658-I666 HydrophobicContact CB-CD1 4.46Å; P658-F681 HydrophobicContact CG-CD1 4.32Å; P658-F681 HydrophobicContact CG-CE1 4.13Å |
| 659 | N | 89.4 | Confident | 89.7 | Confident | 91 Ų | 91 | 52.1 Ų | 52.1 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 164.1 | 169.5 | 68.6 | 3.7 | 0 | 0 | 0 | 110.1 | E661 T662 E663 | N659-E661 PolarHBondContact O-N 2.89Å; N659-E661 VanDerWaalsContact O-N 3.11Å; N659-T662 WeakPolarHBondContact O-CA 3.42Å; N659-T662 PolarHBondContact O-N 2.74Å; N659-T662 WeakPolarHBondContact OD1-CB 3.36Å; N659-T662 PolarHBondContact OD1-N 2.87Å; N659-T662 PolarHBondContact OD1-OG1 2.84Å; N659-E663 WeakPolarHBondContact O-CG 3.44Å; N659-E663 PolarHBondContact O-N 3.48Å |
| 660 | Q | 84.9 | Confident | 89.5 | Confident | 129 Ų | 129 | 51.9 Ų | 51.9 | 60% | 0.603 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -54 | -36.1 | -176.8 | -167.9 | 177.4 | 12.4 | 0 | 0 | 114 | N664 | Q660-N664 PolarHBondContact O-N 3.02Å; Q660-N664 PolarHBondContact O-OD1 3.46Å |
| 661 | E | 86 | Confident | 89 | Confident | 126 Ų | 126 | 53.1 Ų | 53.1 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -68.6 | -39.8 | 176.3 | -67 | -178.6 | -175.4 | 0 | 0 | 112.5 | N659 R665 | N659-E661 PolarHBondContact O-N 2.89Å; N659-E661 VanDerWaalsContact O-N 3.11Å; E661-R665 WeakPolarHBondContact O-CG 3.38Å; E661-R665 PolarHBondContact O-N 3.26Å; E661-R665 VanDerWaalsContact O-N 3.15Å |
| 662 | T | 88.5 | Confident | 88.5 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.8 | -40.9 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | P658 N659 N664 R665 I666 | P658-T662 HydrophobicContact CB-CG2 4.05Å; N659-T662 WeakPolarHBondContact O-CA 3.42Å; N659-T662 PolarHBondContact O-N 2.74Å; N659-T662 WeakPolarHBondContact OD1-CB 3.36Å; N659-T662 PolarHBondContact OD1-N 2.87Å; N659-T662 PolarHBondContact OD1-OG1 2.84Å; T662-N664 PolarHBondContact O-N 3.13Å; T662-R665 PolarHBondContact O-N 2.88Å; T662-I666 HydrophobicContact CG2-CD1 3.83Å; T662-I666 HydrophobicContact CG2-CG1 4.31Å; T662-I666 VanDerWaalsContact O-CG1 3.28Å; T662-I666 WeakPolarHBondContact O-CG1 3.24Å; T662-I666 PolarHBondContact O-N 2.79Å |
| 663 | E | 89.7 | Confident | 87.9 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 173.3 | -70.2 | -178.2 | 160.7 | 0 | 0 | 111.7 | P658 N659 R665 I666 A667 F681 S683 | P658-E663 HydrophobicContact CB-CG 3.79Å; P658-E663 HydrophobicContact CG-CG 3.59Å; N659-E663 WeakPolarHBondContact O-CG 3.44Å; N659-E663 PolarHBondContact O-N 3.48Å; E663-R665 VanDerWaalsContact C-N 3.3Å; E663-R665 PolarHBondContact O-N 3.45Å; E663-I666 PolarHBondContact O-N 2.76Å; E663-A667 WeakPolarHBondContact O-CB 3.13Å; E663-A667 PolarHBondContact O-N 2.81Å; E663-F681 HydrophobicContact CB-CD1 4.23Å; E663-F681 HydrophobicContact CB-CD2 3.68Å; E663-F681 HydrophobicContact CB-CE1 4.28Å; E663-F681 HydrophobicContact CB-CE2 3.73Å; E663-F681 HydrophobicContact CB-CG 3.93Å; E663-F681 HydrophobicContact CB-CZ 4.05Å; E663-F681 HydrophobicContact CG-CB 4.3Å; E663-F681 HydrophobicContact CG-CD1 3.63Å; E663-F681 HydrophobicContact CG-CD2 3.99Å; E663-F681 HydrophobicContact CG-CE1 3.87Å; E663-F681 HydrophobicContact CG-CE2 4.2Å; E663-F681 HydrophobicContact CG-CG 3.69Å; E663-F681 HydrophobicContact CG-CZ 4.15Å; E663-F681 VanDerWaalsContact O-CE2 3.25Å; E663-F681 WeakPolarHBondContact O-CE2 3.39Å; E663-S683 VanDerWaalsContact OE1-CB 3.26Å; E663-S683 WeakPolarHBondContact OE1-CB 3.3Å; E663-S683 PolarHBondContact OE1-OG 2.95Å; E663-S683 PolarHBondContact OE2-OG 2.84Å |
| 664 | N | 85.2 | Confident | 87.1 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 177 | -69.6 | -6.5 | 0 | 0 | 0 | 111.9 | D55 K143 Q660 T662 K668 | D55-N664 PolarHBondContact OD2-ND2 3.22Å; K143-N664 HydrophobicContact CD-CB 4.29Å; Q660-N664 PolarHBondContact O-N 3.02Å; Q660-N664 PolarHBondContact O-OD1 3.46Å; T662-N664 PolarHBondContact O-N 3.13Å; N664-K668 WeakPolarHBondContact O-CB 3.15Å; N664-K668 PolarHBondContact O-N 2.76Å |
| 665 | R | 87.4 | Confident | 86.7 | Confident | 174 Ų | 174 | 67.9 Ų | 67.9 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.6 | -45.8 | 177.1 | -72 | 176.1 | -171.4 | 178.7 | 5.9 | 111.9 | E661 T662 E663 K668 Q669 | E661-R665 WeakPolarHBondContact O-CG 3.38Å; E661-R665 PolarHBondContact O-N 3.26Å; E661-R665 VanDerWaalsContact O-N 3.15Å; T662-R665 PolarHBondContact O-N 2.88Å; E663-R665 VanDerWaalsContact C-N 3.3Å; E663-R665 PolarHBondContact O-N 3.45Å; R665-K668 PolarHBondContact O-N 2.98Å; R665-Q669 WeakPolarHBondContact O-CB 3.35Å; R665-Q669 PolarHBondContact O-N 3.5Å |
| 666 | I | 90 | Very high | 86.4 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -48.5 | 176.9 | -66.5 | 166.6 | 0 | 0 | 0 | 110 | L527 F654 P658 T662 E663 K668 Q669 L670 F681 | L527-I666 HydrophobicContact CD1-CG2 3.74Å; L527-I666 HydrophobicContact CD2-CG1 4.22Å; L527-I666 HydrophobicContact CD2-CG2 4.21Å; F654-I666 HydrophobicContact CE1-CD1 3.75Å; F654-I666 HydrophobicContact CZ-CD1 3.9Å; P658-I666 HydrophobicContact CB-CD1 4.46Å; T662-I666 HydrophobicContact CG2-CD1 3.83Å; T662-I666 HydrophobicContact CG2-CG1 4.31Å; T662-I666 VanDerWaalsContact O-CG1 3.28Å; T662-I666 WeakPolarHBondContact O-CG1 3.24Å; T662-I666 PolarHBondContact O-N 2.79Å; E663-I666 PolarHBondContact O-N 2.76Å; I666-K668 VanDerWaalsContact C-N 3.29Å; I666-K668 PolarHBondContact O-N 3.28Å; I666-Q669 PolarHBondContact O-N 3.21Å; I666-L670 HydrophobicContact CG2-CD1 3.77Å; I666-L670 HydrophobicContact CG2-CG 4.31Å; I666-L670 WeakPolarHBondContact O-CG 3.46Å; I666-L670 PolarHBondContact O-N 3.19Å; I666-F681 HydrophobicContact CB-CZ 3.97Å; I666-F681 HydrophobicContact CD1-CZ 4.46Å; I666-F681 HydrophobicContact CG2-CZ 3.84Å |
| 667 | A | 87.7 | Confident | 86.1 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.6 | -47.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | K143 E663 L670 M671 V679 F681 | K143-A667 HydrophobicContact CB-CB 4.21Å; E663-A667 WeakPolarHBondContact O-CB 3.13Å; E663-A667 PolarHBondContact O-N 2.81Å; A667-L670 PolarHBondContact O-N 3.39Å; A667-M671 WeakPolarHBondContact O-CB 3.16Å; A667-M671 WeakPolarHBondContact O-CG 3.49Å; A667-M671 PolarHBondContact O-N 2.62Å; A667-V679 HydrophobicContact CB-CB 4.17Å; A667-V679 HydrophobicContact CB-CG1 4.19Å; A667-F681 HydrophobicContact CB-CE2 4.15Å |
| 668 | K | 84.1 | Confident | 86 | Confident | 68 Ų | 68 | 55.7 Ų | 55.7 | 30% | 0.296 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 178.7 | -175.4 | 179.9 | 176.4 | -178.7 | 0 | 112.3 | N664 R665 I666 L670 M671 E672 | N664-K668 WeakPolarHBondContact O-CB 3.15Å; N664-K668 PolarHBondContact O-N 2.76Å; R665-K668 PolarHBondContact O-N 2.98Å; I666-K668 VanDerWaalsContact C-N 3.29Å; I666-K668 PolarHBondContact O-N 3.28Å; K668-L670 PolarHBondContact O-N 2.87Å; K668-M671 PolarHBondContact O-N 2.88Å; K668-E672 WeakPolarHBondContact O-CG 3.46Å; K668-E672 PolarHBondContact O-N 3.09Å; K668-E672 VanDerWaalsContact O-N 3.13Å |
| 669 | Q | 87.6 | Confident | 86 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.8 | -50.3 | 179.8 | -180 | 179.7 | -23.8 | 0 | 0 | 110.8 | T526 R665 I666 M671 E672 | T526-Q669 PolarHBondContact OG1-NE2 3Å; R665-Q669 WeakPolarHBondContact O-CB 3.35Å; R665-Q669 PolarHBondContact O-N 3.5Å; I666-Q669 PolarHBondContact O-N 3.21Å; Q669-M671 PolarHBondContact O-N 2.99Å; Q669-E672 WeakPolarHBondContact O-CB 3.4Å; Q669-E672 PolarHBondContact O-N 3.17Å |
| 670 | L | 88.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.5 | -36.2 | 179.8 | -64.6 | 177.8 | 0 | 0 | 0 | 112.3 | T506 Y520 E523 L524 L527 L652 I666 A667 K668 E672 N673 I676 V679 | T506-L670 HydrophobicContact CG2-CD1 3.87Å; Y520-L670 HydrophobicContact CE2-CD2 4.16Å; E523-L670 HydrophobicContact CG-CD2 4.28Å; L524-L670 HydrophobicContact CD2-CD1 4.14Å; L524-L670 HydrophobicContact CD2-CD2 3.96Å; L527-L670 HydrophobicContact CD1-CD1 4.32Å; L527-L670 HydrophobicContact CD1-CD2 4.49Å; L652-L670 HydrophobicContact CD1-CD1 4.18Å; I666-L670 HydrophobicContact CG2-CD1 3.77Å; I666-L670 HydrophobicContact CG2-CG 4.31Å; I666-L670 WeakPolarHBondContact O-CG 3.46Å; I666-L670 PolarHBondContact O-N 3.19Å; A667-L670 PolarHBondContact O-N 3.39Å; K668-L670 PolarHBondContact O-N 2.87Å; L670-E672 PolarHBondContact O-N 2.91Å; L670-N673 VanDerWaalsContact O-CB 3.23Å; L670-N673 WeakPolarHBondContact O-CB 3.44Å; L670-N673 PolarHBondContact O-N 3.21Å; L670-N673 VanDerWaalsContact O-N 3.09Å; L670-I676 HydrophobicContact CB-CD1 4.02Å; L670-I676 WeakPolarHBondContact O-CD1 3.44Å; L670-V679 HydrophobicContact CB-CG2 3.86Å; L670-V679 HydrophobicContact CD1-CG1 4.44Å; L670-V679 HydrophobicContact CD1-CG2 4.3Å |
| 671 | M | 84.9 | Confident | 86.2 | Confident | 26 Ų | 26 | 48 Ų | 48 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.7 | -9.8 | 177.1 | -70.1 | -64.7 | -55.7 | 0 | 0 | 113.7 | T140 G142 A667 K668 Q669 N673 I676 N678 V679 | T140-M671 WeakPolarHBondContact O-CE 3.34Å; G142-M671 WeakPolarHBondContact O-CB 3.37Å; G142-M671 WeakPolarHBondContact O-CG 3.24Å; A667-M671 WeakPolarHBondContact O-CB 3.16Å; A667-M671 WeakPolarHBondContact O-CG 3.49Å; A667-M671 PolarHBondContact O-N 2.62Å; K668-M671 PolarHBondContact O-N 2.88Å; Q669-M671 PolarHBondContact O-N 2.99Å; M671-N673 PolarHBondContact O-N 3.29Å; M671-I676 HydrophobicContact SD-CG2 3.7Å; M671-N678 VanDerWaalsContact SD-CA 3.56Å; M671-V679 HydrophobicContact CG-CG2 4.03Å; M671-V679 HydrophobicContact SD-CG2 3.97Å |
| 672 | E | 84.5 | Confident | 86.4 | Confident | 147 Ų | 147 | 42.7 Ų | 42.7 | 69% | 0.687 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.9 | 168 | -71.7 | 172.5 | -172.5 | 0 | 0 | 111.6 | K668 Q669 L670 S674 | K668-E672 WeakPolarHBondContact O-CG 3.46Å; K668-E672 PolarHBondContact O-N 3.09Å; K668-E672 VanDerWaalsContact O-N 3.13Å; Q669-E672 WeakPolarHBondContact O-CB 3.4Å; Q669-E672 PolarHBondContact O-N 3.17Å; L670-E672 PolarHBondContact O-N 2.91Å; E672-S674 PolarHBondContact O-N 3.19Å |
| 673 | N | 83 | Confident | 86.5 | Confident | 39 Ų | 39 | 41.5 Ų | 41.5 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -74.6 | 117.6 | 171.5 | -170 | -26.7 | 0 | 0 | 0 | 110.6 | L670 M671 E675 I676 | L670-N673 VanDerWaalsContact O-CB 3.23Å; L670-N673 WeakPolarHBondContact O-CB 3.44Å; L670-N673 PolarHBondContact O-N 3.21Å; L670-N673 VanDerWaalsContact O-N 3.09Å; M671-N673 PolarHBondContact O-N 3.29Å; N673-E675 PolarHBondContact O-N 3.26Å; N673-E675 WeakPolarHBondContact OD1-CB 3.44Å; N673-E675 PolarHBondContact OD1-N 3.41Å; N673-I676 HydrophobicContact CB-CD1 4.13Å; N673-I676 HydrophobicContact CB-CG1 4.18Å; N673-I676 PolarHBondContact O-N 3.12Å; N673-I676 VanDerWaalsContact O-N 3.07Å |
| 674 | S | 79.2 | Confident | 86.2 | Confident | 92 Ų | 92 | 44.5 Ų | 44.5 | 64% | 0.643 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.1 | -179 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | N509 E672 | N509-S674 PolarHBondContact ND2-O 3.42Å; E672-S674 PolarHBondContact O-N 3.19Å |
| 675 | E | 84.7 | Confident | 86.1 | Confident | 57 Ų | 57 | 46.3 Ų | 46.3 | 27% | 0.266 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.9 | -178.9 | -53.5 | -49.9 | 123.9 | 0 | 0 | 112.9 | F508 N509 N673 | F508-E675 WeakPolarHBondContact CA-O 3.29Å; N509-E675 PolarHBondContact N-O 2.85Å; N673-E675 PolarHBondContact O-N 3.26Å; N673-E675 WeakPolarHBondContact OD1-CB 3.44Å; N673-E675 PolarHBondContact OD1-N 3.41Å |
| 676 | I | 86 | Confident | 86.1 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 124.1 | -179.3 | -63.1 | -177.2 | 0 | 0 | 0 | 109.4 | F508 Y520 L670 M671 N673 V679 | F508-I676 HydrophobicContact CD1-CG1 4.15Å; F508-I676 HydrophobicContact CE1-CD1 4.48Å; F508-I676 HydrophobicContact CE1-CG1 4.02Å; Y520-I676 HydrophobicContact CD2-CD1 3.86Å; Y520-I676 HydrophobicContact CE2-CD1 3.71Å; L670-I676 HydrophobicContact CB-CD1 4.02Å; L670-I676 WeakPolarHBondContact O-CD1 3.44Å; M671-I676 HydrophobicContact SD-CG2 3.7Å; N673-I676 HydrophobicContact CB-CD1 4.13Å; N673-I676 HydrophobicContact CB-CG1 4.18Å; N673-I676 PolarHBondContact O-N 3.12Å; N673-I676 VanDerWaalsContact O-N 3.07Å; I676-V679 HydrophobicContact CG2-CG2 3.88Å |
| 677 | A | 81.3 | Confident | 85.9 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T140 V507 N509 | T140-A677 WeakPolarHBondContact CG2-O 3.37Å; V507-A677 HydrophobicContact CG1-CB 4.44Å; V507-A677 WeakPolarHBondContact O-CA 3.47Å; V507-A677 WeakPolarHBondContact O-CB 3.38Å; V507-A677 PolarHBondContact O-N 3.42Å; N509-A677 WeakPolarHBondContact OD1-CA 3.23Å; N509-A677 WeakPolarHBondContact OD1-CB 3.44Å |
| 678 | N | 84.3 | Confident | 85.5 | Confident | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 151.4 | -176.5 | -172 | 33.1 | 0 | 0 | 0 | 112 | T506 V507 M671 | T506-N678 WeakPolarHBondContact CA-O 3.46Å; V507-N678 PolarHBondContact N-O 2.95Å; V507-N678 PolarHBondContact O-N 3.33Å; M671-N678 VanDerWaalsContact SD-CA 3.56Å |
| 679 | V | 88.8 | Confident | 85.5 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.1 | 168 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | T505 T506 A667 L670 M671 I676 F681 | T505-V679 CarbonylContact O-C 3.51Å; T505-V679 WeakPolarHBondContact O-CA 3.32Å; T506-V679 HydrophobicContact CG2-CG1 4.31Å; T506-V679 HydrophobicContact CG2-CG2 4Å; A667-V679 HydrophobicContact CB-CB 4.17Å; A667-V679 HydrophobicContact CB-CG1 4.19Å; L670-V679 HydrophobicContact CB-CG2 3.86Å; L670-V679 HydrophobicContact CD1-CG1 4.44Å; L670-V679 HydrophobicContact CD1-CG2 4.3Å; M671-V679 HydrophobicContact CG-CG2 4.03Å; M671-V679 HydrophobicContact SD-CG2 3.97Å; I676-V679 HydrophobicContact CG2-CG2 3.88Å; V679-F681 HydrophobicContact CG1-CE2 3.94Å; V679-F681 HydrophobicContact CG1-CZ 4.37Å |
| 680 | S | 87.5 | Confident | 85.4 | Confident | 47 Ų | 47 | 44.9 Ų | 44.9 | 33% | 0.329 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.7 | 178.4 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | G504 T505 | G504-S680 CarbonylContact C-O 3.54Å; G504-S680 WeakPolarHBondContact CA-O 3.15Å; T505-S680 PolarHBondContact N-O 2.82Å; T505-S680 PolarHBondContact O-N 3.4Å; T505-S680 PolarHBondContact OG1-O 3.24Å; T505-S680 PolarHBondContact OG1-OG 3.11Å |
| 681 | F | 91.3 | Very high | 85.1 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 144.4 | 177.1 | -72.1 | -86.8 | 0 | 0 | 0 | 111.7 | Q503 F654 P658 E663 I666 A667 V679 S683 K684 | Q503-F681 CarbonylContact O-C 3.56Å; Q503-F681 WeakPolarHBondContact O-CA 3.41Å; Q503-F681 WeakPolarHBondContact O-CD1 3.41Å; F654-F681 HydrophobicContact CE2-CE1 4.08Å; F654-F681 HydrophobicContact CZ-CE1 4.39Å; P658-F681 HydrophobicContact CG-CD1 4.32Å; P658-F681 HydrophobicContact CG-CE1 4.13Å; E663-F681 HydrophobicContact CB-CD1 4.23Å; E663-F681 HydrophobicContact CB-CD2 3.68Å; E663-F681 HydrophobicContact CB-CE1 4.28Å; E663-F681 HydrophobicContact CB-CE2 3.73Å; E663-F681 HydrophobicContact CB-CG 3.93Å; E663-F681 HydrophobicContact CB-CZ 4.05Å; E663-F681 HydrophobicContact CG-CB 4.3Å; E663-F681 HydrophobicContact CG-CD1 3.63Å; E663-F681 HydrophobicContact CG-CD2 3.99Å; E663-F681 HydrophobicContact CG-CE1 3.87Å; E663-F681 HydrophobicContact CG-CE2 4.2Å; E663-F681 HydrophobicContact CG-CG 3.69Å; E663-F681 HydrophobicContact CG-CZ 4.15Å; E663-F681 VanDerWaalsContact O-CE2 3.25Å; E663-F681 WeakPolarHBondContact O-CE2 3.39Å; I666-F681 HydrophobicContact CB-CZ 3.97Å; I666-F681 HydrophobicContact CD1-CZ 4.46Å; I666-F681 HydrophobicContact CG2-CZ 3.84Å; A667-F681 HydrophobicContact CB-CE2 4.15Å; V679-F681 HydrophobicContact CG1-CE2 3.94Å; V679-F681 HydrophobicContact CG1-CZ 4.37Å; F681-S683 VanDerWaalsContact C-N 3.3Å; F681-S683 PolarHBondContact O-N 3.44Å; F681-K684 PolarHBondContact O-N 2.79Å |
| 682 | M | 90.5 | Very high | 84.8 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.8 | -25.5 | -176.7 | -154.9 | 57.2 | 67.7 | 0 | 0 | 112.7 | F496 W500 Y502 Q503 K684 S685 R686 | F496-M682 HydrophobicContact CD1-CG 3.32Å; F496-M682 HydrophobicContact CD1-SD 3.86Å; F496-M682 HydrophobicContact CE1-CG 3.6Å; F496-M682 HydrophobicContact CE1-SD 3.48Å; F496-M682 WeakPolarHBondContact CE1-SD 3.23Å; F496-M682 HydrophobicContact CG-CG 4.45Å; W500-M682 HydrophobicContact CE3-CE 3.57Å; W500-M682 HydrophobicContact CE3-CG 4.16Å; W500-M682 HydrophobicContact CE3-SD 3.52Å; W500-M682 VanDerWaalsContact CE3-SD 3.52Å; W500-M682 HydrophobicContact CZ3-CE 3.63Å; W500-M682 HydrophobicContact CZ3-SD 3.5Å; W500-M682 VanDerWaalsContact CZ3-SD 3.5Å; Y502-M682 HydrophobicContact CD2-CE 3.95Å; Y502-M682 HydrophobicContact CE1-CE 4.37Å; Y502-M682 HydrophobicContact CE2-CE 3.07Å; Y502-M682 VanDerWaalsContact OH-CE 3.23Å; Y502-M682 WeakPolarHBondContact OH-CE 3.34Å; Q503-M682 PolarHBondContact O-N 3.2Å; M682-K684 PolarHBondContact O-N 2.92Å; M682-S685 PolarHBondContact O-N 2.93Å; M682-R686 WeakPolarHBondContact O-CB 3.22Å; M682-R686 PolarHBondContact O-N 2.84Å |
| 683 | S | 89.4 | Confident | 84.8 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -52 | -40.6 | 170.2 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | E663 F681 R686 D687 | E663-S683 VanDerWaalsContact OE1-CB 3.26Å; E663-S683 WeakPolarHBondContact OE1-CB 3.3Å; E663-S683 PolarHBondContact OE1-OG 2.95Å; E663-S683 PolarHBondContact OE2-OG 2.84Å; F681-S683 VanDerWaalsContact C-N 3.3Å; F681-S683 PolarHBondContact O-N 3.44Å; S683-R686 WeakPolarHBondContact O-CB 3.43Å; S683-R686 PolarHBondContact O-N 2.87Å; S683-D687 WeakPolarHBondContact O-CB 3.23Å; S683-D687 PolarHBondContact O-N 3.43Å |
| 684 | K | 83.3 | Confident | 84.8 | Confident | 77 Ų | 77 | 44 Ų | 44 | 34% | 0.335 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.9 | -45.2 | 179.1 | -170.8 | 62 | 176.6 | 177.2 | 0 | 112 | F681 M682 R686 D687 V688 | F681-K684 PolarHBondContact O-N 2.79Å; M682-K684 PolarHBondContact O-N 2.92Å; K684-R686 VanDerWaalsContact C-N 3.32Å; K684-D687 PolarHBondContact O-N 2.82Å; K684-V688 WeakPolarHBondContact O-CG2 3.43Å; K684-V688 PolarHBondContact O-N 2.86Å |
| 685 | S | 84.1 | Confident | 84.7 | Confident | 61 Ų | 61 | 40 Ų | 40 | 43% | 0.427 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.8 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | M682 L689 | M682-S685 PolarHBondContact O-N 2.93Å; S685-L689 WeakPolarHBondContact O-CB 3.31Å; S685-L689 PolarHBondContact O-N 3.16Å |
| 686 | R | 87.3 | Confident | 84.5 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 174.8 | -175.1 | -166.9 | -72.8 | 160.4 | -1.9 | 111.3 | V492 F496 D497 E657 M682 S683 K684 L689 K690 | V492-R686 HydrophobicContact CG1-CG 3.5Å; F496-R686 HydrophobicContact CB-CB 4.29Å; F496-R686 HydrophobicContact CB-CG 4.08Å; F496-R686 VanDerWaalsContact CB-NE 3.31Å; F496-R686 HydrophobicContact CD1-CB 4.42Å; F496-R686 HydrophobicContact CD2-CB 3.7Å; F496-R686 HydrophobicContact CD2-CG 3.72Å; F496-R686 HydrophobicContact CE2-CB 4.04Å; F496-R686 HydrophobicContact CE2-CG 4.4Å; F496-R686 HydrophobicContact CG-CB 3.89Å; F496-R686 HydrophobicContact CG-CG 4.05Å; F496-R686 PolarHBondContact O-NH2 3.44Å; D497-R686 IonicContact OD1-CZ 3.34Å; D497-R686 IonicContact OD1-NE 3.64Å; D497-R686 PolarHBondContact OD1-NE 3.14Å; D497-R686 IonicContact OD1-NH1 2.73Å; D497-R686 IonicContact OD1-NH2 2.71Å; D497-R686 PolarHBondContact OD1-NH2 3.35Å; E657-R686 IonicContact OE1-CZ 3.49Å; E657-R686 IonicContact OE1-NH1 3.3Å; E657-R686 PolarHBondContact OE1-NH1 2.94Å; E657-R686 IonicContact OE1-NH2 2.71Å; E657-R686 IonicContact OE2-CZ 3.63Å; E657-R686 IonicContact OE2-NH1 3.42Å; E657-R686 PolarHBondContact OE2-NH1 3.18Å; E657-R686 IonicContact OE2-NH2 3.77Å; M682-R686 WeakPolarHBondContact O-CB 3.22Å; M682-R686 PolarHBondContact O-N 2.84Å; S683-R686 WeakPolarHBondContact O-CB 3.43Å; S683-R686 PolarHBondContact O-N 2.87Å; K684-R686 VanDerWaalsContact C-N 3.32Å; R686-L689 PolarHBondContact O-N 2.65Å; R686-K690 WeakPolarHBondContact O-CB 3.47Å; R686-K690 PolarHBondContact O-N 3.13Å |
| 687 | D | 84.9 | Confident | 84.5 | Confident | 73 Ų | 73 | 38.8 Ų | 38.8 | 39% | 0.39 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.8 | -43.4 | -179.8 | -78.9 | -19.5 | 0 | 0 | 0 | 112.1 | S683 K684 L689 K690 D691 | S683-D687 WeakPolarHBondContact O-CB 3.23Å; S683-D687 PolarHBondContact O-N 3.43Å; K684-D687 PolarHBondContact O-N 2.82Å; D687-L689 PolarHBondContact O-N 2.93Å; D687-K690 WeakPolarHBondContact O-CB 3.13Å; D687-K690 PolarHBondContact O-N 2.81Å; D687-D691 WeakPolarHBondContact O-CB 3.42Å; D687-D691 PolarHBondContact O-N 3.08Å |
| 688 | V | 80.6 | Confident | 84.6 | Confident | 44 Ų | 44 | 41 Ų | 41 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | K684 K690 D691 T692 | K684-V688 WeakPolarHBondContact O-CG2 3.43Å; K684-V688 PolarHBondContact O-N 2.86Å; V688-K690 VanDerWaalsContact C-N 3.32Å; V688-K690 PolarHBondContact O-N 2.81Å; V688-D691 PolarHBondContact O-N 2.92Å; V688-T692 PolarHBondContact O-N 2.75Å; V688-T692 PolarHBondContact O-OG1 2.93Å |
| 689 | L | 83.3 | Confident | 84.6 | Confident | 35 Ų | 35 | 40 Ų | 40 | 18% | 0.183 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | 178.8 | -163.6 | 148.5 | 0 | 0 | 0 | 111.6 | I491 V492 F496 V626 S685 R686 D687 D691 T692 V693 | I491-L689 HydrophobicContact CB-CD2 4.39Å; I491-L689 HydrophobicContact CG2-CD1 4.15Å; I491-L689 HydrophobicContact CG2-CD2 3.8Å; V492-L689 HydrophobicContact CB-CD2 4.27Å; V492-L689 HydrophobicContact CG2-CD2 3.33Å; F496-L689 HydrophobicContact CE2-CB 4.18Å; F496-L689 HydrophobicContact CE2-CD1 4.11Å; V626-L689 HydrophobicContact CG2-CD1 3.54Å; S685-L689 WeakPolarHBondContact O-CB 3.31Å; S685-L689 PolarHBondContact O-N 3.16Å; R686-L689 PolarHBondContact O-N 2.65Å; D687-L689 PolarHBondContact O-N 2.93Å; L689-D691 PolarHBondContact O-N 2.97Å; L689-T692 PolarHBondContact O-N 2.84Å; L689-V693 HydrophobicContact CD2-CG2 3.84Å; L689-V693 WeakPolarHBondContact O-CB 3.46Å; L689-V693 VanDerWaalsContact O-CG2 3.3Å; L689-V693 WeakPolarHBondContact O-CG2 3.47Å; L689-V693 PolarHBondContact O-N 3.07Å |
| 690 | K | 86.9 | Confident | 84.6 | Confident | 95 Ų | 95 | 39.8 Ų | 39.8 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 177.4 | -178.9 | -179.4 | -179.8 | -178.8 | 0 | 112.5 | V492 R686 D687 V688 V693 R694 | V492-K690 HydrophobicContact CG1-CB 4.28Å; V492-K690 HydrophobicContact CG2-CB 4.14Å; R686-K690 WeakPolarHBondContact O-CB 3.47Å; R686-K690 PolarHBondContact O-N 3.13Å; D687-K690 WeakPolarHBondContact O-CB 3.13Å; D687-K690 PolarHBondContact O-N 2.81Å; V688-K690 VanDerWaalsContact C-N 3.32Å; V688-K690 PolarHBondContact O-N 2.81Å; K690-V693 PolarHBondContact O-N 3.22Å; K690-R694 WeakPolarHBondContact O-CB 3.47Å; K690-R694 PolarHBondContact O-N 3.14Å |
| 691 | D | 81.4 | Confident | 84.7 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.6 | -37.5 | 176.3 | -72.9 | -23.3 | 0 | 0 | 0 | 111.6 | I134 L377 D687 V688 L689 R694 S695 | I134-D691 HydrophobicContact CD1-CB 4.25Å; I134-D691 VanDerWaalsContact CD1-OD2 3.28Å; I134-D691 WeakPolarHBondContact CD1-OD2 3.31Å; L377-D691 HydrophobicContact CD2-CB 4.44Å; D687-D691 WeakPolarHBondContact O-CB 3.42Å; D687-D691 PolarHBondContact O-N 3.08Å; V688-D691 PolarHBondContact O-N 2.92Å; L689-D691 PolarHBondContact O-N 2.97Å; D691-R694 WeakPolarHBondContact O-CB 3.31Å; D691-R694 PolarHBondContact O-N 2.98Å; D691-R694 IonicContact OD1-CZ 2.67Å; D691-R694 VanDerWaalsContact OD1-CZ 3.3Å; D691-R694 IonicContact OD1-NH1 2.68Å; D691-R694 PolarHBondContact OD1-NH1 3.47Å; D691-R694 IonicContact OD1-NH2 3.34Å; D691-R694 PolarHBondContact OD1-NH2 3.18Å; D691-S695 PolarHBondContact O-N 3.09Å; D691-S695 PolarHBondContact O-OG 3.28Å; D691-S695 VanDerWaalsContact O-OG 3.05Å |
| 692 | T | 79.4 | Confident | 84.6 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 171.1 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | E284 V688 L689 S695 L696 | E284-T692 PolarHBondContact OE1-OG1 3.21Å; V688-T692 PolarHBondContact O-N 2.75Å; V688-T692 PolarHBondContact O-OG1 2.93Å; L689-T692 PolarHBondContact O-N 2.84Å; T692-S695 PolarHBondContact O-N 3.42Å; T692-L696 PolarHBondContact O-N 3.07Å |
| 693 | V | 84.2 | Confident | 84.5 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 172.4 | 164.2 | 0 | 0 | 0 | 0 | 111.8 | I488 V492 L689 K690 S695 L696 N697 | I488-V693 HydrophobicContact CG2-CB 4.46Å; I488-V693 HydrophobicContact CG2-CG1 4.34Å; I488-V693 HydrophobicContact CG2-CG2 3.95Å; I488-V693 WeakPolarHBondContact O-CG2 3.44Å; V492-V693 HydrophobicContact CG2-CB 4.49Å; V492-V693 HydrophobicContact CG2-CG2 4.06Å; L689-V693 HydrophobicContact CD2-CG2 3.84Å; L689-V693 WeakPolarHBondContact O-CB 3.46Å; L689-V693 VanDerWaalsContact O-CG2 3.3Å; L689-V693 WeakPolarHBondContact O-CG2 3.47Å; L689-V693 PolarHBondContact O-N 3.07Å; K690-V693 PolarHBondContact O-N 3.22Å; V693-S695 VanDerWaalsContact C-N 3.26Å; V693-S695 PolarHBondContact O-N 3.21Å; V693-L696 PolarHBondContact O-N 3.05Å; V693-N697 VanDerWaalsContact O-CG 3.28Å; V693-N697 PolarHBondContact O-N 2.91Å |
| 694 | R | 83.1 | Confident | 84.6 | Confident | 135 Ų | 135 | 43.5 Ų | 43.5 | 51% | 0.509 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 177 | -173.1 | -175.8 | -64 | 133 | 11 | 111.6 | K690 D691 N697 | K690-R694 WeakPolarHBondContact O-CB 3.47Å; K690-R694 PolarHBondContact O-N 3.14Å; D691-R694 WeakPolarHBondContact O-CB 3.31Å; D691-R694 PolarHBondContact O-N 2.98Å; D691-R694 IonicContact OD1-CZ 2.67Å; D691-R694 VanDerWaalsContact OD1-CZ 3.3Å; D691-R694 IonicContact OD1-NH1 2.68Å; D691-R694 PolarHBondContact OD1-NH1 3.47Å; D691-R694 IonicContact OD1-NH2 3.34Å; D691-R694 PolarHBondContact OD1-NH2 3.18Å; R694-N697 WeakPolarHBondContact O-CB 3.31Å; R694-N697 PolarHBondContact O-N 2.89Å |
| 695 | S | 76.9 | Confident | 85 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.5 | -40.6 | 178.3 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | L377 D691 T692 V693 N697 I698 | L377-S695 WeakPolarHBondContact CD1-OG 3.49Å; D691-S695 PolarHBondContact O-N 3.09Å; D691-S695 PolarHBondContact O-OG 3.28Å; D691-S695 VanDerWaalsContact O-OG 3.05Å; T692-S695 PolarHBondContact O-N 3.42Å; V693-S695 VanDerWaalsContact C-N 3.26Å; V693-S695 PolarHBondContact O-N 3.21Å; S695-N697 VanDerWaalsContact C-N 3.27Å; S695-N697 PolarHBondContact O-N 2.78Å; S695-I698 PolarHBondContact O-N 2.69Å |
| 696 | L | 81 | Confident | 85.2 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -34.5 | 172 | -73.7 | 169.5 | 0 | 0 | 0 | 112.3 | Y374 I488 T692 V693 I698 I699 M700 | Y374-L696 WeakPolarHBondContact OH-CD2 3.28Å; Y374-L696 VanDerWaalsContact OH-CG 3.25Å; Y374-L696 WeakPolarHBondContact OH-CG 3.34Å; I488-L696 HydrophobicContact CD1-CD1 4.46Å; I488-L696 HydrophobicContact CG2-CB 4.21Å; I488-L696 HydrophobicContact CG2-CD1 3.74Å; T692-L696 PolarHBondContact O-N 3.07Å; V693-L696 PolarHBondContact O-N 3.05Å; L696-I698 PolarHBondContact O-N 2.93Å; L696-I699 HydrophobicContact CD2-CD1 4.18Å; L696-I699 WeakPolarHBondContact O-CB 3.46Å; L696-I699 PolarHBondContact O-N 2.97Å; L696-I699 VanDerWaalsContact O-N 3.1Å; L696-M700 PolarHBondContact O-N 3.05Å; L696-M700 VanDerWaalsContact O-N 3.1Å |
| 697 | N | 85 | Confident | 85.4 | Confident | 35 Ų | 35 | 40.7 Ų | 40.7 | 19% | 0.187 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.1 | -30.5 | 177.8 | -75.4 | -21.3 | 0 | 0 | 0 | 113.3 | V693 R694 S695 I699 M700 W701 | V693-N697 VanDerWaalsContact O-CG 3.28Å; V693-N697 PolarHBondContact O-N 2.91Å; R694-N697 WeakPolarHBondContact O-CB 3.31Å; R694-N697 PolarHBondContact O-N 2.89Å; S695-N697 VanDerWaalsContact C-N 3.27Å; S695-N697 PolarHBondContact O-N 2.78Å; N697-I699 VanDerWaalsContact C-N 3.34Å; N697-M700 PolarHBondContact O-N 3.36Å; N697-W701 PolarHBondContact O-N 2.9Å |
| 698 | I | 84.5 | Confident | 85.7 | Confident | 65 Ų | 65 | 37.4 Ų | 37.4 | 33% | 0.333 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66 | -40.8 | 176.4 | -65.1 | 167.3 | 0 | 0 | 0 | 110.3 | A373 S695 L696 M700 W701 V702 | A373-I698 HydrophobicContact CB-CB 4.11Å; A373-I698 HydrophobicContact CB-CD1 3.56Å; A373-I698 HydrophobicContact CB-CG1 4.42Å; A373-I698 HydrophobicContact CB-CG2 3.73Å; S695-I698 PolarHBondContact O-N 2.69Å; L696-I698 PolarHBondContact O-N 2.93Å; I698-M700 VanDerWaalsContact C-N 3.32Å; I698-M700 PolarHBondContact O-N 3.13Å; I698-W701 WeakPolarHBondContact O-CB 3.5Å; I698-W701 PolarHBondContact O-N 3.22Å; I698-V702 WeakPolarHBondContact O-CG2 3.35Å; I698-V702 PolarHBondContact O-N 3.47Å |
| 699 | I | 83.5 | Confident | 86.2 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 174.7 | -63.5 | 153.8 | 0 | 0 | 0 | 110.3 | I292 I370 Y374 L696 N697 W701 V702 L703 | I292-I699 HydrophobicContact CD1-CD1 3.61Å; I292-I699 HydrophobicContact CG1-CD1 3.51Å; I370-I699 HydrophobicContact CG2-CG1 4.34Å; Y374-I699 HydrophobicContact CD2-CD1 4.42Å; Y374-I699 HydrophobicContact CE2-CD1 3.45Å; Y374-I699 VanDerWaalsContact CE2-CD1 3.45Å; Y374-I699 HydrophobicContact CE2-CG1 4.27Å; L696-I699 HydrophobicContact CD2-CD1 4.18Å; L696-I699 WeakPolarHBondContact O-CB 3.46Å; L696-I699 PolarHBondContact O-N 2.97Å; L696-I699 VanDerWaalsContact O-N 3.1Å; N697-I699 VanDerWaalsContact C-N 3.34Å; I699-W701 PolarHBondContact O-N 3.09Å; I699-V702 WeakPolarHBondContact O-CB 3.27Å; I699-V702 PolarHBondContact O-N 3.1Å; I699-V702 VanDerWaalsContact O-N 3.07Å; I699-L703 HydrophobicContact CG2-CD1 4.11Å; I699-L703 HydrophobicContact CG2-CG 4.27Å; I699-L703 WeakPolarHBondContact O-CG 3.37Å; I699-L703 PolarHBondContact O-N 2.93Å |
| 700 | M | 88.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -40.2 | 175.7 | -61.3 | -52.9 | 126.6 | 0 | 0 | 111.5 | L295 L484 R485 I488 L696 N697 I698 L703 I704 | L295-M700 HydrophobicContact CD1-CE 3.52Å; L295-M700 HydrophobicContact CD2-CE 3.99Å; L295-M700 HydrophobicContact CG-CE 4.41Å; L484-M700 HydrophobicContact CB-SD 3.52Å; L484-M700 VanDerWaalsContact CB-SD 3.52Å; L484-M700 HydrophobicContact CD1-SD 4.16Å; R485-M700 HydrophobicContact CB-CB 4.09Å; R485-M700 HydrophobicContact CB-CG 4.07Å; I488-M700 HydrophobicContact CD1-CE 4.09Å; L696-M700 PolarHBondContact O-N 3.05Å; L696-M700 VanDerWaalsContact O-N 3.1Å; N697-M700 PolarHBondContact O-N 3.36Å; I698-M700 VanDerWaalsContact C-N 3.32Å; I698-M700 PolarHBondContact O-N 3.13Å; M700-L703 HydrophobicContact CE-CD1 4.34Å; M700-L703 PolarHBondContact O-N 3.4Å; M700-L703 HydrophobicContact SD-CD1 4.26Å; M700-I704 WeakPolarHBondContact O-CB 3.43Å; M700-I704 WeakPolarHBondContact O-CD1 3.48Å; M700-I704 WeakPolarHBondContact O-CG1 3.32Å; M700-I704 PolarHBondContact O-N 3.4Å |
| 701 | W | 89.6 | Confident | 86.8 | Confident | 118 Ų | 118 | 35.2 Ų | 35.2 | 45% | 0.447 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 173 | -77.3 | 116.7 | 0 | 0 | 0 | 113.4 | F482 N697 I698 I699 L703 I704 V705 | F482-W701 HydrophobicContact CE1-CH2 4.29Å; F482-W701 HydrophobicContact CZ-CH2 4.43Å; F482-W701 HydrophobicContact CZ-CZ3 4.31Å; N697-W701 PolarHBondContact O-N 2.9Å; I698-W701 WeakPolarHBondContact O-CB 3.5Å; I698-W701 PolarHBondContact O-N 3.22Å; I699-W701 PolarHBondContact O-N 3.09Å; W701-L703 VanDerWaalsContact C-N 3.28Å; W701-L703 PolarHBondContact O-N 3.1Å; W701-I704 HydrophobicContact CE3-CB 4.47Å; W701-I704 HydrophobicContact CE3-CD1 4.27Å; W701-I704 HydrophobicContact CE3-CG2 4.4Å; W701-I704 HydrophobicContact CZ3-CG2 4.45Å; W701-I704 PolarHBondContact O-N 3.38Å; W701-V705 WeakPolarHBondContact O-CB 3.16Å; W701-V705 VanDerWaalsContact O-CG2 3.23Å; W701-V705 WeakPolarHBondContact O-CG2 3.39Å; W701-V705 PolarHBondContact O-N 3.05Å |
| 702 | V | 88.5 | Confident | 87.3 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | L366 I369 I698 I699 S706 | L366-V702 HydrophobicContact CD2-CG1 3.79Å; I369-V702 HydrophobicContact CG2-CG2 3.87Å; I698-V702 WeakPolarHBondContact O-CG2 3.35Å; I698-V702 PolarHBondContact O-N 3.47Å; I699-V702 WeakPolarHBondContact O-CB 3.27Å; I699-V702 PolarHBondContact O-N 3.1Å; I699-V702 VanDerWaalsContact O-N 3.07Å; V702-S706 VanDerWaalsContact O-CB 3.31Å; V702-S706 WeakPolarHBondContact O-CB 3.34Å; V702-S706 PolarHBondContact O-N 3.2Å; V702-S706 PolarHBondContact O-OG 3.38Å |
| 703 | L | 87.9 | Confident | 87.9 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68 | -44.9 | 177.1 | -63.5 | 175.6 | 0 | 0 | 0 | 112 | F299 I699 M700 W701 S706 A707 | F299-L703 HydrophobicContact CD1-CD2 3.63Å; F299-L703 HydrophobicContact CE1-CB 4.06Å; F299-L703 HydrophobicContact CE1-CD2 3.5Å; F299-L703 VanDerWaalsContact CE1-CD2 3.5Å; F299-L703 HydrophobicContact CE1-CG 4.28Å; F299-L703 HydrophobicContact CE2-CB 4.44Å; F299-L703 HydrophobicContact CG-CD2 4.27Å; F299-L703 HydrophobicContact CZ-CB 3.83Å; F299-L703 HydrophobicContact CZ-CD2 4.11Å; F299-L703 HydrophobicContact CZ-CG 4.42Å; I699-L703 HydrophobicContact CG2-CD1 4.11Å; I699-L703 HydrophobicContact CG2-CG 4.27Å; I699-L703 WeakPolarHBondContact O-CG 3.37Å; I699-L703 PolarHBondContact O-N 2.93Å; M700-L703 HydrophobicContact CE-CD1 4.34Å; M700-L703 PolarHBondContact O-N 3.4Å; M700-L703 HydrophobicContact SD-CD1 4.26Å; W701-L703 VanDerWaalsContact C-N 3.28Å; W701-L703 PolarHBondContact O-N 3.1Å; L703-S706 PolarHBondContact O-N 3.05Å; L703-A707 WeakPolarHBondContact O-CB 3.39Å; L703-A707 PolarHBondContact O-N 3.47Å |
| 704 | I | 91.5 | Very high | 88.2 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.4 | -69.5 | 163 | 0 | 0 | 0 | 110.8 | F482 M700 W701 A707 G708 | F482-I704 HydrophobicContact CD1-CD1 4.05Å; F482-I704 HydrophobicContact CD2-CD1 4.02Å; F482-I704 HydrophobicContact CD2-CG1 4.37Å; F482-I704 HydrophobicContact CE1-CD1 4.1Å; F482-I704 HydrophobicContact CE2-CD1 4.05Å; F482-I704 HydrophobicContact CE2-CG1 4.42Å; F482-I704 HydrophobicContact CE2-CG2 3.91Å; F482-I704 HydrophobicContact CG-CD1 4Å; F482-I704 HydrophobicContact CZ-CD1 4.09Å; F482-I704 HydrophobicContact CZ-CG2 4.25Å; M700-I704 WeakPolarHBondContact O-CB 3.43Å; M700-I704 WeakPolarHBondContact O-CD1 3.48Å; M700-I704 WeakPolarHBondContact O-CG1 3.32Å; M700-I704 PolarHBondContact O-N 3.4Å; W701-I704 HydrophobicContact CE3-CB 4.47Å; W701-I704 HydrophobicContact CE3-CD1 4.27Å; W701-I704 HydrophobicContact CE3-CG2 4.4Å; W701-I704 HydrophobicContact CZ3-CG2 4.45Å; W701-I704 PolarHBondContact O-N 3.38Å; I704-A707 PolarHBondContact O-N 3.02Å; I704-G708 PolarHBondContact O-N 3.3Å |
| 705 | V | 92 | Very high | 88.6 | Confident | 84 Ų | 84 | 33.6 Ų | 33.6 | 51% | 0.509 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | W701 A707 G708 L709 | W701-V705 WeakPolarHBondContact O-CB 3.16Å; W701-V705 VanDerWaalsContact O-CG2 3.23Å; W701-V705 WeakPolarHBondContact O-CG2 3.39Å; W701-V705 PolarHBondContact O-N 3.05Å; V705-A707 VanDerWaalsContact C-N 3.33Å; V705-A707 PolarHBondContact O-N 3.45Å; V705-G708 PolarHBondContact O-N 3.22Å; V705-L709 HydrophobicContact CG1-CD1 4.29Å; V705-L709 WeakPolarHBondContact O-CG 3.25Å; V705-L709 PolarHBondContact O-N 2.98Å |
| 706 | S | 89.4 | Confident | 89.3 | Confident | 36 Ų | 36 | 36.8 Ų | 36.8 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | V702 L703 L709 L710 | V702-S706 VanDerWaalsContact O-CB 3.31Å; V702-S706 WeakPolarHBondContact O-CB 3.34Å; V702-S706 PolarHBondContact O-N 3.2Å; V702-S706 PolarHBondContact O-OG 3.38Å; L703-S706 PolarHBondContact O-N 3.05Å; S706-L709 PolarHBondContact O-N 3.1Å; S706-L710 PolarHBondContact O-N 2.91Å |
| 707 | A | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F303 M477 I478 L703 I704 V705 L710 A711 | F303-A707 HydrophobicContact CZ-CB 4.21Å; M477-A707 HydrophobicContact CB-CB 3.84Å; I478-A707 HydrophobicContact CG1-CB 3.88Å; L703-A707 WeakPolarHBondContact O-CB 3.39Å; L703-A707 PolarHBondContact O-N 3.47Å; I704-A707 PolarHBondContact O-N 3.02Å; V705-A707 VanDerWaalsContact C-N 3.33Å; V705-A707 PolarHBondContact O-N 3.45Å; A707-L710 PolarHBondContact O-N 3.41Å; A707-A711 WeakPolarHBondContact O-CB 3.48Å; A707-A711 PolarHBondContact O-N 3.43Å |
| 708 | G | 91.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | I704 V705 L710 A711 F712 F803 | I704-G708 PolarHBondContact O-N 3.3Å; V705-G708 PolarHBondContact O-N 3.22Å; G708-L710 VanDerWaalsContact C-N 3.35Å; G708-A711 WeakPolarHBondContact O-CB 3.46Å; G708-A711 PolarHBondContact O-N 3.32Å; G708-F712 PolarHBondContact O-N 2.95Å; G708-F803 WeakPolarHBondContact O-CE2 3.42Å; G708-F803 WeakPolarHBondContact O-CZ 3.18Å |
| 709 | L | 90.6 | Very high | 89.9 | Confident | 106 Ų | 106 | 35 Ų | 35 | 56% | 0.555 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.2 | -42.7 | 174.4 | -73.5 | 172.7 | 0 | 0 | 0 | 111.6 | V705 S706 F712 I713 | V705-L709 HydrophobicContact CG1-CD1 4.29Å; V705-L709 WeakPolarHBondContact O-CG 3.25Å; V705-L709 PolarHBondContact O-N 2.98Å; S706-L709 PolarHBondContact O-N 3.1Å; L709-F712 PolarHBondContact O-N 3.08Å; L709-I713 WeakPolarHBondContact O-CG1 3.45Å; L709-I713 PolarHBondContact O-N 3.12Å; L709-I713 VanDerWaalsContact O-N 3.13Å |
| 710 | L | 91.3 | Very high | 90.1 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -49.4 | 172 | -177.8 | 70.7 | 0 | 0 | 0 | 110.4 | F303 I306 M477 S706 A707 G708 F712 I713 V714 | F303-L710 HydrophobicContact CD1-CB 4.39Å; F303-L710 HydrophobicContact CD1-CD1 4.38Å; F303-L710 HydrophobicContact CD1-CD2 3.64Å; F303-L710 HydrophobicContact CD1-CG 4.34Å; F303-L710 HydrophobicContact CE1-CB 3.71Å; F303-L710 HydrophobicContact CE1-CD1 4.5Å; F303-L710 HydrophobicContact CE1-CD2 3.67Å; F303-L710 HydrophobicContact CE1-CG 4.14Å; F303-L710 HydrophobicContact CG-CD2 4.19Å; F303-L710 HydrophobicContact CZ-CB 4.3Å; F303-L710 HydrophobicContact CZ-CD2 4.18Å; I306-L710 HydrophobicContact CB-CD2 4.38Å; I306-L710 HydrophobicContact CD1-CD2 4.36Å; I306-L710 HydrophobicContact CG2-CD2 4.18Å; M477-L710 HydrophobicContact SD-CD2 4.21Å; S706-L710 PolarHBondContact O-N 2.91Å; A707-L710 PolarHBondContact O-N 3.41Å; G708-L710 VanDerWaalsContact C-N 3.35Å; L710-F712 VanDerWaalsContact C-N 3.27Å; L710-F712 PolarHBondContact O-N 3.18Å; L710-I713 PolarHBondContact O-N 3Å; L710-I713 VanDerWaalsContact O-N 3.08Å; L710-V714 HydrophobicContact CD1-CG2 4.01Å; L710-V714 HydrophobicContact CG-CG2 4.03Å; L710-V714 WeakPolarHBondContact O-CB 3.5Å; L710-V714 VanDerWaalsContact O-CG2 3.27Å; L710-V714 WeakPolarHBondContact O-CG2 3.5Å; L710-V714 PolarHBondContact O-N 3.26Å |
| 711 | A | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.5 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C474 I478 A707 G708 V714 L715 F803 | C474-A711 HydrophobicContact CB-CB 3.68Å; I478-A711 HydrophobicContact CD1-CB 4.23Å; A707-A711 WeakPolarHBondContact O-CB 3.48Å; A707-A711 PolarHBondContact O-N 3.43Å; G708-A711 WeakPolarHBondContact O-CB 3.46Å; G708-A711 PolarHBondContact O-N 3.32Å; A711-V714 PolarHBondContact O-N 3.38Å; A711-L715 WeakPolarHBondContact O-CB 3.36Å; A711-L715 WeakPolarHBondContact O-CD1 3.47Å; A711-L715 WeakPolarHBondContact O-CG 3.48Å; A711-L715 PolarHBondContact O-N 3.43Å; A711-F803 HydrophobicContact CB-CD2 4.23Å |
| 712 | F | 91.7 | Very high | 89.5 | Confident | 65 Ų | 65 | 31.6 Ų | 31.6 | 29% | 0.285 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 176 | 176.3 | -104.9 | 0 | 0 | 0 | 112.4 | G708 L709 L710 V714 L715 Y716 F803 V806 V807 I810 | G708-F712 PolarHBondContact O-N 2.95Å; L709-F712 PolarHBondContact O-N 3.08Å; L710-F712 VanDerWaalsContact C-N 3.27Å; L710-F712 PolarHBondContact O-N 3.18Å; F712-V714 PolarHBondContact O-N 3Å; F712-L715 PolarHBondContact O-N 2.91Å; F712-Y716 VanDerWaalsContact O-CB 3.25Å; F712-Y716 WeakPolarHBondContact O-CB 3.44Å; F712-Y716 PolarHBondContact O-N 3.13Å; F712-F803 HydrophobicContact CB-CD1 3.88Å; F712-F803 HydrophobicContact CB-CE1 4.07Å; F712-F803 HydrophobicContact CB-CG 4.41Å; F712-F803 HydrophobicContact CD2-CD1 4Å; F712-F803 HydrophobicContact CG-CD1 4.36Å; F712-V806 HydrophobicContact CE2-CG1 3.96Å; F712-V807 HydrophobicContact CD2-CG2 3.99Å; F712-V807 HydrophobicContact CE2-CG2 3.95Å; F712-I810 HydrophobicContact CE2-CD1 4.2Å; F712-I810 HydrophobicContact CZ-CD1 4.11Å |
| 713 | I | 90.8 | Very high | 89.2 | Confident | 89 Ų | 89 | 30.8 Ų | 30.8 | 46% | 0.456 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 179.5 | -66.8 | 166.7 | 0 | 0 | 0 | 110.8 | L709 L710 Y716 N717 | L709-I713 WeakPolarHBondContact O-CG1 3.45Å; L709-I713 PolarHBondContact O-N 3.12Å; L709-I713 VanDerWaalsContact O-N 3.13Å; L710-I713 PolarHBondContact O-N 3Å; L710-I713 VanDerWaalsContact O-N 3.08Å; I713-Y716 PolarHBondContact O-N 3.48Å; I713-N717 WeakPolarHBondContact O-CB 3.28Å; I713-N717 PolarHBondContact O-N 3.19Å; I713-N717 PolarHBondContact O-ND2 2.71Å |
| 714 | V | 91.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -49 | -179.6 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | I306 V310 L710 A711 F712 Y716 N717 L718 | I306-V714 HydrophobicContact CG2-CG2 3.96Å; V310-V714 HydrophobicContact CG2-CB 4.28Å; V310-V714 HydrophobicContact CG2-CG1 3.89Å; V310-V714 HydrophobicContact CG2-CG2 3.76Å; L710-V714 HydrophobicContact CD1-CG2 4.01Å; L710-V714 HydrophobicContact CG-CG2 4.03Å; L710-V714 WeakPolarHBondContact O-CB 3.5Å; L710-V714 VanDerWaalsContact O-CG2 3.27Å; L710-V714 WeakPolarHBondContact O-CG2 3.5Å; L710-V714 PolarHBondContact O-N 3.26Å; A711-V714 PolarHBondContact O-N 3.38Å; F712-V714 PolarHBondContact O-N 3Å; V714-Y716 PolarHBondContact O-N 3.48Å; V714-N717 PolarHBondContact O-N 3.29Å; V714-L718 HydrophobicContact CG1-CD1 3.53Å; V714-L718 HydrophobicContact CG1-CG 4.32Å; V714-L718 WeakPolarHBondContact O-CB 3.48Å; V714-L718 VanDerWaalsContact O-CG 3.24Å; V714-L718 WeakPolarHBondContact O-CG 3.42Å; V714-L718 PolarHBondContact O-N 3.5Å |
| 715 | L | 91.5 | Very high | 88 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 177.4 | -76 | 169.5 | 0 | 0 | 0 | 111.6 | I471 A711 F712 T719 F803 V807 | I471-L715 HydrophobicContact CD1-CD2 3.57Å; I471-L715 HydrophobicContact CG1-CD2 3.52Å; A711-L715 WeakPolarHBondContact O-CB 3.36Å; A711-L715 WeakPolarHBondContact O-CD1 3.47Å; A711-L715 WeakPolarHBondContact O-CG 3.48Å; A711-L715 PolarHBondContact O-N 3.43Å; F712-L715 PolarHBondContact O-N 2.91Å; L715-T719 WeakPolarHBondContact O-CB 3.15Å; L715-T719 PolarHBondContact O-N 3.11Å; L715-T719 PolarHBondContact O-OG1 2.95Å; L715-F803 HydrophobicContact CD1-CB 3.62Å; L715-V807 HydrophobicContact CB-CG2 4.04Å |
| 716 | Y | 91.6 | Very high | 87.4 | Confident | 75 Ų | 75 | 30 Ų | 30 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60 | -51.3 | 177.1 | 176.3 | -96.3 | 0 | 0 | 0 | 111.3 | F712 I713 V714 T719 N720 I810 M811 | F712-Y716 VanDerWaalsContact O-CB 3.25Å; F712-Y716 WeakPolarHBondContact O-CB 3.44Å; F712-Y716 PolarHBondContact O-N 3.13Å; I713-Y716 PolarHBondContact O-N 3.48Å; V714-Y716 PolarHBondContact O-N 3.48Å; Y716-T719 PolarHBondContact O-N 3.02Å; Y716-N720 WeakPolarHBondContact O-CB 3.43Å; Y716-N720 PolarHBondContact O-N 3.07Å; Y716-I810 HydrophobicContact CE2-CG2 4.02Å; Y716-M811 HydrophobicContact CE2-SD 4.38Å |
| 717 | N | 89.3 | Confident | 86.9 | Confident | 40 Ų | 40 | 30.8 Ų | 30.8 | 21% | 0.214 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | -178.6 | -78.7 | -23.3 | 0 | 0 | 0 | 112 | V310 I713 V714 T719 N720 I721 | V310-N717 HydrophobicContact CG1-CB 4.17Å; I713-N717 WeakPolarHBondContact O-CB 3.28Å; I713-N717 PolarHBondContact O-N 3.19Å; I713-N717 PolarHBondContact O-ND2 2.71Å; V714-N717 PolarHBondContact O-N 3.29Å; N717-T719 PolarHBondContact O-N 2.74Å; N717-N720 PolarHBondContact O-N 3.26Å; N717-I721 WeakPolarHBondContact O-CB 3.29Å; N717-I721 WeakPolarHBondContact O-CG1 3.4Å; N717-I721 PolarHBondContact O-N 3.18Å |
| 718 | L | 87.7 | Confident | 86.2 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 179.5 | -69.1 | 168.7 | 0 | 0 | 0 | 112 | T467 V714 I721 N722 | T467-L718 HydrophobicContact CG2-CB 4.46Å; T467-L718 HydrophobicContact CG2-CD1 4.37Å; V714-L718 HydrophobicContact CG1-CD1 3.53Å; V714-L718 HydrophobicContact CG1-CG 4.32Å; V714-L718 WeakPolarHBondContact O-CB 3.48Å; V714-L718 VanDerWaalsContact O-CG 3.24Å; V714-L718 WeakPolarHBondContact O-CG 3.42Å; V714-L718 PolarHBondContact O-N 3.5Å; L718-I721 PolarHBondContact O-N 3.13Å; L718-N722 WeakPolarHBondContact O-CB 3.43Å; L718-N722 PolarHBondContact O-N 3.22Å |
| 719 | T | 86.2 | Confident | 85.6 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 9% | 0.092 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | L715 Y716 N717 N722 I723 N751 V807 M811 | L715-T719 WeakPolarHBondContact O-CB 3.15Å; L715-T719 PolarHBondContact O-N 3.11Å; L715-T719 PolarHBondContact O-OG1 2.95Å; Y716-T719 PolarHBondContact O-N 3.02Å; N717-T719 PolarHBondContact O-N 2.74Å; T719-N722 PolarHBondContact O-N 3.3Å; T719-I723 HydrophobicContact CG2-CD1 4.2Å; T719-I723 PolarHBondContact O-N 2.91Å; T719-N751 WeakPolarHBondContact CG2-ND2 3.48Å; T719-V807 HydrophobicContact CG2-CG1 4.09Å; T719-M811 HydrophobicContact CG2-CG 3.84Å |
| 720 | N | 86.1 | Confident | 85.2 | Confident | 32 Ų | 32 | 33.7 Ų | 33.7 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 175.5 | -179.8 | 18.9 | 0 | 0 | 0 | 111.5 | Y716 N717 N722 I723 S724 M811 R814 | Y716-N720 WeakPolarHBondContact O-CB 3.43Å; Y716-N720 PolarHBondContact O-N 3.07Å; N717-N720 PolarHBondContact O-N 3.26Å; N720-N722 VanDerWaalsContact C-N 3.33Å; N720-N722 PolarHBondContact O-N 2.75Å; N720-I723 PolarHBondContact O-N 2.86Å; N720-S724 WeakPolarHBondContact O-CB 3.17Å; N720-S724 PolarHBondContact O-N 3.17Å; N720-M811 HydrophobicContact CB-CE 4.33Å; N720-R814 VanDerWaalsContact CG-NH1 3.26Å; N720-R814 VanDerWaalsContact OD1-CZ 3.25Å; N720-R814 PolarHBondContact OD1-NH1 3.46Å; N720-R814 PolarHBondContact OD1-NH2 3.41Å |
| 721 | I | 84.7 | Confident | 84.7 | Confident | 21 Ų | 21 | 32.7 Ų | 32.7 | 11% | 0.108 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 175 | -68.5 | 165.2 | 0 | 0 | 0 | 110.3 | R317 N717 L718 I723 S724 E725 | R317-I721 HydrophobicContact CG-CG1 4.47Å; N717-I721 WeakPolarHBondContact O-CB 3.29Å; N717-I721 WeakPolarHBondContact O-CG1 3.4Å; N717-I721 PolarHBondContact O-N 3.18Å; L718-I721 PolarHBondContact O-N 3.13Å; I721-I723 VanDerWaalsContact C-N 3.31Å; I721-I723 PolarHBondContact O-N 3.02Å; I721-S724 PolarHBondContact O-N 3.02Å; I721-E725 HydrophobicContact CG2-CG 4.24Å; I721-E725 WeakPolarHBondContact O-CB 3.43Å; I721-E725 WeakPolarHBondContact O-CG 3.49Å; I721-E725 PolarHBondContact O-N 2.8Å |
| 722 | N | 82.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.8 | -42.8 | 178.1 | -171.3 | 16.9 | 0 | 0 | 0 | 112.2 | R463 L718 T719 N720 R726 N751 | R463-N722 PolarHBondContact NE-OD1 3.13Å; L718-N722 WeakPolarHBondContact O-CB 3.43Å; L718-N722 PolarHBondContact O-N 3.22Å; T719-N722 PolarHBondContact O-N 3.3Å; N720-N722 VanDerWaalsContact C-N 3.33Å; N720-N722 PolarHBondContact O-N 2.75Å; N722-R726 WeakPolarHBondContact O-CB 3.29Å; N722-R726 WeakPolarHBondContact O-CD 3.34Å; N722-R726 WeakPolarHBondContact O-CG 3.05Å; N722-R726 WeakPolarHBondContact OD1-CD 3.46Å; N722-R726 PolarHBondContact OD1-NE 2.85Å; N722-R726 VanDerWaalsContact OD1-NE 3.13Å; N722-N751 PolarHBondContact ND2-OD1 3.34Å |
| 723 | I | 82.3 | Confident | 83.8 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.2 | -43.3 | 178.2 | -71.8 | 171.3 | 0 | 0 | 0 | 111.3 | T719 N720 I721 R726 I727 L730 V747 M811 L815 I818 | T719-I723 HydrophobicContact CG2-CD1 4.2Å; T719-I723 PolarHBondContact O-N 2.91Å; N720-I723 PolarHBondContact O-N 2.86Å; I721-I723 VanDerWaalsContact C-N 3.31Å; I721-I723 PolarHBondContact O-N 3.02Å; I723-R726 CarbonylContact O-C 3.36Å; I723-R726 PolarHBondContact O-N 3.38Å; I723-I727 PolarHBondContact O-N 2.91Å; I723-I727 VanDerWaalsContact O-N 3.08Å; I723-L730 HydrophobicContact CG2-CD1 4.33Å; I723-V747 HydrophobicContact CD1-CG1 4.07Å; I723-V747 HydrophobicContact CG1-CG1 3.98Å; I723-M811 HydrophobicContact CB-CE 3.96Å; I723-M811 HydrophobicContact CD1-CB 3.79Å; I723-M811 HydrophobicContact CD1-CE 3.31Å; I723-M811 HydrophobicContact CD1-CG 4.12Å; I723-M811 HydrophobicContact CG1-CE 4.14Å; I723-M811 HydrophobicContact CG2-CE 4.2Å; I723-L815 HydrophobicContact CD1-CD1 4.09Å; I723-L815 HydrophobicContact CD1-CD2 3.87Å; I723-L815 HydrophobicContact CD1-CG 3.99Å; I723-L815 HydrophobicContact CG1-CD2 4.05Å; I723-L815 HydrophobicContact CG2-CD2 3.64Å; I723-I818 HydrophobicContact CG2-CD1 4.48Å |
| 724 | S | 79.2 | Confident | 83.4 | Confident | 19 Ų | 19 | 29.9 Ų | 29.9 | 13% | 0.133 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | -179.9 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | R317 E321 N720 I721 R726 I727 | R317-S724 PolarHBondContact NH2-O 2.74Å; R317-S724 PolarHBondContact NH2-OG 2.79Å; E321-S724 PolarHBondContact OE1-OG 3.42Å; N720-S724 WeakPolarHBondContact O-CB 3.17Å; N720-S724 PolarHBondContact O-N 3.17Å; I721-S724 PolarHBondContact O-N 3.02Å; S724-R726 PolarHBondContact O-N 2.91Å; S724-I727 WeakPolarHBondContact O-CB 3.33Å; S724-I727 WeakPolarHBondContact O-CG2 3.42Å; S724-I727 PolarHBondContact O-N 3.06Å |
| 725 | E | 75.5 | Confident | 83.1 | Confident | 77 Ų | 77 | 33.2 Ų | 33.2 | 36% | 0.36 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.3 | -26.8 | 177.9 | -76 | -177.2 | 179.1 | 0 | 0 | 113.4 | R463 I721 | R463-E725 WeakPolarHBondContact CD-OE2 3.32Å; R463-E725 IonicContact NH1-OE2 3.72Å; I721-E725 HydrophobicContact CG2-CG 4.24Å; I721-E725 WeakPolarHBondContact O-CB 3.43Å; I721-E725 WeakPolarHBondContact O-CG 3.49Å; I721-E725 PolarHBondContact O-N 2.8Å |
| 726 | R | 78.2 | Confident | 82.7 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 7.2 | -176.2 | -66.1 | 174.7 | 171.5 | -153.7 | -6.3 | 113.2 | N456 N722 I723 S724 R728 E729 L730 E750 | N456-R726 VanDerWaalsContact ND2-CZ 3.27Å; N456-R726 PolarHBondContact ND2-NH1 2.79Å; N456-R726 PolarHBondContact ND2-NH2 2.83Å; N722-R726 WeakPolarHBondContact O-CB 3.29Å; N722-R726 WeakPolarHBondContact O-CD 3.34Å; N722-R726 WeakPolarHBondContact O-CG 3.05Å; N722-R726 WeakPolarHBondContact OD1-CD 3.46Å; N722-R726 PolarHBondContact OD1-NE 2.85Å; N722-R726 VanDerWaalsContact OD1-NE 3.13Å; I723-R726 CarbonylContact O-C 3.36Å; I723-R726 PolarHBondContact O-N 3.38Å; S724-R726 PolarHBondContact O-N 2.91Å; R726-R728 PolarHBondContact O-N 3.44Å; R726-R728 VanDerWaalsContact O-N 3.12Å; R726-E729 HydrophobicContact CB-CB 4.46Å; R726-E729 WeakPolarHBondContact O-CA 3.36Å; R726-E729 WeakPolarHBondContact O-CB 3.47Å; R726-E729 PolarHBondContact O-N 3.45Å; R726-L730 HydrophobicContact CB-CD1 4.24Å; R726-L730 HydrophobicContact CB-CG 4.2Å; R726-L730 WeakPolarHBondContact O-CG 3.47Å; R726-L730 PolarHBondContact O-N 2.82Å; R726-E750 IonicContact CZ-OE1 3.66Å; R726-E750 VanDerWaalsContact CZ-OE1 3.31Å; R726-E750 IonicContact CZ-OE2 3.47Å; R726-E750 IonicContact NH1-OE1 3.18Å; R726-E750 IonicContact NH1-OE2 3.51Å; R726-E750 PolarHBondContact NH1-OE2 3.12Å; R726-E750 IonicContact NH2-OE1 2.66Å; R726-E750 PolarHBondContact NH2-OE1 2.96Å; R726-E750 IonicContact NH2-OE2 3.14Å; R726-E750 PolarHBondContact NH2-OE2 2.55Å |
| 727 | I | 79.1 | Confident | 82.3 | Confident | 52 Ų | 52 | 38.1 Ų | 38.1 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -49.2 | -46.2 | -175.7 | -165.3 | 69.5 | 0 | 0 | 0 | 111.2 | I723 S724 L730 S731 I818 | I723-I727 PolarHBondContact O-N 2.91Å; I723-I727 VanDerWaalsContact O-N 3.08Å; S724-I727 WeakPolarHBondContact O-CB 3.33Å; S724-I727 WeakPolarHBondContact O-CG2 3.42Å; S724-I727 PolarHBondContact O-N 3.06Å; I727-L730 PolarHBondContact O-N 2.94Å; I727-S731 WeakPolarHBondContact O-CB 3.24Å; I727-S731 PolarHBondContact O-N 3Å; I727-S731 PolarHBondContact O-OG 2.81Å; I727-S731 VanDerWaalsContact O-OG 3.11Å; I727-I818 HydrophobicContact CD1-CB 4.19Å; I727-I818 HydrophobicContact CD1-CD1 3.62Å; I727-I818 HydrophobicContact CD1-CG1 3.56Å; I727-I818 HydrophobicContact CD1-CG2 3.68Å; I727-I818 HydrophobicContact CG1-CG2 4.37Å |
| 728 | R | 75.9 | Confident | 81.9 | Confident | 124 Ų | 124 | 41 Ų | 41 | 47% | 0.468 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 177 | -171.3 | 178.4 | 65.1 | 174.3 | -2.2 | 113.3 | R726 L730 S731 T732 T823 | R726-R728 PolarHBondContact O-N 3.44Å; R726-R728 VanDerWaalsContact O-N 3.12Å; R728-L730 VanDerWaalsContact C-N 3.34Å; R728-S731 PolarHBondContact O-N 2.88Å; R728-T732 PolarHBondContact O-N 2.76Å; R728-T732 PolarHBondContact O-OG1 2.87Å; R728-T823 HydrophobicContact CG-CG2 4.31Å; R728-T823 PolarHBondContact O-OG1 2.75Å |
| 729 | E | 79.3 | Confident | 81.8 | Confident | 47 Ų | 47 | 48.9 Ų | 48.9 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.4 | -176.5 | -174.7 | 157.4 | 0 | 0 | 110.6 | N456 R726 T732 I733 | N456-E729 PolarHBondContact ND2-OE1 2.94Å; N456-E729 PolarHBondContact ND2-OE2 3.39Å; R726-E729 HydrophobicContact CB-CB 4.46Å; R726-E729 WeakPolarHBondContact O-CA 3.36Å; R726-E729 WeakPolarHBondContact O-CB 3.47Å; R726-E729 PolarHBondContact O-N 3.45Å; E729-T732 PolarHBondContact O-N 2.79Å; E729-I733 HydrophobicContact CG-CD1 4.12Å; E729-I733 VanDerWaalsContact O-CG1 3.24Å; E729-I733 WeakPolarHBondContact O-CG1 3.2Å; E729-I733 PolarHBondContact O-N 3.26Å |
| 730 | L | 83 | Confident | 81.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 178.5 | -62.5 | 172.6 | 0 | 0 | 0 | 111.4 | I723 R726 I727 R728 I733 K734 V743 Y746 V747 L815 I818 | I723-L730 HydrophobicContact CG2-CD1 4.33Å; R726-L730 HydrophobicContact CB-CD1 4.24Å; R726-L730 HydrophobicContact CB-CG 4.2Å; R726-L730 WeakPolarHBondContact O-CG 3.47Å; R726-L730 PolarHBondContact O-N 2.82Å; I727-L730 PolarHBondContact O-N 2.94Å; R728-L730 VanDerWaalsContact C-N 3.34Å; L730-I733 PolarHBondContact O-N 3.07Å; L730-K734 WeakPolarHBondContact O-CG 3.36Å; L730-K734 PolarHBondContact O-N 2.84Å; L730-V743 HydrophobicContact CB-CG1 4.28Å; L730-V743 HydrophobicContact CD2-CG1 3.77Å; L730-Y746 HydrophobicContact CD2-CD1 4.4Å; L730-V747 HydrophobicContact CD1-CG2 4.23Å; L730-V747 HydrophobicContact CD2-CG2 3.64Å; L730-L815 HydrophobicContact CD1-CD2 3.87Å; L730-I818 HydrophobicContact CB-CD1 4.41Å; L730-I818 HydrophobicContact CD1-CD1 4.1Å |
| 731 | S | 81.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 173.7 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | I727 R728 I733 K734 V735 I818 D819 T823 | I727-S731 WeakPolarHBondContact O-CB 3.24Å; I727-S731 PolarHBondContact O-N 3Å; I727-S731 PolarHBondContact O-OG 2.81Å; I727-S731 VanDerWaalsContact O-OG 3.11Å; R728-S731 PolarHBondContact O-N 2.88Å; S731-I733 VanDerWaalsContact C-N 3.34Å; S731-I733 PolarHBondContact O-N 2.79Å; S731-K734 PolarHBondContact O-N 3.44Å; S731-V735 WeakPolarHBondContact O-CG2 3.48Å; S731-V735 PolarHBondContact O-N 3.29Å; S731-I818 WeakPolarHBondContact OG-CG2 3.44Å; S731-D819 PolarHBondContact OG-O 2.99Å; S731-T823 WeakPolarHBondContact CB-OG1 3.31Å |
| 732 | T | 81.9 | Confident | 81.3 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 172 | -56 | 0 | 0 | 0 | 0 | 111.6 | R728 E729 K734 V735 L736 T823 | R728-T732 PolarHBondContact O-N 2.76Å; R728-T732 PolarHBondContact O-OG1 2.87Å; E729-T732 PolarHBondContact O-N 2.79Å; T732-K734 VanDerWaalsContact C-N 3.31Å; T732-K734 PolarHBondContact O-N 2.84Å; T732-V735 PolarHBondContact O-N 3.37Å; T732-L736 HydrophobicContact CG2-CD1 4.26Å; T732-L736 WeakPolarHBondContact O-CG 3.3Å; T732-L736 PolarHBondContact O-N 3.44Å; T732-T823 VanDerWaalsContact OG1-CG2 3.32Å; T732-T823 WeakPolarHBondContact OG1-CG2 3.49Å |
| 733 | I | 82.1 | Confident | 81.3 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 177.8 | -69.7 | 166.8 | 0 | 0 | 0 | 110.6 | E729 L730 S731 L736 F738 V743 | E729-I733 HydrophobicContact CG-CD1 4.12Å; E729-I733 VanDerWaalsContact O-CG1 3.24Å; E729-I733 WeakPolarHBondContact O-CG1 3.2Å; E729-I733 PolarHBondContact O-N 3.26Å; L730-I733 PolarHBondContact O-N 3.07Å; S731-I733 VanDerWaalsContact C-N 3.34Å; S731-I733 PolarHBondContact O-N 2.79Å; I733-L736 PolarHBondContact O-N 3.14Å; I733-F738 HydrophobicContact CG2-CB 3.62Å; I733-F738 HydrophobicContact CG2-CD1 3.69Å; I733-F738 HydrophobicContact CG2-CD2 3.59Å; I733-F738 HydrophobicContact CG2-CE1 4.22Å; I733-F738 HydrophobicContact CG2-CE2 4.13Å; I733-F738 HydrophobicContact CG2-CG 3.34Å; I733-F738 HydrophobicContact CG2-CZ 4.43Å; I733-F738 WeakPolarHBondContact O-CB 3.47Å; I733-F738 VanDerWaalsContact O-CD2 3.23Å; I733-F738 WeakPolarHBondContact O-CD2 3.39Å; I733-F738 PolarHBondContact O-N 3.1Å; I733-V743 HydrophobicContact CG2-CG2 4.07Å |
| 734 | K | 83 | Confident | 81.3 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 173.6 | -74.9 | -168.8 | -177.7 | -160 | 0 | 112.9 | L730 S731 T732 L736 G737 D740 V743 L815 I818 M820 | L730-K734 WeakPolarHBondContact O-CG 3.36Å; L730-K734 PolarHBondContact O-N 2.84Å; S731-K734 PolarHBondContact O-N 3.44Å; T732-K734 VanDerWaalsContact C-N 3.31Å; T732-K734 PolarHBondContact O-N 2.84Å; K734-L736 PolarHBondContact O-N 3.49Å; K734-G737 PolarHBondContact O-N 2.9Å; K734-D740 VanDerWaalsContact CE-OD1 3.27Å; K734-D740 WeakPolarHBondContact CE-OD1 3.33Å; K734-D740 IonicContact NZ-OD1 2.96Å; K734-D740 PolarHBondContact NZ-OD1 2.94Å; K734-V743 HydrophobicContact CG-CG2 3.78Å; K734-L815 PolarHBondContact NZ-O 3.48Å; K734-I818 PolarHBondContact NZ-O 3.27Å; K734-M820 HydrophobicContact CB-CE 4.01Å; K734-M820 HydrophobicContact CB-CG 3.85Å; K734-M820 HydrophobicContact CB-SD 4.09Å; K734-M820 HydrophobicContact CD-CE 4.06Å; K734-M820 HydrophobicContact CD-CG 4.14Å; K734-M820 HydrophobicContact CG-CE 4.45Å |
| 735 | V | 83.9 | Confident | 81.5 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -33.7 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | S731 T732 G737 M820 | S731-V735 WeakPolarHBondContact O-CG2 3.48Å; S731-V735 PolarHBondContact O-N 3.29Å; T732-V735 PolarHBondContact O-N 3.37Å; V735-G737 PolarHBondContact O-N 3.27Å; V735-M820 HydrophobicContact CG2-CB 4.02Å |
| 736 | L | 83.2 | Confident | 81.8 | Confident | 130 Ų | 130 | 59 Ų | 59 | 68% | 0.681 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 1.1 | 174.5 | -68.9 | 171.8 | 0 | 0 | 0 | 114 | T732 I733 K734 F738 | T732-L736 HydrophobicContact CG2-CD1 4.26Å; T732-L736 WeakPolarHBondContact O-CG 3.3Å; T732-L736 PolarHBondContact O-N 3.44Å; I733-L736 PolarHBondContact O-N 3.14Å; K734-L736 PolarHBondContact O-N 3.49Å; L736-F738 HydrophobicContact CB-CD2 4.47Å |
| 737 | G | 83.6 | Confident | 82.1 | Confident | 53 Ų | 53 | 59 Ų | 59 | 55% | 0.546 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | 10.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | K734 V735 | K734-G737 PolarHBondContact O-N 2.9Å; V735-G737 PolarHBondContact O-N 3.27Å |
| 738 | F | 82.1 | Confident | 82.3 | Confident | 100 Ų | 100 | 59.4 Ų | 59.4 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | trans | -72.2 | 133.5 | 174.7 | -76.7 | -114.6 | 0 | 0 | 0 | 111 | I733 L736 E742 V743 | I733-F738 HydrophobicContact CG2-CB 3.62Å; I733-F738 HydrophobicContact CG2-CD1 3.69Å; I733-F738 HydrophobicContact CG2-CD2 3.59Å; I733-F738 HydrophobicContact CG2-CE1 4.22Å; I733-F738 HydrophobicContact CG2-CE2 4.13Å; I733-F738 HydrophobicContact CG2-CG 3.34Å; I733-F738 HydrophobicContact CG2-CZ 4.43Å; I733-F738 WeakPolarHBondContact O-CB 3.47Å; I733-F738 VanDerWaalsContact O-CD2 3.23Å; I733-F738 WeakPolarHBondContact O-CD2 3.39Å; I733-F738 PolarHBondContact O-N 3.1Å; L736-F738 HydrophobicContact CB-CD2 4.47Å; F738-E742 WeakPolarHBondContact CA-OE2 3.31Å; F738-E742 HydrophobicContact CB-CB 4.46Å; F738-E742 HydrophobicContact CD1-CB 3.98Å; F738-V743 HydrophobicContact CB-CG2 3.96Å | ||
| 739 | Y | 84.4 | Confident | 82.8 | Confident | 179 Ų | 179 | 58.1 Ų | 58.1 | 70% | 0.702 | 29% | 0.291 | S | S | * | . | trans | -71.4 | 155.1 | 175.2 | -62.9 | -80.9 | 0 | 0 | 0 | 111.4 | G741 E742 V743 | Y739-G741 PolarHBondContact O-N 3.09Å; Y739-G741 VanDerWaalsContact O-N 3.1Å; Y739-E742 PolarHBondContact N-OE2 2.9Å; Y739-E742 WeakPolarHBondContact O-CA 3.31Å; Y739-E742 WeakPolarHBondContact O-CB 3.31Å; Y739-E742 PolarHBondContact O-N 3.33Å; Y739-V743 PolarHBondContact O-N 3.45Å; Y739-V743 VanDerWaalsContact O-N 3.12Å | ||
| 740 | D | 82 | Confident | 83.1 | Confident | 58 Ų | 58 | 56 Ų | 56 | 31% | 0.31 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -50.8 | -40.5 | 177.8 | -77.2 | -31.1 | 0 | 0 | 0 | 112.7 | K734 E742 V743 V744 K816 | K734-D740 VanDerWaalsContact CE-OD1 3.27Å; K734-D740 WeakPolarHBondContact CE-OD1 3.33Å; K734-D740 IonicContact NZ-OD1 2.96Å; K734-D740 PolarHBondContact NZ-OD1 2.94Å; D740-E742 VanDerWaalsContact C-N 3.3Å; D740-E742 PolarHBondContact O-N 3.01Å; D740-V743 PolarHBondContact O-N 2.78Å; D740-V744 WeakPolarHBondContact O-CB 3.43Å; D740-V744 WeakPolarHBondContact O-CG2 3.4Å; D740-V744 PolarHBondContact O-N 2.93Å; D740-K816 HydrophobicContact CB-CG 4.37Å |
| 741 | G | 81.1 | Confident | 83.3 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -30.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y739 R745 | Y739-G741 PolarHBondContact O-N 3.09Å; Y739-G741 VanDerWaalsContact O-N 3.1Å; G741-R745 VanDerWaalsContact O-CB 3.25Å; G741-R745 WeakPolarHBondContact O-CB 3.2Å; G741-R745 PolarHBondContact O-N 3.37Å |
| 742 | E | 83.7 | Confident | 83.7 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -77.7 | -42.9 | 178.7 | -60.7 | -178 | 126.8 | 0 | 0 | 111.4 | F738 Y739 D740 V744 R745 Y746 | F738-E742 WeakPolarHBondContact CA-OE2 3.31Å; F738-E742 HydrophobicContact CB-CB 4.46Å; F738-E742 HydrophobicContact CD1-CB 3.98Å; Y739-E742 PolarHBondContact N-OE2 2.9Å; Y739-E742 WeakPolarHBondContact O-CA 3.31Å; Y739-E742 WeakPolarHBondContact O-CB 3.31Å; Y739-E742 PolarHBondContact O-N 3.33Å; D740-E742 VanDerWaalsContact C-N 3.3Å; D740-E742 PolarHBondContact O-N 3.01Å; E742-V744 VanDerWaalsContact C-N 3.31Å; E742-V744 PolarHBondContact O-N 3.45Å; E742-R745 PolarHBondContact O-N 3.24Å; E742-Y746 WeakPolarHBondContact O-CB 3.34Å; E742-Y746 PolarHBondContact O-N 2.95Å |
| 743 | V | 81.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 173.8 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | L730 I733 K734 F738 Y739 D740 Y746 V747 | L730-V743 HydrophobicContact CB-CG1 4.28Å; L730-V743 HydrophobicContact CD2-CG1 3.77Å; I733-V743 HydrophobicContact CG2-CG2 4.07Å; K734-V743 HydrophobicContact CG-CG2 3.78Å; F738-V743 HydrophobicContact CB-CG2 3.96Å; Y739-V743 PolarHBondContact O-N 3.45Å; Y739-V743 VanDerWaalsContact O-N 3.12Å; D740-V743 PolarHBondContact O-N 2.78Å; V743-Y746 WeakPolarHBondContact O-CB 3.26Å; V743-Y746 PolarHBondContact O-N 3.25Å; V743-V747 PolarHBondContact O-N 3.2Å; V743-V747 VanDerWaalsContact O-N 3.13Å |
| 744 | V | 83.3 | Confident | 84.5 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.1 | -52.8 | 174.7 | 163.6 | 0 | 0 | 0 | 0 | 110.7 | D740 E742 Y746 V747 Y748 Y812 L815 | D740-V744 WeakPolarHBondContact O-CB 3.43Å; D740-V744 WeakPolarHBondContact O-CG2 3.4Å; D740-V744 PolarHBondContact O-N 2.93Å; E742-V744 VanDerWaalsContact C-N 3.31Å; E742-V744 PolarHBondContact O-N 3.45Å; V744-Y746 PolarHBondContact O-N 2.79Å; V744-V747 PolarHBondContact O-N 2.97Å; V744-V747 VanDerWaalsContact O-N 3.14Å; V744-Y748 HydrophobicContact CG1-CD2 3.34Å; V744-Y748 HydrophobicContact CG1-CE2 3.3Å; V744-Y748 VanDerWaalsContact O-CD2 3.24Å; V744-Y748 WeakPolarHBondContact O-CD2 3.41Å; V744-Y748 PolarHBondContact O-N 3.35Å; V744-Y812 HydrophobicContact CB-CD2 4.33Å; V744-Y812 HydrophobicContact CG1-CD2 3.73Å; V744-Y812 HydrophobicContact CG1-CE2 4.23Å; V744-Y812 HydrophobicContact CG2-CD2 3.74Å; V744-Y812 HydrophobicContact CG2-CE2 4.14Å; V744-L815 HydrophobicContact CB-CD1 4.43Å; V744-L815 HydrophobicContact CG2-CB 3.94Å; V744-L815 HydrophobicContact CG2-CD1 3.8Å |
| 745 | R | 83.2 | Confident | 85 | Confident | 159 Ų | 159 | 59.4 Ų | 59.4 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.7 | -34.8 | 180 | -173.4 | -178.9 | -69.3 | 168 | -3 | 112.1 | G741 E742 R749 | G741-R745 VanDerWaalsContact O-CB 3.25Å; G741-R745 WeakPolarHBondContact O-CB 3.2Å; G741-R745 PolarHBondContact O-N 3.37Å; E742-R745 PolarHBondContact O-N 3.24Å; R745-R749 VanDerWaalsContact O-CG 3.3Å; R745-R749 WeakPolarHBondContact O-CG 3.29Å; R745-R749 PolarHBondContact O-N 2.84Å; R745-R749 VanDerWaalsContact O-N 3.11Å |
| 746 | Y | 82 | Confident | 85.5 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 11% | 0.114 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 174.5 | 175.2 | -101.2 | 0 | 0 | 0 | 111.8 | V452 N456 L730 E742 V743 V744 R749 | V452-Y746 HydrophobicContact CG1-CE2 4.08Å; N456-Y746 WeakPolarHBondContact CB-OH 3.32Å; N456-Y746 PolarHBondContact ND2-OH 3.43Å; L730-Y746 HydrophobicContact CD2-CD1 4.4Å; E742-Y746 WeakPolarHBondContact O-CB 3.34Å; E742-Y746 PolarHBondContact O-N 2.95Å; V743-Y746 WeakPolarHBondContact O-CB 3.26Å; V743-Y746 PolarHBondContact O-N 3.25Å; V744-Y746 PolarHBondContact O-N 2.79Å; Y746-R749 PolarHBondContact O-N 3.12Å |
| 747 | V | 83 | Confident | 86.1 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | I723 L730 V743 V744 R749 E750 N751 L815 | I723-V747 HydrophobicContact CD1-CG1 4.07Å; I723-V747 HydrophobicContact CG1-CG1 3.98Å; L730-V747 HydrophobicContact CD1-CG2 4.23Å; L730-V747 HydrophobicContact CD2-CG2 3.64Å; V743-V747 PolarHBondContact O-N 3.2Å; V743-V747 VanDerWaalsContact O-N 3.13Å; V744-V747 PolarHBondContact O-N 2.97Å; V744-V747 VanDerWaalsContact O-N 3.14Å; V747-R749 VanDerWaalsContact C-N 3.35Å; V747-R749 PolarHBondContact O-N 3.44Å; V747-E750 PolarHBondContact O-N 3.1Å; V747-N751 PolarHBondContact O-N 3.05Å; V747-L815 HydrophobicContact CB-CD1 4.3Å; V747-L815 HydrophobicContact CG1-CD1 4.48Å; V747-L815 HydrophobicContact CG2-CD1 4.38Å |
| 748 | Y | 84.6 | Confident | 86.6 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 178.2 | -91.4 | -72.3 | 0 | 0 | 0 | 113.1 | V744 E750 N751 I752 G808 I809 | V744-Y748 HydrophobicContact CG1-CD2 3.34Å; V744-Y748 HydrophobicContact CG1-CE2 3.3Å; V744-Y748 VanDerWaalsContact O-CD2 3.24Å; V744-Y748 WeakPolarHBondContact O-CD2 3.41Å; V744-Y748 PolarHBondContact O-N 3.35Å; Y748-E750 PolarHBondContact O-N 3.18Å; Y748-N751 PolarHBondContact O-N 3.25Å; Y748-I752 WeakPolarHBondContact O-CB 3.16Å; Y748-I752 WeakPolarHBondContact O-CG1 3.4Å; Y748-I752 PolarHBondContact O-N 2.96Å; Y748-G808 VanDerWaalsContact CE1-CA 3.5Å; Y748-G808 VanDerWaalsContact OH-CA 3.31Å; Y748-G808 WeakPolarHBondContact OH-CA 3.41Å; Y748-G808 PolarHBondContact OH-O 2.86Å; Y748-I809 PolarHBondContact OH-N 2.95Å |
| 749 | R | 85.6 | Confident | 87.3 | Confident | 97 Ų | 97 | 50.6 Ų | 50.6 | 37% | 0.366 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.2 | -39.5 | 177.9 | -78.4 | 173.5 | 177.7 | -176.2 | 0.5 | 111.8 | S449 R745 Y746 V747 L753 | S449-R749 PolarHBondContact OG-NH1 2.88Å; R745-R749 VanDerWaalsContact O-CG 3.3Å; R745-R749 WeakPolarHBondContact O-CG 3.29Å; R745-R749 PolarHBondContact O-N 2.84Å; R745-R749 VanDerWaalsContact O-N 3.11Å; Y746-R749 PolarHBondContact O-N 3.12Å; V747-R749 VanDerWaalsContact C-N 3.35Å; V747-R749 PolarHBondContact O-N 3.44Å; R749-L753 WeakPolarHBondContact O-CB 3.33Å; R749-L753 VanDerWaalsContact O-CG 3.22Å; R749-L753 WeakPolarHBondContact O-CG 3.49Å; R749-L753 PolarHBondContact O-N 2.85Å; R749-L753 VanDerWaalsContact O-N 3.08Å |
| 750 | E | 85.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -48.5 | 176.1 | -175.3 | 167.6 | 153.5 | 0 | 0 | 112.2 | T453 L457 R463 R726 V747 Y748 I752 L753 L754 | T453-E750 HydrophobicContact CG2-CB 4.1Å; L457-E750 HydrophobicContact CD1-CG 3.81Å; R463-E750 IonicContact NH2-OE1 3.97Å; R463-E750 PolarHBondContact NH2-OE1 2.83Å; R726-E750 IonicContact CZ-OE1 3.66Å; R726-E750 VanDerWaalsContact CZ-OE1 3.31Å; R726-E750 IonicContact CZ-OE2 3.47Å; R726-E750 IonicContact NH1-OE1 3.18Å; R726-E750 IonicContact NH1-OE2 3.51Å; R726-E750 PolarHBondContact NH1-OE2 3.12Å; R726-E750 IonicContact NH2-OE1 2.66Å; R726-E750 PolarHBondContact NH2-OE1 2.96Å; R726-E750 IonicContact NH2-OE2 3.14Å; R726-E750 PolarHBondContact NH2-OE2 2.55Å; V747-E750 PolarHBondContact O-N 3.1Å; Y748-E750 PolarHBondContact O-N 3.18Å; E750-I752 VanDerWaalsContact C-N 3.3Å; E750-I752 PolarHBondContact O-N 3.49Å; E750-L753 PolarHBondContact O-N 2.81Å; E750-L754 HydrophobicContact CG-CD1 3.94Å; E750-L754 HydrophobicContact CG-CG 4.37Å; E750-L754 WeakPolarHBondContact O-CG 3.44Å; E750-L754 PolarHBondContact O-N 3.25Å |
| 751 | N | 87.3 | Confident | 88.6 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.3 | -38.7 | -179.7 | -69.1 | -17.9 | 0 | 0 | 0 | 111.8 | T719 N722 V747 Y748 L754 T755 | T719-N751 WeakPolarHBondContact CG2-ND2 3.48Å; N722-N751 PolarHBondContact ND2-OD1 3.34Å; V747-N751 PolarHBondContact O-N 3.05Å; Y748-N751 PolarHBondContact O-N 3.25Å; N751-L754 PolarHBondContact O-N 3.12Å; N751-T755 VanDerWaalsContact O-CB 3.27Å; N751-T755 WeakPolarHBondContact O-CB 3.34Å; N751-T755 PolarHBondContact O-N 2.81Å; N751-T755 PolarHBondContact O-OG1 2.72Å |
| 752 | I | 89.9 | Confident | 89.3 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 42% | 0.415 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65 | -44.6 | 175.3 | -69 | 166.4 | 0 | 0 | 0 | 110.3 | Y748 E750 L754 T755 L756 | Y748-I752 WeakPolarHBondContact O-CB 3.16Å; Y748-I752 WeakPolarHBondContact O-CG1 3.4Å; Y748-I752 PolarHBondContact O-N 2.96Å; E750-I752 VanDerWaalsContact C-N 3.3Å; E750-I752 PolarHBondContact O-N 3.49Å; I752-L754 PolarHBondContact O-N 3.33Å; I752-T755 PolarHBondContact O-N 3.08Å; I752-L756 HydrophobicContact CG2-CD1 3.98Å; I752-L756 HydrophobicContact CG2-CG 4.33Å; I752-L756 WeakPolarHBondContact O-CB 3.06Å; I752-L756 VanDerWaalsContact O-CG 3.3Å; I752-L756 WeakPolarHBondContact O-CG 3.03Å; I752-L756 PolarHBondContact O-N 3.38Å |
| 753 | L | 90.3 | Very high | 89.9 | Confident | 69 Ų | 69 | 44.2 Ų | 44.2 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 176.4 | -74.5 | 171.2 | 0 | 0 | 0 | 111.9 | T453 R749 E750 T755 L756 M757 | T453-L753 HydrophobicContact CG2-CD1 4.19Å; R749-L753 WeakPolarHBondContact O-CB 3.33Å; R749-L753 VanDerWaalsContact O-CG 3.22Å; R749-L753 WeakPolarHBondContact O-CG 3.49Å; R749-L753 PolarHBondContact O-N 2.85Å; R749-L753 VanDerWaalsContact O-N 3.08Å; E750-L753 PolarHBondContact O-N 2.81Å; L753-T755 VanDerWaalsContact C-N 3.32Å; L753-T755 PolarHBondContact O-N 3.3Å; L753-L756 PolarHBondContact O-N 3.23Å; L753-M757 WeakPolarHBondContact O-CB 3.4Å; L753-M757 VanDerWaalsContact O-CG 3.27Å; L753-M757 WeakPolarHBondContact O-CG 3.5Å; L753-M757 PolarHBondContact O-N 2.54Å |
| 754 | L | 91.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 175.6 | -71.3 | 171.2 | 0 | 0 | 0 | 111.8 | L457 M464 T467 I468 E750 N751 I752 M757 G758 | L457-L754 HydrophobicContact CD1-CD1 4.29Å; L457-L754 HydrophobicContact CD1-CD2 3.54Å; L457-L754 HydrophobicContact CD1-CG 3.72Å; L457-L754 HydrophobicContact CG-CD2 4.45Å; M464-L754 HydrophobicContact CB-CD2 4.28Å; M464-L754 HydrophobicContact CG-CD2 3.6Å; T467-L754 HydrophobicContact CG2-CB 4.03Å; T467-L754 HydrophobicContact CG2-CD1 3.96Å; T467-L754 HydrophobicContact CG2-CG 4.47Å; I468-L754 HydrophobicContact CD1-CD2 4.26Å; I468-L754 HydrophobicContact CG1-CD2 4.04Å; E750-L754 HydrophobicContact CG-CD1 3.94Å; E750-L754 HydrophobicContact CG-CG 4.37Å; E750-L754 WeakPolarHBondContact O-CG 3.44Å; E750-L754 PolarHBondContact O-N 3.25Å; N751-L754 PolarHBondContact O-N 3.12Å; I752-L754 PolarHBondContact O-N 3.33Å; L754-M757 PolarHBondContact O-N 3.15Å; L754-G758 PolarHBondContact O-N 2.96Å |
| 755 | T | 92.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | N751 I752 L753 M757 G758 I759 T800 L801 T804 | N751-T755 VanDerWaalsContact O-CB 3.27Å; N751-T755 WeakPolarHBondContact O-CB 3.34Å; N751-T755 PolarHBondContact O-N 2.81Å; N751-T755 PolarHBondContact O-OG1 2.72Å; I752-T755 PolarHBondContact O-N 3.08Å; L753-T755 VanDerWaalsContact C-N 3.32Å; L753-T755 PolarHBondContact O-N 3.3Å; T755-M757 PolarHBondContact O-N 3.14Å; T755-G758 CarbonylContact O-C 3.37Å; T755-G758 PolarHBondContact O-N 3.36Å; T755-I759 HydrophobicContact CG2-CD1 3.82Å; T755-I759 HydrophobicContact CG2-CG1 4.28Å; T755-I759 WeakPolarHBondContact O-CB 3.46Å; T755-I759 VanDerWaalsContact O-CG1 3.28Å; T755-I759 WeakPolarHBondContact O-CG1 3.37Å; T755-I759 PolarHBondContact O-N 3.21Å; T755-T800 HydrophobicContact CG2-CG2 4.32Å; T755-L801 HydrophobicContact CG2-CD2 4.34Å; T755-T804 HydrophobicContact CG2-CG2 4.17Å; T755-T804 VanDerWaalsContact CG2-OG1 3.31Å; T755-T804 WeakPolarHBondContact CG2-OG1 3.47Å; T755-T804 WeakPolarHBondContact OG1-CG2 3.49Å; T755-T804 PolarHBondContact OG1-OG1 3.26Å |
| 756 | L | 94.7 | Very high | 91.7 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 42% | 0.424 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.4 | -70.7 | 172.8 | 0 | 0 | 0 | 111.7 | I752 L753 G758 I759 L760 | I752-L756 HydrophobicContact CG2-CD1 3.98Å; I752-L756 HydrophobicContact CG2-CG 4.33Å; I752-L756 WeakPolarHBondContact O-CB 3.06Å; I752-L756 VanDerWaalsContact O-CG 3.3Å; I752-L756 WeakPolarHBondContact O-CG 3.03Å; I752-L756 PolarHBondContact O-N 3.38Å; L753-L756 PolarHBondContact O-N 3.23Å; L756-G758 VanDerWaalsContact C-N 3.34Å; L756-I759 PolarHBondContact O-N 2.95Å; L756-L760 WeakPolarHBondContact O-CG 3.42Å; L756-L760 PolarHBondContact O-N 2.68Å |
| 757 | M | 94.9 | Very high | 92.3 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 38% | 0.379 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 173.2 | -70 | 175.5 | 75.1 | 0 | 0 | 111.7 | I468 L753 L754 T755 L761 | I468-M757 HydrophobicContact CD1-CB 4.17Å; I468-M757 HydrophobicContact CD1-CE 3.58Å; I468-M757 HydrophobicContact CD1-SD 4.13Å; I468-M757 HydrophobicContact CG1-CB 4.12Å; L753-M757 WeakPolarHBondContact O-CB 3.4Å; L753-M757 VanDerWaalsContact O-CG 3.27Å; L753-M757 WeakPolarHBondContact O-CG 3.5Å; L753-M757 PolarHBondContact O-N 2.54Å; L754-M757 PolarHBondContact O-N 3.15Å; T755-M757 PolarHBondContact O-N 3.14Å; M757-L761 WeakPolarHBondContact O-CB 3.37Å; M757-L761 PolarHBondContact O-N 3.23Å |
| 758 | G | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A472 L754 T755 L756 G762 | A472-G758 VanDerWaalsContact CA-O 3.27Å; A472-G758 WeakPolarHBondContact CA-O 3.48Å; A472-G758 WeakPolarHBondContact CB-O 3.42Å; L754-G758 PolarHBondContact O-N 2.96Å; T755-G758 CarbonylContact O-C 3.37Å; T755-G758 PolarHBondContact O-N 3.36Å; L756-G758 VanDerWaalsContact C-N 3.34Å; G758-G762 WeakPolarHBondContact O-CA 3.39Å; G758-G762 PolarHBondContact O-N 3.34Å |
| 759 | I | 96.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -50.8 | 175.1 | -71.4 | 167.8 | 0 | 0 | 0 | 109.7 | M475 T755 L756 L761 G762 L763 T800 L801 | M475-I759 HydrophobicContact CE-CG2 4.21Å; M475-I759 HydrophobicContact SD-CG1 4.36Å; M475-I759 HydrophobicContact SD-CG2 4.5Å; T755-I759 HydrophobicContact CG2-CD1 3.82Å; T755-I759 HydrophobicContact CG2-CG1 4.28Å; T755-I759 WeakPolarHBondContact O-CB 3.46Å; T755-I759 VanDerWaalsContact O-CG1 3.28Å; T755-I759 WeakPolarHBondContact O-CG1 3.37Å; T755-I759 PolarHBondContact O-N 3.21Å; L756-I759 PolarHBondContact O-N 2.95Å; I759-L761 VanDerWaalsContact C-N 3.33Å; I759-L761 PolarHBondContact O-N 3.45Å; I759-G762 CarbonylContact O-C 3.49Å; I759-G762 PolarHBondContact O-N 3.2Å; I759-G762 VanDerWaalsContact O-N 3.16Å; I759-L763 HydrophobicContact CG2-CD1 3.86Å; I759-L763 HydrophobicContact CG2-CG 4.17Å; I759-L763 WeakPolarHBondContact O-CB 3.42Å; I759-L763 WeakPolarHBondContact O-CG 3.29Å; I759-L763 PolarHBondContact O-N 2.95Å; I759-T800 HydrophobicContact CD1-CG2 4.15Å; I759-T800 HydrophobicContact CG1-CG2 3.89Å; I759-L801 HydrophobicContact CD1-CD2 3.91Å; I759-L801 HydrophobicContact CD1-CG 3.87Å |
| 760 | L | 96.8 | Very high | 93.5 | Very high | 120 Ų | 120 | 47.1 Ų | 47.1 | 63% | 0.628 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -57.8 | -45.4 | 179.5 | -73.9 | 170.4 | 0 | 0 | 0 | 112.3 | L756 | L756-L760 WeakPolarHBondContact O-CG 3.42Å; L756-L760 PolarHBondContact O-N 2.68Å |
| 761 | L | 97 | Very high | 93.7 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 176.5 | -176.4 | 63.1 | 0 | 0 | 0 | 111.6 | I468 A472 M757 I759 L763 V764 L765 | I468-L761 HydrophobicContact CG2-CD2 3.67Å; A472-L761 HydrophobicContact CB-CB 3.99Å; A472-L761 HydrophobicContact CB-CD2 3.97Å; A472-L761 HydrophobicContact CB-CG 3.95Å; M757-L761 WeakPolarHBondContact O-CB 3.37Å; M757-L761 PolarHBondContact O-N 3.23Å; I759-L761 VanDerWaalsContact C-N 3.33Å; I759-L761 PolarHBondContact O-N 3.45Å; L761-L763 VanDerWaalsContact C-N 3.32Å; L761-L763 PolarHBondContact O-N 3.45Å; L761-V764 PolarHBondContact O-N 3.05Å; L761-L765 HydrophobicContact CD1-CG 4.45Å; L761-L765 HydrophobicContact CG-CD1 4.08Å; L761-L765 HydrophobicContact CG-CG 4.34Å; L761-L765 WeakPolarHBondContact O-CG 3.17Å; L761-L765 PolarHBondContact O-N 2.99Å |
| 762 | G | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A472 I479 G758 I759 V764 L765 G766 | A472-G762 VanDerWaalsContact O-CA 3.28Å; A472-G762 WeakPolarHBondContact O-CA 3.49Å; I479-G762 WeakPolarHBondContact CD1-O 3.49Å; G758-G762 WeakPolarHBondContact O-CA 3.39Å; G758-G762 PolarHBondContact O-N 3.34Å; I759-G762 CarbonylContact O-C 3.49Å; I759-G762 PolarHBondContact O-N 3.2Å; I759-G762 VanDerWaalsContact O-N 3.16Å; G762-V764 VanDerWaalsContact C-N 3.34Å; G762-L765 PolarHBondContact O-N 3.48Å; G762-G766 WeakPolarHBondContact O-CA 3.5Å; G762-G766 PolarHBondContact O-N 3.48Å |
| 763 | L | 96.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 50.5 Ų | 50.5 | 20% | 0.199 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 171.9 | -71.2 | 166.9 | 0 | 0 | 0 | 111.5 | M475 I479 I759 L761 K767 Y793 | M475-L763 HydrophobicContact CE-CD2 3.52Å; M475-L763 HydrophobicContact CE-CG 4.01Å; I479-L763 VanDerWaalsContact CD1-CA 3.49Å; I479-L763 HydrophobicContact CD1-CB 4.38Å; I479-L763 HydrophobicContact CD1-CD2 3.69Å; I479-L763 HydrophobicContact CD1-CG 4.23Å; I479-L763 HydrophobicContact CG1-CD2 4.34Å; I759-L763 HydrophobicContact CG2-CD1 3.86Å; I759-L763 HydrophobicContact CG2-CG 4.17Å; I759-L763 WeakPolarHBondContact O-CB 3.42Å; I759-L763 WeakPolarHBondContact O-CG 3.29Å; I759-L763 PolarHBondContact O-N 2.95Å; L761-L763 VanDerWaalsContact C-N 3.32Å; L761-L763 PolarHBondContact O-N 3.45Å; L763-K767 PolarHBondContact O-N 3Å; L763-Y793 HydrophobicContact CD2-CD1 3.48Å; L763-Y793 VanDerWaalsContact CD2-CD1 3.48Å; L763-Y793 HydrophobicContact CD2-CE1 4.4Å; L763-Y793 HydrophobicContact CD2-CG 4.21Å |
| 764 | V | 96.3 | Very high | 93.7 | Very high | 88 Ų | 88 | 47.5 Ų | 47.5 | 53% | 0.533 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.3 | -47.5 | 177.3 | 178.4 | 0 | 0 | 0 | 0 | 111 | L761 G762 G766 K767 I768 | L761-V764 PolarHBondContact O-N 3.05Å; G762-V764 VanDerWaalsContact C-N 3.34Å; V764-G766 VanDerWaalsContact C-N 3.34Å; V764-G766 PolarHBondContact O-N 3.33Å; V764-K767 PolarHBondContact O-N 2.74Å; V764-I768 HydrophobicContact CG1-CD1 4.3Å; V764-I768 WeakPolarHBondContact O-CG1 3.37Å; V764-I768 PolarHBondContact O-N 3.17Å |
| 765 | L | 95 | Very high | 93.3 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 179 | -69.3 | -178.6 | 0 | 0 | 0 | 111.9 | A472 L761 G762 K767 I768 E769 | A472-L765 HydrophobicContact CB-CD1 4.16Å; L761-L765 HydrophobicContact CD1-CG 4.45Å; L761-L765 HydrophobicContact CG-CD1 4.08Å; L761-L765 HydrophobicContact CG-CG 4.34Å; L761-L765 WeakPolarHBondContact O-CG 3.17Å; L761-L765 PolarHBondContact O-N 2.99Å; G762-L765 PolarHBondContact O-N 3.48Å; L765-K767 VanDerWaalsContact C-N 3.33Å; L765-K767 PolarHBondContact O-N 3.27Å; L765-I768 PolarHBondContact O-N 2.82Å; L765-I768 VanDerWaalsContact O-N 3.14Å; L765-E769 WeakPolarHBondContact O-CB 3.33Å; L765-E769 PolarHBondContact O-N 3.16Å |
| 766 | G | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G762 V764 H770 | G762-G766 WeakPolarHBondContact O-CA 3.5Å; G762-G766 PolarHBondContact O-N 3.48Å; V764-G766 VanDerWaalsContact C-N 3.34Å; V764-G766 PolarHBondContact O-N 3.33Å; G766-H770 WeakPolarHBondContact O-CB 3.27Å; G766-H770 PolarHBondContact O-N 3.34Å |
| 767 | K | 94.6 | Very high | 92.1 | Very high | 133 Ų | 133 | 52 Ų | 52 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 173.2 | -174.4 | 174.3 | -178.1 | 174.6 | 0 | 112.3 | L763 V764 L765 G771 | L763-K767 PolarHBondContact O-N 3Å; V764-K767 PolarHBondContact O-N 2.74Å; L765-K767 VanDerWaalsContact C-N 3.33Å; L765-K767 PolarHBondContact O-N 3.27Å; K767-G771 PolarHBondContact O-N 2.98Å; K767-G771 VanDerWaalsContact O-N 3.16Å |
| 768 | I | 93.8 | Very high | 91.4 | Very high | 112 Ų | 112 | 49.5 Ų | 49.5 | 57% | 0.574 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -68.5 | -45.8 | 177.5 | -64.1 | 168.2 | 0 | 0 | 0 | 110.3 | V764 L765 G771 Y772 | V764-I768 HydrophobicContact CG1-CD1 4.3Å; V764-I768 WeakPolarHBondContact O-CG1 3.37Å; V764-I768 PolarHBondContact O-N 3.17Å; L765-I768 PolarHBondContact O-N 2.82Å; L765-I768 VanDerWaalsContact O-N 3.14Å; I768-G771 PolarHBondContact O-N 3.36Å; I768-Y772 PolarHBondContact O-N 2.96Å |
| 769 | E | 91.5 | Very high | 90.6 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 177.9 | 177.8 | -179 | 169.9 | 0 | 0 | 111.7 | I302 S476 T480 L765 G771 Y772 I773 | I302-E769 HydrophobicContact CD1-CB 4.49Å; I302-E769 HydrophobicContact CD1-CG 3.41Å; I302-E769 VanDerWaalsContact CD1-CG 3.41Å; I302-E769 WeakPolarHBondContact CD1-OE1 3.47Å; S476-E769 WeakPolarHBondContact CB-OE2 3.4Å; S476-E769 PolarHBondContact OG-OE2 3.48Å; T480-E769 HydrophobicContact CG2-CG 4.12Å; T480-E769 WeakPolarHBondContact OG1-CG 3.43Å; L765-E769 WeakPolarHBondContact O-CB 3.33Å; L765-E769 PolarHBondContact O-N 3.16Å; E769-G771 PolarHBondContact O-N 2.93Å; E769-Y772 PolarHBondContact O-N 3.16Å; E769-I773 HydrophobicContact CG-CD1 3.7Å; E769-I773 WeakPolarHBondContact O-CG1 3.48Å; E769-I773 PolarHBondContact O-N 3.15Å |
| 770 | H | 92.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.2 | -49.5 | 174.6 | 166.4 | -96 | 0 | 0 | 0 | 111.8 | G483 S487 G766 Y772 I773 L774 P786 I788 | G483-H770 PolarHBondContact O-NE2 3.3Å; S487-H770 PolarHBondContact OG-CE1 2.65Å; S487-H770 PolarHBondContact OG-NE2 3.09Å; G766-H770 WeakPolarHBondContact O-CB 3.27Å; G766-H770 PolarHBondContact O-N 3.34Å; H770-Y772 VanDerWaalsContact C-N 3.3Å; H770-Y772 PolarHBondContact O-N 2.92Å; H770-I773 PolarHBondContact O-N 2.88Å; H770-L774 VanDerWaalsContact O-CB 3.32Å; H770-L774 WeakPolarHBondContact O-CB 3.43Å; H770-L774 PolarHBondContact O-N 3.45Å; H770-P786 PolarHBondContact CE1-O 2.88Å; H770-P786 VanDerWaalsContact CE1-O 3.31Å; H770-I788 HydrophobicContact CB-CD1 3.9Å |
| 771 | G | 91.1 | Very high | 89 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K767 I768 E769 Q775 | K767-G771 PolarHBondContact O-N 2.98Å; K767-G771 VanDerWaalsContact O-N 3.16Å; I768-G771 PolarHBondContact O-N 3.36Å; E769-G771 PolarHBondContact O-N 2.93Å; G771-Q775 WeakPolarHBondContact O-CG 3.49Å; G771-Q775 PolarHBondContact O-N 3.26Å |
| 772 | Y | 89.8 | Confident | 88.4 | Confident | 142 Ų | 142 | 48.9 Ų | 48.9 | 56% | 0.557 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -68.4 | -47.7 | 175.1 | 179.6 | -104.4 | 0 | 0 | 0 | 111.8 | V298 I768 E769 H770 L774 Q775 T776 | V298-Y772 HydrophobicContact CG1-CD1 3.92Å; V298-Y772 HydrophobicContact CG1-CE1 3.65Å; I768-Y772 PolarHBondContact O-N 2.96Å; E769-Y772 PolarHBondContact O-N 3.16Å; H770-Y772 VanDerWaalsContact C-N 3.3Å; H770-Y772 PolarHBondContact O-N 2.92Å; Y772-L774 VanDerWaalsContact C-N 3.34Å; Y772-L774 PolarHBondContact O-N 3.39Å; Y772-Q775 PolarHBondContact O-N 3.31Å; Y772-T776 PolarHBondContact O-N 3.29Å |
| 773 | I | 88.7 | Confident | 88 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -40.9 | -179.1 | -67.4 | 163.7 | 0 | 0 | 0 | 110.5 | L295 V298 T480 L484 E769 H770 Q775 T776 V777 | L295-I773 HydrophobicContact CD2-CG2 4.4Å; V298-I773 HydrophobicContact CB-CG1 4.33Å; V298-I773 HydrophobicContact CG1-CD1 4.49Å; V298-I773 HydrophobicContact CG1-CG1 3.73Å; T480-I773 HydrophobicContact CG2-CD1 3.43Å; T480-I773 VanDerWaalsContact CG2-CD1 3.43Å; L484-I773 HydrophobicContact CD1-CG2 4.01Å; L484-I773 HydrophobicContact CD2-CG2 4.04Å; E769-I773 HydrophobicContact CG-CD1 3.7Å; E769-I773 WeakPolarHBondContact O-CG1 3.48Å; E769-I773 PolarHBondContact O-N 3.15Å; H770-I773 PolarHBondContact O-N 2.88Å; I773-Q775 VanDerWaalsContact C-N 3.27Å; I773-Q775 PolarHBondContact O-N 3.33Å; I773-T776 PolarHBondContact O-N 3.44Å; I773-T776 PolarHBondContact O-OG1 3.27Å; I773-V777 HydrophobicContact CG2-CG2 3.86Å; I773-V777 VanDerWaalsContact O-CG2 3.31Å; I773-V777 WeakPolarHBondContact O-CG2 3.18Å; I773-V777 PolarHBondContact O-N 2.88Å |
| 774 | L | 87.9 | Confident | 87.6 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.3 | -43.8 | 179.5 | -163 | 67.5 | 0 | 0 | 0 | 111.7 | L484 H770 Y772 T776 V777 E778 F784 P786 | L484-L774 HydrophobicContact CD2-CD1 4.17Å; H770-L774 VanDerWaalsContact O-CB 3.32Å; H770-L774 WeakPolarHBondContact O-CB 3.43Å; H770-L774 PolarHBondContact O-N 3.45Å; Y772-L774 VanDerWaalsContact C-N 3.34Å; Y772-L774 PolarHBondContact O-N 3.39Å; L774-T776 PolarHBondContact O-N 2.84Å; L774-V777 PolarHBondContact O-N 3.18Å; L774-E778 WeakPolarHBondContact O-CG 3.5Å; L774-E778 PolarHBondContact O-N 2.75Å; L774-F784 HydrophobicContact CD1-CB 3.5Å; L774-F784 VanDerWaalsContact CD1-CB 3.5Å; L774-F784 HydrophobicContact CD1-CD2 4.11Å; L774-F784 HydrophobicContact CD1-CG 4.02Å; L774-F784 HydrophobicContact CD2-CB 4.22Å; L774-F784 HydrophobicContact CG-CB 4.02Å; L774-P786 HydrophobicContact CD2-CB 4.05Å |
| 775 | Q | 82.9 | Confident | 87.2 | Confident | 128 Ų | 128 | 43.3 Ų | 43.3 | 60% | 0.598 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.2 | -29 | 177.4 | -68.9 | 175.4 | 17.6 | 0 | 0 | 113.4 | G771 Y772 I773 | G771-Q775 WeakPolarHBondContact O-CG 3.49Å; G771-Q775 PolarHBondContact O-N 3.26Å; Y772-Q775 PolarHBondContact O-N 3.31Å; I773-Q775 VanDerWaalsContact C-N 3.27Å; I773-Q775 PolarHBondContact O-N 3.33Å |
| 776 | T | 82.3 | Confident | 86.7 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -84 | -20.9 | 177.6 | 63.6 | 0 | 0 | 0 | 0 | 113.7 | V298 Y772 I773 L774 | V298-T776 HydrophobicContact CG2-CG2 4.15Å; Y772-T776 PolarHBondContact O-N 3.29Å; I773-T776 PolarHBondContact O-N 3.44Å; I773-T776 PolarHBondContact O-OG1 3.27Å; L774-T776 PolarHBondContact O-N 2.84Å |
| 777 | V | 79.7 | Confident | 86.4 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -94.4 | -25.9 | -177.4 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | L295 I773 L774 L779 F784 | L295-V777 HydrophobicContact CD2-CG1 4.3Å; L295-V777 HydrophobicContact CD2-CG2 3.64Å; L295-V777 HydrophobicContact CG-CG1 4.1Å; L295-V777 HydrophobicContact CG-CG2 3.78Å; I773-V777 HydrophobicContact CG2-CG2 3.86Å; I773-V777 VanDerWaalsContact O-CG2 3.31Å; I773-V777 WeakPolarHBondContact O-CG2 3.18Å; I773-V777 PolarHBondContact O-N 2.88Å; L774-V777 PolarHBondContact O-N 3.18Å; V777-L779 PolarHBondContact O-N 2.93Å; V777-L779 VanDerWaalsContact O-N 3.14Å; V777-F784 HydrophobicContact CG1-CE2 4.12Å |
| 778 | E | 80.1 | Confident | 86.2 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | trans | -58.7 | 110.9 | 174 | -77.1 | 178.5 | 174.5 | 0 | 0 | 112.1 | K591 K594 L774 F784 | K591-E778 IonicContact NZ-OE2 3.82Å; K594-E778 IonicContact NZ-OE2 2.8Å; K594-E778 PolarHBondContact NZ-OE2 2.79Å; L774-E778 WeakPolarHBondContact O-CG 3.5Å; L774-E778 PolarHBondContact O-N 2.75Å; E778-F784 HydrophobicContact CB-CD2 4.45Å; E778-F784 HydrophobicContact CG-CB 4.47Å; E778-F784 HydrophobicContact CG-CD2 3.67Å; E778-F784 HydrophobicContact CG-CE2 4.46Å; E778-F784 PolarHBondContact OE1-N 3.07Å | ||
| 779 | L | 78.2 | Confident | 86.1 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | trans | -71.4 | 168.5 | 168.4 | -59.9 | -177.3 | 0 | 0 | 0 | 111.7 | D287 R291 K591 V777 M781 T782 | D287-L779 HydrophobicContact CB-CD1 4.03Å; R291-L779 HydrophobicContact CG-CD1 3.82Å; R291-L779 HydrophobicContact CG-CD2 4.47Å; R291-L779 HydrophobicContact CG-CG 4.02Å; K591-L779 WeakPolarHBondContact CE-O 3.5Å; K591-L779 PolarHBondContact NZ-O 3.4Å; V777-L779 PolarHBondContact O-N 2.93Å; V777-L779 VanDerWaalsContact O-N 3.14Å; L779-M781 PolarHBondContact O-N 3.06Å; L779-T782 PolarHBondContact O-N 3.28Å | ||
| 780 | D | 80.3 | Confident | 86.2 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 32% | 0.316 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -47.9 | -176.3 | -69.1 | -7.1 | 0 | 0 | 0 | 112.5 | S549 Q551 K591 L595 H628 T782 | S549-D780 PolarHBondContact OG-OD2 3.43Å; Q551-D780 PolarHBondContact NE2-OD2 3.04Å; K591-D780 WeakPolarHBondContact CE-O 3.36Å; K591-D780 WeakPolarHBondContact CG-O 3.39Å; L595-D780 HydrophobicContact CD1-CB 4.04Å; H628-D780 PolarHBondContact CE1-O 3.44Å; H628-D780 VanDerWaalsContact CE1-O 3.22Å; H628-D780 PolarHBondContact NE2-O 2.92Å; D780-T782 VanDerWaalsContact C-N 3.3Å; D780-T782 PolarHBondContact O-N 3.13Å |
| 781 | M | 79.8 | Confident | 86.3 | Confident | 75 Ų | 75 | 48.7 Ų | 48.7 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -1.3 | -176.2 | -66 | -70 | -78.8 | 0 | 0 | 114.5 | G627 H628 L779 | G627-M781 WeakPolarHBondContact CA-O 3.17Å; G627-M781 PolarHBondContact N-O 2.92Å; H628-M781 PolarHBondContact CD2-SD 3.09Å; L779-M781 PolarHBondContact O-N 3.06Å |
| 782 | T | 83.9 | Confident | 86.4 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -135.7 | 144.5 | -176.3 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | K591 Y625 L779 D780 | K591-T782 WeakPolarHBondContact CE-O 3.37Å; Y625-T782 CarbonylContact O-C 3.49Å; Y625-T782 WeakPolarHBondContact O-CA 3.44Å; L779-T782 PolarHBondContact O-N 3.28Å; D780-T782 VanDerWaalsContact C-N 3.3Å; D780-T782 PolarHBondContact O-N 3.13Å |
| 783 | M | 88.3 | Confident | 86.7 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | trans | -123.8 | 148.4 | 174.9 | 179.9 | 175.6 | 157.4 | 0 | 0 | 108.8 | I491 E590 K591 Y625 | I491-M783 WeakPolarHBondContact CD1-O 3.33Å; E590-M783 HydrophobicContact CB-CE 4.02Å; E590-M783 HydrophobicContact CB-SD 3.88Å; E590-M783 HydrophobicContact CG-CE 3.9Å; E590-M783 HydrophobicContact CG-SD 4.14Å; E590-M783 WeakPolarHBondContact OE2-CE 3.38Å; K591-M783 HydrophobicContact CB-CB 4.08Å; K591-M783 HydrophobicContact CB-SD 4.19Å; K591-M783 HydrophobicContact CD-CB 4.31Å; K591-M783 HydrophobicContact CG-CB 4.38Å; Y625-M783 VanDerWaalsContact CD1-O 3.32Å; Y625-M783 WeakPolarHBondContact CD1-O 3.44Å; Y625-M783 PolarHBondContact O-N 3.46Å | ||
| 784 | F | 87.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | trans | -112.8 | 153.5 | 177.1 | -66.7 | -71.7 | 0 | 0 | 0 | 110.5 | I488 I491 L774 V777 E778 | I488-F784 HydrophobicContact CB-CD1 4.29Å; I488-F784 HydrophobicContact CB-CE1 4.18Å; I488-F784 HydrophobicContact CG1-CD1 3.75Å; I488-F784 HydrophobicContact CG1-CE1 3.63Å; I488-F784 HydrophobicContact CG1-CZ 4.24Å; I488-F784 HydrophobicContact CG2-CE1 4.22Å; I491-F784 HydrophobicContact CD1-CD1 3.13Å; I491-F784 HydrophobicContact CD1-CE1 3.37Å; I491-F784 HydrophobicContact CD1-CG 4.07Å; I491-F784 HydrophobicContact CG1-CD1 4.07Å; L774-F784 HydrophobicContact CD1-CB 3.5Å; L774-F784 VanDerWaalsContact CD1-CB 3.5Å; L774-F784 HydrophobicContact CD1-CD2 4.11Å; L774-F784 HydrophobicContact CD1-CG 4.02Å; L774-F784 HydrophobicContact CD2-CB 4.22Å; L774-F784 HydrophobicContact CG-CB 4.02Å; V777-F784 HydrophobicContact CG1-CE2 4.12Å; E778-F784 HydrophobicContact CB-CD2 4.45Å; E778-F784 HydrophobicContact CG-CB 4.47Å; E778-F784 HydrophobicContact CG-CD2 3.67Å; E778-F784 HydrophobicContact CG-CE2 4.46Å; E778-F784 PolarHBondContact OE1-N 3.07Å | ||
| 785 | S | 87.2 | Confident | 87.4 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | trans | -72.1 | 128.3 | 173.5 | -180 | 0 | 0 | 0 | 0 | 109.8 | S487 D787 | S487-S785 WeakPolarHBondContact CA-O 3.23Å; S487-S785 WeakPolarHBondContact CB-O 3.3Å; S487-S785 PolarHBondContact O-N 3.32Å; S487-S785 PolarHBondContact OG-O 3.18Å; S785-D787 PolarHBondContact O-N 3.32Å; S785-D787 PolarHBondContact OG-N 2.91Å | ||
| 786 | P | 86.2 | Confident | 88 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 34% | 0.344 | 25% | 0.246 | S | C | . | . | trans | -77.5 | 0.3 | 177.6 | 33.9 | -36.7 | 0 | 0 | 0 | 113.2 | H770 L774 | H770-P786 PolarHBondContact CE1-O 2.88Å; H770-P786 VanDerWaalsContact CE1-O 3.31Å; L774-P786 HydrophobicContact CD2-CB 4.05Å | ||
| 787 | D | 87 | Confident | 88.6 | Confident | 101 Ų | 101 | 45.8 Ų | 45.8 | 54% | 0.54 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -82.6 | 134.9 | -176.3 | -65.2 | -35.2 | 0 | 0 | 0 | 111.5 | S785 | S785-D787 PolarHBondContact O-N 3.32Å; S785-D787 PolarHBondContact OG-N 2.91Å |
| 788 | I | 91.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 50 Ų | 50 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 126.6 | 171.5 | -56.9 | 179.2 | 0 | 0 | 0 | 106.8 | I479 H770 Y793 | I479-I788 HydrophobicContact CG2-CD1 4.02Å; H770-I788 HydrophobicContact CB-CD1 3.9Å; I788-Y793 HydrophobicContact CB-CE2 3.7Å; I788-Y793 HydrophobicContact CG2-CD2 4Å; I788-Y793 HydrophobicContact CG2-CE1 4.43Å; I788-Y793 HydrophobicContact CG2-CE2 3.57Å |
| 789 | Q | 91.4 | Very high | 90 | Very high | 72 Ų | 72 | 51.1 Ų | 51.1 | 34% | 0.336 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 142.5 | -178.2 | -64.2 | -178.9 | 4.3 | 0 | 0 | 110.3 | D486 D490 L791 S792 | D486-Q789 HydrophobicContact CB-CG 4.02Å; D486-Q789 VanDerWaalsContact OD2-CB 3.31Å; D486-Q789 WeakPolarHBondContact OD2-CB 3.3Å; D486-Q789 PolarHBondContact OD2-N 3.04Å; D490-Q789 PolarHBondContact OD1-NE2 3.01Å; Q789-L791 PolarHBondContact O-N 3.27Å; Q789-L791 VanDerWaalsContact O-N 3.1Å; Q789-S792 VanDerWaalsContact O-CB 3.32Å; Q789-S792 WeakPolarHBondContact O-CB 3.29Å; Q789-S792 PolarHBondContact O-N 2.89Å |
| 790 | P | 93.4 | Very high | 90.7 | Very high | 112 Ų | 112 | 49.3 Ų | 49.3 | 73% | 0.727 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -54.5 | -33 | 178.5 | -28.8 | 36 | 0 | 0 | 0 | 114 | S792 Y793 L794 | P790-S792 VanDerWaalsContact C-N 3.31Å; P790-S792 PolarHBondContact O-N 3.43Å; P790-Y793 PolarHBondContact O-N 3.41Å; P790-L794 PolarHBondContact O-N 3.45Å |
| 791 | L | 94.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 49.9 Ų | 49.9 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.6 | -32.2 | 177.2 | -70.8 | 174.9 | 0 | 0 | 0 | 112.7 | Q789 L794 Y795 | Q789-L791 PolarHBondContact O-N 3.27Å; Q789-L791 VanDerWaalsContact O-N 3.1Å; L791-L794 HydrophobicContact CD2-CD2 4.5Å; L791-L794 WeakPolarHBondContact O-CB 3.49Å; L791-L794 PolarHBondContact O-N 2.95Å; L791-L794 VanDerWaalsContact O-N 3.15Å; L791-Y795 HydrophobicContact CB-CD2 4.37Å; L791-Y795 HydrophobicContact CB-CE2 3.95Å; L791-Y795 WeakPolarHBondContact O-CD2 3.49Å; L791-Y795 PolarHBondContact O-N 3.42Å |
| 792 | S | 94.6 | Very high | 92 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 178.4 | -70.2 | 0 | 0 | 0 | 0 | 112.3 | D486 Q789 P790 L794 Y795 A796 | D486-S792 VanDerWaalsContact CG-OG 3.27Å; D486-S792 PolarHBondContact OD1-OG 2.73Å; D486-S792 VanDerWaalsContact OD2-CB 3.22Å; D486-S792 WeakPolarHBondContact OD2-CB 3.16Å; D486-S792 PolarHBondContact OD2-OG 2.82Å; Q789-S792 VanDerWaalsContact O-CB 3.32Å; Q789-S792 WeakPolarHBondContact O-CB 3.29Å; Q789-S792 PolarHBondContact O-N 2.89Å; P790-S792 VanDerWaalsContact C-N 3.31Å; P790-S792 PolarHBondContact O-N 3.43Å; S792-L794 VanDerWaalsContact C-N 3.3Å; S792-L794 PolarHBondContact O-N 2.69Å; S792-Y795 PolarHBondContact O-N 3.04Å; S792-A796 WeakPolarHBondContact O-CB 3.38Å; S792-A796 PolarHBondContact O-N 2.96Å |
| 793 | Y | 95.9 | Very high | 92.4 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 171.7 | -66.9 | -75.2 | 0 | 0 | 0 | 112.1 | I479 L763 I788 P790 S797 | I479-Y793 HydrophobicContact CG2-CD1 4.15Å; I479-Y793 HydrophobicContact CG2-CE1 4.04Å; L763-Y793 HydrophobicContact CD2-CD1 3.48Å; L763-Y793 VanDerWaalsContact CD2-CD1 3.48Å; L763-Y793 HydrophobicContact CD2-CE1 4.4Å; L763-Y793 HydrophobicContact CD2-CG 4.21Å; I788-Y793 HydrophobicContact CB-CE2 3.7Å; I788-Y793 HydrophobicContact CG2-CD2 4Å; I788-Y793 HydrophobicContact CG2-CE1 4.43Å; I788-Y793 HydrophobicContact CG2-CE2 3.57Å; P790-Y793 PolarHBondContact O-N 3.41Å; Y793-S797 WeakPolarHBondContact O-CB 3.36Å; Y793-S797 PolarHBondContact O-N 3.44Å; Y793-S797 VanDerWaalsContact O-N 3.15Å; Y793-S797 PolarHBondContact O-OG 3.23Å |
| 794 | L | 95.7 | Very high | 92.6 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 47% | 0.466 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.5 | -49.6 | 177 | 179.9 | 63.4 | 0 | 0 | 0 | 111.2 | P790 L791 S792 A796 S797 L798 | P790-L794 PolarHBondContact O-N 3.45Å; L791-L794 HydrophobicContact CD2-CD2 4.5Å; L791-L794 WeakPolarHBondContact O-CB 3.49Å; L791-L794 PolarHBondContact O-N 2.95Å; L791-L794 VanDerWaalsContact O-N 3.15Å; S792-L794 VanDerWaalsContact C-N 3.3Å; S792-L794 PolarHBondContact O-N 2.69Å; L794-A796 PolarHBondContact O-N 3.32Å; L794-S797 WeakPolarHBondContact O-CB 3.39Å; L794-S797 PolarHBondContact O-N 3Å; L794-L798 HydrophobicContact CD1-CD1 4.23Å; L794-L798 HydrophobicContact CD1-CG 4.23Å; L794-L798 HydrophobicContact CG-CD1 4.04Å; L794-L798 HydrophobicContact CG-CG 4.43Å; L794-L798 WeakPolarHBondContact O-CG 3.39Å; L794-L798 PolarHBondContact O-N 3.47Å |
| 795 | Y | 94.7 | Very high | 92.8 | Very high | 117 Ų | 117 | 58.7 Ų | 58.7 | 46% | 0.459 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 179.6 | -68.1 | -47.5 | 0 | 0 | 0 | 112.4 | L791 S792 S797 L798 I799 | L791-Y795 HydrophobicContact CB-CD2 4.37Å; L791-Y795 HydrophobicContact CB-CE2 3.95Å; L791-Y795 WeakPolarHBondContact O-CD2 3.49Å; L791-Y795 PolarHBondContact O-N 3.42Å; S792-Y795 PolarHBondContact O-N 3.04Å; Y795-S797 VanDerWaalsContact C-N 3.26Å; Y795-S797 PolarHBondContact O-N 3.44Å; Y795-L798 PolarHBondContact O-N 2.92Å; Y795-I799 VanDerWaalsContact O-CG1 3.29Å; Y795-I799 WeakPolarHBondContact O-CG1 3.4Å; Y795-I799 PolarHBondContact O-N 2.86Å |
| 796 | A | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | M475 I478 I479 S792 L794 T800 | M475-A796 VanDerWaalsContact CE-C 3.49Å; M475-A796 HydrophobicContact CE-CB 3.49Å; M475-A796 VanDerWaalsContact CE-CB 3.49Å; M475-A796 HydrophobicContact SD-CB 4.15Å; I478-A796 HydrophobicContact CB-CB 4.36Å; I478-A796 HydrophobicContact CG2-CB 3.66Å; I479-A796 HydrophobicContact CB-CB 4.47Å; I479-A796 HydrophobicContact CG1-CB 3.52Å; S792-A796 WeakPolarHBondContact O-CB 3.38Å; S792-A796 PolarHBondContact O-N 2.96Å; L794-A796 PolarHBondContact O-N 3.32Å; A796-T800 PolarHBondContact O-N 2.82Å; A796-T800 VanDerWaalsContact O-N 3.09Å; A796-T800 PolarHBondContact O-OG1 3.49Å |
| 797 | S | 95.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 178.4 | -60 | 0 | 0 | 0 | 0 | 111 | M475 Y793 L794 Y795 T800 L801 | M475-S797 WeakPolarHBondContact CE-OG 3.48Å; Y793-S797 WeakPolarHBondContact O-CB 3.36Å; Y793-S797 PolarHBondContact O-N 3.44Å; Y793-S797 VanDerWaalsContact O-N 3.15Å; Y793-S797 PolarHBondContact O-OG 3.23Å; L794-S797 WeakPolarHBondContact O-CB 3.39Å; L794-S797 PolarHBondContact O-N 3Å; Y795-S797 VanDerWaalsContact C-N 3.26Å; Y795-S797 PolarHBondContact O-N 3.44Å; S797-T800 PolarHBondContact O-N 3.2Å; S797-L801 WeakPolarHBondContact O-CB 3.46Å; S797-L801 VanDerWaalsContact O-CG 3.27Å; S797-L801 WeakPolarHBondContact O-CG 3.47Å; S797-L801 PolarHBondContact O-N 2.84Å |
| 798 | L | 95.2 | Very high | 93.3 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 48% | 0.482 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.7 | -71.3 | 176.3 | 0 | 0 | 0 | 112.2 | L794 Y795 L801 F802 | L794-L798 HydrophobicContact CD1-CD1 4.23Å; L794-L798 HydrophobicContact CD1-CG 4.23Å; L794-L798 HydrophobicContact CG-CD1 4.04Å; L794-L798 HydrophobicContact CG-CG 4.43Å; L794-L798 WeakPolarHBondContact O-CG 3.39Å; L794-L798 PolarHBondContact O-N 3.47Å; Y795-L798 PolarHBondContact O-N 2.92Å; L798-L801 PolarHBondContact O-N 2.79Å; L798-F802 VanDerWaalsContact O-CB 3.28Å; L798-F802 WeakPolarHBondContact O-CB 3.42Å; L798-F802 PolarHBondContact O-N 3.13Å |
| 799 | I | 94.3 | Very high | 93.2 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176 | -70.7 | 165.6 | 0 | 0 | 0 | 110.6 | I478 F482 Y795 F802 F803 | I478-I799 HydrophobicContact CD1-CG2 4.08Å; I478-I799 HydrophobicContact CG2-CD1 4.43Å; F482-I799 HydrophobicContact CE2-CD1 3.69Å; F482-I799 HydrophobicContact CZ-CD1 3.92Å; Y795-I799 VanDerWaalsContact O-CG1 3.29Å; Y795-I799 WeakPolarHBondContact O-CG1 3.4Å; Y795-I799 PolarHBondContact O-N 2.86Å; I799-F802 WeakPolarHBondContact O-CB 3.35Å; I799-F802 PolarHBondContact O-N 3.33Å; I799-F803 HydrophobicContact CG2-CD2 3.78Å; I799-F803 HydrophobicContact CG2-CE2 3.4Å; I799-F803 HydrophobicContact CG2-CZ 4.4Å; I799-F803 WeakPolarHBondContact O-CD2 3.35Å; I799-F803 PolarHBondContact O-N 3.42Å |
| 800 | T | 93.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 177.6 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | I471 M475 T755 I759 A796 S797 F802 F803 T804 | I471-T800 HydrophobicContact CG2-CG2 4.11Å; M475-T800 PolarHBondContact SD-OG1 3.04Å; T755-T800 HydrophobicContact CG2-CG2 4.32Å; I759-T800 HydrophobicContact CD1-CG2 4.15Å; I759-T800 HydrophobicContact CG1-CG2 3.89Å; A796-T800 PolarHBondContact O-N 2.82Å; A796-T800 VanDerWaalsContact O-N 3.09Å; A796-T800 PolarHBondContact O-OG1 3.49Å; S797-T800 PolarHBondContact O-N 3.2Å; T800-F802 VanDerWaalsContact C-N 3.32Å; T800-F802 PolarHBondContact O-N 2.89Å; T800-F803 PolarHBondContact O-N 3.3Å; T800-T804 PolarHBondContact O-N 2.86Å; T800-T804 PolarHBondContact O-OG1 3.36Å |
| 801 | L | 93.7 | Very high | 92.7 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 37% | 0.372 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.7 | -73 | 170.6 | 0 | 0 | 0 | 112.3 | T755 I759 S797 L798 T804 L805 | T755-L801 HydrophobicContact CG2-CD2 4.34Å; I759-L801 HydrophobicContact CD1-CD2 3.91Å; I759-L801 HydrophobicContact CD1-CG 3.87Å; S797-L801 WeakPolarHBondContact O-CB 3.46Å; S797-L801 VanDerWaalsContact O-CG 3.27Å; S797-L801 WeakPolarHBondContact O-CG 3.47Å; S797-L801 PolarHBondContact O-N 2.84Å; L798-L801 PolarHBondContact O-N 2.79Å; L801-T804 PolarHBondContact O-N 2.98Å; L801-L805 WeakPolarHBondContact O-CB 3.45Å; L801-L805 PolarHBondContact O-N 3.13Å |
| 802 | F | 94.4 | Very high | 92.4 | Very high | 124 Ų | 124 | 50.7 Ų | 50.7 | 54% | 0.544 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 174.9 | 169 | -99.6 | 0 | 0 | 0 | 111.1 | L798 I799 T800 T804 L805 V806 | L798-F802 VanDerWaalsContact O-CB 3.28Å; L798-F802 WeakPolarHBondContact O-CB 3.42Å; L798-F802 PolarHBondContact O-N 3.13Å; I799-F802 WeakPolarHBondContact O-CB 3.35Å; I799-F802 PolarHBondContact O-N 3.33Å; T800-F802 VanDerWaalsContact C-N 3.32Å; T800-F802 PolarHBondContact O-N 2.89Å; F802-T804 PolarHBondContact O-N 3Å; F802-L805 WeakPolarHBondContact O-CB 3.49Å; F802-L805 PolarHBondContact O-N 2.88Å; F802-L805 VanDerWaalsContact O-N 3.15Å; F802-V806 HydrophobicContact CD1-CG2 4.44Å; F802-V806 HydrophobicContact CD2-CG2 4.38Å; F802-V806 HydrophobicContact CE1-CG2 4.02Å; F802-V806 HydrophobicContact CE2-CG2 3.95Å; F802-V806 HydrophobicContact CZ-CG2 3.75Å; F802-V806 WeakPolarHBondContact O-CG2 3.36Å; F802-V806 PolarHBondContact O-N 3.24Å |
| 803 | F | 92.4 | Very high | 91.9 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 17% | 0.167 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 176.8 | -72 | -55.9 | 0 | 0 | 0 | 112.7 | G708 A711 F712 L715 I799 T800 L805 V806 V807 | G708-F803 WeakPolarHBondContact O-CE2 3.42Å; G708-F803 WeakPolarHBondContact O-CZ 3.18Å; A711-F803 HydrophobicContact CB-CD2 4.23Å; F712-F803 HydrophobicContact CB-CD1 3.88Å; F712-F803 HydrophobicContact CB-CE1 4.07Å; F712-F803 HydrophobicContact CB-CG 4.41Å; F712-F803 HydrophobicContact CD2-CD1 4Å; F712-F803 HydrophobicContact CG-CD1 4.36Å; L715-F803 HydrophobicContact CD1-CB 3.62Å; I799-F803 HydrophobicContact CG2-CD2 3.78Å; I799-F803 HydrophobicContact CG2-CE2 3.4Å; I799-F803 HydrophobicContact CG2-CZ 4.4Å; I799-F803 WeakPolarHBondContact O-CD2 3.35Å; I799-F803 PolarHBondContact O-N 3.42Å; T800-F803 PolarHBondContact O-N 3.3Å; F803-L805 VanDerWaalsContact C-N 3.26Å; F803-L805 PolarHBondContact O-N 3.49Å; F803-V806 PolarHBondContact O-N 3.3Å; F803-V807 WeakPolarHBondContact O-CB 3.16Å; F803-V807 WeakPolarHBondContact O-CG2 3.2Å; F803-V807 PolarHBondContact O-N 2.84Å |
| 804 | T | 91.7 | Very high | 91.2 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 173.8 | -66 | 0 | 0 | 0 | 0 | 111.6 | T755 T800 L801 F802 G808 | T755-T804 HydrophobicContact CG2-CG2 4.17Å; T755-T804 VanDerWaalsContact CG2-OG1 3.31Å; T755-T804 WeakPolarHBondContact CG2-OG1 3.47Å; T755-T804 WeakPolarHBondContact OG1-CG2 3.49Å; T755-T804 PolarHBondContact OG1-OG1 3.26Å; T800-T804 PolarHBondContact O-N 2.86Å; T800-T804 PolarHBondContact O-OG1 3.36Å; L801-T804 PolarHBondContact O-N 2.98Å; F802-T804 PolarHBondContact O-N 3Å; T804-G808 PolarHBondContact O-N 3.26Å |
| 805 | L | 91.7 | Very high | 90.6 | Very high | 100 Ų | 100 | 54.7 Ų | 54.7 | 52% | 0.524 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67 | -46.3 | 176.3 | -176.5 | 149.7 | 0 | 0 | 0 | 111.6 | L801 F802 F803 G808 I809 | L801-L805 WeakPolarHBondContact O-CB 3.45Å; L801-L805 PolarHBondContact O-N 3.13Å; F802-L805 WeakPolarHBondContact O-CB 3.49Å; F802-L805 PolarHBondContact O-N 2.88Å; F802-L805 VanDerWaalsContact O-N 3.15Å; F803-L805 VanDerWaalsContact C-N 3.26Å; F803-L805 PolarHBondContact O-N 3.49Å; L805-G808 WeakPolarHBondContact O-CA 3.41Å; L805-G808 PolarHBondContact O-N 2.86Å; L805-G808 VanDerWaalsContact O-N 3.17Å; L805-I809 HydrophobicContact CD2-CD1 3.54Å; L805-I809 HydrophobicContact CD2-CG1 4.3Å; L805-I809 WeakPolarHBondContact O-CG1 3.49Å; L805-I809 PolarHBondContact O-N 3.26Å |
| 806 | V | 91.8 | Very high | 89.9 | Confident | 41 Ų | 41 | 53.3 Ų | 53.3 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 111 | F712 F802 F803 G808 I809 I810 | F712-V806 HydrophobicContact CE2-CG1 3.96Å; F802-V806 HydrophobicContact CD1-CG2 4.44Å; F802-V806 HydrophobicContact CD2-CG2 4.38Å; F802-V806 HydrophobicContact CE1-CG2 4.02Å; F802-V806 HydrophobicContact CE2-CG2 3.95Å; F802-V806 HydrophobicContact CZ-CG2 3.75Å; F802-V806 WeakPolarHBondContact O-CG2 3.36Å; F802-V806 PolarHBondContact O-N 3.24Å; F803-V806 PolarHBondContact O-N 3.3Å; V806-G808 VanDerWaalsContact C-N 3.27Å; V806-G808 PolarHBondContact O-N 3.44Å; V806-I809 PolarHBondContact O-N 2.71Å; V806-I810 HydrophobicContact CG1-CD1 4.23Å; V806-I810 WeakPolarHBondContact O-CG1 3.48Å; V806-I810 PolarHBondContact O-N 3.42Å; V806-I810 VanDerWaalsContact O-N 3.09Å |
| 807 | V | 90.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | F712 L715 T719 F803 I809 I810 M811 | F712-V807 HydrophobicContact CD2-CG2 3.99Å; F712-V807 HydrophobicContact CE2-CG2 3.95Å; L715-V807 HydrophobicContact CB-CG2 4.04Å; T719-V807 HydrophobicContact CG2-CG1 4.09Å; F803-V807 WeakPolarHBondContact O-CB 3.16Å; F803-V807 WeakPolarHBondContact O-CG2 3.2Å; F803-V807 PolarHBondContact O-N 2.84Å; V807-I809 PolarHBondContact O-N 3.27Å; V807-I810 PolarHBondContact O-N 3.45Å; V807-M811 HydrophobicContact CG1-CG 4.33Å; V807-M811 VanDerWaalsContact O-CG 3.28Å; V807-M811 WeakPolarHBondContact O-CG 3.18Å; V807-M811 PolarHBondContact O-N 3.32Å |
| 808 | G | 88.7 | Confident | 88.4 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.1 | -51.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y748 T804 L805 V806 I810 M811 Y812 | Y748-G808 VanDerWaalsContact CE1-CA 3.5Å; Y748-G808 VanDerWaalsContact OH-CA 3.31Å; Y748-G808 WeakPolarHBondContact OH-CA 3.41Å; Y748-G808 PolarHBondContact OH-O 2.86Å; T804-G808 PolarHBondContact O-N 3.26Å; L805-G808 WeakPolarHBondContact O-CA 3.41Å; L805-G808 PolarHBondContact O-N 2.86Å; L805-G808 VanDerWaalsContact O-N 3.17Å; V806-G808 VanDerWaalsContact C-N 3.27Å; V806-G808 PolarHBondContact O-N 3.44Å; G808-I810 VanDerWaalsContact C-N 3.31Å; G808-I810 PolarHBondContact O-N 3.2Å; G808-M811 CarbonylContact O-C 3.56Å; G808-M811 PolarHBondContact O-N 3.21Å; G808-M811 VanDerWaalsContact O-N 3.1Å; G808-Y812 PolarHBondContact O-N 3.13Å |
| 809 | I | 89.8 | Confident | 87.4 | Confident | 85 Ų | 85 | 61.3 Ų | 61.3 | 44% | 0.436 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | -179.8 | -68.6 | 170.4 | 0 | 0 | 0 | 110.5 | Y748 L805 V806 V807 M811 Y812 F813 | Y748-I809 PolarHBondContact OH-N 2.95Å; L805-I809 HydrophobicContact CD2-CD1 3.54Å; L805-I809 HydrophobicContact CD2-CG1 4.3Å; L805-I809 WeakPolarHBondContact O-CG1 3.49Å; L805-I809 PolarHBondContact O-N 3.26Å; V806-I809 PolarHBondContact O-N 2.71Å; V807-I809 PolarHBondContact O-N 3.27Å; I809-M811 VanDerWaalsContact C-N 3.29Å; I809-M811 PolarHBondContact O-N 3.31Å; I809-Y812 WeakPolarHBondContact O-CB 3.4Å; I809-Y812 PolarHBondContact O-N 3.27Å; I809-F813 HydrophobicContact CG2-CE2 4.06Å; I809-F813 VanDerWaalsContact O-CD2 3.23Å; I809-F813 WeakPolarHBondContact O-CD2 3.41Å |
| 810 | I | 88.8 | Confident | 86.3 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 35% | 0.354 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 176.7 | -64.1 | 167.1 | 0 | 0 | 0 | 110.3 | F712 Y716 V806 V807 G808 Y812 F813 | F712-I810 HydrophobicContact CE2-CD1 4.2Å; F712-I810 HydrophobicContact CZ-CD1 4.11Å; Y716-I810 HydrophobicContact CE2-CG2 4.02Å; V806-I810 HydrophobicContact CG1-CD1 4.23Å; V806-I810 WeakPolarHBondContact O-CG1 3.48Å; V806-I810 PolarHBondContact O-N 3.42Å; V806-I810 VanDerWaalsContact O-N 3.09Å; V807-I810 PolarHBondContact O-N 3.45Å; G808-I810 VanDerWaalsContact C-N 3.31Å; G808-I810 PolarHBondContact O-N 3.2Å; I810-Y812 PolarHBondContact O-N 3.45Å; I810-F813 PolarHBondContact O-N 3.42Å |
| 811 | M | 85.6 | Confident | 85.3 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.5 | -24.4 | -177.8 | -64.6 | -53.4 | -70.4 | 0 | 0 | 113.8 | Y716 T719 N720 I723 V807 G808 I809 F813 R814 L815 | Y716-M811 HydrophobicContact CE2-SD 4.38Å; T719-M811 HydrophobicContact CG2-CG 3.84Å; N720-M811 HydrophobicContact CB-CE 4.33Å; I723-M811 HydrophobicContact CB-CE 3.96Å; I723-M811 HydrophobicContact CD1-CB 3.79Å; I723-M811 HydrophobicContact CD1-CE 3.31Å; I723-M811 HydrophobicContact CD1-CG 4.12Å; I723-M811 HydrophobicContact CG1-CE 4.14Å; I723-M811 HydrophobicContact CG2-CE 4.2Å; V807-M811 HydrophobicContact CG1-CG 4.33Å; V807-M811 VanDerWaalsContact O-CG 3.28Å; V807-M811 WeakPolarHBondContact O-CG 3.18Å; V807-M811 PolarHBondContact O-N 3.32Å; G808-M811 CarbonylContact O-C 3.56Å; G808-M811 PolarHBondContact O-N 3.21Å; G808-M811 VanDerWaalsContact O-N 3.1Å; I809-M811 VanDerWaalsContact C-N 3.29Å; I809-M811 PolarHBondContact O-N 3.31Å; M811-F813 VanDerWaalsContact C-N 3.31Å; M811-F813 PolarHBondContact O-N 2.96Å; M811-R814 PolarHBondContact O-N 2.93Å; M811-R814 VanDerWaalsContact O-N 3.1Å; M811-L815 WeakPolarHBondContact O-CG 3.48Å; M811-L815 PolarHBondContact O-N 3.28Å |
| 812 | Y | 86.8 | Confident | 83.9 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.9 | -46.7 | 171.8 | 172.3 | -106.9 | 0 | 0 | 0 | 111.9 | V744 G808 I809 I810 R814 L815 K816 | V744-Y812 HydrophobicContact CB-CD2 4.33Å; V744-Y812 HydrophobicContact CG1-CD2 3.73Å; V744-Y812 HydrophobicContact CG1-CE2 4.23Å; V744-Y812 HydrophobicContact CG2-CD2 3.74Å; V744-Y812 HydrophobicContact CG2-CE2 4.14Å; G808-Y812 PolarHBondContact O-N 3.13Å; I809-Y812 WeakPolarHBondContact O-CB 3.4Å; I809-Y812 PolarHBondContact O-N 3.27Å; I810-Y812 PolarHBondContact O-N 3.45Å; Y812-R814 VanDerWaalsContact C-N 3.25Å; Y812-R814 PolarHBondContact O-N 2.93Å; Y812-L815 PolarHBondContact O-N 3.15Å; Y812-K816 HydrophobicContact CE1-CD 4.24Å; Y812-K816 PolarHBondContact O-N 3.26Å; Y812-K816 WeakPolarHBondContact OH-CE 3.45Å; Y812-K816 PolarHBondContact OH-NZ 3.28Å |
| 813 | F | 85.2 | Confident | 82.2 | Confident | 123 Ų | 123 | 65.1 Ų | 65.1 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -29.3 | 178.5 | -67.6 | -71.4 | 0 | 0 | 0 | 112.7 | I809 I810 M811 | I809-F813 HydrophobicContact CG2-CE2 4.06Å; I809-F813 VanDerWaalsContact O-CD2 3.23Å; I809-F813 WeakPolarHBondContact O-CD2 3.41Å; I810-F813 PolarHBondContact O-N 3.42Å; M811-F813 VanDerWaalsContact C-N 3.31Å; M811-F813 PolarHBondContact O-N 2.96Å |
| 814 | R | 81.3 | Confident | 80.7 | Confident | 108 Ų | 108 | 68.4 Ų | 68.4 | 41% | 0.408 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -77.4 | -41 | 176.9 | -167.5 | 170.4 | 177.1 | -176.7 | -8.1 | 112.5 | N720 M811 Y812 K816 K817 | N720-R814 VanDerWaalsContact CG-NH1 3.26Å; N720-R814 VanDerWaalsContact OD1-CZ 3.25Å; N720-R814 PolarHBondContact OD1-NH1 3.46Å; N720-R814 PolarHBondContact OD1-NH2 3.41Å; M811-R814 PolarHBondContact O-N 2.93Å; M811-R814 VanDerWaalsContact O-N 3.1Å; Y812-R814 VanDerWaalsContact C-N 3.25Å; Y812-R814 PolarHBondContact O-N 2.93Å; R814-K816 VanDerWaalsContact C-N 3.26Å; R814-K816 PolarHBondContact O-N 3.24Å; R814-K817 PolarHBondContact O-N 2.62Å |
| 815 | L | 82.3 | Confident | 79.3 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.7 | -33.3 | 178.2 | -73.5 | 174.5 | 0 | 0 | 0 | 112.7 | I723 L730 K734 V744 V747 M811 Y812 K817 I818 | I723-L815 HydrophobicContact CD1-CD1 4.09Å; I723-L815 HydrophobicContact CD1-CD2 3.87Å; I723-L815 HydrophobicContact CD1-CG 3.99Å; I723-L815 HydrophobicContact CG1-CD2 4.05Å; I723-L815 HydrophobicContact CG2-CD2 3.64Å; L730-L815 HydrophobicContact CD1-CD2 3.87Å; K734-L815 PolarHBondContact NZ-O 3.48Å; V744-L815 HydrophobicContact CB-CD1 4.43Å; V744-L815 HydrophobicContact CG2-CB 3.94Å; V744-L815 HydrophobicContact CG2-CD1 3.8Å; V747-L815 HydrophobicContact CB-CD1 4.3Å; V747-L815 HydrophobicContact CG1-CD1 4.48Å; V747-L815 HydrophobicContact CG2-CD1 4.38Å; M811-L815 WeakPolarHBondContact O-CG 3.48Å; M811-L815 PolarHBondContact O-N 3.28Å; Y812-L815 PolarHBondContact O-N 3.15Å; L815-K817 VanDerWaalsContact C-N 3.27Å; L815-K817 PolarHBondContact O-N 3.35Å; L815-I818 HydrophobicContact CB-CD1 4.46Å; L815-I818 HydrophobicContact CD2-CD1 3.5Å; L815-I818 VanDerWaalsContact CD2-CD1 3.5Å; L815-I818 WeakPolarHBondContact O-CG1 3.22Å; L815-I818 PolarHBondContact O-N 2.94Å |
| 816 | K | 81 | Confident | 77.5 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 173.2 | -78.1 | -172.5 | 170.3 | 179.6 | 0 | 113.5 | D740 Y812 R814 I818 | D740-K816 HydrophobicContact CB-CG 4.37Å; Y812-K816 HydrophobicContact CE1-CD 4.24Å; Y812-K816 PolarHBondContact O-N 3.26Å; Y812-K816 WeakPolarHBondContact OH-CE 3.45Å; Y812-K816 PolarHBondContact OH-NZ 3.28Å; R814-K816 VanDerWaalsContact C-N 3.26Å; R814-K816 PolarHBondContact O-N 3.24Å; K816-I818 VanDerWaalsContact C-N 3.31Å; K816-I818 PolarHBondContact O-N 3.42Å |
| 817 | K | 81.2 | Confident | 75.4 | Confident | 181 Ų | 181 | 78.1 Ų | 78.1 | 79% | 0.787 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -0.2 | -177.2 | -65 | -177.4 | 179.7 | -173.9 | 0 | 114 | R814 L815 D819 | R814-K817 PolarHBondContact O-N 2.62Å; L815-K817 VanDerWaalsContact C-N 3.27Å; L815-K817 PolarHBondContact O-N 3.35Å; K817-D819 PolarHBondContact O-N 3.45Å |
| 818 | I | 77.4 | Confident | 73 | Confident | 17 Ų | 17 | 87.2 Ų | 87.2 | 9% | 0.087 | 43% | 0.431 | C | S | . | . | trans | -65.8 | 120.5 | 178.1 | -64.3 | 177.2 | 0 | 0 | 0 | 109.3 | I723 I727 L730 S731 K734 L815 K816 | I723-I818 HydrophobicContact CG2-CD1 4.48Å; I727-I818 HydrophobicContact CD1-CB 4.19Å; I727-I818 HydrophobicContact CD1-CD1 3.62Å; I727-I818 HydrophobicContact CD1-CG1 3.56Å; I727-I818 HydrophobicContact CD1-CG2 3.68Å; I727-I818 HydrophobicContact CG1-CG2 4.37Å; L730-I818 HydrophobicContact CB-CD1 4.41Å; L730-I818 HydrophobicContact CD1-CD1 4.1Å; S731-I818 WeakPolarHBondContact OG-CG2 3.44Å; K734-I818 PolarHBondContact NZ-O 3.27Å; L815-I818 HydrophobicContact CB-CD1 4.46Å; L815-I818 HydrophobicContact CD2-CD1 3.5Å; L815-I818 VanDerWaalsContact CD2-CD1 3.5Å; L815-I818 WeakPolarHBondContact O-CG1 3.22Å; L815-I818 PolarHBondContact O-N 2.94Å; K816-I818 VanDerWaalsContact C-N 3.31Å; K816-I818 PolarHBondContact O-N 3.42Å | ||
| 819 | D | 73.3 | Confident | 72.2 | Confident | 82 Ų | 82 | 91.3 Ų | 91.3 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | trans | -72.9 | 130.8 | 176.2 | -168.2 | -10 | 0 | 0 | 0 | 110.6 | S731 K817 I821 | S731-D819 PolarHBondContact OG-O 2.99Å; K817-D819 PolarHBondContact O-N 3.45Å; D819-I821 VanDerWaalsContact C-N 3.32Å; D819-I821 WeakPolarHBondContact OD1-CB 3.27Å; D819-I821 WeakPolarHBondContact OD1-CG1 3.2Å; D819-I821 PolarHBondContact OD1-N 3.04Å | ||
| 820 | M | 72.4 | Confident | 71.3 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -74.5 | -26.5 | 176.6 | -58.9 | -176.1 | -169 | 0 | 0 | 111.5 | K734 V735 E822 | K734-M820 HydrophobicContact CB-CE 4.01Å; K734-M820 HydrophobicContact CB-CG 3.85Å; K734-M820 HydrophobicContact CB-SD 4.09Å; K734-M820 HydrophobicContact CD-CE 4.06Å; K734-M820 HydrophobicContact CD-CG 4.14Å; K734-M820 HydrophobicContact CG-CE 4.45Å; V735-M820 HydrophobicContact CG2-CB 4.02Å; M820-E822 PolarHBondContact O-N 3.21Å |
| 821 | I | 71.8 | Confident | 70.3 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 45% | 0.451 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -73.5 | -27.3 | -171.9 | -58.8 | 173.5 | 0 | 0 | 0 | 111.9 | D819 T823 L824 K825 | D819-I821 VanDerWaalsContact C-N 3.32Å; D819-I821 WeakPolarHBondContact OD1-CB 3.27Å; D819-I821 WeakPolarHBondContact OD1-CG1 3.2Å; D819-I821 PolarHBondContact OD1-N 3.04Å; I821-T823 PolarHBondContact O-N 3.13Å; I821-T823 VanDerWaalsContact O-N 3.14Å; I821-L824 WeakPolarHBondContact O-CB 3.23Å; I821-L824 PolarHBondContact O-N 3.18Å; I821-K825 HydrophobicContact CG2-CD 4.36Å; I821-K825 HydrophobicContact CG2-CG 4.24Å; I821-K825 PolarHBondContact O-N 3.33Å |
| 822 | E | 64.8 | Low | 69.4 | Low | 118 Ų | 118 | 98.1 Ų | 98.1 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -54.3 | -34.7 | 177.8 | -96.7 | -164.8 | 162.6 | 0 | 0 | 113 | M820 | M820-E822 PolarHBondContact O-N 3.21Š|
| 823 | T | 58.3 | Low | 68.3 | Low | 30 Ų | 30 | 99.4 Ų | 99.4 | 18% | 0.184 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -71.5 | -30.8 | 177.7 | -60 | 0 | 0 | 0 | 0 | 112.6 | R728 S731 T732 I821 | R728-T823 HydrophobicContact CG-CG2 4.31Å; R728-T823 PolarHBondContact O-OG1 2.75Å; S731-T823 WeakPolarHBondContact CB-OG1 3.31Å; T732-T823 VanDerWaalsContact OG1-CG2 3.32Å; T732-T823 WeakPolarHBondContact OG1-CG2 3.49Å; I821-T823 PolarHBondContact O-N 3.13Å; I821-T823 VanDerWaalsContact O-N 3.14Å |
| 824 | L | 60.9 | Low | 67.2 | Low | 106 Ų | 106 | 97.9 Ų | 97.9 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -39.9 | -179.2 | -66 | 169.3 | 0 | 0 | 0 | 111.1 | I821 A826 | I821-L824 WeakPolarHBondContact O-CB 3.23Å; I821-L824 PolarHBondContact O-N 3.18Å; L824-A826 VanDerWaalsContact C-N 3.25Å; L824-A826 PolarHBondContact O-N 3.45Å |
| 825 | K | 61.5 | Low | 66.2 | Low | 137 Ų | 137 | 97.1 Ų | 97.1 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.9 | -177.5 | -71.7 | -179.3 | 176.3 | 175.7 | 0 | 115.6 | I821 | I821-K825 HydrophobicContact CG2-CD 4.36Å; I821-K825 HydrophobicContact CG2-CG 4.24Å; I821-K825 PolarHBondContact O-N 3.33Å |
| 826 | A | 53.3 | Low | 65 | Low | 68 Ų | 68 | 104.3 Ų | 104.3 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -11.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | L824 | L824-A826 VanDerWaalsContact C-N 3.25Å; L824-A826 PolarHBondContact O-N 3.45Å |
| 827 | N | 49.5 | Very low | 63.6 | Low | 161 Ų | 161 | 105.7 Ų | 105.7 | 86% | 0.861 | 54% | 0.544 | S | S | * | . | trans | -96.3 | -8.9 | 169.8 | -83.4 | -2.7 | 0 | 0 | 0 | 112.5 | ||||
| 828 | D | 39 | Very low | 62 | Low | 192 Ų | 192 | 98.8 Ų | 98.8 | 100% | 1.027 | 52% | 0.522 | S | S | * | . | trans | -84.9 | 0 | 164.2 | -65 | -25.8 | 0 | 0 | 0 | 108.9 |
Retrieved 828 of 828 residues in 315.4 ms
(Link to these results)