| 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 | 85.8 | Confident | 93.1 | Very high | 209 Ų | 209 | 91.7 Ų | 91.7 | 100% | 1.03 | 52% | 0.523 | S | S | * | . | 0 | 123.4 | 0 | -148.6 | -178.4 | -55.7 | 0 | 0 | 106.9 | T5 I6 | M1-T5 WeakPolarHBondContact CA-OG1 3.44Å; M1-I6 HydrophobicContact CG-CG2 3.66Å; M1-I6 HydrophobicContact SD-CG2 3.63Å | |||
| 2 | S | 92.7 | Very high | 92.9 | Very high | 57 Ų | 57 | 95.8 Ų | 95.8 | 40% | 0.399 | 53% | 0.53 | S | S | . | . | trans | -119.5 | 170.9 | 174.2 | 62.1 | 0 | 0 | 0 | 0 | 110 | D4 T5 I6 | S2-D4 PolarHBondContact O-N 2.81Å; S2-D4 VanDerWaalsContact O-N 3.15Å; S2-T5 PolarHBondContact N-OG1 3.37Å; S2-T5 PolarHBondContact O-N 2.94Å; S2-T5 PolarHBondContact O-OG1 3.15Å; S2-I6 PolarHBondContact O-N 2.84Å | ||
| 3 | C | 91.6 | Very high | 92.6 | Very high | 91 Ų | 91 | 92.9 Ų | 92.9 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -53 | -32.8 | 173.9 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | T5 I6 | C3-T5 PolarHBondContact O-N 3.3Å; C3-I6 WeakPolarHBondContact O-CG1 3.38Å |
| 4 | D | 94.2 | Very high | 92 | Very high | 152 Ų | 152 | 97.8 Ų | 97.8 | 81% | 0.813 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -73.5 | -12.2 | 179.4 | -49.7 | -45.2 | 0 | 0 | 0 | 113.7 | S2 | S2-D4 PolarHBondContact O-N 2.81Å; S2-D4 VanDerWaalsContact O-N 3.15Å |
| 5 | T | 95.6 | Very high | 91.4 | Very high | 92 Ų | 92 | 96.1 Ų | 96.1 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -111.5 | -5.9 | -175.9 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | M1 S2 C3 | M1-T5 WeakPolarHBondContact CA-OG1 3.44Å; S2-T5 PolarHBondContact N-OG1 3.37Å; S2-T5 PolarHBondContact O-N 2.94Å; S2-T5 PolarHBondContact O-OG1 3.15Å; C3-T5 PolarHBondContact O-N 3.3Å |
| 6 | I | 96 | Very high | 90.3 | Very high | 63 Ų | 63 | 92.1 Ų | 92.1 | 32% | 0.323 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -95.4 | 172.3 | 176.3 | 62.5 | 168.7 | 0 | 0 | 0 | 110.7 | M1 S2 C3 P8 V11 | M1-I6 HydrophobicContact CG-CG2 3.66Å; M1-I6 HydrophobicContact SD-CG2 3.63Å; S2-I6 PolarHBondContact O-N 2.84Å; C3-I6 WeakPolarHBondContact O-CG1 3.38Å; I6-P8 WeakPolarHBondContact O-CD 3.36Å; I6-P8 VanDerWaalsContact O-N 3.1Å; I6-V11 HydrophobicContact CD1-CG2 3.75Å; I6-V11 HydrophobicContact CG1-CG2 3.73Å |
| 7 | N | 94.3 | Very high | 89.3 | Confident | 78 Ų | 78 | 87.1 Ų | 87.1 | 42% | 0.417 | 47% | 0.471 | S | S | . | . | trans | -55.3 | 116.6 | 178.5 | -179.1 | -5.6 | 0 | 0 | 0 | 110.8 | H9 V10 V11 | N7-H9 PolarHBondContact O-N 3.31Å; N7-H9 VanDerWaalsContact O-N 3.13Å; N7-H9 VanDerWaalsContact OD1-CB 3.26Å; N7-H9 WeakPolarHBondContact OD1-CB 3.31Å; N7-H9 PolarHBondContact OD1-CD2 3.49Å; N7-H9 PolarHBondContact OD1-N 2.91Å; N7-V10 HydrophobicContact CB-CB 4.37Å; N7-V10 HydrophobicContact CB-CG2 3.92Å; N7-V10 WeakPolarHBondContact O-CB 3.27Å; N7-V10 PolarHBondContact O-N 2.97Å; N7-V11 PolarHBondContact O-N 3.48Å | ||
| 8 | P | 93.9 | Very high | 88.5 | Confident | 76 Ų | 76 | 92.3 Ų | 92.3 | 49% | 0.494 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -22.9 | -177.9 | 25.9 | -35.7 | 0 | 0 | 0 | 113 | I6 V10 V11 K12 | I6-P8 WeakPolarHBondContact O-CD 3.36Å; I6-P8 VanDerWaalsContact O-N 3.1Å; P8-V10 VanDerWaalsContact C-N 3.35Å; P8-V11 PolarHBondContact O-N 2.97Å; P8-K12 WeakPolarHBondContact O-CG 3.48Å; P8-K12 PolarHBondContact O-N 3.31Å; P8-K12 VanDerWaalsContact O-N 3.09Å |
| 9 | H | 94.3 | Very high | 88.2 | Confident | 41 Ų | 41 | 88.2 Ų | 88.2 | 19% | 0.19 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -68.4 | -34.3 | 174.3 | -62.3 | -57.8 | 0 | 0 | 0 | 112.3 | N7 K12 L13 A176 N179 | N7-H9 PolarHBondContact O-N 3.31Å; N7-H9 VanDerWaalsContact O-N 3.13Å; N7-H9 VanDerWaalsContact OD1-CB 3.26Å; N7-H9 WeakPolarHBondContact OD1-CB 3.31Å; N7-H9 PolarHBondContact OD1-CD2 3.49Å; N7-H9 PolarHBondContact OD1-N 2.91Å; H9-K12 PolarHBondContact O-N 3.19Å; H9-L13 PolarHBondContact O-N 3.2Å; H9-A176 VanDerWaalsContact CB-O 3.27Å; H9-A176 WeakPolarHBondContact CB-O 3.45Å; H9-N179 VanDerWaalsContact CE1-CB 3.43Å; H9-N179 WeakPolarHBondContact CE1-CB 3.37Å; H9-N179 PolarHBondContact CE1-OD1 3.46Å |
| 10 | V | 93 | Very high | 88.2 | Confident | 75 Ų | 75 | 88 Ų | 88 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.3 | -35.4 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | N7 P8 K12 L13 | N7-V10 HydrophobicContact CB-CB 4.37Å; N7-V10 HydrophobicContact CB-CG2 3.92Å; N7-V10 WeakPolarHBondContact O-CB 3.27Å; N7-V10 PolarHBondContact O-N 2.97Å; P8-V10 VanDerWaalsContact C-N 3.35Å; V10-K12 VanDerWaalsContact C-N 3.34Å; V10-L13 WeakPolarHBondContact O-CB 3.29Å; V10-L13 PolarHBondContact O-N 3.37Å |
| 11 | V | 92.9 | Very high | 88.4 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 175.8 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | I6 N7 P8 L13 | I6-V11 HydrophobicContact CD1-CG2 3.75Å; I6-V11 HydrophobicContact CG1-CG2 3.73Å; N7-V11 PolarHBondContact O-N 3.48Å; P8-V11 PolarHBondContact O-N 2.97Å; V11-L13 VanDerWaalsContact C-N 3.32Å |
| 12 | K | 90.2 | Very high | 88.6 | Confident | 141 Ų | 141 | 75.7 Ų | 75.7 | 61% | 0.613 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.2 | -21.7 | 178 | -72.3 | 175.3 | -175.1 | 177.6 | 0 | 113.6 | P8 H9 V10 Q14 | P8-K12 WeakPolarHBondContact O-CG 3.48Å; P8-K12 PolarHBondContact O-N 3.31Å; P8-K12 VanDerWaalsContact O-N 3.09Å; H9-K12 PolarHBondContact O-N 3.19Å; V10-K12 VanDerWaalsContact C-N 3.34Å; K12-Q14 PolarHBondContact O-N 2.89Å |
| 13 | L | 89.6 | Confident | 88.7 | Confident | 58 Ų | 58 | 78 Ų | 78 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | trans | -63.4 | 125.5 | -177.6 | -174.8 | 158.1 | 0 | 0 | 0 | 110.4 | H9 V10 V11 A173 A176 E177 | H9-L13 PolarHBondContact O-N 3.2Å; V10-L13 WeakPolarHBondContact O-CB 3.29Å; V10-L13 PolarHBondContact O-N 3.37Å; V11-L13 VanDerWaalsContact C-N 3.32Å; L13-A173 HydrophobicContact CD1-CB 4.18Å; L13-A173 WeakPolarHBondContact CD1-O 3.43Å; L13-A173 HydrophobicContact CD2-CB 4.04Å; L13-A173 HydrophobicContact CG-CB 3.83Å; L13-A176 HydrophobicContact CB-CB 4.45Å; L13-E177 HydrophobicContact CD1-CB 4.1Å | ||
| 14 | Q | 84.6 | Confident | 88.9 | Confident | 161 Ų | 161 | 75.8 Ų | 75.8 | 75% | 0.752 | 40% | 0.395 | S | S | * | . | trans | -122.8 | 140.2 | 172.6 | -64.3 | -174.8 | -7.1 | 0 | 0 | 110.1 | K12 | K12-Q14 PolarHBondContact O-N 2.89Š| ||
| 15 | Y | 82.2 | Confident | 89 | Confident | 72 Ų | 72 | 68.8 Ų | 68.8 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | trans | -140.5 | 89.6 | 178.1 | -171.5 | -104 | 0 | 0 | 0 | 111.2 | V17 R18 Y168 P169 A173 | Y15-V17 VanDerWaalsContact C-N 3.3Å; Y15-V17 HydrophobicContact CD1-CB 4.44Å; Y15-V17 HydrophobicContact CE1-CB 3.84Å; Y15-V17 PolarHBondContact O-N 3.37Å; Y15-R18 HydrophobicContact CE1-CG 4.41Å; Y15-R18 PolarHBondContact O-N 3.02Å; Y15-Y168 HydrophobicContact CE2-CE2 4.44Å; Y15-Y168 WeakPolarHBondContact OH-CE2 3.43Å; Y15-Y168 PolarHBondContact OH-OH 2.99Å; Y15-P169 HydrophobicContact CD2-CB 3.89Å; Y15-P169 HydrophobicContact CE2-CB 4.1Å; Y15-A173 HydrophobicContact CD2-CB 4.32Å | ||
| 16 | A | 73.7 | Confident | 88.9 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -66.8 | -22.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R18 G19 G435 | A16-R18 PolarHBondContact O-N 3.42Å; A16-G19 PolarHBondContact O-N 2.99Å; A16-G435 WeakPolarHBondContact CB-O 3.33Å |
| 17 | V | 73.1 | Confident | 89 | Confident | 6 Ų | 6 | 70.1 Ų | 70.1 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -62.3 | -18.9 | -178.4 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | Y15 P169 F436 | Y15-V17 VanDerWaalsContact C-N 3.3Å; Y15-V17 HydrophobicContact CD1-CB 4.44Å; Y15-V17 HydrophobicContact CE1-CB 3.84Å; Y15-V17 PolarHBondContact O-N 3.37Å; V17-P169 HydrophobicContact CG2-CG 4.23Å; V17-F436 HydrophobicContact CG2-CE1 4.2Å; V17-F436 HydrophobicContact CG2-CZ 4.48Å |
| 18 | R | 76 | Confident | 89.1 | Confident | 181 Ų | 181 | 66.4 Ų | 66.4 | 68% | 0.683 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -122.8 | 31.1 | 172.8 | -64.5 | -171.6 | 173.3 | -166 | -2.1 | 112.2 | Y15 A16 | Y15-R18 HydrophobicContact CE1-CG 4.41Å; Y15-R18 PolarHBondContact O-N 3.02Å; A16-R18 PolarHBondContact O-N 3.42Å |
| 19 | G | 81.4 | Confident | 89.2 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -82.9 | -162.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A16 I21 V22 L23 | A16-G19 PolarHBondContact O-N 2.99Å; G19-I21 VanDerWaalsContact C-N 3.3Å; G19-I21 PolarHBondContact O-N 3.12Å; G19-V22 WeakPolarHBondContact O-CB 3.26Å; G19-V22 PolarHBondContact O-N 3.31Å; G19-L23 PolarHBondContact O-N 3.47Å |
| 20 | P | 89 | Confident | 89.2 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.4 | -32.7 | -171.9 | -26.8 | 34.4 | 0 | 0 | 0 | 115.6 | V22 L23 R24 F416 | P20-V22 VanDerWaalsContact C-N 3.28Å; P20-V22 PolarHBondContact O-N 3.13Å; P20-L23 PolarHBondContact O-N 2.7Å; P20-R24 PolarHBondContact O-N 3.46Å; P20-F416 HydrophobicContact CB-CE2 3.95Å; P20-F416 HydrophobicContact CB-CZ 3.93Å; P20-F416 HydrophobicContact CG-CE2 4.36Å |
| 21 | I | 92.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 176 | -59.8 | -155.1 | 0 | 0 | 0 | 111.1 | G19 R24 A25 F416 C419 L423 P432 | G19-I21 VanDerWaalsContact C-N 3.3Å; G19-I21 PolarHBondContact O-N 3.12Å; I21-R24 PolarHBondContact O-N 3.36Å; I21-A25 WeakPolarHBondContact O-CB 3.27Å; I21-A25 PolarHBondContact O-N 3.3Å; I21-F416 HydrophobicContact CD1-CD2 4.19Å; I21-F416 HydrophobicContact CD1-CE2 4.19Å; I21-F416 HydrophobicContact CG1-CD2 4.02Å; I21-F416 HydrophobicContact CG1-CE2 3.54Å; I21-F416 HydrophobicContact CG1-CZ 4.08Å; I21-C419 HydrophobicContact CD1-CB 3.33Å; I21-L423 HydrophobicContact CG2-CD2 3.73Å; I21-L423 WeakPolarHBondContact O-CD2 3.26Å; I21-P432 HydrophobicContact CD1-CG 4.03Å |
| 22 | V | 91.1 | Very high | 89.5 | Confident | 31 Ų | 31 | 66.8 Ų | 66.8 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.5 | -38.8 | 178.5 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | G19 P20 R24 A25 L26 N47 | G19-V22 WeakPolarHBondContact O-CB 3.26Å; G19-V22 PolarHBondContact O-N 3.31Å; P20-V22 VanDerWaalsContact C-N 3.28Å; P20-V22 PolarHBondContact O-N 3.13Å; V22-R24 VanDerWaalsContact C-N 3.34Å; V22-A25 WeakPolarHBondContact O-CB 3.37Å; V22-A25 PolarHBondContact O-N 3.36Å; V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.19Å; V22-N47 WeakPolarHBondContact CG2-ND2 3.13Å |
| 23 | L | 93.1 | Very high | 89.7 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 174.2 | -62.9 | 177.2 | 0 | 0 | 0 | 110.9 | G19 P20 A25 L26 E27 | G19-L23 PolarHBondContact O-N 3.47Å; P20-L23 PolarHBondContact O-N 2.7Å; L23-A25 VanDerWaalsContact C-N 3.31Å; L23-A25 PolarHBondContact O-N 2.98Å; L23-L26 WeakPolarHBondContact O-CB 3.44Å; L23-L26 PolarHBondContact O-N 2.96Å; L23-E27 WeakPolarHBondContact O-CG 3.42Å; L23-E27 PolarHBondContact O-N 3.13Å |
| 24 | R | 96 | Very high | 90 | Very high | 46 Ų | 46 | 68.7 Ų | 68.7 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.9 | -174.7 | 59.8 | -179.9 | 136.6 | 5.8 | 112.4 | P20 I21 V22 L26 E27 L28 E31 L420 L423 E424 | P20-R24 PolarHBondContact O-N 3.46Å; I21-R24 PolarHBondContact O-N 3.36Å; V22-R24 VanDerWaalsContact C-N 3.34Å; R24-L26 VanDerWaalsContact C-N 3.33Å; R24-L26 PolarHBondContact O-N 3.25Å; R24-E27 VanDerWaalsContact CD-OE2 3.28Å; R24-E27 WeakPolarHBondContact CD-OE2 3.42Å; R24-E27 IonicContact CZ-OE2 3.27Å; R24-E27 IonicContact NE-OE2 3.48Å; R24-E27 IonicContact NH1-OE2 2.89Å; R24-E27 PolarHBondContact NH1-OE2 3.45Å; R24-E27 WeakPolarHBondContact O-CB 3.45Å; R24-E27 PolarHBondContact O-N 3Å; R24-L28 HydrophobicContact CG-CD1 4.31Å; R24-L28 WeakPolarHBondContact O-CG 3.43Å; R24-L28 PolarHBondContact O-N 2.95Å; R24-E31 IonicContact CZ-OE1 3.93Å; R24-E31 IonicContact NH1-OE1 3.05Å; R24-E31 PolarHBondContact NH1-OE1 3.09Å; R24-E31 IonicContact NH2-OE1 3.88Å; R24-L420 HydrophobicContact CB-CD1 4.33Å; R24-L420 HydrophobicContact CG-CD1 3.91Å; R24-L423 HydrophobicContact CB-CD2 4.01Å; R24-L423 HydrophobicContact CG-CD2 4.02Å; R24-E424 IonicContact CZ-OE1 2.8Å; R24-E424 IonicContact NE-OE1 3.2Å; R24-E424 PolarHBondContact NE-OE1 3.35Å; R24-E424 IonicContact NH2-OE1 3.4Å; R24-E424 PolarHBondContact NH2-OE1 2.87Å |
| 25 | A | 96 | Very high | 90.4 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.033 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I21 V22 L23 L28 E29 I43 L423 C429 | I21-A25 WeakPolarHBondContact O-CB 3.27Å; I21-A25 PolarHBondContact O-N 3.3Å; V22-A25 WeakPolarHBondContact O-CB 3.37Å; V22-A25 PolarHBondContact O-N 3.36Å; L23-A25 VanDerWaalsContact C-N 3.31Å; L23-A25 PolarHBondContact O-N 2.98Å; A25-L28 PolarHBondContact O-N 3.48Å; A25-E29 WeakPolarHBondContact O-CG 3.29Å; A25-E29 PolarHBondContact O-N 2.89Å; A25-I43 HydrophobicContact CB-CG2 4.22Å; A25-L423 HydrophobicContact CB-CD1 4.04Å; A25-L423 HydrophobicContact CB-CD2 4.02Å; A25-C429 HydrophobicContact CB-CB 4.5Å |
| 26 | L | 95 | Very high | 90.8 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 44% | 0.44 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 175.7 | -66.6 | 171.2 | 0 | 0 | 0 | 112.3 | V22 L23 R24 E29 K30 | V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.19Å; L23-L26 WeakPolarHBondContact O-CB 3.44Å; L23-L26 PolarHBondContact O-N 2.96Å; R24-L26 VanDerWaalsContact C-N 3.33Å; R24-L26 PolarHBondContact O-N 3.25Å; L26-E29 PolarHBondContact O-N 3.48Å; L26-K30 PolarHBondContact O-N 3.34Å |
| 27 | E | 96.5 | Very high | 91.7 | Very high | 100 Ų | 100 | 71 Ų | 71 | 47% | 0.467 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 173.3 | -69.3 | 170.8 | -174.2 | 0 | 0 | 111.5 | L23 R24 K30 E31 | L23-E27 WeakPolarHBondContact O-CG 3.42Å; L23-E27 PolarHBondContact O-N 3.13Å; R24-E27 VanDerWaalsContact CD-OE2 3.28Å; R24-E27 WeakPolarHBondContact CD-OE2 3.42Å; R24-E27 IonicContact CZ-OE2 3.27Å; R24-E27 IonicContact NE-OE2 3.48Å; R24-E27 IonicContact NH1-OE2 2.89Å; R24-E27 PolarHBondContact NH1-OE2 3.45Å; R24-E27 WeakPolarHBondContact O-CB 3.45Å; R24-E27 PolarHBondContact O-N 3Å; E27-K30 CarbonylContact O-C 3.55Å; E27-K30 WeakPolarHBondContact O-CB 3.38Å; E27-K30 PolarHBondContact O-N 3.13Å; E27-K30 VanDerWaalsContact O-N 3.16Å; E27-E31 WeakPolarHBondContact O-CG 3.25Å; E27-E31 PolarHBondContact O-N 3.36Å |
| 28 | L | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.2 | -71.6 | 169.1 | 0 | 0 | 0 | 112.2 | R24 A25 K30 E31 I32 F40 I43 L423 E424 | R24-L28 HydrophobicContact CG-CD1 4.31Å; R24-L28 WeakPolarHBondContact O-CG 3.43Å; R24-L28 PolarHBondContact O-N 2.95Å; A25-L28 PolarHBondContact O-N 3.48Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.45Å; L28-E31 PolarHBondContact O-N 3.23Å; L28-I32 WeakPolarHBondContact O-CB 3.28Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.46Å; L28-I32 PolarHBondContact O-N 3.2Å; L28-F40 HydrophobicContact CD1-CZ 4.4Å; L28-I43 HydrophobicContact CB-CD1 4Å; L28-I43 HydrophobicContact CB-CG1 4.45Å; L28-I43 HydrophobicContact CD1-CD1 4.22Å; L28-L423 HydrophobicContact CD1-CD1 4.07Å; L28-L423 HydrophobicContact CD1-CD2 4.28Å; L28-L423 HydrophobicContact CD1-CG 3.74Å; L28-E424 HydrophobicContact CD1-CG 4.45Å |
| 29 | E | 95.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 72.5 Ų | 72.5 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 172.4 | -74.7 | 173.7 | 178.1 | 0 | 0 | 110.8 | A25 L26 I32 S33 I43 R45 | A25-E29 WeakPolarHBondContact O-CG 3.29Å; A25-E29 PolarHBondContact O-N 2.89Å; L26-E29 PolarHBondContact O-N 3.48Å; E29-I32 PolarHBondContact O-N 3.07Å; E29-S33 WeakPolarHBondContact O-CB 3.4Å; E29-S33 PolarHBondContact O-N 3.16Å; E29-I43 HydrophobicContact CG-CB 4.02Å; E29-I43 HydrophobicContact CG-CG1 3.58Å; E29-R45 VanDerWaalsContact CD-NH2 3.27Å; E29-R45 IonicContact OE1-CZ 2.84Å; E29-R45 IonicContact OE1-NE 2.66Å; E29-R45 PolarHBondContact OE1-NE 3.19Å; E29-R45 IonicContact OE1-NH2 2.71Å; E29-R45 PolarHBondContact OE1-NH2 2.84Å; E29-R45 IonicContact OE2-CZ 3.61Å; E29-R45 IonicContact OE2-NH2 2.79Å; E29-R45 PolarHBondContact OE2-NH2 3.12Å |
| 30 | K | 96 | Very high | 93.8 | Very high | 129 Ų | 129 | 72.3 Ų | 72.3 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.7 | -46.2 | 176 | -173.6 | 178.8 | 177.9 | -176.9 | 0 | 111.8 | L26 E27 L28 I32 S33 Q34 | L26-K30 PolarHBondContact O-N 3.34Å; E27-K30 CarbonylContact O-C 3.55Å; E27-K30 WeakPolarHBondContact O-CB 3.38Å; E27-K30 PolarHBondContact O-N 3.13Å; E27-K30 VanDerWaalsContact O-N 3.16Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.45Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 2.98Å; K30-S33 PolarHBondContact O-N 3.23Å; K30-S33 PolarHBondContact O-OG 2.83Å; K30-Q34 VanDerWaalsContact O-CG 3.31Å; K30-Q34 WeakPolarHBondContact O-CG 3.36Å; K30-Q34 PolarHBondContact O-N 2.63Å |
| 31 | E | 96.2 | Very high | 93.9 | Very high | 52 Ų | 52 | 74.5 Ų | 74.5 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.8 | -45.4 | 176.3 | -72.5 | 174.6 | -149.9 | 0 | 0 | 111.5 | R24 E27 L28 Q34 G35 S36 K38 | R24-E31 IonicContact CZ-OE1 3.93Å; R24-E31 IonicContact NH1-OE1 3.05Å; R24-E31 PolarHBondContact NH1-OE1 3.09Å; R24-E31 IonicContact NH2-OE1 3.88Å; E27-E31 WeakPolarHBondContact O-CG 3.25Å; E27-E31 PolarHBondContact O-N 3.36Å; L28-E31 PolarHBondContact O-N 3.23Å; E31-Q34 CarbonylContact O-C 3.54Å; E31-Q34 PolarHBondContact O-N 2.84Å; E31-G35 PolarHBondContact O-N 3.33Å; E31-S36 WeakPolarHBondContact O-CB 3.11Å; E31-S36 PolarHBondContact O-N 2.9Å; E31-K38 WeakPolarHBondContact OE2-CE 3.17Å; E31-K38 IonicContact OE2-NZ 3.51Å; E31-K38 PolarHBondContact OE2-NZ 3.05Å |
| 32 | I | 94.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 79 Ų | 79 | 20% | 0.195 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 177.5 | -70.2 | 166.2 | 0 | 0 | 0 | 110.6 | L28 E29 K30 Q34 G35 K38 F40 | L28-I32 WeakPolarHBondContact O-CB 3.28Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.46Å; L28-I32 PolarHBondContact O-N 3.2Å; E29-I32 PolarHBondContact O-N 3.07Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 2.98Å; I32-Q34 PolarHBondContact O-N 2.79Å; I32-G35 PolarHBondContact O-N 3.02Å; I32-K38 HydrophobicContact CD1-CG 4.38Å; I32-K38 HydrophobicContact CG1-CG 3.93Å; I32-F40 HydrophobicContact CD1-CD2 3.77Å; I32-F40 HydrophobicContact CD1-CE2 3.57Å |
| 33 | S | 93.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 78.1 Ų | 78.1 | 66% | 0.664 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.6 | -25.2 | 177.7 | 76.4 | 0 | 0 | 0 | 0 | 113.1 | E29 K30 G35 | E29-S33 WeakPolarHBondContact O-CB 3.4Å; E29-S33 PolarHBondContact O-N 3.16Å; K30-S33 PolarHBondContact O-N 3.23Å; K30-S33 PolarHBondContact O-OG 2.83Å; S33-G35 VanDerWaalsContact C-N 3.31Å |
| 34 | Q | 95.6 | Very high | 94.2 | Very high | 143 Ų | 143 | 73.6 Ų | 73.6 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.6 | 176 | -68.2 | 176.6 | -16.5 | 0 | 0 | 113.3 | K30 E31 I32 | K30-Q34 VanDerWaalsContact O-CG 3.31Å; K30-Q34 WeakPolarHBondContact O-CG 3.36Å; K30-Q34 PolarHBondContact O-N 2.63Å; E31-Q34 CarbonylContact O-C 3.54Å; E31-Q34 PolarHBondContact O-N 2.84Å; I32-Q34 PolarHBondContact O-N 2.79Å |
| 35 | G | 93 | Very high | 94.1 | Very high | 59 Ų | 59 | 77 Ų | 77 | 61% | 0.608 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | 10.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E31 I32 S33 K37 | E31-G35 PolarHBondContact O-N 3.33Å; I32-G35 PolarHBondContact O-N 3.02Å; S33-G35 VanDerWaalsContact C-N 3.31Å; G35-K37 PolarHBondContact O-N 3.13Å |
| 36 | S | 92.3 | Very high | 94.1 | Very high | 50 Ų | 50 | 76.8 Ų | 76.8 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | trans | -61.7 | 122.4 | 173 | -169.6 | 0 | 0 | 0 | 0 | 110.2 | E31 K38 | E31-S36 WeakPolarHBondContact O-CB 3.11Å; E31-S36 PolarHBondContact O-N 2.9Å; S36-K38 PolarHBondContact O-N 2.71Å | ||
| 37 | K | 91 | Very high | 93.9 | Very high | 206 Ų | 206 | 73.2 Ų | 73.2 | 90% | 0.896 | 36% | 0.36 | S | S | * | . | trans | -78 | 108 | 177 | -67.7 | -171.6 | -179.9 | -177.4 | 0 | 109.4 | G35 | G35-K37 PolarHBondContact O-N 3.13Š| ||
| 38 | K | 91.3 | Very high | 93.5 | Very high | 69 Ų | 69 | 70.5 Ų | 70.5 | 30% | 0.3 | 35% | 0.349 | S | S | . | . | trans | -107.8 | 168 | 171.2 | -58.2 | -67.6 | -176.3 | 169.2 | 0 | 109.9 | E31 I32 S36 F40 | E31-K38 WeakPolarHBondContact OE2-CE 3.17Å; E31-K38 IonicContact OE2-NZ 3.51Å; E31-K38 PolarHBondContact OE2-NZ 3.05Å; I32-K38 HydrophobicContact CD1-CG 4.38Å; I32-K38 HydrophobicContact CG1-CG 3.93Å; S36-K38 PolarHBondContact O-N 2.71Å; K38-F40 HydrophobicContact CB-CD1 4.33Å; K38-F40 HydrophobicContact CB-CD2 4.44Å; K38-F40 HydrophobicContact CB-CE1 4.18Å; K38-F40 HydrophobicContact CB-CE2 4.3Å; K38-F40 HydrophobicContact CB-CG 4.47Å; K38-F40 HydrophobicContact CB-CZ 4.18Å; K38-F40 WeakPolarHBondContact CB-O 3.08Å; K38-F40 HydrophobicContact CG-CZ 4.35Å; K38-F40 PolarHBondContact O-N 2.66Å | ||
| 39 | R | 90.8 | Very high | 93.2 | Very high | 149 Ų | 149 | 70.8 Ų | 70.8 | 56% | 0.562 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -64.5 | -28.2 | 173.8 | -175.2 | 178.5 | -173.9 | 156.4 | -0.5 | 112.3 | Y426 E465 | R39-Y426 VanDerWaalsContact CZ-CE1 3.47Å; R39-Y426 VanDerWaalsContact CZ-CZ 3.48Å; R39-Y426 VanDerWaalsContact CZ-OH 3.25Å; R39-Y426 VanDerWaalsContact NH1-CZ 3.26Å; R39-Y426 PolarHBondContact NH1-OH 2.96Å; R39-Y426 PolarHBondContact NH2-OH 3.39Å; R39-E465 IonicContact CZ-OE2 3.78Å; R39-E465 IonicContact NH2-OE2 3.21Å; R39-E465 PolarHBondContact NH2-OE2 3.49Å |
| 40 | F | 93 | Very high | 93.1 | Very high | 10 Ų | 10 | 70.6 Ų | 70.6 | 4% | 0.044 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -111.1 | 155.2 | 177.8 | 51.3 | -86.3 | 0 | 0 | 0 | 110.3 | L28 I32 K38 K42 I43 E424 | L28-F40 HydrophobicContact CD1-CZ 4.4Å; I32-F40 HydrophobicContact CD1-CD2 3.77Å; I32-F40 HydrophobicContact CD1-CE2 3.57Å; K38-F40 HydrophobicContact CB-CD1 4.33Å; K38-F40 HydrophobicContact CB-CD2 4.44Å; K38-F40 HydrophobicContact CB-CE1 4.18Å; K38-F40 HydrophobicContact CB-CE2 4.3Å; K38-F40 HydrophobicContact CB-CG 4.47Å; K38-F40 HydrophobicContact CB-CZ 4.18Å; K38-F40 WeakPolarHBondContact CB-O 3.08Å; K38-F40 HydrophobicContact CG-CZ 4.35Å; K38-F40 PolarHBondContact O-N 2.66Å; F40-K42 WeakPolarHBondContact CD2-O 3.38Å; F40-I43 HydrophobicContact CD2-CD1 4.11Å; F40-I43 HydrophobicContact CE2-CD1 3.42Å; F40-I43 VanDerWaalsContact CE2-CD1 3.42Å; F40-I43 HydrophobicContact CZ-CD1 4.13Å; F40-E424 WeakPolarHBondContact CE1-O 3.34Å |
| 41 | N | 91.4 | Very high | 93 | Very high | 132 Ų | 132 | 64.5 Ų | 64.5 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -101.7 | -11.4 | -179.8 | 62 | -4.3 | 0 | 0 | 0 | 113.7 | ||
| 42 | K | 93.6 | Very high | 93 | Very high | 101 Ų | 101 | 64.5 Ų | 64.5 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -152.5 | 156.2 | 176.8 | 68.8 | -179.7 | -173.7 | 172.4 | 0 | 110.2 | F40 E455 | F40-K42 WeakPolarHBondContact CD2-O 3.38Å; K42-E455 WeakPolarHBondContact CE-OE1 3.32Å; K42-E455 IonicContact NZ-OE1 2.82Å; K42-E455 PolarHBondContact NZ-OE1 2.7Å |
| 43 | I | 95.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 66.2 Ų | 66.2 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | trans | -79 | 128 | 167.1 | -60.9 | -56.5 | 0 | 0 | 0 | 109 | A25 L28 E29 F40 R45 L423 G427 C429 | A25-I43 HydrophobicContact CB-CG2 4.22Å; L28-I43 HydrophobicContact CB-CD1 4Å; L28-I43 HydrophobicContact CB-CG1 4.45Å; L28-I43 HydrophobicContact CD1-CD1 4.22Å; E29-I43 HydrophobicContact CG-CB 4.02Å; E29-I43 HydrophobicContact CG-CG1 3.58Å; F40-I43 HydrophobicContact CD2-CD1 4.11Å; F40-I43 HydrophobicContact CE2-CD1 3.42Å; F40-I43 VanDerWaalsContact CE2-CD1 3.42Å; F40-I43 HydrophobicContact CZ-CD1 4.13Å; I43-R45 HydrophobicContact CG2-CG 4.21Å; I43-L423 HydrophobicContact CD1-CD1 3.86Å; I43-L423 HydrophobicContact CG2-CD1 4.31Å; I43-G427 CarbonylContact C-O 3.59Å; I43-G427 WeakPolarHBondContact CA-O 3.21Å; I43-C429 HydrophobicContact CG2-CB 3.9Å | ||
| 44 | I | 94.9 | Very high | 92.6 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 110.1 | 169.8 | -51.5 | 176 | 0 | 0 | 0 | 107.4 | C46 G427 C429 P451 L458 V459 | I44-C46 PolarHBondContact O-N 3.41Å; I44-G427 PolarHBondContact N-O 3.27Å; I44-C429 PolarHBondContact O-N 2.91Å; I44-P451 HydrophobicContact CG2-CG 4.34Å; I44-L458 HydrophobicContact CD1-CD2 4.01Å; I44-L458 HydrophobicContact CD1-CG 4.42Å; I44-V459 HydrophobicContact CB-CG2 4.12Å; I44-V459 HydrophobicContact CD1-CG2 3.79Å; I44-V459 HydrophobicContact CG2-CG2 3.62Å |
| 45 | R | 93.1 | Very high | 92.4 | Very high | 118 Ų | 118 | 58.6 Ų | 58.6 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 96.6 | -176.3 | -67 | -176.6 | -179.6 | -172 | -0.3 | 110.3 | E29 I43 | E29-R45 VanDerWaalsContact CD-NH2 3.27Å; E29-R45 IonicContact OE1-CZ 2.84Å; E29-R45 IonicContact OE1-NE 2.66Å; E29-R45 PolarHBondContact OE1-NE 3.19Å; E29-R45 IonicContact OE1-NH2 2.71Å; E29-R45 PolarHBondContact OE1-NH2 2.84Å; E29-R45 IonicContact OE2-CZ 3.61Å; E29-R45 IonicContact OE2-NH2 2.79Å; E29-R45 PolarHBondContact OE2-NH2 3.12Å; I43-R45 HydrophobicContact CG2-CG 4.21Å |
| 46 | C | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -105.1 | 17.9 | 172.5 | -54 | 0 | 0 | 0 | 0 | 112.5 | I44 C429 V430 I447 T448 | I44-C46 PolarHBondContact O-N 3.41Å; C46-C429 CarbonylContact C-O 3.56Å; C46-C429 VanDerWaalsContact CA-O 3.24Å; C46-C429 WeakPolarHBondContact CA-O 3.34Å; C46-C429 WeakPolarHBondContact CB-O 3.37Å; C46-C429 PolarHBondContact N-O 3.49Å; C46-V430 HydrophobicContact CB-CG1 4.26Å; C46-I447 HydrophobicContact CB-CD1 4.43Å; C46-I447 HydrophobicContact CB-CG1 3.86Å; C46-T448 VanDerWaalsContact O-CG2 3.22Å; C46-T448 WeakPolarHBondContact O-CG2 3.14Å; C46-T448 PolarHBondContact O-N 3.46Å | ||
| 47 | N | 91.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.043 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -98.8 | -18.1 | -171.5 | 68.7 | -63.4 | 0 | 0 | 0 | 113.8 | V22 C429 V431 R446 | V22-N47 WeakPolarHBondContact CG2-ND2 3.13Å; N47-C429 PolarHBondContact N-O 3.16Å; N47-V431 HydrophobicContact CB-CG2 3.68Å; N47-V431 WeakPolarHBondContact O-CG2 3.39Å; N47-R446 PolarHBondContact O-NH2 2.85Å |
| 48 | I | 88.2 | Confident | 92.8 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -132.4 | 140.8 | -172.9 | -168.5 | 165.5 | 0 | 0 | 0 | 111.9 | D50 T448 | I48-D50 HydrophobicContact CG1-CB 4.43Å; I48-D50 HydrophobicContact CG2-CB 4.06Å; I48-D50 PolarHBondContact O-N 3.36Å; I48-T448 VanDerWaalsContact O-CG2 3.32Å; I48-T448 WeakPolarHBondContact O-CG2 3.3Å |
| 49 | G | 90.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | trans | -79.4 | 63.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C299 Y392 L450 | G49-C299 PolarHBondContact O-SG 3.36Å; G49-Y392 VanDerWaalsContact CA-OH 3.23Å; G49-Y392 WeakPolarHBondContact CA-OH 3.18Å; G49-Y392 PolarHBondContact N-OH 2.97Å; G49-L450 VanDerWaalsContact CA-CD1 3.48Å | ||
| 50 | D | 93.3 | Very high | 93.5 | Very high | 52 Ų | 52 | 48 Ų | 48 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | trans | -111.4 | 94.2 | 178.1 | -168.1 | -25.5 | 0 | 0 | 0 | 110.2 | I48 H52 A53 S54 L450 | I48-D50 HydrophobicContact CG1-CB 4.43Å; I48-D50 HydrophobicContact CG2-CB 4.06Å; I48-D50 PolarHBondContact O-N 3.36Å; D50-H52 PolarHBondContact O-N 3.31Å; D50-A53 HydrophobicContact CB-CB 3.88Å; D50-A53 VanDerWaalsContact CG-CB 3.43Å; D50-A53 PolarHBondContact O-N 3.08Å; D50-A53 PolarHBondContact OD1-N 3.2Å; D50-S54 PolarHBondContact O-N 3.21Å; D50-S54 PolarHBondContact O-OG 3.41Å; D50-L450 VanDerWaalsContact N-CD1 3.31Å | ||
| 51 | C | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -49.6 | -169.7 | -61 | 0 | 0 | 0 | 0 | 112.5 | S54 G55 Q56 L450 | C51-S54 PolarHBondContact O-N 2.76Å; C51-G55 PolarHBondContact O-N 2.95Å; C51-Q56 HydrophobicContact CB-CB 4Å; C51-Q56 HydrophobicContact CB-CG 4.41Å; C51-Q56 WeakPolarHBondContact O-CB 3.43Å; C51-Q56 PolarHBondContact O-N 2.94Å; C51-L450 HydrophobicContact CB-CD2 4.4Å |
| 52 | H | 94.8 | Very high | 94.1 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -34.5 | -176.3 | -63 | 157.8 | 0 | 0 | 0 | 112.5 | D50 S54 G55 Q56 R63 E298 | D50-H52 PolarHBondContact O-N 3.31Å; H52-S54 PolarHBondContact O-N 2.81Å; H52-G55 PolarHBondContact O-N 3Å; H52-Q56 PolarHBondContact CD2-O 3.48Å; H52-R63 PolarHBondContact CE1-NH2 2.72Å; H52-R63 PolarHBondContact ND1-NH2 3.44Å; H52-E298 IonicContact CE1-OE1 3.03Å; H52-E298 PolarHBondContact CE1-OE1 3.25Å; H52-E298 IonicContact CE1-OE2 3.97Å; H52-E298 PolarHBondContact CE1-OE2 3.14Å; H52-E298 IonicContact ND1-OE2 3.8Å |
| 53 | A | 91.7 | Very high | 94.3 | Very high | 75 Ų | 75 | 40.7 Ų | 40.7 | 62% | 0.62 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D50 | D50-A53 HydrophobicContact CB-CB 3.88Å; D50-A53 VanDerWaalsContact CG-CB 3.43Å; D50-A53 PolarHBondContact O-N 3.08Å; D50-A53 PolarHBondContact OD1-N 3.2Å |
| 54 | S | 90.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 42 Ų | 42 | 13% | 0.126 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 5.9 | 174.3 | -61.8 | 0 | 0 | 0 | 0 | 114.3 | D50 C51 H52 L450 | D50-S54 PolarHBondContact O-N 3.21Å; D50-S54 PolarHBondContact O-OG 3.41Å; C51-S54 PolarHBondContact O-N 2.76Å; H52-S54 PolarHBondContact O-N 2.81Å; S54-L450 WeakPolarHBondContact OG-CB 3.36Å |
| 55 | G | 90.7 | Very high | 94.6 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 62% | 0.619 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.4 | 5.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | C51 H52 R57 | C51-G55 PolarHBondContact O-N 2.95Å; H52-G55 PolarHBondContact O-N 3Å; G55-R57 PolarHBondContact O-N 3.22Å |
| 56 | Q | 94.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 9% | 0.093 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 128.2 | 169.5 | -173.8 | 177.4 | -57.1 | 0 | 0 | 109 | C51 H52 Y295 V361 | C51-Q56 HydrophobicContact CB-CB 4Å; C51-Q56 HydrophobicContact CB-CG 4.41Å; C51-Q56 WeakPolarHBondContact O-CB 3.43Å; C51-Q56 PolarHBondContact O-N 2.94Å; H52-Q56 PolarHBondContact CD2-O 3.48Å; Q56-Y295 PolarHBondContact NE2-O 2.86Å; Q56-V361 HydrophobicContact CG-CG1 4.01Å; Q56-V361 HydrophobicContact CG-CG2 4.13Å |
| 57 | R | 94.2 | Very high | 94.9 | Very high | 187 Ų | 187 | 39 Ų | 39 | 71% | 0.706 | 22% | 0.222 | S | C | * | . | P | Polyproline II helix | trans | -69.4 | 134.3 | 175.4 | -69.8 | -175 | -71.4 | 167.9 | -0.3 | 109.4 | G55 | G55-R57 PolarHBondContact O-N 3.22Š|
| 58 | P | 96.7 | Very high | 95.2 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 148.3 | 173.3 | -18.2 | 30.4 | 0 | 0 | 0 | 111.6 | S60 R63 | P58-S60 PolarHBondContact O-N 3.01Å; P58-R63 HydrophobicContact CB-CG 4.06Å; P58-R63 VanDerWaalsContact CB-NE 3.25Å |
| 59 | I | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 122.8 | 173.1 | -57.2 | -59.4 | 0 | 0 | 0 | 109.2 | F61 I62 R63 Y295 F354 E357 | I59-F61 VanDerWaalsContact C-N 3.35Å; I59-F61 PolarHBondContact O-N 2.95Å; I59-I62 HydrophobicContact CB-CD1 3.98Å; I59-I62 HydrophobicContact CB-CG1 4.16Å; I59-I62 HydrophobicContact CG1-CD1 4.39Å; I59-I62 HydrophobicContact CG2-CD1 4.37Å; I59-I62 HydrophobicContact CG2-CG1 4.19Å; I59-I62 PolarHBondContact O-N 3.41Å; I59-R63 PolarHBondContact O-N 3.44Å; I59-Y295 HydrophobicContact CD1-CD2 3.96Å; I59-Y295 HydrophobicContact CG1-CD2 3.92Å; I59-Y295 HydrophobicContact CG1-CE2 4.42Å; I59-Y295 WeakPolarHBondContact CG1-O 3.41Å; I59-F354 HydrophobicContact CG2-CD2 3.6Å; I59-F354 HydrophobicContact CG2-CE2 3.79Å; I59-E357 WeakPolarHBondContact CA-OE2 3.44Å; I59-E357 HydrophobicContact CD1-CB 3.82Å |
| 60 | S | 97.9 | Very high | 96 | Very high | 52 Ų | 52 | 40.3 Ų | 40.3 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -44.9 | -171.1 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | P58 I62 R63 E64 E357 | P58-S60 PolarHBondContact O-N 3.01Å; S60-I62 VanDerWaalsContact C-N 3.31Å; S60-I62 PolarHBondContact O-N 3.43Å; S60-R63 CarbonylContact O-C 3.59Å; S60-R63 WeakPolarHBondContact O-CA 3.14Å; S60-R63 WeakPolarHBondContact O-CB 3.41Å; S60-R63 PolarHBondContact O-N 3.24Å; S60-E64 WeakPolarHBondContact O-CG 3.44Å; S60-E64 PolarHBondContact O-N 3.32Å; S60-E357 VanDerWaalsContact CB-OE1 3.23Å; S60-E357 WeakPolarHBondContact CB-OE1 3.3Å; S60-E357 PolarHBondContact N-OE2 3.04Å; S60-E357 PolarHBondContact OG-OE1 3.18Å |
| 61 | F | 98.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -39.4 | -178.2 | -171.3 | -108.7 | 0 | 0 | 0 | 113.2 | I59 R63 E64 V65 D83 A84 R87 V339 P344 S350 F354 | I59-F61 VanDerWaalsContact C-N 3.35Å; I59-F61 PolarHBondContact O-N 2.95Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 2.94Å; F61-E64 PolarHBondContact O-N 3.39Å; F61-V65 HydrophobicContact CD1-CG2 4.29Å; F61-V65 HydrophobicContact CE1-CG2 3.93Å; F61-V65 HydrophobicContact CE2-CG2 4.31Å; F61-V65 HydrophobicContact CZ-CG2 3.95Å; F61-V65 WeakPolarHBondContact O-CG2 3.44Å; F61-V65 PolarHBondContact O-N 2.98Å; F61-D83 HydrophobicContact CE2-CB 4.28Å; F61-A84 HydrophobicContact CD2-CB 4.12Å; F61-A84 HydrophobicContact CE2-CB 3.73Å; F61-A84 HydrophobicContact CZ-CB 4.46Å; F61-R87 HydrophobicContact CE1-CG 4.38Å; F61-R87 HydrophobicContact CZ-CG 4.03Å; F61-V339 HydrophobicContact CD1-CG1 3.56Å; F61-V339 HydrophobicContact CE1-CG1 3.8Å; F61-P344 HydrophobicContact CB-CG 4.43Å; F61-P344 HydrophobicContact CD1-CG 3.51Å; F61-P344 HydrophobicContact CD2-CG 3.88Å; F61-P344 HydrophobicContact CE1-CG 3.57Å; F61-P344 HydrophobicContact CE2-CG 3.9Å; F61-P344 HydrophobicContact CG-CG 3.66Å; F61-P344 HydrophobicContact CZ-CG 3.76Å; F61-S350 VanDerWaalsContact CD2-CB 3.41Å; F61-F354 HydrophobicContact CB-CD2 4.15Å |
| 62 | I | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.4 | -62.7 | 177.8 | 0 | 0 | 0 | 109.6 | I59 S60 L66 M296 E298 T336 V339 V340 | I59-I62 HydrophobicContact CB-CD1 3.98Å; I59-I62 HydrophobicContact CB-CG1 4.16Å; I59-I62 HydrophobicContact CG1-CD1 4.39Å; I59-I62 HydrophobicContact CG2-CD1 4.37Å; I59-I62 HydrophobicContact CG2-CG1 4.19Å; I59-I62 PolarHBondContact O-N 3.41Å; S60-I62 VanDerWaalsContact C-N 3.31Å; S60-I62 PolarHBondContact O-N 3.43Å; I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.5Å; I62-L66 WeakPolarHBondContact O-CB 3.37Å; I62-L66 WeakPolarHBondContact O-CD1 3.33Å; I62-L66 WeakPolarHBondContact O-CG 3.47Å; I62-L66 PolarHBondContact O-N 2.95Å; I62-L66 VanDerWaalsContact O-N 3.11Å; I62-M296 HydrophobicContact CD1-CB 3.76Å; I62-E298 HydrophobicContact CD1-CG 4.38Å; I62-E298 HydrophobicContact CG2-CG 4.29Å; I62-T336 HydrophobicContact CG2-CG2 4.16Å; I62-V339 HydrophobicContact CG1-CG1 3.77Å; I62-V340 HydrophobicContact CD1-CG2 4.31Å |
| 63 | R | 97.7 | Very high | 96.3 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 32% | 0.321 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 178.8 | -58.7 | -58.5 | -178.1 | -169.2 | -8.1 | 112.2 | H52 P58 I59 S60 F61 L66 C67 E298 | H52-R63 PolarHBondContact CE1-NH2 2.72Å; H52-R63 PolarHBondContact ND1-NH2 3.44Å; P58-R63 HydrophobicContact CB-CG 4.06Å; P58-R63 VanDerWaalsContact CB-NE 3.25Å; I59-R63 PolarHBondContact O-N 3.44Å; S60-R63 CarbonylContact O-C 3.59Å; S60-R63 WeakPolarHBondContact O-CA 3.14Å; S60-R63 WeakPolarHBondContact O-CB 3.41Å; S60-R63 PolarHBondContact O-N 3.24Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 2.94Å; R63-L66 PolarHBondContact O-N 3.4Å; R63-C67 WeakPolarHBondContact O-CB 3.27Å; R63-C67 PolarHBondContact O-N 3.35Å; R63-E298 IonicContact CZ-OE1 3.76Å; R63-E298 IonicContact CZ-OE2 3.18Å; R63-E298 VanDerWaalsContact CZ-OE2 3.27Å; R63-E298 IonicContact NE-OE1 2.7Å; R63-E298 IonicContact NH1-OE1 3.04Å; R63-E298 IonicContact NH1-OE2 3.65Å; R63-E298 PolarHBondContact NH1-OE2 3.22Å; R63-E298 IonicContact NH2-OE1 2.67Å; R63-E298 PolarHBondContact NH2-OE1 2.73Å; R63-E298 IonicContact NH2-OE2 2.99Å; R63-E298 PolarHBondContact NH2-OE2 2.98Å |
| 64 | E | 97.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 47 Ų | 47 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 178.4 | -69.7 | 178.7 | 143.3 | 0 | 0 | 111.6 | S60 F61 C67 A68 V80 A84 | S60-E64 WeakPolarHBondContact O-CG 3.44Å; S60-E64 PolarHBondContact O-N 3.32Å; F61-E64 PolarHBondContact O-N 3.39Å; E64-C67 PolarHBondContact O-N 3.17Å; E64-A68 WeakPolarHBondContact O-CB 3.38Å; E64-A68 PolarHBondContact O-N 3.38Å; E64-V80 HydrophobicContact CB-CB 4.26Å; E64-V80 HydrophobicContact CB-CG1 4.01Å; E64-V80 HydrophobicContact CG-CG1 4.19Å; E64-A84 HydrophobicContact CB-CB 3.74Å |
| 65 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 177.6 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | F61 C67 A68 A69 A84 R87 A88 L335 V339 | F61-V65 HydrophobicContact CD1-CG2 4.29Å; F61-V65 HydrophobicContact CE1-CG2 3.93Å; F61-V65 HydrophobicContact CE2-CG2 4.31Å; F61-V65 HydrophobicContact CZ-CG2 3.95Å; F61-V65 WeakPolarHBondContact O-CG2 3.44Å; F61-V65 PolarHBondContact O-N 2.98Å; V65-C67 VanDerWaalsContact C-N 3.32Å; V65-C67 PolarHBondContact O-N 2.88Å; V65-A68 PolarHBondContact O-N 3.05Å; V65-A69 WeakPolarHBondContact O-CB 3.49Å; V65-A69 PolarHBondContact O-N 3.33Å; V65-A84 HydrophobicContact CG2-CB 3.86Å; V65-R87 HydrophobicContact CG1-CB 4.05Å; V65-R87 HydrophobicContact CG2-CB 3.95Å; V65-A88 HydrophobicContact CG1-CB 4.36Å; V65-L335 HydrophobicContact CG1-CD1 3.71Å; V65-L335 HydrophobicContact CG1-CD2 4.2Å; V65-L335 HydrophobicContact CG1-CG 4.09Å; V65-V339 HydrophobicContact CB-CG2 3.84Å; V65-V339 HydrophobicContact CG1-CG2 3.59Å; V65-V339 HydrophobicContact CG2-CG2 3.92Å |
| 66 | L | 98.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 178.1 | -67.7 | 170.1 | 0 | 0 | 0 | 111.9 | I62 R63 A69 T70 L301 L332 L335 | I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.5Å; I62-L66 WeakPolarHBondContact O-CB 3.37Å; I62-L66 WeakPolarHBondContact O-CD1 3.33Å; I62-L66 WeakPolarHBondContact O-CG 3.47Å; I62-L66 PolarHBondContact O-N 2.95Å; I62-L66 VanDerWaalsContact O-N 3.11Å; R63-L66 PolarHBondContact O-N 3.4Å; L66-A69 PolarHBondContact O-N 3.23Å; L66-T70 WeakPolarHBondContact O-CB 3.46Å; L66-T70 VanDerWaalsContact O-CG2 3.3Å; L66-T70 WeakPolarHBondContact O-CG2 3.28Å; L66-T70 PolarHBondContact O-N 2.95Å; L66-T70 PolarHBondContact O-OG1 3.4Å; L66-L301 HydrophobicContact CD1-CD1 3.46Å; L66-L301 VanDerWaalsContact CD1-CD1 3.46Å; L66-L332 HydrophobicContact CD2-CD2 4.24Å; L66-L335 HydrophobicContact CD2-CB 4.35Å; L66-L335 HydrophobicContact CD2-CD2 3.96Å; L66-L335 HydrophobicContact CD2-CG 4.04Å |
| 67 | C | 97.5 | Very high | 97.1 | Very high | 50 Ų | 50 | 52.2 Ų | 52.2 | 34% | 0.338 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 177.5 | -165 | 0 | 0 | 0 | 0 | 111 | R63 E64 V65 A69 T70 K71 I74 | R63-C67 WeakPolarHBondContact O-CB 3.27Å; R63-C67 PolarHBondContact O-N 3.35Å; E64-C67 PolarHBondContact O-N 3.17Å; V65-C67 VanDerWaalsContact C-N 3.32Å; V65-C67 PolarHBondContact O-N 2.88Å; C67-A69 VanDerWaalsContact C-N 3.3Å; C67-A69 PolarHBondContact O-N 3.39Å; C67-T70 PolarHBondContact O-N 3.12Å; C67-T70 PolarHBondContact O-OG1 3.26Å; C67-K71 PolarHBondContact O-N 2.91Å; C67-I74 WeakPolarHBondContact SG-CD1 3.49Å |
| 68 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | E64 V65 T72 M75 V80 A88 | E64-A68 WeakPolarHBondContact O-CB 3.38Å; E64-A68 PolarHBondContact O-N 3.38Å; V65-A68 PolarHBondContact O-N 3.05Å; A68-T72 WeakPolarHBondContact O-CA 3.36Å; A68-M75 HydrophobicContact CB-CG 3.87Å; A68-V80 HydrophobicContact CB-CG2 4.43Å; A68-A88 HydrophobicContact CB-CB 3.59Å |
| 69 | A | 97.8 | Very high | 97 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -77.2 | -31.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V65 L66 C67 A88 V99 L335 | V65-A69 WeakPolarHBondContact O-CB 3.49Å; V65-A69 PolarHBondContact O-N 3.33Å; L66-A69 PolarHBondContact O-N 3.23Å; C67-A69 VanDerWaalsContact C-N 3.3Å; C67-A69 PolarHBondContact O-N 3.39Å; A69-A88 HydrophobicContact CB-CB 4.08Å; A69-V99 HydrophobicContact CB-CG1 3.96Å; A69-L335 HydrophobicContact CB-CD2 3.32Å |
| 70 | T | 97.6 | Very high | 96.9 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -87.2 | -28.1 | -178.9 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | L66 C67 V99 L332 | L66-T70 WeakPolarHBondContact O-CB 3.46Å; L66-T70 VanDerWaalsContact O-CG2 3.3Å; L66-T70 WeakPolarHBondContact O-CG2 3.28Å; L66-T70 PolarHBondContact O-N 2.95Å; L66-T70 PolarHBondContact O-OG1 3.4Å; C67-T70 PolarHBondContact O-N 3.12Å; C67-T70 PolarHBondContact O-OG1 3.26Å; T70-V99 HydrophobicContact CG2-CG2 4.13Å; T70-L332 HydrophobicContact CG2-CD2 3.59Å |
| 71 | K | 96.8 | Very high | 96.8 | Very high | 122 Ų | 122 | 56.9 Ų | 56.9 | 53% | 0.53 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -133.7 | 83.4 | 175.9 | -172 | 175.1 | 178.6 | -178.3 | 0 | 109.9 | C67 Q73 I74 | C67-K71 PolarHBondContact O-N 2.91Å; K71-Q73 PolarHBondContact O-N 3.04Å; K71-Q73 VanDerWaalsContact O-N 3.07Å; K71-I74 HydrophobicContact CB-CD1 4.07Å; K71-I74 HydrophobicContact CB-CG1 4.38Å; K71-I74 HydrophobicContact CD-CD1 3.98Å; K71-I74 HydrophobicContact CD-CG1 4.2Å; K71-I74 HydrophobicContact CG-CD1 4.23Å; K71-I74 HydrophobicContact CG-CG1 4.2Å; K71-I74 VanDerWaalsContact O-CB 3.31Å; K71-I74 WeakPolarHBondContact O-CB 3.46Å; K71-I74 PolarHBondContact O-N 3.33Å |
| 72 | T | 96.1 | Very high | 96.7 | Very high | 58 Ų | 58 | 61.8 Ų | 61.8 | 36% | 0.356 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -58.8 | -26.9 | -168.9 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | A68 I74 M75 L92 | A68-T72 WeakPolarHBondContact O-CA 3.36Å; T72-I74 PolarHBondContact O-N 3.04Å; T72-I74 VanDerWaalsContact O-N 3.12Å; T72-M75 HydrophobicContact CG2-CE 3.77Å; T72-M75 WeakPolarHBondContact O-CB 3.39Å; T72-M75 PolarHBondContact O-N 3.19Å; T72-L92 HydrophobicContact CG2-CD1 3.72Å |
| 73 | Q | 96.6 | Very high | 96.7 | Very high | 118 Ų | 118 | 62 Ų | 62 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -61.7 | -20.1 | 175.7 | -55.7 | 86.2 | -0.7 | 0 | 0 | 113 | K71 M75 D76 | K71-Q73 PolarHBondContact O-N 3.04Å; K71-Q73 VanDerWaalsContact O-N 3.07Å; Q73-M75 PolarHBondContact O-N 2.98Å; Q73-D76 PolarHBondContact O-N 3.44Å |
| 74 | I | 95.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -65 | -26.4 | 174.9 | -72.2 | 179.9 | 0 | 0 | 0 | 111.4 | C67 K71 T72 D76 T77 L79 V80 | C67-I74 WeakPolarHBondContact SG-CD1 3.49Å; K71-I74 HydrophobicContact CB-CD1 4.07Å; K71-I74 HydrophobicContact CB-CG1 4.38Å; K71-I74 HydrophobicContact CD-CD1 3.98Å; K71-I74 HydrophobicContact CD-CG1 4.2Å; K71-I74 HydrophobicContact CG-CD1 4.23Å; K71-I74 HydrophobicContact CG-CG1 4.2Å; K71-I74 VanDerWaalsContact O-CB 3.31Å; K71-I74 WeakPolarHBondContact O-CB 3.46Å; K71-I74 PolarHBondContact O-N 3.33Å; T72-I74 PolarHBondContact O-N 3.04Å; T72-I74 VanDerWaalsContact O-N 3.12Å; I74-D76 PolarHBondContact O-N 2.92Å; I74-T77 PolarHBondContact O-N 3.45Å; I74-T77 PolarHBondContact O-OG1 3.31Å; I74-L79 HydrophobicContact CG2-CB 4.33Å; I74-V80 HydrophobicContact CG2-CB 4.39Å; I74-V80 HydrophobicContact CG2-CG1 3.71Å; I74-V80 HydrophobicContact CG2-CG2 3.76Å |
| 75 | M | 96.2 | Very high | 96.7 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -65.1 | -21.2 | 177.3 | -66.1 | -172.3 | -85.9 | 0 | 0 | 113.3 | A68 T72 Q73 T77 K85 A88 R89 L92 | A68-M75 HydrophobicContact CB-CG 3.87Å; T72-M75 HydrophobicContact CG2-CE 3.77Å; T72-M75 WeakPolarHBondContact O-CB 3.39Å; T72-M75 PolarHBondContact O-N 3.19Å; Q73-M75 PolarHBondContact O-N 2.98Å; M75-T77 PolarHBondContact O-N 3.21Å; M75-K85 HydrophobicContact CB-CD 4.42Å; M75-K85 HydrophobicContact CB-CG 4.21Å; M75-K85 HydrophobicContact CG-CB 4.2Å; M75-K85 HydrophobicContact CG-CG 4.1Å; M75-K85 WeakPolarHBondContact O-CD 3.39Å; M75-K85 WeakPolarHBondContact O-CE 3.46Å; M75-K85 HydrophobicContact SD-CB 4.48Å; M75-A88 HydrophobicContact SD-CB 4.39Å; M75-R89 HydrophobicContact SD-CB 4.29Å; M75-L92 HydrophobicContact CE-CD1 4.16Å |
| 76 | D | 96.5 | Very high | 96.7 | Very high | 138 Ų | 138 | 61.3 Ų | 61.3 | 74% | 0.738 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -85.1 | 4.1 | 176.6 | -55.4 | -41.2 | 0 | 0 | 0 | 112.6 | Q73 I74 | Q73-D76 PolarHBondContact O-N 3.44Å; I74-D76 PolarHBondContact O-N 2.92Å |
| 77 | T | 95.6 | Very high | 96.7 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 30% | 0.301 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -117.4 | 172.6 | -177.9 | 77 | 0 | 0 | 0 | 0 | 111.7 | I74 M75 L79 K85 | I74-T77 PolarHBondContact O-N 3.45Å; I74-T77 PolarHBondContact O-OG1 3.31Å; M75-T77 PolarHBondContact O-N 3.21Å; T77-L79 VanDerWaalsContact C-N 3.32Å; T77-L79 WeakPolarHBondContact OG1-CB 3.49Å; T77-L79 WeakPolarHBondContact OG1-CG 3.49Å; T77-L79 PolarHBondContact OG1-N 3.07Å; T77-K85 WeakPolarHBondContact O-CE 3.45Å; T77-K85 PolarHBondContact O-NZ 3.44Å |
| 78 | N | 93.7 | Very high | 96.7 | Very high | 159 Ų | 159 | 59 Ų | 59 | 85% | 0.85 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -93.4 | 15.8 | 172.4 | -63 | -13.3 | 0 | 0 | 0 | 112.7 | V80 | N78-V80 VanDerWaalsContact C-N 3.28Å; N78-V80 PolarHBondContact O-N 3.49Å |
| 79 | L | 94 | Very high | 96.7 | Very high | 132 Ų | 132 | 64 Ų | 64 | 69% | 0.691 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -75.1 | -17 | -179.3 | -68 | 175.2 | 0 | 0 | 0 | 113.6 | I74 T77 | I74-L79 HydrophobicContact CG2-CB 4.33Å; T77-L79 VanDerWaalsContact C-N 3.32Å; T77-L79 WeakPolarHBondContact OG1-CB 3.49Å; T77-L79 WeakPolarHBondContact OG1-CG 3.49Å; T77-L79 PolarHBondContact OG1-N 3.07Å |
| 80 | V | 95.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -134.4 | 149.3 | 177.9 | -65.1 | 0 | 0 | 0 | 0 | 109 | E64 A68 I74 N78 K85 | E64-V80 HydrophobicContact CB-CB 4.26Å; E64-V80 HydrophobicContact CB-CG1 4.01Å; E64-V80 HydrophobicContact CG-CG1 4.19Å; A68-V80 HydrophobicContact CB-CG2 4.43Å; I74-V80 HydrophobicContact CG2-CB 4.39Å; I74-V80 HydrophobicContact CG2-CG1 3.71Å; I74-V80 HydrophobicContact CG2-CG2 3.76Å; N78-V80 VanDerWaalsContact C-N 3.28Å; N78-V80 PolarHBondContact O-N 3.49Å; V80-K85 HydrophobicContact CG2-CD 4.33Å; V80-K85 HydrophobicContact CG2-CG 3.65Å; V80-K85 WeakPolarHBondContact O-CE 3.25Å |
| 81 | Q | 96.3 | Very high | 96.7 | Very high | 89 Ų | 89 | 63.8 Ų | 63.8 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | trans | -68.4 | 154.6 | 179.8 | -60.3 | -63.2 | -31.8 | 0 | 0 | 112.2 | D83 A84 K85 S350 | Q81-D83 VanDerWaalsContact C-N 3.35Å; Q81-D83 WeakPolarHBondContact CB-OD1 3.49Å; Q81-D83 PolarHBondContact O-N 3.03Å; Q81-A84 WeakPolarHBondContact O-CB 3.42Å; Q81-A84 PolarHBondContact O-N 2.79Å; Q81-A84 VanDerWaalsContact O-N 3.13Å; Q81-K85 WeakPolarHBondContact O-CG 3.49Å; Q81-K85 PolarHBondContact O-N 3.03Å; Q81-S350 WeakPolarHBondContact CB-OG 3.47Å; Q81-S350 VanDerWaalsContact CG-OG 3.26Å; Q81-S350 WeakPolarHBondContact CG-OG 3.22Å | ||
| 82 | D | 97.2 | Very high | 96.8 | Very high | 106 Ų | 106 | 58.3 Ų | 58.3 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.8 | -33.8 | -173 | -73.9 | -20.9 | 0 | 0 | 0 | 113.4 | A84 K85 L86 | D82-A84 VanDerWaalsContact C-N 3.34Å; D82-K85 PolarHBondContact O-N 3.47Å; D82-K85 IonicContact OD1-NZ 2.84Å; D82-K85 PolarHBondContact OD1-NZ 2.69Å; D82-L86 WeakPolarHBondContact O-CB 3.11Å; D82-L86 PolarHBondContact O-N 2.92Å |
| 83 | D | 98.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.032 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 171.2 | 52.6 | -3.3 | 0 | 0 | 0 | 111.8 | F61 Q81 L86 R87 E348 S350 | F61-D83 HydrophobicContact CE2-CB 4.28Å; Q81-D83 VanDerWaalsContact C-N 3.35Å; Q81-D83 WeakPolarHBondContact CB-OD1 3.49Å; Q81-D83 PolarHBondContact O-N 3.03Å; D83-L86 WeakPolarHBondContact O-CB 3.46Å; D83-L86 PolarHBondContact O-N 3.31Å; D83-R87 WeakPolarHBondContact O-CG 3.37Å; D83-R87 PolarHBondContact O-N 2.83Å; D83-E348 HydrophobicContact CB-CB 4.12Å; D83-E348 HydrophobicContact CB-CG 4.41Å; D83-E348 WeakPolarHBondContact OD2-CB 3.35Å; D83-S350 PolarHBondContact OD1-OG 2.88Å; D83-S350 WeakPolarHBondContact OD2-CB 3.22Å; D83-S350 PolarHBondContact OD2-N 2.93Å; D83-S350 PolarHBondContact OD2-OG 3.3Å |
| 84 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F61 E64 V65 Q81 D82 L86 R87 A88 | F61-A84 HydrophobicContact CD2-CB 4.12Å; F61-A84 HydrophobicContact CE2-CB 3.73Å; F61-A84 HydrophobicContact CZ-CB 4.46Å; E64-A84 HydrophobicContact CB-CB 3.74Å; V65-A84 HydrophobicContact CG2-CB 3.86Å; Q81-A84 WeakPolarHBondContact O-CB 3.42Å; Q81-A84 PolarHBondContact O-N 2.79Å; Q81-A84 VanDerWaalsContact O-N 3.13Å; D82-A84 VanDerWaalsContact C-N 3.34Å; A84-L86 VanDerWaalsContact C-N 3.32Å; A84-L86 PolarHBondContact O-N 2.94Å; A84-R87 PolarHBondContact O-N 3.16Å; A84-A88 PolarHBondContact O-N 3.28Å |
| 85 | K | 98 | Very high | 96.6 | Very high | 17 Ų | 17 | 58 Ų | 58 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 173.4 | -60.3 | 171.3 | -170.7 | 163.3 | 0 | 111.2 | M75 T77 V80 Q81 D82 A88 R89 | M75-K85 HydrophobicContact CB-CD 4.42Å; M75-K85 HydrophobicContact CB-CG 4.21Å; M75-K85 HydrophobicContact CG-CB 4.2Å; M75-K85 HydrophobicContact CG-CG 4.1Å; M75-K85 WeakPolarHBondContact O-CD 3.39Å; M75-K85 WeakPolarHBondContact O-CE 3.46Å; M75-K85 HydrophobicContact SD-CB 4.48Å; T77-K85 WeakPolarHBondContact O-CE 3.45Å; T77-K85 PolarHBondContact O-NZ 3.44Å; V80-K85 HydrophobicContact CG2-CD 4.33Å; V80-K85 HydrophobicContact CG2-CG 3.65Å; V80-K85 WeakPolarHBondContact O-CE 3.25Å; Q81-K85 WeakPolarHBondContact O-CG 3.49Å; Q81-K85 PolarHBondContact O-N 3.03Å; D82-K85 PolarHBondContact O-N 3.47Å; D82-K85 IonicContact OD1-NZ 2.84Å; D82-K85 PolarHBondContact OD1-NZ 2.69Å; K85-A88 PolarHBondContact O-N 3.4Å; K85-R89 VanDerWaalsContact O-CB 3.32Å; K85-R89 WeakPolarHBondContact O-CB 3.49Å; K85-R89 PolarHBondContact O-N 3.25Å |
| 86 | L | 97.5 | Very high | 96.2 | Very high | 95 Ų | 95 | 60.1 Ų | 60.1 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 179.4 | -179.4 | 64.1 | 0 | 0 | 0 | 111.2 | D82 D83 A84 R89 R90 | D82-L86 WeakPolarHBondContact O-CB 3.11Å; D82-L86 PolarHBondContact O-N 2.92Å; D83-L86 WeakPolarHBondContact O-CB 3.46Å; D83-L86 PolarHBondContact O-N 3.31Å; A84-L86 VanDerWaalsContact C-N 3.32Å; A84-L86 PolarHBondContact O-N 2.94Å; L86-R89 PolarHBondContact O-N 3.49Å; L86-R90 VanDerWaalsContact O-CB 3.31Å; L86-R90 WeakPolarHBondContact O-CB 3.4Å; L86-R90 PolarHBondContact O-N 2.77Å |
| 87 | R | 97.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 6% | 0.06 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 175.8 | -64.9 | -47.1 | -175.2 | -83.5 | -1.1 | 111.8 | F61 V65 D83 A84 R89 R90 F91 E348 | F61-R87 HydrophobicContact CE1-CG 4.38Å; F61-R87 HydrophobicContact CZ-CG 4.03Å; V65-R87 HydrophobicContact CG1-CB 4.05Å; V65-R87 HydrophobicContact CG2-CB 3.95Å; D83-R87 WeakPolarHBondContact O-CG 3.37Å; D83-R87 PolarHBondContact O-N 2.83Å; A84-R87 PolarHBondContact O-N 3.16Å; R87-R89 PolarHBondContact O-N 3.26Å; R87-R90 PolarHBondContact O-N 3.46Å; R87-F91 PolarHBondContact O-N 3.03Å; R87-E348 IonicContact CZ-OE1 3.32Å; R87-E348 VanDerWaalsContact CZ-OE1 3.23Å; R87-E348 IonicContact CZ-OE2 3.78Å; R87-E348 IonicContact NH1-OE1 2.75Å; R87-E348 PolarHBondContact NH1-OE1 3.37Å; R87-E348 VanDerWaalsContact NH2-CD 3.25Å; R87-E348 IonicContact NH2-OE1 3.37Å; R87-E348 PolarHBondContact NH2-OE1 2.92Å; R87-E348 IonicContact NH2-OE2 2.71Å; R87-E348 PolarHBondContact NH2-OE2 2.93Å |
| 88 | A | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V65 A68 A69 M75 A84 K85 F91 L92 | V65-A88 HydrophobicContact CG1-CB 4.36Å; A68-A88 HydrophobicContact CB-CB 3.59Å; A69-A88 HydrophobicContact CB-CB 4.08Å; M75-A88 HydrophobicContact SD-CB 4.39Å; A84-A88 PolarHBondContact O-N 3.28Å; K85-A88 PolarHBondContact O-N 3.4Å; A88-F91 PolarHBondContact O-N 2.89Å; A88-L92 WeakPolarHBondContact O-CB 3.38Å; A88-L92 VanDerWaalsContact O-CG 3.26Å; A88-L92 WeakPolarHBondContact O-CG 3.4Å; A88-L92 PolarHBondContact O-N 2.69Å |
| 89 | R | 97.6 | Very high | 96.3 | Very high | 106 Ų | 106 | 49.7 Ų | 49.7 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -47.6 | -179.7 | -169.7 | 172.2 | -65.5 | 119.9 | -2.1 | 111.9 | M75 K85 L86 R87 F91 L92 D93 | M75-R89 HydrophobicContact SD-CB 4.29Å; K85-R89 VanDerWaalsContact O-CB 3.32Å; K85-R89 WeakPolarHBondContact O-CB 3.49Å; K85-R89 PolarHBondContact O-N 3.25Å; L86-R89 PolarHBondContact O-N 3.49Å; R87-R89 PolarHBondContact O-N 3.26Å; R89-F91 VanDerWaalsContact C-N 3.29Å; R89-F91 PolarHBondContact O-N 3.35Å; R89-L92 PolarHBondContact O-N 3.05Å; R89-D93 WeakPolarHBondContact O-CB 3.38Å; R89-D93 PolarHBondContact O-N 3.23Å |
| 90 | R | 97.9 | Very high | 96.4 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.8 | -45.4 | 176.1 | 177.4 | 179.6 | 172.5 | -106.7 | 17.2 | 111.9 | L86 R87 S94 D114 D338 | L86-R90 VanDerWaalsContact O-CB 3.31Å; L86-R90 WeakPolarHBondContact O-CB 3.4Å; L86-R90 PolarHBondContact O-N 2.77Å; R87-R90 PolarHBondContact O-N 3.46Å; R90-S94 PolarHBondContact O-N 3.42Å; R90-D114 IonicContact CZ-OD1 3.37Å; R90-D114 IonicContact CZ-OD2 3.92Å; R90-D114 IonicContact NH1-OD1 2.6Å; R90-D114 IonicContact NH1-OD2 3.13Å; R90-D114 PolarHBondContact NH1-OD2 2.98Å; R90-D114 VanDerWaalsContact NH2-CG 3.32Å; R90-D114 IonicContact NH2-OD1 3.89Å; R90-D114 PolarHBondContact NH2-OD1 3.29Å; R90-D114 IonicContact NH2-OD2 3.73Å; R90-D114 PolarHBondContact NH2-OD2 3.32Å; R90-D338 IonicContact NH1-OD1 3.52Å; R90-D338 IonicContact NH1-OD2 3.77Å |
| 91 | F | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -47.9 | 177.6 | -179.4 | -87.1 | 0 | 0 | 0 | 111.8 | R87 A88 R89 D93 S94 C95 V99 V108 V111 L331 Q334 L335 | R87-F91 PolarHBondContact O-N 3.03Å; A88-F91 PolarHBondContact O-N 2.89Å; R89-F91 VanDerWaalsContact C-N 3.29Å; R89-F91 PolarHBondContact O-N 3.35Å; F91-D93 PolarHBondContact O-N 3.42Å; F91-S94 PolarHBondContact O-N 2.98Å; F91-S94 VanDerWaalsContact O-N 3.13Å; F91-S94 PolarHBondContact O-OG 2.91Å; F91-C95 PolarHBondContact O-N 3.29Å; F91-C95 PolarHBondContact O-SG 3.38Å; F91-V99 HydrophobicContact CD1-CG1 4.48Å; F91-V99 HydrophobicContact CE1-CG1 4.12Å; F91-V108 HydrophobicContact CE2-CB 4.33Å; F91-V108 HydrophobicContact CE2-CG1 4.45Å; F91-V108 HydrophobicContact CE2-CG2 4.09Å; F91-V108 HydrophobicContact CZ-CG2 4.03Å; F91-V111 HydrophobicContact CD2-CG2 3.68Å; F91-V111 HydrophobicContact CE2-CG2 3.56Å; F91-L331 HydrophobicContact CE1-CB 4.32Å; F91-L331 HydrophobicContact CE1-CD2 4.41Å; F91-L331 HydrophobicContact CE1-CG 4.43Å; F91-L331 HydrophobicContact CZ-CB 4.13Å; F91-L331 HydrophobicContact CZ-CG 4.15Å; F91-L331 WeakPolarHBondContact CZ-O 3.27Å; F91-Q334 HydrophobicContact CE2-CB 4.27Å; F91-Q334 HydrophobicContact CZ-CB 4.37Å; F91-L335 HydrophobicContact CB-CD1 3.75Å; F91-L335 HydrophobicContact CD1-CB 4.31Å; F91-L335 HydrophobicContact CD1-CD1 4.2Å; F91-L335 HydrophobicContact CD1-CD2 4.27Å; F91-L335 HydrophobicContact CD2-CB 4.1Å; F91-L335 HydrophobicContact CD2-CD1 3.81Å; F91-L335 HydrophobicContact CE1-CB 4.14Å; F91-L335 HydrophobicContact CE2-CB 3.89Å; F91-L335 HydrophobicContact CE2-CD1 4.47Å; F91-L335 HydrophobicContact CG-CB 4.31Å; F91-L335 HydrophobicContact CG-CD1 3.65Å; F91-L335 HydrophobicContact CG-CG 4.38Å; F91-L335 HydrophobicContact CZ-CB 3.92Å |
| 92 | L | 97.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -45 | -180 | -71 | 172.6 | 0 | 0 | 0 | 111.8 | T72 M75 A88 R89 S94 C95 G96 G97 V99 | T72-L92 HydrophobicContact CG2-CD1 3.72Å; M75-L92 HydrophobicContact CE-CD1 4.16Å; A88-L92 WeakPolarHBondContact O-CB 3.38Å; A88-L92 VanDerWaalsContact O-CG 3.26Å; A88-L92 WeakPolarHBondContact O-CG 3.4Å; A88-L92 PolarHBondContact O-N 2.69Å; R89-L92 PolarHBondContact O-N 3.05Å; L92-S94 PolarHBondContact O-N 3.46Å; L92-C95 PolarHBondContact O-N 2.94Å; L92-G96 PolarHBondContact O-N 3.18Å; L92-G97 WeakPolarHBondContact O-CA 3.34Å; L92-G97 PolarHBondContact O-N 3.2Å; L92-V99 HydrophobicContact CD2-CG1 3.96Å |
| 93 | D | 97 | Very high | 96.4 | Very high | 123 Ų | 123 | 48.7 Ų | 48.7 | 66% | 0.658 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.9 | -28.8 | 178.7 | -66.7 | -18.2 | 0 | 0 | 0 | 112 | R89 F91 | R89-D93 WeakPolarHBondContact O-CB 3.38Å; R89-D93 PolarHBondContact O-N 3.23Å; F91-D93 PolarHBondContact O-N 3.42Å |
| 94 | S | 95.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 53 Ų | 53 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -84 | -17.6 | -179.8 | 75.3 | 0 | 0 | 0 | 0 | 115.4 | R90 F91 L92 V108 V110 | R90-S94 PolarHBondContact O-N 3.42Å; F91-S94 PolarHBondContact O-N 2.98Å; F91-S94 VanDerWaalsContact O-N 3.13Å; F91-S94 PolarHBondContact O-OG 2.91Å; L92-S94 PolarHBondContact O-N 3.46Å; S94-V108 WeakPolarHBondContact OG-CG1 3.5Å; S94-V110 VanDerWaalsContact OG-CG1 3.3Å; S94-V110 WeakPolarHBondContact OG-CG1 3.22Å |
| 95 | C | 91.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -117.1 | -1.9 | -174.7 | 64.7 | 0 | 0 | 0 | 0 | 114.6 | F91 L92 V101 V108 L331 | F91-C95 PolarHBondContact O-N 3.29Å; F91-C95 PolarHBondContact O-SG 3.38Å; L92-C95 PolarHBondContact O-N 2.94Å; C95-V101 HydrophobicContact CB-CG2 4.5Å; C95-V101 WeakPolarHBondContact O-CG2 3.42Å; C95-V108 HydrophobicContact CB-CG1 4.42Å; C95-V108 HydrophobicContact CB-CG2 3.75Å; C95-L331 HydrophobicContact CB-CD2 4.07Å |
| 96 | G | 89 | Confident | 96.2 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 65% | 0.649 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111 | 20.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L92 S98 | L92-G96 PolarHBondContact O-N 3.18Å; G96-S98 PolarHBondContact O-N 3.26Å |
| 97 | G | 93.6 | Very high | 96.2 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 84.6 | 0.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L92 | L92-G97 WeakPolarHBondContact O-CA 3.34Å; L92-G97 PolarHBondContact O-N 3.2Å |
| 98 | S | 96.2 | Very high | 96.2 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | trans | -150 | 139.5 | 179.1 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | G96 G100 V101 | G96-S98 PolarHBondContact O-N 3.26Å; S98-G100 PolarHBondContact O-N 2.99Å; S98-G100 VanDerWaalsContact O-N 3.15Å; S98-G100 PolarHBondContact OG-N 3.26Å; S98-G100 VanDerWaalsContact OG-N 3.1Å; S98-V101 WeakPolarHBondContact O-CG2 3.31Å; S98-V101 PolarHBondContact O-N 2.81Å | ||
| 99 | V | 96.7 | Very high | 96.2 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -3.4 | 171 | -63.5 | 0 | 0 | 0 | 0 | 113.7 | A69 T70 F91 L92 L331 L332 L335 | A69-V99 HydrophobicContact CB-CG1 3.96Å; T70-V99 HydrophobicContact CG2-CG2 4.13Å; F91-V99 HydrophobicContact CD1-CG1 4.48Å; F91-V99 HydrophobicContact CE1-CG1 4.12Å; L92-V99 HydrophobicContact CD2-CG1 3.96Å; V99-L331 HydrophobicContact CB-CB 4.4Å; V99-L331 WeakPolarHBondContact O-CB 3.32Å; V99-L332 HydrophobicContact CB-CD2 4.06Å; V99-L332 HydrophobicContact CG1-CD2 4.16Å; V99-L332 HydrophobicContact CG2-CD2 4.05Å; V99-L335 HydrophobicContact CG1-CD2 4.48Å |
| 100 | G | 96.5 | Very high | 96.3 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 74% | 0.742 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -0.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S98 | S98-G100 PolarHBondContact O-N 2.99Å; S98-G100 VanDerWaalsContact O-N 3.15Å; S98-G100 PolarHBondContact OG-N 3.26Å; S98-G100 VanDerWaalsContact OG-N 3.1Å |
| 101 | V | 96.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 32% | 0.315 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -91.2 | 169.2 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | C95 S98 L331 | C95-V101 HydrophobicContact CB-CG2 4.5Å; C95-V101 WeakPolarHBondContact O-CG2 3.42Å; S98-V101 WeakPolarHBondContact O-CG2 3.31Å; S98-V101 PolarHBondContact O-N 2.81Å; V101-L331 HydrophobicContact CG2-CD2 3.78Å; V101-L331 VanDerWaalsContact O-CD1 3.27Å; V101-L331 WeakPolarHBondContact O-CD1 3.49Å; V101-L331 WeakPolarHBondContact O-CD2 3.39Å |
| 102 | Y | 97 | Very high | 96.3 | Very high | 170 Ų | 170 | 45.9 Ų | 45.9 | 67% | 0.667 | 29% | 0.288 | S | S | * | . | trans | -84.1 | 140.6 | 168.1 | -64.4 | -61.1 | 0 | 0 | 0 | 110.9 | L327 | Y102-L327 HydrophobicContact CD1-CB 4.01Å; Y102-L327 HydrophobicContact CD1-CD1 4.21Å; Y102-L327 HydrophobicContact CE1-CB 4.08Å; Y102-L327 HydrophobicContact CE1-CD1 3.57Å; Y102-L327 HydrophobicContact CE1-CG 4.48Å; Y102-L327 HydrophobicContact CE2-CD1 3.93Å; Y102-L327 VanDerWaalsContact CZ-CD1 3.41Å | ||
| 103 | S | 96.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | trans | -92.4 | -177.9 | 167.7 | 69.2 | 0 | 0 | 0 | 0 | 111 | V108 C328 Q334 | S103-V108 VanDerWaalsContact CB-CG2 3.5Å; S103-C328 PolarHBondContact N-SG 3.07Å; S103-C328 VanDerWaalsContact N-SG 3.44Å; S103-C328 WeakPolarHBondContact OG-CB 3.38Å; S103-Q334 PolarHBondContact OG-NE2 2.73Å | ||
| 104 | Q | 95.8 | Very high | 96.4 | Very high | 97 Ų | 97 | 44 Ų | 44 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | trans | -54.2 | 151.4 | 159.9 | -64.8 | 174.8 | -3.6 | 0 | 0 | 110.2 | T106 G107 | Q104-T106 VanDerWaalsContact C-N 3.27Å; Q104-T106 PolarHBondContact O-N 3.31Å; Q104-G107 WeakPolarHBondContact O-CA 3.28Å; Q104-G107 PolarHBondContact O-N 3.2Å | ||
| 105 | S | 96.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.9 | -175.3 | -53.4 | 0 | 0 | 0 | 0 | 114.6 | G107 S324 R326 L327 | S105-G107 VanDerWaalsContact C-N 3.25Å; S105-S324 WeakPolarHBondContact OG-CA 3.48Å; S105-R326 PolarHBondContact O-NH2 2.95Å; S105-L327 WeakPolarHBondContact CA-O 3.31Å; S105-L327 WeakPolarHBondContact CB-O 3.35Å; S105-L327 PolarHBondContact OG-O 3.44Å |
| 106 | T | 97.6 | Very high | 96.9 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -9.3 | 169.3 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | Q104 F133 L134 Y320 | Q104-T106 VanDerWaalsContact C-N 3.27Å; Q104-T106 PolarHBondContact O-N 3.31Å; T106-F133 HydrophobicContact CG2-CB 4.26Å; T106-F133 CarbonylContact O-C 3.59Å; T106-F133 WeakPolarHBondContact O-CA 3.38Å; T106-L134 PolarHBondContact O-N 2.87Å; T106-Y320 HydrophobicContact CG2-CD1 3.71Å; T106-Y320 HydrophobicContact CG2-CD2 4.3Å; T106-Y320 HydrophobicContact CG2-CE1 3.91Å; T106-Y320 HydrophobicContact CG2-CE2 4.47Å; T106-Y320 HydrophobicContact CG2-CG 3.92Å |
| 107 | G | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | 108.3 | 164.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q104 S105 E109 R112 Q334 | Q104-G107 WeakPolarHBondContact O-CA 3.28Å; Q104-G107 PolarHBondContact O-N 3.2Å; S105-G107 VanDerWaalsContact C-N 3.25Å; G107-E109 PolarHBondContact O-N 3.32Å; G107-R112 PolarHBondContact O-NE 2.72Å; G107-Q334 VanDerWaalsContact CA-OE1 3.28Å | ||
| 108 | V | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | trans | -53.2 | 127.8 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | F91 S94 C95 S103 V110 V111 R112 | F91-V108 HydrophobicContact CE2-CB 4.33Å; F91-V108 HydrophobicContact CE2-CG1 4.45Å; F91-V108 HydrophobicContact CE2-CG2 4.09Å; F91-V108 HydrophobicContact CZ-CG2 4.03Å; S94-V108 WeakPolarHBondContact OG-CG1 3.5Å; C95-V108 HydrophobicContact CB-CG1 4.42Å; C95-V108 HydrophobicContact CB-CG2 3.75Å; S103-V108 VanDerWaalsContact CB-CG2 3.5Å; V108-V110 HydrophobicContact CG1-CG1 3.9Å; V108-V110 PolarHBondContact O-N 3.05Å; V108-V111 HydrophobicContact CB-CB 4.47Å; V108-V111 HydrophobicContact CB-CG2 3.99Å; V108-V111 HydrophobicContact CG1-CG2 4.15Å; V108-V111 PolarHBondContact O-N 3.35Å; V108-V111 VanDerWaalsContact O-N 3.12Å; V108-R112 PolarHBondContact O-N 2.98Å; V108-R112 VanDerWaalsContact O-N 3.17Å | ||
| 109 | E | 97.8 | Very high | 97.8 | Very high | 85 Ų | 85 | 38.9 Ų | 38.9 | 40% | 0.397 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58 | -46.6 | -172.9 | 179.8 | 159.5 | -144.2 | 0 | 0 | 112.5 | G107 V111 R112 E113 | G107-E109 PolarHBondContact O-N 3.32Å; E109-V111 PolarHBondContact O-N 3.23Å; E109-V111 VanDerWaalsContact O-N 3.16Å; E109-R112 WeakPolarHBondContact O-CA 3.41Å; E109-R112 WeakPolarHBondContact O-CB 3.44Å; E109-R112 PolarHBondContact O-N 3.02Å; E109-E113 WeakPolarHBondContact O-CG 3.45Å; E109-E113 PolarHBondContact O-N 3.31Å |
| 110 | V | 97.9 | Very high | 97.8 | Very high | 19 Ų | 19 | 42 Ų | 42 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -30.7 | -179.7 | 89.7 | 0 | 0 | 0 | 0 | 113 | S94 V108 D114 | S94-V110 VanDerWaalsContact OG-CG1 3.3Å; S94-V110 WeakPolarHBondContact OG-CG1 3.22Å; V108-V110 HydrophobicContact CG1-CG1 3.9Å; V108-V110 PolarHBondContact O-N 3.05Å; V110-D114 PolarHBondContact O-N 2.59Å |
| 111 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76 | -37.4 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | F91 V108 E109 E113 D114 V115 L134 D338 | F91-V111 HydrophobicContact CD2-CG2 3.68Å; F91-V111 HydrophobicContact CE2-CG2 3.56Å; V108-V111 HydrophobicContact CB-CB 4.47Å; V108-V111 HydrophobicContact CB-CG2 3.99Å; V108-V111 HydrophobicContact CG1-CG2 4.15Å; V108-V111 PolarHBondContact O-N 3.35Å; V108-V111 VanDerWaalsContact O-N 3.12Å; E109-V111 PolarHBondContact O-N 3.23Å; E109-V111 VanDerWaalsContact O-N 3.16Å; V111-E113 VanDerWaalsContact C-N 3.27Å; V111-E113 PolarHBondContact O-N 2.84Å; V111-D114 PolarHBondContact O-N 3.39Å; V111-V115 HydrophobicContact CG1-CG2 4.48Å; V111-V115 VanDerWaalsContact O-CG2 3.24Å; V111-V115 WeakPolarHBondContact O-CG2 3.32Å; V111-V115 PolarHBondContact O-N 3.31Å; V111-L134 HydrophobicContact CB-CD1 3.8Å; V111-L134 HydrophobicContact CG1-CD1 3.54Å; V111-L134 HydrophobicContact CG1-CD2 4.27Å; V111-D338 HydrophobicContact CB-CB 4.44Å; V111-D338 HydrophobicContact CG1-CB 3.97Å; V111-D338 HydrophobicContact CG2-CB 3.85Å |
| 112 | R | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64 | -36.4 | 173.5 | -65.5 | -173.5 | -73.2 | 103.2 | 0.3 | 111.2 | G107 V108 E109 A116 P129 I132 L134 | G107-R112 PolarHBondContact O-NE 2.72Å; V108-R112 PolarHBondContact O-N 2.98Å; V108-R112 VanDerWaalsContact O-N 3.17Å; E109-R112 WeakPolarHBondContact O-CA 3.41Å; E109-R112 WeakPolarHBondContact O-CB 3.44Å; E109-R112 PolarHBondContact O-N 3.02Å; R112-A116 WeakPolarHBondContact O-CB 3.07Å; R112-A116 PolarHBondContact O-N 3.5Å; R112-P129 HydrophobicContact CB-CB 4.11Å; R112-P129 PolarHBondContact NH1-O 2.81Å; R112-I132 HydrophobicContact CB-CG2 4.41Å; R112-I132 WeakPolarHBondContact CD-O 3.48Å; R112-I132 HydrophobicContact CG-CG2 4.22Å; R112-L134 HydrophobicContact CG-CG 4.24Å |
| 113 | E | 98.7 | Very high | 97.9 | Very high | 85 Ų | 85 | 36.5 Ų | 36.5 | 40% | 0.397 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.5 | -47.1 | 172 | -68.1 | 171.5 | 169.5 | 0 | 0 | 112 | E109 V111 V115 A116 Q117 P129 | E109-E113 WeakPolarHBondContact O-CG 3.45Å; E109-E113 PolarHBondContact O-N 3.31Å; V111-E113 VanDerWaalsContact C-N 3.27Å; V111-E113 PolarHBondContact O-N 2.84Å; E113-V115 PolarHBondContact O-N 2.87Å; E113-A116 WeakPolarHBondContact O-CB 3.36Å; E113-A116 PolarHBondContact O-N 2.69Å; E113-Q117 PolarHBondContact O-N 3.3Å; E113-P129 HydrophobicContact CB-CG 4.43Å; E113-P129 HydrophobicContact CG-CB 4.21Å; E113-P129 HydrophobicContact CG-CG 3.93Å |
| 114 | D | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.6 | -36.4 | 178.1 | -79.1 | 11.1 | 0 | 0 | 0 | 112.3 | R90 V110 V111 Q117 Y118 D338 V341 N342 | R90-D114 IonicContact CZ-OD1 3.37Å; R90-D114 IonicContact CZ-OD2 3.92Å; R90-D114 IonicContact NH1-OD1 2.6Å; R90-D114 IonicContact NH1-OD2 3.13Å; R90-D114 PolarHBondContact NH1-OD2 2.98Å; R90-D114 VanDerWaalsContact NH2-CG 3.32Å; R90-D114 IonicContact NH2-OD1 3.89Å; R90-D114 PolarHBondContact NH2-OD1 3.29Å; R90-D114 IonicContact NH2-OD2 3.73Å; R90-D114 PolarHBondContact NH2-OD2 3.32Å; V110-D114 PolarHBondContact O-N 2.59Å; V111-D114 PolarHBondContact O-N 3.39Å; D114-Q117 PolarHBondContact O-N 2.65Å; D114-Y118 VanDerWaalsContact O-CB 3.31Å; D114-Y118 WeakPolarHBondContact O-CB 3.37Å; D114-Y118 PolarHBondContact O-N 2.83Å; D114-D338 VanDerWaalsContact OD2-OD1 3.13Å; D114-V341 HydrophobicContact CB-CG2 3.93Å; D114-N342 HydrophobicContact CB-CB 4.38Å; D114-N342 PolarHBondContact OD2-ND2 3.43Å |
| 115 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 171.2 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | V111 E113 Y118 I119 I132 L134 Y305 M337 V341 | V111-V115 HydrophobicContact CG1-CG2 4.48Å; V111-V115 VanDerWaalsContact O-CG2 3.24Å; V111-V115 WeakPolarHBondContact O-CG2 3.32Å; V111-V115 PolarHBondContact O-N 3.31Å; E113-V115 PolarHBondContact O-N 2.87Å; V115-Y118 PolarHBondContact O-N 3.27Å; V115-I119 HydrophobicContact CG1-CD1 3.8Å; V115-I119 HydrophobicContact CG1-CG1 4.49Å; V115-I119 VanDerWaalsContact O-CG1 3.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.49Å; V115-I119 PolarHBondContact O-N 3.42Å; V115-I132 HydrophobicContact CB-CD1 4.2Å; V115-I132 HydrophobicContact CB-CG2 4.26Å; V115-I132 HydrophobicContact CG1-CD1 3.78Å; V115-I132 HydrophobicContact CG1-CG1 4.29Å; V115-I132 HydrophobicContact CG1-CG2 3.9Å; V115-L134 HydrophobicContact CG2-CD2 4.27Å; V115-Y305 HydrophobicContact CG1-CD1 3.71Å; V115-Y305 HydrophobicContact CG1-CD2 3.79Å; V115-Y305 HydrophobicContact CG1-CE1 3.68Å; V115-Y305 HydrophobicContact CG1-CE2 3.81Å; V115-Y305 HydrophobicContact CG1-CG 3.77Å; V115-Y305 HydrophobicContact CG2-CD1 3.85Å; V115-Y305 HydrophobicContact CG2-CE1 4.22Å; V115-Y305 HydrophobicContact CG2-CG 4.35Å; V115-M337 HydrophobicContact CG2-CG 4.27Å; V115-V341 HydrophobicContact CG2-CG1 4.11Å; V115-V341 HydrophobicContact CG2-CG2 4Å |
| 116 | A | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R112 E113 Y118 I119 E120 A127 P129 I132 | R112-A116 WeakPolarHBondContact O-CB 3.07Å; R112-A116 PolarHBondContact O-N 3.5Å; E113-A116 WeakPolarHBondContact O-CB 3.36Å; E113-A116 PolarHBondContact O-N 2.69Å; A116-Y118 VanDerWaalsContact C-N 3.33Å; A116-Y118 PolarHBondContact O-N 3.45Å; A116-I119 PolarHBondContact O-N 3.47Å; A116-E120 WeakPolarHBondContact O-CB 3.4Å; A116-E120 PolarHBondContact O-N 3.01Å; A116-A127 HydrophobicContact CB-CB 3.85Å; A116-A127 WeakPolarHBondContact O-CB 3.43Å; A116-P129 HydrophobicContact CB-CG 3.8Å; A116-I132 HydrophobicContact CB-CD1 3.76Å |
| 117 | Q | 98.6 | Very high | 98.1 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 177.7 | -170.2 | -177.4 | 35.3 | 0 | 0 | 111.9 | E113 D114 E120 Q121 | E113-Q117 PolarHBondContact O-N 3.3Å; D114-Q117 PolarHBondContact O-N 2.65Å; Q117-E120 PolarHBondContact O-N 3.42Å; Q117-Q121 WeakPolarHBondContact O-CB 3.3Å; Q117-Q121 VanDerWaalsContact O-CG 3.3Å; Q117-Q121 WeakPolarHBondContact O-CG 3.08Å; Q117-Q121 PolarHBondContact O-N 3.14Å |
| 118 | Y | 98.5 | Very high | 98.1 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 11% | 0.106 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.8 | 164.7 | -91 | 0 | 0 | 0 | 112.2 | D114 V115 A116 E120 Q121 R122 Q255 H256 V341 | D114-Y118 VanDerWaalsContact O-CB 3.31Å; D114-Y118 WeakPolarHBondContact O-CB 3.37Å; D114-Y118 PolarHBondContact O-N 2.83Å; V115-Y118 PolarHBondContact O-N 3.27Å; A116-Y118 VanDerWaalsContact C-N 3.33Å; A116-Y118 PolarHBondContact O-N 3.45Å; Y118-E120 VanDerWaalsContact C-N 3.29Å; Y118-E120 PolarHBondContact O-N 3.15Å; Y118-Q121 PolarHBondContact O-N 2.87Å; Y118-R122 WeakPolarHBondContact O-CB 3.4Å; Y118-R122 PolarHBondContact O-N 3.04Å; Y118-Q255 PolarHBondContact OH-OE1 3.31Å; Y118-Q255 VanDerWaalsContact OH-OE1 3.09Å; Y118-H256 PolarHBondContact OH-CE1 2.73Å; Y118-H256 PolarHBondContact OH-NE2 2.81Å; Y118-V341 HydrophobicContact CD1-CB 4.34Å; Y118-V341 HydrophobicContact CD1-CG1 4.1Å; Y118-V341 HydrophobicContact CD2-CB 4.07Å; Y118-V341 HydrophobicContact CD2-CG1 4.43Å; Y118-V341 WeakPolarHBondContact CD2-O 3.31Å; Y118-V341 HydrophobicContact CG-CB 3.76Å; Y118-V341 HydrophobicContact CG-CG1 4.01Å |
| 119 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.6 | -67.7 | 163.6 | 0 | 0 | 0 | 109.7 | V115 A116 R122 D123 A127 I132 K269 Y305 E307 | V115-I119 HydrophobicContact CG1-CD1 3.8Å; V115-I119 HydrophobicContact CG1-CG1 4.49Å; V115-I119 VanDerWaalsContact O-CG1 3.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.49Å; V115-I119 PolarHBondContact O-N 3.42Å; A116-I119 PolarHBondContact O-N 3.47Å; I119-R122 PolarHBondContact O-N 2.93Å; I119-D123 WeakPolarHBondContact O-CB 3.35Å; I119-D123 PolarHBondContact O-N 3.06Å; I119-A127 HydrophobicContact CB-CB 3.95Å; I119-A127 HydrophobicContact CG2-CB 3.91Å; I119-I132 HydrophobicContact CD1-CD1 4.23Å; I119-K269 HydrophobicContact CG2-CD 3.82Å; I119-Y305 HydrophobicContact CD1-CE2 4.06Å; I119-E307 HydrophobicContact CD1-CB 4.23Å; I119-E307 HydrophobicContact CD1-CG 4.39Å |
| 120 | E | 98.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.1 | -177.8 | 173.3 | -164.2 | 0 | 0 | 112.7 | A116 Q117 Y118 Q124 L125 | A116-E120 WeakPolarHBondContact O-CB 3.4Å; A116-E120 PolarHBondContact O-N 3.01Å; Q117-E120 PolarHBondContact O-N 3.42Å; Y118-E120 VanDerWaalsContact C-N 3.29Å; Y118-E120 PolarHBondContact O-N 3.15Å; E120-Q124 WeakPolarHBondContact O-CA 3.34Å; E120-Q124 PolarHBondContact O-N 3.25Å; E120-L125 WeakPolarHBondContact CA-O 3.49Å; E120-L125 WeakPolarHBondContact CB-O 3.2Å; E120-L125 PolarHBondContact O-N 2.8Å |
| 121 | Q | 97.3 | Very high | 98.1 | Very high | 108 Ų | 108 | 48.6 Ų | 48.6 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 175.3 | -72.7 | 172 | 13.2 | 0 | 0 | 112.2 | Q117 Y118 | Q117-Q121 WeakPolarHBondContact O-CB 3.3Å; Q117-Q121 VanDerWaalsContact O-CG 3.3Å; Q117-Q121 WeakPolarHBondContact O-CG 3.08Å; Q117-Q121 PolarHBondContact O-N 3.14Å; Y118-Q121 PolarHBondContact O-N 2.87Å |
| 122 | R | 97.1 | Very high | 98.1 | Very high | 62 Ų | 62 | 48.7 Ų | 48.7 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -48.4 | 180 | -175.5 | -167.4 | 69.2 | -168.8 | -6.4 | 111.6 | Y118 I119 S267 | Y118-R122 WeakPolarHBondContact O-CB 3.4Å; Y118-R122 PolarHBondContact O-N 3.04Å; I119-R122 PolarHBondContact O-N 2.93Å; R122-S267 VanDerWaalsContact NH2-CB 3.28Å |
| 123 | D | 97.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -97.4 | -14.2 | -170.3 | -62.5 | -22.9 | 0 | 0 | 0 | 113.3 | I119 L125 S267 R270 | I119-D123 WeakPolarHBondContact O-CB 3.35Å; I119-D123 PolarHBondContact O-N 3.06Å; D123-L125 VanDerWaalsContact C-N 3.26Å; D123-L125 HydrophobicContact CB-CB 4.15Å; D123-L125 HydrophobicContact CB-CD1 4.12Å; D123-L125 HydrophobicContact CB-CG 4.14Å; D123-S267 PolarHBondContact OD1-OG 3.25Å; D123-S267 PolarHBondContact OD2-OG 2.97Å; D123-S267 VanDerWaalsContact OD2-OG 3.05Å; D123-R270 HydrophobicContact CB-CB 4.26Å; D123-R270 WeakPolarHBondContact O-CD 3.4Å; D123-R270 PolarHBondContact O-NH1 3.22Å |
| 124 | Q | 97.5 | Very high | 98.1 | Very high | 161 Ų | 161 | 44.6 Ų | 44.6 | 75% | 0.752 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 57.5 | 39.7 | -167.8 | -56 | 174.1 | 22.3 | 0 | 0 | 111.9 | E120 | E120-Q124 WeakPolarHBondContact O-CA 3.34Å; E120-Q124 PolarHBondContact O-N 3.25Å |
| 125 | L | 97.3 | Very high | 98.1 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -139.9 | 132.6 | -176.6 | -62.3 | 176 | 0 | 0 | 0 | 110.5 | E120 D123 A127 K269 Y273 | E120-L125 WeakPolarHBondContact CA-O 3.49Å; E120-L125 WeakPolarHBondContact CB-O 3.2Å; E120-L125 PolarHBondContact O-N 2.8Å; D123-L125 VanDerWaalsContact C-N 3.26Å; D123-L125 HydrophobicContact CB-CB 4.15Å; D123-L125 HydrophobicContact CB-CD1 4.12Å; D123-L125 HydrophobicContact CB-CG 4.14Å; L125-A127 PolarHBondContact O-N 3.15Å; L125-K269 HydrophobicContact CD1-CG 4.4Å; L125-Y273 VanDerWaalsContact CD1-CB 3.44Å; L125-Y273 HydrophobicContact CD1-CD1 4.14Å; L125-Y273 HydrophobicContact CD1-CD2 4.19Å; L125-Y273 HydrophobicContact CD1-CG 3.66Å; L125-Y273 HydrophobicContact CD2-CD1 3.46Å; L125-Y273 VanDerWaalsContact CD2-CD1 3.46Å; L125-Y273 HydrophobicContact CD2-CD2 3.61Å; L125-Y273 HydrophobicContact CD2-CE1 3.56Å; L125-Y273 HydrophobicContact CD2-CE2 3.7Å; L125-Y273 HydrophobicContact CD2-CG 3.48Å; L125-Y273 VanDerWaalsContact CD2-CG 3.48Å; L125-Y273 HydrophobicContact CG-CD1 4.42Å; L125-Y273 HydrophobicContact CG-CG 4.23Å |
| 126 | S | 96.5 | Very high | 98 | Very high | 97 Ų | 97 | 46.6 Ų | 46.6 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | trans | -51.3 | 137.1 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | K269 | S126-K269 PolarHBondContact O-NZ 2.6Š| ||
| 127 | A | 98.1 | Very high | 98 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | trans | -121.1 | 143 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | A116 I119 L125 K269 | A116-A127 HydrophobicContact CB-CB 3.85Å; A116-A127 WeakPolarHBondContact O-CB 3.43Å; I119-A127 HydrophobicContact CB-CB 3.95Å; I119-A127 HydrophobicContact CG2-CB 3.91Å; L125-A127 PolarHBondContact O-N 3.15Å; A127-K269 VanDerWaalsContact CB-NZ 3.33Å | ||
| 128 | N | 97.9 | Very high | 98 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | trans | -101.8 | 121.9 | 179.5 | -174.2 | -16.8 | 0 | 0 | 0 | 109.5 | Q130 N131 | N128-Q130 PolarHBondContact O-N 3.08Å; N128-Q130 VanDerWaalsContact O-N 3.07Å; N128-Q130 WeakPolarHBondContact OD1-CB 3.27Å; N128-Q130 PolarHBondContact OD1-N 3.06Å; N128-N131 HydrophobicContact CB-CB 4.4Å; N128-N131 WeakPolarHBondContact O-CB 3.48Å; N128-N131 PolarHBondContact O-N 2.97Å | ||
| 129 | P | 98.3 | Very high | 98 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -54.5 | -25.6 | 174.5 | -26.4 | 35.3 | 0 | 0 | 0 | 114.3 | R112 E113 A116 N131 I132 | R112-P129 HydrophobicContact CB-CB 4.11Å; R112-P129 PolarHBondContact NH1-O 2.81Å; E113-P129 HydrophobicContact CB-CG 4.43Å; E113-P129 HydrophobicContact CG-CB 4.21Å; E113-P129 HydrophobicContact CG-CG 3.93Å; A116-P129 HydrophobicContact CB-CG 3.8Å; P129-N131 VanDerWaalsContact C-N 3.28Å; P129-I132 PolarHBondContact O-N 3.22Å |
| 130 | Q | 97.5 | Very high | 97.9 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -76.1 | -14.5 | 177.3 | -60.2 | -58 | -31.4 | 0 | 0 | 113.8 | N128 I132 Y320 | N128-Q130 PolarHBondContact O-N 3.08Å; N128-Q130 VanDerWaalsContact O-N 3.07Å; N128-Q130 WeakPolarHBondContact OD1-CB 3.27Å; N128-Q130 PolarHBondContact OD1-N 3.06Å; Q130-I132 VanDerWaalsContact C-N 3.33Å; Q130-Y320 PolarHBondContact O-OH 3Å |
| 131 | N | 98.1 | Very high | 97.9 | Very high | 40 Ų | 40 | 40.4 Ų | 40.4 | 21% | 0.214 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -93.4 | 4.2 | 174 | -69.5 | -5.5 | 0 | 0 | 0 | 112.2 | N128 P129 E307 L308 Q316 | N128-N131 HydrophobicContact CB-CB 4.4Å; N128-N131 WeakPolarHBondContact O-CB 3.48Å; N128-N131 PolarHBondContact O-N 2.97Å; P129-N131 VanDerWaalsContact C-N 3.28Å; N131-E307 WeakPolarHBondContact O-CA 3.44Å; N131-L308 VanDerWaalsContact CB-O 3.31Å; N131-L308 WeakPolarHBondContact CB-O 3.39Å; N131-L308 PolarHBondContact ND2-O 2.76Å; N131-L308 PolarHBondContact O-N 3.26Å; N131-Q316 PolarHBondContact OD1-OE1 2.86Å |
| 132 | I | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.9 | -175.6 | -67.6 | 157.2 | 0 | 0 | 0 | 109.1 | R112 V115 A116 I119 P129 Q130 L134 C306 E307 | R112-I132 HydrophobicContact CB-CG2 4.41Å; R112-I132 WeakPolarHBondContact CD-O 3.48Å; R112-I132 HydrophobicContact CG-CG2 4.22Å; V115-I132 HydrophobicContact CB-CD1 4.2Å; V115-I132 HydrophobicContact CB-CG2 4.26Å; V115-I132 HydrophobicContact CG1-CD1 3.78Å; V115-I132 HydrophobicContact CG1-CG1 4.29Å; V115-I132 HydrophobicContact CG1-CG2 3.9Å; A116-I132 HydrophobicContact CB-CD1 3.76Å; I119-I132 HydrophobicContact CD1-CD1 4.23Å; P129-I132 PolarHBondContact O-N 3.22Å; Q130-I132 VanDerWaalsContact C-N 3.33Å; I132-L134 HydrophobicContact CG2-CD2 4.39Å; I132-C306 WeakPolarHBondContact CA-O 3.43Å; I132-E307 HydrophobicContact CG1-CB 4.21Å; I132-E307 HydrophobicContact CG1-CG 4.21Å |
| 133 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.7 | 166 | 70.7 | -90.1 | 0 | 0 | 0 | 111.6 | T106 A141 I145 Y305 C306 L308 L319 Y320 L323 | T106-F133 HydrophobicContact CG2-CB 4.26Å; T106-F133 CarbonylContact O-C 3.59Å; T106-F133 WeakPolarHBondContact O-CA 3.38Å; F133-A141 HydrophobicContact CE2-CB 3.75Å; F133-A141 HydrophobicContact CZ-CB 3.94Å; F133-I145 HydrophobicContact CE1-CD1 4.09Å; F133-I145 HydrophobicContact CZ-CD1 4.16Å; F133-I145 HydrophobicContact CZ-CG1 4.39Å; F133-Y305 CarbonylContact O-C 3.55Å; F133-Y305 VanDerWaalsContact O-CA 3.27Å; F133-Y305 WeakPolarHBondContact O-CA 3.38Å; F133-C306 HydrophobicContact CD1-CB 4.13Å; F133-C306 HydrophobicContact CE1-CB 3.46Å; F133-C306 VanDerWaalsContact CE1-CB 3.46Å; F133-C306 HydrophobicContact CE2-CB 4.06Å; F133-C306 HydrophobicContact CZ-CB 3.43Å; F133-C306 VanDerWaalsContact CZ-CB 3.43Å; F133-C306 PolarHBondContact N-O 3.35Å; F133-C306 PolarHBondContact O-N 3.26Å; F133-L308 HydrophobicContact CD1-CD1 4.49Å; F133-L308 HydrophobicContact CE1-CD1 4.46Å; F133-L308 HydrophobicContact CE1-CD2 4.44Å; F133-L308 HydrophobicContact CE1-CG 4.46Å; F133-L319 HydrophobicContact CD1-CD2 4.22Å; F133-L319 HydrophobicContact CE1-CD2 3.85Å; F133-Y320 HydrophobicContact CB-CE1 4.45Å; F133-Y320 HydrophobicContact CD1-CE1 4.47Å; F133-L323 HydrophobicContact CB-CD1 3.89Å; F133-L323 HydrophobicContact CD1-CD1 4.35Å; F133-L323 HydrophobicContact CD2-CD1 3.68Å; F133-L323 HydrophobicContact CE2-CD1 4.26Å; F133-L323 HydrophobicContact CG-CD1 3.72Å |
| 134 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 149 | 177.2 | -53.5 | -176.1 | 0 | 0 | 0 | 110.7 | T106 V111 R112 V115 I132 G304 R326 Q334 | T106-L134 PolarHBondContact O-N 2.87Å; V111-L134 HydrophobicContact CB-CD1 3.8Å; V111-L134 HydrophobicContact CG1-CD1 3.54Å; V111-L134 HydrophobicContact CG1-CD2 4.27Å; R112-L134 HydrophobicContact CG-CG 4.24Å; V115-L134 HydrophobicContact CG2-CD2 4.27Å; I132-L134 HydrophobicContact CG2-CD2 4.39Å; L134-G304 CarbonylContact C-O 3.55Å; L134-G304 WeakPolarHBondContact CA-O 3.21Å; L134-R326 PolarHBondContact O-NH2 3.39Å; L134-Q334 HydrophobicContact CB-CG 4.09Å; L134-Q334 HydrophobicContact CD1-CB 3.93Å; L134-Q334 HydrophobicContact CD1-CG 3.69Å |
| 135 | S | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 162.3 | -170.7 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | G137 E140 G304 | S135-G137 PolarHBondContact O-N 3.05Å; S135-G137 PolarHBondContact OG-O 2.84Å; S135-E140 WeakPolarHBondContact CA-OE2 3.36Å; S135-E140 WeakPolarHBondContact CB-OE2 3.32Å; S135-G304 PolarHBondContact N-O 2.88Å; S135-G304 PolarHBondContact O-N 2.75Å; S135-G304 VanDerWaalsContact OG-C 3.28Å; S135-G304 PolarHBondContact OG-O 3.3Å |
| 136 | N | 98.3 | Very high | 98.1 | Very high | 47 Ų | 47 | 27.5 Ų | 27.5 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 56.9 | 174.7 | -68.4 | -53.8 | 0 | 0 | 0 | 111.4 | E140 R302 S330 | N136-E140 HydrophobicContact CB-CB 4.35Å; N136-E140 PolarHBondContact N-OE2 3.47Å; N136-E140 PolarHBondContact ND2-OE1 2.84Å; N136-E140 PolarHBondContact ND2-OE2 3Å; N136-R302 CarbonylContact C-O 3.57Å; N136-R302 WeakPolarHBondContact CA-O 3.4Å; N136-R302 HydrophobicContact CB-CB 4.37Å; N136-R302 PolarHBondContact O-NH2 3.29Å; N136-S330 PolarHBondContact OD1-N 3.47Å |
| 137 | G | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 77.9 | 163.5 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S135 S139 E140 R302 | S135-G137 PolarHBondContact O-N 3.05Å; S135-G137 PolarHBondContact OG-O 2.84Å; G137-S139 PolarHBondContact O-N 2.98Å; G137-E140 PolarHBondContact O-N 2.73Å; G137-E140 VanDerWaalsContact O-N 3.12Å; G137-R302 PolarHBondContact N-O 3.14Å |
| 138 | A | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 7% | 0.074 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.9 | -25.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E140 A141 V142 V253 F288 | A138-E140 VanDerWaalsContact C-N 3.32Å; A138-E140 PolarHBondContact O-N 3.09Å; A138-A141 PolarHBondContact O-N 2.87Å; A138-V142 WeakPolarHBondContact O-CG2 3.2Å; A138-V142 PolarHBondContact O-N 3.34Å; A138-V253 HydrophobicContact CB-CG1 3.56Å; A138-F288 HydrophobicContact CB-CB 4.29Å |
| 139 | S | 97.5 | Very high | 98 | Very high | 37 Ų | 37 | 25.6 Ų | 25.6 | 26% | 0.259 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 178.1 | -52.2 | 0 | 0 | 0 | 0 | 113.3 | G137 K143 | G137-S139 PolarHBondContact O-N 2.98Å; S139-K143 WeakPolarHBondContact O-CG 3.42Å; S139-K143 PolarHBondContact O-N 3.16Å; S139-K143 VanDerWaalsContact O-N 3.15Å |
| 140 | E | 97.5 | Very high | 98 | Very high | 42 Ų | 42 | 25.9 Ų | 25.9 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.6 | -38.2 | 177.1 | -178.8 | -171.9 | -120.4 | 0 | 0 | 110.9 | S135 N136 G137 A138 K143 S144 R326 | S135-E140 WeakPolarHBondContact CA-OE2 3.36Å; S135-E140 WeakPolarHBondContact CB-OE2 3.32Å; N136-E140 HydrophobicContact CB-CB 4.35Å; N136-E140 PolarHBondContact N-OE2 3.47Å; N136-E140 PolarHBondContact ND2-OE1 2.84Å; N136-E140 PolarHBondContact ND2-OE2 3Å; G137-E140 PolarHBondContact O-N 2.73Å; G137-E140 VanDerWaalsContact O-N 3.12Å; A138-E140 VanDerWaalsContact C-N 3.32Å; A138-E140 PolarHBondContact O-N 3.09Å; E140-K143 PolarHBondContact O-N 2.83Å; E140-S144 WeakPolarHBondContact O-CB 3.38Å; E140-S144 PolarHBondContact O-N 3.06Å; E140-S144 PolarHBondContact O-OG 2.87Å; E140-R326 WeakPolarHBondContact OE1-CD 3.43Å; E140-R326 IonicContact OE1-CZ 2.87Å; E140-R326 IonicContact OE1-NE 3.52Å; E140-R326 IonicContact OE1-NH1 3.18Å; E140-R326 PolarHBondContact OE1-NH1 3.33Å; E140-R326 IonicContact OE2-CZ 2.83Å; E140-R326 IonicContact OE2-NE 3.65Å; E140-R326 IonicContact OE2-NH1 3.3Å; E140-R326 PolarHBondContact OE2-NH1 2.69Å; E140-R326 VanDerWaalsContact OE2-NH1 3.13Å; E140-R326 IonicContact OE2-NH2 3.44Å |
| 141 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F133 A138 K143 S144 I145 F288 C306 | F133-A141 HydrophobicContact CE2-CB 3.75Å; F133-A141 HydrophobicContact CZ-CB 3.94Å; A138-A141 PolarHBondContact O-N 2.87Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 3.07Å; A141-S144 WeakPolarHBondContact O-CB 3.48Å; A141-S144 PolarHBondContact O-N 3.31Å; A141-S144 VanDerWaalsContact O-N 3.11Å; A141-I145 WeakPolarHBondContact O-CG1 3.45Å; A141-I145 PolarHBondContact O-N 2.83Å; A141-F288 HydrophobicContact CB-CD1 3.74Å; A141-F288 HydrophobicContact CB-CE1 4.03Å; A141-C306 HydrophobicContact CB-CB 3.9Å |
| 142 | V | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.6 | -47.9 | 175.3 | 166.9 | 0 | 0 | 0 | 0 | 110.7 | A138 S144 I145 L146 L170 Y171 F288 | A138-V142 WeakPolarHBondContact O-CG2 3.2Å; A138-V142 PolarHBondContact O-N 3.34Å; V142-S144 VanDerWaalsContact C-N 3.31Å; V142-S144 PolarHBondContact O-N 3.42Å; V142-I145 PolarHBondContact O-N 2.9Å; V142-L146 HydrophobicContact CG1-CD1 3.7Å; V142-L146 HydrophobicContact CG1-CG 4.23Å; V142-L146 WeakPolarHBondContact O-CB 3.48Å; V142-L146 WeakPolarHBondContact O-CG 3.38Å; V142-L146 PolarHBondContact O-N 3.43Å; V142-L170 HydrophobicContact CB-CD2 4.18Å; V142-L170 HydrophobicContact CG1-CD2 4.09Å; V142-L170 HydrophobicContact CG1-CG 4.45Å; V142-L170 HydrophobicContact CG2-CD2 4.46Å; V142-Y171 HydrophobicContact CG1-CD1 4.01Å; V142-Y171 HydrophobicContact CG1-CE1 3.51Å; V142-Y171 HydrophobicContact CG2-CE1 4.25Å; V142-F288 HydrophobicContact CG2-CD1 3.96Å; V142-F288 HydrophobicContact CG2-CD2 3.98Å; V142-F288 HydrophobicContact CG2-CE1 3.99Å; V142-F288 HydrophobicContact CG2-CE2 4.03Å; V142-F288 HydrophobicContact CG2-CG 3.96Å; V142-F288 HydrophobicContact CG2-CZ 4.04Å |
| 143 | K | 97.7 | Very high | 97.4 | Very high | 64 Ų | 64 | 28.4 Ų | 28.4 | 28% | 0.278 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.2 | -43.1 | 175.9 | -78.5 | -163.9 | 174.1 | -154.8 | 0 | 112.3 | S139 E140 A141 I145 L146 Q147 T174 E177 Y178 | S139-K143 WeakPolarHBondContact O-CG 3.42Å; S139-K143 PolarHBondContact O-N 3.16Å; S139-K143 VanDerWaalsContact O-N 3.15Å; E140-K143 PolarHBondContact O-N 2.83Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 3.07Å; K143-I145 PolarHBondContact O-N 3.28Å; K143-L146 PolarHBondContact O-N 3.4Å; K143-Q147 WeakPolarHBondContact O-CB 3.34Å; K143-Q147 PolarHBondContact O-N 3.46Å; K143-T174 HydrophobicContact CG-CG2 3.87Å; K143-E177 WeakPolarHBondContact CE-OE2 3.45Å; K143-E177 IonicContact NZ-OE1 2.76Å; K143-E177 PolarHBondContact NZ-OE1 3.19Å; K143-E177 IonicContact NZ-OE2 2.83Å; K143-E177 PolarHBondContact NZ-OE2 3.36Å; K143-Y178 WeakPolarHBondContact O-CE2 3.28Å |
| 144 | S | 97.9 | Very high | 97.2 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | -179.9 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | E140 A141 V142 L148 | E140-S144 WeakPolarHBondContact O-CB 3.38Å; E140-S144 PolarHBondContact O-N 3.06Å; E140-S144 PolarHBondContact O-OG 2.87Å; A141-S144 WeakPolarHBondContact O-CB 3.48Å; A141-S144 PolarHBondContact O-N 3.31Å; A141-S144 VanDerWaalsContact O-N 3.11Å; V142-S144 VanDerWaalsContact C-N 3.31Å; V142-S144 PolarHBondContact O-N 3.42Å; S144-L148 WeakPolarHBondContact O-CB 3.34Å; S144-L148 PolarHBondContact O-N 3.06Å |
| 145 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.1 | -41.8 | 177.1 | -59 | -55.1 | 0 | 0 | 0 | 111.7 | F133 A141 V142 K143 Q147 L148 I149 L249 A286 F288 L308 L319 | F133-I145 HydrophobicContact CE1-CD1 4.09Å; F133-I145 HydrophobicContact CZ-CD1 4.16Å; F133-I145 HydrophobicContact CZ-CG1 4.39Å; A141-I145 WeakPolarHBondContact O-CG1 3.45Å; A141-I145 PolarHBondContact O-N 2.83Å; V142-I145 PolarHBondContact O-N 2.9Å; K143-I145 PolarHBondContact O-N 3.28Å; I145-Q147 VanDerWaalsContact C-N 3.28Å; I145-Q147 PolarHBondContact O-N 3Å; I145-L148 WeakPolarHBondContact O-CB 3.5Å; I145-L148 PolarHBondContact O-N 3.41Å; I145-L148 VanDerWaalsContact O-N 3.15Å; I145-I149 PolarHBondContact O-N 2.92Å; I145-L249 HydrophobicContact CG2-CD1 3.96Å; I145-L249 HydrophobicContact CG2-CD2 4.15Å; I145-L249 HydrophobicContact CG2-CG 4.05Å; I145-A286 HydrophobicContact CG1-CB 4.24Å; I145-A286 HydrophobicContact CG2-CB 4.15Å; I145-F288 HydrophobicContact CB-CE1 4.38Å; I145-F288 HydrophobicContact CB-CZ 4.1Å; I145-F288 HydrophobicContact CG1-CE1 3.77Å; I145-F288 HydrophobicContact CG1-CZ 3.87Å; I145-F288 HydrophobicContact CG2-CZ 4.44Å; I145-L308 HydrophobicContact CD1-CD2 3.77Å; I145-L319 HydrophobicContact CD1-CD1 4.49Å; I145-L319 HydrophobicContact CD1-CD2 3.84Å |
| 146 | L | 98.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 175.9 | -71.4 | 177.6 | 0 | 0 | 0 | 112.1 | V142 K143 I149 S150 V161 Y171 T174 Y178 L249 | V142-L146 HydrophobicContact CG1-CD1 3.7Å; V142-L146 HydrophobicContact CG1-CG 4.23Å; V142-L146 WeakPolarHBondContact O-CB 3.48Å; V142-L146 WeakPolarHBondContact O-CG 3.38Å; V142-L146 PolarHBondContact O-N 3.43Å; K143-L146 PolarHBondContact O-N 3.4Å; L146-I149 HydrophobicContact CD2-CD1 3.85Å; L146-I149 VanDerWaalsContact O-CG1 3.31Å; L146-I149 WeakPolarHBondContact O-CG1 3.22Å; L146-S150 PolarHBondContact O-N 2.84Å; L146-V161 HydrophobicContact CD2-CG1 4.01Å; L146-V161 HydrophobicContact CD2-CG2 4.07Å; L146-Y171 HydrophobicContact CD1-CD1 4.3Å; L146-T174 HydrophobicContact CB-CG2 4.07Å; L146-T174 HydrophobicContact CD1-CG2 3.53Å; L146-T174 HydrophobicContact CG-CG2 4.46Å; L146-Y178 HydrophobicContact CB-CD2 4.18Å; L146-Y178 HydrophobicContact CB-CE2 4.26Å; L146-L249 HydrophobicContact CD2-CD2 3.64Å; L146-L249 HydrophobicContact CG-CD2 4.1Å |
| 147 | Q | 97.1 | Very high | 96.7 | Very high | 96 Ų | 96 | 43.5 Ų | 43.5 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 172.3 | -173.6 | -179.9 | 13 | 0 | 0 | 111.4 | K143 I145 I149 S150 Y178 | K143-Q147 WeakPolarHBondContact O-CB 3.34Å; K143-Q147 PolarHBondContact O-N 3.46Å; I145-Q147 VanDerWaalsContact C-N 3.28Å; I145-Q147 PolarHBondContact O-N 3Å; Q147-I149 VanDerWaalsContact C-N 3.33Å; Q147-I149 PolarHBondContact O-N 3.45Å; Q147-S150 VanDerWaalsContact O-CB 3.3Å; Q147-S150 WeakPolarHBondContact O-CB 3.47Å; Q147-S150 PolarHBondContact O-N 2.89Å; Q147-Y178 HydrophobicContact CB-CD2 4.36Å; Q147-Y178 HydrophobicContact CB-CE2 3.81Å |
| 148 | L | 97.3 | Very high | 96.6 | Very high | 46 Ų | 46 | 46.6 Ų | 46.6 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 179.8 | -178.9 | 67.3 | 0 | 0 | 0 | 112.8 | S144 I145 S150 F311 V315 L319 | S144-L148 WeakPolarHBondContact O-CB 3.34Å; S144-L148 PolarHBondContact O-N 3.06Å; I145-L148 WeakPolarHBondContact O-CB 3.5Å; I145-L148 PolarHBondContact O-N 3.41Å; I145-L148 VanDerWaalsContact O-N 3.15Å; L148-S150 VanDerWaalsContact C-N 3.32Å; L148-F311 HydrophobicContact CD2-CD1 4.49Å; L148-F311 HydrophobicContact CD2-CE1 4.2Å; L148-V315 HydrophobicContact CD1-CG1 4.18Å; L148-V315 HydrophobicContact CD2-CG1 4.01Å; L148-V315 HydrophobicContact CG-CG1 4.34Å; L148-L319 HydrophobicContact CD1-CB 4.29Å; L148-L319 HydrophobicContact CD2-CB 4.11Å; L148-L319 HydrophobicContact CD2-CD1 4.44Å; L148-L319 HydrophobicContact CD2-CD2 4.36Å |
| 149 | I | 96.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -8.7 | -179.8 | 67.4 | 173.1 | 0 | 0 | 0 | 113.7 | I145 L146 Q147 V161 R214 A215 V247 | I145-I149 PolarHBondContact O-N 2.92Å; L146-I149 HydrophobicContact CD2-CD1 3.85Å; L146-I149 VanDerWaalsContact O-CG1 3.31Å; L146-I149 WeakPolarHBondContact O-CG1 3.22Å; Q147-I149 VanDerWaalsContact C-N 3.33Å; Q147-I149 PolarHBondContact O-N 3.45Å; I149-V161 HydrophobicContact CD1-CG2 3.96Å; I149-R214 HydrophobicContact CB-CB 4.5Å; I149-A215 HydrophobicContact CD1-CB 3.36Å; I149-V247 HydrophobicContact CG2-CG2 4.29Å |
| 150 | S | 96.5 | Very high | 96.6 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | trans | -63.4 | 139 | 179.2 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | L146 Q147 L148 G152 | L146-S150 PolarHBondContact O-N 2.84Å; Q147-S150 VanDerWaalsContact O-CB 3.3Å; Q147-S150 WeakPolarHBondContact O-CB 3.47Å; Q147-S150 PolarHBondContact O-N 2.89Å; L148-S150 VanDerWaalsContact C-N 3.32Å; S150-G152 VanDerWaalsContact C-N 3.34Å; S150-G152 PolarHBondContact OG-N 3.31Å | ||
| 151 | T | 95.2 | Very high | 96.6 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 29% | 0.288 | 24% | 0.244 | S | C | . | . | trans | -82.7 | -17.3 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | E153 R157 R158 S159 | T151-E153 PolarHBondContact O-N 3.46Å; T151-E153 PolarHBondContact OG1-N 2.92Å; T151-R157 PolarHBondContact OG1-O 3.29Å; T151-R158 WeakPolarHBondContact OG1-CA 3.09Å; T151-S159 PolarHBondContact OG1-N 3.09Å | ||
| 152 | G | 92.6 | Very high | 96.7 | Very high | 73 Ų | 73 | 42.6 Ų | 42.6 | 75% | 0.753 | 24% | 0.244 | S | C | * | . | trans | 65.3 | 7.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S150 | S150-G152 VanDerWaalsContact C-N 3.34Å; S150-G152 PolarHBondContact OG-N 3.31Å | ||
| 153 | E | 95.1 | Very high | 96.7 | Very high | 69 Ų | 69 | 42.5 Ų | 42.5 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | trans | -101.6 | 163.2 | -179.1 | -55.8 | -154.9 | 117.6 | 0 | 0 | 112.1 | T151 R157 R158 | T151-E153 PolarHBondContact O-N 3.46Å; T151-E153 PolarHBondContact OG1-N 2.92Å; E153-R157 HydrophobicContact CB-CB 3.84Å; E153-R157 IonicContact OE1-CZ 3.02Å; E153-R157 IonicContact OE1-NE 3.9Å; E153-R157 IonicContact OE1-NH1 3.46Å; E153-R157 PolarHBondContact OE1-NH1 3.06Å; E153-R157 IonicContact OE1-NH2 3.12Å; E153-R157 PolarHBondContact OE1-NH2 3.39Å; E153-R157 VanDerWaalsContact OE1-NH2 3.12Å; E153-R157 WeakPolarHBondContact OE2-CB 3.48Å; E153-R157 WeakPolarHBondContact OE2-CD 3.26Å; E153-R157 IonicContact OE2-CZ 3.32Å; E153-R157 IonicContact OE2-NE 3.47Å; E153-R157 PolarHBondContact OE2-NE 2.96Å; E153-R157 IonicContact OE2-NH1 3.97Å; E153-R157 PolarHBondContact OE2-NH1 3.15Å; E153-R157 VanDerWaalsContact OE2-NH1 3.13Å; E153-R158 VanDerWaalsContact O-CA 3.3Å; E153-R158 WeakPolarHBondContact O-CA 3.44Å; E153-R158 WeakPolarHBondContact O-CB 3.49Å | ||
| 154 | D | 94.1 | Very high | 96.7 | Very high | 111 Ų | 111 | 39.6 Ų | 39.6 | 59% | 0.594 | 23% | 0.231 | S | C | * | . | trans | -101.2 | 173 | 179.9 | -79.2 | -46.6 | 0 | 0 | 0 | 113.5 | S156 R157 N179 | D154-S156 PolarHBondContact O-N 3.49Å; D154-R157 PolarHBondContact O-N 3.2Å; D154-R157 VanDerWaalsContact O-N 3.12Å; D154-N179 PolarHBondContact OD1-ND2 2.89Å | ||
| 155 | G | 93.2 | Very high | 96.7 | Very high | 48 Ų | 48 | 39.2 Ų | 39.2 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | 65.1 | -132 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R157 R158 | G155-R157 PolarHBondContact O-N 2.88Å; G155-R158 VanDerWaalsContact O-CG 3.29Å; G155-R158 WeakPolarHBondContact O-CG 3.46Å; G155-R158 PolarHBondContact O-NE 3.41Å |
| 156 | S | 95.5 | Very high | 96.7 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 49% | 0.49 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -74.9 | -9.4 | 177 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | D154 D209 C211 | D154-S156 PolarHBondContact O-N 3.49Å; S156-D209 VanDerWaalsContact CB-O 3.27Å; S156-D209 WeakPolarHBondContact CB-O 3.43Å; S156-C211 CarbonylContact O-C 3.23Å; S156-C211 VanDerWaalsContact O-C 3.23Å; S156-C211 WeakPolarHBondContact O-CA 3.37Å; S156-C211 PolarHBondContact O-N 3.31Å |
| 157 | R | 96.3 | Very high | 96.6 | Very high | 138 Ų | 138 | 39.6 Ų | 39.6 | 52% | 0.521 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -97 | -6.3 | -178.8 | -57.1 | -166.3 | -68 | 149.1 | 6.8 | 114.1 | T151 E153 D154 G155 I212 | T151-R157 PolarHBondContact OG1-O 3.29Å; E153-R157 HydrophobicContact CB-CB 3.84Å; E153-R157 IonicContact OE1-CZ 3.02Å; E153-R157 IonicContact OE1-NE 3.9Å; E153-R157 IonicContact OE1-NH1 3.46Å; E153-R157 PolarHBondContact OE1-NH1 3.06Å; E153-R157 IonicContact OE1-NH2 3.12Å; E153-R157 PolarHBondContact OE1-NH2 3.39Å; E153-R157 VanDerWaalsContact OE1-NH2 3.12Å; E153-R157 WeakPolarHBondContact OE2-CB 3.48Å; E153-R157 WeakPolarHBondContact OE2-CD 3.26Å; E153-R157 IonicContact OE2-CZ 3.32Å; E153-R157 IonicContact OE2-NE 3.47Å; E153-R157 PolarHBondContact OE2-NE 2.96Å; E153-R157 IonicContact OE2-NH1 3.97Å; E153-R157 PolarHBondContact OE2-NH1 3.15Å; E153-R157 VanDerWaalsContact OE2-NH1 3.13Å; D154-R157 PolarHBondContact O-N 3.2Å; D154-R157 VanDerWaalsContact O-N 3.12Å; G155-R157 PolarHBondContact O-N 2.88Å; R157-I212 HydrophobicContact CB-CD1 4.48Å |
| 158 | R | 96.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -62.7 | 152.1 | 172.1 | 74.3 | -173.2 | 156.8 | 168.5 | -4 | 111.3 | T151 E153 G155 N179 C211 I212 | T151-R158 WeakPolarHBondContact OG1-CA 3.09Å; E153-R158 VanDerWaalsContact O-CA 3.3Å; E153-R158 WeakPolarHBondContact O-CA 3.44Å; E153-R158 WeakPolarHBondContact O-CB 3.49Å; G155-R158 VanDerWaalsContact O-CG 3.29Å; G155-R158 WeakPolarHBondContact O-CG 3.46Å; G155-R158 PolarHBondContact O-NE 3.41Å; R158-N179 VanDerWaalsContact CD-O 3.27Å; R158-N179 WeakPolarHBondContact CD-O 3.37Å; R158-C211 HydrophobicContact CG-CB 4.33Å; R158-C211 WeakPolarHBondContact O-CA 3.29Å; R158-C211 WeakPolarHBondContact O-CB 3.41Å; R158-I212 PolarHBondContact O-N 2.86Å |
| 159 | S | 97.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 139.2 | 174.3 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | T151 A180 Y181 I212 | T151-S159 PolarHBondContact OG1-N 3.09Å; S159-A180 CarbonylContact O-C 3.34Å; S159-A180 WeakPolarHBondContact O-CA 3.32Å; S159-Y181 PolarHBondContact O-N 3.43Å; S159-I212 CarbonylContact C-O 3.55Å |
| 160 | G | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y181 I212 R214 A215 | G160-Y181 CarbonylContact C-O 3.58Å; G160-Y181 WeakPolarHBondContact CA-O 3.48Å; G160-I212 PolarHBondContact N-O 3.02Å; G160-R214 PolarHBondContact O-N 3.44Å; G160-A215 PolarHBondContact O-N 2.84Å |
| 161 | V | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.8 | 179.4 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | L146 I149 V163 A180 Y181 I183 A215 V217 | L146-V161 HydrophobicContact CD2-CG1 4.01Å; L146-V161 HydrophobicContact CD2-CG2 4.07Å; I149-V161 HydrophobicContact CD1-CG2 3.96Å; V161-V163 HydrophobicContact CG1-CG2 3.91Å; V161-A180 HydrophobicContact CG2-CB 4.26Å; V161-Y181 PolarHBondContact N-O 3.45Å; V161-I183 PolarHBondContact O-N 2.79Å; V161-A215 HydrophobicContact CG1-CB 4.37Å; V161-V217 HydrophobicContact CG1-CG2 3.79Å |
| 162 | M | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 127.4 | 174.6 | -56.8 | -178.8 | 74.3 | 0 | 0 | 110.2 | I183 Y185 L200 A203 L204 A215 L216 V217 F240 L246 | M162-I183 VanDerWaalsContact CA-O 3.24Å; M162-I183 WeakPolarHBondContact CA-O 3.42Å; M162-I183 HydrophobicContact CB-CB 4.39Å; M162-I183 HydrophobicContact CE-CG2 4.46Å; M162-I183 HydrophobicContact CG-CB 3.9Å; M162-I183 HydrophobicContact CG-CD1 4.07Å; M162-I183 HydrophobicContact CG-CG2 3.95Å; M162-Y185 HydrophobicContact CB-CD1 4Å; M162-Y185 HydrophobicContact CB-CE1 4.43Å; M162-L200 HydrophobicContact CE-CB 4.2Å; M162-L200 HydrophobicContact CE-CD2 3.79Å; M162-L200 WeakPolarHBondContact CE-O 3.31Å; M162-A203 HydrophobicContact CE-CB 4.09Å; M162-L204 HydrophobicContact CE-CD2 4.1Å; M162-L204 HydrophobicContact CE-CG 3.8Å; M162-L204 HydrophobicContact CG-CD2 4.01Å; M162-L204 HydrophobicContact SD-CD1 4.17Å; M162-L204 HydrophobicContact SD-CD2 3.43Å; M162-L204 WeakPolarHBondContact SD-CD2 3.24Å; M162-L204 HydrophobicContact SD-CG 3.63Å; M162-A215 PolarHBondContact N-O 3.19Å; M162-L216 HydrophobicContact CB-CB 4.45Å; M162-L216 HydrophobicContact CB-CD1 3.58Å; M162-L216 HydrophobicContact CE-CD1 4.46Å; M162-L216 HydrophobicContact CG-CD1 4.46Å; M162-L216 HydrophobicContact SD-CD1 4.14Å; M162-V217 WeakPolarHBondContact O-CB 3.32Å; M162-V217 PolarHBondContact O-N 2.89Å; M162-F240 HydrophobicContact CE-CE1 4.16Å; M162-F240 HydrophobicContact CE-CZ 4.12Å; M162-F240 HydrophobicContact SD-CE1 3.95Å; M162-F240 HydrophobicContact SD-CZ 4.25Å; M162-L246 HydrophobicContact SD-CD1 3.66Å |
| 163 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135 | -174.8 | -175.2 | 0 | 0 | 0 | 0 | 110 | V161 Q167 Y171 Q182 I183 Y185 V217 | V161-V163 HydrophobicContact CG1-CG2 3.91Å; V163-Q167 HydrophobicContact CG1-CB 3.78Å; V163-Q167 VanDerWaalsContact CG1-OE1 3.29Å; V163-Y171 HydrophobicContact CG1-CG 4.37Å; V163-Q182 HydrophobicContact CB-CG 4.07Å; V163-Q182 HydrophobicContact CG2-CG 3.97Å; V163-I183 PolarHBondContact N-O 3.02Å; V163-Y185 VanDerWaalsContact O-CD1 3.28Å; V163-Y185 WeakPolarHBondContact O-CD1 3.07Å; V163-Y185 PolarHBondContact O-N 3.02Å; V163-Y185 VanDerWaalsContact O-N 3.07Å; V163-V217 HydrophobicContact CG2-CG2 4.35Å |
| 164 | P | 98.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 146.8 | -178.7 | 21 | -29.7 | 0 | 0 | 0 | 111.3 | P166 Q167 Y185 L187 I219 | P164-P166 CarbonylContact O-C 3.44Å; P164-P166 VanDerWaalsContact O-C 3.26Å; P164-Q167 VanDerWaalsContact O-CA 3.25Å; P164-Q167 WeakPolarHBondContact O-CA 3.24Å; P164-Q167 WeakPolarHBondContact O-CB 3.48Å; P164-Q167 PolarHBondContact O-N 3.37Å; P164-Y185 CarbonylContact C-O 3.57Å; P164-Y185 WeakPolarHBondContact CA-O 3.38Å; P164-Y185 HydrophobicContact CB-CD2 4.49Å; P164-Y185 HydrophobicContact CB-CE1 4.1Å; P164-Y185 HydrophobicContact CB-CE2 3.65Å; P164-Y185 VanDerWaalsContact CB-CZ 3.44Å; P164-Y185 VanDerWaalsContact CB-OH 3.31Å; P164-Y185 WeakPolarHBondContact CB-OH 3.46Å; P164-Y185 WeakPolarHBondContact CD-OH 3.17Å; P164-Y185 HydrophobicContact CG-CE1 4.41Å; P164-L187 HydrophobicContact CB-CD1 4.06Å; P164-L187 HydrophobicContact CB-CD2 4.22Å; P164-L187 HydrophobicContact CB-CG 4.05Å; P164-I219 HydrophobicContact CG-CD1 3.91Å; P164-I219 HydrophobicContact CG-CG1 4.13Å |
| 165 | I | 98.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.4 | 167.7 | -59.7 | -61 | 0 | 0 | 0 | 107.2 | D184 Y185 Y186 L187 G437 | I165-D184 HydrophobicContact CD1-CB 4.41Å; I165-D184 HydrophobicContact CG1-CB 3.76Å; I165-Y185 PolarHBondContact N-O 3.37Å; I165-Y186 HydrophobicContact CB-CD1 3.81Å; I165-Y186 HydrophobicContact CB-CE1 4Å; I165-Y186 HydrophobicContact CB-CG 4.37Å; I165-Y186 HydrophobicContact CG2-CD1 3.69Å; I165-Y186 HydrophobicContact CG2-CE1 3.59Å; I165-L187 PolarHBondContact O-N 3.21Å; I165-G437 VanDerWaalsContact CG2-C 3.43Å |
| 166 | P | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.013 | 10% | 0.099 | C | C | . | . | S | Bend | cis | -71.3 | 146.9 | 3.6 | -13.1 | 28.9 | 0 | 0 | 0 | 113.6 | P164 W193 P224 T225 F394 F436 G437 | P164-P166 CarbonylContact O-C 3.44Å; P164-P166 VanDerWaalsContact O-C 3.26Å; P166-W193 HydrophobicContact CG-CH2 4.12Å; P166-W193 HydrophobicContact CG-CZ3 4.08Å; P166-P224 HydrophobicContact CB-CG 3.59Å; P166-P224 HydrophobicContact CG-CG 4.41Å; P166-T225 HydrophobicContact CB-CG2 4.4Å; P166-T225 HydrophobicContact CG-CG2 3.88Å; P166-F394 HydrophobicContact CB-CD1 4.37Å; P166-F394 HydrophobicContact CB-CE1 3.8Å; P166-F394 HydrophobicContact CB-CZ 4.06Å; P166-F394 HydrophobicContact CG-CD1 3.74Å; P166-F394 HydrophobicContact CG-CE1 3.33Å; P166-F394 HydrophobicContact CG-CZ 4.1Å; P166-F436 HydrophobicContact CB-CB 4Å; P166-G437 WeakPolarHBondContact CA-O 3.32Å; P166-G437 WeakPolarHBondContact CB-O 3.49Å |
| 167 | Q | 95.9 | Very high | 96.7 | Very high | 11 Ų | 11 | 19 Ų | 19 | 5% | 0.051 | 9% | 0.089 | C | C | . | . | trans | -108.4 | 163.3 | -179.8 | 68.7 | -168.5 | -63.6 | 0 | 0 | 113.4 | V163 P164 P169 S172 Q182 N223 F436 | V163-Q167 HydrophobicContact CG1-CB 3.78Å; V163-Q167 VanDerWaalsContact CG1-OE1 3.29Å; P164-Q167 VanDerWaalsContact O-CA 3.25Å; P164-Q167 WeakPolarHBondContact O-CA 3.24Å; P164-Q167 WeakPolarHBondContact O-CB 3.48Å; P164-Q167 PolarHBondContact O-N 3.37Å; Q167-P169 WeakPolarHBondContact O-CD 3Å; Q167-S172 VanDerWaalsContact OE1-N 3.09Å; Q167-S172 PolarHBondContact OE1-OG 2.79Å; Q167-Q182 VanDerWaalsContact NE2-NE2 3.19Å; Q167-N223 CarbonylContact C-O 3.2Å; Q167-F436 WeakPolarHBondContact CG-O 3.45Å; Q167-F436 PolarHBondContact N-O 2.83Å; Q167-F436 VanDerWaalsContact O-CD1 3.25Å; Q167-F436 WeakPolarHBondContact O-CD1 3.4Å | ||
| 168 | Y | 95.6 | Very high | 96.7 | Very high | 35 Ų | 35 | 15.2 Ų | 15.2 | 14% | 0.137 | 8% | 0.075 | C | C | . | . | trans | -77.3 | 120.4 | 151.3 | 177.7 | -130.9 | 0 | 0 | 0 | 110 | Y15 L170 Y171 N223 | Y15-Y168 HydrophobicContact CE2-CE2 4.44Å; Y15-Y168 WeakPolarHBondContact OH-CE2 3.43Å; Y15-Y168 PolarHBondContact OH-OH 2.99Å; Y168-L170 HydrophobicContact CD1-CB 3.63Å; Y168-L170 HydrophobicContact CD1-CD2 4.38Å; Y168-L170 HydrophobicContact CE1-CB 3.35Å; Y168-L170 HydrophobicContact CE1-CD2 3.85Å; Y168-L170 HydrophobicContact CE1-CG 4.25Å; Y168-L170 HydrophobicContact CG-CB 4.47Å; Y168-L170 PolarHBondContact O-N 2.93Å; Y168-Y171 HydrophobicContact CD1-CE2 4.41Å; Y168-Y171 WeakPolarHBondContact O-CD2 3.09Å; Y168-Y171 PolarHBondContact O-N 2.94Å; Y168-N223 WeakPolarHBondContact CD2-ND2 3.37Å; Y168-N223 PolarHBondContact N-O 3.36Å | ||
| 169 | P | 93.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -0.4 | -166.9 | -25.7 | 36.8 | 0 | 0 | 0 | 117 | Y15 V17 Q167 Y171 S172 A173 G435 F436 | Y15-P169 HydrophobicContact CD2-CB 3.89Å; Y15-P169 HydrophobicContact CE2-CB 4.1Å; V17-P169 HydrophobicContact CG2-CG 4.23Å; Q167-P169 WeakPolarHBondContact O-CD 3Å; P169-Y171 PolarHBondContact O-N 3.25Å; P169-S172 PolarHBondContact O-OG 3.28Å; P169-A173 WeakPolarHBondContact O-CB 3.49Å; P169-A173 PolarHBondContact O-N 3.4Å; P169-G435 VanDerWaalsContact CG-O 3.27Å; P169-G435 WeakPolarHBondContact CG-O 3.49Å; P169-F436 HydrophobicContact CG-CD1 4Å; P169-F436 HydrophobicContact CG-CE1 4.34Å |
| 170 | L | 95.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 14 Ų | 14 | 8% | 0.079 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 171.8 | 172.2 | 66.1 | 0 | 0 | 0 | 111.3 | V142 Y168 T174 | V142-L170 HydrophobicContact CB-CD2 4.18Å; V142-L170 HydrophobicContact CG1-CD2 4.09Å; V142-L170 HydrophobicContact CG1-CG 4.45Å; V142-L170 HydrophobicContact CG2-CD2 4.46Å; Y168-L170 HydrophobicContact CD1-CB 3.63Å; Y168-L170 HydrophobicContact CD1-CD2 4.38Å; Y168-L170 HydrophobicContact CE1-CB 3.35Å; Y168-L170 HydrophobicContact CE1-CD2 3.85Å; Y168-L170 HydrophobicContact CE1-CG 4.25Å; Y168-L170 HydrophobicContact CG-CB 4.47Å; Y168-L170 PolarHBondContact O-N 2.93Å; L170-T174 VanDerWaalsContact O-CB 3.31Å; L170-T174 WeakPolarHBondContact O-CB 3.34Å; L170-T174 PolarHBondContact O-N 3.41Å; L170-T174 PolarHBondContact O-OG1 2.9Å |
| 171 | Y | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.1 | -52.3 | -176.8 | -66.2 | -75.3 | 0 | 0 | 0 | 111.4 | V142 L146 V163 Y168 P169 A173 T174 N175 V217 I219 D251 | V142-Y171 HydrophobicContact CG1-CD1 4.01Å; V142-Y171 HydrophobicContact CG1-CE1 3.51Å; V142-Y171 HydrophobicContact CG2-CE1 4.25Å; L146-Y171 HydrophobicContact CD1-CD1 4.3Å; V163-Y171 HydrophobicContact CG1-CG 4.37Å; Y168-Y171 HydrophobicContact CD1-CE2 4.41Å; Y168-Y171 WeakPolarHBondContact O-CD2 3.09Å; Y168-Y171 PolarHBondContact O-N 2.94Å; P169-Y171 PolarHBondContact O-N 3.25Å; Y171-A173 VanDerWaalsContact C-N 3.34Å; Y171-A173 PolarHBondContact O-N 3.11Å; Y171-T174 PolarHBondContact O-N 3.39Å; Y171-N175 WeakPolarHBondContact O-CB 3.42Å; Y171-N175 PolarHBondContact O-N 3.07Å; Y171-N175 PolarHBondContact O-ND2 2.69Å; Y171-V217 HydrophobicContact CD1-CB 4.26Å; Y171-V217 HydrophobicContact CD1-CG1 3.7Å; Y171-V217 HydrophobicContact CD1-CG2 3.59Å; Y171-V217 HydrophobicContact CD2-CG1 3.97Å; Y171-V217 HydrophobicContact CE1-CB 4.25Å; Y171-V217 HydrophobicContact CE1-CG1 3.41Å; Y171-V217 VanDerWaalsContact CE1-CG1 3.41Å; Y171-V217 HydrophobicContact CE1-CG2 3.76Å; Y171-V217 HydrophobicContact CE2-CG1 3.72Å; Y171-V217 HydrophobicContact CG-CG1 3.98Å; Y171-V217 HydrophobicContact CG-CG2 4.34Å; Y171-V217 VanDerWaalsContact CZ-CG1 3.44Å; Y171-I219 HydrophobicContact CD2-CD1 4.13Å; Y171-I219 HydrophobicContact CE2-CD1 3.83Å; Y171-I219 HydrophobicContact CE2-CG1 4.09Å; Y171-D251 VanDerWaalsContact OH-CB 3.22Å; Y171-D251 WeakPolarHBondContact OH-CB 3.12Å; Y171-D251 VanDerWaalsContact OH-CG 3.24Å; Y171-D251 PolarHBondContact OH-OD2 3.11Å |
| 172 | S | 95.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 18.3 Ų | 18.3 | 18% | 0.182 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.8 | -43.1 | 174.3 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | Q167 P169 T174 N175 A176 | Q167-S172 VanDerWaalsContact OE1-N 3.09Å; Q167-S172 PolarHBondContact OE1-OG 2.79Å; P169-S172 PolarHBondContact O-OG 3.28Å; S172-T174 PolarHBondContact O-N 3.15Å; S172-N175 PolarHBondContact O-N 3.47Å; S172-A176 WeakPolarHBondContact O-CB 3.35Å; S172-A176 PolarHBondContact O-N 2.91Å |
| 173 | A | 95.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 6% | 0.058 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L13 Y15 P169 Y171 A176 E177 | L13-A173 HydrophobicContact CD1-CB 4.18Å; L13-A173 WeakPolarHBondContact CD1-O 3.43Å; L13-A173 HydrophobicContact CD2-CB 4.04Å; L13-A173 HydrophobicContact CG-CB 3.83Å; Y15-A173 HydrophobicContact CD2-CB 4.32Å; P169-A173 WeakPolarHBondContact O-CB 3.49Å; P169-A173 PolarHBondContact O-N 3.4Å; Y171-A173 VanDerWaalsContact C-N 3.34Å; Y171-A173 PolarHBondContact O-N 3.11Å; A173-A176 PolarHBondContact O-N 3.44Å; A173-E177 PolarHBondContact O-N 3.31Å |
| 174 | T | 96.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70.9 | -39 | -179.8 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | K143 L146 L170 Y171 S172 A176 E177 Y178 | K143-T174 HydrophobicContact CG-CG2 3.87Å; L146-T174 HydrophobicContact CB-CG2 4.07Å; L146-T174 HydrophobicContact CD1-CG2 3.53Å; L146-T174 HydrophobicContact CG-CG2 4.46Å; L170-T174 VanDerWaalsContact O-CB 3.31Å; L170-T174 WeakPolarHBondContact O-CB 3.34Å; L170-T174 PolarHBondContact O-N 3.41Å; L170-T174 PolarHBondContact O-OG1 2.9Å; Y171-T174 PolarHBondContact O-N 3.39Å; S172-T174 PolarHBondContact O-N 3.15Å; T174-A176 VanDerWaalsContact C-N 3.3Å; T174-A176 PolarHBondContact O-N 2.95Å; T174-E177 WeakPolarHBondContact O-CB 3.41Å; T174-E177 PolarHBondContact O-N 2.86Å; T174-Y178 HydrophobicContact CG2-CD2 3.59Å; T174-Y178 HydrophobicContact CG2-CE2 3.44Å; T174-Y178 VanDerWaalsContact CG2-CE2 3.44Å; T174-Y178 HydrophobicContact CG2-CG 4.4Å; T174-Y178 PolarHBondContact O-N 2.92Å |
| 175 | N | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 174.4 | -71.6 | -16.1 | 0 | 0 | 0 | 110.8 | Y171 S172 Y178 N179 A180 | Y171-N175 WeakPolarHBondContact O-CB 3.42Å; Y171-N175 PolarHBondContact O-N 3.07Å; Y171-N175 PolarHBondContact O-ND2 2.69Å; S172-N175 PolarHBondContact O-N 3.47Å; N175-Y178 PolarHBondContact O-N 3.18Å; N175-N179 CarbonylContact O-C 3.26Å; N175-N179 PolarHBondContact O-N 3.24Å; N175-N179 VanDerWaalsContact O-N 3.08Å; N175-A180 HydrophobicContact CB-CB 4.07Å; N175-A180 PolarHBondContact O-N 3.08Å |
| 176 | A | 95.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 24.6 Ų | 24.6 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H9 L13 S172 A173 T174 Y178 N179 | H9-A176 VanDerWaalsContact CB-O 3.27Å; H9-A176 WeakPolarHBondContact CB-O 3.45Å; L13-A176 HydrophobicContact CB-CB 4.45Å; S172-A176 WeakPolarHBondContact O-CB 3.35Å; S172-A176 PolarHBondContact O-N 2.91Å; A173-A176 PolarHBondContact O-N 3.44Å; T174-A176 VanDerWaalsContact C-N 3.3Å; T174-A176 PolarHBondContact O-N 2.95Å; A176-Y178 VanDerWaalsContact C-N 3.34Å; A176-Y178 PolarHBondContact O-N 2.94Å; A176-N179 PolarHBondContact O-N 2.66Å |
| 177 | E | 95.3 | Very high | 96.5 | Very high | 58 Ų | 58 | 25 Ų | 25 | 27% | 0.271 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -56.7 | -43 | 179.1 | -167 | 177.5 | 172.2 | 0 | 0 | 112.8 | L13 K143 A173 T174 | L13-E177 HydrophobicContact CD1-CB 4.1Å; K143-E177 WeakPolarHBondContact CE-OE2 3.45Å; K143-E177 IonicContact NZ-OE1 2.76Å; K143-E177 PolarHBondContact NZ-OE1 3.19Å; K143-E177 IonicContact NZ-OE2 2.83Å; K143-E177 PolarHBondContact NZ-OE2 3.36Å; A173-E177 PolarHBondContact O-N 3.31Å; T174-E177 WeakPolarHBondContact O-CB 3.41Å; T174-E177 PolarHBondContact O-N 2.86Å |
| 178 | Y | 95.6 | Very high | 96.6 | Very high | 58 Ų | 58 | 27.3 Ų | 27.3 | 23% | 0.227 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 10.1 | -177.3 | -62.9 | -20.2 | 0 | 0 | 0 | 114.2 | K143 L146 Q147 T174 N175 A176 A180 | K143-Y178 WeakPolarHBondContact O-CE2 3.28Å; L146-Y178 HydrophobicContact CB-CD2 4.18Å; L146-Y178 HydrophobicContact CB-CE2 4.26Å; Q147-Y178 HydrophobicContact CB-CD2 4.36Å; Q147-Y178 HydrophobicContact CB-CE2 3.81Å; T174-Y178 HydrophobicContact CG2-CD2 3.59Å; T174-Y178 HydrophobicContact CG2-CE2 3.44Å; T174-Y178 VanDerWaalsContact CG2-CE2 3.44Å; T174-Y178 HydrophobicContact CG2-CG 4.4Å; T174-Y178 PolarHBondContact O-N 2.92Å; N175-Y178 PolarHBondContact O-N 3.18Å; A176-Y178 VanDerWaalsContact C-N 3.34Å; A176-Y178 PolarHBondContact O-N 2.94Å; Y178-A180 PolarHBondContact O-N 2.79Å |
| 179 | N | 96 | Very high | 96.7 | Very high | 29 Ų | 29 | 27 Ų | 27 | 16% | 0.155 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 28 | -177.5 | -168 | 34.8 | 0 | 0 | 0 | 114.3 | H9 D154 R158 N175 A176 | H9-N179 VanDerWaalsContact CE1-CB 3.43Å; H9-N179 WeakPolarHBondContact CE1-CB 3.37Å; H9-N179 PolarHBondContact CE1-OD1 3.46Å; D154-N179 PolarHBondContact OD1-ND2 2.89Å; R158-N179 VanDerWaalsContact CD-O 3.27Å; R158-N179 WeakPolarHBondContact CD-O 3.37Å; N175-N179 CarbonylContact O-C 3.26Å; N175-N179 PolarHBondContact O-N 3.24Å; N175-N179 VanDerWaalsContact O-N 3.08Å; A176-N179 PolarHBondContact O-N 2.66Å |
| 180 | A | 97 | Very high | 96.9 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 147.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S159 V161 N175 Y178 | S159-A180 CarbonylContact O-C 3.34Å; S159-A180 WeakPolarHBondContact O-CA 3.32Å; V161-A180 HydrophobicContact CG2-CB 4.26Å; N175-A180 HydrophobicContact CB-CB 4.07Å; N175-A180 PolarHBondContact O-N 3.08Å; Y178-A180 PolarHBondContact O-N 2.79Å |
| 181 | Y | 97.4 | Very high | 97 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 126.3 | 169.5 | -170.2 | -104.1 | 0 | 0 | 0 | 110.2 | S159 G160 V161 I183 C207 K210 C211 | S159-Y181 PolarHBondContact O-N 3.43Å; G160-Y181 CarbonylContact C-O 3.58Å; G160-Y181 WeakPolarHBondContact CA-O 3.48Å; V161-Y181 PolarHBondContact N-O 3.45Å; Y181-I183 HydrophobicContact CD1-CG1 3.78Å; Y181-I183 HydrophobicContact CE1-CG1 4.1Å; Y181-C207 HydrophobicContact CE1-CB 4Å; Y181-K210 HydrophobicContact CD1-CB 4.48Å; Y181-K210 HydrophobicContact CE1-CB 4.14Å; Y181-K210 HydrophobicContact CE1-CD 4.23Å; Y181-K210 HydrophobicContact CE2-CB 4.28Å; Y181-K210 HydrophobicContact CE2-CD 4.22Å; Y181-K210 WeakPolarHBondContact OH-CD 3.4Å; Y181-C211 HydrophobicContact CD1-CB 3.92Å; Y181-C211 WeakPolarHBondContact CD1-SG 3.43Å; Y181-C211 HydrophobicContact CG-CB 3.91Å |
| 182 | Q | 97.6 | Very high | 96.9 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122.1 | 172.6 | -170.7 | 177.8 | -52.7 | 0 | 0 | 109.8 | V163 Q167 D184 | V163-Q182 HydrophobicContact CB-CG 4.07Å; V163-Q182 HydrophobicContact CG2-CG 3.97Å; Q167-Q182 VanDerWaalsContact NE2-NE2 3.19Å; Q182-D184 WeakPolarHBondContact CG-OD1 3.45Å; Q182-D184 PolarHBondContact NE2-OD1 3.3Å |
| 183 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 99.4 | 172.4 | -55.9 | 172.2 | 0 | 0 | 0 | 106.9 | V161 M162 V163 Y181 Y185 A203 L204 C207 P213 | V161-I183 PolarHBondContact O-N 2.79Å; M162-I183 VanDerWaalsContact CA-O 3.24Å; M162-I183 WeakPolarHBondContact CA-O 3.42Å; M162-I183 HydrophobicContact CB-CB 4.39Å; M162-I183 HydrophobicContact CE-CG2 4.46Å; M162-I183 HydrophobicContact CG-CB 3.9Å; M162-I183 HydrophobicContact CG-CD1 4.07Å; M162-I183 HydrophobicContact CG-CG2 3.95Å; V163-I183 PolarHBondContact N-O 3.02Å; Y181-I183 HydrophobicContact CD1-CG1 3.78Å; Y181-I183 HydrophobicContact CE1-CG1 4.1Å; I183-Y185 PolarHBondContact O-N 3.02Å; I183-A203 HydrophobicContact CG2-CB 4.04Å; I183-L204 HydrophobicContact CD1-CD2 4.07Å; I183-C207 HydrophobicContact CD1-CB 4.3Å; I183-C207 HydrophobicContact CG1-CB 4.07Å; I183-C207 HydrophobicContact CG2-CB 4.33Å; I183-P213 HydrophobicContact CD1-CB 4.06Å; I183-P213 HydrophobicContact CD1-CG 3.98Å |
| 184 | D | 98 | Very high | 97.1 | Very high | 63 Ų | 63 | 38 Ų | 38 | 34% | 0.337 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.1 | -179.6 | -68.5 | -12 | 0 | 0 | 0 | 110.8 | I165 Q182 A203 | I165-D184 HydrophobicContact CD1-CB 4.41Å; I165-D184 HydrophobicContact CG1-CB 3.76Å; Q182-D184 WeakPolarHBondContact CG-OD1 3.45Å; Q182-D184 PolarHBondContact NE2-OD1 3.3Å; D184-A203 WeakPolarHBondContact O-CB 3.13Å |
| 185 | Y | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.9 | 171.3 | 83.5 | -107 | 0 | 0 | 0 | 109.6 | M162 V163 P164 I165 I183 L187 L195 Q199 L200 L216 V217 | M162-Y185 HydrophobicContact CB-CD1 4Å; M162-Y185 HydrophobicContact CB-CE1 4.43Å; V163-Y185 VanDerWaalsContact O-CD1 3.28Å; V163-Y185 WeakPolarHBondContact O-CD1 3.07Å; V163-Y185 PolarHBondContact O-N 3.02Å; V163-Y185 VanDerWaalsContact O-N 3.07Å; P164-Y185 CarbonylContact C-O 3.57Å; P164-Y185 WeakPolarHBondContact CA-O 3.38Å; P164-Y185 HydrophobicContact CB-CD2 4.49Å; P164-Y185 HydrophobicContact CB-CE1 4.1Å; P164-Y185 HydrophobicContact CB-CE2 3.65Å; P164-Y185 VanDerWaalsContact CB-CZ 3.44Å; P164-Y185 VanDerWaalsContact CB-OH 3.31Å; P164-Y185 WeakPolarHBondContact CB-OH 3.46Å; P164-Y185 WeakPolarHBondContact CD-OH 3.17Å; P164-Y185 HydrophobicContact CG-CE1 4.41Å; I165-Y185 PolarHBondContact N-O 3.37Å; I183-Y185 PolarHBondContact O-N 3.02Å; Y185-L187 HydrophobicContact CE2-CD2 3.89Å; Y185-L195 HydrophobicContact CD2-CD2 4.05Å; Y185-L195 HydrophobicContact CE2-CD2 3.23Å; Y185-L195 HydrophobicContact CE2-CG 4.22Å; Y185-Q199 VanDerWaalsContact CA-NE2 3.26Å; Y185-L200 HydrophobicContact CD1-CD2 3.89Å; Y185-L200 HydrophobicContact CD2-CD2 3.57Å; Y185-L200 HydrophobicContact CE1-CD2 4.3Å; Y185-L200 HydrophobicContact CE2-CD2 4.08Å; Y185-L200 HydrophobicContact CG-CD2 3.49Å; Y185-L200 VanDerWaalsContact CG-CD2 3.49Å; Y185-L216 HydrophobicContact CD1-CD1 3.97Å; Y185-L216 HydrophobicContact CE1-CD1 3.5Å; Y185-L216 VanDerWaalsContact CE1-CD1 3.5Å; Y185-V217 WeakPolarHBondContact CE1-O 3.25Å; Y185-V217 PolarHBondContact OH-O 3.14Å |
| 186 | Y | 98.5 | Very high | 97.1 | Very high | 77 Ų | 77 | 40.2 Ų | 40.2 | 30% | 0.302 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.3 | -171.3 | -66.2 | -91.7 | 0 | 0 | 0 | 111.3 | I165 Q199 V439 | I165-Y186 HydrophobicContact CB-CD1 3.81Å; I165-Y186 HydrophobicContact CB-CE1 4Å; I165-Y186 HydrophobicContact CB-CG 4.37Å; I165-Y186 HydrophobicContact CG2-CD1 3.69Å; I165-Y186 HydrophobicContact CG2-CE1 3.59Å; Y186-Q199 WeakPolarHBondContact O-CG 3.41Å; Y186-Q199 PolarHBondContact O-OE1 3.42Å; Y186-V439 HydrophobicContact CD1-CB 4.39Å; Y186-V439 HydrophobicContact CD1-CG2 3.58Å; Y186-V439 HydrophobicContact CE1-CG2 4.2Å; Y186-V439 HydrophobicContact CG-CG2 4.3Å |
| 187 | L | 98.6 | Very high | 97.2 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | trans | -73.5 | 146.1 | 170.5 | -62.9 | 176.3 | 0 | 0 | 0 | 110.3 | P164 I165 Y185 E189 W193 L195 T225 | P164-L187 HydrophobicContact CB-CD1 4.06Å; P164-L187 HydrophobicContact CB-CD2 4.22Å; P164-L187 HydrophobicContact CB-CG 4.05Å; I165-L187 PolarHBondContact O-N 3.21Å; Y185-L187 HydrophobicContact CE2-CD2 3.89Å; L187-E189 PolarHBondContact O-N 3.04Å; L187-W193 HydrophobicContact CB-CB 4.49Å; L187-W193 HydrophobicContact CB-CE3 3.78Å; L187-W193 HydrophobicContact CB-CZ3 4.47Å; L187-L195 HydrophobicContact CD2-CD1 4.39Å; L187-L195 HydrophobicContact CD2-CD2 4.28Å; L187-L195 HydrophobicContact CD2-CG 3.77Å; L187-T225 HydrophobicContact CD1-CG2 4.38Å | ||
| 188 | D | 98 | Very high | 97.3 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 33% | 0.326 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -84 | 94.3 | -178.5 | -174.4 | -5.1 | 0 | 0 | 0 | 111.2 | S190 N191 W193 D194 | D188-S190 PolarHBondContact O-N 2.94Å; D188-S190 WeakPolarHBondContact OD1-CB 3.25Å; D188-S190 PolarHBondContact OD1-N 3.36Å; D188-S190 PolarHBondContact OD1-OG 3.47Å; D188-N191 HydrophobicContact CB-CB 4.23Å; D188-N191 CarbonylContact O-C 3.44Å; D188-N191 PolarHBondContact O-N 3.22Å; D188-N191 VanDerWaalsContact O-N 3.15Å; D188-N191 PolarHBondContact OD1-N 2.86Å; D188-N191 WeakPolarHBondContact OD2-CB 3.47Å; D188-W193 WeakPolarHBondContact O-CA 3.39Å; D188-W193 PolarHBondContact O-N 3.2Å; D188-D194 PolarHBondContact N-O 2.76Å |
| 189 | E | 98.2 | Very high | 97.4 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -52.8 | -38.3 | 175.6 | -173.5 | 176.6 | -171.7 | 0 | 0 | 112.8 | L187 N191 G192 W193 N385 R396 H444 | L187-E189 PolarHBondContact O-N 3.04Å; E189-N191 PolarHBondContact O-N 3.47Å; E189-G192 PolarHBondContact O-N 2.94Å; E189-W193 HydrophobicContact CB-CD2 4.21Å; E189-W193 HydrophobicContact CB-CE3 3.84Å; E189-W193 HydrophobicContact CB-CH2 3.54Å; E189-W193 HydrophobicContact CB-CZ2 3.91Å; E189-W193 HydrophobicContact CB-CZ3 3.51Å; E189-W193 HydrophobicContact CG-CD2 4.36Å; E189-W193 HydrophobicContact CG-CE3 4.41Å; E189-W193 HydrophobicContact CG-CH2 3.56Å; E189-W193 HydrophobicContact CG-CZ2 3.46Å; E189-W193 VanDerWaalsContact CG-CZ2 3.46Å; E189-W193 HydrophobicContact CG-CZ3 4.05Å; E189-N385 PolarHBondContact O-ND2 3Å; E189-R396 WeakPolarHBondContact OE1-CB 3.3Å; E189-R396 VanDerWaalsContact OE1-CD 3.28Å; E189-R396 WeakPolarHBondContact OE1-CD 3.36Å; E189-R396 IonicContact OE2-NH1 2.71Å; E189-H444 IonicContact OE1-NE2 3.13Å; E189-H444 PolarHBondContact OE1-NE2 2.69Å; E189-H444 IonicContact OE2-NE2 3.52Å |
| 190 | S | 96.8 | Very high | 97.6 | Very high | 111 Ų | 111 | 42 Ų | 42 | 78% | 0.776 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -73.2 | -20.7 | -175.3 | 72.4 | 0 | 0 | 0 | 0 | 113.1 | D188 | D188-S190 PolarHBondContact O-N 2.94Å; D188-S190 WeakPolarHBondContact OD1-CB 3.25Å; D188-S190 PolarHBondContact OD1-N 3.36Å; D188-S190 PolarHBondContact OD1-OG 3.47Å |
| 191 | N | 96.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 43.2 Ų | 43.2 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -112.3 | 42.3 | 176.4 | -167.9 | 38.1 | 0 | 0 | 0 | 111.4 | D188 E189 W193 D194 | D188-N191 HydrophobicContact CB-CB 4.23Å; D188-N191 CarbonylContact O-C 3.44Å; D188-N191 PolarHBondContact O-N 3.22Å; D188-N191 VanDerWaalsContact O-N 3.15Å; D188-N191 PolarHBondContact OD1-N 2.86Å; D188-N191 WeakPolarHBondContact OD2-CB 3.47Å; E189-N191 PolarHBondContact O-N 3.47Å; N191-W193 PolarHBondContact O-N 3.46Å; N191-D194 WeakPolarHBondContact O-CB 3.32Å; N191-D194 PolarHBondContact O-N 3.49Å |
| 192 | G | 96.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 32% | 0.32 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 27.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E189 D194 Q227 | E189-G192 PolarHBondContact O-N 2.94Å; G192-D194 VanDerWaalsContact C-N 3.33Å; G192-Q227 VanDerWaalsContact O-CB 3.27Å; G192-Q227 WeakPolarHBondContact O-CB 3.42Å |
| 193 | W | 97.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 29.1 | -175.1 | -59.1 | 115.4 | 0 | 0 | 0 | 114.8 | P166 L187 D188 E189 N191 T225 Q227 N385 F394 H444 | P166-W193 HydrophobicContact CG-CH2 4.12Å; P166-W193 HydrophobicContact CG-CZ3 4.08Å; L187-W193 HydrophobicContact CB-CB 4.49Å; L187-W193 HydrophobicContact CB-CE3 3.78Å; L187-W193 HydrophobicContact CB-CZ3 4.47Å; D188-W193 WeakPolarHBondContact O-CA 3.39Å; D188-W193 PolarHBondContact O-N 3.2Å; E189-W193 HydrophobicContact CB-CD2 4.21Å; E189-W193 HydrophobicContact CB-CE3 3.84Å; E189-W193 HydrophobicContact CB-CH2 3.54Å; E189-W193 HydrophobicContact CB-CZ2 3.91Å; E189-W193 HydrophobicContact CB-CZ3 3.51Å; E189-W193 HydrophobicContact CG-CD2 4.36Å; E189-W193 HydrophobicContact CG-CE3 4.41Å; E189-W193 HydrophobicContact CG-CH2 3.56Å; E189-W193 HydrophobicContact CG-CZ2 3.46Å; E189-W193 VanDerWaalsContact CG-CZ2 3.46Å; E189-W193 HydrophobicContact CG-CZ3 4.05Å; N191-W193 PolarHBondContact O-N 3.46Å; W193-T225 HydrophobicContact CB-CG2 4.13Å; W193-T225 HydrophobicContact CD2-CG2 3.48Å; W193-T225 VanDerWaalsContact CD2-CG2 3.48Å; W193-T225 HydrophobicContact CE3-CG2 3.96Å; W193-T225 HydrophobicContact CG-CG2 3.58Å; W193-T225 HydrophobicContact CZ2-CG2 4.3Å; W193-Q227 HydrophobicContact CB-CB 4.13Å; W193-Q227 HydrophobicContact CB-CG 4.01Å; W193-Q227 WeakPolarHBondContact O-CG 3.46Å; W193-Q227 PolarHBondContact O-NE2 2.91Å; W193-N385 VanDerWaalsContact CD1-ND2 3.28Å; W193-N385 PolarHBondContact NE1-ND2 3.41Å; W193-N385 VanDerWaalsContact NE1-ND2 3.15Å; W193-F394 HydrophobicContact CH2-CD1 4.36Å; W193-F394 AromaticContact CZ2-CD1 3.97Å; W193-F394 HydrophobicContact CZ2-CD1 3.97Å; W193-H444 AromaticContact CH2-NE2 3.73Å; W193-H444 AromaticContact CZ2-NE2 3.85Å |
| 194 | D | 97 | Very high | 97.7 | Very high | 35 Ų | 35 | 44 Ų | 44 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -70.1 | 167.6 | 176.8 | -154.6 | -1.5 | 0 | 0 | 0 | 112.6 | D188 N191 G192 T233 | D188-D194 PolarHBondContact N-O 2.76Å; N191-D194 WeakPolarHBondContact O-CB 3.32Å; N191-D194 PolarHBondContact O-N 3.49Å; G192-D194 VanDerWaalsContact C-N 3.33Å; D194-T233 WeakPolarHBondContact OD1-CB 3.28Å; D194-T233 WeakPolarHBondContact OD1-CG2 3.49Å; D194-T233 PolarHBondContact OD1-OG1 2.67Å; D194-T233 PolarHBondContact OD2-OG1 3.39Å |
| 195 | L | 96.7 | Very high | 97.6 | Very high | 18 Ų | 18 | 44.9 Ų | 44.9 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -95.2 | 132 | 173.8 | -77.9 | 122.1 | 0 | 0 | 0 | 111.5 | Y185 L187 L200 V218 L229 T233 V237 | Y185-L195 HydrophobicContact CD2-CD2 4.05Å; Y185-L195 HydrophobicContact CE2-CD2 3.23Å; Y185-L195 HydrophobicContact CE2-CG 4.22Å; L187-L195 HydrophobicContact CD2-CD1 4.39Å; L187-L195 HydrophobicContact CD2-CD2 4.28Å; L187-L195 HydrophobicContact CD2-CG 3.77Å; L195-L200 HydrophobicContact CD2-CD1 4.35Å; L195-L200 HydrophobicContact CD2-CD2 4.27Å; L195-V218 HydrophobicContact CD1-CG1 3.94Å; L195-L229 HydrophobicContact CD1-CD1 3.31Å; L195-L229 HydrophobicContact CD1-CD2 3.71Å; L195-L229 HydrophobicContact CD1-CG 4.14Å; L195-T233 HydrophobicContact CB-CG2 3.73Å; L195-T233 HydrophobicContact CD1-CG2 4.22Å; L195-V237 HydrophobicContact CB-CG2 4.16Å; L195-V237 HydrophobicContact CD1-CG2 4.39Å; L195-V237 HydrophobicContact CD2-CG2 4.25Å |
| 196 | S | 95.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 51 Ų | 51 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 133.7 | 169.6 | 156.1 | 0 | 0 | 0 | 0 | 110.8 | E198 Q199 L200 | S196-E198 VanDerWaalsContact C-N 3.34Å; S196-E198 PolarHBondContact OG-N 3.49Å; S196-E198 PolarHBondContact OG-OE2 3.2Å; S196-Q199 PolarHBondContact O-N 2.88Å; S196-Q199 PolarHBondContact OG-N 3.11Å; S196-Q199 VanDerWaalsContact OG-N 3.11Å; S196-L200 WeakPolarHBondContact O-CG 3.14Å; S196-L200 PolarHBondContact O-N 3.21Å; S196-L200 VanDerWaalsContact O-N 3.14Å |
| 197 | I | 98.2 | Very high | 97.4 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.1 | -35.6 | 175.5 | -56.8 | -52.2 | 0 | 0 | 0 | 110.9 | Q199 L200 E201 N236 V237 F240 | I197-Q199 VanDerWaalsContact C-N 3.26Å; I197-Q199 PolarHBondContact O-N 2.98Å; I197-L200 HydrophobicContact CD1-CD1 4.02Å; I197-L200 PolarHBondContact O-N 3Å; I197-E201 HydrophobicContact CG2-CG 4.36Å; I197-E201 WeakPolarHBondContact O-CG 3.22Å; I197-E201 PolarHBondContact O-N 3.39Å; I197-N236 HydrophobicContact CD1-CB 3.79Å; I197-N236 HydrophobicContact CG1-CB 3.83Å; I197-V237 HydrophobicContact CD1-CG2 4.13Å; I197-F240 HydrophobicContact CD1-CB 4.25Å; I197-F240 HydrophobicContact CG2-CB 4.41Å; I197-F240 HydrophobicContact CG2-CD2 4.03Å |
| 198 | E | 98.1 | Very high | 96.9 | Very high | 141 Ų | 141 | 53.9 Ų | 53.9 | 66% | 0.659 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.5 | -43.4 | 175.1 | -59.6 | 70.9 | -154.7 | 0 | 0 | 110.5 | S196 E201 E202 | S196-E198 VanDerWaalsContact C-N 3.34Å; S196-E198 PolarHBondContact OG-N 3.49Å; S196-E198 PolarHBondContact OG-OE2 3.2Å; E198-E201 PolarHBondContact O-N 3.12Å; E198-E202 WeakPolarHBondContact O-CB 3.25Å; E198-E202 PolarHBondContact O-N 3.35Å |
| 199 | Q | 97.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 58 Ų | 58 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 176.9 | -166.8 | -67.5 | -43.5 | 0 | 0 | 111.3 | Y185 Y186 S196 I197 E202 A203 | Y185-Q199 VanDerWaalsContact CA-NE2 3.26Å; Y186-Q199 WeakPolarHBondContact O-CG 3.41Å; Y186-Q199 PolarHBondContact O-OE1 3.42Å; S196-Q199 PolarHBondContact O-N 2.88Å; S196-Q199 PolarHBondContact OG-N 3.11Å; S196-Q199 VanDerWaalsContact OG-N 3.11Å; I197-Q199 VanDerWaalsContact C-N 3.26Å; I197-Q199 PolarHBondContact O-N 2.98Å; Q199-E202 PolarHBondContact O-N 3.03Å; Q199-A203 WeakPolarHBondContact O-CB 3.41Å; Q199-A203 PolarHBondContact O-N 3.31Å |
| 200 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.2 | -67.6 | 176.8 | 0 | 0 | 0 | 112.1 | M162 Y185 L195 S196 I197 A203 L204 L216 V237 F240 | M162-L200 HydrophobicContact CE-CB 4.2Å; M162-L200 HydrophobicContact CE-CD2 3.79Å; M162-L200 WeakPolarHBondContact CE-O 3.31Å; Y185-L200 HydrophobicContact CD1-CD2 3.89Å; Y185-L200 HydrophobicContact CD2-CD2 3.57Å; Y185-L200 HydrophobicContact CE1-CD2 4.3Å; Y185-L200 HydrophobicContact CE2-CD2 4.08Å; Y185-L200 HydrophobicContact CG-CD2 3.49Å; Y185-L200 VanDerWaalsContact CG-CD2 3.49Å; L195-L200 HydrophobicContact CD2-CD1 4.35Å; L195-L200 HydrophobicContact CD2-CD2 4.27Å; S196-L200 WeakPolarHBondContact O-CG 3.14Å; S196-L200 PolarHBondContact O-N 3.21Å; S196-L200 VanDerWaalsContact O-N 3.14Å; I197-L200 HydrophobicContact CD1-CD1 4.02Å; I197-L200 PolarHBondContact O-N 3Å; L200-A203 PolarHBondContact O-N 2.7Å; L200-L204 PolarHBondContact O-N 2.92Å; L200-L204 VanDerWaalsContact O-N 3.09Å; L200-L216 HydrophobicContact CD1-CD2 4.33Å; L200-L216 HydrophobicContact CD2-CD1 4.06Å; L200-V237 HydrophobicContact CD1-CG2 4.24Å; L200-F240 HydrophobicContact CB-CD1 4.26Å; L200-F240 HydrophobicContact CB-CD2 4.17Å; L200-F240 HydrophobicContact CB-CE1 3.81Å; L200-F240 HydrophobicContact CB-CE2 3.69Å; L200-F240 HydrophobicContact CB-CG 4.42Å; L200-F240 HydrophobicContact CB-CZ 3.49Å; L200-F240 VanDerWaalsContact CB-CZ 3.49Å; L200-F240 HydrophobicContact CD1-CD1 3.89Å; L200-F240 HydrophobicContact CD1-CE1 4.12Å; L200-F240 HydrophobicContact CD1-CG 4.19Å; L200-F240 HydrophobicContact CG-CE1 4.45Å |
| 201 | E | 98.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 174.5 | -71.5 | -74.2 | 179.2 | 0 | 0 | 111.2 | I197 E198 A203 L204 N205 F240 K243 H244 | I197-E201 HydrophobicContact CG2-CG 4.36Å; I197-E201 WeakPolarHBondContact O-CG 3.22Å; I197-E201 PolarHBondContact O-N 3.39Å; E198-E201 PolarHBondContact O-N 3.12Å; E201-A203 PolarHBondContact O-N 3.24Å; E201-L204 PolarHBondContact O-N 3.36Å; E201-N205 WeakPolarHBondContact O-CB 3.23Å; E201-N205 VanDerWaalsContact O-CG 3.24Å; E201-N205 PolarHBondContact O-N 3.13Å; E201-N205 PolarHBondContact O-ND2 3.4Å; E201-F240 HydrophobicContact CB-CE2 4.47Å; E201-F240 HydrophobicContact CG-CD2 4.15Å; E201-F240 HydrophobicContact CG-CE2 3.8Å; E201-K243 IonicContact OE1-NZ 3.97Å; E201-K243 PolarHBondContact OE1-NZ 2.85Å; E201-K243 IonicContact OE2-NZ 3.52Å; E201-H244 IonicContact OE1-CD2 3.38Å; E201-H244 IonicContact OE1-CE1 3.7Å; E201-H244 IonicContact OE1-NE2 2.59Å; E201-H244 PolarHBondContact OE1-NE2 3.32Å; E201-H244 IonicContact OE2-CE1 2.65Å; E201-H244 PolarHBondContact OE2-CE1 3.11Å; E201-H244 VanDerWaalsContact OE2-CE1 3.31Å; E201-H244 IonicContact OE2-NE2 3.44Å; E201-H244 PolarHBondContact OE2-NE2 3.01Å |
| 202 | E | 98.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.6 | -173.4 | -176 | 177.6 | 0 | 0 | 111.7 | E198 Q199 L204 N205 K206 | E198-E202 WeakPolarHBondContact O-CB 3.25Å; E198-E202 PolarHBondContact O-N 3.35Å; Q199-E202 PolarHBondContact O-N 3.03Å; E202-L204 PolarHBondContact O-N 2.9Å; E202-N205 PolarHBondContact O-N 3.11Å; E202-K206 HydrophobicContact CG-CD 4.27Å; E202-K206 WeakPolarHBondContact O-CG 3.35Å; E202-K206 PolarHBondContact O-N 3.16Å; E202-K206 WeakPolarHBondContact OE1-CE 3.38Å; E202-K206 IonicContact OE1-NZ 3.2Å; E202-K206 PolarHBondContact OE1-NZ 2.89Å |
| 203 | A | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M162 I183 D184 Q199 L200 E201 C207 | M162-A203 HydrophobicContact CE-CB 4.09Å; I183-A203 HydrophobicContact CG2-CB 4.04Å; D184-A203 WeakPolarHBondContact O-CB 3.13Å; Q199-A203 WeakPolarHBondContact O-CB 3.41Å; Q199-A203 PolarHBondContact O-N 3.31Å; L200-A203 PolarHBondContact O-N 2.7Å; E201-A203 PolarHBondContact O-N 3.24Å; A203-C207 PolarHBondContact O-SG 3.33Å |
| 204 | L | 97.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 174.7 | -79.3 | -174.6 | 0 | 0 | 0 | 112 | M162 I183 L200 E201 E202 K206 C207 K208 P213 F240 H244 L246 | M162-L204 HydrophobicContact CE-CD2 4.1Å; M162-L204 HydrophobicContact CE-CG 3.8Å; M162-L204 HydrophobicContact CG-CD2 4.01Å; M162-L204 HydrophobicContact SD-CD1 4.17Å; M162-L204 HydrophobicContact SD-CD2 3.43Å; M162-L204 WeakPolarHBondContact SD-CD2 3.24Å; M162-L204 HydrophobicContact SD-CG 3.63Å; I183-L204 HydrophobicContact CD1-CD2 4.07Å; L200-L204 PolarHBondContact O-N 2.92Å; L200-L204 VanDerWaalsContact O-N 3.09Å; E201-L204 PolarHBondContact O-N 3.36Å; E202-L204 PolarHBondContact O-N 2.9Å; L204-K206 VanDerWaalsContact C-N 3.28Å; L204-K206 PolarHBondContact O-N 3.41Å; L204-C207 PolarHBondContact O-N 3.42Å; L204-K208 PolarHBondContact O-N 3.39Å; L204-P213 HydrophobicContact CD2-CB 3.69Å; L204-P213 HydrophobicContact CD2-CG 3.79Å; L204-F240 HydrophobicContact CD1-CE1 4.06Å; L204-F240 HydrophobicContact CD1-CE2 4.07Å; L204-F240 HydrophobicContact CD1-CZ 3.32Å; L204-F240 HydrophobicContact CG-CZ 3.94Å; L204-H244 HydrophobicContact CD1-CB 3.92Å; L204-L246 HydrophobicContact CD1-CD1 4.28Å |
| 205 | N | 97.3 | Very high | 96.9 | Very high | 81 Ų | 81 | 59 Ų | 59 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -38.4 | -177.4 | -76.6 | -43.9 | 0 | 0 | 0 | 112.4 | E201 E202 C207 K208 | E201-N205 WeakPolarHBondContact O-CB 3.23Å; E201-N205 VanDerWaalsContact O-CG 3.24Å; E201-N205 PolarHBondContact O-N 3.13Å; E201-N205 PolarHBondContact O-ND2 3.4Å; E202-N205 PolarHBondContact O-N 3.11Å; N205-C207 PolarHBondContact O-N 2.89Å; N205-K208 WeakPolarHBondContact OD1-CE 3.46Å; N205-K208 PolarHBondContact OD1-NZ 3.02Å |
| 206 | K | 96.6 | Very high | 97 | Very high | 132 Ų | 132 | 58.2 Ų | 58.2 | 57% | 0.574 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -13.4 | 176.7 | -73.9 | 178 | -178.7 | 171.8 | 0 | 114.5 | E202 L204 | E202-K206 HydrophobicContact CG-CD 4.27Å; E202-K206 WeakPolarHBondContact O-CG 3.35Å; E202-K206 PolarHBondContact O-N 3.16Å; E202-K206 WeakPolarHBondContact OE1-CE 3.38Å; E202-K206 IonicContact OE1-NZ 3.2Å; E202-K206 PolarHBondContact OE1-NZ 2.89Å; L204-K206 VanDerWaalsContact C-N 3.28Å; L204-K206 PolarHBondContact O-N 3.41Å |
| 207 | C | 94.9 | Very high | 97.2 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 4.3 | -170.9 | -58.7 | 0 | 0 | 0 | 0 | 114.4 | Y181 I183 A203 L204 N205 D209 K210 | Y181-C207 HydrophobicContact CE1-CB 4Å; I183-C207 HydrophobicContact CD1-CB 4.3Å; I183-C207 HydrophobicContact CG1-CB 4.07Å; I183-C207 HydrophobicContact CG2-CB 4.33Å; A203-C207 PolarHBondContact O-SG 3.33Å; L204-C207 PolarHBondContact O-N 3.42Å; N205-C207 PolarHBondContact O-N 2.89Å; C207-D209 VanDerWaalsContact C-N 3.26Å; C207-D209 PolarHBondContact O-N 3.35Å; C207-D209 VanDerWaalsContact O-N 3.16Å; C207-K210 PolarHBondContact O-N 2.88Å |
| 208 | K | 88.7 | Confident | 97.2 | Very high | 134 Ų | 134 | 54.8 Ų | 54.8 | 58% | 0.583 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -39.1 | -176.7 | -76.5 | -177.9 | 176.5 | 170 | 0 | 114.3 | L204 N205 | L204-K208 PolarHBondContact O-N 3.39Å; N205-K208 WeakPolarHBondContact OD1-CE 3.46Å; N205-K208 PolarHBondContact OD1-NZ 3.02Å |
| 209 | D | 94.8 | Very high | 97.2 | Very high | 148 Ų | 148 | 48.5 Ų | 48.5 | 79% | 0.791 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.1 | -176.6 | -53.6 | -41.6 | 0 | 0 | 0 | 113.5 | S156 C207 | S156-D209 VanDerWaalsContact CB-O 3.27Å; S156-D209 WeakPolarHBondContact CB-O 3.43Å; C207-D209 VanDerWaalsContact C-N 3.26Å; C207-D209 PolarHBondContact O-N 3.35Å; C207-D209 VanDerWaalsContact O-N 3.16Å |
| 210 | K | 96.5 | Very high | 97.3 | Very high | 100 Ų | 100 | 47.2 Ų | 47.2 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -19.4 | -171 | -61.3 | -174.3 | -178.7 | 174.2 | 0 | 114.3 | Y181 C207 | Y181-K210 HydrophobicContact CD1-CB 4.48Å; Y181-K210 HydrophobicContact CE1-CB 4.14Å; Y181-K210 HydrophobicContact CE1-CD 4.23Å; Y181-K210 HydrophobicContact CE2-CB 4.28Å; Y181-K210 HydrophobicContact CE2-CD 4.22Å; Y181-K210 WeakPolarHBondContact OH-CD 3.4Å; C207-K210 PolarHBondContact O-N 2.88Å |
| 211 | C | 97.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | trans | -168 | 172.6 | -174.5 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | S156 R158 Y181 P213 | S156-C211 CarbonylContact O-C 3.23Å; S156-C211 VanDerWaalsContact O-C 3.23Å; S156-C211 WeakPolarHBondContact O-CA 3.37Å; S156-C211 PolarHBondContact O-N 3.31Å; R158-C211 HydrophobicContact CG-CB 4.33Å; R158-C211 WeakPolarHBondContact O-CA 3.29Å; R158-C211 WeakPolarHBondContact O-CB 3.41Å; Y181-C211 HydrophobicContact CD1-CB 3.92Å; Y181-C211 WeakPolarHBondContact CD1-SG 3.43Å; Y181-C211 HydrophobicContact CG-CB 3.91Å; C211-P213 WeakPolarHBondContact O-CD 3.49Å | ||
| 212 | I | 97.6 | Very high | 97.2 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 38% | 0.379 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 106.9 | 165.9 | -58.7 | 174.4 | 0 | 0 | 0 | 107.1 | R157 R158 S159 G160 R214 | R157-I212 HydrophobicContact CB-CD1 4.48Å; R158-I212 PolarHBondContact O-N 2.86Å; S159-I212 CarbonylContact C-O 3.55Å; G160-I212 PolarHBondContact N-O 3.02Å; I212-R214 HydrophobicContact CG2-CG 4.39Å; I212-R214 WeakPolarHBondContact O-CG 3.14Å; I212-R214 PolarHBondContact O-N 3.3Å |
| 213 | P | 97.8 | Very high | 97.2 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 130.3 | 175 | -23.3 | 34.4 | 0 | 0 | 0 | 111.1 | I183 L204 C211 L246 | I183-P213 HydrophobicContact CD1-CB 4.06Å; I183-P213 HydrophobicContact CD1-CG 3.98Å; L204-P213 HydrophobicContact CD2-CB 3.69Å; L204-P213 HydrophobicContact CD2-CG 3.79Å; C211-P213 WeakPolarHBondContact O-CD 3.49Å; P213-L246 HydrophobicContact CB-CD2 3.78Å |
| 214 | R | 98.1 | Very high | 97.2 | Very high | 111 Ų | 111 | 41 Ų | 41 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | -27.4 | -175.8 | -67 | -70.6 | -73.3 | -169.9 | -1.1 | 113.4 | I149 G160 I212 V247 | I149-R214 HydrophobicContact CB-CB 4.5Å; G160-R214 PolarHBondContact O-N 3.44Å; I212-R214 HydrophobicContact CG2-CG 4.39Å; I212-R214 WeakPolarHBondContact O-CG 3.14Å; I212-R214 PolarHBondContact O-N 3.3Å; R214-V247 PolarHBondContact O-N 2.85Å |
| 215 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 152.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I149 G160 V161 M162 V247 L249 | I149-A215 HydrophobicContact CD1-CB 3.36Å; G160-A215 PolarHBondContact O-N 2.84Å; V161-A215 HydrophobicContact CG1-CB 4.37Å; M162-A215 PolarHBondContact N-O 3.19Å; A215-V247 CarbonylContact C-O 3.56Å; A215-V247 WeakPolarHBondContact CA-O 3.45Å; A215-V247 HydrophobicContact CB-CB 4.42Å; A215-L249 HydrophobicContact CB-CD1 3.91Å |
| 216 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 114.7 | 168.8 | 174.5 | 60.5 | 0 | 0 | 0 | 109.5 | M162 Y185 L200 V218 V237 F240 L246 V247 V248 L249 | M162-L216 HydrophobicContact CB-CB 4.45Å; M162-L216 HydrophobicContact CB-CD1 3.58Å; M162-L216 HydrophobicContact CE-CD1 4.46Å; M162-L216 HydrophobicContact CG-CD1 4.46Å; M162-L216 HydrophobicContact SD-CD1 4.14Å; Y185-L216 HydrophobicContact CD1-CD1 3.97Å; Y185-L216 HydrophobicContact CE1-CD1 3.5Å; Y185-L216 VanDerWaalsContact CE1-CD1 3.5Å; L200-L216 HydrophobicContact CD1-CD2 4.33Å; L200-L216 HydrophobicContact CD2-CD1 4.06Å; L216-V218 HydrophobicContact CD2-CG2 4.37Å; L216-V218 HydrophobicContact CG-CG2 4.03Å; L216-V237 HydrophobicContact CD2-CG1 3.64Å; L216-F240 HydrophobicContact CD2-CD1 4.01Å; L216-F240 HydrophobicContact CD2-CE1 4.23Å; L216-L246 HydrophobicContact CB-CD1 4.21Å; L216-V247 PolarHBondContact N-O 3.35Å; L216-V248 WeakPolarHBondContact O-CA 3.34Å; L216-L249 PolarHBondContact O-N 3.35Å |
| 217 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 131 | 172.4 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | V161 M162 V163 Y171 Y185 I219 L249 | V161-V217 HydrophobicContact CG1-CG2 3.79Å; M162-V217 WeakPolarHBondContact O-CB 3.32Å; M162-V217 PolarHBondContact O-N 2.89Å; V163-V217 HydrophobicContact CG2-CG2 4.35Å; Y171-V217 HydrophobicContact CD1-CB 4.26Å; Y171-V217 HydrophobicContact CD1-CG1 3.7Å; Y171-V217 HydrophobicContact CD1-CG2 3.59Å; Y171-V217 HydrophobicContact CD2-CG1 3.97Å; Y171-V217 HydrophobicContact CE1-CB 4.25Å; Y171-V217 HydrophobicContact CE1-CG1 3.41Å; Y171-V217 VanDerWaalsContact CE1-CG1 3.41Å; Y171-V217 HydrophobicContact CE1-CG2 3.76Å; Y171-V217 HydrophobicContact CE2-CG1 3.72Å; Y171-V217 HydrophobicContact CG-CG1 3.98Å; Y171-V217 HydrophobicContact CG-CG2 4.34Å; Y171-V217 VanDerWaalsContact CZ-CG1 3.44Å; Y185-V217 WeakPolarHBondContact CE1-O 3.25Å; Y185-V217 PolarHBondContact OH-O 3.14Å; V217-I219 HydrophobicContact CG1-CG1 4.18Å; V217-L249 WeakPolarHBondContact CA-O 3.45Å; V217-L249 HydrophobicContact CG2-CB 4.08Å; V217-L249 HydrophobicContact CG2-CD2 4.12Å |
| 218 | V | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.6 | 170.6 | -167.9 | 0 | 0 | 0 | 0 | 109.1 | L195 L216 L229 V237 L249 D251 F268 | L195-V218 HydrophobicContact CD1-CG1 3.94Å; L216-V218 HydrophobicContact CD2-CG2 4.37Å; L216-V218 HydrophobicContact CG-CG2 4.03Å; V218-L229 HydrophobicContact CG1-CD1 3.68Å; V218-V237 HydrophobicContact CG2-CG1 3.83Å; V218-L249 PolarHBondContact N-O 3.17Å; V218-D251 PolarHBondContact O-N 3.38Å; V218-F268 HydrophobicContact CB-CE1 4.28Å; V218-F268 HydrophobicContact CB-CE2 4.33Å; V218-F268 HydrophobicContact CB-CZ 3.74Å; V218-F268 HydrophobicContact CG1-CE1 4.47Å; V218-F268 HydrophobicContact CG1-CE2 4.12Å; V218-F268 HydrophobicContact CG1-CZ 3.56Å; V218-F268 HydrophobicContact CG2-CE1 4.16Å; V218-F268 HydrophobicContact CG2-CZ 4.05Å |
| 219 | I | 98.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 5% | 0.046 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 110.4 | -178.7 | -48.9 | 174.9 | 0 | 0 | 0 | 108.2 | P164 Y171 V217 G222 N223 D251 | P164-I219 HydrophobicContact CG-CD1 3.91Å; P164-I219 HydrophobicContact CG-CG1 4.13Å; Y171-I219 HydrophobicContact CD2-CD1 4.13Å; Y171-I219 HydrophobicContact CE2-CD1 3.83Å; Y171-I219 HydrophobicContact CE2-CG1 4.09Å; V217-I219 HydrophobicContact CG1-CG1 4.18Å; I219-G222 WeakPolarHBondContact O-CA 3.38Å; I219-N223 HydrophobicContact CG2-CB 4.47Å; I219-D251 HydrophobicContact CB-CB 4.41Å; I219-D251 HydrophobicContact CG1-CB 4.22Å; I219-D251 HydrophobicContact CG2-CB 4.29Å |
| 220 | N | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -145.5 | 116.7 | -174.3 | -176.4 | 45.5 | 0 | 0 | 0 | 112.2 | L229 D251 E252 F268 | N220-L229 HydrophobicContact CB-CD1 4.02Å; N220-L229 HydrophobicContact CB-CG 4.24Å; N220-L229 PolarHBondContact OD1-N 3.49Å; N220-D251 PolarHBondContact N-O 3.15Å; N220-E252 WeakPolarHBondContact O-CA 3.47Å; N220-F268 HydrophobicContact CB-CE2 4.21Å |
| 221 | P | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | cis | -59.5 | 147.2 | -7.5 | -24.5 | 33.4 | 0 | 0 | 0 | 113.9 | Q227 L228 Y254 I258 A390 | P221-Q227 CarbonylContact C-O 3.54Å; P221-Q227 VanDerWaalsContact CA-O 3.31Å; P221-Q227 WeakPolarHBondContact CA-O 3.35Å; P221-L228 HydrophobicContact CG-CD1 4.11Å; P221-Y254 WeakPolarHBondContact CG-O 3.43Å; P221-I258 HydrophobicContact CG-CD1 3.5Å; P221-I258 VanDerWaalsContact CG-CD1 3.5Å; P221-A390 HydrophobicContact CB-CB 4.14Å |
| 222 | G | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | trans | -75.4 | 149.1 | -169 | 0 | 0 | 0 | 0 | 0 | 115.5 | I219 G226 Q227 A390 | I219-G222 WeakPolarHBondContact O-CA 3.38Å; G222-G226 WeakPolarHBondContact O-CA 3.34Å; G222-G226 PolarHBondContact O-N 3.4Å; G222-Q227 VanDerWaalsContact CA-OE1 3.32Å; G222-Q227 PolarHBondContact N-O 2.73Å; G222-A390 WeakPolarHBondContact O-CB 3.33Å | ||
| 223 | N | 97.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | 119.7 | 171.4 | 168.9 | 15.8 | 0 | 0 | 0 | 107.6 | Q167 Y168 I219 Y254 Y392 R446 | Q167-N223 CarbonylContact C-O 3.2Å; Y168-N223 WeakPolarHBondContact CD2-ND2 3.37Å; Y168-N223 PolarHBondContact N-O 3.36Å; I219-N223 HydrophobicContact CG2-CB 4.47Å; N223-Y254 HydrophobicContact CB-CE2 3.91Å; N223-Y392 HydrophobicContact CB-CD2 3.98Å; N223-Y392 HydrophobicContact CB-CE2 3.95Å; N223-Y392 WeakPolarHBondContact OD1-CD2 3.48Å; N223-Y392 VanDerWaalsContact OD1-CE2 3.31Å; N223-Y392 WeakPolarHBondContact OD1-CE2 3.2Å; N223-R446 PolarHBondContact OD1-NH1 3.47Å; N223-R446 VanDerWaalsContact OD1-NH1 3.08Å |
| 224 | P | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.3 | -1.8 | 18.9 | 38.2 | -40.5 | 0 | 0 | 0 | 116.2 | P166 Y392 F394 F436 R446 | P166-P224 HydrophobicContact CB-CG 3.59Å; P166-P224 HydrophobicContact CG-CG 4.41Å; P224-Y392 VanDerWaalsContact O-CB 3.32Å; P224-Y392 WeakPolarHBondContact O-CB 3.3Å; P224-F394 HydrophobicContact CB-CB 4.45Å; P224-F394 HydrophobicContact CB-CD2 3.58Å; P224-F394 HydrophobicContact CB-CE2 3.97Å; P224-F394 HydrophobicContact CB-CG 4.14Å; P224-F394 HydrophobicContact CG-CB 4.49Å; P224-F394 HydrophobicContact CG-CD1 4.28Å; P224-F394 HydrophobicContact CG-CD2 3.58Å; P224-F394 HydrophobicContact CG-CE1 4.36Å; P224-F394 HydrophobicContact CG-CE2 3.68Å; P224-F394 HydrophobicContact CG-CG 3.88Å; P224-F394 HydrophobicContact CG-CZ 4.06Å; P224-F436 HydrophobicContact CB-CD1 3.99Å; P224-F436 HydrophobicContact CB-CE1 4.1Å; P224-F436 HydrophobicContact CB-CG 4.34Å; P224-F436 HydrophobicContact CG-CB 4.12Å; P224-F436 HydrophobicContact CG-CD1 3.91Å; P224-F436 HydrophobicContact CG-CG 3.96Å; P224-R446 HydrophobicContact CB-CB 4.04Å; P224-R446 VanDerWaalsContact CB-CD 3.47Å; P224-R446 HydrophobicContact CB-CG 3.68Å |
| 225 | T | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 3% | 0.025 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -18.7 | -160.5 | 38.4 | 0 | 0 | 0 | 0 | 115.6 | P166 L187 W193 Q227 F394 | P166-T225 HydrophobicContact CB-CG2 4.4Å; P166-T225 HydrophobicContact CG-CG2 3.88Å; L187-T225 HydrophobicContact CD1-CG2 4.38Å; W193-T225 HydrophobicContact CB-CG2 4.13Å; W193-T225 HydrophobicContact CD2-CG2 3.48Å; W193-T225 VanDerWaalsContact CD2-CG2 3.48Å; W193-T225 HydrophobicContact CE3-CG2 3.96Å; W193-T225 HydrophobicContact CG-CG2 3.58Å; W193-T225 HydrophobicContact CZ2-CG2 4.3Å; T225-Q227 PolarHBondContact O-N 3.24Å; T225-Q227 VanDerWaalsContact OG1-CD 3.27Å; T225-Q227 PolarHBondContact OG1-NE2 3.38Å; T225-Q227 PolarHBondContact OG1-OE1 3.4Å; T225-F394 HydrophobicContact CG2-CB 4.4Å; T225-F394 HydrophobicContact CG2-CD1 4.4Å |
| 226 | G | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | 71.1 | 12.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | G222 T388 G389 | G222-G226 WeakPolarHBondContact O-CA 3.34Å; G222-G226 PolarHBondContact O-N 3.4Å; G226-T388 PolarHBondContact O-N 3.11Å; G226-T388 PolarHBondContact O-OG1 3.39Å; G226-G389 PolarHBondContact O-N 2.69Å | ||
| 227 | Q | 97.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | trans | -82.6 | 148.6 | 178.2 | 84.6 | -74.1 | 25.5 | 0 | 0 | 112.5 | G192 W193 P221 G222 T225 L229 T388 | G192-Q227 VanDerWaalsContact O-CB 3.27Å; G192-Q227 WeakPolarHBondContact O-CB 3.42Å; W193-Q227 HydrophobicContact CB-CB 4.13Å; W193-Q227 HydrophobicContact CB-CG 4.01Å; W193-Q227 WeakPolarHBondContact O-CG 3.46Å; W193-Q227 PolarHBondContact O-NE2 2.91Å; P221-Q227 CarbonylContact C-O 3.54Å; P221-Q227 VanDerWaalsContact CA-O 3.31Å; P221-Q227 WeakPolarHBondContact CA-O 3.35Å; G222-Q227 VanDerWaalsContact CA-OE1 3.32Å; G222-Q227 PolarHBondContact N-O 2.73Å; T225-Q227 PolarHBondContact O-N 3.24Å; T225-Q227 VanDerWaalsContact OG1-CD 3.27Å; T225-Q227 PolarHBondContact OG1-NE2 3.38Å; T225-Q227 PolarHBondContact OG1-OE1 3.4Å; Q227-L229 HydrophobicContact CG-CD2 4.11Å; Q227-T388 WeakPolarHBondContact CA-OG1 3.41Å | ||
| 228 | L | 97.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 19.8 Ų | 19.8 | 12% | 0.12 | 11% | 0.107 | C | C | . | . | trans | -106.9 | 123.5 | 166.9 | 177.2 | 65.6 | 0 | 0 | 0 | 108.8 | P221 I258 A260 T388 | P221-L228 HydrophobicContact CG-CD1 4.11Å; L228-I258 HydrophobicContact CD1-CD1 3.87Å; L228-I258 HydrophobicContact CD2-CD1 4.24Å; L228-I258 HydrophobicContact CD2-CG2 3.9Å; L228-A260 HydrophobicContact CD2-CB 4.37Å; L228-T388 PolarHBondContact N-OG1 2.86Å | ||
| 229 | L | 96.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 5% | 0.047 | 13% | 0.126 | C | C | . | . | trans | -74.5 | 143.5 | 179.6 | -58.9 | -179.1 | 0 | 0 | 0 | 111.9 | L195 V218 N220 Q227 T233 I234 | L195-L229 HydrophobicContact CD1-CD1 3.31Å; L195-L229 HydrophobicContact CD1-CD2 3.71Å; L195-L229 HydrophobicContact CD1-CG 4.14Å; V218-L229 HydrophobicContact CG1-CD1 3.68Å; N220-L229 HydrophobicContact CB-CD1 4.02Å; N220-L229 HydrophobicContact CB-CG 4.24Å; N220-L229 PolarHBondContact OD1-N 3.49Å; Q227-L229 HydrophobicContact CG-CD2 4.11Å; L229-T233 HydrophobicContact CD2-CG2 4.34Å; L229-I234 HydrophobicContact CB-CD1 4.27Å; L229-I234 HydrophobicContact CB-CG1 3.92Å; L229-I234 HydrophobicContact CD1-CG1 4.4Å | ||
| 230 | S | 95.5 | Very high | 97.8 | Very high | 54 Ų | 54 | 24.1 Ų | 24.1 | 38% | 0.378 | 13% | 0.125 | S | C | . | . | trans | -71.5 | 158.9 | 172.9 | 81.5 | 0 | 0 | 0 | 0 | 111.8 | D232 T233 I234 | S230-D232 PolarHBondContact O-N 2.87Å; S230-D232 PolarHBondContact OG-N 3.44Å; S230-T233 PolarHBondContact O-N 2.85Å; S230-T233 PolarHBondContact OG-N 3.13Å; S230-T233 PolarHBondContact OG-OG1 2.7Å; S230-I234 WeakPolarHBondContact O-CG1 3.41Å; S230-I234 PolarHBondContact O-N 3.2Å | ||
| 231 | K | 95.8 | Very high | 97.8 | Very high | 86 Ų | 86 | 24 Ų | 24 | 37% | 0.374 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -56.1 | -40.4 | 173 | -169.5 | 176.5 | -178.3 | 172.6 | 0 | 112.1 | I234 T235 I266 D274 | K231-I234 PolarHBondContact O-N 3.12Å; K231-T235 VanDerWaalsContact O-CB 3.27Å; K231-T235 WeakPolarHBondContact O-CB 3.16Å; K231-T235 PolarHBondContact O-N 3.17Å; K231-T235 PolarHBondContact O-OG1 3.33Å; K231-I266 HydrophobicContact CB-CD1 3.59Å; K231-I266 HydrophobicContact CD-CD1 4.26Å; K231-I266 HydrophobicContact CG-CD1 4Å; K231-D274 VanDerWaalsContact CE-OD2 3.26Å; K231-D274 WeakPolarHBondContact CE-OD2 3.47Å; K231-D274 IonicContact NZ-OD2 2.82Å; K231-D274 PolarHBondContact NZ-OD2 2.97Å |
| 232 | D | 96.6 | Very high | 97.9 | Very high | 114 Ų | 114 | 27 Ų | 27 | 61% | 0.61 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -68.8 | -42.2 | -177.1 | -69.5 | -16.3 | 0 | 0 | 0 | 110.7 | S230 T235 N236 | S230-D232 PolarHBondContact O-N 2.87Å; S230-D232 PolarHBondContact OG-N 3.44Å; D232-T235 WeakPolarHBondContact O-CB 3.08Å; D232-T235 PolarHBondContact O-N 3Å; D232-N236 WeakPolarHBondContact O-CB 3.45Å; D232-N236 PolarHBondContact O-N 2.98Å; D232-N236 PolarHBondContact O-ND2 3.33Å |
| 233 | T | 97.5 | Very high | 97.9 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.2 | -53 | 172.5 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | D194 L195 L229 S230 T235 N236 V237 | D194-T233 WeakPolarHBondContact OD1-CB 3.28Å; D194-T233 WeakPolarHBondContact OD1-CG2 3.49Å; D194-T233 PolarHBondContact OD1-OG1 2.67Å; D194-T233 PolarHBondContact OD2-OG1 3.39Å; L195-T233 HydrophobicContact CB-CG2 3.73Å; L195-T233 HydrophobicContact CD1-CG2 4.22Å; L229-T233 HydrophobicContact CD2-CG2 4.34Å; S230-T233 PolarHBondContact O-N 2.85Å; S230-T233 PolarHBondContact OG-N 3.13Å; S230-T233 PolarHBondContact OG-OG1 2.7Å; T233-T235 VanDerWaalsContact C-N 3.26Å; T233-T235 PolarHBondContact O-N 2.64Å; T233-N236 PolarHBondContact O-N 2.94Å; T233-N236 VanDerWaalsContact O-N 3.16Å; T233-V237 HydrophobicContact CG2-CG2 4.34Å; T233-V237 VanDerWaalsContact O-CG2 3.3Å; T233-V237 WeakPolarHBondContact O-CG2 3.49Å; T233-V237 PolarHBondContact O-N 3.15Å |
| 234 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.5 | -44.7 | 179.7 | -64.9 | 165.8 | 0 | 0 | 0 | 110.1 | L229 S230 K231 N236 V237 L238 I266 F268 A271 | L229-I234 HydrophobicContact CB-CD1 4.27Å; L229-I234 HydrophobicContact CB-CG1 3.92Å; L229-I234 HydrophobicContact CD1-CG1 4.4Å; S230-I234 WeakPolarHBondContact O-CG1 3.41Å; S230-I234 PolarHBondContact O-N 3.2Å; K231-I234 PolarHBondContact O-N 3.12Å; I234-N236 PolarHBondContact O-N 3.36Å; I234-V237 PolarHBondContact O-N 3.37Å; I234-L238 HydrophobicContact CG2-CD1 3.94Å; I234-L238 HydrophobicContact CG2-CG 4.46Å; I234-L238 VanDerWaalsContact O-CG 3.3Å; I234-L238 WeakPolarHBondContact O-CG 3.36Å; I234-L238 PolarHBondContact O-N 2.93Å; I234-I266 HydrophobicContact CD1-CB 4.24Å; I234-I266 HydrophobicContact CD1-CG2 4.45Å; I234-F268 HydrophobicContact CB-CZ 4.41Å; I234-F268 HydrophobicContact CD1-CE2 4.5Å; I234-F268 HydrophobicContact CG1-CE2 4.1Å; I234-F268 HydrophobicContact CG1-CZ 4.1Å; I234-F268 HydrophobicContact CG2-CD1 3.89Å; I234-F268 HydrophobicContact CG2-CD2 4.17Å; I234-F268 HydrophobicContact CG2-CE1 3.81Å; I234-F268 HydrophobicContact CG2-CE2 4.1Å; I234-F268 HydrophobicContact CG2-CG 4.05Å; I234-F268 HydrophobicContact CG2-CZ 3.89Å; I234-A271 HydrophobicContact CB-CB 4.28Å; I234-A271 HydrophobicContact CG2-CB 3.4Å |
| 235 | T | 98.5 | Very high | 97.9 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 178.5 | -66 | 0 | 0 | 0 | 0 | 112.2 | K231 D232 T233 V237 L238 K239 I275 | K231-T235 VanDerWaalsContact O-CB 3.27Å; K231-T235 WeakPolarHBondContact O-CB 3.16Å; K231-T235 PolarHBondContact O-N 3.17Å; K231-T235 PolarHBondContact O-OG1 3.33Å; D232-T235 WeakPolarHBondContact O-CB 3.08Å; D232-T235 PolarHBondContact O-N 3Å; T233-T235 VanDerWaalsContact C-N 3.26Å; T233-T235 PolarHBondContact O-N 2.64Å; T235-V237 VanDerWaalsContact C-N 3.35Å; T235-L238 PolarHBondContact O-N 2.64Å; T235-K239 HydrophobicContact CG2-CD 4.24Å; T235-K239 WeakPolarHBondContact O-CG 3.46Å; T235-K239 PolarHBondContact O-N 3.23Å; T235-I275 HydrophobicContact CG2-CD1 4.03Å; T235-I275 HydrophobicContact CG2-CG1 3.8Å |
| 236 | N | 98.6 | Very high | 97.9 | Very high | 71 Ų | 71 | 42.8 Ų | 42.8 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.4 | -38 | 179.9 | -69.7 | -25.3 | 0 | 0 | 0 | 111.6 | I197 D232 T233 I234 K239 F240 | I197-N236 HydrophobicContact CD1-CB 3.79Å; I197-N236 HydrophobicContact CG1-CB 3.83Å; D232-N236 WeakPolarHBondContact O-CB 3.45Å; D232-N236 PolarHBondContact O-N 2.98Å; D232-N236 PolarHBondContact O-ND2 3.33Å; T233-N236 PolarHBondContact O-N 2.94Å; T233-N236 VanDerWaalsContact O-N 3.16Å; I234-N236 PolarHBondContact O-N 3.36Å; N236-K239 PolarHBondContact O-N 2.81Å; N236-F240 WeakPolarHBondContact O-CB 3.31Å; N236-F240 PolarHBondContact O-N 3.46Å |
| 237 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | L195 I197 L200 L216 V218 T233 I234 T235 F240 A241 F268 | L195-V237 HydrophobicContact CB-CG2 4.16Å; L195-V237 HydrophobicContact CD1-CG2 4.39Å; L195-V237 HydrophobicContact CD2-CG2 4.25Å; I197-V237 HydrophobicContact CD1-CG2 4.13Å; L200-V237 HydrophobicContact CD1-CG2 4.24Å; L216-V237 HydrophobicContact CD2-CG1 3.64Å; V218-V237 HydrophobicContact CG2-CG1 3.83Å; T233-V237 HydrophobicContact CG2-CG2 4.34Å; T233-V237 VanDerWaalsContact O-CG2 3.3Å; T233-V237 WeakPolarHBondContact O-CG2 3.49Å; T233-V237 PolarHBondContact O-N 3.15Å; I234-V237 PolarHBondContact O-N 3.37Å; T235-V237 VanDerWaalsContact C-N 3.35Å; V237-F240 WeakPolarHBondContact O-CB 3.32Å; V237-F240 PolarHBondContact O-N 2.96Å; V237-A241 WeakPolarHBondContact O-CB 3.18Å; V237-A241 PolarHBondContact O-N 2.96Å; V237-F268 HydrophobicContact CG1-CE1 4.29Å |
| 238 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.3 | -71.9 | 166 | 0 | 0 | 0 | 111.8 | I234 T235 F240 A241 Y242 V248 F268 A271 L272 I275 L283 | I234-L238 HydrophobicContact CG2-CD1 3.94Å; I234-L238 HydrophobicContact CG2-CG 4.46Å; I234-L238 VanDerWaalsContact O-CG 3.3Å; I234-L238 WeakPolarHBondContact O-CG 3.36Å; I234-L238 PolarHBondContact O-N 2.93Å; T235-L238 PolarHBondContact O-N 2.64Å; L238-F240 VanDerWaalsContact C-N 3.33Å; L238-F240 PolarHBondContact O-N 3.48Å; L238-A241 PolarHBondContact O-N 2.5Å; L238-Y242 WeakPolarHBondContact O-CB 3.39Å; L238-Y242 PolarHBondContact O-N 3.15Å; L238-V248 HydrophobicContact CD2-CG2 4.32Å; L238-F268 HydrophobicContact CD1-CD1 4.46Å; L238-F268 HydrophobicContact CD2-CD1 3.79Å; L238-F268 HydrophobicContact CD2-CE1 4.43Å; L238-F268 HydrophobicContact CG-CD1 4.08Å; L238-F268 HydrophobicContact CG-CE1 4.41Å; L238-A271 HydrophobicContact CD1-CB 3.82Å; L238-L272 HydrophobicContact CD1-CB 3.99Å; L238-L272 HydrophobicContact CD2-CB 4.38Å; L238-L272 HydrophobicContact CD2-CD1 4.35Å; L238-I275 HydrophobicContact CB-CD1 3.65Å; L238-I275 HydrophobicContact CD1-CD1 3.79Å; L238-I275 HydrophobicContact CG-CD1 4.39Å; L238-L283 HydrophobicContact CB-CD2 4.07Å; L238-L283 HydrophobicContact CD2-CD2 3.62Å; L238-L283 HydrophobicContact CG-CD2 4.48Å; L238-L283 WeakPolarHBondContact O-CD2 3.5Å |
| 239 | K | 98.8 | Very high | 98.1 | Very high | 95 Ų | 95 | 41.7 Ų | 41.7 | 41% | 0.413 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 175 | -71.7 | 170.7 | -178.6 | 172.3 | 0 | 112 | T235 N236 K243 I275 I279 | T235-K239 HydrophobicContact CG2-CD 4.24Å; T235-K239 WeakPolarHBondContact O-CG 3.46Å; T235-K239 PolarHBondContact O-N 3.23Å; N236-K239 PolarHBondContact O-N 2.81Å; K239-K243 WeakPolarHBondContact O-CB 3.38Å; K239-K243 PolarHBondContact O-N 2.8Å; K239-I275 HydrophobicContact CG-CD1 4.46Å; K239-I279 HydrophobicContact CG-CD1 3.9Å |
| 240 | F | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 174.9 | 169.6 | -89 | 0 | 0 | 0 | 111.6 | M162 I197 L200 E201 L204 L216 N236 V237 L238 Y242 K243 H244 L246 | M162-F240 HydrophobicContact CE-CE1 4.16Å; M162-F240 HydrophobicContact CE-CZ 4.12Å; M162-F240 HydrophobicContact SD-CE1 3.95Å; M162-F240 HydrophobicContact SD-CZ 4.25Å; I197-F240 HydrophobicContact CD1-CB 4.25Å; I197-F240 HydrophobicContact CG2-CB 4.41Å; I197-F240 HydrophobicContact CG2-CD2 4.03Å; L200-F240 HydrophobicContact CB-CD1 4.26Å; L200-F240 HydrophobicContact CB-CD2 4.17Å; L200-F240 HydrophobicContact CB-CE1 3.81Å; L200-F240 HydrophobicContact CB-CE2 3.69Å; L200-F240 HydrophobicContact CB-CG 4.42Å; L200-F240 HydrophobicContact CB-CZ 3.49Å; L200-F240 VanDerWaalsContact CB-CZ 3.49Å; L200-F240 HydrophobicContact CD1-CD1 3.89Å; L200-F240 HydrophobicContact CD1-CE1 4.12Å; L200-F240 HydrophobicContact CD1-CG 4.19Å; L200-F240 HydrophobicContact CG-CE1 4.45Å; E201-F240 HydrophobicContact CB-CE2 4.47Å; E201-F240 HydrophobicContact CG-CD2 4.15Å; E201-F240 HydrophobicContact CG-CE2 3.8Å; L204-F240 HydrophobicContact CD1-CE1 4.06Å; L204-F240 HydrophobicContact CD1-CE2 4.07Å; L204-F240 HydrophobicContact CD1-CZ 3.32Å; L204-F240 HydrophobicContact CG-CZ 3.94Å; L216-F240 HydrophobicContact CD2-CD1 4.01Å; L216-F240 HydrophobicContact CD2-CE1 4.23Å; N236-F240 WeakPolarHBondContact O-CB 3.31Å; N236-F240 PolarHBondContact O-N 3.46Å; V237-F240 WeakPolarHBondContact O-CB 3.32Å; V237-F240 PolarHBondContact O-N 2.96Å; L238-F240 VanDerWaalsContact C-N 3.33Å; L238-F240 PolarHBondContact O-N 3.48Å; F240-Y242 VanDerWaalsContact C-N 3.31Å; F240-Y242 PolarHBondContact O-N 3.01Å; F240-K243 WeakPolarHBondContact O-CB 3.22Å; F240-K243 PolarHBondContact O-N 3.43Å; F240-H244 AromaticContact CD2-CD2 3.58Å; F240-H244 AromaticContact CD2-NE2 3.83Å; F240-H244 AromaticContact CE2-CD2 3.34Å; F240-H244 WeakPolarHBondContact CE2-CD2 3.43Å; F240-H244 AromaticContact CE2-NE2 3.45Å; F240-H244 WeakPolarHBondContact CE2-NE2 3.15Å; F240-H244 AromaticContact CZ-CD2 3.69Å; F240-H244 PolarHBondContact O-CD2 2.82Å; F240-H244 PolarHBondContact O-N 3.1Å; F240-H244 VanDerWaalsContact O-N 3.12Å; F240-L246 HydrophobicContact CE1-CD1 3.85Å |
| 241 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V237 L238 H244 N245 L246 V248 L283 | V237-A241 WeakPolarHBondContact O-CB 3.18Å; V237-A241 PolarHBondContact O-N 2.96Å; L238-A241 PolarHBondContact O-N 2.5Å; A241-H244 CarbonylContact O-C 3.58Å; A241-H244 PolarHBondContact O-N 3.44Å; A241-N245 PolarHBondContact O-N 2.98Å; A241-L246 HydrophobicContact CB-CB 4.23Å; A241-L246 PolarHBondContact O-N 2.81Å; A241-V248 HydrophobicContact CB-CG2 3.35Å; A241-L283 HydrophobicContact CB-CD1 4.04Å; A241-L283 HydrophobicContact CB-CD2 4.38Å |
| 242 | Y | 98.7 | Very high | 98.5 | Very high | 63 Ų | 63 | 35.1 Ų | 35.1 | 25% | 0.247 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 175.1 | 179.4 | -100.3 | 0 | 0 | 0 | 112.7 | L238 F240 H244 N245 R278 I279 E282 L283 | L238-Y242 WeakPolarHBondContact O-CB 3.39Å; L238-Y242 PolarHBondContact O-N 3.15Å; F240-Y242 VanDerWaalsContact C-N 3.31Å; F240-Y242 PolarHBondContact O-N 3.01Å; Y242-H244 PolarHBondContact O-N 2.91Å; Y242-N245 PolarHBondContact O-N 2.96Å; Y242-R278 WeakPolarHBondContact OH-CB 3.47Å; Y242-I279 HydrophobicContact CD1-CB 4.49Å; Y242-I279 HydrophobicContact CD1-CD1 3.98Å; Y242-I279 HydrophobicContact CD1-CG1 3.57Å; Y242-I279 HydrophobicContact CD2-CG1 4.37Å; Y242-I279 HydrophobicContact CD2-CG2 4.46Å; Y242-I279 HydrophobicContact CE1-CG1 3.82Å; Y242-I279 HydrophobicContact CG-CB 4.29Å; Y242-I279 HydrophobicContact CG-CD1 4.41Å; Y242-I279 HydrophobicContact CG-CG1 3.84Å; Y242-I279 HydrophobicContact CG-CG2 4.12Å; Y242-E282 HydrophobicContact CE2-CB 3.86Å; Y242-E282 PolarHBondContact OH-OE2 2.92Å; Y242-L283 HydrophobicContact CD2-CB 4.21Å |
| 243 | K | 98.5 | Very high | 98.6 | Very high | 140 Ų | 140 | 30.4 Ų | 30.4 | 61% | 0.609 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -55.5 | -38.6 | 176.9 | 176 | -173.3 | 171.5 | -168.6 | 0 | 112.3 | E201 K239 F240 | E201-K243 IonicContact OE1-NZ 3.97Å; E201-K243 PolarHBondContact OE1-NZ 2.85Å; E201-K243 IonicContact OE2-NZ 3.52Å; K239-K243 WeakPolarHBondContact O-CB 3.38Å; K239-K243 PolarHBondContact O-N 2.8Å; F240-K243 WeakPolarHBondContact O-CB 3.22Å; F240-K243 PolarHBondContact O-N 3.43Å |
| 244 | H | 98.3 | Very high | 98.7 | Very high | 59 Ų | 59 | 30 Ų | 30 | 27% | 0.273 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 9.8 | -176 | -66.6 | -74.4 | 0 | 0 | 0 | 113.9 | E201 L204 F240 A241 Y242 L246 | E201-H244 IonicContact OE1-CD2 3.38Å; E201-H244 IonicContact OE1-CE1 3.7Å; E201-H244 IonicContact OE1-NE2 2.59Å; E201-H244 PolarHBondContact OE1-NE2 3.32Å; E201-H244 IonicContact OE2-CE1 2.65Å; E201-H244 PolarHBondContact OE2-CE1 3.11Å; E201-H244 VanDerWaalsContact OE2-CE1 3.31Å; E201-H244 IonicContact OE2-NE2 3.44Å; E201-H244 PolarHBondContact OE2-NE2 3.01Å; L204-H244 HydrophobicContact CD1-CB 3.92Å; F240-H244 AromaticContact CD2-CD2 3.58Å; F240-H244 AromaticContact CD2-NE2 3.83Å; F240-H244 AromaticContact CE2-CD2 3.34Å; F240-H244 WeakPolarHBondContact CE2-CD2 3.43Å; F240-H244 AromaticContact CE2-NE2 3.45Å; F240-H244 WeakPolarHBondContact CE2-NE2 3.15Å; F240-H244 AromaticContact CZ-CD2 3.69Å; F240-H244 PolarHBondContact O-CD2 2.82Å; F240-H244 PolarHBondContact O-N 3.1Å; F240-H244 VanDerWaalsContact O-N 3.12Å; A241-H244 CarbonylContact O-C 3.58Å; A241-H244 PolarHBondContact O-N 3.44Å; Y242-H244 PolarHBondContact O-N 2.91Å; H244-L246 VanDerWaalsContact C-N 3.33Å; H244-L246 HydrophobicContact CB-CD1 4.1Å; H244-L246 HydrophobicContact CB-CG 3.96Å; H244-L246 PolarHBondContact O-N 3.45Å |
| 245 | N | 97.8 | Very high | 98.6 | Very high | 136 Ų | 136 | 30.3 Ų | 30.3 | 73% | 0.727 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 47 | -179.9 | -168.1 | 44.4 | 0 | 0 | 0 | 113.3 | A241 Y242 | A241-N245 PolarHBondContact O-N 2.98Å; Y242-N245 PolarHBondContact O-N 2.96Å |
| 246 | L | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -100.9 | 137.2 | 179.3 | -57.9 | 176.3 | 0 | 0 | 0 | 110.6 | M162 L204 P213 L216 F240 A241 H244 L283 | M162-L246 HydrophobicContact SD-CD1 3.66Å; L204-L246 HydrophobicContact CD1-CD1 4.28Å; P213-L246 HydrophobicContact CB-CD2 3.78Å; L216-L246 HydrophobicContact CB-CD1 4.21Å; F240-L246 HydrophobicContact CE1-CD1 3.85Å; A241-L246 HydrophobicContact CB-CB 4.23Å; A241-L246 PolarHBondContact O-N 2.81Å; H244-L246 VanDerWaalsContact C-N 3.33Å; H244-L246 HydrophobicContact CB-CD1 4.1Å; H244-L246 HydrophobicContact CB-CG 3.96Å; H244-L246 PolarHBondContact O-N 3.45Å; L246-L283 WeakPolarHBondContact O-CD1 3.38Å |
| 247 | V | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 129.6 | 165.5 | -175 | 0 | 0 | 0 | 0 | 108.9 | I149 R214 A215 L216 L249 Q284 F311 | I149-V247 HydrophobicContact CG2-CG2 4.29Å; R214-V247 PolarHBondContact O-N 2.85Å; A215-V247 CarbonylContact C-O 3.56Å; A215-V247 WeakPolarHBondContact CA-O 3.45Å; A215-V247 HydrophobicContact CB-CB 4.42Å; L216-V247 PolarHBondContact N-O 3.35Å; V247-L249 HydrophobicContact CB-CD1 4.26Å; V247-L249 HydrophobicContact CG1-CD1 3.77Å; V247-Q284 HydrophobicContact CG1-CB 4.2Å; V247-Q284 HydrophobicContact CG2-CB 4.19Å; V247-F311 HydrophobicContact CG1-CE1 4.37Å; V247-F311 HydrophobicContact CG1-CE2 4.27Å; V247-F311 HydrophobicContact CG1-CZ 3.56Å |
| 248 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.7 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | L216 L238 A241 F268 L283 Q284 L285 A286 | L216-V248 WeakPolarHBondContact O-CA 3.34Å; L238-V248 HydrophobicContact CD2-CG2 4.32Å; A241-V248 HydrophobicContact CB-CG2 3.35Å; V248-F268 HydrophobicContact CG1-CD1 3.87Å; V248-F268 HydrophobicContact CG1-CE1 4.09Å; V248-L283 HydrophobicContact CG2-CD1 4.31Å; V248-L283 HydrophobicContact CG2-CD2 4.16Å; V248-L283 HydrophobicContact CG2-CG 4.44Å; V248-Q284 PolarHBondContact N-O 3.06Å; V248-L285 HydrophobicContact CB-CD1 3.87Å; V248-L285 HydrophobicContact CG1-CD1 3.73Å; V248-L285 WeakPolarHBondContact O-CA 3.43Å; V248-A286 PolarHBondContact O-N 3.39Å |
| 249 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 96.4 | 172.3 | -87 | 66.4 | 0 | 0 | 0 | 107.7 | I145 L146 A215 L216 V217 V218 V247 D251 F288 | I145-L249 HydrophobicContact CG2-CD1 3.96Å; I145-L249 HydrophobicContact CG2-CD2 4.15Å; I145-L249 HydrophobicContact CG2-CG 4.05Å; L146-L249 HydrophobicContact CD2-CD2 3.64Å; L146-L249 HydrophobicContact CG-CD2 4.1Å; A215-L249 HydrophobicContact CB-CD1 3.91Å; L216-L249 PolarHBondContact O-N 3.35Å; V217-L249 WeakPolarHBondContact CA-O 3.45Å; V217-L249 HydrophobicContact CG2-CB 4.08Å; V217-L249 HydrophobicContact CG2-CD2 4.12Å; V218-L249 PolarHBondContact N-O 3.17Å; V247-L249 HydrophobicContact CB-CD1 4.26Å; V247-L249 HydrophobicContact CG1-CD1 3.77Å; L249-D251 PolarHBondContact O-N 3.28Å; L249-F288 HydrophobicContact CB-CE2 3.8Å; L249-F288 HydrophobicContact CB-CZ 4.45Å; L249-F288 HydrophobicContact CD2-CE2 4.35Å; L249-F288 HydrophobicContact CD2-CZ 4.32Å; L249-F288 HydrophobicContact CG-CE2 3.86Å; L249-F288 HydrophobicContact CG-CZ 4Å |
| 250 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 101.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E252 F268 L285 A286 S287 F288 | A250-E252 HydrophobicContact CB-CG 4.12Å; A250-E252 PolarHBondContact O-N 3.31Å; A250-F268 HydrophobicContact CB-CB 3.78Å; A250-F268 HydrophobicContact CB-CD1 4.28Å; A250-F268 HydrophobicContact CB-CD2 3.73Å; A250-F268 HydrophobicContact CB-CE2 4.45Å; A250-F268 HydrophobicContact CB-CG 3.65Å; A250-L285 HydrophobicContact CB-CD1 3.76Å; A250-A286 PolarHBondContact N-O 2.86Å; A250-S287 WeakPolarHBondContact O-CA 3.46Å; A250-F288 WeakPolarHBondContact O-CD2 3.39Å; A250-F288 PolarHBondContact O-N 2.86Å |
| 251 | D | 98.9 | Very high | 96.3 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 94.6 | 175.5 | -168.5 | -18.1 | 0 | 0 | 0 | 110.1 | Y171 V218 I219 N220 L249 V253 | Y171-D251 VanDerWaalsContact OH-CB 3.22Å; Y171-D251 WeakPolarHBondContact OH-CB 3.12Å; Y171-D251 VanDerWaalsContact OH-CG 3.24Å; Y171-D251 PolarHBondContact OH-OD2 3.11Å; V218-D251 PolarHBondContact O-N 3.38Å; I219-D251 HydrophobicContact CB-CB 4.41Å; I219-D251 HydrophobicContact CG1-CB 4.22Å; I219-D251 HydrophobicContact CG2-CB 4.29Å; N220-D251 PolarHBondContact N-O 3.15Å; L249-D251 PolarHBondContact O-N 3.28Å; D251-V253 VanDerWaalsContact OD1-CG1 3.25Å; D251-V253 WeakPolarHBondContact OD1-CG1 3.16Å; D251-V253 VanDerWaalsContact OD1-CG2 3.28Å; D251-V253 WeakPolarHBondContact OD1-CG2 3.23Å |
| 252 | E | 98.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | trans | -107.2 | 24.1 | -172 | -60.2 | 177.1 | 149.4 | 0 | 0 | 111.9 | N220 A250 Y254 Q255 F265 S267 F268 F288 | N220-E252 WeakPolarHBondContact O-CA 3.47Å; A250-E252 HydrophobicContact CB-CG 4.12Å; A250-E252 PolarHBondContact O-N 3.31Å; E252-Y254 PolarHBondContact O-N 3.24Å; E252-Y254 VanDerWaalsContact O-N 3.1Å; E252-Q255 WeakPolarHBondContact O-CB 3.41Å; E252-Q255 WeakPolarHBondContact O-CG 3.03Å; E252-Q255 PolarHBondContact O-N 3.5Å; E252-Q255 VanDerWaalsContact O-N 3.13Å; E252-Q255 PolarHBondContact O-NE2 2.66Å; E252-F265 HydrophobicContact CB-CE2 4.24Å; E252-F265 HydrophobicContact CB-CZ 3.86Å; E252-F265 HydrophobicContact CG-CE2 4.24Å; E252-F265 HydrophobicContact CG-CZ 3.86Å; E252-S267 WeakPolarHBondContact OE1-CA 3.31Å; E252-F268 PolarHBondContact OE1-N 3.12Å; E252-F288 CarbonylContact C-O 3.6Å; E252-F288 PolarHBondContact N-O 2.84Å; E252-F288 VanDerWaalsContact N-O 3.14Å | ||
| 253 | V | 98.6 | Very high | 94 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20 | -175 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | A138 D251 K293 | A138-V253 HydrophobicContact CB-CG1 3.56Å; D251-V253 VanDerWaalsContact OD1-CG1 3.25Å; D251-V253 WeakPolarHBondContact OD1-CG1 3.16Å; D251-V253 VanDerWaalsContact OD1-CG2 3.28Å; D251-V253 WeakPolarHBondContact OD1-CG2 3.23Å; V253-K293 HydrophobicContact CB-CG 4.41Å; V253-K293 HydrophobicContact CG2-CG 4.32Å; V253-K293 WeakPolarHBondContact O-CB 3.4Å |
| 254 | Y | 98.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 12 | 179.6 | -74.1 | -69.3 | 0 | 0 | 0 | 113.8 | P221 N223 E252 H256 N257 K293 A390 M391 Y392 | P221-Y254 WeakPolarHBondContact CG-O 3.43Å; N223-Y254 HydrophobicContact CB-CE2 3.91Å; E252-Y254 PolarHBondContact O-N 3.24Å; E252-Y254 VanDerWaalsContact O-N 3.1Å; Y254-H256 PolarHBondContact O-N 3.31Å; Y254-N257 HydrophobicContact CD1-CB 4.34Å; Y254-N257 WeakPolarHBondContact CD1-OD1 3.29Å; Y254-N257 WeakPolarHBondContact O-CB 3.32Å; Y254-N257 PolarHBondContact O-N 2.96Å; Y254-K293 HydrophobicContact CD1-CB 3.87Å; Y254-K293 HydrophobicContact CD1-CG 4.19Å; Y254-K293 HydrophobicContact CE1-CB 3.76Å; Y254-K293 HydrophobicContact CE1-CD 3.74Å; Y254-K293 HydrophobicContact CE1-CG 3.73Å; Y254-K293 WeakPolarHBondContact OH-CD 3.48Å; Y254-K293 WeakPolarHBondContact OH-CE 3.46Å; Y254-K293 PolarHBondContact OH-NZ 3.31Å; Y254-A390 HydrophobicContact CD1-CB 3.68Å; Y254-A390 HydrophobicContact CD2-CB 3.79Å; Y254-A390 HydrophobicContact CE1-CB 4.1Å; Y254-A390 HydrophobicContact CE2-CB 4.26Å; Y254-A390 HydrophobicContact CG-CB 3.51Å; Y254-M391 HydrophobicContact CD1-CG 4.38Å; Y254-M391 HydrophobicContact CE1-CB 4.33Å; Y254-M391 HydrophobicContact CE1-CE 3.65Å; Y254-M391 HydrophobicContact CE1-CG 3.89Å; Y254-M391 HydrophobicContact CE1-SD 4.44Å; Y254-Y392 HydrophobicContact CE1-CE2 4.42Å; Y254-Y392 HydrophobicContact CE2-CE2 4.14Å; Y254-Y392 AromaticContact CZ-CE2 3.63Å; Y254-Y392 WeakPolarHBondContact OH-CE2 3.34Å; Y254-Y392 PolarHBondContact OH-OH 3.38Å |
| 255 | Q | 97.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.9 | -173.5 | 68.9 | -171.9 | -89.1 | 0 | 0 | 115.8 | Y118 E252 F265 | Y118-Q255 PolarHBondContact OH-OE1 3.31Å; Y118-Q255 VanDerWaalsContact OH-OE1 3.09Å; E252-Q255 WeakPolarHBondContact O-CB 3.41Å; E252-Q255 WeakPolarHBondContact O-CG 3.03Å; E252-Q255 PolarHBondContact O-N 3.5Å; E252-Q255 VanDerWaalsContact O-N 3.13Å; E252-Q255 PolarHBondContact O-NE2 2.66Å; Q255-F265 HydrophobicContact CB-CD1 3.69Å; Q255-F265 HydrophobicContact CB-CD2 3.68Å; Q255-F265 HydrophobicContact CB-CE1 3.61Å; Q255-F265 HydrophobicContact CB-CE2 3.61Å; Q255-F265 HydrophobicContact CB-CG 3.71Å; Q255-F265 HydrophobicContact CB-CZ 3.57Å; Q255-F265 HydrophobicContact CG-CE1 4.46Å |
| 256 | H | 96.4 | Very high | 93.5 | Very high | 42 Ų | 42 | 30.7 Ų | 30.7 | 19% | 0.194 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -9.6 | 175.6 | -69.6 | -55.4 | 0 | 0 | 0 | 114.2 | Y118 Y254 I258 Y295 L362 | Y118-H256 PolarHBondContact OH-CE1 2.73Å; Y118-H256 PolarHBondContact OH-NE2 2.81Å; Y254-H256 PolarHBondContact O-N 3.31Å; H256-I258 PolarHBondContact O-N 3.49Å; H256-Y295 HydrophobicContact CB-CD1 4.26Å; H256-Y295 HydrophobicContact CB-CE1 4.45Å; H256-L362 VanDerWaalsContact O-CD2 3.27Å; H256-L362 WeakPolarHBondContact O-CD2 3.32Å |
| 257 | N | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -97.8 | 74 | 178.4 | -69.3 | 104.4 | 0 | 0 | 0 | 109.7 | Y254 Y259 G294 G389 A390 | Y254-N257 HydrophobicContact CD1-CB 4.34Å; Y254-N257 WeakPolarHBondContact CD1-OD1 3.29Å; Y254-N257 WeakPolarHBondContact O-CB 3.32Å; Y254-N257 PolarHBondContact O-N 2.96Å; N257-Y259 PolarHBondContact ND2-OH 3.44Å; N257-Y259 VanDerWaalsContact ND2-OH 3.09Å; N257-G294 WeakPolarHBondContact OD1-CA 3.44Å; N257-G294 PolarHBondContact OD1-N 3.01Å; N257-G389 CarbonylContact O-C 3.35Å; N257-G389 WeakPolarHBondContact O-CA 3.31Å; N257-A390 WeakPolarHBondContact CB-O 3.05Å; N257-A390 PolarHBondContact O-N 3.15Å | ||
| 258 | I | 96.8 | Very high | 93.5 | Very high | 45 Ų | 45 | 30.1 Ų | 30.1 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -114.7 | 127.4 | 178.5 | -52 | -54.1 | 0 | 0 | 0 | 109.2 | P221 L228 H256 A260 T263 F265 | P221-I258 HydrophobicContact CG-CD1 3.5Å; P221-I258 VanDerWaalsContact CG-CD1 3.5Å; L228-I258 HydrophobicContact CD1-CD1 3.87Å; L228-I258 HydrophobicContact CD2-CD1 4.24Å; L228-I258 HydrophobicContact CD2-CG2 3.9Å; H256-I258 PolarHBondContact O-N 3.49Å; I258-A260 HydrophobicContact CG2-CB 4.45Å; I258-T263 WeakPolarHBondContact CG2-O 3.49Å; I258-F265 HydrophobicContact CD1-CB 4.07Å; I258-F265 HydrophobicContact CG1-CB 4.03Å |
| 259 | Y | 94 | Very high | 93.5 | Very high | 15 Ų | 15 | 31 Ų | 31 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | trans | -119.7 | -13.4 | -178.2 | -46.8 | -49.4 | 0 | 0 | 0 | 112.5 | N257 L365 K366 A369 I387 T388 A390 I449 | N257-Y259 PolarHBondContact ND2-OH 3.44Å; N257-Y259 VanDerWaalsContact ND2-OH 3.09Å; Y259-L365 HydrophobicContact CE1-CB 3.74Å; Y259-L365 WeakPolarHBondContact OH-CB 3.24Å; Y259-K366 HydrophobicContact CD1-CB 3.84Å; Y259-K366 HydrophobicContact CD1-CG 4.42Å; Y259-K366 HydrophobicContact CG-CB 4.4Å; Y259-A369 HydrophobicContact CD2-CB 3.9Å; Y259-A369 HydrophobicContact CE2-CB 4.26Å; Y259-A369 HydrophobicContact CG-CB 4.4Å; Y259-I387 HydrophobicContact CD2-CG2 4.17Å; Y259-I387 HydrophobicContact CE2-CG2 4.21Å; Y259-T388 PolarHBondContact N-O 3.31Å; Y259-A390 WeakPolarHBondContact CE2-O 2.92Å; Y259-A390 VanDerWaalsContact CZ-O 3.28Å; Y259-A390 PolarHBondContact OH-O 2.71Å; Y259-I449 HydrophobicContact CE2-CD1 3.9Å | ||
| 260 | A | 83.9 | Confident | 93.4 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | trans | -57.4 | 133.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | L228 I258 D262 T263 T388 | L228-A260 HydrophobicContact CD2-CB 4.37Å; I258-A260 HydrophobicContact CG2-CB 4.45Å; A260-D262 PolarHBondContact O-N 2.94Å; A260-T263 VanDerWaalsContact CB-OG1 3.3Å; A260-T263 WeakPolarHBondContact CB-OG1 3.45Å; A260-T388 HydrophobicContact CB-CG2 4.38Å; A260-T388 PolarHBondContact N-O 3Å | ||
| 261 | P | 75.7 | Confident | 93.4 | Very high | 109 Ų | 109 | 34.4 Ų | 34.4 | 71% | 0.708 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -68.2 | -36.4 | -174.1 | 24.6 | -32.7 | 0 | 0 | 0 | 113.1 | ||
| 262 | D | 74.9 | Confident | 93.4 | Very high | 151 Ų | 151 | 34.2 Ų | 34.2 | 81% | 0.807 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -118.9 | 2.1 | -165.1 | -55.2 | -46 | 0 | 0 | 0 | 114 | A260 | A260-D262 PolarHBondContact O-N 2.94Š|
| 263 | T | 74.8 | Confident | 93.4 | Very high | 81 Ų | 81 | 40.8 Ų | 40.8 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | trans | -131.1 | 122.3 | -177.7 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | I258 A260 | I258-T263 WeakPolarHBondContact CG2-O 3.49Å; A260-T263 VanDerWaalsContact CB-OG1 3.3Å; A260-T263 WeakPolarHBondContact CB-OG1 3.45Å | ||
| 264 | G | 89 | Confident | 93.3 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 56% | 0.557 | 23% | 0.232 | S | C | * | . | trans | -83.4 | 166.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 265 | F | 96.8 | Very high | 93.3 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 16% | 0.162 | 24% | 0.242 | C | C | . | . | trans | -62.4 | 134.6 | 168.4 | 173.4 | -101.5 | 0 | 0 | 0 | 111 | E252 Q255 I258 | E252-F265 HydrophobicContact CB-CE2 4.24Å; E252-F265 HydrophobicContact CB-CZ 3.86Å; E252-F265 HydrophobicContact CG-CE2 4.24Å; E252-F265 HydrophobicContact CG-CZ 3.86Å; Q255-F265 HydrophobicContact CB-CD1 3.69Å; Q255-F265 HydrophobicContact CB-CD2 3.68Å; Q255-F265 HydrophobicContact CB-CE1 3.61Å; Q255-F265 HydrophobicContact CB-CE2 3.61Å; Q255-F265 HydrophobicContact CB-CG 3.71Å; Q255-F265 HydrophobicContact CB-CZ 3.57Å; Q255-F265 HydrophobicContact CG-CE1 4.46Å; I258-F265 HydrophobicContact CD1-CB 4.07Å; I258-F265 HydrophobicContact CG1-CB 4.03Å | ||
| 266 | I | 97.3 | Very high | 93.3 | Very high | 47 Ų | 47 | 45.6 Ų | 45.6 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | trans | -119 | 121.5 | 171.4 | -61.5 | 172.7 | 0 | 0 | 0 | 107.2 | K231 I234 A271 | K231-I266 HydrophobicContact CB-CD1 3.59Å; K231-I266 HydrophobicContact CD-CD1 4.26Å; K231-I266 HydrophobicContact CG-CD1 4Å; I234-I266 HydrophobicContact CD1-CB 4.24Å; I234-I266 HydrophobicContact CD1-CG2 4.45Å; I266-A271 HydrophobicContact CG2-CB 4.24Å | ||
| 267 | S | 98.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | trans | -70.9 | 148.9 | 176 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | R122 D123 E252 K269 R270 A271 | R122-S267 VanDerWaalsContact NH2-CB 3.28Å; D123-S267 PolarHBondContact OD1-OG 3.25Å; D123-S267 PolarHBondContact OD2-OG 2.97Å; D123-S267 VanDerWaalsContact OD2-OG 3.05Å; E252-S267 WeakPolarHBondContact OE1-CA 3.31Å; S267-K269 PolarHBondContact O-N 3.19Å; S267-R270 PolarHBondContact O-N 3.03Å; S267-R270 VanDerWaalsContact OG-CB 3.24Å; S267-R270 WeakPolarHBondContact OG-CB 3.17Å; S267-R270 PolarHBondContact OG-N 3.43Å; S267-A271 PolarHBondContact O-N 3.34Å | ||
| 268 | F | 98.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.6 | -33.3 | 171.4 | -88.4 | -104.9 | 0 | 0 | 0 | 111.3 | V218 N220 I234 V237 L238 V248 A250 E252 L272 L285 | V218-F268 HydrophobicContact CB-CE1 4.28Å; V218-F268 HydrophobicContact CB-CE2 4.33Å; V218-F268 HydrophobicContact CB-CZ 3.74Å; V218-F268 HydrophobicContact CG1-CE1 4.47Å; V218-F268 HydrophobicContact CG1-CE2 4.12Å; V218-F268 HydrophobicContact CG1-CZ 3.56Å; V218-F268 HydrophobicContact CG2-CE1 4.16Å; V218-F268 HydrophobicContact CG2-CZ 4.05Å; N220-F268 HydrophobicContact CB-CE2 4.21Å; I234-F268 HydrophobicContact CB-CZ 4.41Å; I234-F268 HydrophobicContact CD1-CE2 4.5Å; I234-F268 HydrophobicContact CG1-CE2 4.1Å; I234-F268 HydrophobicContact CG1-CZ 4.1Å; I234-F268 HydrophobicContact CG2-CD1 3.89Å; I234-F268 HydrophobicContact CG2-CD2 4.17Å; I234-F268 HydrophobicContact CG2-CE1 3.81Å; I234-F268 HydrophobicContact CG2-CE2 4.1Å; I234-F268 HydrophobicContact CG2-CG 4.05Å; I234-F268 HydrophobicContact CG2-CZ 3.89Å; V237-F268 HydrophobicContact CG1-CE1 4.29Å; L238-F268 HydrophobicContact CD1-CD1 4.46Å; L238-F268 HydrophobicContact CD2-CD1 3.79Å; L238-F268 HydrophobicContact CD2-CE1 4.43Å; L238-F268 HydrophobicContact CG-CD1 4.08Å; L238-F268 HydrophobicContact CG-CE1 4.41Å; V248-F268 HydrophobicContact CG1-CD1 3.87Å; V248-F268 HydrophobicContact CG1-CE1 4.09Å; A250-F268 HydrophobicContact CB-CB 3.78Å; A250-F268 HydrophobicContact CB-CD1 4.28Å; A250-F268 HydrophobicContact CB-CD2 3.73Å; A250-F268 HydrophobicContact CB-CE2 4.45Å; A250-F268 HydrophobicContact CB-CG 3.65Å; E252-F268 PolarHBondContact OE1-N 3.12Å; F268-L272 WeakPolarHBondContact O-CB 3.44Å; F268-L272 PolarHBondContact O-N 3.3Å; F268-L285 HydrophobicContact CB-CD1 3.83Å; F268-L285 HydrophobicContact CB-CD2 3.89Å; F268-L285 HydrophobicContact CG-CD1 4.48Å |
| 269 | K | 98.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 8% | 0.078 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 173.9 | 177.7 | 173.7 | 176.3 | -178.6 | 0 | 111.9 | I119 L125 S126 A127 S267 L272 Y273 L285 E307 V309 | I119-K269 HydrophobicContact CG2-CD 3.82Å; L125-K269 HydrophobicContact CD1-CG 4.4Å; S126-K269 PolarHBondContact O-NZ 2.6Å; A127-K269 VanDerWaalsContact CB-NZ 3.33Å; S267-K269 PolarHBondContact O-N 3.19Å; K269-L272 PolarHBondContact O-N 3.47Å; K269-Y273 PolarHBondContact O-N 3.26Å; K269-L285 HydrophobicContact CB-CD2 4.32Å; K269-E307 VanDerWaalsContact CD-OE2 3.24Å; K269-E307 WeakPolarHBondContact CD-OE2 3.22Å; K269-E307 IonicContact NZ-OE1 3.61Å; K269-E307 PolarHBondContact NZ-OE1 3.18Å; K269-E307 IonicContact NZ-OE2 3.31Å; K269-V309 HydrophobicContact CD-CG2 4.45Å |
| 270 | R | 98.2 | Very high | 93.7 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 178.2 | 176.3 | 59.9 | -166.7 | -155.9 | 13.4 | 111.5 | D123 S267 L272 Y273 D274 | D123-R270 HydrophobicContact CB-CB 4.26Å; D123-R270 WeakPolarHBondContact O-CD 3.4Å; D123-R270 PolarHBondContact O-NH1 3.22Å; S267-R270 PolarHBondContact O-N 3.03Å; S267-R270 VanDerWaalsContact OG-CB 3.24Å; S267-R270 WeakPolarHBondContact OG-CB 3.17Å; S267-R270 PolarHBondContact OG-N 3.43Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 2.96Å; R270-Y273 PolarHBondContact O-N 2.98Å; R270-D274 IonicContact CZ-OD1 3.81Å; R270-D274 IonicContact CZ-OD2 3.79Å; R270-D274 IonicContact NE-OD1 2.86Å; R270-D274 PolarHBondContact NE-OD1 3.01Å; R270-D274 IonicContact NE-OD2 2.7Å; R270-D274 PolarHBondContact NE-OD2 2.91Å; R270-D274 IonicContact NH2-OD1 3.23Å; R270-D274 PolarHBondContact NH2-OD1 2.93Å; R270-D274 IonicContact NH2-OD2 3.95Å; R270-D274 PolarHBondContact O-N 3.35Å |
| 271 | A | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I234 L238 I266 S267 Y273 D274 I275 | I234-A271 HydrophobicContact CB-CB 4.28Å; I234-A271 HydrophobicContact CG2-CB 3.4Å; L238-A271 HydrophobicContact CD1-CB 3.82Å; I266-A271 HydrophobicContact CG2-CB 4.24Å; S267-A271 PolarHBondContact O-N 3.34Å; A271-Y273 PolarHBondContact O-N 3.22Å; A271-D274 PolarHBondContact O-N 3.14Å; A271-I275 WeakPolarHBondContact O-CG1 3.24Å; A271-I275 PolarHBondContact O-N 3.32Å; A271-I275 VanDerWaalsContact O-N 3.15Å |
| 272 | L | 98.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 176 | 179.3 | 57.7 | 0 | 0 | 0 | 112 | L238 F268 K269 R270 I275 I279 S280 L283 L285 V309 | L238-L272 HydrophobicContact CD1-CB 3.99Å; L238-L272 HydrophobicContact CD2-CB 4.38Å; L238-L272 HydrophobicContact CD2-CD1 4.35Å; F268-L272 WeakPolarHBondContact O-CB 3.44Å; F268-L272 PolarHBondContact O-N 3.3Å; K269-L272 PolarHBondContact O-N 3.47Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 2.96Å; L272-I275 PolarHBondContact O-N 2.89Å; L272-I279 HydrophobicContact CD1-CG2 3.91Å; L272-I279 WeakPolarHBondContact CD1-O 3.25Å; L272-S280 WeakPolarHBondContact O-CB 3.48Å; L272-L283 HydrophobicContact CD1-CB 4.13Å; L272-L283 HydrophobicContact CD1-CD2 3.99Å; L272-L285 HydrophobicContact CD2-CB 4.25Å; L272-L285 HydrophobicContact CD2-CD2 4.08Å; L272-V309 HydrophobicContact CD2-CG1 4.13Å |
| 273 | Y | 98.2 | Very high | 96.5 | Very high | 141 Ų | 141 | 49.2 Ų | 49.2 | 55% | 0.553 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.2 | -46 | 175.4 | -179.4 | -90.7 | 0 | 0 | 0 | 112 | L125 K269 R270 A271 I275 G276 | L125-Y273 VanDerWaalsContact CD1-CB 3.44Å; L125-Y273 HydrophobicContact CD1-CD1 4.14Å; L125-Y273 HydrophobicContact CD1-CD2 4.19Å; L125-Y273 HydrophobicContact CD1-CG 3.66Å; L125-Y273 HydrophobicContact CD2-CD1 3.46Å; L125-Y273 VanDerWaalsContact CD2-CD1 3.46Å; L125-Y273 HydrophobicContact CD2-CD2 3.61Å; L125-Y273 HydrophobicContact CD2-CE1 3.56Å; L125-Y273 HydrophobicContact CD2-CE2 3.7Å; L125-Y273 HydrophobicContact CD2-CG 3.48Å; L125-Y273 VanDerWaalsContact CD2-CG 3.48Å; L125-Y273 HydrophobicContact CG-CD1 4.42Å; L125-Y273 HydrophobicContact CG-CG 4.23Å; K269-Y273 PolarHBondContact O-N 3.26Å; R270-Y273 PolarHBondContact O-N 2.98Å; A271-Y273 PolarHBondContact O-N 3.22Å; Y273-I275 PolarHBondContact O-N 3.45Å; Y273-G276 PolarHBondContact O-N 2.88Å |
| 274 | D | 97.9 | Very high | 97.7 | Very high | 58 Ų | 58 | 48.1 Ų | 48.1 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -25.4 | -178.4 | -76.2 | -15.6 | 0 | 0 | 0 | 113.2 | K231 R270 A271 G276 | K231-D274 VanDerWaalsContact CE-OD2 3.26Å; K231-D274 WeakPolarHBondContact CE-OD2 3.47Å; K231-D274 IonicContact NZ-OD2 2.82Å; K231-D274 PolarHBondContact NZ-OD2 2.97Å; R270-D274 IonicContact CZ-OD1 3.81Å; R270-D274 IonicContact CZ-OD2 3.79Å; R270-D274 IonicContact NE-OD1 2.86Å; R270-D274 PolarHBondContact NE-OD1 3.01Å; R270-D274 IonicContact NE-OD2 2.7Å; R270-D274 PolarHBondContact NE-OD2 2.91Å; R270-D274 IonicContact NH2-OD1 3.23Å; R270-D274 PolarHBondContact NH2-OD1 2.93Å; R270-D274 IonicContact NH2-OD2 3.95Å; R270-D274 PolarHBondContact O-N 3.35Å; A271-D274 PolarHBondContact O-N 3.14Å; D274-G276 VanDerWaalsContact C-N 3.31Å |
| 275 | I | 98.2 | Very high | 98.2 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 21% | 0.21 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 172.7 | -67.9 | 167 | 0 | 0 | 0 | 111.2 | T235 L238 K239 A271 L272 Y273 I279 | T235-I275 HydrophobicContact CG2-CD1 4.03Å; T235-I275 HydrophobicContact CG2-CG1 3.8Å; L238-I275 HydrophobicContact CB-CD1 3.65Å; L238-I275 HydrophobicContact CD1-CD1 3.79Å; L238-I275 HydrophobicContact CG-CD1 4.39Å; K239-I275 HydrophobicContact CG-CD1 4.46Å; A271-I275 WeakPolarHBondContact O-CG1 3.24Å; A271-I275 PolarHBondContact O-N 3.32Å; A271-I275 VanDerWaalsContact O-N 3.15Å; L272-I275 PolarHBondContact O-N 2.89Å; Y273-I275 PolarHBondContact O-N 3.45Å; I275-I279 HydrophobicContact CD1-CG2 4.43Å; I275-I279 HydrophobicContact CG2-CB 3.94Å; I275-I279 HydrophobicContact CG2-CD1 4Å; I275-I279 HydrophobicContact CG2-CG1 4.38Å; I275-I279 HydrophobicContact CG2-CG2 4.15Å |
| 276 | G | 97.2 | Very high | 98.3 | Very high | 25 Ų | 25 | 43.8 Ų | 43.8 | 26% | 0.258 | 23% | 0.226 | S | C | . | . | trans | 64.1 | -169.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y273 D274 S280 | Y273-G276 PolarHBondContact O-N 2.88Å; D274-G276 VanDerWaalsContact C-N 3.31Å; G276-S280 WeakPolarHBondContact CA-OG 3.3Å | ||
| 277 | G | 97.7 | Very high | 98.3 | Very high | 60 Ų | 60 | 41.7 Ų | 41.7 | 62% | 0.619 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | 63.2 | -154.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I279 S280 | G277-I279 VanDerWaalsContact C-N 3.27Å; G277-I279 PolarHBondContact O-N 3.28Å; G277-S280 PolarHBondContact O-N 2.92Å; G277-S280 PolarHBondContact O-OG 3.36Å; G277-S280 VanDerWaalsContact O-OG 3.05Å |
| 278 | R | 97.9 | Very high | 98.3 | Very high | 159 Ų | 159 | 41.7 Ų | 41.7 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64.5 | -31.5 | -178.4 | -67.4 | -177.6 | 62.2 | -160.8 | -8.9 | 113 | Y242 S280 T281 E282 | Y242-R278 WeakPolarHBondContact OH-CB 3.47Å; R278-S280 VanDerWaalsContact C-N 3.32Å; R278-S280 PolarHBondContact O-N 3.04Å; R278-T281 PolarHBondContact O-N 2.65Å; R278-T281 PolarHBondContact O-OG1 3.46Å; R278-E282 IonicContact CZ-OE1 2.69Å; R278-E282 IonicContact CZ-OE2 3.29Å; R278-E282 IonicContact NE-OE1 3.58Å; R278-E282 PolarHBondContact NE-OE1 2.95Å; R278-E282 IonicContact NE-OE2 3.78Å; R278-E282 PolarHBondContact NE-OE2 2.82Å; R278-E282 IonicContact NH2-OE1 3.39Å; R278-E282 PolarHBondContact NH2-OE1 3.32Å; R278-E282 IonicContact NH2-OE2 2.69Å; R278-E282 PolarHBondContact NH2-OE2 3.32Å; R278-E282 VanDerWaalsContact O-CB 3.22Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 WeakPolarHBondContact O-CG 3.45Å; R278-E282 PolarHBondContact O-N 2.84Å |
| 279 | I | 98.3 | Very high | 98.3 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 16% | 0.159 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -47.3 | -179.3 | -55.1 | -171.8 | 0 | 0 | 0 | 109.8 | K239 Y242 L272 I275 G277 T281 L283 | K239-I279 HydrophobicContact CG-CD1 3.9Å; Y242-I279 HydrophobicContact CD1-CB 4.49Å; Y242-I279 HydrophobicContact CD1-CD1 3.98Å; Y242-I279 HydrophobicContact CD1-CG1 3.57Å; Y242-I279 HydrophobicContact CD2-CG1 4.37Å; Y242-I279 HydrophobicContact CD2-CG2 4.46Å; Y242-I279 HydrophobicContact CE1-CG1 3.82Å; Y242-I279 HydrophobicContact CG-CB 4.29Å; Y242-I279 HydrophobicContact CG-CD1 4.41Å; Y242-I279 HydrophobicContact CG-CG1 3.84Å; Y242-I279 HydrophobicContact CG-CG2 4.12Å; L272-I279 HydrophobicContact CD1-CG2 3.91Å; L272-I279 WeakPolarHBondContact CD1-O 3.25Å; I275-I279 HydrophobicContact CD1-CG2 4.43Å; I275-I279 HydrophobicContact CG2-CB 3.94Å; I275-I279 HydrophobicContact CG2-CD1 4Å; I275-I279 HydrophobicContact CG2-CG1 4.38Å; I275-I279 HydrophobicContact CG2-CG2 4.15Å; G277-I279 VanDerWaalsContact C-N 3.27Å; G277-I279 PolarHBondContact O-N 3.28Å; I279-T281 VanDerWaalsContact C-N 3.27Å; I279-T281 PolarHBondContact O-N 2.98Å; I279-L283 HydrophobicContact CG2-CB 4.4Å; I279-L283 HydrophobicContact CG2-CD2 4.33Å; I279-L283 VanDerWaalsContact O-CB 3.22Å; I279-L283 WeakPolarHBondContact O-CB 3.48Å; I279-L283 PolarHBondContact O-N 2.77Å |
| 280 | S | 97.9 | Very high | 98.3 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -24.2 | -176.9 | 70.4 | 0 | 0 | 0 | 0 | 114.2 | L272 G276 G277 R278 N310 | L272-S280 WeakPolarHBondContact O-CB 3.48Å; G276-S280 WeakPolarHBondContact CA-OG 3.3Å; G277-S280 PolarHBondContact O-N 2.92Å; G277-S280 PolarHBondContact O-OG 3.36Å; G277-S280 VanDerWaalsContact O-OG 3.05Å; R278-S280 VanDerWaalsContact C-N 3.32Å; R278-S280 PolarHBondContact O-N 3.04Å; S280-N310 PolarHBondContact O-ND2 3.28Å |
| 281 | T | 97.7 | Very high | 98.3 | Very high | 90 Ų | 90 | 37.8 Ų | 37.8 | 55% | 0.552 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -103.8 | -12.6 | -177.4 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | R278 I279 N310 | R278-T281 PolarHBondContact O-N 2.65Å; R278-T281 PolarHBondContact O-OG1 3.46Å; I279-T281 VanDerWaalsContact C-N 3.27Å; I279-T281 PolarHBondContact O-N 2.98Å; T281-N310 VanDerWaalsContact C-CG 3.48Å; T281-N310 VanDerWaalsContact O-CG 3.31Å; T281-N310 PolarHBondContact O-OD1 2.81Å |
| 282 | E | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 38 Ų | 38 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -119.1 | -27.9 | -175.1 | -63.9 | 177.1 | -157.2 | 0 | 0 | 113.4 | Y242 R278 Q284 | Y242-E282 HydrophobicContact CE2-CB 3.86Å; Y242-E282 PolarHBondContact OH-OE2 2.92Å; R278-E282 IonicContact CZ-OE1 2.69Å; R278-E282 IonicContact CZ-OE2 3.29Å; R278-E282 IonicContact NE-OE1 3.58Å; R278-E282 PolarHBondContact NE-OE1 2.95Å; R278-E282 IonicContact NE-OE2 3.78Å; R278-E282 PolarHBondContact NE-OE2 2.82Å; R278-E282 IonicContact NH2-OE1 3.39Å; R278-E282 PolarHBondContact NH2-OE1 3.32Å; R278-E282 IonicContact NH2-OE2 2.69Å; R278-E282 PolarHBondContact NH2-OE2 3.32Å; R278-E282 VanDerWaalsContact O-CB 3.22Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 WeakPolarHBondContact O-CG 3.45Å; R278-E282 PolarHBondContact O-N 2.84Å; E282-Q284 PolarHBondContact O-N 3.41Å |
| 283 | L | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | -69.5 | 121.5 | -179.2 | -179.4 | 60.7 | 0 | 0 | 0 | 110.7 | L238 A241 Y242 L246 V248 L272 I279 N310 | L238-L283 HydrophobicContact CB-CD2 4.07Å; L238-L283 HydrophobicContact CD2-CD2 3.62Å; L238-L283 HydrophobicContact CG-CD2 4.48Å; L238-L283 WeakPolarHBondContact O-CD2 3.5Å; A241-L283 HydrophobicContact CB-CD1 4.04Å; A241-L283 HydrophobicContact CB-CD2 4.38Å; Y242-L283 HydrophobicContact CD2-CB 4.21Å; L246-L283 WeakPolarHBondContact O-CD1 3.38Å; V248-L283 HydrophobicContact CG2-CD1 4.31Å; V248-L283 HydrophobicContact CG2-CD2 4.16Å; V248-L283 HydrophobicContact CG2-CG 4.44Å; L272-L283 HydrophobicContact CD1-CB 4.13Å; L272-L283 HydrophobicContact CD1-CD2 3.99Å; I279-L283 HydrophobicContact CG2-CB 4.4Å; I279-L283 HydrophobicContact CG2-CD2 4.33Å; I279-L283 VanDerWaalsContact O-CB 3.22Å; I279-L283 WeakPolarHBondContact O-CB 3.48Å; I279-L283 PolarHBondContact O-N 2.77Å; L283-N310 WeakPolarHBondContact O-CB 3.24Å; L283-N310 PolarHBondContact O-ND2 2.68Å | ||
| 284 | Q | 98.8 | Very high | 98.1 | Very high | 58 Ų | 58 | 32.4 Ų | 32.4 | 27% | 0.271 | 18% | 0.181 | S | C | . | . | trans | -74.8 | 123.7 | 176.4 | -67.2 | 171.3 | 10.6 | 0 | 0 | 110.4 | V247 V248 E282 V309 N310 F311 | V247-Q284 HydrophobicContact CG1-CB 4.2Å; V247-Q284 HydrophobicContact CG2-CB 4.19Å; V248-Q284 PolarHBondContact N-O 3.06Å; E282-Q284 PolarHBondContact O-N 3.41Å; Q284-V309 WeakPolarHBondContact CA-O 3.39Å; Q284-N310 WeakPolarHBondContact CG-O 3.44Å; Q284-F311 HydrophobicContact CB-CD2 4.24Å; Q284-F311 HydrophobicContact CB-CE2 3.98Å; Q284-F311 HydrophobicContact CB-CZ 4.26Å | ||
| 285 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126 | -178.8 | 165.8 | 69.4 | 0 | 0 | 0 | 109.8 | V248 A250 F268 K269 L272 V309 | V248-L285 HydrophobicContact CB-CD1 3.87Å; V248-L285 HydrophobicContact CG1-CD1 3.73Å; V248-L285 WeakPolarHBondContact O-CA 3.43Å; A250-L285 HydrophobicContact CB-CD1 3.76Å; F268-L285 HydrophobicContact CB-CD1 3.83Å; F268-L285 HydrophobicContact CB-CD2 3.89Å; F268-L285 HydrophobicContact CG-CD1 4.48Å; K269-L285 HydrophobicContact CB-CD2 4.32Å; L272-L285 HydrophobicContact CD2-CB 4.25Å; L272-L285 HydrophobicContact CD2-CD2 4.08Å; L285-V309 HydrophobicContact CB-CB 4.15Å; L285-V309 PolarHBondContact N-O 2.85Å; L285-V309 PolarHBondContact O-N 2.96Å |
| 286 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 110.4 | 170 | 0 | 0 | 0 | 0 | 0 | 108.7 | I145 V248 A250 F288 E307 L308 F311 | I145-A286 HydrophobicContact CG1-CB 4.24Å; I145-A286 HydrophobicContact CG2-CB 4.15Å; V248-A286 PolarHBondContact O-N 3.39Å; A250-A286 PolarHBondContact N-O 2.86Å; A286-F288 HydrophobicContact CB-CE2 4.44Å; A286-F288 HydrophobicContact CB-CZ 4.01Å; A286-F288 WeakPolarHBondContact O-CE2 3.42Å; A286-E307 WeakPolarHBondContact CA-O 3.42Å; A286-L308 HydrophobicContact CB-CD2 4.03Å; A286-F311 HydrophobicContact CB-CE2 4.26Å; A286-F311 HydrophobicContact CB-CZ 4.28Å |
| 287 | S | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 133.4 | 178.2 | -75.4 | 0 | 0 | 0 | 0 | 110.6 | A250 C306 E307 | A250-S287 WeakPolarHBondContact O-CA 3.46Å; S287-C306 CarbonylContact O-C 3.47Å; S287-C306 WeakPolarHBondContact O-CA 3.48Å; S287-C306 PolarHBondContact O-SG 2.97Å; S287-C306 VanDerWaalsContact O-SG 3.39Å; S287-E307 PolarHBondContact N-O 3.18Å; S287-E307 PolarHBondContact O-N 3.01Å |
| 288 | F | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137.3 | -176.6 | -52.2 | -77.8 | 0 | 0 | 0 | 112.2 | A138 A141 V142 I145 L249 A250 E252 A286 C306 | A138-F288 HydrophobicContact CB-CB 4.29Å; A141-F288 HydrophobicContact CB-CD1 3.74Å; A141-F288 HydrophobicContact CB-CE1 4.03Å; V142-F288 HydrophobicContact CG2-CD1 3.96Å; V142-F288 HydrophobicContact CG2-CD2 3.98Å; V142-F288 HydrophobicContact CG2-CE1 3.99Å; V142-F288 HydrophobicContact CG2-CE2 4.03Å; V142-F288 HydrophobicContact CG2-CG 3.96Å; V142-F288 HydrophobicContact CG2-CZ 4.04Å; I145-F288 HydrophobicContact CB-CE1 4.38Å; I145-F288 HydrophobicContact CB-CZ 4.1Å; I145-F288 HydrophobicContact CG1-CE1 3.77Å; I145-F288 HydrophobicContact CG1-CZ 3.87Å; I145-F288 HydrophobicContact CG2-CZ 4.44Å; L249-F288 HydrophobicContact CB-CE2 3.8Å; L249-F288 HydrophobicContact CB-CZ 4.45Å; L249-F288 HydrophobicContact CD2-CE2 4.35Å; L249-F288 HydrophobicContact CD2-CZ 4.32Å; L249-F288 HydrophobicContact CG-CE2 3.86Å; L249-F288 HydrophobicContact CG-CZ 4Å; A250-F288 WeakPolarHBondContact O-CD2 3.39Å; A250-F288 PolarHBondContact O-N 2.86Å; E252-F288 CarbonylContact C-O 3.6Å; E252-F288 PolarHBondContact N-O 2.84Å; E252-F288 VanDerWaalsContact N-O 3.14Å; A286-F288 HydrophobicContact CB-CE2 4.44Å; A286-F288 HydrophobicContact CB-CZ 4.01Å; A286-F288 WeakPolarHBondContact O-CE2 3.42Å; F288-C306 HydrophobicContact CD1-CB 3.81Å; F288-C306 HydrophobicContact CE1-CB 4.06Å; F288-C306 VanDerWaalsContact CE1-SG 3.59Å |
| 289 | M | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.8 | 171.1 | -147.5 | -71.5 | -81.1 | 0 | 0 | 111.1 | G304 Y305 M337 V340 V341 | M289-G304 VanDerWaalsContact O-CA 3.24Å; M289-G304 WeakPolarHBondContact O-CA 3.04Å; M289-Y305 HydrophobicContact CB-CD1 3.92Å; M289-Y305 HydrophobicContact CB-CD2 4.24Å; M289-Y305 HydrophobicContact CB-CE1 3.45Å; M289-Y305 VanDerWaalsContact CB-CE1 3.45Å; M289-Y305 HydrophobicContact CB-CE2 3.78Å; M289-Y305 HydrophobicContact CB-CG 4.29Å; M289-Y305 HydrophobicContact CE-CD1 4.38Å; M289-Y305 HydrophobicContact CE-CE1 3.77Å; M289-Y305 HydrophobicContact CG-CE1 3.99Å; M289-Y305 PolarHBondContact N-O 3.39Å; M289-Y305 PolarHBondContact O-N 2.94Å; M289-M337 HydrophobicContact CE-CE 3.57Å; M289-M337 HydrophobicContact CE-SD 3.27Å; M289-M337 WeakPolarHBondContact CE-SD 3.17Å; M289-M337 HydrophobicContact SD-CE 4.47Å; M289-V340 HydrophobicContact CE-CG1 3.63Å; M289-V341 HydrophobicContact CE-CG1 4.48Å |
| 290 | S | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 141.3 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 112 | S292 G303 | S290-S292 PolarHBondContact O-N 3.26Å; S290-S292 VanDerWaalsContact OG-CB 3.28Å; S290-S292 WeakPolarHBondContact OG-CB 3.38Å; S290-S292 PolarHBondContact OG-N 2.94Å; S290-S292 PolarHBondContact OG-OG 2.91Å; S290-G303 WeakPolarHBondContact CA-O 3.45Å; S290-G303 PolarHBondContact OG-O 3.34Å |
| 291 | C | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -2.4 | 173.6 | 70.9 | 0 | 0 | 0 | 0 | 112.5 | K293 M296 E298 G303 T336 M337 V340 | C291-K293 VanDerWaalsContact C-N 3.33Å; C291-K293 PolarHBondContact O-N 3.21Å; C291-M296 VanDerWaalsContact O-CG 3.31Å; C291-M296 WeakPolarHBondContact O-CG 3.5Å; C291-E298 HydrophobicContact CB-CB 4.45Å; C291-E298 WeakPolarHBondContact O-CB 3.33Å; C291-E298 PolarHBondContact O-N 3.01Å; C291-G303 PolarHBondContact N-O 2.99Å; C291-G303 WeakPolarHBondContact SG-CA 3.16Å; C291-G303 PolarHBondContact SG-N 2.95Å; C291-G303 PolarHBondContact SG-O 3.47Å; C291-T336 HydrophobicContact CB-CG2 3.83Å; C291-M337 HydrophobicContact CB-CE 3.77Å; C291-M337 VanDerWaalsContact N-CE 3.28Å; C291-V340 HydrophobicContact CB-CG2 4.13Å |
| 292 | S | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -20.4 | -174.7 | -59.8 | 0 | 0 | 0 | 0 | 114.4 | S290 G297 C299 | S290-S292 PolarHBondContact O-N 3.26Å; S290-S292 VanDerWaalsContact OG-CB 3.28Å; S290-S292 WeakPolarHBondContact OG-CB 3.38Å; S290-S292 PolarHBondContact OG-N 2.94Å; S290-S292 PolarHBondContact OG-OG 2.91Å; S292-G297 CarbonylContact O-C 3.5Å; S292-C299 PolarHBondContact O-SG 3.47Å |
| 293 | K | 96.7 | Very high | 97.5 | Very high | 28 Ų | 28 | 15.9 Ų | 15.9 | 12% | 0.122 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -121.9 | 176.9 | -172 | -48.5 | -59.9 | 173.7 | 61 | 0 | 109.3 | V253 Y254 C291 M296 M391 | V253-K293 HydrophobicContact CB-CG 4.41Å; V253-K293 HydrophobicContact CG2-CG 4.32Å; V253-K293 WeakPolarHBondContact O-CB 3.4Å; Y254-K293 HydrophobicContact CD1-CB 3.87Å; Y254-K293 HydrophobicContact CD1-CG 4.19Å; Y254-K293 HydrophobicContact CE1-CB 3.76Å; Y254-K293 HydrophobicContact CE1-CD 3.74Å; Y254-K293 HydrophobicContact CE1-CG 3.73Å; Y254-K293 WeakPolarHBondContact OH-CD 3.48Å; Y254-K293 WeakPolarHBondContact OH-CE 3.46Å; Y254-K293 PolarHBondContact OH-NZ 3.31Å; C291-K293 VanDerWaalsContact C-N 3.33Å; C291-K293 PolarHBondContact O-N 3.21Å; K293-M296 WeakPolarHBondContact O-CG 3.3Å; K293-M391 HydrophobicContact CB-CE 4.46Å; K293-M391 HydrophobicContact CD-CE 3.61Å |
| 294 | G | 94.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -165.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N257 M296 G297 | N257-G294 WeakPolarHBondContact OD1-CA 3.44Å; N257-G294 PolarHBondContact OD1-N 3.01Å; G294-M296 PolarHBondContact O-N 2.84Å; G294-G297 PolarHBondContact O-N 3.03Å |
| 295 | Y | 95.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 1% | 0.012 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.2 | 179.2 | 67.9 | -89.2 | 0 | 0 | 0 | 113 | Q56 I59 H256 F354 K358 | Q56-Y295 PolarHBondContact NE2-O 2.86Å; I59-Y295 HydrophobicContact CD1-CD2 3.96Å; I59-Y295 HydrophobicContact CG1-CD2 3.92Å; I59-Y295 HydrophobicContact CG1-CE2 4.42Å; I59-Y295 WeakPolarHBondContact CG1-O 3.41Å; H256-Y295 HydrophobicContact CB-CD1 4.26Å; H256-Y295 HydrophobicContact CB-CE1 4.45Å; Y295-F354 HydrophobicContact CE2-CE1 4.46Å; Y295-F354 AromaticContact CE2-CE2 3.87Å; Y295-F354 HydrophobicContact CE2-CE2 3.87Å; Y295-F354 AromaticContact CE2-CZ 3.54Å; Y295-F354 HydrophobicContact CE2-CZ 3.54Å; Y295-F354 AromaticContact CZ-CZ 3.85Å; Y295-F354 WeakPolarHBondContact OH-CZ 3.48Å; Y295-K358 HydrophobicContact CD1-CD 3.97Å; Y295-K358 HydrophobicContact CD1-CG 3.88Å; Y295-K358 HydrophobicContact CD2-CB 3.92Å; Y295-K358 HydrophobicContact CD2-CD 4.14Å; Y295-K358 HydrophobicContact CD2-CG 3.82Å; Y295-K358 HydrophobicContact CE1-CD 3.89Å; Y295-K358 HydrophobicContact CE1-CG 4.3Å; Y295-K358 HydrophobicContact CE2-CB 4.39Å; Y295-K358 HydrophobicContact CE2-CD 4.05Å; Y295-K358 HydrophobicContact CE2-CG 4.24Å; Y295-K358 HydrophobicContact CG-CB 4.18Å; Y295-K358 HydrophobicContact CG-CD 4.12Å; Y295-K358 HydrophobicContact CG-CG 3.64Å |
| 296 | M | 95.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -45.7 | 177.4 | 51.1 | -73.5 | -85.7 | 0 | 0 | 112.5 | I62 C291 K293 G294 E298 V340 | I62-M296 HydrophobicContact CD1-CB 3.76Å; C291-M296 VanDerWaalsContact O-CG 3.31Å; C291-M296 WeakPolarHBondContact O-CG 3.5Å; K293-M296 WeakPolarHBondContact O-CG 3.3Å; G294-M296 PolarHBondContact O-N 2.84Å; M296-E298 VanDerWaalsContact C-N 3.26Å; M296-E298 HydrophobicContact CB-CG 4.49Å; M296-E298 WeakPolarHBondContact O-CG 3.35Å; M296-E298 PolarHBondContact O-N 3.32Å; M296-E298 VanDerWaalsContact O-N 3.16Å; M296-V340 HydrophobicContact CB-CG2 4Å; M296-V340 HydrophobicContact CE-CB 4.11Å; M296-V340 HydrophobicContact CE-CG1 3.33Å; M296-V340 HydrophobicContact CE-CG2 3.78Å; M296-V340 HydrophobicContact CG-CG2 3.97Å |
| 297 | G | 94.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | 62.2 | 21.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S292 G294 C299 | S292-G297 CarbonylContact O-C 3.5Å; G294-G297 PolarHBondContact O-N 3.03Å; G297-C299 VanDerWaalsContact C-N 3.27Å; G297-C299 PolarHBondContact O-N 3.33Å | ||
| 298 | E | 97.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | trans | -84.5 | 53.9 | -167.8 | -65.8 | -62.5 | 170 | 0 | 0 | 113.9 | H52 I62 R63 C291 M296 G300 L301 T336 | H52-E298 IonicContact CE1-OE1 3.03Å; H52-E298 PolarHBondContact CE1-OE1 3.25Å; H52-E298 IonicContact CE1-OE2 3.97Å; H52-E298 PolarHBondContact CE1-OE2 3.14Å; H52-E298 IonicContact ND1-OE2 3.8Å; I62-E298 HydrophobicContact CD1-CG 4.38Å; I62-E298 HydrophobicContact CG2-CG 4.29Å; R63-E298 IonicContact CZ-OE1 3.76Å; R63-E298 IonicContact CZ-OE2 3.18Å; R63-E298 VanDerWaalsContact CZ-OE2 3.27Å; R63-E298 IonicContact NE-OE1 2.7Å; R63-E298 IonicContact NH1-OE1 3.04Å; R63-E298 IonicContact NH1-OE2 3.65Å; R63-E298 PolarHBondContact NH1-OE2 3.22Å; R63-E298 IonicContact NH2-OE1 2.67Å; R63-E298 PolarHBondContact NH2-OE1 2.73Å; R63-E298 IonicContact NH2-OE2 2.99Å; R63-E298 PolarHBondContact NH2-OE2 2.98Å; C291-E298 HydrophobicContact CB-CB 4.45Å; C291-E298 WeakPolarHBondContact O-CB 3.33Å; C291-E298 PolarHBondContact O-N 3.01Å; M296-E298 VanDerWaalsContact C-N 3.26Å; M296-E298 HydrophobicContact CB-CG 4.49Å; M296-E298 WeakPolarHBondContact O-CG 3.35Å; M296-E298 PolarHBondContact O-N 3.32Å; M296-E298 VanDerWaalsContact O-N 3.16Å; E298-G300 VanDerWaalsContact C-N 3.27Å; E298-G300 PolarHBondContact O-N 3Å; E298-L301 HydrophobicContact CB-CB 4.21Å; E298-L301 HydrophobicContact CB-CD1 3.85Å; E298-L301 HydrophobicContact CB-CG 4.13Å; E298-L301 HydrophobicContact CG-CD1 3.85Å; E298-L301 PolarHBondContact O-N 3.15Å; E298-L301 VanDerWaalsContact O-N 3.17Å; E298-L301 VanDerWaalsContact OE2-CD1 3.3Å; E298-L301 WeakPolarHBondContact OE2-CD1 3.37Å; E298-T336 HydrophobicContact CB-CG2 3.98Å; E298-T336 HydrophobicContact CG-CG2 3.95Å | ||
| 299 | C | 96 | Very high | 97.5 | Very high | 20 Ų | 20 | 14.1 Ų | 14.1 | 14% | 0.135 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -38.4 | -175.7 | -75.1 | 0 | 0 | 0 | 0 | 114.3 | G49 S292 G297 R302 | G49-C299 PolarHBondContact O-SG 3.36Å; S292-C299 PolarHBondContact O-SG 3.47Å; G297-C299 VanDerWaalsContact C-N 3.27Å; G297-C299 PolarHBondContact O-N 3.33Å; C299-R302 WeakPolarHBondContact O-CD 3.27Å; C299-R302 PolarHBondContact O-NH1 3.1Å |
| 300 | G | 97 | Very high | 97.5 | Very high | 68 Ų | 68 | 16.7 Ų | 16.7 | 70% | 0.701 | 10% | 0.099 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -20.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E298 R302 | E298-G300 VanDerWaalsContact C-N 3.27Å; E298-G300 PolarHBondContact O-N 3Å; G300-R302 VanDerWaalsContact C-N 3.32Å |
| 301 | L | 97.6 | Very high | 97.5 | Very high | 35 Ų | 35 | 17 Ų | 17 | 18% | 0.183 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -15.2 | -177.1 | -61.4 | -175.8 | 0 | 0 | 0 | 113.2 | L66 E298 G303 G333 T336 | L66-L301 HydrophobicContact CD1-CD1 3.46Å; L66-L301 VanDerWaalsContact CD1-CD1 3.46Å; E298-L301 HydrophobicContact CB-CB 4.21Å; E298-L301 HydrophobicContact CB-CD1 3.85Å; E298-L301 HydrophobicContact CB-CG 4.13Å; E298-L301 HydrophobicContact CG-CD1 3.85Å; E298-L301 PolarHBondContact O-N 3.15Å; E298-L301 VanDerWaalsContact O-N 3.17Å; E298-L301 VanDerWaalsContact OE2-CD1 3.3Å; E298-L301 WeakPolarHBondContact OE2-CD1 3.37Å; L301-G303 VanDerWaalsContact C-N 3.35Å; L301-G303 PolarHBondContact O-N 3Å; L301-G333 WeakPolarHBondContact O-CA 3.31Å; L301-T336 HydrophobicContact CB-CG2 4.39Å; L301-T336 HydrophobicContact CD1-CG2 3.8Å; L301-T336 VanDerWaalsContact CD1-OG1 3.22Å; L301-T336 WeakPolarHBondContact CD1-OG1 3.44Å |
| 302 | R | 97.8 | Very high | 97.4 | Very high | 96 Ų | 96 | 19.5 Ų | 19.5 | 36% | 0.362 | 12% | 0.116 | S | C | . | . | trans | 55.4 | 44.9 | 172.9 | -46.3 | -48.3 | -58.9 | 161.7 | 1 | 112.7 | N136 G137 C299 G300 | N136-R302 CarbonylContact C-O 3.57Å; N136-R302 WeakPolarHBondContact CA-O 3.4Å; N136-R302 HydrophobicContact CB-CB 4.37Å; N136-R302 PolarHBondContact O-NH2 3.29Å; G137-R302 PolarHBondContact N-O 3.14Å; C299-R302 WeakPolarHBondContact O-CD 3.27Å; C299-R302 PolarHBondContact O-NH1 3.1Å; G300-R302 VanDerWaalsContact C-N 3.32Å | ||
| 303 | G | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S290 C291 L301 G333 | S290-G303 WeakPolarHBondContact CA-O 3.45Å; S290-G303 PolarHBondContact OG-O 3.34Å; C291-G303 PolarHBondContact N-O 2.99Å; C291-G303 WeakPolarHBondContact SG-CA 3.16Å; C291-G303 PolarHBondContact SG-N 2.95Å; C291-G303 PolarHBondContact SG-O 3.47Å; L301-G303 VanDerWaalsContact C-N 3.35Å; L301-G303 PolarHBondContact O-N 3Å; G303-G333 VanDerWaalsContact CA-O 3.25Å; G303-G333 WeakPolarHBondContact CA-O 3.45Å |
| 304 | G | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 162.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L134 S135 M289 | L134-G304 CarbonylContact C-O 3.55Å; L134-G304 WeakPolarHBondContact CA-O 3.21Å; S135-G304 PolarHBondContact N-O 2.88Å; S135-G304 PolarHBondContact O-N 2.75Å; S135-G304 VanDerWaalsContact OG-C 3.28Å; S135-G304 PolarHBondContact OG-O 3.3Å; M289-G304 VanDerWaalsContact O-CA 3.24Å; M289-G304 WeakPolarHBondContact O-CA 3.04Å |
| 305 | Y | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 162.9 | 168.2 | 70.9 | -105.3 | 0 | 0 | 0 | 111.4 | V115 I119 F133 M289 M337 V341 | V115-Y305 HydrophobicContact CG1-CD1 3.71Å; V115-Y305 HydrophobicContact CG1-CD2 3.79Å; V115-Y305 HydrophobicContact CG1-CE1 3.68Å; V115-Y305 HydrophobicContact CG1-CE2 3.81Å; V115-Y305 HydrophobicContact CG1-CG 3.77Å; V115-Y305 HydrophobicContact CG2-CD1 3.85Å; V115-Y305 HydrophobicContact CG2-CE1 4.22Å; V115-Y305 HydrophobicContact CG2-CG 4.35Å; I119-Y305 HydrophobicContact CD1-CE2 4.06Å; F133-Y305 CarbonylContact O-C 3.55Å; F133-Y305 VanDerWaalsContact O-CA 3.27Å; F133-Y305 WeakPolarHBondContact O-CA 3.38Å; M289-Y305 HydrophobicContact CB-CD1 3.92Å; M289-Y305 HydrophobicContact CB-CD2 4.24Å; M289-Y305 HydrophobicContact CB-CE1 3.45Å; M289-Y305 VanDerWaalsContact CB-CE1 3.45Å; M289-Y305 HydrophobicContact CB-CE2 3.78Å; M289-Y305 HydrophobicContact CB-CG 4.29Å; M289-Y305 HydrophobicContact CE-CD1 4.38Å; M289-Y305 HydrophobicContact CE-CE1 3.77Å; M289-Y305 HydrophobicContact CG-CE1 3.99Å; M289-Y305 PolarHBondContact N-O 3.39Å; M289-Y305 PolarHBondContact O-N 2.94Å; Y305-M337 HydrophobicContact CD1-CE 4.39Å; Y305-M337 HydrophobicContact CD1-CG 3.96Å; Y305-M337 HydrophobicContact CD1-SD 3.69Å; Y305-M337 HydrophobicContact CE1-SD 4Å; Y305-V341 HydrophobicContact CE1-CG1 4.08Å |
| 306 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.6 | 163 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | I132 F133 A141 S287 F288 | I132-C306 WeakPolarHBondContact CA-O 3.43Å; F133-C306 HydrophobicContact CD1-CB 4.13Å; F133-C306 HydrophobicContact CE1-CB 3.46Å; F133-C306 VanDerWaalsContact CE1-CB 3.46Å; F133-C306 HydrophobicContact CE2-CB 4.06Å; F133-C306 HydrophobicContact CZ-CB 3.43Å; F133-C306 VanDerWaalsContact CZ-CB 3.43Å; F133-C306 PolarHBondContact N-O 3.35Å; F133-C306 PolarHBondContact O-N 3.26Å; A141-C306 HydrophobicContact CB-CB 3.9Å; S287-C306 CarbonylContact O-C 3.47Å; S287-C306 WeakPolarHBondContact O-CA 3.48Å; S287-C306 PolarHBondContact O-SG 2.97Å; S287-C306 VanDerWaalsContact O-SG 3.39Å; F288-C306 HydrophobicContact CD1-CB 3.81Å; F288-C306 HydrophobicContact CE1-CB 4.06Å; F288-C306 VanDerWaalsContact CE1-SG 3.59Å |
| 307 | E | 98.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.9 | 169.5 | -176.9 | -173.1 | -151.7 | 0 | 0 | 109.5 | I119 N131 I132 K269 A286 S287 V309 | I119-E307 HydrophobicContact CD1-CB 4.23Å; I119-E307 HydrophobicContact CD1-CG 4.39Å; N131-E307 WeakPolarHBondContact O-CA 3.44Å; I132-E307 HydrophobicContact CG1-CB 4.21Å; I132-E307 HydrophobicContact CG1-CG 4.21Å; K269-E307 VanDerWaalsContact CD-OE2 3.24Å; K269-E307 WeakPolarHBondContact CD-OE2 3.22Å; K269-E307 IonicContact NZ-OE1 3.61Å; K269-E307 PolarHBondContact NZ-OE1 3.18Å; K269-E307 IonicContact NZ-OE2 3.31Å; A286-E307 WeakPolarHBondContact CA-O 3.42Å; S287-E307 PolarHBondContact N-O 3.18Å; S287-E307 PolarHBondContact O-N 3.01Å; E307-V309 HydrophobicContact CG-CG2 4.32Å |
| 308 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.9 | 176.4 | -58.1 | 175.3 | 0 | 0 | 0 | 110.6 | N131 F133 I145 A286 F311 Q316 L319 | N131-L308 VanDerWaalsContact CB-O 3.31Å; N131-L308 WeakPolarHBondContact CB-O 3.39Å; N131-L308 PolarHBondContact ND2-O 2.76Å; N131-L308 PolarHBondContact O-N 3.26Å; F133-L308 HydrophobicContact CD1-CD1 4.49Å; F133-L308 HydrophobicContact CE1-CD1 4.46Å; F133-L308 HydrophobicContact CE1-CD2 4.44Å; F133-L308 HydrophobicContact CE1-CG 4.46Å; I145-L308 HydrophobicContact CD1-CD2 3.77Å; A286-L308 HydrophobicContact CB-CD2 4.03Å; L308-F311 HydrophobicContact CB-CB 4.39Å; L308-F311 HydrophobicContact CB-CD2 3.85Å; L308-F311 HydrophobicContact CB-CE2 4.45Å; L308-F311 HydrophobicContact CB-CG 4.26Å; L308-F311 HydrophobicContact CD2-CD2 4Å; L308-F311 HydrophobicContact CD2-CE2 3.85Å; L308-F311 HydrophobicContact CD2-CG 4.4Å; L308-F311 HydrophobicContact CD2-CZ 4.13Å; L308-F311 HydrophobicContact CG-CD2 4.45Å; L308-Q316 HydrophobicContact CD1-CG 4.14Å; L308-L319 HydrophobicContact CD1-CD2 3.65Å |
| 309 | V | 98.6 | Very high | 97.8 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 13% | 0.127 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.2 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | K269 L272 Q284 L285 E307 F311 | K269-V309 HydrophobicContact CD-CG2 4.45Å; L272-V309 HydrophobicContact CD2-CG1 4.13Å; Q284-V309 WeakPolarHBondContact CA-O 3.39Å; L285-V309 HydrophobicContact CB-CB 4.15Å; L285-V309 PolarHBondContact N-O 2.85Å; L285-V309 PolarHBondContact O-N 2.96Å; E307-V309 HydrophobicContact CG-CG2 4.32Å; V309-F311 WeakPolarHBondContact O-CD2 3.28Å; V309-F311 PolarHBondContact O-N 2.92Å; V309-F311 VanDerWaalsContact O-N 3.14Å |
| 310 | N | 98.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 58.7 | 18.3 | 179.1 | -53.1 | -31.8 | 0 | 0 | 0 | 115.9 | S280 T281 L283 Q284 | S280-N310 PolarHBondContact O-ND2 3.28Å; T281-N310 VanDerWaalsContact C-CG 3.48Å; T281-N310 VanDerWaalsContact O-CG 3.31Å; T281-N310 PolarHBondContact O-OD1 2.81Å; L283-N310 WeakPolarHBondContact O-CB 3.24Å; L283-N310 PolarHBondContact O-ND2 2.68Å; Q284-N310 WeakPolarHBondContact CG-O 3.44Å |
| 311 | F | 98.3 | Very high | 97.8 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | trans | -72.5 | 131.3 | 170.2 | -82 | -104.3 | 0 | 0 | 0 | 110.3 | L148 V247 Q284 A286 L308 V309 V315 Q316 | L148-F311 HydrophobicContact CD2-CD1 4.49Å; L148-F311 HydrophobicContact CD2-CE1 4.2Å; V247-F311 HydrophobicContact CG1-CE1 4.37Å; V247-F311 HydrophobicContact CG1-CE2 4.27Å; V247-F311 HydrophobicContact CG1-CZ 3.56Å; Q284-F311 HydrophobicContact CB-CD2 4.24Å; Q284-F311 HydrophobicContact CB-CE2 3.98Å; Q284-F311 HydrophobicContact CB-CZ 4.26Å; A286-F311 HydrophobicContact CB-CE2 4.26Å; A286-F311 HydrophobicContact CB-CZ 4.28Å; L308-F311 HydrophobicContact CB-CB 4.39Å; L308-F311 HydrophobicContact CB-CD2 3.85Å; L308-F311 HydrophobicContact CB-CE2 4.45Å; L308-F311 HydrophobicContact CB-CG 4.26Å; L308-F311 HydrophobicContact CD2-CD2 4Å; L308-F311 HydrophobicContact CD2-CE2 3.85Å; L308-F311 HydrophobicContact CD2-CG 4.4Å; L308-F311 HydrophobicContact CD2-CZ 4.13Å; L308-F311 HydrophobicContact CG-CD2 4.45Å; V309-F311 WeakPolarHBondContact O-CD2 3.28Å; V309-F311 PolarHBondContact O-N 2.92Å; V309-F311 VanDerWaalsContact O-N 3.14Å; F311-V315 HydrophobicContact CD1-CG1 4.21Å; F311-Q316 HydrophobicContact CB-CG 3.66Å; F311-Q316 PolarHBondContact O-NE2 3.17Å | ||
| 312 | P | 97.5 | Very high | 97.7 | Very high | 53 Ų | 53 | 47 Ų | 47 | 34% | 0.344 | 23% | 0.232 | S | C | . | . | trans | -55.6 | 141.5 | 173.5 | -26.4 | 35.7 | 0 | 0 | 0 | 111.9 | D314 V315 Q316 | P312-D314 VanDerWaalsContact C-N 3.31Å; P312-D314 WeakPolarHBondContact CB-OD1 3.36Å; P312-D314 PolarHBondContact O-N 2.89Å; P312-V315 HydrophobicContact CB-CB 4.26Å; P312-V315 HydrophobicContact CB-CG2 3.98Å; P312-V315 HydrophobicContact CG-CG2 4.2Å; P312-V315 WeakPolarHBondContact O-CB 3.37Å; P312-V315 PolarHBondContact O-N 2.87Å; P312-V315 VanDerWaalsContact O-N 3.11Å; P312-Q316 WeakPolarHBondContact O-CG 3.25Å; P312-Q316 PolarHBondContact O-N 2.93Å | ||
| 313 | E | 96.4 | Very high | 97.6 | Very high | 141 Ų | 141 | 42.7 Ų | 42.7 | 66% | 0.659 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.8 | -41.2 | -174.7 | -171.2 | -176.3 | 167.2 | 0 | 0 | 112.3 | V315 Q316 Q317 | E313-V315 VanDerWaalsContact C-N 3.32Å; E313-V315 PolarHBondContact O-N 2.93Å; E313-Q316 PolarHBondContact O-N 3.19Å; E313-Q317 VanDerWaalsContact O-CG 3.3Å; E313-Q317 WeakPolarHBondContact O-CG 3.13Å; E313-Q317 PolarHBondContact O-N 3.47Å; E313-Q317 PolarHBondContact OE1-NE2 2.71Å |
| 314 | D | 97.3 | Very high | 97.4 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -37.6 | 176.9 | 64.3 | -27.7 | 0 | 0 | 0 | 112.3 | P312 Q317 Q318 | P312-D314 VanDerWaalsContact C-N 3.31Å; P312-D314 WeakPolarHBondContact CB-OD1 3.36Å; P312-D314 PolarHBondContact O-N 2.89Å; D314-Q317 PolarHBondContact O-N 2.62Å; D314-Q318 WeakPolarHBondContact O-CG 3.27Å; D314-Q318 PolarHBondContact O-N 2.93Å |
| 315 | V | 97.6 | Very high | 97.2 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 173.3 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | L148 F311 P312 E313 Q317 Q318 L319 | L148-V315 HydrophobicContact CD1-CG1 4.18Å; L148-V315 HydrophobicContact CD2-CG1 4.01Å; L148-V315 HydrophobicContact CG-CG1 4.34Å; F311-V315 HydrophobicContact CD1-CG1 4.21Å; P312-V315 HydrophobicContact CB-CB 4.26Å; P312-V315 HydrophobicContact CB-CG2 3.98Å; P312-V315 HydrophobicContact CG-CG2 4.2Å; P312-V315 WeakPolarHBondContact O-CB 3.37Å; P312-V315 PolarHBondContact O-N 2.87Å; P312-V315 VanDerWaalsContact O-N 3.11Å; E313-V315 VanDerWaalsContact C-N 3.32Å; E313-V315 PolarHBondContact O-N 2.93Å; V315-Q317 VanDerWaalsContact C-N 3.3Å; V315-Q317 PolarHBondContact O-N 3.47Å; V315-Q318 PolarHBondContact O-N 3.37Å; V315-Q318 VanDerWaalsContact O-N 3.16Å; V315-L319 PolarHBondContact O-N 3.48Å; V315-L319 VanDerWaalsContact O-N 3.11Å |
| 316 | Q | 97.5 | Very high | 96.9 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 175.7 | -65.7 | -171.2 | 42.3 | 0 | 0 | 111.5 | N131 L308 F311 P312 E313 Q318 L319 Y320 | N131-Q316 PolarHBondContact OD1-OE1 2.86Å; L308-Q316 HydrophobicContact CD1-CG 4.14Å; F311-Q316 HydrophobicContact CB-CG 3.66Å; F311-Q316 PolarHBondContact O-NE2 3.17Å; P312-Q316 WeakPolarHBondContact O-CG 3.25Å; P312-Q316 PolarHBondContact O-N 2.93Å; E313-Q316 PolarHBondContact O-N 3.19Å; Q316-Q318 VanDerWaalsContact C-N 3.32Å; Q316-Q318 PolarHBondContact O-N 3.03Å; Q316-L319 WeakPolarHBondContact O-CB 3.32Å; Q316-L319 PolarHBondContact O-N 3.16Å; Q316-L319 VanDerWaalsContact O-N 3.13Å; Q316-Y320 HydrophobicContact CB-CE2 4.25Å; Q316-Y320 VanDerWaalsContact O-CG 3.28Å; Q316-Y320 PolarHBondContact O-N 3.09Å; Q316-Y320 PolarHBondContact OE1-OH 3.47Å |
| 317 | Q | 96.7 | Very high | 96.8 | Very high | 104 Ų | 104 | 56.3 Ų | 56.3 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 175.7 | -71.1 | 173.4 | 8.6 | 0 | 0 | 112.4 | E313 D314 V315 Y320 K321 | E313-Q317 VanDerWaalsContact O-CG 3.3Å; E313-Q317 WeakPolarHBondContact O-CG 3.13Å; E313-Q317 PolarHBondContact O-N 3.47Å; E313-Q317 PolarHBondContact OE1-NE2 2.71Å; D314-Q317 PolarHBondContact O-N 2.62Å; V315-Q317 VanDerWaalsContact C-N 3.3Å; V315-Q317 PolarHBondContact O-N 3.47Å; Q317-Y320 PolarHBondContact O-N 3.32Å; Q317-K321 WeakPolarHBondContact O-CB 3.45Å; Q317-K321 PolarHBondContact O-N 3.45Å |
| 318 | Q | 97.6 | Very high | 96.7 | Very high | 96 Ų | 96 | 56.9 Ų | 56.9 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 173.5 | -62.2 | -46.9 | -53.4 | 0 | 0 | 112.1 | D314 V315 Q316 K321 S322 | D314-Q318 WeakPolarHBondContact O-CG 3.27Å; D314-Q318 PolarHBondContact O-N 2.93Å; V315-Q318 PolarHBondContact O-N 3.37Å; V315-Q318 VanDerWaalsContact O-N 3.16Å; Q316-Q318 VanDerWaalsContact C-N 3.32Å; Q316-Q318 PolarHBondContact O-N 3.03Å; Q318-K321 PolarHBondContact O-N 3.27Å; Q318-K321 VanDerWaalsContact OE1-CE 3.29Å; Q318-S322 PolarHBondContact O-N 2.89Å |
| 319 | L | 97.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 174.2 | 176.6 | 64.4 | 0 | 0 | 0 | 110.9 | F133 I145 L148 L308 V315 Q316 K321 S322 L323 | F133-L319 HydrophobicContact CD1-CD2 4.22Å; F133-L319 HydrophobicContact CE1-CD2 3.85Å; I145-L319 HydrophobicContact CD1-CD1 4.49Å; I145-L319 HydrophobicContact CD1-CD2 3.84Å; L148-L319 HydrophobicContact CD1-CB 4.29Å; L148-L319 HydrophobicContact CD2-CB 4.11Å; L148-L319 HydrophobicContact CD2-CD1 4.44Å; L148-L319 HydrophobicContact CD2-CD2 4.36Å; L308-L319 HydrophobicContact CD1-CD2 3.65Å; V315-L319 PolarHBondContact O-N 3.48Å; V315-L319 VanDerWaalsContact O-N 3.11Å; Q316-L319 WeakPolarHBondContact O-CB 3.32Å; Q316-L319 PolarHBondContact O-N 3.16Å; Q316-L319 VanDerWaalsContact O-N 3.13Å; L319-K321 VanDerWaalsContact C-N 3.29Å; L319-K321 PolarHBondContact O-N 3.46Å; L319-S322 CarbonylContact O-C 3.07Å; L319-S322 WeakPolarHBondContact O-CA 3.25Å; L319-S322 VanDerWaalsContact O-CB 3.29Å; L319-S322 WeakPolarHBondContact O-CB 3.18Å; L319-S322 PolarHBondContact O-N 3.13Å; L319-L323 HydrophobicContact CD1-CG 4.36Å; L319-L323 HydrophobicContact CG-CD1 4.29Å; L319-L323 HydrophobicContact CG-CG 4.43Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.01Å |
| 320 | Y | 96.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 18% | 0.184 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -34.3 | -179 | -60.9 | -18.2 | 0 | 0 | 0 | 112.4 | T106 Q130 F133 Q316 Q317 S322 L323 S324 | T106-Y320 HydrophobicContact CG2-CD1 3.71Å; T106-Y320 HydrophobicContact CG2-CD2 4.3Å; T106-Y320 HydrophobicContact CG2-CE1 3.91Å; T106-Y320 HydrophobicContact CG2-CE2 4.47Å; T106-Y320 HydrophobicContact CG2-CG 3.92Å; Q130-Y320 PolarHBondContact O-OH 3Å; F133-Y320 HydrophobicContact CB-CE1 4.45Å; F133-Y320 HydrophobicContact CD1-CE1 4.47Å; Q316-Y320 HydrophobicContact CB-CE2 4.25Å; Q316-Y320 VanDerWaalsContact O-CG 3.28Å; Q316-Y320 PolarHBondContact O-N 3.09Å; Q316-Y320 PolarHBondContact OE1-OH 3.47Å; Q317-Y320 PolarHBondContact O-N 3.32Å; Y320-S322 VanDerWaalsContact C-N 3.34Å; Y320-L323 HydrophobicContact CD1-CD1 4.11Å; Y320-L323 PolarHBondContact O-N 2.81Å; Y320-S324 PolarHBondContact O-N 3.05Å |
| 321 | K | 95.8 | Very high | 96.5 | Very high | 130 Ų | 130 | 56.1 Ų | 56.1 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 168.6 | -173.3 | -174.3 | 72.6 | -178 | 0 | 112.3 | Q317 Q318 L319 S324 | Q317-K321 WeakPolarHBondContact O-CB 3.45Å; Q317-K321 PolarHBondContact O-N 3.45Å; Q318-K321 PolarHBondContact O-N 3.27Å; Q318-K321 VanDerWaalsContact OE1-CE 3.29Å; L319-K321 VanDerWaalsContact C-N 3.29Å; L319-K321 PolarHBondContact O-N 3.46Å; K321-S324 PolarHBondContact O-OG 3.01Å |
| 322 | S | 95.7 | Very high | 96.5 | Very high | 49 Ų | 49 | 58.2 Ų | 58.2 | 34% | 0.343 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 174.5 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | Q318 L319 Y320 S324 A325 | Q318-S322 PolarHBondContact O-N 2.89Å; L319-S322 CarbonylContact O-C 3.07Å; L319-S322 WeakPolarHBondContact O-CA 3.25Å; L319-S322 VanDerWaalsContact O-CB 3.29Å; L319-S322 WeakPolarHBondContact O-CB 3.18Å; L319-S322 PolarHBondContact O-N 3.13Å; Y320-S322 VanDerWaalsContact C-N 3.34Å; S322-S324 VanDerWaalsContact C-N 3.25Å; S322-S324 PolarHBondContact O-N 3.21Å; S322-A325 WeakPolarHBondContact O-CB 3.44Å; S322-A325 PolarHBondContact O-N 3.41Å |
| 323 | L | 95.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.2 | -27.6 | 178.6 | -64.3 | 178.7 | 0 | 0 | 0 | 112.9 | F133 L319 Y320 A325 R326 | F133-L323 HydrophobicContact CB-CD1 3.89Å; F133-L323 HydrophobicContact CD1-CD1 4.35Å; F133-L323 HydrophobicContact CD2-CD1 3.68Å; F133-L323 HydrophobicContact CE2-CD1 4.26Å; F133-L323 HydrophobicContact CG-CD1 3.72Å; L319-L323 HydrophobicContact CD1-CG 4.36Å; L319-L323 HydrophobicContact CG-CD1 4.29Å; L319-L323 HydrophobicContact CG-CG 4.43Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.01Å; Y320-L323 HydrophobicContact CD1-CD1 4.11Å; Y320-L323 PolarHBondContact O-N 2.81Å; L323-A325 PolarHBondContact O-N 3.02Å; L323-R326 WeakPolarHBondContact O-CG 3.28Å; L323-R326 PolarHBondContact O-N 2.92Å |
| 324 | S | 95.1 | Very high | 96.7 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.7 | -22.6 | 178.3 | 73.9 | 0 | 0 | 0 | 0 | 113.3 | S105 Y320 K321 S322 R326 L327 | S105-S324 WeakPolarHBondContact OG-CA 3.48Å; Y320-S324 PolarHBondContact O-N 3.05Å; K321-S324 PolarHBondContact O-OG 3.01Å; S322-S324 VanDerWaalsContact C-N 3.25Å; S322-S324 PolarHBondContact O-N 3.21Å; S324-R326 PolarHBondContact O-N 3.5Å; S324-L327 PolarHBondContact O-N 3.43Å |
| 325 | A | 94.4 | Very high | 96.8 | Very high | 92 Ų | 92 | 44.2 Ų | 44.2 | 76% | 0.76 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S322 L323 | S322-A325 WeakPolarHBondContact O-CB 3.44Å; S322-A325 PolarHBondContact O-N 3.41Å; L323-A325 PolarHBondContact O-N 3.02Å |
| 326 | R | 93.2 | Very high | 96.8 | Very high | 59 Ų | 59 | 42 Ų | 42 | 22% | 0.223 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 8.1 | 173.6 | 63.2 | 165.9 | -175 | 104.3 | 5.8 | 113.7 | S105 L134 E140 L323 S324 C328 S329 | S105-R326 PolarHBondContact O-NH2 2.95Å; L134-R326 PolarHBondContact O-NH2 3.39Å; E140-R326 WeakPolarHBondContact OE1-CD 3.43Å; E140-R326 IonicContact OE1-CZ 2.87Å; E140-R326 IonicContact OE1-NE 3.52Å; E140-R326 IonicContact OE1-NH1 3.18Å; E140-R326 PolarHBondContact OE1-NH1 3.33Å; E140-R326 IonicContact OE2-CZ 2.83Å; E140-R326 IonicContact OE2-NE 3.65Å; E140-R326 IonicContact OE2-NH1 3.3Å; E140-R326 PolarHBondContact OE2-NH1 2.69Å; E140-R326 VanDerWaalsContact OE2-NH1 3.13Å; E140-R326 IonicContact OE2-NH2 3.44Å; L323-R326 WeakPolarHBondContact O-CG 3.28Å; L323-R326 PolarHBondContact O-N 2.92Å; S324-R326 PolarHBondContact O-N 3.5Å; R326-C328 VanDerWaalsContact C-N 3.33Å; R326-C328 PolarHBondContact O-N 2.8Å; R326-S329 VanDerWaalsContact NH1-CA 3.28Å |
| 327 | L | 95.6 | Very high | 96.9 | Very high | 86 Ų | 86 | 41 Ų | 41 | 45% | 0.45 | 22% | 0.224 | S | C | . | . | trans | 65.7 | -75.6 | -174.3 | -53.6 | 170.8 | 0 | 0 | 0 | 113.4 | Y102 S105 S324 | Y102-L327 HydrophobicContact CD1-CB 4.01Å; Y102-L327 HydrophobicContact CD1-CD1 4.21Å; Y102-L327 HydrophobicContact CE1-CB 4.08Å; Y102-L327 HydrophobicContact CE1-CD1 3.57Å; Y102-L327 HydrophobicContact CE1-CG 4.48Å; Y102-L327 HydrophobicContact CE2-CD1 3.93Å; Y102-L327 VanDerWaalsContact CZ-CD1 3.41Å; S105-L327 WeakPolarHBondContact CA-O 3.31Å; S105-L327 WeakPolarHBondContact CB-O 3.35Å; S105-L327 PolarHBondContact OG-O 3.44Å; S324-L327 PolarHBondContact O-N 3.43Å | ||
| 328 | C | 96.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.108 | 20% | 0.201 | C | C | . | . | trans | -161.4 | 171.9 | 174.7 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | S103 R326 | S103-C328 PolarHBondContact N-SG 3.07Å; S103-C328 VanDerWaalsContact N-SG 3.44Å; S103-C328 WeakPolarHBondContact OG-CB 3.38Å; R326-C328 VanDerWaalsContact C-N 3.33Å; R326-C328 PolarHBondContact O-N 2.8Å | ||
| 329 | S | 97.5 | Very high | 97 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -78.9 | 162.9 | 169.5 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | R326 L331 Q334 | R326-S329 VanDerWaalsContact NH1-CA 3.28Å; S329-L331 PolarHBondContact O-N 2.91Å; S329-Q334 PolarHBondContact O-NE2 2.76Å; S329-Q334 WeakPolarHBondContact OG-CG 3.44Å; S329-Q334 PolarHBondContact OG-NE2 3.48Å | ||
| 330 | S | 97.4 | Very high | 97 | Very high | 54 Ų | 54 | 31.5 Ų | 31.5 | 38% | 0.378 | 18% | 0.18 | S | C | . | . | trans | -54.9 | 127.3 | 177.7 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | N136 L332 G333 Q334 | N136-S330 PolarHBondContact OD1-N 3.47Å; S330-L332 PolarHBondContact O-N 3.14Å; S330-L332 PolarHBondContact OG-N 2.79Å; S330-G333 WeakPolarHBondContact O-CA 3.39Å; S330-G333 PolarHBondContact O-N 2.94Å; S330-Q334 WeakPolarHBondContact O-CG 3.3Å; S330-Q334 PolarHBondContact O-N 3.18Å | ||
| 331 | L | 98.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -29 | 178.9 | -90.5 | 63.3 | 0 | 0 | 0 | 112.5 | F91 C95 V99 V101 S329 G333 Q334 L335 | F91-L331 HydrophobicContact CE1-CB 4.32Å; F91-L331 HydrophobicContact CE1-CD2 4.41Å; F91-L331 HydrophobicContact CE1-CG 4.43Å; F91-L331 HydrophobicContact CZ-CB 4.13Å; F91-L331 HydrophobicContact CZ-CG 4.15Å; F91-L331 WeakPolarHBondContact CZ-O 3.27Å; C95-L331 HydrophobicContact CB-CD2 4.07Å; V99-L331 HydrophobicContact CB-CB 4.4Å; V99-L331 WeakPolarHBondContact O-CB 3.32Å; V101-L331 HydrophobicContact CG2-CD2 3.78Å; V101-L331 VanDerWaalsContact O-CD1 3.27Å; V101-L331 WeakPolarHBondContact O-CD1 3.49Å; V101-L331 WeakPolarHBondContact O-CD2 3.39Å; S329-L331 PolarHBondContact O-N 2.91Å; L331-G333 VanDerWaalsContact C-N 3.34Å; L331-Q334 PolarHBondContact O-N 3.42Å; L331-L335 WeakPolarHBondContact O-CB 3.3Å; L331-L335 PolarHBondContact O-N 3.3Å |
| 332 | L | 98.2 | Very high | 97.2 | Very high | 55 Ų | 55 | 23.9 Ų | 23.9 | 29% | 0.288 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67 | -37.6 | 172.2 | -65.7 | -180 | 0 | 0 | 0 | 111.8 | L66 T70 V99 S330 T336 | L66-L332 HydrophobicContact CD2-CD2 4.24Å; T70-L332 HydrophobicContact CG2-CD2 3.59Å; V99-L332 HydrophobicContact CB-CD2 4.06Å; V99-L332 HydrophobicContact CG1-CD2 4.16Å; V99-L332 HydrophobicContact CG2-CD2 4.05Å; S330-L332 PolarHBondContact O-N 3.14Å; S330-L332 PolarHBondContact OG-N 2.79Å; L332-T336 WeakPolarHBondContact O-CB 3.46Å; L332-T336 PolarHBondContact O-N 3.23Å; L332-T336 PolarHBondContact O-OG1 2.8Å |
| 333 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.7 | -39.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | L301 G303 S330 L331 T336 M337 | L301-G333 WeakPolarHBondContact O-CA 3.31Å; G303-G333 VanDerWaalsContact CA-O 3.25Å; G303-G333 WeakPolarHBondContact CA-O 3.45Å; S330-G333 WeakPolarHBondContact O-CA 3.39Å; S330-G333 PolarHBondContact O-N 2.94Å; L331-G333 VanDerWaalsContact C-N 3.34Å; G333-T336 PolarHBondContact O-N 2.95Å; G333-M337 PolarHBondContact O-N 3.36Å |
| 334 | Q | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -45.5 | 175.1 | -62.2 | -175 | 42.7 | 0 | 0 | 111.9 | F91 S103 G107 L134 S329 S330 L331 T336 M337 D338 | F91-Q334 HydrophobicContact CE2-CB 4.27Å; F91-Q334 HydrophobicContact CZ-CB 4.37Å; S103-Q334 PolarHBondContact OG-NE2 2.73Å; G107-Q334 VanDerWaalsContact CA-OE1 3.28Å; L134-Q334 HydrophobicContact CB-CG 4.09Å; L134-Q334 HydrophobicContact CD1-CB 3.93Å; L134-Q334 HydrophobicContact CD1-CG 3.69Å; S329-Q334 PolarHBondContact O-NE2 2.76Å; S329-Q334 WeakPolarHBondContact OG-CG 3.44Å; S329-Q334 PolarHBondContact OG-NE2 3.48Å; S330-Q334 WeakPolarHBondContact O-CG 3.3Å; S330-Q334 PolarHBondContact O-N 3.18Å; L331-Q334 PolarHBondContact O-N 3.42Å; Q334-T336 VanDerWaalsContact C-N 3.35Å; Q334-T336 PolarHBondContact O-N 3.2Å; Q334-M337 WeakPolarHBondContact O-CA 3.39Å; Q334-M337 WeakPolarHBondContact O-CB 3.16Å; Q334-M337 PolarHBondContact O-N 3.06Å; Q334-M337 VanDerWaalsContact O-N 3.1Å; Q334-D338 PolarHBondContact O-N 3.35Å |
| 335 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 175.7 | 177.3 | 55.5 | 0 | 0 | 0 | 112.1 | V65 L66 A69 F91 V99 L331 M337 D338 V339 | V65-L335 HydrophobicContact CG1-CD1 3.71Å; V65-L335 HydrophobicContact CG1-CD2 4.2Å; V65-L335 HydrophobicContact CG1-CG 4.09Å; L66-L335 HydrophobicContact CD2-CB 4.35Å; L66-L335 HydrophobicContact CD2-CD2 3.96Å; L66-L335 HydrophobicContact CD2-CG 4.04Å; A69-L335 HydrophobicContact CB-CD2 3.32Å; F91-L335 HydrophobicContact CB-CD1 3.75Å; F91-L335 HydrophobicContact CD1-CB 4.31Å; F91-L335 HydrophobicContact CD1-CD1 4.2Å; F91-L335 HydrophobicContact CD1-CD2 4.27Å; F91-L335 HydrophobicContact CD2-CB 4.1Å; F91-L335 HydrophobicContact CD2-CD1 3.81Å; F91-L335 HydrophobicContact CE1-CB 4.14Å; F91-L335 HydrophobicContact CE2-CB 3.89Å; F91-L335 HydrophobicContact CE2-CD1 4.47Å; F91-L335 HydrophobicContact CG-CB 4.31Å; F91-L335 HydrophobicContact CG-CD1 3.65Å; F91-L335 HydrophobicContact CG-CG 4.38Å; F91-L335 HydrophobicContact CZ-CB 3.92Å; V99-L335 HydrophobicContact CG1-CD2 4.48Å; L331-L335 WeakPolarHBondContact O-CB 3.3Å; L331-L335 PolarHBondContact O-N 3.3Å; L335-M337 VanDerWaalsContact C-N 3.25Å; L335-M337 PolarHBondContact O-N 2.93Å; L335-D338 HydrophobicContact CD1-CB 4.49Å; L335-D338 WeakPolarHBondContact O-CB 3.48Å; L335-D338 PolarHBondContact O-N 3.3Å; L335-V339 HydrophobicContact CD1-CG2 4.48Å; L335-V339 WeakPolarHBondContact O-CG2 3.43Å; L335-V339 PolarHBondContact O-N 3.19Å |
| 336 | T | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 172.7 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | I62 C291 E298 L301 L332 G333 Q334 V339 V340 | I62-T336 HydrophobicContact CG2-CG2 4.16Å; C291-T336 HydrophobicContact CB-CG2 3.83Å; E298-T336 HydrophobicContact CB-CG2 3.98Å; E298-T336 HydrophobicContact CG-CG2 3.95Å; L301-T336 HydrophobicContact CB-CG2 4.39Å; L301-T336 HydrophobicContact CD1-CG2 3.8Å; L301-T336 VanDerWaalsContact CD1-OG1 3.22Å; L301-T336 WeakPolarHBondContact CD1-OG1 3.44Å; L332-T336 WeakPolarHBondContact O-CB 3.46Å; L332-T336 PolarHBondContact O-N 3.23Å; L332-T336 PolarHBondContact O-OG1 2.8Å; G333-T336 PolarHBondContact O-N 2.95Å; Q334-T336 VanDerWaalsContact C-N 3.35Å; Q334-T336 PolarHBondContact O-N 3.2Å; T336-V339 PolarHBondContact O-N 3.36Å; T336-V340 WeakPolarHBondContact O-CB 3.26Å; T336-V340 VanDerWaalsContact O-CG2 3.32Å; T336-V340 WeakPolarHBondContact O-CG2 3.38Å; T336-V340 PolarHBondContact O-N 3.37Å |
| 337 | M | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 177 | -170 | 48.9 | 65.1 | 0 | 0 | 111.7 | V115 M289 C291 Y305 G333 Q334 L335 V339 V340 V341 | V115-M337 HydrophobicContact CG2-CG 4.27Å; M289-M337 HydrophobicContact CE-CE 3.57Å; M289-M337 HydrophobicContact CE-SD 3.27Å; M289-M337 WeakPolarHBondContact CE-SD 3.17Å; M289-M337 HydrophobicContact SD-CE 4.47Å; C291-M337 HydrophobicContact CB-CE 3.77Å; C291-M337 VanDerWaalsContact N-CE 3.28Å; Y305-M337 HydrophobicContact CD1-CE 4.39Å; Y305-M337 HydrophobicContact CD1-CG 3.96Å; Y305-M337 HydrophobicContact CD1-SD 3.69Å; Y305-M337 HydrophobicContact CE1-SD 4Å; G333-M337 PolarHBondContact O-N 3.36Å; Q334-M337 WeakPolarHBondContact O-CA 3.39Å; Q334-M337 WeakPolarHBondContact O-CB 3.16Å; Q334-M337 PolarHBondContact O-N 3.06Å; Q334-M337 VanDerWaalsContact O-N 3.1Å; L335-M337 VanDerWaalsContact C-N 3.25Å; L335-M337 PolarHBondContact O-N 2.93Å; M337-V339 VanDerWaalsContact C-N 3.34Å; M337-V339 PolarHBondContact O-N 3.33Å; M337-V340 WeakPolarHBondContact O-CB 3.02Å; M337-V340 PolarHBondContact O-N 2.91Å; M337-V340 VanDerWaalsContact O-N 3.12Å; M337-V340 HydrophobicContact SD-CB 4.39Å; M337-V340 HydrophobicContact SD-CG1 4.17Å; M337-V341 HydrophobicContact CG-CG1 4.47Å; M337-V341 WeakPolarHBondContact O-CG2 3.26Å; M337-V341 PolarHBondContact O-N 2.9Å; M337-V341 HydrophobicContact SD-CG1 3.9Å |
| 338 | D | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53.1 | -49.8 | 175.1 | -165.1 | 59.7 | 0 | 0 | 0 | 111.5 | R90 V111 D114 Q334 L335 V340 V341 N342 | R90-D338 IonicContact NH1-OD1 3.52Å; R90-D338 IonicContact NH1-OD2 3.77Å; V111-D338 HydrophobicContact CB-CB 4.44Å; V111-D338 HydrophobicContact CG1-CB 3.97Å; V111-D338 HydrophobicContact CG2-CB 3.85Å; D114-D338 VanDerWaalsContact OD2-OD1 3.13Å; Q334-D338 PolarHBondContact O-N 3.35Å; L335-D338 HydrophobicContact CD1-CB 4.49Å; L335-D338 WeakPolarHBondContact O-CB 3.48Å; L335-D338 PolarHBondContact O-N 3.3Å; D338-V340 VanDerWaalsContact C-N 3.34Å; D338-V340 PolarHBondContact O-N 3.27Å; D338-V341 WeakPolarHBondContact O-CG2 3.27Å; D338-V341 PolarHBondContact O-N 3.41Å; D338-N342 VanDerWaalsContact O-CB 3.3Å; D338-N342 WeakPolarHBondContact O-CB 2.99Å; D338-N342 PolarHBondContact O-N 3.42Å |
| 339 | V | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.3 | -37.7 | 178 | -180 | 0 | 0 | 0 | 0 | 112.2 | F61 I62 V65 L335 T336 M337 N342 P343 | F61-V339 HydrophobicContact CD1-CG1 3.56Å; F61-V339 HydrophobicContact CE1-CG1 3.8Å; I62-V339 HydrophobicContact CG1-CG1 3.77Å; V65-V339 HydrophobicContact CB-CG2 3.84Å; V65-V339 HydrophobicContact CG1-CG2 3.59Å; V65-V339 HydrophobicContact CG2-CG2 3.92Å; L335-V339 HydrophobicContact CD1-CG2 4.48Å; L335-V339 WeakPolarHBondContact O-CG2 3.43Å; L335-V339 PolarHBondContact O-N 3.19Å; T336-V339 PolarHBondContact O-N 3.36Å; M337-V339 VanDerWaalsContact C-N 3.34Å; M337-V339 PolarHBondContact O-N 3.33Å; V339-N342 CarbonylContact O-C 3.32Å; V339-N342 VanDerWaalsContact O-C 3.32Å; V339-P343 WeakPolarHBondContact O-CA 3.49Å |
| 340 | V | 97.9 | Very high | 98 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -42 | 178.7 | 157.3 | 0 | 0 | 0 | 0 | 111.8 | I62 M289 C291 M296 T336 M337 D338 | I62-V340 HydrophobicContact CD1-CG2 4.31Å; M289-V340 HydrophobicContact CE-CG1 3.63Å; C291-V340 HydrophobicContact CB-CG2 4.13Å; M296-V340 HydrophobicContact CB-CG2 4Å; M296-V340 HydrophobicContact CE-CB 4.11Å; M296-V340 HydrophobicContact CE-CG1 3.33Å; M296-V340 HydrophobicContact CE-CG2 3.78Å; M296-V340 HydrophobicContact CG-CG2 3.97Å; T336-V340 WeakPolarHBondContact O-CB 3.26Å; T336-V340 VanDerWaalsContact O-CG2 3.32Å; T336-V340 WeakPolarHBondContact O-CG2 3.38Å; T336-V340 PolarHBondContact O-N 3.37Å; M337-V340 WeakPolarHBondContact O-CB 3.02Å; M337-V340 PolarHBondContact O-N 2.91Å; M337-V340 VanDerWaalsContact O-N 3.12Å; M337-V340 HydrophobicContact SD-CB 4.39Å; M337-V340 HydrophobicContact SD-CG1 4.17Å; D338-V340 VanDerWaalsContact C-N 3.34Å; D338-V340 PolarHBondContact O-N 3.27Å |
| 341 | V | 98.2 | Very high | 98 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -86.4 | -21.2 | -178.4 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | D114 V115 Y118 M289 Y305 M337 D338 P343 | D114-V341 HydrophobicContact CB-CG2 3.93Å; V115-V341 HydrophobicContact CG2-CG1 4.11Å; V115-V341 HydrophobicContact CG2-CG2 4Å; Y118-V341 HydrophobicContact CD1-CB 4.34Å; Y118-V341 HydrophobicContact CD1-CG1 4.1Å; Y118-V341 HydrophobicContact CD2-CB 4.07Å; Y118-V341 HydrophobicContact CD2-CG1 4.43Å; Y118-V341 WeakPolarHBondContact CD2-O 3.31Å; Y118-V341 HydrophobicContact CG-CB 3.76Å; Y118-V341 HydrophobicContact CG-CG1 4.01Å; M289-V341 HydrophobicContact CE-CG1 4.48Å; Y305-V341 HydrophobicContact CE1-CG1 4.08Å; M337-V341 HydrophobicContact CG-CG1 4.47Å; M337-V341 WeakPolarHBondContact O-CG2 3.26Å; M337-V341 PolarHBondContact O-N 2.9Å; M337-V341 HydrophobicContact SD-CG1 3.9Å; D338-V341 WeakPolarHBondContact O-CG2 3.27Å; D338-V341 PolarHBondContact O-N 3.41Å; V341-P343 WeakPolarHBondContact O-CD 3.26Å |
| 342 | N | 97.5 | Very high | 98 | Very high | 15 Ų | 15 | 34 Ų | 34 | 8% | 0.08 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -123.3 | 64.8 | 176.5 | -166.9 | 10.7 | 0 | 0 | 0 | 112 | D114 D338 V339 K345 | D114-N342 HydrophobicContact CB-CB 4.38Å; D114-N342 PolarHBondContact OD2-ND2 3.43Å; D338-N342 VanDerWaalsContact O-CB 3.3Å; D338-N342 WeakPolarHBondContact O-CB 2.99Å; D338-N342 PolarHBondContact O-N 3.42Å; V339-N342 CarbonylContact O-C 3.32Å; V339-N342 VanDerWaalsContact O-C 3.32Å; N342-K345 WeakPolarHBondContact OD1-CE 3.3Å; N342-K345 PolarHBondContact OD1-NZ 2.89Å |
| 343 | P | 97.2 | Very high | 98 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 19% | 0.188 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 167.2 | 179.6 | 30.7 | -37.3 | 0 | 0 | 0 | 111.4 | V339 V341 F354 | V339-P343 WeakPolarHBondContact O-CA 3.49Å; V341-P343 WeakPolarHBondContact O-CD 3.26Å; P343-F354 HydrophobicContact CB-CD1 4.42Å; P343-F354 HydrophobicContact CB-CE1 3.62Å; P343-F354 HydrophobicContact CB-CE2 4.18Å; P343-F354 HydrophobicContact CB-CZ 3.47Å; P343-F354 VanDerWaalsContact CB-CZ 3.47Å |
| 344 | P | 98.2 | Very high | 98 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -49.2 | 142.9 | 173.7 | -27.6 | 35.5 | 0 | 0 | 0 | 112.1 | F61 E348 Y351 F354 | F61-P344 HydrophobicContact CB-CG 4.43Å; F61-P344 HydrophobicContact CD1-CG 3.51Å; F61-P344 HydrophobicContact CD2-CG 3.88Å; F61-P344 HydrophobicContact CE1-CG 3.57Å; F61-P344 HydrophobicContact CE2-CG 3.9Å; F61-P344 HydrophobicContact CG-CG 3.66Å; F61-P344 HydrophobicContact CZ-CG 3.76Å; P344-E348 VanDerWaalsContact CA-OE2 3.27Å; P344-E348 WeakPolarHBondContact CA-OE2 3.42Å; P344-Y351 VanDerWaalsContact O-CD2 3.3Å; P344-Y351 WeakPolarHBondContact O-CD2 3.48Å; P344-F354 HydrophobicContact CG-CB 4.07Å; P344-F354 HydrophobicContact CG-CD2 4.32Å; P344-F354 HydrophobicContact CG-CG 4.11Å |
| 345 | K | 97.2 | Very high | 98 | Very high | 51 Ų | 51 | 36.8 Ų | 36.8 | 22% | 0.222 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -95.2 | 158.3 | 178.2 | -53.1 | -54.3 | 178.9 | -163.8 | 0 | 110.5 | N342 H347 E348 Y351 | N342-K345 WeakPolarHBondContact OD1-CE 3.3Å; N342-K345 PolarHBondContact OD1-NZ 2.89Å; K345-H347 PolarHBondContact O-N 3.07Å; K345-E348 HydrophobicContact CB-CG 4.18Å; K345-E348 PolarHBondContact N-OE2 2.85Å; K345-E348 WeakPolarHBondContact O-CB 3.39Å; K345-E348 PolarHBondContact O-N 2.87Å; K345-Y351 VanDerWaalsContact O-CB 3.24Å; K345-Y351 WeakPolarHBondContact O-CB 3.45Å |
| 346 | P | 97.6 | Very high | 98 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 63% | 0.63 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -23.6 | -175.2 | -30.6 | 36 | 0 | 0 | 0 | 117.1 | Y351 | P346-Y351 HydrophobicContact CB-CD1 4.45Å; P346-Y351 HydrophobicContact CB-CE1 4.22Å; P346-Y351 HydrophobicContact CB-CE2 4.45Å; P346-Y351 HydrophobicContact CG-CD2 4.48Å; P346-Y351 HydrophobicContact CG-CE1 4.39Å; P346-Y351 HydrophobicContact CG-CE2 3.93Å |
| 347 | H | 96.9 | Very high | 98 | Very high | 161 Ų | 161 | 46.3 Ų | 46.3 | 75% | 0.745 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -2.8 | 179.2 | 62.5 | -88 | 0 | 0 | 0 | 113.8 | K345 | K345-H347 PolarHBondContact O-N 3.07Š|
| 348 | E | 98 | Very high | 97.9 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -92.5 | 147 | -177.1 | -65.7 | -176 | 126.4 | 0 | 0 | 111.9 | D83 R87 P344 K345 S350 Y351 | D83-E348 HydrophobicContact CB-CB 4.12Å; D83-E348 HydrophobicContact CB-CG 4.41Å; D83-E348 WeakPolarHBondContact OD2-CB 3.35Å; R87-E348 IonicContact CZ-OE1 3.32Å; R87-E348 VanDerWaalsContact CZ-OE1 3.23Å; R87-E348 IonicContact CZ-OE2 3.78Å; R87-E348 IonicContact NH1-OE1 2.75Å; R87-E348 PolarHBondContact NH1-OE1 3.37Å; R87-E348 VanDerWaalsContact NH2-CD 3.25Å; R87-E348 IonicContact NH2-OE1 3.37Å; R87-E348 PolarHBondContact NH2-OE1 2.92Å; R87-E348 IonicContact NH2-OE2 2.71Å; R87-E348 PolarHBondContact NH2-OE2 2.93Å; P344-E348 VanDerWaalsContact CA-OE2 3.27Å; P344-E348 WeakPolarHBondContact CA-OE2 3.42Å; K345-E348 HydrophobicContact CB-CG 4.18Å; K345-E348 PolarHBondContact N-OE2 2.85Å; K345-E348 WeakPolarHBondContact O-CB 3.39Å; K345-E348 PolarHBondContact O-N 2.87Å; E348-S350 VanDerWaalsContact C-N 3.35Å; E348-S350 PolarHBondContact O-N 3.31Å; E348-Y351 WeakPolarHBondContact O-CB 3.37Å; E348-Y351 PolarHBondContact O-N 3.31Å; E348-Y351 VanDerWaalsContact O-N 3.15Å |
| 349 | P | 97.3 | Very high | 97.8 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -41.5 | -174.3 | -27.8 | 34.6 | 0 | 0 | 0 | 115.4 | Y351 | P349-Y351 VanDerWaalsContact C-N 3.3Å; P349-Y351 PolarHBondContact O-N 3.47Å |
| 350 | S | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.3 | -176.3 | -67.3 | 0 | 0 | 0 | 0 | 114.2 | F61 Q81 D83 E348 N352 S353 F354 | F61-S350 VanDerWaalsContact CD2-CB 3.41Å; Q81-S350 WeakPolarHBondContact CB-OG 3.47Å; Q81-S350 VanDerWaalsContact CG-OG 3.26Å; Q81-S350 WeakPolarHBondContact CG-OG 3.22Å; D83-S350 PolarHBondContact OD1-OG 2.88Å; D83-S350 WeakPolarHBondContact OD2-CB 3.22Å; D83-S350 PolarHBondContact OD2-N 2.93Å; D83-S350 PolarHBondContact OD2-OG 3.3Å; E348-S350 VanDerWaalsContact C-N 3.35Å; E348-S350 PolarHBondContact O-N 3.31Å; S350-N352 PolarHBondContact O-N 3.2Å; S350-S353 PolarHBondContact O-OG 2.84Å; S350-F354 WeakPolarHBondContact O-CB 3.38Å; S350-F354 PolarHBondContact O-N 3.16Å |
| 351 | Y | 98.5 | Very high | 97.7 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 24% | 0.239 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -49.5 | -174.9 | 178 | -100.5 | 0 | 0 | 0 | 113.6 | P344 K345 P346 E348 P349 F354 M355 | P344-Y351 VanDerWaalsContact O-CD2 3.3Å; P344-Y351 WeakPolarHBondContact O-CD2 3.48Å; K345-Y351 VanDerWaalsContact O-CB 3.24Å; K345-Y351 WeakPolarHBondContact O-CB 3.45Å; P346-Y351 HydrophobicContact CB-CD1 4.45Å; P346-Y351 HydrophobicContact CB-CE1 4.22Å; P346-Y351 HydrophobicContact CB-CE2 4.45Å; P346-Y351 HydrophobicContact CG-CD2 4.48Å; P346-Y351 HydrophobicContact CG-CE1 4.39Å; P346-Y351 HydrophobicContact CG-CE2 3.93Å; E348-Y351 WeakPolarHBondContact O-CB 3.37Å; E348-Y351 PolarHBondContact O-N 3.31Å; E348-Y351 VanDerWaalsContact O-N 3.15Å; P349-Y351 VanDerWaalsContact C-N 3.3Å; P349-Y351 PolarHBondContact O-N 3.47Å; Y351-F354 PolarHBondContact O-N 2.89Å; Y351-M355 HydrophobicContact CD1-CG 4.29Å; Y351-M355 HydrophobicContact CD2-CG 4.04Å; Y351-M355 HydrophobicContact CE1-CG 3.9Å; Y351-M355 HydrophobicContact CE2-CG 3.65Å; Y351-M355 HydrophobicContact CE2-SD 4.13Å; Y351-M355 HydrophobicContact CG-CG 4.37Å; Y351-M355 WeakPolarHBondContact O-CB 3.35Å; Y351-M355 VanDerWaalsContact O-CG 3.31Å; Y351-M355 WeakPolarHBondContact O-CG 3.44Å; Y351-M355 PolarHBondContact O-N 3.28Å |
| 352 | N | 98.4 | Very high | 97.6 | Very high | 121 Ų | 121 | 56.3 Ų | 56.3 | 65% | 0.647 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.7 | -46 | -175.3 | -70 | -30.8 | 0 | 0 | 0 | 111.3 | S350 M355 E356 | S350-N352 PolarHBondContact O-N 3.2Å; N352-M355 PolarHBondContact O-N 2.79Å; N352-E356 WeakPolarHBondContact O-CB 3.43Å; N352-E356 PolarHBondContact O-N 3.02Å |
| 353 | S | 98 | Very high | 97.5 | Very high | 53 Ų | 53 | 59.9 Ų | 59.9 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 177 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | S350 M355 E356 E357 | S350-S353 PolarHBondContact O-OG 2.84Å; S353-M355 PolarHBondContact O-N 3.44Å; S353-E356 PolarHBondContact O-N 3.32Å; S353-E357 WeakPolarHBondContact O-CB 3.31Å; S353-E357 WeakPolarHBondContact O-CG 3.14Å; S353-E357 PolarHBondContact O-N 3.3Å |
| 354 | F | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.8 | 174.7 | -90.2 | 0 | 0 | 0 | 111.9 | I59 F61 Y295 P343 P344 S350 Y351 E357 K358 | I59-F354 HydrophobicContact CG2-CD2 3.6Å; I59-F354 HydrophobicContact CG2-CE2 3.79Å; F61-F354 HydrophobicContact CB-CD2 4.15Å; Y295-F354 HydrophobicContact CE2-CE1 4.46Å; Y295-F354 AromaticContact CE2-CE2 3.87Å; Y295-F354 HydrophobicContact CE2-CE2 3.87Å; Y295-F354 AromaticContact CE2-CZ 3.54Å; Y295-F354 HydrophobicContact CE2-CZ 3.54Å; Y295-F354 AromaticContact CZ-CZ 3.85Å; Y295-F354 WeakPolarHBondContact OH-CZ 3.48Å; P343-F354 HydrophobicContact CB-CD1 4.42Å; P343-F354 HydrophobicContact CB-CE1 3.62Å; P343-F354 HydrophobicContact CB-CE2 4.18Å; P343-F354 HydrophobicContact CB-CZ 3.47Å; P343-F354 VanDerWaalsContact CB-CZ 3.47Å; P344-F354 HydrophobicContact CG-CB 4.07Å; P344-F354 HydrophobicContact CG-CD2 4.32Å; P344-F354 HydrophobicContact CG-CG 4.11Å; S350-F354 WeakPolarHBondContact O-CB 3.38Å; S350-F354 PolarHBondContact O-N 3.16Å; Y351-F354 PolarHBondContact O-N 2.89Å; F354-E357 PolarHBondContact O-N 3.33Å; F354-K358 HydrophobicContact CE1-CD 4.02Å; F354-K358 HydrophobicContact CZ-CD 4.44Å; F354-K358 WeakPolarHBondContact O-CB 3.27Å; F354-K358 PolarHBondContact O-N 3.44Å |
| 355 | M | 98.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 61.5 Ų | 61.5 | 30% | 0.3 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 179.2 | -72.7 | -58.8 | -64.9 | 0 | 0 | 112 | Y351 N352 S353 S359 | Y351-M355 HydrophobicContact CD1-CG 4.29Å; Y351-M355 HydrophobicContact CD2-CG 4.04Å; Y351-M355 HydrophobicContact CE1-CG 3.9Å; Y351-M355 HydrophobicContact CE2-CG 3.65Å; Y351-M355 HydrophobicContact CE2-SD 4.13Å; Y351-M355 HydrophobicContact CG-CG 4.37Å; Y351-M355 WeakPolarHBondContact O-CB 3.35Å; Y351-M355 VanDerWaalsContact O-CG 3.31Å; Y351-M355 WeakPolarHBondContact O-CG 3.44Å; Y351-M355 PolarHBondContact O-N 3.28Å; N352-M355 PolarHBondContact O-N 2.79Å; S353-M355 PolarHBondContact O-N 3.44Å; M355-S359 WeakPolarHBondContact O-CB 3.48Å; M355-S359 PolarHBondContact O-N 3.29Å; M355-S359 PolarHBondContact O-OG 3.1Å |
| 356 | E | 98.3 | Very high | 97.4 | Very high | 148 Ų | 148 | 62.1 Ų | 62.1 | 69% | 0.692 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.1 | -51.2 | 173.8 | -175.2 | 179.5 | -179.5 | 0 | 0 | 111.5 | N352 S353 K358 S359 S360 | N352-E356 WeakPolarHBondContact O-CB 3.43Å; N352-E356 PolarHBondContact O-N 3.02Å; S353-E356 PolarHBondContact O-N 3.32Å; E356-K358 PolarHBondContact O-N 3.22Å; E356-S359 PolarHBondContact O-N 3.12Å; E356-S360 VanDerWaalsContact O-CB 3.26Å; E356-S360 WeakPolarHBondContact O-CB 3.16Å; E356-S360 PolarHBondContact O-N 2.91Å |
| 357 | E | 98.3 | Very high | 97.3 | Very high | 51 Ų | 51 | 61.7 Ų | 61.7 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 177.8 | -72.4 | 175.8 | 164.6 | 0 | 0 | 111.5 | I59 S60 S353 F354 S359 S360 V361 | I59-E357 WeakPolarHBondContact CA-OE2 3.44Å; I59-E357 HydrophobicContact CD1-CB 3.82Å; S60-E357 VanDerWaalsContact CB-OE1 3.23Å; S60-E357 WeakPolarHBondContact CB-OE1 3.3Å; S60-E357 PolarHBondContact N-OE2 3.04Å; S60-E357 PolarHBondContact OG-OE1 3.18Å; S353-E357 WeakPolarHBondContact O-CB 3.31Å; S353-E357 WeakPolarHBondContact O-CG 3.14Å; S353-E357 PolarHBondContact O-N 3.3Å; F354-E357 PolarHBondContact O-N 3.33Å; E357-S359 PolarHBondContact O-N 3.03Å; E357-S360 PolarHBondContact O-N 2.89Å; E357-V361 WeakPolarHBondContact O-CG2 3.43Å; E357-V361 PolarHBondContact O-N 2.78Å |
| 358 | K | 97.5 | Very high | 97.4 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 21% | 0.213 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -49 | 177.8 | 172.6 | 174.7 | 177 | -175.5 | 0 | 111.6 | Y295 F354 E356 V361 L362 | Y295-K358 HydrophobicContact CD1-CD 3.97Å; Y295-K358 HydrophobicContact CD1-CG 3.88Å; Y295-K358 HydrophobicContact CD2-CB 3.92Å; Y295-K358 HydrophobicContact CD2-CD 4.14Å; Y295-K358 HydrophobicContact CD2-CG 3.82Å; Y295-K358 HydrophobicContact CE1-CD 3.89Å; Y295-K358 HydrophobicContact CE1-CG 4.3Å; Y295-K358 HydrophobicContact CE2-CB 4.39Å; Y295-K358 HydrophobicContact CE2-CD 4.05Å; Y295-K358 HydrophobicContact CE2-CG 4.24Å; Y295-K358 HydrophobicContact CG-CB 4.18Å; Y295-K358 HydrophobicContact CG-CD 4.12Å; Y295-K358 HydrophobicContact CG-CG 3.64Å; F354-K358 HydrophobicContact CE1-CD 4.02Å; F354-K358 HydrophobicContact CZ-CD 4.44Å; F354-K358 WeakPolarHBondContact O-CB 3.27Å; F354-K358 PolarHBondContact O-N 3.44Å; E356-K358 PolarHBondContact O-N 3.22Å; K358-V361 PolarHBondContact O-N 3.2Å; K358-L362 HydrophobicContact CG-CD1 4.06Å; K358-L362 WeakPolarHBondContact O-CG 3.35Å; K358-L362 PolarHBondContact O-N 3.27Å; K358-L362 VanDerWaalsContact O-N 3.11Å |
| 359 | S | 96.7 | Very high | 97.4 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | -178.3 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | M355 E356 E357 V361 L362 E363 | M355-S359 WeakPolarHBondContact O-CB 3.48Å; M355-S359 PolarHBondContact O-N 3.29Å; M355-S359 PolarHBondContact O-OG 3.1Å; E356-S359 PolarHBondContact O-N 3.12Å; E357-S359 PolarHBondContact O-N 3.03Å; S359-V361 PolarHBondContact O-N 3.13Å; S359-L362 PolarHBondContact O-N 2.88Å; S359-E363 VanDerWaalsContact O-CB 3.24Å; S359-E363 WeakPolarHBondContact O-CB 3.41Å; S359-E363 PolarHBondContact O-N 3.1Å |
| 360 | S | 96.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 55 Ų | 55 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | E356 E357 E364 | E356-S360 VanDerWaalsContact O-CB 3.26Å; E356-S360 WeakPolarHBondContact O-CB 3.16Å; E356-S360 PolarHBondContact O-N 2.91Å; E357-S360 PolarHBondContact O-N 2.89Å; S360-E364 WeakPolarHBondContact O-CB 2.96Å; S360-E364 PolarHBondContact O-N 3.45Å |
| 361 | V | 96.9 | Very high | 97.3 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 179 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | Q56 E357 K358 S359 E364 L365 | Q56-V361 HydrophobicContact CG-CG1 4.01Å; Q56-V361 HydrophobicContact CG-CG2 4.13Å; E357-V361 WeakPolarHBondContact O-CG2 3.43Å; E357-V361 PolarHBondContact O-N 2.78Å; K358-V361 PolarHBondContact O-N 3.2Å; S359-V361 PolarHBondContact O-N 3.13Å; V361-E364 PolarHBondContact O-N 3.24Å; V361-L365 HydrophobicContact CG1-CD1 4.03Å; V361-L365 VanDerWaalsContact O-CG 3.3Å; V361-L365 WeakPolarHBondContact O-CG 3.49Å; V361-L365 PolarHBondContact O-N 2.82Å |
| 362 | L | 95.9 | Very high | 97.3 | Very high | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | -178.1 | -67.5 | 175.8 | 0 | 0 | 0 | 112.4 | H256 K358 S359 L365 K366 | H256-L362 VanDerWaalsContact O-CD2 3.27Å; H256-L362 WeakPolarHBondContact O-CD2 3.32Å; K358-L362 HydrophobicContact CG-CD1 4.06Å; K358-L362 WeakPolarHBondContact O-CG 3.35Å; K358-L362 PolarHBondContact O-N 3.27Å; K358-L362 VanDerWaalsContact O-N 3.11Å; S359-L362 PolarHBondContact O-N 2.88Å; L362-L365 PolarHBondContact O-N 3.4Å; L362-K366 PolarHBondContact O-N 2.93Å |
| 363 | E | 95.8 | Very high | 97.3 | Very high | 91 Ų | 91 | 49.1 Ų | 49.1 | 43% | 0.425 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 176.7 | -178.2 | 54.1 | -148.7 | 0 | 0 | 111.5 | S359 L365 K366 Q367 | S359-E363 VanDerWaalsContact O-CB 3.24Å; S359-E363 WeakPolarHBondContact O-CB 3.41Å; S359-E363 PolarHBondContact O-N 3.1Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 2.95Å; E363-K366 WeakPolarHBondContact O-CB 3.37Å; E363-K366 PolarHBondContact O-N 3.27Å; E363-Q367 WeakPolarHBondContact O-CG 3.33Å; E363-Q367 PolarHBondContact O-N 3.22Å; E363-Q367 PolarHBondContact OE1-NE2 2.92Å |
| 364 | E | 96.1 | Very high | 97.3 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 174.4 | -163.6 | -163.1 | 140.2 | 0 | 0 | 111.4 | S360 V361 K366 Q367 K368 I453 | S360-E364 WeakPolarHBondContact O-CB 2.96Å; S360-E364 PolarHBondContact O-N 3.45Å; V361-E364 PolarHBondContact O-N 3.24Å; E364-K366 VanDerWaalsContact C-N 3.35Å; E364-K366 PolarHBondContact O-N 2.83Å; E364-Q367 PolarHBondContact O-N 3.07Å; E364-K368 HydrophobicContact CG-CD 4.5Å; E364-K368 VanDerWaalsContact O-CG 3.3Å; E364-K368 WeakPolarHBondContact O-CG 3.13Å; E364-K368 PolarHBondContact O-N 3.48Å; E364-K368 WeakPolarHBondContact OE1-CE 3.46Å; E364-K368 IonicContact OE1-NZ 2.9Å; E364-K368 PolarHBondContact OE1-NZ 2.71Å; E364-I453 HydrophobicContact CG-CD1 3.81Å; E364-I453 HydrophobicContact CG-CG1 4.05Å |
| 365 | L | 96.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.7 | -71.8 | 169.8 | 0 | 0 | 0 | 111.9 | Y259 V361 L362 E363 K368 A369 I449 L450 | Y259-L365 HydrophobicContact CE1-CB 3.74Å; Y259-L365 WeakPolarHBondContact OH-CB 3.24Å; V361-L365 HydrophobicContact CG1-CD1 4.03Å; V361-L365 VanDerWaalsContact O-CG 3.3Å; V361-L365 WeakPolarHBondContact O-CG 3.49Å; V361-L365 PolarHBondContact O-N 2.82Å; L362-L365 PolarHBondContact O-N 3.4Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 2.95Å; L365-K368 PolarHBondContact O-N 2.85Å; L365-A369 WeakPolarHBondContact O-CB 3.35Å; L365-A369 PolarHBondContact O-N 3.34Å; L365-I449 HydrophobicContact CD2-CD1 4.39Å; L365-I449 HydrophobicContact CD2-CG1 4.18Å; L365-L450 HydrophobicContact CD2-CD2 4.09Å |
| 366 | K | 96.4 | Very high | 97.3 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 175.2 | -178.6 | 177.5 | 178.8 | -174 | 0 | 111.7 | Y259 L362 E363 E364 K368 A369 E370 | Y259-K366 HydrophobicContact CD1-CB 3.84Å; Y259-K366 HydrophobicContact CD1-CG 4.42Å; Y259-K366 HydrophobicContact CG-CB 4.4Å; L362-K366 PolarHBondContact O-N 2.93Å; E363-K366 WeakPolarHBondContact O-CB 3.37Å; E363-K366 PolarHBondContact O-N 3.27Å; E364-K366 VanDerWaalsContact C-N 3.35Å; E364-K366 PolarHBondContact O-N 2.83Å; K366-K368 VanDerWaalsContact C-N 3.3Å; K366-K368 PolarHBondContact O-N 3.45Å; K366-A369 WeakPolarHBondContact O-CB 3.43Å; K366-A369 PolarHBondContact O-N 2.93Å; K366-A369 VanDerWaalsContact O-N 3.14Å; K366-E370 WeakPolarHBondContact CE-OE1 3.38Å; K366-E370 PolarHBondContact O-N 3.09Å |
| 367 | Q | 97 | Very high | 97.4 | Very high | 87 Ų | 87 | 49.3 Ų | 49.3 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 177.3 | -70 | 174.7 | 23.1 | 0 | 0 | 111.8 | E363 E364 E370 L371 I453 | E363-Q367 WeakPolarHBondContact O-CG 3.33Å; E363-Q367 PolarHBondContact O-N 3.22Å; E363-Q367 PolarHBondContact OE1-NE2 2.92Å; E364-Q367 PolarHBondContact O-N 3.07Å; Q367-E370 PolarHBondContact O-N 3.43Å; Q367-L371 VanDerWaalsContact O-CB 3.3Å; Q367-L371 WeakPolarHBondContact O-CB 3.34Å; Q367-L371 PolarHBondContact O-N 2.88Å; Q367-I453 HydrophobicContact CB-CD1 4.37Å |
| 368 | K | 97.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 175.9 | -69.9 | -174.9 | -66.6 | -164.9 | 0 | 112.5 | E364 L365 K366 T372 I449 L450 P451 I453 M456 | E364-K368 HydrophobicContact CG-CD 4.5Å; E364-K368 VanDerWaalsContact O-CG 3.3Å; E364-K368 WeakPolarHBondContact O-CG 3.13Å; E364-K368 PolarHBondContact O-N 3.48Å; E364-K368 WeakPolarHBondContact OE1-CE 3.46Å; E364-K368 IonicContact OE1-NZ 2.9Å; E364-K368 PolarHBondContact OE1-NZ 2.71Å; L365-K368 PolarHBondContact O-N 2.85Å; K366-K368 VanDerWaalsContact C-N 3.3Å; K366-K368 PolarHBondContact O-N 3.45Å; K368-T372 VanDerWaalsContact O-CB 3.26Å; K368-T372 WeakPolarHBondContact O-CB 3.34Å; K368-T372 PolarHBondContact O-N 3.26Å; K368-T372 PolarHBondContact O-OG1 3.01Å; K368-I449 HydrophobicContact CB-CB 4.06Å; K368-I449 VanDerWaalsContact CD-O 3.26Å; K368-I449 WeakPolarHBondContact CD-O 3.38Å; K368-I449 WeakPolarHBondContact CE-O 3.3Å; K368-I449 PolarHBondContact NZ-O 2.89Å; K368-L450 PolarHBondContact NZ-O 2.87Å; K368-P451 WeakPolarHBondContact CD-O 3.33Å; K368-P451 WeakPolarHBondContact CE-O 3.31Å; K368-P451 PolarHBondContact NZ-O 3.33Å; K368-I453 HydrophobicContact CD-CG1 3.97Å; K368-I453 HydrophobicContact CG-CG1 3.59Å; K368-M456 HydrophobicContact CD-CG 4.1Å; K368-M456 HydrophobicContact CG-CG 4.4Å |
| 369 | A | 97.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y259 L365 K366 T372 T373 I387 I449 | Y259-A369 HydrophobicContact CD2-CB 3.9Å; Y259-A369 HydrophobicContact CE2-CB 4.26Å; Y259-A369 HydrophobicContact CG-CB 4.4Å; L365-A369 WeakPolarHBondContact O-CB 3.35Å; L365-A369 PolarHBondContact O-N 3.34Å; K366-A369 WeakPolarHBondContact O-CB 3.43Å; K366-A369 PolarHBondContact O-N 2.93Å; K366-A369 VanDerWaalsContact O-N 3.14Å; A369-T372 PolarHBondContact O-N 3.38Å; A369-T373 WeakPolarHBondContact O-CB 3.48Å; A369-T373 PolarHBondContact O-N 3.45Å; A369-T373 PolarHBondContact O-OG1 2.85Å; A369-I387 HydrophobicContact CB-CB 3.98Å; A369-I387 HydrophobicContact CB-CD1 4.33Å; A369-I387 HydrophobicContact CB-CG2 4.04Å; A369-I449 HydrophobicContact CB-CD1 3.83Å |
| 370 | E | 97.3 | Very high | 97.4 | Very high | 114 Ų | 114 | 53.5 Ų | 53.5 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 177.3 | -69.5 | 175 | -172.8 | 0 | 0 | 111.8 | K366 Q367 T372 T373 K374 | K366-E370 WeakPolarHBondContact CE-OE1 3.38Å; K366-E370 PolarHBondContact O-N 3.09Å; Q367-E370 PolarHBondContact O-N 3.43Å; E370-T372 PolarHBondContact O-N 3.41Å; E370-T373 PolarHBondContact O-N 3.04Å; E370-K374 VanDerWaalsContact O-CB 3.26Å; E370-K374 WeakPolarHBondContact O-CB 3.44Å; E370-K374 PolarHBondContact O-N 3.37Å |
| 371 | L | 98 | Very high | 97.5 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.225 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.8 | -50 | 175.8 | 173.1 | 63.8 | 0 | 0 | 0 | 111.2 | Q367 K374 S375 M456 K457 | Q367-L371 VanDerWaalsContact O-CB 3.3Å; Q367-L371 WeakPolarHBondContact O-CB 3.34Å; Q367-L371 PolarHBondContact O-N 2.88Å; L371-K374 PolarHBondContact O-N 3.3Å; L371-S375 VanDerWaalsContact O-CB 3.27Å; L371-S375 WeakPolarHBondContact O-CB 3.48Å; L371-S375 PolarHBondContact O-N 2.85Å; L371-S375 PolarHBondContact O-OG 3.38Å; L371-S375 VanDerWaalsContact O-OG 3.07Å; L371-M456 HydrophobicContact CD2-CB 4.03Å; L371-K457 HydrophobicContact CD2-CG 3.88Å |
| 372 | T | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -49.7 | -177.4 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | K368 A369 E370 K374 S375 L376 I387 A393 I447 I449 M456 M460 | K368-T372 VanDerWaalsContact O-CB 3.26Å; K368-T372 WeakPolarHBondContact O-CB 3.34Å; K368-T372 PolarHBondContact O-N 3.26Å; K368-T372 PolarHBondContact O-OG1 3.01Å; A369-T372 PolarHBondContact O-N 3.38Å; E370-T372 PolarHBondContact O-N 3.41Å; T372-K374 PolarHBondContact O-N 3.38Å; T372-S375 PolarHBondContact O-N 3.26Å; T372-L376 HydrophobicContact CG2-CD1 3.61Å; T372-L376 HydrophobicContact CG2-CG 4.31Å; T372-L376 WeakPolarHBondContact O-CB 3.44Å; T372-L376 VanDerWaalsContact O-CG 3.22Å; T372-L376 WeakPolarHBondContact O-CG 3.5Å; T372-L376 PolarHBondContact O-N 2.94Å; T372-I387 HydrophobicContact CG2-CD1 4.21Å; T372-A393 HydrophobicContact CG2-CB 4.01Å; T372-I447 HydrophobicContact CG2-CG2 4.24Å; T372-I449 HydrophobicContact CG2-CG2 4.34Å; T372-M456 HydrophobicContact CG2-CE 4.38Å; T372-M456 WeakPolarHBondContact OG1-CE 3.33Å; T372-M460 HydrophobicContact CG2-CE 3.99Å |
| 373 | T | 97.9 | Very high | 97.7 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 179.5 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | A369 E370 N377 | A369-T373 WeakPolarHBondContact O-CB 3.48Å; A369-T373 PolarHBondContact O-N 3.45Å; A369-T373 PolarHBondContact O-OG1 2.85Å; E370-T373 PolarHBondContact O-N 3.04Å; T373-N377 WeakPolarHBondContact O-CB 3.39Å; T373-N377 PolarHBondContact O-N 3.14Å; T373-N377 VanDerWaalsContact O-N 3.13Å; T373-N377 PolarHBondContact O-ND2 3.3Å |
| 374 | K | 98.2 | Very high | 97.8 | Very high | 167 Ų | 167 | 49.5 Ų | 49.5 | 73% | 0.726 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.6 | -45.6 | -179.5 | -179.2 | 177.3 | 177.1 | 179.2 | 0 | 112 | E370 L371 T372 S378 | E370-K374 VanDerWaalsContact O-CB 3.26Å; E370-K374 WeakPolarHBondContact O-CB 3.44Å; E370-K374 PolarHBondContact O-N 3.37Å; L371-K374 PolarHBondContact O-N 3.3Å; T372-K374 PolarHBondContact O-N 3.38Å; K374-S378 PolarHBondContact O-N 3.48Å |
| 375 | S | 98.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 48 Ų | 48 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -44.5 | -178.7 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | L371 T372 N377 S378 M460 | L371-S375 VanDerWaalsContact O-CB 3.27Å; L371-S375 WeakPolarHBondContact O-CB 3.48Å; L371-S375 PolarHBondContact O-N 2.85Å; L371-S375 PolarHBondContact O-OG 3.38Å; L371-S375 VanDerWaalsContact O-OG 3.07Å; T372-S375 PolarHBondContact O-N 3.26Å; S375-N377 PolarHBondContact O-N 3.49Å; S375-S378 WeakPolarHBondContact O-CB 3.27Å; S375-S378 PolarHBondContact O-N 3.38Å; S375-S378 VanDerWaalsContact O-N 3.11Å; S375-S378 PolarHBondContact O-OG 3.01Å; S375-M460 VanDerWaalsContact CB-CG 3.48Å; S375-M460 VanDerWaalsContact CB-SD 3.51Å |
| 376 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 177.9 | -68.9 | 170 | 0 | 0 | 0 | 111.7 | T372 S378 L379 F382 C384 A393 P395 F445 I447 M460 L463 | T372-L376 HydrophobicContact CG2-CD1 3.61Å; T372-L376 HydrophobicContact CG2-CG 4.31Å; T372-L376 WeakPolarHBondContact O-CB 3.44Å; T372-L376 VanDerWaalsContact O-CG 3.22Å; T372-L376 WeakPolarHBondContact O-CG 3.5Å; T372-L376 PolarHBondContact O-N 2.94Å; L376-S378 PolarHBondContact O-N 3.26Å; L376-S378 VanDerWaalsContact O-N 3.15Å; L376-L379 PolarHBondContact O-N 3.25Å; L376-L379 VanDerWaalsContact O-N 3.12Å; L376-F382 HydrophobicContact CB-CD1 4.27Å; L376-F382 HydrophobicContact CD2-CD1 3.93Å; L376-F382 HydrophobicContact CD2-CE1 3.78Å; L376-F382 WeakPolarHBondContact O-CB 3.22Å; L376-C384 HydrophobicContact CB-CB 3.88Å; L376-C384 HydrophobicContact CD1-CB 4.3Å; L376-A393 HydrophobicContact CD1-CB 4.08Å; L376-P395 HydrophobicContact CD1-CB 4.07Å; L376-P395 HydrophobicContact CD1-CG 3.88Å; L376-P395 HydrophobicContact CD2-CG 4.28Å; L376-F445 HydrophobicContact CD2-CZ 4.22Å; L376-I447 HydrophobicContact CD1-CG2 4.25Å; L376-M460 HydrophobicContact CD2-SD 4.38Å; L376-M460 HydrophobicContact CG-SD 4.32Å; L376-L463 HydrophobicContact CD2-CD2 3.39Å |
| 377 | N | 98.6 | Very high | 97.9 | Very high | 75 Ų | 75 | 49 Ų | 49 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.3 | -10.7 | 176.9 | -77.3 | -46.8 | 0 | 0 | 0 | 114.2 | T373 S375 C384 | T373-N377 WeakPolarHBondContact O-CB 3.39Å; T373-N377 PolarHBondContact O-N 3.14Å; T373-N377 VanDerWaalsContact O-N 3.13Å; T373-N377 PolarHBondContact O-ND2 3.3Å; S375-N377 PolarHBondContact O-N 3.49Å; N377-C384 PolarHBondContact ND2-O 2.96Å; N377-C384 PolarHBondContact OD1-N 2.94Å; N377-C384 PolarHBondContact OD1-O 3.05Å |
| 378 | S | 98.2 | Very high | 97.9 | Very high | 84 Ų | 84 | 46.7 Ų | 46.7 | 59% | 0.587 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -10.4 | 174.2 | 79.7 | 0 | 0 | 0 | 0 | 113.6 | K374 S375 L376 | K374-S378 PolarHBondContact O-N 3.48Å; S375-S378 WeakPolarHBondContact O-CB 3.27Å; S375-S378 PolarHBondContact O-N 3.38Å; S375-S378 VanDerWaalsContact O-N 3.11Å; S375-S378 PolarHBondContact O-OG 3.01Å; L376-S378 PolarHBondContact O-N 3.26Å; L376-S378 VanDerWaalsContact O-N 3.15Å |
| 379 | L | 98.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -87.3 | 140.2 | -178.9 | -57.3 | -178.8 | 0 | 0 | 0 | 111.1 | L376 G381 F382 L463 K464 | L376-L379 PolarHBondContact O-N 3.25Å; L376-L379 VanDerWaalsContact O-N 3.12Å; L379-G381 PolarHBondContact O-N 3.45Å; L379-F382 HydrophobicContact CB-CB 4.04Å; L379-F382 HydrophobicContact CB-CD2 3.8Å; L379-F382 HydrophobicContact CB-CE2 4.42Å; L379-F382 HydrophobicContact CB-CG 3.86Å; L379-F382 HydrophobicContact CD1-CD1 4.25Å; L379-F382 HydrophobicContact CD1-CD2 4.36Å; L379-F382 HydrophobicContact CD1-CE1 4.16Å; L379-F382 HydrophobicContact CD1-CE2 4.27Å; L379-F382 HydrophobicContact CD1-CG 4.36Å; L379-F382 HydrophobicContact CD1-CZ 4.17Å; L379-F382 PolarHBondContact O-N 2.98Å; L379-L463 HydrophobicContact CD1-CD2 3.94Å; L379-L463 HydrophobicContact CD1-CG 3.97Å; L379-K464 HydrophobicContact CD2-CB 3.7Å; L379-K464 HydrophobicContact CD2-CD 4.34Å; L379-K464 HydrophobicContact CD2-CG 3.68Å |
| 380 | Q | 97.7 | Very high | 97.8 | Very high | 152 Ų | 152 | 46.1 Ų | 46.1 | 71% | 0.71 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 130.4 | 176.9 | 178.3 | -178.5 | -10.2 | 0 | 0 | 111 | F382 H467 L471 | Q380-F382 PolarHBondContact O-N 3.37Å; Q380-H467 PolarHBondContact O-NE2 2.72Å; Q380-L471 HydrophobicContact CB-CD1 4.18Å; Q380-L471 HydrophobicContact CG-CD1 4.25Å |
| 381 | G | 97.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 27% | 0.268 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 13 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | L379 I397 D398 | L379-G381 PolarHBondContact O-N 3.45Å; G381-I397 WeakPolarHBondContact O-CA 3.39Å; G381-D398 PolarHBondContact O-N 3Å |
| 382 | F | 98.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 144.4 | 169.3 | -87 | -121.7 | 0 | 0 | 0 | 110.8 | L376 L379 Q380 P395 R396 I397 Y418 F445 L463 H467 | L376-F382 HydrophobicContact CB-CD1 4.27Å; L376-F382 HydrophobicContact CD2-CD1 3.93Å; L376-F382 HydrophobicContact CD2-CE1 3.78Å; L376-F382 WeakPolarHBondContact O-CB 3.22Å; L379-F382 HydrophobicContact CB-CB 4.04Å; L379-F382 HydrophobicContact CB-CD2 3.8Å; L379-F382 HydrophobicContact CB-CE2 4.42Å; L379-F382 HydrophobicContact CB-CG 3.86Å; L379-F382 HydrophobicContact CD1-CD1 4.25Å; L379-F382 HydrophobicContact CD1-CD2 4.36Å; L379-F382 HydrophobicContact CD1-CE1 4.16Å; L379-F382 HydrophobicContact CD1-CE2 4.27Å; L379-F382 HydrophobicContact CD1-CG 4.36Å; L379-F382 HydrophobicContact CD1-CZ 4.17Å; L379-F382 PolarHBondContact O-N 2.98Å; Q380-F382 PolarHBondContact O-N 3.37Å; F382-P395 HydrophobicContact CD1-CB 3.99Å; F382-P395 HydrophobicContact CE1-CB 4.26Å; F382-P395 HydrophobicContact CE1-CG 4.44Å; F382-R396 WeakPolarHBondContact CA-O 3.49Å; F382-I397 HydrophobicContact CD2-CG1 4.41Å; F382-I397 HydrophobicContact CD2-CG2 4.14Å; F382-I397 HydrophobicContact CE1-CD1 4.29Å; F382-I397 HydrophobicContact CE1-CG1 4.03Å; F382-I397 HydrophobicContact CE2-CB 4.36Å; F382-I397 HydrophobicContact CE2-CD1 4.18Å; F382-I397 HydrophobicContact CE2-CG1 3.92Å; F382-I397 HydrophobicContact CE2-CG2 3.7Å; F382-I397 HydrophobicContact CZ-CD1 3.73Å; F382-I397 HydrophobicContact CZ-CG1 3.72Å; F382-I397 HydrophobicContact CZ-CG2 4.31Å; F382-Y418 WeakPolarHBondContact CZ-OH 3.43Å; F382-F445 AromaticContact CE1-CE1 3.84Å; F382-F445 HydrophobicContact CE1-CE1 3.84Å; F382-F445 AromaticContact CE1-CZ 3.91Å; F382-F445 HydrophobicContact CE1-CZ 3.91Å; F382-F445 AromaticContact CZ-CE1 3.98Å; F382-F445 HydrophobicContact CZ-CE1 3.98Å; F382-F445 HydrophobicContact CZ-CZ 4.4Å; F382-L463 HydrophobicContact CE1-CD2 4.26Å; F382-H467 AromaticContact CD2-NE2 3.69Å; F382-H467 AromaticContact CE2-CD2 3.76Å; F382-H467 AromaticContact CE2-CE1 3.48Å; F382-H467 VanDerWaalsContact CE2-CE1 3.48Å; F382-H467 WeakPolarHBondContact CE2-CE1 3.44Å; F382-H467 AromaticContact CE2-CG 3.79Å; F382-H467 AromaticContact CE2-ND1 3.62Å; F382-H467 AromaticContact CE2-NE2 3.54Å |
| 383 | S | 98.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 39 Ų | 39 | 43% | 0.427 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 130 | 162.1 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | P395 R396 | S383-P395 CarbonylContact O-C 3.54Å; S383-P395 WeakPolarHBondContact O-CA 3.32Å; S383-R396 PolarHBondContact N-O 3.01Å; S383-R396 PolarHBondContact O-N 3.46Å |
| 384 | C | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | trans | -133 | 115.5 | 179.8 | -170.3 | 0 | 0 | 0 | 0 | 110 | L376 N377 P395 | L376-C384 HydrophobicContact CB-CB 3.88Å; L376-C384 HydrophobicContact CD1-CB 4.3Å; N377-C384 PolarHBondContact ND2-O 2.96Å; N377-C384 PolarHBondContact OD1-N 2.94Å; N377-C384 PolarHBondContact OD1-O 3.05Å; C384-P395 HydrophobicContact CB-CB 4.11Å | ||
| 385 | N | 98 | Very high | 97.9 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 17% | 0.171 | 18% | 0.182 | C | C | . | . | trans | -59.9 | 149.1 | 169.9 | -82.6 | -49.7 | 0 | 0 | 0 | 111.2 | E189 W193 I387 | E189-N385 PolarHBondContact O-ND2 3Å; W193-N385 VanDerWaalsContact CD1-ND2 3.28Å; W193-N385 PolarHBondContact NE1-ND2 3.41Å; W193-N385 VanDerWaalsContact NE1-ND2 3.15Å; N385-I387 PolarHBondContact O-N 3.5Å | ||
| 386 | P | 96.9 | Very high | 97.9 | Very high | 79 Ų | 79 | 32.9 Ų | 32.9 | 51% | 0.513 | 19% | 0.187 | S | C | . | . | trans | -59.5 | 135.1 | 175.4 | -22.6 | 33.5 | 0 | 0 | 0 | 112.4 | T388 | P386-T388 HydrophobicContact CB-CG2 4.3Å; P386-T388 PolarHBondContact O-N 3.23Å; P386-T388 VanDerWaalsContact O-N 3.09Å | ||
| 387 | I | 97.2 | Very high | 97.9 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | trans | -80.4 | 90.7 | 172.9 | -52.4 | 166 | 0 | 0 | 0 | 107.4 | Y259 A369 T372 N385 G389 Y392 A393 I449 | Y259-I387 HydrophobicContact CD2-CG2 4.17Å; Y259-I387 HydrophobicContact CE2-CG2 4.21Å; A369-I387 HydrophobicContact CB-CB 3.98Å; A369-I387 HydrophobicContact CB-CD1 4.33Å; A369-I387 HydrophobicContact CB-CG2 4.04Å; T372-I387 HydrophobicContact CG2-CD1 4.21Å; N385-I387 PolarHBondContact O-N 3.5Å; I387-G389 VanDerWaalsContact CG2-O 3.3Å; I387-G389 WeakPolarHBondContact CG2-O 3.14Å; I387-Y392 WeakPolarHBondContact CG2-O 3.5Å; I387-A393 HydrophobicContact CD1-CB 3.52Å; I387-A393 HydrophobicContact CG1-CB 3.9Å; I387-I449 HydrophobicContact CD1-CG2 3.71Å; I387-I449 HydrophobicContact CG2-CD1 4.48Å | ||
| 388 | T | 95.9 | Very high | 97.9 | Very high | 39 Ų | 39 | 34 Ų | 34 | 24% | 0.239 | 19% | 0.193 | C | C | . | . | trans | -85.2 | -15.8 | -179 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | G226 Q227 L228 Y259 A260 P386 | G226-T388 PolarHBondContact O-N 3.11Å; G226-T388 PolarHBondContact O-OG1 3.39Å; Q227-T388 WeakPolarHBondContact CA-OG1 3.41Å; L228-T388 PolarHBondContact N-OG1 2.86Å; Y259-T388 PolarHBondContact N-O 3.31Å; A260-T388 HydrophobicContact CB-CG2 4.38Å; A260-T388 PolarHBondContact N-O 3Å; P386-T388 HydrophobicContact CB-CG2 4.3Å; P386-T388 PolarHBondContact O-N 3.23Å; P386-T388 VanDerWaalsContact O-N 3.09Å | ||
| 389 | G | 96.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -162 | -165.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G226 N257 I387 | G226-G389 PolarHBondContact O-N 2.69Å; N257-G389 CarbonylContact O-C 3.35Å; N257-G389 WeakPolarHBondContact O-CA 3.31Å; I387-G389 VanDerWaalsContact CG2-O 3.3Å; I387-G389 WeakPolarHBondContact CG2-O 3.14Å |
| 390 | A | 97.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -142.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P221 G222 Y254 N257 Y259 | P221-A390 HydrophobicContact CB-CB 4.14Å; G222-A390 WeakPolarHBondContact O-CB 3.33Å; Y254-A390 HydrophobicContact CD1-CB 3.68Å; Y254-A390 HydrophobicContact CD2-CB 3.79Å; Y254-A390 HydrophobicContact CE1-CB 4.1Å; Y254-A390 HydrophobicContact CE2-CB 4.26Å; Y254-A390 HydrophobicContact CG-CB 3.51Å; N257-A390 WeakPolarHBondContact CB-O 3.05Å; N257-A390 PolarHBondContact O-N 3.15Å; Y259-A390 WeakPolarHBondContact CE2-O 2.92Å; Y259-A390 VanDerWaalsContact CZ-O 3.28Å; Y259-A390 PolarHBondContact OH-O 2.71Å |
| 391 | M | 97.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.6 | 21.7 | -174.3 | -59.6 | -168.2 | -68 | 0 | 0 | 113 | Y254 K293 T448 I449 L450 | Y254-M391 HydrophobicContact CD1-CG 4.38Å; Y254-M391 HydrophobicContact CE1-CB 4.33Å; Y254-M391 HydrophobicContact CE1-CE 3.65Å; Y254-M391 HydrophobicContact CE1-CG 3.89Å; Y254-M391 HydrophobicContact CE1-SD 4.44Å; K293-M391 HydrophobicContact CB-CE 4.46Å; K293-M391 HydrophobicContact CD-CE 3.61Å; M391-T448 VanDerWaalsContact O-CA 3.31Å; M391-T448 WeakPolarHBondContact O-CA 3.07Å; M391-I449 HydrophobicContact CB-CG1 4.32Å; M391-I449 PolarHBondContact O-N 3.43Å; M391-L450 HydrophobicContact CE-CD1 4.28Å; M391-L450 HydrophobicContact CE-CD2 4.41Å; M391-L450 HydrophobicContact SD-CD1 4.34Å; M391-L450 HydrophobicContact SD-CD2 3.48Å; M391-L450 WeakPolarHBondContact SD-CD2 3.49Å; M391-L450 HydrophobicContact SD-CG 4.08Å |
| 392 | Y | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.02 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.2 | -170.1 | -50 | -67.6 | 0 | 0 | 0 | 112.4 | G49 N223 P224 Y254 I387 R446 I447 T448 | G49-Y392 VanDerWaalsContact CA-OH 3.23Å; G49-Y392 WeakPolarHBondContact CA-OH 3.18Å; G49-Y392 PolarHBondContact N-OH 2.97Å; N223-Y392 HydrophobicContact CB-CD2 3.98Å; N223-Y392 HydrophobicContact CB-CE2 3.95Å; N223-Y392 WeakPolarHBondContact OD1-CD2 3.48Å; N223-Y392 VanDerWaalsContact OD1-CE2 3.31Å; N223-Y392 WeakPolarHBondContact OD1-CE2 3.2Å; P224-Y392 VanDerWaalsContact O-CB 3.32Å; P224-Y392 WeakPolarHBondContact O-CB 3.3Å; Y254-Y392 HydrophobicContact CE1-CE2 4.42Å; Y254-Y392 HydrophobicContact CE2-CE2 4.14Å; Y254-Y392 AromaticContact CZ-CE2 3.63Å; Y254-Y392 WeakPolarHBondContact OH-CE2 3.34Å; Y254-Y392 PolarHBondContact OH-OH 3.38Å; I387-Y392 WeakPolarHBondContact CG2-O 3.5Å; Y392-R446 HydrophobicContact CD1-CG 4Å; Y392-R446 HydrophobicContact CG-CG 4.08Å; Y392-I447 VanDerWaalsContact CA-O 3.29Å; Y392-I447 WeakPolarHBondContact CA-O 3.37Å; Y392-T448 HydrophobicContact CD1-CG2 3.76Å; Y392-T448 HydrophobicContact CE1-CG2 3.54Å |
| 393 | A | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 152.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T372 L376 I387 R446 I447 | T372-A393 HydrophobicContact CG2-CB 4.01Å; L376-A393 HydrophobicContact CD1-CB 4.08Å; I387-A393 HydrophobicContact CD1-CB 3.52Å; I387-A393 HydrophobicContact CG1-CB 3.9Å; A393-R446 WeakPolarHBondContact O-CA 3.44Å; A393-I447 HydrophobicContact CB-CG2 3.68Å; A393-I447 PolarHBondContact N-O 3.43Å; A393-I447 PolarHBondContact O-N 3.29Å; A393-I447 VanDerWaalsContact O-N 3.11Å |
| 394 | F | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | trans | -130.4 | 66.7 | 174 | -156.2 | -114.9 | 0 | 0 | 0 | 110.6 | P166 W193 P224 T225 F436 H444 F445 R446 | P166-F394 HydrophobicContact CB-CD1 4.37Å; P166-F394 HydrophobicContact CB-CE1 3.8Å; P166-F394 HydrophobicContact CB-CZ 4.06Å; P166-F394 HydrophobicContact CG-CD1 3.74Å; P166-F394 HydrophobicContact CG-CE1 3.33Å; P166-F394 HydrophobicContact CG-CZ 4.1Å; W193-F394 HydrophobicContact CH2-CD1 4.36Å; W193-F394 AromaticContact CZ2-CD1 3.97Å; W193-F394 HydrophobicContact CZ2-CD1 3.97Å; P224-F394 HydrophobicContact CB-CB 4.45Å; P224-F394 HydrophobicContact CB-CD2 3.58Å; P224-F394 HydrophobicContact CB-CE2 3.97Å; P224-F394 HydrophobicContact CB-CG 4.14Å; P224-F394 HydrophobicContact CG-CB 4.49Å; P224-F394 HydrophobicContact CG-CD1 4.28Å; P224-F394 HydrophobicContact CG-CD2 3.58Å; P224-F394 HydrophobicContact CG-CE1 4.36Å; P224-F394 HydrophobicContact CG-CE2 3.68Å; P224-F394 HydrophobicContact CG-CG 3.88Å; P224-F394 HydrophobicContact CG-CZ 4.06Å; T225-F394 HydrophobicContact CG2-CB 4.4Å; T225-F394 HydrophobicContact CG2-CD1 4.4Å; F394-F436 HydrophobicContact CE2-CB 4.4Å; F394-F436 AromaticContact CE2-CD2 3.6Å; F394-F436 HydrophobicContact CE2-CD2 3.6Å; F394-F436 HydrophobicContact CE2-CE2 4.09Å; F394-F436 HydrophobicContact CE2-CG 4.12Å; F394-F436 HydrophobicContact CZ-CB 4.16Å; F394-F436 HydrophobicContact CZ-CD2 4.06Å; F394-F436 HydrophobicContact CZ-CG 4.37Å; F394-H444 HydrophobicContact CD1-CB 3.76Å; F394-H444 AromaticContact CD1-CD2 3.69Å; F394-H444 AromaticContact CD1-CG 3.75Å; F394-H444 HydrophobicContact CD2-CB 4.35Å; F394-H444 HydrophobicContact CE1-CB 3.36Å; F394-H444 AromaticContact CE1-CD2 3.82Å; F394-H444 AromaticContact CE1-CG 3.43Å; F394-H444 VanDerWaalsContact CE1-CG 3.43Å; F394-H444 AromaticContact CE1-ND1 3.89Å; F394-H444 HydrophobicContact CE2-CB 4.01Å; F394-H444 HydrophobicContact CG-CB 4.26Å; F394-H444 HydrophobicContact CZ-CB 3.52Å; F394-F445 WeakPolarHBondContact CA-O 3.47Å; F394-F445 WeakPolarHBondContact CD2-O 3.44Å; F394-R446 HydrophobicContact CD2-CB 3.83Å; F394-R446 HydrophobicContact CD2-CG 4.44Å; F394-R446 HydrophobicContact CE2-CB 4.08Å | ||
| 395 | P | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -61.8 | 142.6 | 179.9 | 27 | -38.1 | 0 | 0 | 0 | 111.6 | L376 F382 S383 C384 H444 F445 | L376-P395 HydrophobicContact CD1-CB 4.07Å; L376-P395 HydrophobicContact CD1-CG 3.88Å; L376-P395 HydrophobicContact CD2-CG 4.28Å; F382-P395 HydrophobicContact CD1-CB 3.99Å; F382-P395 HydrophobicContact CE1-CB 4.26Å; F382-P395 HydrophobicContact CE1-CG 4.44Å; S383-P395 CarbonylContact O-C 3.54Å; S383-P395 WeakPolarHBondContact O-CA 3.32Å; C384-P395 HydrophobicContact CB-CB 4.11Å; P395-H444 WeakPolarHBondContact O-CA 3.37Å; P395-H444 VanDerWaalsContact O-CB 3.32Å; P395-H444 WeakPolarHBondContact O-CB 3.44Å; P395-H444 PolarHBondContact O-CD2 2.87Å; P395-F445 VanDerWaalsContact CD-O 3.25Å; P395-F445 WeakPolarHBondContact CD-O 3.46Å; P395-F445 HydrophobicContact CG-CD2 4.04Å; P395-F445 HydrophobicContact CG-CE1 4.1Å; P395-F445 HydrophobicContact CG-CE2 3.56Å; P395-F445 HydrophobicContact CG-CG 4.47Å; P395-F445 HydrophobicContact CG-CZ 3.59Å; P395-F445 PolarHBondContact O-N 2.97Å | ||
| 396 | R | 98.8 | Very high | 97.8 | Very high | 82 Ų | 82 | 39.4 Ų | 39.4 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 144.7 | 164.7 | 176.2 | 174.1 | 167.5 | 167.2 | -2.9 | 110.7 | E189 F382 S383 D398 W443 H444 | E189-R396 WeakPolarHBondContact OE1-CB 3.3Å; E189-R396 VanDerWaalsContact OE1-CD 3.28Å; E189-R396 WeakPolarHBondContact OE1-CD 3.36Å; E189-R396 IonicContact OE2-NH1 2.71Å; F382-R396 WeakPolarHBondContact CA-O 3.49Å; S383-R396 PolarHBondContact N-O 3.01Å; S383-R396 PolarHBondContact O-N 3.46Å; R396-D398 IonicContact NE-OD1 3.48Å; R396-D398 IonicContact NH2-OD1 3.66Å; R396-W443 WeakPolarHBondContact CA-O 3.26Å; R396-H444 VanDerWaalsContact CA-CD2 3.46Å; R396-H444 WeakPolarHBondContact CA-CD2 3.17Å |
| 397 | I | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.4 | 177.4 | -43.8 | 174.1 | 0 | 0 | 0 | 109.5 | G381 F382 L399 Y418 W443 F445 | G381-I397 WeakPolarHBondContact O-CA 3.39Å; F382-I397 HydrophobicContact CD2-CG1 4.41Å; F382-I397 HydrophobicContact CD2-CG2 4.14Å; F382-I397 HydrophobicContact CE1-CD1 4.29Å; F382-I397 HydrophobicContact CE1-CG1 4.03Å; F382-I397 HydrophobicContact CE2-CB 4.36Å; F382-I397 HydrophobicContact CE2-CD1 4.18Å; F382-I397 HydrophobicContact CE2-CG1 3.92Å; F382-I397 HydrophobicContact CE2-CG2 3.7Å; F382-I397 HydrophobicContact CZ-CD1 3.73Å; F382-I397 HydrophobicContact CZ-CG1 3.72Å; F382-I397 HydrophobicContact CZ-CG2 4.31Å; I397-L399 VanDerWaalsContact C-N 3.34Å; I397-L399 HydrophobicContact CB-CD2 4.35Å; I397-L399 HydrophobicContact CB-CG 4.42Å; I397-L399 HydrophobicContact CG2-CD2 3.76Å; I397-L399 HydrophobicContact CG2-CG 4.23Å; I397-L399 PolarHBondContact O-N 3.19Å; I397-Y418 HydrophobicContact CD1-CD1 3.81Å; I397-Y418 HydrophobicContact CD1-CD2 4.5Å; I397-Y418 HydrophobicContact CD1-CE1 3.58Å; I397-Y418 HydrophobicContact CD1-CE2 4.28Å; I397-Y418 HydrophobicContact CD1-CG 4.27Å; I397-W443 PolarHBondContact N-O 2.99Å; I397-F445 HydrophobicContact CD1-CD1 3.56Å; I397-F445 HydrophobicContact CD1-CE1 3.53Å; I397-F445 HydrophobicContact CG1-CD1 4.49Å; I397-F445 HydrophobicContact CG1-CE1 4.33Å |
| 398 | D | 98 | Very high | 97.8 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | trans | -79.8 | 84.6 | 169.2 | -65.9 | -32.5 | 0 | 0 | 0 | 109.3 | G381 R396 | G381-D398 PolarHBondContact O-N 3Å; R396-D398 IonicContact NE-OD1 3.48Å; R396-D398 IonicContact NH2-OD1 3.66Å | ||
| 399 | L | 98.1 | Very high | 97.9 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | trans | -68.1 | 135.9 | 179.6 | -66.7 | 176.9 | 0 | 0 | 0 | 111.6 | I397 I404 P414 Y418 W443 F470 | I397-L399 VanDerWaalsContact C-N 3.34Å; I397-L399 HydrophobicContact CB-CD2 4.35Å; I397-L399 HydrophobicContact CB-CG 4.42Å; I397-L399 HydrophobicContact CG2-CD2 3.76Å; I397-L399 HydrophobicContact CG2-CG 4.23Å; I397-L399 PolarHBondContact O-N 3.19Å; L399-I404 HydrophobicContact CB-CD1 4.31Å; L399-I404 HydrophobicContact CB-CG1 4.04Å; L399-I404 WeakPolarHBondContact O-CD1 3.49Å; L399-P414 HydrophobicContact CD1-CB 3.61Å; L399-Y418 HydrophobicContact CD2-CD2 3.61Å; L399-Y418 HydrophobicContact CD2-CE2 4.24Å; L399-Y418 HydrophobicContact CD2-CG 4.2Å; L399-W443 HydrophobicContact CD1-CB 3.83Å; L399-W443 HydrophobicContact CD1-CD2 4.39Å; L399-W443 HydrophobicContact CD1-CG 3.74Å; L399-W443 HydrophobicContact CG-CB 4.27Å; L399-W443 HydrophobicContact CG-CG 4.35Å; L399-F470 HydrophobicContact CD2-CE1 3.93Å; L399-F470 HydrophobicContact CD2-CZ 4.36Å | ||
| 400 | P | 97.7 | Very high | 97.8 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | trans | -57.7 | 146.9 | 175.5 | -25.8 | 34.3 | 0 | 0 | 0 | 113 | K402 A403 I404 L471 Y474 | P400-K402 VanDerWaalsContact C-N 3.27Å; P400-K402 PolarHBondContact O-N 2.79Å; P400-A403 HydrophobicContact CB-CB 4.39Å; P400-A403 WeakPolarHBondContact O-CB 3.43Å; P400-A403 PolarHBondContact O-N 3.38Å; P400-I404 PolarHBondContact O-N 2.92Å; P400-I404 VanDerWaalsContact O-N 3.07Å; P400-L471 HydrophobicContact CG-CD2 3.72Å; P400-Y474 WeakPolarHBondContact CB-O 3.3Å | ||
| 401 | K | 97.4 | Very high | 97.8 | Very high | 171 Ų | 171 | 54.1 Ų | 54.1 | 74% | 0.743 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -53.8 | -43.7 | 179.6 | -70.4 | -175.7 | 179.9 | 178.6 | 0 | 112.5 | A403 I404 E405 | K401-A403 PolarHBondContact O-N 3.16Å; K401-I404 WeakPolarHBondContact O-CB 3.43Å; K401-I404 PolarHBondContact O-N 2.96Å; K401-I404 VanDerWaalsContact O-N 3.16Å; K401-E405 WeakPolarHBondContact O-CG 3.13Å; K401-E405 PolarHBondContact O-N 3.47Å |
| 402 | K | 98 | Very high | 97.7 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 177.8 | 170.5 | -172.7 | 179 | -160.7 | 0 | 112.3 | P400 E405 I406 K473 Y474 | P400-K402 VanDerWaalsContact C-N 3.27Å; P400-K402 PolarHBondContact O-N 2.79Å; K402-E405 PolarHBondContact O-N 2.96Å; K402-I406 HydrophobicContact CG-CD1 3.87Å; K402-I406 WeakPolarHBondContact O-CB 3.29Å; K402-I406 VanDerWaalsContact O-CG1 3.25Å; K402-I406 WeakPolarHBondContact O-CG1 3.38Å; K402-I406 PolarHBondContact O-N 3.17Å; K402-K473 PolarHBondContact NZ-O 2.85Å; K402-Y474 WeakPolarHBondContact CB-O 3.09Å |
| 403 | A | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P400 K401 I406 A407 M417 F470 Y474 | P400-A403 HydrophobicContact CB-CB 4.39Å; P400-A403 WeakPolarHBondContact O-CB 3.43Å; P400-A403 PolarHBondContact O-N 3.38Å; K401-A403 PolarHBondContact O-N 3.16Å; A403-I406 PolarHBondContact O-N 3.17Å; A403-A407 WeakPolarHBondContact O-CB 3.36Å; A403-A407 PolarHBondContact O-N 3.05Å; A403-M417 HydrophobicContact CB-CE 3.99Å; A403-M417 WeakPolarHBondContact O-CE 3.3Å; A403-F470 HydrophobicContact CB-CE1 3.87Å; A403-F470 HydrophobicContact CB-CZ 3.84Å; A403-Y474 HydrophobicContact CB-CD1 4.35Å; A403-Y474 HydrophobicContact CB-CD2 4.33Å; A403-Y474 HydrophobicContact CB-CG 3.94Å |
| 404 | I | 98.1 | Very high | 97.6 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 178.4 | -64 | 168.4 | 0 | 0 | 0 | 110.9 | L399 P400 K401 A407 K408 P414 | L399-I404 HydrophobicContact CB-CD1 4.31Å; L399-I404 HydrophobicContact CB-CG1 4.04Å; L399-I404 WeakPolarHBondContact O-CD1 3.49Å; P400-I404 PolarHBondContact O-N 2.92Å; P400-I404 VanDerWaalsContact O-N 3.07Å; K401-I404 WeakPolarHBondContact O-CB 3.43Å; K401-I404 PolarHBondContact O-N 2.96Å; K401-I404 VanDerWaalsContact O-N 3.16Å; I404-A407 PolarHBondContact O-N 2.73Å; I404-K408 HydrophobicContact CG2-CD 4.18Å; I404-K408 WeakPolarHBondContact O-CB 3.36Å; I404-K408 VanDerWaalsContact O-CG 3.31Å; I404-K408 WeakPolarHBondContact O-CG 3.24Å; I404-K408 PolarHBondContact O-N 3.2Å; I404-P414 HydrophobicContact CB-CG 4.27Å; I404-P414 HydrophobicContact CG1-CB 4.19Å; I404-P414 HydrophobicContact CG1-CG 4.23Å; I404-P414 HydrophobicContact CG2-CG 3.94Å |
| 405 | E | 98.1 | Very high | 97.5 | Very high | 126 Ų | 126 | 61 Ų | 61 | 59% | 0.589 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 178.7 | -73.3 | 167.9 | -174.7 | 0 | 0 | 112.3 | K401 K402 K408 S409 | K401-E405 WeakPolarHBondContact O-CG 3.13Å; K401-E405 PolarHBondContact O-N 3.47Å; K402-E405 PolarHBondContact O-N 2.96Å; E405-K408 PolarHBondContact O-N 3.13Å; E405-S409 PolarHBondContact O-N 3.03Å |
| 406 | I | 97.9 | Very high | 97.4 | Very high | 46 Ų | 46 | 63 Ų | 63 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 176.7 | -71 | 169 | 0 | 0 | 0 | 111.4 | K402 A403 K408 S409 K410 M417 Y474 | K402-I406 HydrophobicContact CG-CD1 3.87Å; K402-I406 WeakPolarHBondContact O-CB 3.29Å; K402-I406 VanDerWaalsContact O-CG1 3.25Å; K402-I406 WeakPolarHBondContact O-CG1 3.38Å; K402-I406 PolarHBondContact O-N 3.17Å; A403-I406 PolarHBondContact O-N 3.17Å; I406-K408 VanDerWaalsContact C-N 3.33Å; I406-K408 PolarHBondContact O-N 3.32Å; I406-S409 PolarHBondContact O-N 2.98Å; I406-S409 PolarHBondContact O-OG 3.25Å; I406-K410 HydrophobicContact CG2-CD 4.43Å; I406-K410 WeakPolarHBondContact O-CG 3.26Å; I406-K410 PolarHBondContact O-N 2.88Å; I406-M417 HydrophobicContact CG2-SD 4.07Å; I406-Y474 HydrophobicContact CD1-CD1 3.8Å; I406-Y474 HydrophobicContact CD1-CE1 3.62Å |
| 407 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A403 I404 S409 K410 G411 M412 P414 M417 | A403-A407 WeakPolarHBondContact O-CB 3.36Å; A403-A407 PolarHBondContact O-N 3.05Å; I404-A407 PolarHBondContact O-N 2.73Å; A407-S409 PolarHBondContact O-N 2.66Å; A407-K410 PolarHBondContact O-N 2.88Å; A407-G411 PolarHBondContact O-N 3.09Å; A407-M412 CarbonylContact C-O 3.27Å; A407-M412 VanDerWaalsContact C-O 3.27Å; A407-M412 PolarHBondContact O-N 3.43Å; A407-M412 VanDerWaalsContact O-O 3.08Å; A407-P414 HydrophobicContact CB-CB 4.22Å; A407-P414 HydrophobicContact CB-CG 4.04Å; A407-M417 HydrophobicContact CB-CB 4.04Å; A407-M417 HydrophobicContact CB-CE 4.2Å; A407-M417 HydrophobicContact CB-SD 3.8Å |
| 408 | K | 96.4 | Very high | 97.4 | Very high | 141 Ų | 141 | 59.1 Ų | 59.1 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 177.3 | -74.5 | 177 | -179.7 | -179.3 | 0 | 112.7 | I404 E405 I406 K410 G411 | I404-K408 HydrophobicContact CG2-CD 4.18Å; I404-K408 WeakPolarHBondContact O-CB 3.36Å; I404-K408 VanDerWaalsContact O-CG 3.31Å; I404-K408 WeakPolarHBondContact O-CG 3.24Å; I404-K408 PolarHBondContact O-N 3.2Å; E405-K408 PolarHBondContact O-N 3.13Å; I406-K408 VanDerWaalsContact C-N 3.33Å; I406-K408 PolarHBondContact O-N 3.32Å; K408-K410 PolarHBondContact O-N 3.31Å; K408-G411 PolarHBondContact O-N 3.31Å |
| 409 | S | 97.4 | Very high | 97.4 | Very high | 100 Ų | 100 | 54.7 Ų | 54.7 | 70% | 0.699 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.2 | -24.5 | 179 | 73.2 | 0 | 0 | 0 | 0 | 113 | E405 I406 A407 G411 | E405-S409 PolarHBondContact O-N 3.03Å; I406-S409 PolarHBondContact O-N 2.98Å; I406-S409 PolarHBondContact O-OG 3.25Å; A407-S409 PolarHBondContact O-N 2.66Å; S409-G411 VanDerWaalsContact C-N 3.34Å |
| 410 | K | 96.1 | Very high | 97.4 | Very high | 123 Ų | 123 | 55.5 Ų | 55.5 | 54% | 0.535 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -0 | 171.3 | -65.7 | 177.6 | -179.7 | 178.5 | 0 | 113.9 | I406 A407 K408 M412 | I406-K410 HydrophobicContact CG2-CD 4.43Å; I406-K410 WeakPolarHBondContact O-CG 3.26Å; I406-K410 PolarHBondContact O-N 2.88Å; A407-K410 PolarHBondContact O-N 2.88Å; K408-K410 PolarHBondContact O-N 3.31Å; K410-M412 VanDerWaalsContact C-N 3.29Å; K410-M412 HydrophobicContact CB-CG 3.99Å; K410-M412 HydrophobicContact CB-SD 3.82Å; K410-M412 HydrophobicContact CD-SD 4.16Å; K410-M412 PolarHBondContact O-N 2.89Å |
| 411 | G | 95.7 | Very high | 97.4 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 75% | 0.753 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 25 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | A407 K408 S409 | A407-G411 PolarHBondContact O-N 3.09Å; K408-G411 PolarHBondContact O-N 3.31Å; S409-G411 VanDerWaalsContact C-N 3.34Å |
| 412 | M | 95 | Very high | 97.5 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | trans | -113.7 | 152 | -175.5 | -59 | 172.6 | 69 | 0 | 0 | 110.9 | A407 K410 F416 L420 | A407-M412 CarbonylContact C-O 3.27Å; A407-M412 VanDerWaalsContact C-O 3.27Å; A407-M412 PolarHBondContact O-N 3.43Å; A407-M412 VanDerWaalsContact O-O 3.08Å; K410-M412 VanDerWaalsContact C-N 3.29Å; K410-M412 HydrophobicContact CB-CG 3.99Å; K410-M412 HydrophobicContact CB-SD 3.82Å; K410-M412 HydrophobicContact CD-SD 4.16Å; K410-M412 PolarHBondContact O-N 2.89Å; M412-F416 HydrophobicContact CE-CD1 3.32Å; M412-F416 HydrophobicContact CE-CE1 3.35Å; M412-L420 HydrophobicContact CE-CD2 3.86Å | ||
| 413 | Q | 96.4 | Very high | 97.5 | Very high | 101 Ų | 101 | 42.6 Ų | 42.6 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | trans | -71.6 | 138.6 | 168.9 | -66.1 | -64.2 | -21.8 | 0 | 0 | 109.9 | D415 F416 M417 | Q413-D415 VanDerWaalsContact CB-OD1 3.29Å; Q413-D415 WeakPolarHBondContact CB-OD1 3.46Å; Q413-D415 PolarHBondContact O-N 3.18Å; Q413-F416 HydrophobicContact CB-CB 4.1Å; Q413-F416 WeakPolarHBondContact O-CB 3.47Å; Q413-F416 PolarHBondContact O-N 2.97Å; Q413-F416 VanDerWaalsContact O-N 3.13Å; Q413-M417 PolarHBondContact O-N 3.32Å | ||
| 414 | P | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -52.5 | -44.1 | 177.4 | -30.9 | 35.9 | 0 | 0 | 0 | 115.3 | L399 I404 A407 M417 Y418 W443 | L399-P414 HydrophobicContact CD1-CB 3.61Å; I404-P414 HydrophobicContact CB-CG 4.27Å; I404-P414 HydrophobicContact CG1-CB 4.19Å; I404-P414 HydrophobicContact CG1-CG 4.23Å; I404-P414 HydrophobicContact CG2-CG 3.94Å; A407-P414 HydrophobicContact CB-CB 4.22Å; A407-P414 HydrophobicContact CB-CG 4.04Å; P414-M417 PolarHBondContact O-N 2.83Å; P414-Y418 PolarHBondContact O-N 3.37Å; P414-W443 HydrophobicContact CB-CD2 3.86Å; P414-W443 HydrophobicContact CB-CE3 4.02Å; P414-W443 HydrophobicContact CB-CG 4.47Å; P414-W443 HydrophobicContact CB-CH2 4.24Å; P414-W443 HydrophobicContact CB-CZ2 4.07Å; P414-W443 HydrophobicContact CB-CZ3 4.21Å; P414-W443 VanDerWaalsContact CD-CH2 3.41Å; P414-W443 HydrophobicContact CG-CD2 4.24Å; P414-W443 HydrophobicContact CG-CE3 4.29Å; P414-W443 HydrophobicContact CG-CH2 3.61Å; P414-W443 HydrophobicContact CG-CZ2 3.51Å; P414-W443 HydrophobicContact CG-CZ3 3.99Å |
| 415 | D | 98 | Very high | 97.4 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 176.3 | 53.1 | 14.7 | 0 | 0 | 0 | 113.1 | Q413 Y418 C419 P432 G433 S434 Q438 W443 H444 | Q413-D415 VanDerWaalsContact CB-OD1 3.29Å; Q413-D415 WeakPolarHBondContact CB-OD1 3.46Å; Q413-D415 PolarHBondContact O-N 3.18Å; D415-Y418 PolarHBondContact O-N 3.42Å; D415-C419 WeakPolarHBondContact O-CB 3.42Å; D415-C419 PolarHBondContact O-N 3.06Å; D415-C419 PolarHBondContact O-SG 3.38Å; D415-P432 HydrophobicContact CB-CB 4.14Å; D415-G433 WeakPolarHBondContact OD2-CA 3.3Å; D415-G433 PolarHBondContact OD2-N 3.46Å; D415-S434 WeakPolarHBondContact OD1-CB 3.36Å; D415-S434 PolarHBondContact OD1-OG 3.48Å; D415-S434 WeakPolarHBondContact OD2-CB 3.24Å; D415-S434 PolarHBondContact OD2-N 3.46Å; D415-S434 PolarHBondContact OD2-OG 3.26Å; D415-Q438 PolarHBondContact OD2-NE2 3.03Å; D415-W443 HydrophobicContact CB-CB 4.36Å; D415-W443 HydrophobicContact CB-CE3 4.04Å; D415-H444 WeakPolarHBondContact CB-O 3.42Å |
| 416 | F | 97 | Very high | 97.3 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 173.4 | -178 | -81.8 | 0 | 0 | 0 | 110.9 | P20 I21 M412 Q413 C419 L420 P432 | P20-F416 HydrophobicContact CB-CE2 3.95Å; P20-F416 HydrophobicContact CB-CZ 3.93Å; P20-F416 HydrophobicContact CG-CE2 4.36Å; I21-F416 HydrophobicContact CD1-CD2 4.19Å; I21-F416 HydrophobicContact CD1-CE2 4.19Å; I21-F416 HydrophobicContact CG1-CD2 4.02Å; I21-F416 HydrophobicContact CG1-CE2 3.54Å; I21-F416 HydrophobicContact CG1-CZ 4.08Å; M412-F416 HydrophobicContact CE-CD1 3.32Å; M412-F416 HydrophobicContact CE-CE1 3.35Å; Q413-F416 HydrophobicContact CB-CB 4.1Å; Q413-F416 WeakPolarHBondContact O-CB 3.47Å; Q413-F416 PolarHBondContact O-N 2.97Å; Q413-F416 VanDerWaalsContact O-N 3.13Å; F416-C419 PolarHBondContact O-N 3.45Å; F416-L420 HydrophobicContact CE1-CB 4.34Å; F416-L420 HydrophobicContact CE1-CD2 4.08Å; F416-L420 VanDerWaalsContact O-CB 3.28Å; F416-L420 WeakPolarHBondContact O-CB 3.24Å; F416-L420 PolarHBondContact O-N 3.41Å; F416-P432 HydrophobicContact CB-CB 4.33Å; F416-P432 HydrophobicContact CB-CG 4.33Å; F416-P432 HydrophobicContact CD2-CG 4.03Å |
| 417 | M | 97.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 176.1 | -173.8 | -173.1 | 75.8 | 0 | 0 | 111.3 | A403 I406 A407 Q413 P414 C419 L420 E421 F470 Y474 | A403-M417 HydrophobicContact CB-CE 3.99Å; A403-M417 WeakPolarHBondContact O-CE 3.3Å; I406-M417 HydrophobicContact CG2-SD 4.07Å; A407-M417 HydrophobicContact CB-CB 4.04Å; A407-M417 HydrophobicContact CB-CE 4.2Å; A407-M417 HydrophobicContact CB-SD 3.8Å; Q413-M417 PolarHBondContact O-N 3.32Å; P414-M417 PolarHBondContact O-N 2.83Å; M417-C419 PolarHBondContact O-N 3.12Å; M417-L420 PolarHBondContact O-N 3.01Å; M417-E421 PolarHBondContact O-N 3.12Å; M417-F470 HydrophobicContact CE-CE2 4.16Å; M417-F470 HydrophobicContact CE-CZ 3.86Å; M417-Y474 HydrophobicContact CE-CE2 4.49Å |
| 418 | Y | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -49.5 | 176.9 | -176.2 | -86.5 | 0 | 0 | 0 | 111.8 | F382 I397 L399 P414 D415 L420 E421 L422 F445 L463 F466 H467 F470 | F382-Y418 WeakPolarHBondContact CZ-OH 3.43Å; I397-Y418 HydrophobicContact CD1-CD1 3.81Å; I397-Y418 HydrophobicContact CD1-CD2 4.5Å; I397-Y418 HydrophobicContact CD1-CE1 3.58Å; I397-Y418 HydrophobicContact CD1-CE2 4.28Å; I397-Y418 HydrophobicContact CD1-CG 4.27Å; L399-Y418 HydrophobicContact CD2-CD2 3.61Å; L399-Y418 HydrophobicContact CD2-CE2 4.24Å; L399-Y418 HydrophobicContact CD2-CG 4.2Å; P414-Y418 PolarHBondContact O-N 3.37Å; D415-Y418 PolarHBondContact O-N 3.42Å; Y418-L420 VanDerWaalsContact C-N 3.33Å; Y418-L420 PolarHBondContact O-N 3.15Å; Y418-E421 PolarHBondContact O-N 3Å; Y418-L422 WeakPolarHBondContact O-CB 3.3Å; Y418-L422 PolarHBondContact O-N 2.96Å; Y418-F445 HydrophobicContact CD1-CD1 4.29Å; Y418-F445 HydrophobicContact CE1-CD1 4.11Å; Y418-F445 AromaticContact CE1-CE1 3.87Å; Y418-F445 HydrophobicContact CE1-CE1 3.87Å; Y418-L463 HydrophobicContact CE1-CD1 4.38Å; Y418-F466 HydrophobicContact CD1-CE1 4.1Å; Y418-F466 AromaticContact CD2-CE1 3.94Å; Y418-F466 HydrophobicContact CD2-CE1 3.94Å; Y418-F466 HydrophobicContact CD2-CZ 4.38Å; Y418-F466 HydrophobicContact CE1-CD1 4.33Å; Y418-F466 AromaticContact CE1-CE1 3.71Å; Y418-F466 HydrophobicContact CE1-CE1 3.71Å; Y418-F466 HydrophobicContact CE2-CD1 4.33Å; Y418-F466 AromaticContact CE2-CE1 3.56Å; Y418-F466 HydrophobicContact CE2-CE1 3.56Å; Y418-F466 HydrophobicContact CE2-CZ 4.36Å; Y418-F466 HydrophobicContact CG-CE1 4.2Å; Y418-F466 AromaticContact CZ-CD1 3.93Å; Y418-F466 AromaticContact CZ-CE1 3.43Å; Y418-F466 VanDerWaalsContact CZ-CE1 3.43Å; Y418-F466 WeakPolarHBondContact O-CZ 3.34Å; Y418-H467 AromaticContact CE2-ND1 3.59Å; Y418-H467 AromaticContact CZ-ND1 3.79Å; Y418-H467 PolarHBondContact OH-ND1 3.24Å; Y418-H467 VanDerWaalsContact OH-ND1 3.09Å; Y418-F470 AromaticContact CD2-CD1 3.96Å; Y418-F470 HydrophobicContact CD2-CD1 3.96Å; Y418-F470 HydrophobicContact CD2-CD2 4.14Å; Y418-F470 AromaticContact CD2-CE1 3.8Å; Y418-F470 HydrophobicContact CD2-CE1 3.8Å; Y418-F470 AromaticContact CD2-CE2 3.96Å; Y418-F470 HydrophobicContact CD2-CE2 3.96Å; Y418-F470 HydrophobicContact CD2-CG 4.14Å; Y418-F470 AromaticContact CD2-CZ 3.79Å; Y418-F470 HydrophobicContact CD2-CZ 3.79Å; Y418-F470 HydrophobicContact CE2-CD1 4.01Å; Y418-F470 HydrophobicContact CE2-CD2 4.5Å; Y418-F470 HydrophobicContact CE2-CE1 4.29Å; Y418-F470 HydrophobicContact CE2-CG 4.14Å |
| 419 | C | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.3 | -34.8 | -179.8 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | I21 D415 F416 M417 L423 V430 P432 F445 | I21-C419 HydrophobicContact CD1-CB 3.33Å; D415-C419 WeakPolarHBondContact O-CB 3.42Å; D415-C419 PolarHBondContact O-N 3.06Å; D415-C419 PolarHBondContact O-SG 3.38Å; F416-C419 PolarHBondContact O-N 3.45Å; M417-C419 PolarHBondContact O-N 3.12Å; C419-L423 WeakPolarHBondContact O-CB 3.3Å; C419-L423 PolarHBondContact O-N 3.05Å; C419-V430 HydrophobicContact CB-CG2 3.93Å; C419-P432 HydrophobicContact CB-CB 4.41Å; C419-F445 VanDerWaalsContact SG-CB 3.59Å |
| 420 | L | 97.7 | Very high | 97.3 | Very high | 32 Ų | 32 | 28.6 Ų | 28.6 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -48 | 176.5 | -178.3 | 66 | 0 | 0 | 0 | 111.3 | R24 M412 F416 M417 Y418 L422 L423 E424 | R24-L420 HydrophobicContact CB-CD1 4.33Å; R24-L420 HydrophobicContact CG-CD1 3.91Å; M412-L420 HydrophobicContact CE-CD2 3.86Å; F416-L420 HydrophobicContact CE1-CB 4.34Å; F416-L420 HydrophobicContact CE1-CD2 4.08Å; F416-L420 VanDerWaalsContact O-CB 3.28Å; F416-L420 WeakPolarHBondContact O-CB 3.24Å; F416-L420 PolarHBondContact O-N 3.41Å; M417-L420 PolarHBondContact O-N 3.01Å; Y418-L420 VanDerWaalsContact C-N 3.33Å; Y418-L420 PolarHBondContact O-N 3.15Å; L420-L422 VanDerWaalsContact C-N 3.33Å; L420-L422 PolarHBondContact O-N 3.02Å; L420-L423 WeakPolarHBondContact O-CB 3.39Å; L420-L423 PolarHBondContact O-N 3.4Å; L420-E424 HydrophobicContact CD1-CG 4.27Å; L420-E424 HydrophobicContact CG-CG 4.49Å; L420-E424 WeakPolarHBondContact O-CG 3.31Å; L420-E424 PolarHBondContact O-N 3.07Å |
| 421 | E | 97.9 | Very high | 97.3 | Very high | 17 Ų | 17 | 23 Ų | 23 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 177.7 | -71.6 | -173.2 | -143.3 | 0 | 0 | 111.1 | M417 Y418 L423 E424 E425 F466 K473 Y474 | M417-E421 PolarHBondContact O-N 3.12Å; Y418-E421 PolarHBondContact O-N 3Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 2.96Å; E421-E424 PolarHBondContact O-N 3.05Å; E421-E425 WeakPolarHBondContact O-CB 3.46Å; E421-E425 WeakPolarHBondContact O-CG 3.5Å; E421-E425 PolarHBondContact O-N 3.43Å; E421-F466 HydrophobicContact CB-CE2 3.72Å; E421-F466 HydrophobicContact CB-CZ 3.8Å; E421-K473 IonicContact OE1-NZ 3.9Å; E421-K473 IonicContact OE2-NZ 2.73Å; E421-K473 PolarHBondContact OE2-NZ 3.37Å; E421-Y474 PolarHBondContact OE1-OH 2.94Å; E421-Y474 PolarHBondContact OE2-OH 3.15Å |
| 422 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 174.2 | 175.2 | 61.4 | 0 | 0 | 0 | 112 | Y418 L420 Y426 G427 V428 V430 L463 F466 | Y418-L422 WeakPolarHBondContact O-CB 3.3Å; Y418-L422 PolarHBondContact O-N 2.96Å; L420-L422 VanDerWaalsContact C-N 3.33Å; L420-L422 PolarHBondContact O-N 3.02Å; L422-Y426 WeakPolarHBondContact O-CB 3.46Å; L422-Y426 PolarHBondContact O-N 2.9Å; L422-G427 PolarHBondContact O-N 3.27Å; L422-V428 HydrophobicContact CD1-CB 4.1Å; L422-V428 HydrophobicContact CD2-CB 4.24Å; L422-V428 HydrophobicContact CD2-CG1 4.11Å; L422-V428 HydrophobicContact CG-CB 3.98Å; L422-V428 HydrophobicContact CG-CG1 4.41Å; L422-V430 HydrophobicContact CD2-CG2 3.94Å; L422-L463 HydrophobicContact CD1-CD1 4.07Å; L422-L463 HydrophobicContact CD2-CD1 3.72Å; L422-F466 HydrophobicContact CB-CD1 3.91Å; L422-F466 HydrophobicContact CB-CE1 3.67Å; L422-F466 HydrophobicContact CB-CE2 4.34Å; L422-F466 HydrophobicContact CB-CG 4.32Å; L422-F466 HydrophobicContact CB-CZ 3.91Å; L422-F466 HydrophobicContact CD1-CB 3.88Å; L422-F466 HydrophobicContact CD1-CD1 3.64Å; L422-F466 HydrophobicContact CD1-CD2 4.46Å; L422-F466 HydrophobicContact CD1-CE1 4.31Å; L422-F466 HydrophobicContact CD1-CG 3.71Å; L422-F466 HydrophobicContact CG-CD1 4.27Å; L422-F466 HydrophobicContact CG-CE1 4.47Å |
| 423 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64 | -46.7 | 177.6 | 172.6 | 63.7 | 0 | 0 | 0 | 111.6 | I21 R24 A25 L28 I43 C419 L420 E421 G427 V428 C429 | I21-L423 HydrophobicContact CG2-CD2 3.73Å; I21-L423 WeakPolarHBondContact O-CD2 3.26Å; R24-L423 HydrophobicContact CB-CD2 4.01Å; R24-L423 HydrophobicContact CG-CD2 4.02Å; A25-L423 HydrophobicContact CB-CD1 4.04Å; A25-L423 HydrophobicContact CB-CD2 4.02Å; L28-L423 HydrophobicContact CD1-CD1 4.07Å; L28-L423 HydrophobicContact CD1-CD2 4.28Å; L28-L423 HydrophobicContact CD1-CG 3.74Å; I43-L423 HydrophobicContact CD1-CD1 3.86Å; I43-L423 HydrophobicContact CG2-CD1 4.31Å; C419-L423 WeakPolarHBondContact O-CB 3.3Å; C419-L423 PolarHBondContact O-N 3.05Å; L420-L423 WeakPolarHBondContact O-CB 3.39Å; L420-L423 PolarHBondContact O-N 3.4Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 2.96Å; L423-G427 VanDerWaalsContact O-CA 3.22Å; L423-G427 WeakPolarHBondContact O-CA 3.3Å; L423-G427 PolarHBondContact O-N 3.11Å; L423-V428 WeakPolarHBondContact CA-O 3.27Å; L423-C429 HydrophobicContact CD1-CB 4.02Å |
| 424 | E | 97.2 | Very high | 97.5 | Very high | 76 Ų | 76 | 15 Ų | 15 | 36% | 0.355 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -71.5 | -32.3 | -175.1 | -70 | -168.3 | 138 | 0 | 0 | 113.4 | R24 L28 F40 L420 E421 | R24-E424 IonicContact CZ-OE1 2.8Å; R24-E424 IonicContact NE-OE1 3.2Å; R24-E424 PolarHBondContact NE-OE1 3.35Å; R24-E424 IonicContact NH2-OE1 3.4Å; R24-E424 PolarHBondContact NH2-OE1 2.87Å; L28-E424 HydrophobicContact CD1-CG 4.45Å; F40-E424 WeakPolarHBondContact CE1-O 3.34Å; L420-E424 HydrophobicContact CD1-CG 4.27Å; L420-E424 HydrophobicContact CG-CG 4.49Å; L420-E424 WeakPolarHBondContact O-CG 3.31Å; L420-E424 PolarHBondContact O-N 3.07Å; E421-E424 PolarHBondContact O-N 3.05Å |
| 425 | E | 96.9 | Very high | 97.2 | Very high | 70 Ų | 70 | 15.8 Ų | 15.8 | 33% | 0.327 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -90 | -36.1 | -177.8 | -68 | -175 | -162.6 | 0 | 0 | 113.2 | E421 | E421-E425 WeakPolarHBondContact O-CB 3.46Å; E421-E425 WeakPolarHBondContact O-CG 3.5Å; E421-E425 PolarHBondContact O-N 3.43Å |
| 426 | Y | 97.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -125.5 | -5 | -171.2 | -70.8 | -96.4 | 0 | 0 | 0 | 114.8 | R39 L422 V428 Y462 E465 F466 | R39-Y426 VanDerWaalsContact CZ-CE1 3.47Å; R39-Y426 VanDerWaalsContact CZ-CZ 3.48Å; R39-Y426 VanDerWaalsContact CZ-OH 3.25Å; R39-Y426 VanDerWaalsContact NH1-CZ 3.26Å; R39-Y426 PolarHBondContact NH1-OH 2.96Å; R39-Y426 PolarHBondContact NH2-OH 3.39Å; L422-Y426 WeakPolarHBondContact O-CB 3.46Å; L422-Y426 PolarHBondContact O-N 2.9Å; Y426-V428 PolarHBondContact O-N 3.36Å; Y426-Y462 AromaticContact CD1-CD1 3.92Å; Y426-Y462 HydrophobicContact CD1-CD1 3.92Å; Y426-Y462 HydrophobicContact CD1-CD2 4.18Å; Y426-Y462 AromaticContact CD1-CG 3.65Å; Y426-Y462 HydrophobicContact CD1-CG 3.65Å; Y426-Y462 HydrophobicContact CE1-CD1 4.4Å; Y426-Y462 HydrophobicContact CE1-CG 4.49Å; Y426-Y462 HydrophobicContact CG-CG 4.45Å; Y426-Y462 WeakPolarHBondContact O-CD2 3.49Å; Y426-E465 HydrophobicContact CE1-CB 3.83Å; Y426-E465 VanDerWaalsContact OH-CB 3.26Å; Y426-E465 WeakPolarHBondContact OH-CB 3.48Å; Y426-F466 HydrophobicContact CD2-CB 3.59Å; Y426-F466 AromaticContact CD2-CD2 3.95Å; Y426-F466 HydrophobicContact CD2-CD2 3.95Å; Y426-F466 HydrophobicContact CD2-CG 4.13Å; Y426-F466 VanDerWaalsContact CE2-CA 3.48Å; Y426-F466 HydrophobicContact CE2-CB 3.46Å; Y426-F466 VanDerWaalsContact CE2-CB 3.46Å; Y426-F466 AromaticContact CE2-CD2 3.93Å; Y426-F466 HydrophobicContact CE2-CD2 3.93Å; Y426-F466 HydrophobicContact CE2-CG 4.18Å; Y426-F466 HydrophobicContact CG-CB 4.31Å; Y426-F466 PolarHBondContact OH-N 2.68Å |
| 427 | G | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | 72.7 | 16.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I43 I44 L422 L423 | I43-G427 CarbonylContact C-O 3.59Å; I43-G427 WeakPolarHBondContact CA-O 3.21Å; I44-G427 PolarHBondContact N-O 3.27Å; L422-G427 PolarHBondContact O-N 3.27Å; L423-G427 VanDerWaalsContact O-CA 3.22Å; L423-G427 WeakPolarHBondContact O-CA 3.3Å; L423-G427 PolarHBondContact O-N 3.11Å | ||
| 428 | V | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.6 | 178.4 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | L422 L423 Y426 V430 V459 Y462 | L422-V428 HydrophobicContact CD1-CB 4.1Å; L422-V428 HydrophobicContact CD2-CB 4.24Å; L422-V428 HydrophobicContact CD2-CG1 4.11Å; L422-V428 HydrophobicContact CG-CB 3.98Å; L422-V428 HydrophobicContact CG-CG1 4.41Å; L423-V428 WeakPolarHBondContact CA-O 3.27Å; Y426-V428 PolarHBondContact O-N 3.36Å; V428-V430 HydrophobicContact CG1-CG1 4.18Å; V428-V459 HydrophobicContact CG1-CG1 3.81Å; V428-V459 HydrophobicContact CG2-CG1 4.4Å; V428-V459 HydrophobicContact CG2-CG2 4.32Å; V428-Y462 HydrophobicContact CG2-CD2 4.13Å |
| 429 | C | 97.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 106.9 | -178.4 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | A25 I43 I44 C46 N47 L423 | A25-C429 HydrophobicContact CB-CB 4.5Å; I43-C429 HydrophobicContact CG2-CB 3.9Å; I44-C429 PolarHBondContact O-N 2.91Å; C46-C429 CarbonylContact C-O 3.56Å; C46-C429 VanDerWaalsContact CA-O 3.24Å; C46-C429 WeakPolarHBondContact CA-O 3.34Å; C46-C429 WeakPolarHBondContact CB-O 3.37Å; C46-C429 PolarHBondContact N-O 3.49Å; N47-C429 PolarHBondContact N-O 3.16Å; L423-C429 HydrophobicContact CD1-CB 4.02Å |
| 430 | V | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | trans | -116.2 | 169.5 | 173.5 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | C46 C419 L422 V428 F445 I447 | C46-V430 HydrophobicContact CB-CG1 4.26Å; C419-V430 HydrophobicContact CB-CG2 3.93Å; L422-V430 HydrophobicContact CD2-CG2 3.94Å; V428-V430 HydrophobicContact CG1-CG1 4.18Å; V430-F445 HydrophobicContact CB-CB 4.42Å; V430-F445 HydrophobicContact CB-CD2 3.94Å; V430-F445 HydrophobicContact CB-CG 4.32Å; V430-F445 HydrophobicContact CG1-CD2 4Å; V430-F445 HydrophobicContact CG1-CE2 4.21Å; V430-F445 HydrophobicContact CG2-CB 4.2Å; V430-F445 HydrophobicContact CG2-CD2 4.15Å; V430-F445 HydrophobicContact CG2-CG 4.09Å; V430-I447 HydrophobicContact CG1-CB 4.1Å; V430-I447 HydrophobicContact CG1-CD1 4.3Å; V430-I447 HydrophobicContact CG1-CG1 4.21Å | ||
| 431 | V | 96.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.5 | 178.8 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | N47 F436 F445 R446 | N47-V431 HydrophobicContact CB-CG2 3.68Å; N47-V431 WeakPolarHBondContact O-CG2 3.39Å; V431-F436 HydrophobicContact CB-CE2 3.6Å; V431-F436 HydrophobicContact CB-CZ 3.69Å; V431-F436 HydrophobicContact CG1-CD2 4.38Å; V431-F436 HydrophobicContact CG1-CE2 3.33Å; V431-F436 HydrophobicContact CG1-CZ 3.5Å; V431-F436 VanDerWaalsContact CG1-CZ 3.5Å; V431-F436 HydrophobicContact CG2-CZ 4.37Å; V431-F445 CarbonylContact O-C 3.6Å; V431-F445 WeakPolarHBondContact O-CA 3.31Å; V431-F445 VanDerWaalsContact O-CB 3.32Å; V431-F445 WeakPolarHBondContact O-CB 3.45Å; V431-R446 HydrophobicContact CB-CB 4.49Å; V431-R446 PolarHBondContact N-O 3.11Å; V431-R446 VanDerWaalsContact N-O 3.14Å; V431-R446 PolarHBondContact O-N 3.4Å |
| 432 | P | 97.2 | Very high | 96.8 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 150.9 | -176.2 | 30.1 | -34.1 | 0 | 0 | 0 | 111.3 | I21 D415 F416 C419 S434 G435 F436 | I21-P432 HydrophobicContact CD1-CG 4.03Å; D415-P432 HydrophobicContact CB-CB 4.14Å; F416-P432 HydrophobicContact CB-CB 4.33Å; F416-P432 HydrophobicContact CB-CG 4.33Å; F416-P432 HydrophobicContact CD2-CG 4.03Å; C419-P432 HydrophobicContact CB-CB 4.41Å; P432-S434 PolarHBondContact O-N 3.38Å; P432-G435 PolarHBondContact O-N 2.85Å; P432-F436 WeakPolarHBondContact O-CD2 3.23Å |
| 433 | G | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -59.3 | -33.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D415 G435 F436 G437 H444 | D415-G433 WeakPolarHBondContact OD2-CA 3.3Å; D415-G433 PolarHBondContact OD2-N 3.46Å; G433-G435 PolarHBondContact O-N 2.92Å; G433-F436 PolarHBondContact O-N 2.58Å; G433-G437 PolarHBondContact O-N 3Å; G433-G437 VanDerWaalsContact O-N 3.14Å; G433-H444 WeakPolarHBondContact CA-O 3.47Å; G433-H444 PolarHBondContact N-O 3.44Å |
| 434 | S | 94.8 | Very high | 96.8 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 34% | 0.343 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -54.7 | -23.1 | 172.4 | 49 | 0 | 0 | 0 | 0 | 113.9 | D415 P432 F436 | D415-S434 WeakPolarHBondContact OD1-CB 3.36Å; D415-S434 PolarHBondContact OD1-OG 3.48Å; D415-S434 WeakPolarHBondContact OD2-CB 3.24Å; D415-S434 PolarHBondContact OD2-N 3.46Å; D415-S434 PolarHBondContact OD2-OG 3.26Å; P432-S434 PolarHBondContact O-N 3.38Å; S434-F436 VanDerWaalsContact C-N 3.34Å |
| 435 | G | 92.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 22.9 Ų | 22.9 | 18% | 0.175 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -76.2 | -16.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A16 P169 P432 G433 | A16-G435 WeakPolarHBondContact CB-O 3.33Å; P169-G435 VanDerWaalsContact CG-O 3.27Å; P169-G435 WeakPolarHBondContact CG-O 3.49Å; P432-G435 PolarHBondContact O-N 2.85Å; G433-G435 PolarHBondContact O-N 2.92Å |
| 436 | F | 96.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -9.4 | -178.1 | -54.1 | -87.9 | 0 | 0 | 0 | 112.3 | V17 P166 Q167 P169 P224 F394 V431 P432 G433 S434 R446 | V17-F436 HydrophobicContact CG2-CE1 4.2Å; V17-F436 HydrophobicContact CG2-CZ 4.48Å; P166-F436 HydrophobicContact CB-CB 4Å; Q167-F436 WeakPolarHBondContact CG-O 3.45Å; Q167-F436 PolarHBondContact N-O 2.83Å; Q167-F436 VanDerWaalsContact O-CD1 3.25Å; Q167-F436 WeakPolarHBondContact O-CD1 3.4Å; P169-F436 HydrophobicContact CG-CD1 4Å; P169-F436 HydrophobicContact CG-CE1 4.34Å; P224-F436 HydrophobicContact CB-CD1 3.99Å; P224-F436 HydrophobicContact CB-CE1 4.1Å; P224-F436 HydrophobicContact CB-CG 4.34Å; P224-F436 HydrophobicContact CG-CB 4.12Å; P224-F436 HydrophobicContact CG-CD1 3.91Å; P224-F436 HydrophobicContact CG-CG 3.96Å; F394-F436 HydrophobicContact CE2-CB 4.4Å; F394-F436 AromaticContact CE2-CD2 3.6Å; F394-F436 HydrophobicContact CE2-CD2 3.6Å; F394-F436 HydrophobicContact CE2-CE2 4.09Å; F394-F436 HydrophobicContact CE2-CG 4.12Å; F394-F436 HydrophobicContact CZ-CB 4.16Å; F394-F436 HydrophobicContact CZ-CD2 4.06Å; F394-F436 HydrophobicContact CZ-CG 4.37Å; V431-F436 HydrophobicContact CB-CE2 3.6Å; V431-F436 HydrophobicContact CB-CZ 3.69Å; V431-F436 HydrophobicContact CG1-CD2 4.38Å; V431-F436 HydrophobicContact CG1-CE2 3.33Å; V431-F436 HydrophobicContact CG1-CZ 3.5Å; V431-F436 VanDerWaalsContact CG1-CZ 3.5Å; V431-F436 HydrophobicContact CG2-CZ 4.37Å; P432-F436 WeakPolarHBondContact O-CD2 3.23Å; G433-F436 PolarHBondContact O-N 2.58Å; S434-F436 VanDerWaalsContact C-N 3.34Å; F436-R446 HydrophobicContact CD2-CB 4.47Å; F436-R446 HydrophobicContact CE1-CB 4.45Å; F436-R446 HydrophobicContact CE2-CB 3.57Å; F436-R446 HydrophobicContact CZ-CB 3.56Å; F436-R446 HydrophobicContact CZ-CG 4.23Å |
| 437 | G | 95.5 | Very high | 96.9 | Very high | 23 Ų | 23 | 19.6 Ų | 19.6 | 24% | 0.237 | 14% | 0.139 | C | C | . | . | trans | 74.6 | 151.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I165 P166 G433 | I165-G437 VanDerWaalsContact CG2-C 3.43Å; P166-G437 WeakPolarHBondContact CA-O 3.32Å; P166-G437 WeakPolarHBondContact CB-O 3.49Å; G433-G437 PolarHBondContact O-N 3Å; G433-G437 VanDerWaalsContact O-N 3.14Å | ||
| 438 | Q | 97.3 | Very high | 96.9 | Very high | 24 Ų | 24 | 19.6 Ų | 19.6 | 11% | 0.112 | 14% | 0.139 | C | C | . | . | trans | -158.8 | 164.3 | 177.3 | 63.5 | -154.6 | -12.2 | 0 | 0 | 109.2 | D415 T442 H444 | D415-Q438 PolarHBondContact OD2-NE2 3.03Å; Q438-T442 WeakPolarHBondContact CG-O 3.36Å; Q438-T442 PolarHBondContact NE2-O 3.37Å; Q438-T442 VanDerWaalsContact NE2-O 3.15Å; Q438-H444 VanDerWaalsContact OE1-N 3.16Å; Q438-H444 PolarHBondContact OE1-ND1 3.18Å | ||
| 439 | V | 97.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 19.6 Ų | 19.6 | 37% | 0.37 | 14% | 0.138 | S | C | . | . | trans | -54.6 | 130.9 | 172.5 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | Y186 G441 T442 | Y186-V439 HydrophobicContact CD1-CB 4.39Å; Y186-V439 HydrophobicContact CD1-CG2 3.58Å; Y186-V439 HydrophobicContact CE1-CG2 4.2Å; Y186-V439 HydrophobicContact CG-CG2 4.3Å; V439-G441 PolarHBondContact O-N 2.97Å; V439-T442 HydrophobicContact CB-CG2 4.17Å; V439-T442 HydrophobicContact CG1-CG2 4.42Å; V439-T442 PolarHBondContact O-N 3.38Å; V439-T442 VanDerWaalsContact O-N 3.08Å; V439-T442 PolarHBondContact O-OG1 3.47Å | ||
| 440 | P | 96.2 | Very high | 96.9 | Very high | 107 Ų | 107 | 19.7 Ų | 19.7 | 70% | 0.695 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 129.3 | 179.2 | -28.6 | 35.8 | 0 | 0 | 0 | 112.5 | ||
| 441 | G | 96.4 | Very high | 96.8 | Very high | 62 Ų | 62 | 19.7 Ų | 19.7 | 64% | 0.639 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -5.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | V439 | V439-G441 PolarHBondContact O-N 2.97Š|
| 442 | T | 98 | Very high | 96.7 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | trans | -98.5 | 157 | 168.2 | 67.6 | 0 | 0 | 0 | 0 | 110.7 | Q438 V439 H444 | Q438-T442 WeakPolarHBondContact CG-O 3.36Å; Q438-T442 PolarHBondContact NE2-O 3.37Å; Q438-T442 VanDerWaalsContact NE2-O 3.15Å; V439-T442 HydrophobicContact CB-CG2 4.17Å; V439-T442 HydrophobicContact CG1-CG2 4.42Å; V439-T442 PolarHBondContact O-N 3.38Å; V439-T442 VanDerWaalsContact O-N 3.08Å; V439-T442 PolarHBondContact O-OG1 3.47Å; T442-H444 PolarHBondContact OG1-CE1 2.82Å; T442-H444 VanDerWaalsContact OG1-CE1 3.22Å | ||
| 443 | W | 98.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 22.1 Ų | 22.1 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | trans | -137.3 | 132.1 | -176.6 | -54.9 | 108.7 | 0 | 0 | 0 | 110.1 | R396 I397 L399 P414 D415 | R396-W443 WeakPolarHBondContact CA-O 3.26Å; I397-W443 PolarHBondContact N-O 2.99Å; L399-W443 HydrophobicContact CD1-CB 3.83Å; L399-W443 HydrophobicContact CD1-CD2 4.39Å; L399-W443 HydrophobicContact CD1-CG 3.74Å; L399-W443 HydrophobicContact CG-CB 4.27Å; L399-W443 HydrophobicContact CG-CG 4.35Å; P414-W443 HydrophobicContact CB-CD2 3.86Å; P414-W443 HydrophobicContact CB-CE3 4.02Å; P414-W443 HydrophobicContact CB-CG 4.47Å; P414-W443 HydrophobicContact CB-CH2 4.24Å; P414-W443 HydrophobicContact CB-CZ2 4.07Å; P414-W443 HydrophobicContact CB-CZ3 4.21Å; P414-W443 VanDerWaalsContact CD-CH2 3.41Å; P414-W443 HydrophobicContact CG-CD2 4.24Å; P414-W443 HydrophobicContact CG-CE3 4.29Å; P414-W443 HydrophobicContact CG-CH2 3.61Å; P414-W443 HydrophobicContact CG-CZ2 3.51Å; P414-W443 HydrophobicContact CG-CZ3 3.99Å; D415-W443 HydrophobicContact CB-CB 4.36Å; D415-W443 HydrophobicContact CB-CE3 4.04Å | ||
| 444 | H | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -138.2 | 172.9 | -176.7 | -54.5 | 82.4 | 0 | 0 | 0 | 111.2 | E189 W193 F394 P395 R396 D415 G433 Q438 T442 | E189-H444 IonicContact OE1-NE2 3.13Å; E189-H444 PolarHBondContact OE1-NE2 2.69Å; E189-H444 IonicContact OE2-NE2 3.52Å; W193-H444 AromaticContact CH2-NE2 3.73Å; W193-H444 AromaticContact CZ2-NE2 3.85Å; F394-H444 HydrophobicContact CD1-CB 3.76Å; F394-H444 AromaticContact CD1-CD2 3.69Å; F394-H444 AromaticContact CD1-CG 3.75Å; F394-H444 HydrophobicContact CD2-CB 4.35Å; F394-H444 HydrophobicContact CE1-CB 3.36Å; F394-H444 AromaticContact CE1-CD2 3.82Å; F394-H444 AromaticContact CE1-CG 3.43Å; F394-H444 VanDerWaalsContact CE1-CG 3.43Å; F394-H444 AromaticContact CE1-ND1 3.89Å; F394-H444 HydrophobicContact CE2-CB 4.01Å; F394-H444 HydrophobicContact CG-CB 4.26Å; F394-H444 HydrophobicContact CZ-CB 3.52Å; P395-H444 WeakPolarHBondContact O-CA 3.37Å; P395-H444 VanDerWaalsContact O-CB 3.32Å; P395-H444 WeakPolarHBondContact O-CB 3.44Å; P395-H444 PolarHBondContact O-CD2 2.87Å; R396-H444 VanDerWaalsContact CA-CD2 3.46Å; R396-H444 WeakPolarHBondContact CA-CD2 3.17Å; D415-H444 WeakPolarHBondContact CB-O 3.42Å; G433-H444 WeakPolarHBondContact CA-O 3.47Å; G433-H444 PolarHBondContact N-O 3.44Å; Q438-H444 VanDerWaalsContact OE1-N 3.16Å; Q438-H444 PolarHBondContact OE1-ND1 3.18Å; T442-H444 PolarHBondContact OG1-CE1 2.82Å; T442-H444 VanDerWaalsContact OG1-CE1 3.22Å |
| 445 | F | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 157.7 | 153.8 | 62.3 | -104.6 | 0 | 0 | 0 | 109.5 | L376 F382 F394 P395 I397 Y418 C419 V430 V431 I447 L463 | L376-F445 HydrophobicContact CD2-CZ 4.22Å; F382-F445 AromaticContact CE1-CE1 3.84Å; F382-F445 HydrophobicContact CE1-CE1 3.84Å; F382-F445 AromaticContact CE1-CZ 3.91Å; F382-F445 HydrophobicContact CE1-CZ 3.91Å; F382-F445 AromaticContact CZ-CE1 3.98Å; F382-F445 HydrophobicContact CZ-CE1 3.98Å; F382-F445 HydrophobicContact CZ-CZ 4.4Å; F394-F445 WeakPolarHBondContact CA-O 3.47Å; F394-F445 WeakPolarHBondContact CD2-O 3.44Å; P395-F445 VanDerWaalsContact CD-O 3.25Å; P395-F445 WeakPolarHBondContact CD-O 3.46Å; P395-F445 HydrophobicContact CG-CD2 4.04Å; P395-F445 HydrophobicContact CG-CE1 4.1Å; P395-F445 HydrophobicContact CG-CE2 3.56Å; P395-F445 HydrophobicContact CG-CG 4.47Å; P395-F445 HydrophobicContact CG-CZ 3.59Å; P395-F445 PolarHBondContact O-N 2.97Å; I397-F445 HydrophobicContact CD1-CD1 3.56Å; I397-F445 HydrophobicContact CD1-CE1 3.53Å; I397-F445 HydrophobicContact CG1-CD1 4.49Å; I397-F445 HydrophobicContact CG1-CE1 4.33Å; Y418-F445 HydrophobicContact CD1-CD1 4.29Å; Y418-F445 HydrophobicContact CE1-CD1 4.11Å; Y418-F445 AromaticContact CE1-CE1 3.87Å; Y418-F445 HydrophobicContact CE1-CE1 3.87Å; C419-F445 VanDerWaalsContact SG-CB 3.59Å; V430-F445 HydrophobicContact CB-CB 4.42Å; V430-F445 HydrophobicContact CB-CD2 3.94Å; V430-F445 HydrophobicContact CB-CG 4.32Å; V430-F445 HydrophobicContact CG1-CD2 4Å; V430-F445 HydrophobicContact CG1-CE2 4.21Å; V430-F445 HydrophobicContact CG2-CB 4.2Å; V430-F445 HydrophobicContact CG2-CD2 4.15Å; V430-F445 HydrophobicContact CG2-CG 4.09Å; V431-F445 CarbonylContact O-C 3.6Å; V431-F445 WeakPolarHBondContact O-CA 3.31Å; V431-F445 VanDerWaalsContact O-CB 3.32Å; V431-F445 WeakPolarHBondContact O-CB 3.45Å; F445-I447 HydrophobicContact CD2-CB 4.09Å; F445-I447 HydrophobicContact CD2-CG2 4.36Å; F445-I447 HydrophobicContact CE2-CB 3.8Å; F445-I447 HydrophobicContact CE2-CG2 3.85Å; F445-L463 HydrophobicContact CZ-CD1 4.37Å; F445-L463 HydrophobicContact CZ-CD2 4.01Å |
| 446 | R | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131.3 | 166.9 | -169.3 | -171.9 | 72.9 | -172.8 | -7.1 | 110.4 | N47 N223 P224 Y392 A393 F394 V431 F436 | N47-R446 PolarHBondContact O-NH2 2.85Å; N223-R446 PolarHBondContact OD1-NH1 3.47Å; N223-R446 VanDerWaalsContact OD1-NH1 3.08Å; P224-R446 HydrophobicContact CB-CB 4.04Å; P224-R446 VanDerWaalsContact CB-CD 3.47Å; P224-R446 HydrophobicContact CB-CG 3.68Å; Y392-R446 HydrophobicContact CD1-CG 4Å; Y392-R446 HydrophobicContact CG-CG 4.08Å; A393-R446 WeakPolarHBondContact O-CA 3.44Å; F394-R446 HydrophobicContact CD2-CB 3.83Å; F394-R446 HydrophobicContact CD2-CG 4.44Å; F394-R446 HydrophobicContact CE2-CB 4.08Å; V431-R446 HydrophobicContact CB-CB 4.49Å; V431-R446 PolarHBondContact N-O 3.11Å; V431-R446 VanDerWaalsContact N-O 3.14Å; V431-R446 PolarHBondContact O-N 3.4Å; F436-R446 HydrophobicContact CD2-CB 4.47Å; F436-R446 HydrophobicContact CE1-CB 4.45Å; F436-R446 HydrophobicContact CE2-CB 3.57Å; F436-R446 HydrophobicContact CZ-CB 3.56Å; F436-R446 HydrophobicContact CZ-CG 4.23Å |
| 447 | I | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.7 | 170.6 | -177.4 | 162.9 | 0 | 0 | 0 | 109.9 | C46 T372 L376 Y392 A393 V430 F445 M456 V459 M460 | C46-I447 HydrophobicContact CB-CD1 4.43Å; C46-I447 HydrophobicContact CB-CG1 3.86Å; T372-I447 HydrophobicContact CG2-CG2 4.24Å; L376-I447 HydrophobicContact CD1-CG2 4.25Å; Y392-I447 VanDerWaalsContact CA-O 3.29Å; Y392-I447 WeakPolarHBondContact CA-O 3.37Å; A393-I447 HydrophobicContact CB-CG2 3.68Å; A393-I447 PolarHBondContact N-O 3.43Å; A393-I447 PolarHBondContact O-N 3.29Å; A393-I447 VanDerWaalsContact O-N 3.11Å; V430-I447 HydrophobicContact CG1-CB 4.1Å; V430-I447 HydrophobicContact CG1-CD1 4.3Å; V430-I447 HydrophobicContact CG1-CG1 4.21Å; F445-I447 HydrophobicContact CD2-CB 4.09Å; F445-I447 HydrophobicContact CD2-CG2 4.36Å; F445-I447 HydrophobicContact CE2-CB 3.8Å; F445-I447 HydrophobicContact CE2-CG2 3.85Å; I447-M456 HydrophobicContact CD1-CE 4.49Å; I447-V459 HydrophobicContact CD1-CG1 3.85Å; I447-M460 HydrophobicContact CD1-CE 3.75Å |
| 448 | T | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 150.3 | 172.6 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | C46 I48 M391 Y392 L450 P451 | C46-T448 VanDerWaalsContact O-CG2 3.22Å; C46-T448 WeakPolarHBondContact O-CG2 3.14Å; C46-T448 PolarHBondContact O-N 3.46Å; I48-T448 VanDerWaalsContact O-CG2 3.32Å; I48-T448 WeakPolarHBondContact O-CG2 3.3Å; M391-T448 VanDerWaalsContact O-CA 3.31Å; M391-T448 WeakPolarHBondContact O-CA 3.07Å; Y392-T448 HydrophobicContact CD1-CG2 3.76Å; Y392-T448 HydrophobicContact CE1-CG2 3.54Å; T448-L450 VanDerWaalsContact C-N 3.3Å; T448-P451 WeakPolarHBondContact OG1-CD 3.37Å |
| 449 | I | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -93.6 | 16.3 | 169.2 | 68.4 | 179.5 | 0 | 0 | 0 | 112.9 | Y259 L365 K368 A369 T372 I387 M391 | Y259-I449 HydrophobicContact CE2-CD1 3.9Å; L365-I449 HydrophobicContact CD2-CD1 4.39Å; L365-I449 HydrophobicContact CD2-CG1 4.18Å; K368-I449 HydrophobicContact CB-CB 4.06Å; K368-I449 VanDerWaalsContact CD-O 3.26Å; K368-I449 WeakPolarHBondContact CD-O 3.38Å; K368-I449 WeakPolarHBondContact CE-O 3.3Å; K368-I449 PolarHBondContact NZ-O 2.89Å; A369-I449 HydrophobicContact CB-CD1 3.83Å; T372-I449 HydrophobicContact CG2-CG2 4.34Å; I387-I449 HydrophobicContact CD1-CG2 3.71Å; I387-I449 HydrophobicContact CG2-CD1 4.48Å; M391-I449 HydrophobicContact CB-CG1 4.32Å; M391-I449 PolarHBondContact O-N 3.43Å |
| 450 | L | 96.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | trans | -77.8 | -37.7 | -172.3 | -79.6 | -179.3 | 0 | 0 | 0 | 116.5 | G49 D50 C51 S54 L365 K368 M391 T448 | G49-L450 VanDerWaalsContact CA-CD1 3.48Å; D50-L450 VanDerWaalsContact N-CD1 3.31Å; C51-L450 HydrophobicContact CB-CD2 4.4Å; S54-L450 WeakPolarHBondContact OG-CB 3.36Å; L365-L450 HydrophobicContact CD2-CD2 4.09Å; K368-L450 PolarHBondContact NZ-O 2.87Å; M391-L450 HydrophobicContact CE-CD1 4.28Å; M391-L450 HydrophobicContact CE-CD2 4.41Å; M391-L450 HydrophobicContact SD-CD1 4.34Å; M391-L450 HydrophobicContact SD-CD2 3.48Å; M391-L450 WeakPolarHBondContact SD-CD2 3.49Å; M391-L450 HydrophobicContact SD-CG 4.08Å; T448-L450 VanDerWaalsContact C-N 3.3Å | ||
| 451 | P | 95.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.013 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -50.5 | 162.4 | 176.3 | -27.3 | 33.9 | 0 | 0 | 0 | 112.5 | I44 K368 T448 E455 M456 | I44-P451 HydrophobicContact CG2-CG 4.34Å; K368-P451 WeakPolarHBondContact CD-O 3.33Å; K368-P451 WeakPolarHBondContact CE-O 3.31Å; K368-P451 PolarHBondContact NZ-O 3.33Å; T448-P451 WeakPolarHBondContact OG1-CD 3.37Å; P451-E455 HydrophobicContact CB-CB 3.72Å; P451-M456 HydrophobicContact CB-CG 4.09Å; P451-M456 HydrophobicContact CB-SD 3.83Å; P451-M456 HydrophobicContact CG-SD 3.75Å |
| 452 | S | 94.5 | Very high | 97.2 | Very high | 34 Ų | 34 | 29.5 Ų | 29.5 | 24% | 0.238 | 14% | 0.144 | C | C | . | . | trans | -59.3 | 161.5 | 178.5 | 92.7 | 0 | 0 | 0 | 0 | 111.3 | E454 E455 M456 | S452-E454 WeakPolarHBondContact CB-OE2 3.22Å; S452-E454 PolarHBondContact O-N 2.79Å; S452-E454 PolarHBondContact OG-N 3.33Å; S452-E454 PolarHBondContact OG-OE2 2.86Å; S452-E455 PolarHBondContact N-OE2 2.87Å; S452-E455 PolarHBondContact O-N 3.32Å; S452-E455 VanDerWaalsContact O-N 3.14Å; S452-E455 PolarHBondContact OG-N 3.29Å; S452-M456 WeakPolarHBondContact O-CB 3.32Å; S452-M456 WeakPolarHBondContact O-CG 3.2Å; S452-M456 PolarHBondContact O-N 3.46Å | ||
| 453 | I | 95.4 | Very high | 97.2 | Very high | 32 Ų | 32 | 29.1 Ų | 29.1 | 16% | 0.164 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.1 | -39 | 176.9 | -70.5 | 173.4 | 0 | 0 | 0 | 111 | E364 Q367 K368 M456 K457 | E364-I453 HydrophobicContact CG-CD1 3.81Å; E364-I453 HydrophobicContact CG-CG1 4.05Å; Q367-I453 HydrophobicContact CB-CD1 4.37Å; K368-I453 HydrophobicContact CD-CG1 3.97Å; K368-I453 HydrophobicContact CG-CG1 3.59Å; I453-M456 PolarHBondContact O-N 2.9Å; I453-K457 HydrophobicContact CG2-CD 4.4Å; I453-K457 WeakPolarHBondContact O-CG 3.49Å; I453-K457 PolarHBondContact O-N 3.49Å |
| 454 | E | 95.8 | Very high | 97.2 | Very high | 127 Ų | 127 | 33.2 Ų | 33.2 | 59% | 0.593 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -66.3 | -44.8 | 177.5 | -59.9 | 69.4 | -151.4 | 0 | 0 | 111.6 | S452 M456 K457 L458 | S452-E454 WeakPolarHBondContact CB-OE2 3.22Å; S452-E454 PolarHBondContact O-N 2.79Å; S452-E454 PolarHBondContact OG-N 3.33Å; S452-E454 PolarHBondContact OG-OE2 2.86Å; E454-M456 VanDerWaalsContact C-N 3.33Å; E454-K457 PolarHBondContact O-N 2.88Å; E454-L458 PolarHBondContact O-N 3.47Å |
| 455 | E | 95.9 | Very high | 97.2 | Very high | 46 Ų | 46 | 37.2 Ų | 37.2 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 175 | -69 | -174 | 134.6 | 0 | 0 | 111.4 | K42 P451 S452 L458 V459 | K42-E455 WeakPolarHBondContact CE-OE1 3.32Å; K42-E455 IonicContact NZ-OE1 2.82Å; K42-E455 PolarHBondContact NZ-OE1 2.7Å; P451-E455 HydrophobicContact CB-CB 3.72Å; S452-E455 PolarHBondContact N-OE2 2.87Å; S452-E455 PolarHBondContact O-N 3.32Å; S452-E455 VanDerWaalsContact O-N 3.14Å; S452-E455 PolarHBondContact OG-N 3.29Å; E455-L458 WeakPolarHBondContact O-CB 3.42Å; E455-L458 PolarHBondContact O-N 2.69Å; E455-V459 WeakPolarHBondContact O-CB 3.46Å; E455-V459 VanDerWaalsContact O-CG2 3.24Å; E455-V459 WeakPolarHBondContact O-CG2 3.38Å; E455-V459 PolarHBondContact O-N 3.38Å |
| 456 | M | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 176.1 | -72.8 | -54.2 | -63.9 | 0 | 0 | 111.7 | K368 L371 T372 I447 P451 S452 I453 E454 L458 V459 M460 | K368-M456 HydrophobicContact CD-CG 4.1Å; K368-M456 HydrophobicContact CG-CG 4.4Å; L371-M456 HydrophobicContact CD2-CB 4.03Å; T372-M456 HydrophobicContact CG2-CE 4.38Å; T372-M456 WeakPolarHBondContact OG1-CE 3.33Å; I447-M456 HydrophobicContact CD1-CE 4.49Å; P451-M456 HydrophobicContact CB-CG 4.09Å; P451-M456 HydrophobicContact CB-SD 3.83Å; P451-M456 HydrophobicContact CG-SD 3.75Å; S452-M456 WeakPolarHBondContact O-CB 3.32Å; S452-M456 WeakPolarHBondContact O-CG 3.2Å; S452-M456 PolarHBondContact O-N 3.46Å; I453-M456 PolarHBondContact O-N 2.9Å; E454-M456 VanDerWaalsContact C-N 3.33Å; M456-L458 VanDerWaalsContact C-N 3.34Å; M456-L458 PolarHBondContact O-N 2.96Å; M456-V459 PolarHBondContact O-N 3Å; M456-M460 HydrophobicContact CE-CE 3.62Å; M456-M460 VanDerWaalsContact O-CG 3.25Å; M456-M460 WeakPolarHBondContact O-CG 3.18Å; M456-M460 PolarHBondContact O-N 2.93Å |
| 457 | K | 97.8 | Very high | 97.2 | Very high | 110 Ų | 110 | 37.3 Ų | 37.3 | 48% | 0.478 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.1 | -47.7 | 172.2 | -73.2 | 170.2 | -177.7 | 170.7 | 0 | 111.1 | L371 I453 E454 V459 M460 D461 | L371-K457 HydrophobicContact CD2-CG 3.88Å; I453-K457 HydrophobicContact CG2-CD 4.4Å; I453-K457 WeakPolarHBondContact O-CG 3.49Å; I453-K457 PolarHBondContact O-N 3.49Å; E454-K457 PolarHBondContact O-N 2.88Å; K457-V459 PolarHBondContact O-N 3.46Å; K457-M460 PolarHBondContact O-N 2.92Å; K457-D461 PolarHBondContact O-N 3.35Å |
| 458 | L | 97.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 34% | 0.335 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.4 | -176.1 | 63 | 0 | 0 | 0 | 112.4 | I44 E454 E455 M456 M460 D461 Y462 | I44-L458 HydrophobicContact CD1-CD2 4.01Å; I44-L458 HydrophobicContact CD1-CG 4.42Å; E454-L458 PolarHBondContact O-N 3.47Å; E455-L458 WeakPolarHBondContact O-CB 3.42Å; E455-L458 PolarHBondContact O-N 2.69Å; M456-L458 VanDerWaalsContact C-N 3.34Å; M456-L458 PolarHBondContact O-N 2.96Å; L458-M460 VanDerWaalsContact C-N 3.32Å; L458-M460 PolarHBondContact O-N 3.44Å; L458-D461 PolarHBondContact O-N 3.06Å; L458-Y462 HydrophobicContact CD1-CD1 3.99Å; L458-Y462 HydrophobicContact CD1-CE1 3.47Å; L458-Y462 VanDerWaalsContact CD1-CE1 3.47Å; L458-Y462 HydrophobicContact CD1-CE2 4.14Å; L458-Y462 HydrophobicContact CD2-CE2 4.19Å; L458-Y462 HydrophobicContact CG-CD1 4.48Å; L458-Y462 HydrophobicContact CG-CD2 4.29Å; L458-Y462 HydrophobicContact CG-CE1 4.17Å; L458-Y462 HydrophobicContact CG-CE2 3.95Å; L458-Y462 WeakPolarHBondContact O-CB 3.26Å; L458-Y462 PolarHBondContact O-N 3.13Å |
| 459 | V | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 176.1 | 169 | 0 | 0 | 0 | 0 | 110.8 | I44 V428 I447 E455 M456 K457 Y462 L463 | I44-V459 HydrophobicContact CB-CG2 4.12Å; I44-V459 HydrophobicContact CD1-CG2 3.79Å; I44-V459 HydrophobicContact CG2-CG2 3.62Å; V428-V459 HydrophobicContact CG1-CG1 3.81Å; V428-V459 HydrophobicContact CG2-CG1 4.4Å; V428-V459 HydrophobicContact CG2-CG2 4.32Å; I447-V459 HydrophobicContact CD1-CG1 3.85Å; E455-V459 WeakPolarHBondContact O-CB 3.46Å; E455-V459 VanDerWaalsContact O-CG2 3.24Å; E455-V459 WeakPolarHBondContact O-CG2 3.38Å; E455-V459 PolarHBondContact O-N 3.38Å; M456-V459 PolarHBondContact O-N 3Å; K457-V459 PolarHBondContact O-N 3.46Å; V459-Y462 PolarHBondContact O-N 3.29Å; V459-L463 VanDerWaalsContact O-CB 3.23Å; V459-L463 WeakPolarHBondContact O-CB 3.22Å; V459-L463 PolarHBondContact O-N 3.48Å |
| 460 | M | 98.2 | Very high | 97.3 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 5% | 0.054 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 177.2 | -65.9 | -55.7 | 127.2 | 0 | 0 | 112 | T372 S375 L376 I447 M456 K457 L458 L463 K464 | T372-M460 HydrophobicContact CG2-CE 3.99Å; S375-M460 VanDerWaalsContact CB-CG 3.48Å; S375-M460 VanDerWaalsContact CB-SD 3.51Å; L376-M460 HydrophobicContact CD2-SD 4.38Å; L376-M460 HydrophobicContact CG-SD 4.32Å; I447-M460 HydrophobicContact CD1-CE 3.75Å; M456-M460 HydrophobicContact CE-CE 3.62Å; M456-M460 VanDerWaalsContact O-CG 3.25Å; M456-M460 WeakPolarHBondContact O-CG 3.18Å; M456-M460 PolarHBondContact O-N 2.93Å; K457-M460 PolarHBondContact O-N 2.92Å; L458-M460 VanDerWaalsContact C-N 3.32Å; L458-M460 PolarHBondContact O-N 3.44Å; M460-L463 PolarHBondContact O-N 3.26Å; M460-K464 WeakPolarHBondContact O-CB 3.14Å; M460-K464 PolarHBondContact O-N 3.36Å |
| 461 | D | 97.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.9 | -46.8 | 175.9 | -70.1 | -24.7 | 0 | 0 | 0 | 111.4 | K457 L458 L463 K464 E465 | K457-D461 PolarHBondContact O-N 3.35Å; L458-D461 PolarHBondContact O-N 3.06Å; D461-L463 PolarHBondContact O-N 2.93Å; D461-K464 WeakPolarHBondContact O-CB 3.21Å; D461-K464 PolarHBondContact O-N 2.89Å; D461-E465 WeakPolarHBondContact O-CG 3.34Å; D461-E465 PolarHBondContact O-N 3.35Å |
| 462 | Y | 98 | Very high | 97.4 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 175.6 | -77.1 | 1.6 | 0 | 0 | 0 | 112.3 | Y426 V428 L458 V459 K464 E465 F466 | Y426-Y462 AromaticContact CD1-CD1 3.92Å; Y426-Y462 HydrophobicContact CD1-CD1 3.92Å; Y426-Y462 HydrophobicContact CD1-CD2 4.18Å; Y426-Y462 AromaticContact CD1-CG 3.65Å; Y426-Y462 HydrophobicContact CD1-CG 3.65Å; Y426-Y462 HydrophobicContact CE1-CD1 4.4Å; Y426-Y462 HydrophobicContact CE1-CG 4.49Å; Y426-Y462 HydrophobicContact CG-CG 4.45Å; Y426-Y462 WeakPolarHBondContact O-CD2 3.49Å; V428-Y462 HydrophobicContact CG2-CD2 4.13Å; L458-Y462 HydrophobicContact CD1-CD1 3.99Å; L458-Y462 HydrophobicContact CD1-CE1 3.47Å; L458-Y462 VanDerWaalsContact CD1-CE1 3.47Å; L458-Y462 HydrophobicContact CD1-CE2 4.14Å; L458-Y462 HydrophobicContact CD2-CE2 4.19Å; L458-Y462 HydrophobicContact CG-CD1 4.48Å; L458-Y462 HydrophobicContact CG-CD2 4.29Å; L458-Y462 HydrophobicContact CG-CE1 4.17Å; L458-Y462 HydrophobicContact CG-CE2 3.95Å; L458-Y462 WeakPolarHBondContact O-CB 3.26Å; L458-Y462 PolarHBondContact O-N 3.13Å; V459-Y462 PolarHBondContact O-N 3.29Å; Y462-K464 VanDerWaalsContact C-N 3.32Å; Y462-K464 PolarHBondContact O-N 3.36Å; Y462-E465 PolarHBondContact O-N 3.43Å; Y462-F466 VanDerWaalsContact O-CB 3.22Å; Y462-F466 WeakPolarHBondContact O-CB 3.21Å; Y462-F466 PolarHBondContact O-N 2.94Å |
| 463 | L | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 176.7 | -175.8 | 66.8 | 0 | 0 | 0 | 111.3 | L376 L379 F382 Y418 L422 F445 V459 M460 D461 F466 H467 | L376-L463 HydrophobicContact CD2-CD2 3.39Å; L379-L463 HydrophobicContact CD1-CD2 3.94Å; L379-L463 HydrophobicContact CD1-CG 3.97Å; F382-L463 HydrophobicContact CE1-CD2 4.26Å; Y418-L463 HydrophobicContact CE1-CD1 4.38Å; L422-L463 HydrophobicContact CD1-CD1 4.07Å; L422-L463 HydrophobicContact CD2-CD1 3.72Å; F445-L463 HydrophobicContact CZ-CD1 4.37Å; F445-L463 HydrophobicContact CZ-CD2 4.01Å; V459-L463 VanDerWaalsContact O-CB 3.23Å; V459-L463 WeakPolarHBondContact O-CB 3.22Å; V459-L463 PolarHBondContact O-N 3.48Å; M460-L463 PolarHBondContact O-N 3.26Å; D461-L463 PolarHBondContact O-N 2.93Å; L463-F466 HydrophobicContact CD1-CD1 4.43Å; L463-H467 WeakPolarHBondContact O-CB 3.48Å; L463-H467 PolarHBondContact O-N 3.36Å |
| 464 | K | 98.3 | Very high | 97.6 | Very high | 117 Ų | 117 | 51.5 Ų | 51.5 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 177 | -179.2 | 175.9 | 177.9 | -179.8 | 0 | 112 | L379 M460 D461 Y462 T468 | L379-K464 HydrophobicContact CD2-CB 3.7Å; L379-K464 HydrophobicContact CD2-CD 4.34Å; L379-K464 HydrophobicContact CD2-CG 3.68Å; M460-K464 WeakPolarHBondContact O-CB 3.14Å; M460-K464 PolarHBondContact O-N 3.36Å; D461-K464 WeakPolarHBondContact O-CB 3.21Å; D461-K464 PolarHBondContact O-N 2.89Å; Y462-K464 VanDerWaalsContact C-N 3.32Å; Y462-K464 PolarHBondContact O-N 3.36Å; K464-T468 WeakPolarHBondContact O-CB 3.27Å; K464-T468 PolarHBondContact O-N 3.22Å; K464-T468 PolarHBondContact O-OG1 3.48Å |
| 465 | E | 98.1 | Very high | 97.3 | Very high | 87 Ų | 87 | 51.4 Ų | 51.4 | 41% | 0.407 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 177.8 | -69.1 | -177.5 | -172.9 | 0 | 0 | 111.1 | R39 Y426 D461 Y462 H467 T468 S469 | R39-E465 IonicContact CZ-OE2 3.78Å; R39-E465 IonicContact NH2-OE2 3.21Å; R39-E465 PolarHBondContact NH2-OE2 3.49Å; Y426-E465 HydrophobicContact CE1-CB 3.83Å; Y426-E465 VanDerWaalsContact OH-CB 3.26Å; Y426-E465 WeakPolarHBondContact OH-CB 3.48Å; D461-E465 WeakPolarHBondContact O-CG 3.34Å; D461-E465 PolarHBondContact O-N 3.35Å; Y462-E465 PolarHBondContact O-N 3.43Å; E465-H467 VanDerWaalsContact C-N 3.35Å; E465-H467 PolarHBondContact O-N 3.47Å; E465-T468 PolarHBondContact O-N 2.91Å; E465-S469 PolarHBondContact O-N 3.49Å; E465-S469 PolarHBondContact O-OG 2.86Å |
| 466 | F | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.4 | -53.1 | 176.3 | 169.9 | -109.6 | 0 | 0 | 0 | 111.1 | Y418 E421 L422 Y426 Y462 L463 T468 S469 F470 | Y418-F466 HydrophobicContact CD1-CE1 4.1Å; Y418-F466 AromaticContact CD2-CE1 3.94Å; Y418-F466 HydrophobicContact CD2-CE1 3.94Å; Y418-F466 HydrophobicContact CD2-CZ 4.38Å; Y418-F466 HydrophobicContact CE1-CD1 4.33Å; Y418-F466 AromaticContact CE1-CE1 3.71Å; Y418-F466 HydrophobicContact CE1-CE1 3.71Å; Y418-F466 HydrophobicContact CE2-CD1 4.33Å; Y418-F466 AromaticContact CE2-CE1 3.56Å; Y418-F466 HydrophobicContact CE2-CE1 3.56Å; Y418-F466 HydrophobicContact CE2-CZ 4.36Å; Y418-F466 HydrophobicContact CG-CE1 4.2Å; Y418-F466 AromaticContact CZ-CD1 3.93Å; Y418-F466 AromaticContact CZ-CE1 3.43Å; Y418-F466 VanDerWaalsContact CZ-CE1 3.43Å; Y418-F466 WeakPolarHBondContact O-CZ 3.34Å; E421-F466 HydrophobicContact CB-CE2 3.72Å; E421-F466 HydrophobicContact CB-CZ 3.8Å; L422-F466 HydrophobicContact CB-CD1 3.91Å; L422-F466 HydrophobicContact CB-CE1 3.67Å; L422-F466 HydrophobicContact CB-CE2 4.34Å; L422-F466 HydrophobicContact CB-CG 4.32Å; L422-F466 HydrophobicContact CB-CZ 3.91Å; L422-F466 HydrophobicContact CD1-CB 3.88Å; L422-F466 HydrophobicContact CD1-CD1 3.64Å; L422-F466 HydrophobicContact CD1-CD2 4.46Å; L422-F466 HydrophobicContact CD1-CE1 4.31Å; L422-F466 HydrophobicContact CD1-CG 3.71Å; L422-F466 HydrophobicContact CG-CD1 4.27Å; L422-F466 HydrophobicContact CG-CE1 4.47Å; Y426-F466 HydrophobicContact CD2-CB 3.59Å; Y426-F466 AromaticContact CD2-CD2 3.95Å; Y426-F466 HydrophobicContact CD2-CD2 3.95Å; Y426-F466 HydrophobicContact CD2-CG 4.13Å; Y426-F466 VanDerWaalsContact CE2-CA 3.48Å; Y426-F466 HydrophobicContact CE2-CB 3.46Å; Y426-F466 VanDerWaalsContact CE2-CB 3.46Å; Y426-F466 AromaticContact CE2-CD2 3.93Å; Y426-F466 HydrophobicContact CE2-CD2 3.93Å; Y426-F466 HydrophobicContact CE2-CG 4.18Å; Y426-F466 HydrophobicContact CG-CB 4.31Å; Y426-F466 PolarHBondContact OH-N 2.68Å; Y462-F466 VanDerWaalsContact O-CB 3.22Å; Y462-F466 WeakPolarHBondContact O-CB 3.21Å; Y462-F466 PolarHBondContact O-N 2.94Å; L463-F466 HydrophobicContact CD1-CD1 4.43Å; F466-T468 VanDerWaalsContact C-N 3.3Å; F466-T468 PolarHBondContact O-N 3.06Å; F466-S469 PolarHBondContact O-N 2.94Å; F466-S469 VanDerWaalsContact O-N 3.16Å; F466-F470 HydrophobicContact CE1-CB 4.42Å; F466-F470 HydrophobicContact CE1-CD2 4.31Å; F466-F470 HydrophobicContact CE2-CB 4.42Å; F466-F470 HydrophobicContact CE2-CD2 4.14Å; F466-F470 HydrophobicContact CZ-CB 4.22Å; F466-F470 AromaticContact CZ-CD2 3.62Å; F466-F470 HydrophobicContact CZ-CD2 3.62Å; F466-F470 HydrophobicContact CZ-CE2 4.36Å; F466-F470 HydrophobicContact CZ-CG 4.2Å; F466-F470 WeakPolarHBondContact O-CB 3.49Å; F466-F470 PolarHBondContact O-N 2.86Å |
| 467 | H | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | -174.8 | -173.7 | 55.4 | 0 | 0 | 0 | 111.8 | Q380 F382 Y418 L463 E465 F470 L471 | Q380-H467 PolarHBondContact O-NE2 2.72Å; F382-H467 AromaticContact CD2-NE2 3.69Å; F382-H467 AromaticContact CE2-CD2 3.76Å; F382-H467 AromaticContact CE2-CE1 3.48Å; F382-H467 VanDerWaalsContact CE2-CE1 3.48Å; F382-H467 WeakPolarHBondContact CE2-CE1 3.44Å; F382-H467 AromaticContact CE2-CG 3.79Å; F382-H467 AromaticContact CE2-ND1 3.62Å; F382-H467 AromaticContact CE2-NE2 3.54Å; Y418-H467 AromaticContact CE2-ND1 3.59Å; Y418-H467 AromaticContact CZ-ND1 3.79Å; Y418-H467 PolarHBondContact OH-ND1 3.24Å; Y418-H467 VanDerWaalsContact OH-ND1 3.09Å; L463-H467 WeakPolarHBondContact O-CB 3.48Å; L463-H467 PolarHBondContact O-N 3.36Å; E465-H467 VanDerWaalsContact C-N 3.35Å; E465-H467 PolarHBondContact O-N 3.47Å; H467-F470 PolarHBondContact O-N 2.82Å; H467-L471 WeakPolarHBondContact NE2-CD1 3.45Å; H467-L471 WeakPolarHBondContact O-CB 3.39Å; H467-L471 WeakPolarHBondContact O-CG 3.41Å; H467-L471 PolarHBondContact O-N 2.82Å |
| 468 | T | 97.9 | Very high | 97.4 | Very high | 87 Ų | 87 | 51.3 Ų | 51.3 | 53% | 0.534 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | K464 E465 F466 A472 | K464-T468 WeakPolarHBondContact O-CB 3.27Å; K464-T468 PolarHBondContact O-N 3.22Å; K464-T468 PolarHBondContact O-OG1 3.48Å; E465-T468 PolarHBondContact O-N 2.91Å; F466-T468 VanDerWaalsContact C-N 3.3Å; F466-T468 PolarHBondContact O-N 3.06Å; T468-A472 PolarHBondContact O-N 2.88Å |
| 469 | S | 97.6 | Very high | 97.4 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.4 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | E465 F466 A472 K473 | E465-S469 PolarHBondContact O-N 3.49Å; E465-S469 PolarHBondContact O-OG 2.86Å; F466-S469 PolarHBondContact O-N 2.94Å; F466-S469 VanDerWaalsContact O-N 3.16Å; S469-A472 PolarHBondContact O-N 3.35Å; S469-K473 WeakPolarHBondContact O-CB 3.24Å; S469-K473 PolarHBondContact O-N 2.96Å |
| 470 | F | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 176.6 | -173.3 | -85.5 | 0 | 0 | 0 | 110.8 | L399 A403 M417 Y418 F466 H467 A472 K473 Y474 | L399-F470 HydrophobicContact CD2-CE1 3.93Å; L399-F470 HydrophobicContact CD2-CZ 4.36Å; A403-F470 HydrophobicContact CB-CE1 3.87Å; A403-F470 HydrophobicContact CB-CZ 3.84Å; M417-F470 HydrophobicContact CE-CE2 4.16Å; M417-F470 HydrophobicContact CE-CZ 3.86Å; Y418-F470 AromaticContact CD2-CD1 3.96Å; Y418-F470 HydrophobicContact CD2-CD1 3.96Å; Y418-F470 HydrophobicContact CD2-CD2 4.14Å; Y418-F470 AromaticContact CD2-CE1 3.8Å; Y418-F470 HydrophobicContact CD2-CE1 3.8Å; Y418-F470 AromaticContact CD2-CE2 3.96Å; Y418-F470 HydrophobicContact CD2-CE2 3.96Å; Y418-F470 HydrophobicContact CD2-CG 4.14Å; Y418-F470 AromaticContact CD2-CZ 3.79Å; Y418-F470 HydrophobicContact CD2-CZ 3.79Å; Y418-F470 HydrophobicContact CE2-CD1 4.01Å; Y418-F470 HydrophobicContact CE2-CD2 4.5Å; Y418-F470 HydrophobicContact CE2-CE1 4.29Å; Y418-F470 HydrophobicContact CE2-CG 4.14Å; F466-F470 HydrophobicContact CE1-CB 4.42Å; F466-F470 HydrophobicContact CE1-CD2 4.31Å; F466-F470 HydrophobicContact CE2-CB 4.42Å; F466-F470 HydrophobicContact CE2-CD2 4.14Å; F466-F470 HydrophobicContact CZ-CB 4.22Å; F466-F470 AromaticContact CZ-CD2 3.62Å; F466-F470 HydrophobicContact CZ-CD2 3.62Å; F466-F470 HydrophobicContact CZ-CE2 4.36Å; F466-F470 HydrophobicContact CZ-CG 4.2Å; F466-F470 WeakPolarHBondContact O-CB 3.49Å; F466-F470 PolarHBondContact O-N 2.86Å; H467-F470 PolarHBondContact O-N 2.82Å; F470-A472 PolarHBondContact O-N 2.72Å; F470-K473 PolarHBondContact O-N 2.75Å; F470-Y474 AromaticContact CD1-CD2 3.83Å; F470-Y474 HydrophobicContact CD1-CD2 3.83Å; F470-Y474 AromaticContact CD2-CD2 3.67Å; F470-Y474 HydrophobicContact CD2-CD2 3.67Å; F470-Y474 AromaticContact CD2-CE2 3.54Å; F470-Y474 HydrophobicContact CD2-CE2 3.54Å; F470-Y474 AromaticContact CE1-CD2 3.68Å; F470-Y474 HydrophobicContact CE1-CD2 3.68Å; F470-Y474 HydrophobicContact CE1-CE2 4.32Å; F470-Y474 HydrophobicContact CE1-CG 4.45Å; F470-Y474 AromaticContact CE2-CD2 3.53Å; F470-Y474 HydrophobicContact CE2-CD2 3.53Å; F470-Y474 AromaticContact CE2-CE2 3.29Å; F470-Y474 HydrophobicContact CE2-CE2 3.29Å; F470-Y474 AromaticContact CG-CD2 3.82Å; F470-Y474 HydrophobicContact CG-CD2 3.82Å; F470-Y474 HydrophobicContact CG-CE2 4.17Å; F470-Y474 AromaticContact CZ-CD2 3.53Å; F470-Y474 HydrophobicContact CZ-CD2 3.53Å; F470-Y474 AromaticContact CZ-CE2 3.72Å; F470-Y474 HydrophobicContact CZ-CE2 3.72Å; F470-Y474 HydrophobicContact CZ-CG 4.43Å; F470-Y474 VanDerWaalsContact O-CD2 3.25Å; F470-Y474 WeakPolarHBondContact O-CD2 3.34Å; F470-Y474 PolarHBondContact O-N 3.26Å |
| 471 | L | 97.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 56.5 Ų | 56.5 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.5 | -71.6 | -179.3 | 0 | 0 | 0 | 111.6 | Q380 P400 H467 K473 Y474 S475 | Q380-L471 HydrophobicContact CB-CD1 4.18Å; Q380-L471 HydrophobicContact CG-CD1 4.25Å; P400-L471 HydrophobicContact CG-CD2 3.72Å; H467-L471 WeakPolarHBondContact NE2-CD1 3.45Å; H467-L471 WeakPolarHBondContact O-CB 3.39Å; H467-L471 WeakPolarHBondContact O-CG 3.41Å; H467-L471 PolarHBondContact O-N 2.82Å; L471-K473 VanDerWaalsContact C-N 3.27Å; L471-K473 PolarHBondContact O-N 2.84Å; L471-Y474 PolarHBondContact O-N 3.48Å; L471-S475 WeakPolarHBondContact O-CA 3.31Å; L471-S475 WeakPolarHBondContact O-CB 3.41Å; L471-S475 PolarHBondContact O-N 3.42Å; L471-S475 PolarHBondContact O-OG 3.03Å |
| 472 | A | 97.3 | Very high | 97.2 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 72% | 0.719 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.7 | -34 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T468 S469 F470 | T468-A472 PolarHBondContact O-N 2.88Å; S469-A472 PolarHBondContact O-N 3.35Å; F470-A472 PolarHBondContact O-N 2.72Å |
| 473 | K | 96.5 | Very high | 97.2 | Very high | 99 Ų | 99 | 54.4 Ų | 54.4 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -74.8 | -36.4 | 179.2 | -178 | 178.6 | 174.4 | -168.4 | 0 | 112.7 | K402 E421 S469 F470 L471 | K402-K473 PolarHBondContact NZ-O 2.85Å; E421-K473 IonicContact OE1-NZ 3.9Å; E421-K473 IonicContact OE2-NZ 2.73Å; E421-K473 PolarHBondContact OE2-NZ 3.37Å; S469-K473 WeakPolarHBondContact O-CB 3.24Å; S469-K473 PolarHBondContact O-N 2.96Å; F470-K473 PolarHBondContact O-N 2.75Å; L471-K473 VanDerWaalsContact C-N 3.27Å; L471-K473 PolarHBondContact O-N 2.84Å |
| 474 | Y | 96.7 | Very high | 97.1 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -117.7 | -6.1 | -167.5 | -62.5 | -64.3 | 0 | 0 | 0 | 116 | P400 K402 A403 I406 M417 E421 F470 L471 | P400-Y474 WeakPolarHBondContact CB-O 3.3Å; K402-Y474 WeakPolarHBondContact CB-O 3.09Å; A403-Y474 HydrophobicContact CB-CD1 4.35Å; A403-Y474 HydrophobicContact CB-CD2 4.33Å; A403-Y474 HydrophobicContact CB-CG 3.94Å; I406-Y474 HydrophobicContact CD1-CD1 3.8Å; I406-Y474 HydrophobicContact CD1-CE1 3.62Å; M417-Y474 HydrophobicContact CE-CE2 4.49Å; E421-Y474 PolarHBondContact OE1-OH 2.94Å; E421-Y474 PolarHBondContact OE2-OH 3.15Å; F470-Y474 AromaticContact CD1-CD2 3.83Å; F470-Y474 HydrophobicContact CD1-CD2 3.83Å; F470-Y474 AromaticContact CD2-CD2 3.67Å; F470-Y474 HydrophobicContact CD2-CD2 3.67Å; F470-Y474 AromaticContact CD2-CE2 3.54Å; F470-Y474 HydrophobicContact CD2-CE2 3.54Å; F470-Y474 AromaticContact CE1-CD2 3.68Å; F470-Y474 HydrophobicContact CE1-CD2 3.68Å; F470-Y474 HydrophobicContact CE1-CE2 4.32Å; F470-Y474 HydrophobicContact CE1-CG 4.45Å; F470-Y474 AromaticContact CE2-CD2 3.53Å; F470-Y474 HydrophobicContact CE2-CD2 3.53Å; F470-Y474 AromaticContact CE2-CE2 3.29Å; F470-Y474 HydrophobicContact CE2-CE2 3.29Å; F470-Y474 AromaticContact CG-CD2 3.82Å; F470-Y474 HydrophobicContact CG-CD2 3.82Å; F470-Y474 HydrophobicContact CG-CE2 4.17Å; F470-Y474 AromaticContact CZ-CD2 3.53Å; F470-Y474 HydrophobicContact CZ-CD2 3.53Å; F470-Y474 AromaticContact CZ-CE2 3.72Å; F470-Y474 HydrophobicContact CZ-CE2 3.72Å; F470-Y474 HydrophobicContact CZ-CG 4.43Å; F470-Y474 VanDerWaalsContact O-CD2 3.25Å; F470-Y474 WeakPolarHBondContact O-CD2 3.34Å; F470-Y474 PolarHBondContact O-N 3.26Å; L471-Y474 PolarHBondContact O-N 3.48Å |
| 475 | S | 90 | Very high | 97 | Very high | 124 Ų | 124 | 53.4 Ų | 53.4 | 87% | 0.867 | 33% | 0.326 | S | S | * | . | trans | -77.5 | 0 | 174.7 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | L471 | L471-S475 WeakPolarHBondContact O-CA 3.31Å; L471-S475 WeakPolarHBondContact O-CB 3.41Å; L471-S475 PolarHBondContact O-N 3.42Å; L471-S475 PolarHBondContact O-OG 3.03Å |
Retrieved 475 of 475 residues in 194.3 ms
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