| 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 | 69.4 | Low | 84.7 | Confident | 223 Ų | 223 | 79.7 Ų | 79.7 | 100% | 1.099 | 39% | 0.394 | S | S | * | . | 0 | 152.3 | 0 | -76.6 | -169.1 | -81.8 | 0 | 0 | 109.4 | |||||
| 2 | I | 80.1 | Confident | 85.3 | Confident | 28 Ų | 28 | 84.2 Ų | 84.2 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | trans | -75.9 | 137.1 | 174.8 | -65 | 168.1 | 0 | 0 | 0 | 108 | R6 L7 M350 E351 | I2-R6 HydrophobicContact CG2-CB 4.06Å; I2-R6 HydrophobicContact CG2-CG 4.01Å; I2-L7 HydrophobicContact CG2-CB 3.97Å; I2-M350 HydrophobicContact CD1-CB 3.82Å; I2-M350 HydrophobicContact CD1-CG 4.22Å; I2-M350 HydrophobicContact CD1-SD 3.33Å; I2-M350 WeakPolarHBondContact CD1-SD 3.4Å; I2-M350 HydrophobicContact CG1-CB 4.29Å; I2-E351 WeakPolarHBondContact CA-OE1 3.19Å; I2-E351 WeakPolarHBondContact CB-OE1 3.41Å; I2-E351 HydrophobicContact CG1-CG 4.44Å; I2-E351 WeakPolarHBondContact CG2-OE1 3.4Å | ||
| 3 | S | 80.3 | Confident | 85.8 | Confident | 35 Ų | 35 | 80 Ų | 80 | 25% | 0.245 | 39% | 0.394 | C | S | . | . | trans | -68.3 | 148.6 | 179.1 | 79.4 | 0 | 0 | 0 | 0 | 111.2 | E5 R6 L7 | S3-E5 PolarHBondContact O-N 3.48Å; S3-E5 PolarHBondContact OG-OE2 3.41Å; S3-R6 PolarHBondContact O-N 3.29Å; S3-R6 VanDerWaalsContact O-N 3.09Å; S3-R6 VanDerWaalsContact OG-CB 3.3Å; S3-R6 WeakPolarHBondContact OG-CB 3.49Å; S3-R6 PolarHBondContact OG-N 3Å; S3-R6 VanDerWaalsContact OG-N 3.15Å; S3-L7 WeakPolarHBondContact O-CB 3.42Å; S3-L7 PolarHBondContact O-N 3.25Å | ||
| 4 | P | 83.8 | Confident | 86.2 | Confident | 100 Ų | 100 | 81.7 Ų | 81.7 | 65% | 0.649 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -54.8 | -38.2 | 177.2 | -26.7 | 35.6 | 0 | 0 | 0 | 113.1 | L7 K8 | P4-L7 PolarHBondContact O-N 3.1Å; P4-K8 PolarHBondContact O-N 3.44Å |
| 5 | E | 83 | Confident | 86.6 | Confident | 123 Ų | 123 | 84.5 Ų | 84.5 | 58% | 0.575 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 178 | -60.6 | 70.7 | -151.9 | 0 | 0 | 111.4 | S3 K8 E9 | S3-E5 PolarHBondContact O-N 3.48Å; S3-E5 PolarHBondContact OG-OE2 3.41Å; E5-K8 WeakPolarHBondContact O-CB 3.4Å; E5-K8 PolarHBondContact O-N 2.91Å; E5-E9 PolarHBondContact O-N 3.23Å; E5-E9 VanDerWaalsContact O-N 3.07Å |
| 6 | R | 88.2 | Confident | 87.1 | Confident | 5 Ų | 5 | 81.3 Ų | 81.3 | 2% | 0.019 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 177.6 | -179.7 | 54.5 | 178.7 | 165.5 | 5.6 | 111.1 | I2 S3 K8 E9 L10 M350 E351 E378 | I2-R6 HydrophobicContact CG2-CB 4.06Å; I2-R6 HydrophobicContact CG2-CG 4.01Å; S3-R6 PolarHBondContact O-N 3.29Å; S3-R6 VanDerWaalsContact O-N 3.09Å; S3-R6 VanDerWaalsContact OG-CB 3.3Å; S3-R6 WeakPolarHBondContact OG-CB 3.49Å; S3-R6 PolarHBondContact OG-N 3Å; S3-R6 VanDerWaalsContact OG-N 3.15Å; R6-K8 VanDerWaalsContact C-N 3.29Å; R6-K8 PolarHBondContact O-N 3.41Å; R6-E9 IonicContact CZ-OE2 3.68Å; R6-E9 IonicContact NH1-OE1 3.21Å; R6-E9 IonicContact NH1-OE2 2.82Å; R6-E9 PolarHBondContact NH1-OE2 3.27Å; R6-E9 PolarHBondContact O-N 2.99Å; R6-L10 WeakPolarHBondContact O-CG 3.43Å; R6-L10 PolarHBondContact O-N 3.44Å; R6-M350 PolarHBondContact NE-O 3.41Å; R6-M350 PolarHBondContact NH2-O 3.5Å; R6-E351 WeakPolarHBondContact CG-OE1 3.43Å; R6-E378 IonicContact CZ-OE1 2.66Å; R6-E378 IonicContact NH1-OE1 2.86Å; R6-E378 PolarHBondContact NH1-OE1 3.34Å; R6-E378 IonicContact NH2-OE1 2.72Å; R6-E378 PolarHBondContact NH2-OE1 2.93Å |
| 7 | L | 88 | Confident | 87.4 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 175.3 | -173.1 | 61.8 | 0 | 0 | 0 | 111.2 | I2 S3 P4 L10 Y11 L338 | I2-L7 HydrophobicContact CG2-CB 3.97Å; S3-L7 WeakPolarHBondContact O-CB 3.42Å; S3-L7 PolarHBondContact O-N 3.25Å; P4-L7 PolarHBondContact O-N 3.1Å; L7-L10 PolarHBondContact O-N 3.49Å; L7-Y11 HydrophobicContact CD1-CD2 4.07Å; L7-Y11 HydrophobicContact CD1-CE2 3.58Å; L7-Y11 HydrophobicContact CD2-CE2 4.06Å; L7-Y11 HydrophobicContact CG-CD2 3.85Å; L7-Y11 HydrophobicContact CG-CE2 3.55Å; L7-Y11 WeakPolarHBondContact O-CD2 3.41Å; L7-Y11 PolarHBondContact O-N 2.97Å; L7-L338 HydrophobicContact CD1-CD1 3.69Å |
| 8 | K | 88.8 | Confident | 87.6 | Confident | 136 Ų | 136 | 75.2 Ų | 75.2 | 59% | 0.591 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.6 | -48.2 | 173.8 | -175.3 | -179.3 | 175.1 | -176.4 | 0 | 112.1 | P4 E5 R6 L10 Y11 E12 | P4-K8 PolarHBondContact O-N 3.44Å; E5-K8 WeakPolarHBondContact O-CB 3.4Å; E5-K8 PolarHBondContact O-N 2.91Å; R6-K8 VanDerWaalsContact C-N 3.29Å; R6-K8 PolarHBondContact O-N 3.41Å; K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 2.96Å; K8-Y11 PolarHBondContact O-N 3.38Å; K8-E12 WeakPolarHBondContact CE-OE1 3.41Å; K8-E12 WeakPolarHBondContact O-CG 3.46Å; K8-E12 PolarHBondContact O-N 3Å |
| 9 | E | 88.8 | Confident | 87.9 | Confident | 45 Ų | 45 | 78.1 Ų | 78.1 | 21% | 0.21 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.3 | -39.7 | 176.6 | -174.6 | -173.9 | -171.8 | 0 | 0 | 111.7 | E5 R6 N13 R375 | E5-E9 PolarHBondContact O-N 3.23Å; E5-E9 VanDerWaalsContact O-N 3.07Å; R6-E9 IonicContact CZ-OE2 3.68Å; R6-E9 IonicContact NH1-OE1 3.21Å; R6-E9 IonicContact NH1-OE2 2.82Å; R6-E9 PolarHBondContact NH1-OE2 3.27Å; R6-E9 PolarHBondContact O-N 2.99Å; E9-N13 PolarHBondContact O-ND2 3.12Å; E9-R375 IonicContact OE1-CZ 3.11Å; E9-R375 IonicContact OE1-NH1 2.75Å; E9-R375 IonicContact OE1-NH2 3.67Å; E9-R375 PolarHBondContact OE1-NH2 3.02Å |
| 10 | L | 90.4 | Very high | 88.1 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 175.7 | -70 | 173.5 | 0 | 0 | 0 | 111.1 | R6 L7 K8 E12 N13 R14 F342 M350 | R6-L10 WeakPolarHBondContact O-CG 3.43Å; R6-L10 PolarHBondContact O-N 3.44Å; L7-L10 PolarHBondContact O-N 3.49Å; K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 2.96Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 3.26Å; L10-N13 PolarHBondContact O-N 2.95Å; L10-R14 PolarHBondContact O-N 3.25Å; L10-F342 HydrophobicContact CB-CD1 4.31Å; L10-F342 HydrophobicContact CB-CE1 3.73Å; L10-F342 HydrophobicContact CB-CE2 4.26Å; L10-F342 HydrophobicContact CB-CZ 3.71Å; L10-F342 HydrophobicContact CD2-CD1 3.8Å; L10-F342 HydrophobicContact CD2-CE1 4Å; L10-F342 HydrophobicContact CD2-CG 4.34Å; L10-F342 HydrophobicContact CG-CE1 4.44Å; L10-F342 WeakPolarHBondContact O-CE1 3.02Å; L10-F342 VanDerWaalsContact O-CZ 3.23Å; L10-F342 WeakPolarHBondContact O-CZ 3.34Å; L10-M350 HydrophobicContact CD1-CB 4.31Å; L10-M350 HydrophobicContact CD1-CG 4.44Å; L10-M350 HydrophobicContact CD1-SD 4.46Å |
| 11 | Y | 91.2 | Very high | 88.1 | Confident | 114 Ų | 114 | 72 Ų | 72 | 45% | 0.447 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 179.3 | -81.4 | -63.4 | 0 | 0 | 0 | 113.4 | L7 K8 N13 R14 L338 | L7-Y11 HydrophobicContact CD1-CD2 4.07Å; L7-Y11 HydrophobicContact CD1-CE2 3.58Å; L7-Y11 HydrophobicContact CD2-CE2 4.06Å; L7-Y11 HydrophobicContact CG-CD2 3.85Å; L7-Y11 HydrophobicContact CG-CE2 3.55Å; L7-Y11 WeakPolarHBondContact O-CD2 3.41Å; L7-Y11 PolarHBondContact O-N 2.97Å; K8-Y11 PolarHBondContact O-N 3.38Å; Y11-N13 PolarHBondContact O-N 3.24Å; Y11-R14 WeakPolarHBondContact O-CB 3.49Å; Y11-R14 PolarHBondContact O-N 3.13Å; Y11-L338 HydrophobicContact CE1-CD1 4.23Å; Y11-L338 HydrophobicContact CE1-CD2 3.91Å; Y11-L338 HydrophobicContact CE2-CD1 4.21Å; Y11-L338 WeakPolarHBondContact OH-CD1 3.31Å |
| 12 | E | 92.2 | Very high | 89 | Confident | 133 Ų | 133 | 63.4 Ų | 63.4 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.1 | -29 | 176.7 | -74.7 | 173 | -179.6 | 0 | 0 | 112.9 | K8 L10 | K8-E12 WeakPolarHBondContact CE-OE1 3.41Å; K8-E12 WeakPolarHBondContact O-CG 3.46Å; K8-E12 PolarHBondContact O-N 3Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 3.26Å |
| 13 | N | 91.4 | Very high | 89.4 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.16 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -0.1 | -177.9 | -63.4 | -67.1 | 0 | 0 | 0 | 113.8 | E9 L10 Y11 D15 A16 I17 K379 | E9-N13 PolarHBondContact O-ND2 3.12Å; L10-N13 PolarHBondContact O-N 2.95Å; Y11-N13 PolarHBondContact O-N 3.24Å; N13-D15 PolarHBondContact O-N 3.32Å; N13-A16 PolarHBondContact O-N 2.88Å; N13-I17 HydrophobicContact CB-CD1 3.94Å; N13-I17 HydrophobicContact CB-CG1 4.42Å; N13-I17 VanDerWaalsContact O-CG1 3.28Å; N13-I17 WeakPolarHBondContact O-CG1 3.48Å; N13-I17 PolarHBondContact O-N 3.06Å; N13-K379 WeakPolarHBondContact OD1-CA 3.19Å |
| 14 | R | 91.4 | Very high | 89.7 | Confident | 104 Ų | 104 | 68.6 Ų | 68.6 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.1 | -48.7 | -170 | -172.7 | -176.5 | -176.4 | -149.1 | -1.2 | 113.1 | L10 Y11 A16 I17 A18 D341 F342 | L10-R14 PolarHBondContact O-N 3.25Å; Y11-R14 WeakPolarHBondContact O-CB 3.49Å; Y11-R14 PolarHBondContact O-N 3.13Å; R14-A16 PolarHBondContact O-N 3.43Å; R14-I17 PolarHBondContact O-N 2.98Å; R14-A18 WeakPolarHBondContact O-CB 3.4Å; R14-A18 PolarHBondContact O-N 3Å; R14-D341 IonicContact CZ-OD2 2.81Å; R14-D341 IonicContact NE-OD2 3.99Å; R14-D341 PolarHBondContact NE-OD2 3.48Å; R14-D341 IonicContact NH2-OD1 3.39Å; R14-D341 IonicContact NH2-OD2 2.73Å; R14-D341 PolarHBondContact NH2-OD2 2.79Å; R14-F342 HydrophobicContact CB-CZ 4.12Å; R14-F342 HydrophobicContact CG-CZ 4.18Å |
| 15 | D | 92.6 | Very high | 89.7 | Confident | 124 Ų | 124 | 71 Ų | 71 | 66% | 0.663 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.4 | -39.4 | -176.1 | -67 | -16 | 0 | 0 | 0 | 111.9 | N13 A18 Q19 | N13-D15 PolarHBondContact O-N 3.32Å; D15-A18 WeakPolarHBondContact O-CB 3.43Å; D15-A18 PolarHBondContact O-N 3.37Å; D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-N 2.9Å; D15-Q19 VanDerWaalsContact O-N 3.15Å |
| 16 | A | 93.9 | Very high | 89.8 | Confident | 32 Ų | 32 | 74.1 Ų | 74.1 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N13 R14 Q19 V20 K379 | N13-A16 PolarHBondContact O-N 2.88Å; R14-A16 PolarHBondContact O-N 3.43Å; A16-Q19 WeakPolarHBondContact O-CB 3.44Å; A16-Q19 PolarHBondContact O-N 3.39Å; A16-V20 PolarHBondContact O-N 2.94Å; A16-K379 WeakPolarHBondContact CB-O 3.32Å |
| 17 | I | 92.7 | Very high | 89.5 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.015 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 175.9 | -64.5 | 165.2 | 0 | 0 | 0 | 111.2 | N13 R14 Q19 V20 N21 D341 F342 F343 E378 | N13-I17 HydrophobicContact CB-CD1 3.94Å; N13-I17 HydrophobicContact CB-CG1 4.42Å; N13-I17 VanDerWaalsContact O-CG1 3.28Å; N13-I17 WeakPolarHBondContact O-CG1 3.48Å; N13-I17 PolarHBondContact O-N 3.06Å; R14-I17 PolarHBondContact O-N 2.98Å; I17-Q19 VanDerWaalsContact C-N 3.26Å; I17-Q19 PolarHBondContact O-N 2.91Å; I17-V20 CarbonylContact O-C 3.53Å; I17-V20 WeakPolarHBondContact O-CA 3.19Å; I17-V20 WeakPolarHBondContact O-CB 3.3Å; I17-V20 PolarHBondContact O-N 3.42Å; I17-N21 PolarHBondContact O-N 3.33Å; I17-D341 WeakPolarHBondContact CG2-O 3.37Å; I17-F342 HydrophobicContact CD1-CD1 3.64Å; I17-F342 HydrophobicContact CD1-CE1 3.69Å; I17-F343 HydrophobicContact CD1-CE2 4.16Å; I17-F343 HydrophobicContact CG1-CE2 4.21Å; I17-F343 HydrophobicContact CG1-CZ 4.35Å; I17-F343 HydrophobicContact CG2-CD2 4.33Å; I17-F343 HydrophobicContact CG2-CE1 4.45Å; I17-F343 HydrophobicContact CG2-CE2 3.68Å; I17-F343 HydrophobicContact CG2-CZ 3.76Å; I17-E378 WeakPolarHBondContact CD1-O 3.45Å |
| 18 | A | 91.4 | Very high | 89 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 41% | 0.413 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R14 D15 V20 N21 A22 | R14-A18 WeakPolarHBondContact O-CB 3.4Å; R14-A18 PolarHBondContact O-N 3Å; D15-A18 WeakPolarHBondContact O-CB 3.43Å; D15-A18 PolarHBondContact O-N 3.37Å; A18-V20 PolarHBondContact O-N 2.91Å; A18-N21 PolarHBondContact O-N 3.27Å; A18-A22 PolarHBondContact O-N 3.43Å |
| 19 | Q | 91.7 | Very high | 88.3 | Confident | 131 Ų | 131 | 70.7 Ų | 70.7 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.3 | -39.2 | 173.3 | -64.6 | 176.7 | 9.9 | 0 | 0 | 112.5 | D15 A16 I17 N21 A22 K23 | D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-N 2.9Å; D15-Q19 VanDerWaalsContact O-N 3.15Å; A16-Q19 WeakPolarHBondContact O-CB 3.44Å; A16-Q19 PolarHBondContact O-N 3.39Å; I17-Q19 VanDerWaalsContact C-N 3.26Å; I17-Q19 PolarHBondContact O-N 2.91Å; Q19-N21 VanDerWaalsContact C-N 3.34Å; Q19-A22 PolarHBondContact O-N 3.43Å; Q19-K23 WeakPolarHBondContact O-CG 3.29Å; Q19-K23 PolarHBondContact O-N 3.4Å |
| 20 | V | 91.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 173.7 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | A16 I17 A18 K23 R24 F343 L377 G380 L382 | A16-V20 PolarHBondContact O-N 2.94Å; I17-V20 CarbonylContact O-C 3.53Å; I17-V20 WeakPolarHBondContact O-CA 3.19Å; I17-V20 WeakPolarHBondContact O-CB 3.3Å; I17-V20 PolarHBondContact O-N 3.42Å; A18-V20 PolarHBondContact O-N 2.91Å; V20-K23 PolarHBondContact O-N 2.97Å; V20-R24 PolarHBondContact O-N 2.64Å; V20-F343 HydrophobicContact CG1-CE1 4.47Å; V20-L377 HydrophobicContact CG1-CD1 4.11Å; V20-G380 WeakPolarHBondContact CG2-O 3.49Å; V20-L382 HydrophobicContact CG1-CD1 4.11Å; V20-L382 HydrophobicContact CG2-CB 4.18Å; V20-L382 HydrophobicContact CG2-CD1 4.46Å |
| 21 | N | 88.3 | Confident | 86.8 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.134 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 175.9 | -72.4 | -28.1 | 0 | 0 | 0 | 111.5 | I17 A18 Q19 K23 R24 E25 R102 D341 | I17-N21 PolarHBondContact O-N 3.33Å; A18-N21 PolarHBondContact O-N 3.27Å; Q19-N21 VanDerWaalsContact C-N 3.34Å; N21-K23 VanDerWaalsContact C-N 3.32Å; N21-K23 PolarHBondContact O-N 2.96Å; N21-R24 WeakPolarHBondContact O-CB 3.43Å; N21-R24 PolarHBondContact O-N 2.63Å; N21-E25 WeakPolarHBondContact O-CG 3.22Å; N21-E25 PolarHBondContact O-N 2.82Å; N21-R102 PolarHBondContact OD1-NH2 2.93Å; N21-D341 PolarHBondContact ND2-O 3.06Å; N21-D341 VanDerWaalsContact ND2-O 3.16Å |
| 22 | A | 89.1 | Confident | 85.9 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A18 Q19 K26 | A18-A22 PolarHBondContact O-N 3.43Å; Q19-A22 PolarHBondContact O-N 3.43Å; A22-K26 WeakPolarHBondContact O-CG 2.96Å; A22-K26 PolarHBondContact O-N 3.21Å |
| 23 | K | 89.2 | Confident | 84.9 | Confident | 97 Ų | 97 | 64.2 Ų | 64.2 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 173.3 | -75.8 | -176.7 | 178.6 | -176.9 | 0 | 111.7 | Q19 V20 N21 K26 A27 V49 L382 E383 | Q19-K23 WeakPolarHBondContact O-CG 3.29Å; Q19-K23 PolarHBondContact O-N 3.4Å; V20-K23 PolarHBondContact O-N 2.97Å; N21-K23 VanDerWaalsContact C-N 3.32Å; N21-K23 PolarHBondContact O-N 2.96Å; K23-K26 PolarHBondContact O-N 2.91Å; K23-A27 PolarHBondContact O-N 3.21Å; K23-V49 HydrophobicContact CB-CG2 4.06Å; K23-L382 HydrophobicContact CB-CD2 4.44Å; K23-L382 HydrophobicContact CD-CD2 3.55Å; K23-E383 IonicContact NZ-OE1 3.96Å |
| 24 | R | 86.2 | Confident | 84 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.8 | -178.7 | -93.1 | 176.3 | -170.1 | -3.4 | 112.4 | V20 N21 K26 A27 V49 R102 | V20-R24 PolarHBondContact O-N 2.64Å; N21-R24 WeakPolarHBondContact O-CB 3.43Å; N21-R24 PolarHBondContact O-N 2.63Å; R24-K26 PolarHBondContact O-N 3.47Å; R24-A27 WeakPolarHBondContact O-CB 3.5Å; R24-A27 PolarHBondContact O-N 3.34Å; R24-V49 HydrophobicContact CB-CG2 3.81Å; R24-R102 VanDerWaalsContact CB-NH2 3.27Å |
| 25 | E | 83.3 | Confident | 83 | Confident | 150 Ų | 150 | 69.5 Ų | 69.5 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.9 | -31.8 | 179.6 | -73.9 | 172.1 | -180 | 0 | 0 | 112.6 | N21 A27 | N21-E25 WeakPolarHBondContact O-CG 3.22Å; N21-E25 PolarHBondContact O-N 2.82Å; E25-A27 VanDerWaalsContact C-N 3.32Å |
| 26 | K | 84.5 | Confident | 81.9 | Confident | 188 Ų | 188 | 64 Ų | 64 | 82% | 0.817 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -15.5 | 174.3 | -64.1 | 176.1 | -176.1 | -179.1 | 0 | 113.4 | A22 K23 R24 | A22-K26 WeakPolarHBondContact O-CG 2.96Å; A22-K26 PolarHBondContact O-N 3.21Å; K23-K26 PolarHBondContact O-N 2.91Å; R24-K26 PolarHBondContact O-N 3.47Å |
| 27 | A | 82.1 | Confident | 80.7 | Confident | 37 Ų | 37 | 66.7 Ų | 66.7 | 31% | 0.306 | 34% | 0.338 | S | S | . | . | trans | -93.3 | 134.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K23 R24 E25 V49 F50 | K23-A27 PolarHBondContact O-N 3.21Å; R24-A27 WeakPolarHBondContact O-CB 3.5Å; R24-A27 PolarHBondContact O-N 3.34Å; E25-A27 VanDerWaalsContact C-N 3.32Å; A27-V49 HydrophobicContact CB-CG1 4.06Å; A27-F50 HydrophobicContact CB-CE1 3.88Å; A27-F50 HydrophobicContact CB-CE2 4.27Å; A27-F50 HydrophobicContact CB-CZ 3.48Å; A27-F50 VanDerWaalsContact CB-CZ 3.48Å | ||
| 28 | N | 77.4 | Confident | 79.6 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | trans | -109.8 | 107.4 | 178.1 | -173.2 | -11.1 | 0 | 0 | 0 | 110.9 | W30 T31 | N28-W30 PolarHBondContact O-N 2.84Å; N28-W30 VanDerWaalsContact OD1-CB 3.26Å; N28-W30 WeakPolarHBondContact OD1-CB 3.34Å; N28-W30 PolarHBondContact OD1-N 3.22Å; N28-T31 HydrophobicContact CB-CG2 3.96Å; N28-T31 PolarHBondContact O-N 2.92Å; N28-T31 PolarHBondContact O-OG1 3.09Å | ||
| 29 | A | 74.1 | Confident | 78.5 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 17% | 0.165 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -27.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | T31 I32 L33 F50 I207 | A29-T31 VanDerWaalsContact C-N 3.32Å; A29-T31 PolarHBondContact O-N 2.86Å; A29-I32 PolarHBondContact O-N 3.41Å; A29-L33 PolarHBondContact O-N 2.58Å; A29-F50 HydrophobicContact CB-CD1 3.94Å; A29-F50 HydrophobicContact CB-CE1 3.64Å; A29-F50 HydrophobicContact CB-CE2 4.48Å; A29-F50 HydrophobicContact CB-CG 4.47Å; A29-F50 HydrophobicContact CB-CZ 3.92Å; A29-I207 HydrophobicContact CB-CG2 3.76Å |
| 30 | W | 72.8 | Confident | 77.2 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 17% | 0.167 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.6 | -33.9 | 177.6 | -175.4 | -116 | 0 | 0 | 0 | 112.6 | N28 I32 L33 K34 I37 G157 Q158 I207 | N28-W30 PolarHBondContact O-N 2.84Å; N28-W30 VanDerWaalsContact OD1-CB 3.26Å; N28-W30 WeakPolarHBondContact OD1-CB 3.34Å; N28-W30 PolarHBondContact OD1-N 3.22Å; W30-I32 PolarHBondContact O-N 3.39Å; W30-L33 HydrophobicContact CE3-CB 4.35Å; W30-L33 PolarHBondContact O-N 2.77Å; W30-K34 HydrophobicContact CZ2-CB 4.37Å; W30-K34 WeakPolarHBondContact O-CB 3.28Å; W30-K34 WeakPolarHBondContact O-CG 3.48Å; W30-K34 PolarHBondContact O-N 3.4Å; W30-I37 HydrophobicContact CH2-CD1 3.68Å; W30-I37 HydrophobicContact CZ2-CD1 4.09Å; W30-G157 WeakPolarHBondContact CH2-O 3.47Å; W30-Q158 VanDerWaalsContact CH2-CA 3.45Å; W30-Q158 HydrophobicContact CH2-CB 4.09Å; W30-Q158 HydrophobicContact CH2-CG 4.12Å; W30-Q158 HydrophobicContact CZ2-CB 4.06Å; W30-Q158 HydrophobicContact CZ2-CG 3.67Å; W30-I207 HydrophobicContact CB-CD1 4.49Å; W30-I207 HydrophobicContact CE3-CD1 3.53Å; W30-I207 HydrophobicContact CE3-CG1 3.92Å; W30-I207 HydrophobicContact CZ3-CD1 4.2Å |
| 31 | T | 75.5 | Confident | 76 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66 | -23.7 | 178.1 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | N28 A29 K34 H35 | N28-T31 HydrophobicContact CB-CG2 3.96Å; N28-T31 PolarHBondContact O-N 2.92Å; N28-T31 PolarHBondContact O-OG1 3.09Å; A29-T31 VanDerWaalsContact C-N 3.32Å; A29-T31 PolarHBondContact O-N 2.86Å; T31-K34 VanDerWaalsContact O-CE 3.32Å; T31-K34 WeakPolarHBondContact O-CE 3.38Å; T31-K34 WeakPolarHBondContact O-CG 3.34Å; T31-H35 PolarHBondContact O-CD2 2.96Å |
| 32 | I | 71.5 | Confident | 74.8 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 22% | 0.221 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -84.9 | -47.7 | 175.2 | -64.8 | 149.8 | 0 | 0 | 0 | 110.2 | A29 W30 K34 H35 L44 P47 F50 | A29-I32 PolarHBondContact O-N 3.41Å; W30-I32 PolarHBondContact O-N 3.39Å; I32-K34 PolarHBondContact O-N 3.2Å; I32-H35 PolarHBondContact O-N 3.07Å; I32-L44 HydrophobicContact CG2-CD1 3.95Å; I32-P47 HydrophobicContact CD1-CG 3.7Å; I32-F50 HydrophobicContact CD1-CD2 4.28Å; I32-F50 HydrophobicContact CD1-CE2 3.38Å; I32-F50 HydrophobicContact CD1-CZ 4Å |
| 33 | L | 71.4 | Confident | 73.5 | Confident | 17 Ų | 17 | 83.5 Ų | 83.5 | 9% | 0.089 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.4 | -32.3 | -175.8 | -77.1 | 161.3 | 0 | 0 | 0 | 113.3 | A29 W30 H35 S36 I37 L44 L160 I207 | A29-L33 PolarHBondContact O-N 2.58Å; W30-L33 HydrophobicContact CE3-CB 4.35Å; W30-L33 PolarHBondContact O-N 2.77Å; L33-H35 PolarHBondContact O-N 3.03Å; L33-S36 WeakPolarHBondContact O-CA 3.47Å; L33-S36 PolarHBondContact O-N 2.66Å; L33-I37 PolarHBondContact O-N 3.06Å; L33-L44 HydrophobicContact CD2-CD2 3.47Å; L33-L44 VanDerWaalsContact CD2-CD2 3.47Å; L33-L44 HydrophobicContact CG-CD2 4.37Å; L33-L160 HydrophobicContact CD1-CD1 3.92Å; L33-I207 HydrophobicContact CB-CD1 4.3Å; L33-I207 HydrophobicContact CD1-CD1 3.1Å; L33-I207 HydrophobicContact CG-CD1 4.3Å |
| 34 | K | 73.5 | Confident | 72.4 | Confident | 98 Ų | 98 | 80.9 Ų | 80.9 | 43% | 0.426 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -56.3 | -33.1 | 177 | 72.4 | -179.1 | -175.8 | 174.3 | 0 | 112.7 | W30 T31 I32 S36 | W30-K34 HydrophobicContact CZ2-CB 4.37Å; W30-K34 WeakPolarHBondContact O-CB 3.28Å; W30-K34 WeakPolarHBondContact O-CG 3.48Å; W30-K34 PolarHBondContact O-N 3.4Å; T31-K34 VanDerWaalsContact O-CE 3.32Å; T31-K34 WeakPolarHBondContact O-CE 3.38Å; T31-K34 WeakPolarHBondContact O-CG 3.34Å; I32-K34 PolarHBondContact O-N 3.2Å; K34-S36 PolarHBondContact O-N 3.02Å |
| 35 | H | 70.7 | Confident | 71.6 | Confident | 147 Ų | 147 | 81 Ų | 81 | 68% | 0.681 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -78 | -11.5 | 178.6 | -68.3 | -63.3 | 0 | 0 | 0 | 113.1 | T31 I32 L33 | T31-H35 PolarHBondContact O-CD2 2.96Å; I32-H35 PolarHBondContact O-N 3.07Å; L33-H35 PolarHBondContact O-N 3.03Å |
| 36 | S | 68.6 | Low | 71.3 | Confident | 9 Ų | 9 | 75.5 Ų | 75.5 | 6% | 0.063 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -104 | 2 | 179.9 | -47.1 | 0 | 0 | 0 | 0 | 113.2 | L33 K34 G38 S39 L44 | L33-S36 WeakPolarHBondContact O-CA 3.47Å; L33-S36 PolarHBondContact O-N 2.66Å; K34-S36 PolarHBondContact O-N 3.02Å; S36-G38 PolarHBondContact O-N 3.1Å; S36-S39 VanDerWaalsContact CA-OG 3.3Å; S36-S39 WeakPolarHBondContact CA-OG 3.38Å; S36-S39 PolarHBondContact O-N 3.18Å; S36-S39 PolarHBondContact O-OG 3.24Å; S36-L44 WeakPolarHBondContact OG-CD1 3.49Å |
| 37 | I | 69.4 | Low | 71.3 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 45% | 0.451 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 125.3 | 177.7 | -60.1 | 179.1 | 0 | 0 | 0 | 108.5 | W30 L33 S39 I155 | W30-I37 HydrophobicContact CH2-CD1 3.68Å; W30-I37 HydrophobicContact CZ2-CD1 4.09Å; L33-I37 PolarHBondContact O-N 3.06Å; I37-S39 PolarHBondContact O-N 3.18Å; I37-I155 HydrophobicContact CG1-CD1 4.47Å; I37-I155 HydrophobicContact CG1-CG2 4.27Å |
| 38 | G | 69.1 | Low | 71.7 | Confident | 87 Ų | 87 | 66.6 Ų | 66.6 | 90% | 0.897 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -5.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | S36 | S36-G38 PolarHBondContact O-N 3.1Š|
| 39 | S | 67.7 | Low | 72.3 | Confident | 64 Ų | 64 | 64 Ų | 64 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -97.1 | 165.7 | 173.3 | 71.1 | 0 | 0 | 0 | 0 | 111.9 | S36 I37 L41 | S36-S39 VanDerWaalsContact CA-OG 3.3Å; S36-S39 WeakPolarHBondContact CA-OG 3.38Å; S36-S39 PolarHBondContact O-N 3.18Å; S36-S39 PolarHBondContact O-OG 3.24Å; I37-S39 PolarHBondContact O-N 3.18Å; S39-L41 PolarHBondContact O-N 3.21Å |
| 40 | D | 65.8 | Low | 73.1 | Confident | 95 Ų | 95 | 64 Ų | 64 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | trans | -67.7 | 103.6 | 172.7 | -176.9 | -2.5 | 0 | 0 | 0 | 110.2 | T42 R43 | D40-T42 PolarHBondContact O-N 2.66Å; D40-T42 VanDerWaalsContact OD1-CB 3.29Å; D40-T42 WeakPolarHBondContact OD1-CB 3.31Å; D40-T42 VanDerWaalsContact OD1-CG2 3.22Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.1Å; D40-T42 PolarHBondContact OD1-N 3.46Å; D40-T42 PolarHBondContact OD1-OG1 3.45Å; D40-T42 PolarHBondContact OD2-OG1 3.07Å; D40-R43 PolarHBondContact O-N 3.32Å | ||
| 41 | L | 65.4 | Low | 74.1 | Confident | 55 Ų | 55 | 62 Ų | 62 | 29% | 0.288 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -60.6 | -15.8 | -179.3 | -64.7 | 173.5 | 0 | 0 | 0 | 113.5 | S39 R43 L44 I155 | S39-L41 PolarHBondContact O-N 3.21Å; L41-R43 PolarHBondContact O-N 3.35Å; L41-L44 HydrophobicContact CD2-CD2 4.4Å; L41-L44 WeakPolarHBondContact O-CB 3.47Å; L41-L44 PolarHBondContact O-N 2.91Å; L41-L44 VanDerWaalsContact O-N 3.1Å; L41-I155 HydrophobicContact CD1-CD1 3.83Å; L41-I155 HydrophobicContact CD1-CG1 4Å; L41-I155 HydrophobicContact CD2-CD1 3.64Å; L41-I155 HydrophobicContact CG-CD1 4.26Å |
| 42 | T | 63.4 | Low | 74.9 | Confident | 97 Ų | 97 | 59.1 Ų | 59.1 | 60% | 0.595 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -62.5 | -22 | 176.8 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | D40 | D40-T42 PolarHBondContact O-N 2.66Å; D40-T42 VanDerWaalsContact OD1-CB 3.29Å; D40-T42 WeakPolarHBondContact OD1-CB 3.31Å; D40-T42 VanDerWaalsContact OD1-CG2 3.22Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.1Å; D40-T42 PolarHBondContact OD1-N 3.46Å; D40-T42 PolarHBondContact OD1-OG1 3.45Å; D40-T42 PolarHBondContact OD2-OG1 3.07Å |
| 43 | R | 62 | Low | 76.1 | Confident | 211 Ų | 211 | 57.1 Ų | 57.1 | 80% | 0.796 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -93.9 | -3.8 | 177 | -60.4 | -172 | -175.7 | -167 | 1.1 | 114.3 | D40 L41 T45 | D40-R43 PolarHBondContact O-N 3.32Å; L41-R43 PolarHBondContact O-N 3.35Å; R43-T45 PolarHBondContact O-N 3.44Å |
| 44 | L | 66 | Low | 77.4 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | trans | -74.8 | 109.4 | -179.1 | 179.2 | 63.4 | 0 | 0 | 0 | 110.9 | I32 L33 S36 L41 I46 | I32-L44 HydrophobicContact CG2-CD1 3.95Å; L33-L44 HydrophobicContact CD2-CD2 3.47Å; L33-L44 VanDerWaalsContact CD2-CD2 3.47Å; L33-L44 HydrophobicContact CG-CD2 4.37Å; S36-L44 WeakPolarHBondContact OG-CD1 3.49Å; L41-L44 HydrophobicContact CD2-CD2 4.4Å; L41-L44 WeakPolarHBondContact O-CB 3.47Å; L41-L44 PolarHBondContact O-N 2.91Å; L41-L44 VanDerWaalsContact O-N 3.1Å; L44-I46 HydrophobicContact CD2-CD1 4.3Å; L44-I46 HydrophobicContact CD2-CG1 3.89Å; L44-I46 HydrophobicContact CG-CG1 4.03Å; L44-I46 PolarHBondContact O-N 3.38Å | ||
| 45 | T | 69 | Low | 78.5 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | trans | -82.3 | 98.7 | 168.8 | -50.8 | 0 | 0 | 0 | 0 | 109.7 | R43 L390 | R43-T45 PolarHBondContact O-N 3.44Å; T45-L390 HydrophobicContact CG2-CD2 4.46Å | ||
| 46 | I | 77.3 | Confident | 79.7 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.185 | 26% | 0.264 | C | S | . | . | trans | -72.3 | 129.5 | 171.7 | -61.1 | -179.7 | 0 | 0 | 0 | 108.6 | L44 F50 K103 K389 | L44-I46 HydrophobicContact CD2-CD1 4.3Å; L44-I46 HydrophobicContact CD2-CG1 3.89Å; L44-I46 HydrophobicContact CG-CG1 4.03Å; L44-I46 PolarHBondContact O-N 3.38Å; I46-F50 HydrophobicContact CG2-CB 3.94Å; I46-F50 HydrophobicContact CG2-CD2 3.92Å; I46-F50 HydrophobicContact CG2-CG 4.29Å; I46-K103 HydrophobicContact CD1-CD 4.08Å; I46-K389 PolarHBondContact O-NZ 3.35Å | ||
| 47 | P | 84.3 | Confident | 81.1 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 24% | 0.24 | 26% | 0.261 | C | S | . | . | trans | -55.9 | 146.8 | 177.9 | -27.3 | 36 | 0 | 0 | 0 | 113.3 | I32 V49 F50 | I32-P47 HydrophobicContact CD1-CG 3.7Å; P47-V49 HydrophobicContact CB-CG1 4.21Å; P47-V49 PolarHBondContact O-N 3Å; P47-V49 VanDerWaalsContact O-N 3.16Å; P47-F50 HydrophobicContact CB-CD2 4.11Å; P47-F50 HydrophobicContact CB-CE2 4.25Å; P47-F50 HydrophobicContact CG-CD2 4.36Å; P47-F50 HydrophobicContact CG-CE2 4.22Å; P47-F50 PolarHBondContact O-N 3.4Å | ||
| 48 | I | 91.3 | Very high | 82.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -64.6 | -21.9 | -174.7 | -166.5 | 161.5 | 0 | 0 | 0 | 113.5 | F50 N51 F105 L377 L382 A385 E386 K389 | I48-F50 PolarHBondContact O-N 3.45Å; I48-F50 VanDerWaalsContact O-N 3.11Å; I48-N51 HydrophobicContact CG1-CB 4.45Å; I48-N51 VanDerWaalsContact O-CB 3.29Å; I48-N51 WeakPolarHBondContact O-CB 3.37Å; I48-N51 PolarHBondContact O-N 3.31Å; I48-F105 HydrophobicContact CD1-CE1 3.91Å; I48-F105 HydrophobicContact CD1-CZ 3.7Å; I48-F105 HydrophobicContact CG1-CE1 4.23Å; I48-F105 HydrophobicContact CG1-CZ 3.81Å; I48-L377 HydrophobicContact CG1-CD1 4.5Å; I48-L377 HydrophobicContact CG1-CD2 4.24Å; I48-L382 HydrophobicContact CG2-CD1 3.61Å; I48-L382 HydrophobicContact CG2-CG 4.11Å; I48-A385 HydrophobicContact CD1-CB 3.4Å; I48-A385 WeakPolarHBondContact CD1-O 3.49Å; I48-E386 HydrophobicContact CG2-CB 3.73Å; I48-E386 HydrophobicContact CG2-CG 4.15Å; I48-K389 HydrophobicContact CB-CD 4.35Å; I48-K389 HydrophobicContact CD1-CB 4.28Å; I48-K389 HydrophobicContact CD1-CD 4.2Å; I48-K389 HydrophobicContact CG1-CD 4.42Å |
| 49 | V | 90.4 | Very high | 83.7 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -61.5 | -20.5 | 177.6 | 75.2 | 0 | 0 | 0 | 0 | 113.2 | K23 R24 A27 P47 R102 L382 | K23-V49 HydrophobicContact CB-CG2 4.06Å; R24-V49 HydrophobicContact CB-CG2 3.81Å; A27-V49 HydrophobicContact CB-CG1 4.06Å; P47-V49 HydrophobicContact CB-CG1 4.21Å; P47-V49 PolarHBondContact O-N 3Å; P47-V49 VanDerWaalsContact O-N 3.16Å; V49-R102 PolarHBondContact O-NH1 3.13Å; V49-L382 HydrophobicContact CB-CD1 4.35Å; V49-L382 HydrophobicContact CB-CD2 4.33Å; V49-L382 HydrophobicContact CG2-CD2 4.21Å |
| 50 | F | 89.8 | Confident | 85 | Confident | 21 Ų | 21 | 35.7 Ų | 35.7 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -89.5 | -2.8 | 174.4 | -61.3 | -70.5 | 0 | 0 | 0 | 113.6 | A27 A29 I32 I46 P47 I48 R102 K103 | A27-F50 HydrophobicContact CB-CE1 3.88Å; A27-F50 HydrophobicContact CB-CE2 4.27Å; A27-F50 HydrophobicContact CB-CZ 3.48Å; A27-F50 VanDerWaalsContact CB-CZ 3.48Å; A29-F50 HydrophobicContact CB-CD1 3.94Å; A29-F50 HydrophobicContact CB-CE1 3.64Å; A29-F50 HydrophobicContact CB-CE2 4.48Å; A29-F50 HydrophobicContact CB-CG 4.47Å; A29-F50 HydrophobicContact CB-CZ 3.92Å; I32-F50 HydrophobicContact CD1-CD2 4.28Å; I32-F50 HydrophobicContact CD1-CE2 3.38Å; I32-F50 HydrophobicContact CD1-CZ 4Å; I46-F50 HydrophobicContact CG2-CB 3.94Å; I46-F50 HydrophobicContact CG2-CD2 3.92Å; I46-F50 HydrophobicContact CG2-CG 4.29Å; P47-F50 HydrophobicContact CB-CD2 4.11Å; P47-F50 HydrophobicContact CB-CE2 4.25Å; P47-F50 HydrophobicContact CG-CD2 4.36Å; P47-F50 HydrophobicContact CG-CE2 4.22Å; P47-F50 PolarHBondContact O-N 3.4Å; I48-F50 PolarHBondContact O-N 3.45Å; I48-F50 VanDerWaalsContact O-N 3.11Å; F50-R102 VanDerWaalsContact O-CA 3.3Å; F50-R102 WeakPolarHBondContact O-CA 2.94Å; F50-R102 WeakPolarHBondContact O-CB 3.44Å; F50-K103 PolarHBondContact O-N 2.97Å |
| 51 | N | 93 | Very high | 86.5 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 155.2 | 175.3 | -71.6 | 47.1 | 0 | 0 | 0 | 111.1 | I48 R102 K103 F105 L377 | I48-N51 HydrophobicContact CG1-CB 4.45Å; I48-N51 VanDerWaalsContact O-CB 3.29Å; I48-N51 WeakPolarHBondContact O-CB 3.37Å; I48-N51 PolarHBondContact O-N 3.31Å; N51-R102 WeakPolarHBondContact O-CD 3.19Å; N51-R102 PolarHBondContact O-NH1 3.16Å; N51-K103 CarbonylContact C-O 3.58Å; N51-K103 WeakPolarHBondContact CA-O 3.46Å; N51-K103 VanDerWaalsContact OD1-CE 3.24Å; N51-K103 WeakPolarHBondContact OD1-CE 3.34Å; N51-F105 HydrophobicContact CB-CD2 4.12Å; N51-F105 HydrophobicContact CB-CE2 3.67Å; N51-F105 HydrophobicContact CB-CZ 4.04Å; N51-F105 WeakPolarHBondContact ND2-CD2 3.49Å; N51-F105 WeakPolarHBondContact ND2-CG 3.36Å; N51-L377 HydrophobicContact CB-CD2 3.96Å |
| 52 | E | 94.2 | Very high | 88 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 158.5 | 156.6 | 60.9 | -179.9 | -162.5 | 0 | 0 | 108.7 | L54 R59 R100 R102 K103 F105 F345 | E52-L54 HydrophobicContact CG-CB 4.39Å; E52-L54 PolarHBondContact O-N 3.47Å; E52-R59 IonicContact OE1-CZ 3.71Å; E52-R59 IonicContact OE1-NE 2.79Å; E52-R59 PolarHBondContact OE1-NE 3.43Å; E52-R59 IonicContact OE1-NH2 3.59Å; E52-R59 PolarHBondContact OE1-NH2 3.07Å; E52-R59 IonicContact OE2-CZ 3.5Å; E52-R59 IonicContact OE2-NH2 3.67Å; E52-R59 PolarHBondContact OE2-NH2 3.02Å; E52-R100 IonicContact OE1-CZ 2.71Å; E52-R100 IonicContact OE1-NH2 3.16Å; E52-R100 PolarHBondContact OE1-NH2 3.5Å; E52-R100 IonicContact OE2-CZ 3.83Å; E52-R100 VanDerWaalsContact OE2-CZ 3.27Å; E52-R100 IonicContact OE2-NE 3.34Å; E52-R100 PolarHBondContact OE2-NE 3.04Å; E52-R100 IonicContact OE2-NH2 3.09Å; E52-R100 PolarHBondContact OE2-NH2 3.01Å; E52-R102 HydrophobicContact CB-CB 3.88Å; E52-R102 HydrophobicContact CG-CB 4.44Å; E52-K103 PolarHBondContact N-O 3.39Å; E52-F105 VanDerWaalsContact O-CD2 3.27Å; E52-F105 WeakPolarHBondContact O-CD2 3.27Å; E52-F105 WeakPolarHBondContact O-CE2 3.27Å; E52-F345 HydrophobicContact CB-CE1 4.03Å; E52-F345 HydrophobicContact CB-CZ 4.11Å; E52-F345 WeakPolarHBondContact OE2-CE1 3.46Å |
| 53 | P | 96.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 51.5 | -177.2 | 35.8 | -40.1 | 0 | 0 | 0 | 112.2 | F343 F345 N353 I374 L377 E378 | P53-F343 HydrophobicContact CG-CD2 3.74Å; P53-F343 HydrophobicContact CG-CE1 4.41Å; P53-F343 HydrophobicContact CG-CE2 3.5Å; P53-F343 HydrophobicContact CG-CG 4.31Å; P53-F343 HydrophobicContact CG-CZ 3.86Å; P53-F345 HydrophobicContact CG-CE2 4.16Å; P53-F345 HydrophobicContact CG-CZ 4.05Å; P53-N353 PolarHBondContact O-ND2 3.05Å; P53-I374 HydrophobicContact CB-CG2 4.43Å; P53-I374 VanDerWaalsContact O-CG2 3.32Å; P53-I374 WeakPolarHBondContact O-CG2 2.89Å; P53-L377 HydrophobicContact CB-CB 4.35Å; P53-L377 HydrophobicContact CB-CD2 4.35Å; P53-L377 HydrophobicContact CB-CG 4.27Å; P53-E378 HydrophobicContact CB-CB 3.76Å; P53-E378 HydrophobicContact CB-CG 4.36Å; P53-E378 HydrophobicContact CG-CB 4.35Å |
| 54 | L | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 142.3 | 172.5 | -64.8 | 177.7 | 0 | 0 | 0 | 110.2 | E52 Q58 R100 P104 F105 F345 L352 | E52-L54 HydrophobicContact CG-CB 4.39Å; E52-L54 PolarHBondContact O-N 3.47Å; L54-Q58 HydrophobicContact CB-CB 4.23Å; L54-Q58 HydrophobicContact CD2-CB 4.13Å; L54-R100 VanDerWaalsContact CD1-NH2 3.27Å; L54-P104 CarbonylContact O-C 3.6Å; L54-P104 WeakPolarHBondContact O-CA 3.34Å; L54-P104 WeakPolarHBondContact O-CB 3.47Å; L54-F105 PolarHBondContact O-N 2.85Å; L54-F345 HydrophobicContact CD1-CE1 4.18Å; L54-F345 HydrophobicContact CD1-CE2 4.27Å; L54-F345 HydrophobicContact CD1-CZ 3.78Å; L54-F345 HydrophobicContact CG-CE2 4.26Å; L54-F345 HydrophobicContact CG-CZ 3.81Å; L54-L352 HydrophobicContact CD1-CD1 4.1Å; L54-L352 HydrophobicContact CD2-CB 3.87Å; L54-L352 HydrophobicContact CD2-CD1 4.44Å |
| 55 | S | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 154.3 | 164 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | L57 Q58 R59 E111 S368 | S55-L57 PolarHBondContact O-N 3.37Å; S55-L57 PolarHBondContact OG-N 3.45Å; S55-Q58 WeakPolarHBondContact O-CB 3.49Å; S55-Q58 PolarHBondContact O-N 3.26Å; S55-R59 PolarHBondContact O-N 3.29Å; S55-E111 WeakPolarHBondContact CB-OE1 3.47Å; S55-E111 PolarHBondContact OG-OE1 3.04Å; S55-S368 WeakPolarHBondContact CB-OG 3.37Å |
| 56 | F | 96.2 | Very high | 93.8 | Very high | 41 Ų | 41 | 11.9 Ų | 11.9 | 18% | 0.18 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.9 | -26.9 | 173.1 | -177 | -112.5 | 0 | 0 | 0 | 112.1 | Q58 R59 L60 P104 F105 P107 S134 I149 P151 | F56-Q58 VanDerWaalsContact C-N 3.33Å; F56-Q58 PolarHBondContact O-N 2.88Å; F56-R59 HydrophobicContact CD2-CB 4.31Å; F56-R59 HydrophobicContact CD2-CG 4.38Å; F56-R59 WeakPolarHBondContact O-CB 3.44Å; F56-R59 PolarHBondContact O-N 3.32Å; F56-L60 WeakPolarHBondContact O-CB 3.32Å; F56-L60 PolarHBondContact O-N 3.22Å; F56-P104 HydrophobicContact CB-CB 4.39Å; F56-P104 HydrophobicContact CB-CG 4.1Å; F56-P104 HydrophobicContact CD2-CG 3.91Å; F56-F105 PolarHBondContact N-O 2.9Å; F56-P107 HydrophobicContact CB-CG 3.68Å; F56-S134 WeakPolarHBondContact CD1-OG 3.27Å; F56-I149 HydrophobicContact CE1-CB 4.28Å; F56-I149 HydrophobicContact CE1-CG2 4.39Å; F56-I149 HydrophobicContact CZ-CB 4.28Å; F56-I149 HydrophobicContact CZ-CD1 4.33Å; F56-I149 HydrophobicContact CZ-CG2 4.02Å; F56-P151 HydrophobicContact CE1-CG 3.96Å; F56-P151 HydrophobicContact CE2-CG 4.48Å; F56-P151 HydrophobicContact CZ-CG 3.77Å |
| 57 | L | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 172.9 | -56.8 | -175.6 | 0 | 0 | 0 | 111.8 | S55 L60 T61 P107 E111 C124 | S55-L57 PolarHBondContact O-N 3.37Å; S55-L57 PolarHBondContact OG-N 3.45Å; L57-L60 WeakPolarHBondContact O-CB 3Å; L57-L60 PolarHBondContact O-N 2.65Å; L57-T61 PolarHBondContact O-N 2.96Å; L57-P107 HydrophobicContact CD1-CB 4.14Å; L57-P107 HydrophobicContact CD2-CB 4.2Å; L57-P107 HydrophobicContact CD2-CG 3.94Å; L57-P107 HydrophobicContact CG-CB 3.81Å; L57-P107 HydrophobicContact CG-CG 3.72Å; L57-E111 HydrophobicContact CD1-CB 4.06Å; L57-E111 HydrophobicContact CD1-CG 4.07Å; L57-E111 WeakPolarHBondContact CD1-O 3.5Å; L57-C124 HydrophobicContact CB-CB 4.08Å; L57-C124 HydrophobicContact CD2-CB 4.18Å; L57-C124 HydrophobicContact CG-CB 4.47Å |
| 58 | Q | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.6 | -45 | 174.4 | -63.7 | 173.6 | -84.4 | 0 | 0 | 110.4 | L54 S55 F56 L60 T61 Y113 L352 N353 | L54-Q58 HydrophobicContact CB-CB 4.23Å; L54-Q58 HydrophobicContact CD2-CB 4.13Å; S55-Q58 WeakPolarHBondContact O-CB 3.49Å; S55-Q58 PolarHBondContact O-N 3.26Å; F56-Q58 VanDerWaalsContact C-N 3.33Å; F56-Q58 PolarHBondContact O-N 2.88Å; Q58-L60 PolarHBondContact O-N 3.2Å; Q58-T61 PolarHBondContact O-N 2.82Å; Q58-T61 PolarHBondContact O-OG1 3.17Å; Q58-Y113 HydrophobicContact CB-CE1 4.37Å; Q58-Y113 HydrophobicContact CG-CD1 4.06Å; Q58-Y113 HydrophobicContact CG-CD2 3.58Å; Q58-Y113 HydrophobicContact CG-CE1 4.03Å; Q58-Y113 HydrophobicContact CG-CE2 3.56Å; Q58-Y113 HydrophobicContact CG-CG 3.83Å; Q58-L352 HydrophobicContact CB-CD1 4.31Å; Q58-L352 PolarHBondContact NE2-O 3.29Å; Q58-N353 PolarHBondContact NE2-OD1 2.95Å |
| 59 | R | 95.5 | Very high | 95.3 | Very high | 17 Ų | 17 | 14.9 Ų | 14.9 | 6% | 0.064 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.9 | -35.8 | 175.1 | -177.8 | 66.6 | 78.7 | 132.6 | 27.3 | 112.3 | E52 S55 F56 T61 E62 N97 R102 P104 | E52-R59 IonicContact OE1-CZ 3.71Å; E52-R59 IonicContact OE1-NE 2.79Å; E52-R59 PolarHBondContact OE1-NE 3.43Å; E52-R59 IonicContact OE1-NH2 3.59Å; E52-R59 PolarHBondContact OE1-NH2 3.07Å; E52-R59 IonicContact OE2-CZ 3.5Å; E52-R59 IonicContact OE2-NH2 3.67Å; E52-R59 PolarHBondContact OE2-NH2 3.02Å; S55-R59 PolarHBondContact O-N 3.29Å; F56-R59 HydrophobicContact CD2-CB 4.31Å; F56-R59 HydrophobicContact CD2-CG 4.38Å; F56-R59 WeakPolarHBondContact O-CB 3.44Å; F56-R59 PolarHBondContact O-N 3.32Å; R59-T61 VanDerWaalsContact C-N 3.28Å; R59-T61 PolarHBondContact O-N 2.74Å; R59-E62 VanDerWaalsContact CD-OE1 3.23Å; R59-E62 WeakPolarHBondContact CD-OE1 3.35Å; R59-E62 IonicContact NE-OE1 3.46Å; R59-E62 WeakPolarHBondContact O-CB 3.38Å; R59-E62 PolarHBondContact O-N 2.91Å; R59-N97 WeakPolarHBondContact CD-OD1 3.48Å; R59-N97 PolarHBondContact NH1-OD1 2.79Å; R59-R102 PolarHBondContact NH2-O 3.32Å; R59-P104 HydrophobicContact CB-CB 4.4Å; R59-P104 HydrophobicContact CB-CG 4.37Å; R59-P104 HydrophobicContact CG-CG 4.46Å |
| 60 | L | 95.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 176.6 | -173.7 | 58.4 | 0 | 0 | 0 | 112.4 | F56 L57 Q58 E62 Y63 F136 I149 | F56-L60 WeakPolarHBondContact O-CB 3.32Å; F56-L60 PolarHBondContact O-N 3.22Å; L57-L60 WeakPolarHBondContact O-CB 3Å; L57-L60 PolarHBondContact O-N 2.65Å; Q58-L60 PolarHBondContact O-N 3.2Å; L60-E62 PolarHBondContact O-N 3.16Å; L60-Y63 HydrophobicContact CD1-CD2 4.46Å; L60-Y63 HydrophobicContact CD1-CE2 4.26Å; L60-Y63 WeakPolarHBondContact O-CD2 3.41Å; L60-Y63 PolarHBondContact O-N 3.25Å; L60-F136 HydrophobicContact CD1-CD1 3.87Å; L60-F136 HydrophobicContact CD1-CE1 4.17Å; L60-F136 HydrophobicContact CD1-CG 4.48Å; L60-F136 HydrophobicContact CD2-CB 3.68Å; L60-F136 HydrophobicContact CD2-CD1 3.71Å; L60-F136 HydrophobicContact CD2-CG 3.96Å; L60-F136 HydrophobicContact CG-CB 4.13Å; L60-F136 HydrophobicContact CG-CD1 3.87Å; L60-F136 HydrophobicContact CG-CG 4.05Å; L60-I149 HydrophobicContact CD1-CD1 3.22Å; L60-I149 HydrophobicContact CD1-CG1 3.79Å |
| 61 | T | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.8 | -14.1 | 175.9 | 69.1 | 0 | 0 | 0 | 0 | 113.9 | L57 Q58 R59 Y63 M64 Y113 V122 F348 | L57-T61 PolarHBondContact O-N 2.96Å; Q58-T61 PolarHBondContact O-N 2.82Å; Q58-T61 PolarHBondContact O-OG1 3.17Å; R59-T61 VanDerWaalsContact C-N 3.28Å; R59-T61 PolarHBondContact O-N 2.74Å; T61-Y63 PolarHBondContact O-N 3.07Å; T61-Y63 VanDerWaalsContact O-N 3.13Å; T61-M64 WeakPolarHBondContact O-CB 3.36Å; T61-M64 PolarHBondContact O-N 3.45Å; T61-Y113 HydrophobicContact CG2-CD1 3.53Å; T61-Y113 HydrophobicContact CG2-CE1 3.57Å; T61-V122 HydrophobicContact CG2-CB 4.39Å; T61-V122 HydrophobicContact CG2-CG1 4.06Å; T61-F348 WeakPolarHBondContact O-CE1 3.3Å; T61-F348 WeakPolarHBondContact O-CZ 3.33Å |
| 62 | E | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -64.3 | -15.4 | 175.6 | -61.8 | -169.8 | -138.4 | 0 | 0 | 113.1 | R59 L60 M64 Q65 S96 N97 R100 F348 L352 | R59-E62 VanDerWaalsContact CD-OE1 3.23Å; R59-E62 WeakPolarHBondContact CD-OE1 3.35Å; R59-E62 IonicContact NE-OE1 3.46Å; R59-E62 WeakPolarHBondContact O-CB 3.38Å; R59-E62 PolarHBondContact O-N 2.91Å; L60-E62 PolarHBondContact O-N 3.16Å; E62-M64 PolarHBondContact O-N 3.31Å; E62-M64 VanDerWaalsContact O-N 3.16Å; E62-Q65 VanDerWaalsContact O-CB 3.24Å; E62-Q65 WeakPolarHBondContact O-CB 3.4Å; E62-Q65 PolarHBondContact O-N 3.44Å; E62-S96 PolarHBondContact O-OG 2.95Å; E62-N97 PolarHBondContact OE2-OD1 3.43Å; E62-R100 IonicContact OE1-CZ 2.64Å; E62-R100 IonicContact OE1-NH1 3.29Å; E62-R100 PolarHBondContact OE1-NH1 3.03Å; E62-R100 IonicContact OE1-NH2 2.76Å; E62-R100 PolarHBondContact OE1-NH2 3.35Å; E62-R100 VanDerWaalsContact OE1-NH2 3.09Å; E62-R100 IonicContact OE2-CZ 3Å; E62-R100 IonicContact OE2-NH1 3.97Å; E62-R100 PolarHBondContact OE2-NH1 2.85Å; E62-F348 HydrophobicContact CG-CD1 4.23Å; E62-F348 HydrophobicContact CG-CE1 4.43Å; E62-L352 HydrophobicContact CG-CD1 3.82Å |
| 63 | Y | 95.9 | Very high | 95.6 | Very high | 22 Ų | 22 | 16.8 Ų | 16.8 | 9% | 0.086 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -59.2 | -24.4 | 168.5 | -76.6 | -112.7 | 0 | 0 | 0 | 112.2 | L60 T61 Q65 F89 A93 F145 I149 F168 N199 | L60-Y63 HydrophobicContact CD1-CD2 4.46Å; L60-Y63 HydrophobicContact CD1-CE2 4.26Å; L60-Y63 WeakPolarHBondContact O-CD2 3.41Å; L60-Y63 PolarHBondContact O-N 3.25Å; T61-Y63 PolarHBondContact O-N 3.07Å; T61-Y63 VanDerWaalsContact O-N 3.13Å; Y63-Q65 VanDerWaalsContact C-N 3.31Å; Y63-F89 VanDerWaalsContact O-CE2 3.28Å; Y63-F89 WeakPolarHBondContact O-CE2 3.47Å; Y63-F89 WeakPolarHBondContact O-CZ 3.39Å; Y63-A93 HydrophobicContact CD1-CB 3.4Å; Y63-A93 VanDerWaalsContact CD1-CB 3.4Å; Y63-A93 HydrophobicContact CE1-CB 3.9Å; Y63-A93 HydrophobicContact CG-CB 3.76Å; Y63-F145 HydrophobicContact CD1-CZ 4.15Å; Y63-I149 HydrophobicContact CE2-CD1 4.37Å; Y63-F168 HydrophobicContact CD1-CD1 4.17Å; Y63-F168 AromaticContact CD1-CE1 3.69Å; Y63-F168 HydrophobicContact CD1-CE1 3.69Å; Y63-F168 HydrophobicContact CD1-CZ 4.21Å; Y63-F168 AromaticContact CE1-CD1 3.98Å; Y63-F168 HydrophobicContact CE1-CD1 3.98Å; Y63-F168 AromaticContact CE1-CE1 3.22Å; Y63-F168 HydrophobicContact CE1-CE1 3.22Å; Y63-F168 HydrophobicContact CE1-CE2 4.06Å; Y63-F168 AromaticContact CE1-CZ 3.28Å; Y63-F168 HydrophobicContact CE1-CZ 3.28Å; Y63-F168 HydrophobicContact CE2-CE1 4.4Å; Y63-F168 HydrophobicContact CE2-CZ 4.43Å; Y63-F168 HydrophobicContact CG-CE1 4.44Å; Y63-F168 AromaticContact CZ-CE1 3.64Å; Y63-F168 AromaticContact CZ-CZ 3.42Å; Y63-F168 VanDerWaalsContact CZ-CZ 3.42Å; Y63-F168 VanDerWaalsContact OH-CZ 3.28Å; Y63-F168 WeakPolarHBondContact OH-CZ 3.27Å; Y63-N199 WeakPolarHBondContact CE1-ND2 3.31Å; Y63-N199 PolarHBondContact OH-ND2 3.17Å |
| 64 | M | 96.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -88.4 | 7.4 | 177.7 | -56.5 | -57.7 | -68.1 | 0 | 0 | 113.1 | T61 E62 Y66 S67 L70 F89 F120 V122 A138 F143 F145 F348 | T61-M64 WeakPolarHBondContact O-CB 3.36Å; T61-M64 PolarHBondContact O-N 3.45Å; E62-M64 PolarHBondContact O-N 3.31Å; E62-M64 VanDerWaalsContact O-N 3.16Å; M64-Y66 PolarHBondContact O-N 3.19Å; M64-S67 VanDerWaalsContact O-CB 3.32Å; M64-S67 WeakPolarHBondContact O-CB 3.47Å; M64-S67 PolarHBondContact O-N 3.15Å; M64-S67 VanDerWaalsContact O-N 3.14Å; M64-L70 HydrophobicContact CE-CD1 3.54Å; M64-L70 HydrophobicContact SD-CD1 4.27Å; M64-F89 HydrophobicContact SD-CZ 4.16Å; M64-F120 HydrophobicContact CB-CD2 4.41Å; M64-F120 HydrophobicContact CB-CE1 4.25Å; M64-F120 HydrophobicContact CB-CE2 3.6Å; M64-F120 HydrophobicContact CB-CZ 3.51Å; M64-F120 HydrophobicContact CE-CB 4.27Å; M64-F120 HydrophobicContact CE-CD1 4.15Å; M64-F120 HydrophobicContact CE-CD2 3.76Å; M64-F120 HydrophobicContact CE-CE1 4.47Å; M64-F120 HydrophobicContact CE-CE2 4.11Å; M64-F120 HydrophobicContact CE-CG 3.78Å; M64-F120 HydrophobicContact CE-CZ 4.45Å; M64-F120 HydrophobicContact CG-CD2 4.36Å; M64-F120 HydrophobicContact CG-CE2 3.89Å; M64-F120 HydrophobicContact CG-CZ 4.3Å; M64-V122 HydrophobicContact CG-CG2 3.98Å; M64-A138 HydrophobicContact CE-CB 4.01Å; M64-A138 HydrophobicContact CG-CB 4.44Å; M64-A138 HydrophobicContact SD-CB 3.96Å; M64-F143 HydrophobicContact CE-CE2 4.09Å; M64-F143 HydrophobicContact CE-CZ 4.15Å; M64-F145 HydrophobicContact SD-CD1 3.43Å; M64-F145 WeakPolarHBondContact SD-CD1 3.41Å; M64-F145 HydrophobicContact SD-CE1 3.93Å; M64-F145 HydrophobicContact SD-CG 4.42Å; M64-F348 HydrophobicContact CB-CZ 4.19Å |
| 65 | Q | 95.3 | Very high | 95.2 | Very high | 29 Ų | 29 | 24.1 Ų | 24.1 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -44.1 | 177.1 | 176.1 | -178.6 | -11.6 | 0 | 0 | 111.7 | E62 Y63 S96 N346 F348 | E62-Q65 VanDerWaalsContact O-CB 3.24Å; E62-Q65 WeakPolarHBondContact O-CB 3.4Å; E62-Q65 PolarHBondContact O-N 3.44Å; Y63-Q65 VanDerWaalsContact C-N 3.31Å; Q65-S96 PolarHBondContact OE1-OG 2.88Å; Q65-N346 PolarHBondContact OE1-ND2 3.06Å; Q65-N346 VanDerWaalsContact OE1-ND2 3.08Å; Q65-F348 HydrophobicContact CB-CB 4.29Å; Q65-F348 HydrophobicContact CB-CD1 4.46Å; Q65-F348 HydrophobicContact CB-CD2 4.23Å; Q65-F348 HydrophobicContact CB-CG 4.09Å; Q65-F348 HydrophobicContact CG-CB 3.97Å; Q65-F348 HydrophobicContact CG-CD2 4.48Å; Q65-F348 HydrophobicContact CG-CG 4.29Å |
| 66 | Y | 95.2 | Very high | 95 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 8% | 0.078 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 37.5 | -180 | -66 | -79.2 | 0 | 0 | 0 | 111.9 | M64 A68 L69 S92 W330 D333 | M64-Y66 PolarHBondContact O-N 3.19Å; Y66-A68 PolarHBondContact O-N 2.92Å; Y66-A68 VanDerWaalsContact O-N 3.08Å; Y66-L69 WeakPolarHBondContact O-CB 3.42Å; Y66-L69 PolarHBondContact O-N 2.66Å; Y66-S92 VanDerWaalsContact CD2-CB 3.41Å; Y66-S92 WeakPolarHBondContact CD2-OG 3.27Å; Y66-W330 AromaticContact CD1-CD1 3.76Å; Y66-W330 AromaticContact CD1-NE1 3.48Å; Y66-W330 AromaticContact CD2-NE1 3.64Å; Y66-W330 AromaticContact CE1-CD1 3.94Å; Y66-W330 AromaticContact CE1-NE1 3.3Å; Y66-W330 VanDerWaalsContact CE1-NE1 3.3Å; Y66-W330 HydrophobicContact CE2-CZ2 4.11Å; Y66-W330 AromaticContact CE2-NE1 3.45Å; Y66-W330 AromaticContact CG-NE1 3.66Å; Y66-W330 AromaticContact CZ-NE1 3.32Å; Y66-W330 VanDerWaalsContact CZ-NE1 3.32Å; Y66-D333 WeakPolarHBondContact CE1-OD2 3.36Å; Y66-D333 PolarHBondContact OH-N 3.14Å; Y66-D333 PolarHBondContact OH-OD2 2.76Å |
| 67 | S | 94.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 31.8 Ų | 31.8 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.5 | 179.9 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | M64 L69 L70 F120 | M64-S67 VanDerWaalsContact O-CB 3.32Å; M64-S67 WeakPolarHBondContact O-CB 3.47Å; M64-S67 PolarHBondContact O-N 3.15Å; M64-S67 VanDerWaalsContact O-N 3.14Å; S67-L69 PolarHBondContact O-N 2.99Å; S67-L70 WeakPolarHBondContact O-CB 3.45Å; S67-L70 PolarHBondContact O-N 2.75Å; S67-F120 VanDerWaalsContact CB-CE1 3.49Å; S67-F120 VanDerWaalsContact OG-CE1 3.25Å; S67-F120 WeakPolarHBondContact OG-CE1 3.46Å |
| 68 | A | 92.5 | Very high | 94.7 | Very high | 88 Ų | 88 | 34.6 Ų | 34.6 | 73% | 0.727 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -56.4 | -30 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y66 L70 G71 | Y66-A68 PolarHBondContact O-N 2.92Å; Y66-A68 VanDerWaalsContact O-N 3.08Å; A68-L70 PolarHBondContact O-N 2.59Å; A68-G71 PolarHBondContact O-N 3.37Å |
| 69 | L | 95.7 | Very high | 94.7 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -34.4 | 173.4 | -67.8 | 173.1 | 0 | 0 | 0 | 111.6 | Y66 S67 G71 S72 I73 A88 F89 W330 | Y66-L69 WeakPolarHBondContact O-CB 3.42Å; Y66-L69 PolarHBondContact O-N 2.66Å; S67-L69 PolarHBondContact O-N 2.99Å; L69-G71 PolarHBondContact O-N 2.82Å; L69-S72 PolarHBondContact O-N 3.11Å; L69-S72 VanDerWaalsContact O-N 3.13Å; L69-S72 PolarHBondContact O-OG 2.84Å; L69-I73 VanDerWaalsContact O-CG1 3.3Å; L69-I73 WeakPolarHBondContact O-CG1 3.25Å; L69-I73 PolarHBondContact O-N 3.15Å; L69-A88 HydrophobicContact CD1-CB 4.24Å; L69-F89 HydrophobicContact CB-CB 4.39Å; L69-F89 HydrophobicContact CD1-CB 4.25Å; L69-W330 HydrophobicContact CD1-CB 4.44Å |
| 70 | L | 95.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -40 | -179.5 | -60.7 | 169.8 | 0 | 0 | 0 | 111.7 | M64 S67 A68 S72 I73 T74 F89 F143 L170 | M64-L70 HydrophobicContact CE-CD1 3.54Å; M64-L70 HydrophobicContact SD-CD1 4.27Å; S67-L70 WeakPolarHBondContact O-CB 3.45Å; S67-L70 PolarHBondContact O-N 2.75Å; A68-L70 PolarHBondContact O-N 2.59Å; L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 2.64Å; L70-I73 HydrophobicContact CD2-CD1 4.15Å; L70-I73 WeakPolarHBondContact O-CB 3.19Å; L70-I73 PolarHBondContact O-N 3.15Å; L70-T74 WeakPolarHBondContact O-CG2 3.34Å; L70-T74 PolarHBondContact O-N 3.11Å; L70-T74 PolarHBondContact O-OG1 3.33Å; L70-F89 HydrophobicContact CD1-CE2 3.88Å; L70-F89 HydrophobicContact CD1-CZ 3.97Å; L70-F89 HydrophobicContact CD2-CD1 3.96Å; L70-F89 HydrophobicContact CD2-CD2 3.99Å; L70-F89 HydrophobicContact CD2-CE1 3.94Å; L70-F89 HydrophobicContact CD2-CE2 3.98Å; L70-F89 HydrophobicContact CD2-CG 3.98Å; L70-F89 HydrophobicContact CD2-CZ 3.96Å; L70-F89 HydrophobicContact CG-CD2 4.05Å; L70-F89 HydrophobicContact CG-CE2 3.88Å; L70-F89 HydrophobicContact CG-CZ 4.22Å; L70-F143 HydrophobicContact CB-CD1 4.01Å; L70-F143 HydrophobicContact CB-CE1 3.78Å; L70-F143 HydrophobicContact CB-CZ 4.16Å; L70-F143 HydrophobicContact CD1-CD2 4.17Å; L70-F143 HydrophobicContact CD1-CE1 4.02Å; L70-F143 HydrophobicContact CD1-CE2 3.6Å; L70-F143 HydrophobicContact CD1-CZ 3.5Å; L70-F143 HydrophobicContact CG-CZ 4.46Å; L70-L170 HydrophobicContact CD2-CD1 3.8Å; L70-L170 HydrophobicContact CD2-CD2 3.93Å |
| 71 | G | 91 | Very high | 94.9 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -35.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A68 L69 I73 T74 T75 | A68-G71 PolarHBondContact O-N 3.37Å; L69-G71 PolarHBondContact O-N 2.82Å; G71-I73 VanDerWaalsContact C-N 3.32Å; G71-T74 PolarHBondContact O-OG1 3.49Å; G71-T75 PolarHBondContact O-OG1 2.94Å |
| 72 | S | 92 | Very high | 94.9 | Very high | 37 Ų | 37 | 43 Ų | 43 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -74.7 | -21.4 | 174.6 | 82.2 | 0 | 0 | 0 | 0 | 113.6 | L69 L70 E76 K85 | L69-S72 PolarHBondContact O-N 3.11Å; L69-S72 VanDerWaalsContact O-N 3.13Å; L69-S72 PolarHBondContact O-OG 2.84Å; L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 2.64Å; S72-E76 WeakPolarHBondContact O-CB 3.13Å; S72-K85 WeakPolarHBondContact O-CD 3.34Å; S72-K85 PolarHBondContact O-NZ 2.94Å |
| 73 | I | 96 | Very high | 95 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -79.2 | -42.8 | 176.4 | -70.2 | 161.2 | 0 | 0 | 0 | 110.2 | L69 L70 G71 T75 E76 R82 K85 V86 F89 L170 L172 | L69-I73 VanDerWaalsContact O-CG1 3.3Å; L69-I73 WeakPolarHBondContact O-CG1 3.25Å; L69-I73 PolarHBondContact O-N 3.15Å; L70-I73 HydrophobicContact CD2-CD1 4.15Å; L70-I73 WeakPolarHBondContact O-CB 3.19Å; L70-I73 PolarHBondContact O-N 3.15Å; G71-I73 VanDerWaalsContact C-N 3.32Å; I73-T75 PolarHBondContact O-N 3.24Å; I73-E76 PolarHBondContact O-N 3.41Å; I73-R82 HydrophobicContact CG2-CG 3.88Å; I73-R82 WeakPolarHBondContact O-CD 3.19Å; I73-K85 HydrophobicContact CD1-CB 4.17Å; I73-K85 HydrophobicContact CG1-CB 3.45Å; I73-K85 VanDerWaalsContact CG1-CB 3.45Å; I73-K85 HydrophobicContact CG1-CD 4.45Å; I73-V86 HydrophobicContact CD1-CG2 4.03Å; I73-V86 HydrophobicContact CG1-CG2 4.31Å; I73-V86 HydrophobicContact CG2-CG2 3.89Å; I73-F89 HydrophobicContact CD1-CB 4.2Å; I73-L170 HydrophobicContact CD1-CD2 4.35Å; I73-L170 HydrophobicContact CG2-CD2 4.21Å; I73-L172 HydrophobicContact CG2-CD1 3.89Å; I73-L172 HydrophobicContact CG2-CD2 3.82Å; I73-L172 HydrophobicContact CG2-CG 4.48Å |
| 74 | T | 92.7 | Very high | 95.2 | Very high | 48 Ų | 48 | 42.3 Ų | 42.3 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.2 | -27.7 | -178.4 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | L70 G71 G142 F143 L172 | L70-T74 WeakPolarHBondContact O-CG2 3.34Å; L70-T74 PolarHBondContact O-N 3.11Å; L70-T74 PolarHBondContact O-OG1 3.33Å; G71-T74 PolarHBondContact O-OG1 3.49Å; T74-G142 VanDerWaalsContact CG2-O 3.25Å; T74-G142 WeakPolarHBondContact CG2-O 3.43Å; T74-F143 HydrophobicContact CG2-CB 4.07Å; T74-F143 HydrophobicContact CG2-CD1 4.17Å; T74-L172 HydrophobicContact CG2-CD2 4.11Å |
| 75 | T | 91.4 | Very high | 95.2 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 66% | 0.656 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -10 | -177.6 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | G71 I73 | G71-T75 PolarHBondContact O-OG1 2.94Å; I73-T75 PolarHBondContact O-N 3.24Å |
| 76 | E | 94.4 | Very high | 95.4 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 17% | 0.168 | 25% | 0.25 | C | C | . | . | trans | -75.3 | 126.9 | -179.2 | 179.3 | 58.5 | -110.6 | 0 | 0 | 111.1 | S72 I73 D78 K81 R82 K85 | S72-E76 WeakPolarHBondContact O-CB 3.13Å; I73-E76 PolarHBondContact O-N 3.41Å; E76-D78 PolarHBondContact OE1-N 3.42Å; E76-K81 HydrophobicContact CG-CB 3.83Å; E76-R82 HydrophobicContact CB-CB 4.17Å; E76-R82 HydrophobicContact CB-CG 4.19Å; E76-R82 HydrophobicContact CG-CB 3.82Å; E76-R82 HydrophobicContact CG-CG 4.4Å; E76-R82 PolarHBondContact O-NE 2.85Å; E76-R82 PolarHBondContact O-NH2 2.92Å; E76-K85 HydrophobicContact CB-CD 4.29Å; E76-K85 HydrophobicContact CG-CD 4.43Å; E76-K85 IonicContact OE2-NZ 2.72Å; E76-K85 PolarHBondContact OE2-NZ 2.86Å | ||
| 77 | E | 92.2 | Very high | 95.6 | Very high | 166 Ų | 166 | 42.2 Ų | 42.2 | 78% | 0.776 | 25% | 0.246 | S | C | * | . | trans | -86.3 | -40.2 | -179.4 | -65 | -169.4 | 158.3 | 0 | 0 | 112.3 | P79 R82 | E77-P79 VanDerWaalsContact O-CD 3.29Å; E77-P79 WeakPolarHBondContact O-CD 3.07Å; E77-R82 PolarHBondContact O-NH2 3.25Å | ||
| 78 | D | 95.8 | Very high | 95.7 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | trans | -70 | 116.3 | -177.2 | 179.1 | -14.6 | 0 | 0 | 0 | 110.7 | E76 V80 K81 R82 | E76-D78 PolarHBondContact OE1-N 3.42Å; D78-V80 PolarHBondContact O-N 2.87Å; D78-V80 VanDerWaalsContact O-N 3.16Å; D78-V80 WeakPolarHBondContact OD1-CB 3.47Å; D78-V80 PolarHBondContact OD1-N 3.3Å; D78-K81 HydrophobicContact CB-CB 4.08Å; D78-K81 HydrophobicContact CB-CD 4.04Å; D78-K81 HydrophobicContact CB-CG 4.09Å; D78-K81 PolarHBondContact O-N 2.81Å; D78-R82 VanDerWaalsContact O-CB 3.3Å; D78-R82 WeakPolarHBondContact O-CB 3.3Å; D78-R82 PolarHBondContact O-N 3.48Å | ||
| 79 | P | 96.8 | Very high | 96 | Very high | 52 Ų | 52 | 37.1 Ų | 37.1 | 34% | 0.338 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.7 | -29.2 | -179 | -24.2 | 34.7 | 0 | 0 | 0 | 114.3 | E77 I83 L226 | E77-P79 VanDerWaalsContact O-CD 3.29Å; E77-P79 WeakPolarHBondContact O-CD 3.07Å; P79-I83 WeakPolarHBondContact O-CG2 3.31Å; P79-I83 PolarHBondContact O-N 3.17Å; P79-L226 HydrophobicContact CB-CD1 3.92Å; P79-L226 WeakPolarHBondContact O-CD1 3.17Å |
| 80 | V | 98 | Very high | 96.1 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 17% | 0.17 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.2 | -51.7 | 178.3 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | D78 R82 I83 E84 L226 I259 R260 | D78-V80 PolarHBondContact O-N 2.87Å; D78-V80 VanDerWaalsContact O-N 3.16Å; D78-V80 WeakPolarHBondContact OD1-CB 3.47Å; D78-V80 PolarHBondContact OD1-N 3.3Å; V80-R82 PolarHBondContact O-N 2.93Å; V80-I83 VanDerWaalsContact O-CG2 3.29Å; V80-I83 WeakPolarHBondContact O-CG2 3.24Å; V80-I83 PolarHBondContact O-N 3.37Å; V80-E84 WeakPolarHBondContact O-CG 3.42Å; V80-E84 PolarHBondContact O-N 2.81Å; V80-L226 HydrophobicContact CG2-CD1 3.88Å; V80-I259 HydrophobicContact CG1-CG2 4.06Å; V80-I259 HydrophobicContact CG2-CD1 4.23Å; V80-I259 HydrophobicContact CG2-CG2 4.17Å; V80-R260 HydrophobicContact CG1-CG 3.67Å |
| 81 | K | 97.8 | Very high | 96.2 | Very high | 105 Ų | 105 | 35.7 Ų | 35.7 | 46% | 0.457 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.8 | -35.1 | 175.1 | -66.4 | -179.8 | -172.8 | 175.5 | 0 | 111.7 | E76 D78 E84 K85 | E76-K81 HydrophobicContact CG-CB 3.83Å; D78-K81 HydrophobicContact CB-CB 4.08Å; D78-K81 HydrophobicContact CB-CD 4.04Å; D78-K81 HydrophobicContact CB-CG 4.09Å; D78-K81 PolarHBondContact O-N 2.81Å; K81-E84 WeakPolarHBondContact O-CB 3.45Å; K81-E84 PolarHBondContact O-N 3.05Å; K81-K85 WeakPolarHBondContact O-CG 3.22Å; K81-K85 PolarHBondContact O-N 2.91Å |
| 82 | R | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.2 | -49.2 | 177.7 | -161.3 | 176.5 | -42 | 158.2 | 5.1 | 111.2 | I73 E76 E77 D78 V80 E84 K85 V86 L172 D193 Y195 | I73-R82 HydrophobicContact CG2-CG 3.88Å; I73-R82 WeakPolarHBondContact O-CD 3.19Å; E76-R82 HydrophobicContact CB-CB 4.17Å; E76-R82 HydrophobicContact CB-CG 4.19Å; E76-R82 HydrophobicContact CG-CB 3.82Å; E76-R82 HydrophobicContact CG-CG 4.4Å; E76-R82 PolarHBondContact O-NE 2.85Å; E76-R82 PolarHBondContact O-NH2 2.92Å; E77-R82 PolarHBondContact O-NH2 3.25Å; D78-R82 VanDerWaalsContact O-CB 3.3Å; D78-R82 WeakPolarHBondContact O-CB 3.3Å; D78-R82 PolarHBondContact O-N 3.48Å; V80-R82 PolarHBondContact O-N 2.93Å; R82-E84 VanDerWaalsContact C-N 3.31Å; R82-E84 PolarHBondContact O-N 2.89Å; R82-K85 PolarHBondContact O-N 2.85Å; R82-V86 WeakPolarHBondContact O-CG2 3.39Å; R82-V86 PolarHBondContact O-N 2.75Å; R82-L172 VanDerWaalsContact CD-CD1 3.46Å; R82-L172 HydrophobicContact CG-CD1 4.46Å; R82-D193 IonicContact CZ-OD2 3.3Å; R82-D193 IonicContact NH1-OD2 3.56Å; R82-D193 PolarHBondContact NH1-OD2 3.34Å; R82-Y195 VanDerWaalsContact CD-OH 3.26Å; R82-Y195 WeakPolarHBondContact CD-OH 3.24Å; R82-Y195 WeakPolarHBondContact CG-OH 3.38Å |
| 83 | I | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.5 | -26.7 | 178.3 | -161.8 | 171.9 | 0 | 0 | 0 | 112.7 | P79 V80 V86 A87 Y195 I219 L226 C228 I251 | P79-I83 WeakPolarHBondContact O-CG2 3.31Å; P79-I83 PolarHBondContact O-N 3.17Å; V80-I83 VanDerWaalsContact O-CG2 3.29Å; V80-I83 WeakPolarHBondContact O-CG2 3.24Å; V80-I83 PolarHBondContact O-N 3.37Å; I83-V86 PolarHBondContact O-N 3.43Å; I83-A87 WeakPolarHBondContact O-CB 3.22Å; I83-A87 PolarHBondContact O-N 2.81Å; I83-Y195 HydrophobicContact CB-CE1 4.01Å; I83-Y195 HydrophobicContact CD1-CD1 4.41Å; I83-Y195 HydrophobicContact CD1-CE1 4.3Å; I83-Y195 HydrophobicContact CG1-CD1 4.19Å; I83-Y195 HydrophobicContact CG1-CE1 4Å; I83-I219 HydrophobicContact CD1-CG2 4.33Å; I83-I219 HydrophobicContact CG1-CG2 4.17Å; I83-L226 HydrophobicContact CD1-CB 4.02Å; I83-L226 HydrophobicContact CG2-CB 4.43Å; I83-L226 HydrophobicContact CG2-CD1 4.09Å; I83-C228 HydrophobicContact CD1-CB 4.17Å; I83-C228 HydrophobicContact CG1-CB 4.19Å; I83-I251 HydrophobicContact CG2-CD1 3.68Å; I83-I251 HydrophobicContact CG2-CG1 4.03Å; I83-I251 HydrophobicContact CG2-CG2 4.02Å |
| 84 | E | 98.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 167.9 | -72.5 | 179.6 | 140.7 | 0 | 0 | 111.3 | V80 K81 R82 V86 A87 A88 I251 R260 S272 L329 | V80-E84 WeakPolarHBondContact O-CG 3.42Å; V80-E84 PolarHBondContact O-N 2.81Å; K81-E84 WeakPolarHBondContact O-CB 3.45Å; K81-E84 PolarHBondContact O-N 3.05Å; R82-E84 VanDerWaalsContact C-N 3.31Å; R82-E84 PolarHBondContact O-N 2.89Å; E84-V86 PolarHBondContact O-N 3.04Å; E84-A87 WeakPolarHBondContact O-CB 3.18Å; E84-A87 PolarHBondContact O-N 3.07Å; E84-A88 PolarHBondContact O-N 3.27Å; E84-I251 HydrophobicContact CB-CD1 4.34Å; E84-I251 HydrophobicContact CG-CD1 3.29Å; E84-R260 WeakPolarHBondContact OE1-CG 3.49Å; E84-R260 IonicContact OE1-CZ 2.75Å; E84-R260 IonicContact OE1-NE 3.53Å; E84-R260 PolarHBondContact OE1-NE 3.38Å; E84-R260 IonicContact OE1-NH2 3Å; E84-S272 VanDerWaalsContact CD-OG 3.23Å; E84-S272 WeakPolarHBondContact OE1-CB 3.47Å; E84-S272 PolarHBondContact OE1-OG 2.84Å; E84-L329 HydrophobicContact CB-CD1 3.9Å; E84-L329 HydrophobicContact CB-CD2 4.01Å; E84-L329 HydrophobicContact CG-CD1 4.49Å |
| 85 | K | 98.2 | Very high | 96.1 | Very high | 50 Ų | 50 | 30.6 Ų | 30.6 | 22% | 0.217 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.8 | -68.2 | 168.8 | 168.8 | 174.8 | 0 | 112.4 | S72 I73 E76 K81 R82 A87 A88 F89 | S72-K85 WeakPolarHBondContact O-CD 3.34Å; S72-K85 PolarHBondContact O-NZ 2.94Å; I73-K85 HydrophobicContact CD1-CB 4.17Å; I73-K85 HydrophobicContact CG1-CB 3.45Å; I73-K85 VanDerWaalsContact CG1-CB 3.45Å; I73-K85 HydrophobicContact CG1-CD 4.45Å; E76-K85 HydrophobicContact CB-CD 4.29Å; E76-K85 HydrophobicContact CG-CD 4.43Å; E76-K85 IonicContact OE2-NZ 2.72Å; E76-K85 PolarHBondContact OE2-NZ 2.86Å; K81-K85 WeakPolarHBondContact O-CG 3.22Å; K81-K85 PolarHBondContact O-N 2.91Å; R82-K85 PolarHBondContact O-N 2.85Å; K85-A87 VanDerWaalsContact C-N 3.31Å; K85-A87 PolarHBondContact O-N 2.96Å; K85-A88 VanDerWaalsContact O-CB 3.29Å; K85-A88 WeakPolarHBondContact O-CB 3.35Å; K85-A88 PolarHBondContact O-N 3.23Å; K85-F89 PolarHBondContact O-N 3.33Å |
| 86 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 111 | I73 R82 I83 E84 A88 F89 A90 L170 Y195 W197 I219 | I73-V86 HydrophobicContact CD1-CG2 4.03Å; I73-V86 HydrophobicContact CG1-CG2 4.31Å; I73-V86 HydrophobicContact CG2-CG2 3.89Å; R82-V86 WeakPolarHBondContact O-CG2 3.39Å; R82-V86 PolarHBondContact O-N 2.75Å; I83-V86 PolarHBondContact O-N 3.43Å; E84-V86 PolarHBondContact O-N 3.04Å; V86-A88 VanDerWaalsContact C-N 3.33Å; V86-A88 PolarHBondContact O-N 2.85Å; V86-F89 PolarHBondContact O-N 3.23Å; V86-A90 WeakPolarHBondContact O-CB 3.34Å; V86-A90 PolarHBondContact O-N 3.17Å; V86-L170 HydrophobicContact CG1-CD2 4.43Å; V86-L170 HydrophobicContact CG2-CD2 4Å; V86-Y195 HydrophobicContact CG1-CD1 4.31Å; V86-Y195 HydrophobicContact CG1-CG 4.11Å; V86-Y195 HydrophobicContact CG2-CD1 4.16Å; V86-Y195 HydrophobicContact CG2-CD2 3.94Å; V86-Y195 HydrophobicContact CG2-CE1 4.26Å; V86-Y195 HydrophobicContact CG2-CE2 4.06Å; V86-Y195 HydrophobicContact CG2-CG 3.99Å; V86-W197 HydrophobicContact CG1-CZ3 4.2Å; V86-I219 HydrophobicContact CG1-CG2 3.77Å |
| 87 | A | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I83 E84 K85 A90 V91 I219 L230 L262 L270 | I83-A87 WeakPolarHBondContact O-CB 3.22Å; I83-A87 PolarHBondContact O-N 2.81Å; E84-A87 WeakPolarHBondContact O-CB 3.18Å; E84-A87 PolarHBondContact O-N 3.07Å; K85-A87 VanDerWaalsContact C-N 3.31Å; K85-A87 PolarHBondContact O-N 2.96Å; A87-A90 PolarHBondContact O-N 3.39Å; A87-V91 WeakPolarHBondContact O-CB 3.39Å; A87-V91 WeakPolarHBondContact O-CG2 3.17Å; A87-V91 PolarHBondContact O-N 3.44Å; A87-I219 HydrophobicContact CB-CD1 3.6Å; A87-L230 HydrophobicContact CB-CD1 4.43Å; A87-L262 HydrophobicContact CB-CD2 3.79Å; A87-L270 HydrophobicContact CB-CD2 4.19Å |
| 88 | A | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L69 E84 K85 V86 V91 S92 L270 L329 W330 | L69-A88 HydrophobicContact CD1-CB 4.24Å; E84-A88 PolarHBondContact O-N 3.27Å; K85-A88 VanDerWaalsContact O-CB 3.29Å; K85-A88 WeakPolarHBondContact O-CB 3.35Å; K85-A88 PolarHBondContact O-N 3.23Å; V86-A88 VanDerWaalsContact C-N 3.33Å; V86-A88 PolarHBondContact O-N 2.85Å; A88-V91 PolarHBondContact O-N 2.83Å; A88-S92 VanDerWaalsContact O-CB 3.22Å; A88-S92 WeakPolarHBondContact O-CB 3.43Å; A88-S92 PolarHBondContact O-N 3.01Å; A88-S92 PolarHBondContact O-OG 2.82Å; A88-L270 HydrophobicContact CB-CD2 4.35Å; A88-L329 HydrophobicContact CB-CB 3.71Å; A88-W330 HydrophobicContact CB-CB 3.86Å |
| 89 | F | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | 176.4 | 177.1 | -107.6 | 0 | 0 | 0 | 112 | Y63 M64 L69 L70 I73 K85 V86 V91 S92 A93 F145 W197 | Y63-F89 VanDerWaalsContact O-CE2 3.28Å; Y63-F89 WeakPolarHBondContact O-CE2 3.47Å; Y63-F89 WeakPolarHBondContact O-CZ 3.39Å; M64-F89 HydrophobicContact SD-CZ 4.16Å; L69-F89 HydrophobicContact CB-CB 4.39Å; L69-F89 HydrophobicContact CD1-CB 4.25Å; L70-F89 HydrophobicContact CD1-CE2 3.88Å; L70-F89 HydrophobicContact CD1-CZ 3.97Å; L70-F89 HydrophobicContact CD2-CD1 3.96Å; L70-F89 HydrophobicContact CD2-CD2 3.99Å; L70-F89 HydrophobicContact CD2-CE1 3.94Å; L70-F89 HydrophobicContact CD2-CE2 3.98Å; L70-F89 HydrophobicContact CD2-CG 3.98Å; L70-F89 HydrophobicContact CD2-CZ 3.96Å; L70-F89 HydrophobicContact CG-CD2 4.05Å; L70-F89 HydrophobicContact CG-CE2 3.88Å; L70-F89 HydrophobicContact CG-CZ 4.22Å; I73-F89 HydrophobicContact CD1-CB 4.2Å; K85-F89 PolarHBondContact O-N 3.33Å; V86-F89 PolarHBondContact O-N 3.23Å; F89-V91 PolarHBondContact O-N 2.95Å; F89-S92 PolarHBondContact O-N 3.36Å; F89-S92 PolarHBondContact O-OG 2.78Å; F89-A93 PolarHBondContact O-N 2.81Å; F89-F145 HydrophobicContact CE1-CD1 4.34Å; F89-F145 HydrophobicContact CE1-CD2 4.06Å; F89-F145 HydrophobicContact CE1-CE1 4.11Å; F89-F145 AromaticContact CE1-CE2 3.83Å; F89-F145 HydrophobicContact CE1-CE2 3.83Å; F89-F145 HydrophobicContact CE1-CG 4.31Å; F89-F145 AromaticContact CE1-CZ 3.84Å; F89-F145 HydrophobicContact CE1-CZ 3.84Å; F89-F145 HydrophobicContact CZ-CD1 4.12Å; F89-F145 AromaticContact CZ-CE1 3.96Å; F89-F145 HydrophobicContact CZ-CE1 3.96Å; F89-F145 HydrophobicContact CZ-CE2 4.48Å; F89-F145 HydrophobicContact CZ-CG 4.43Å; F89-F145 HydrophobicContact CZ-CZ 4.15Å; F89-W197 AromaticContact CD1-CH2 3.95Å; F89-W197 HydrophobicContact CD1-CH2 3.95Å; F89-W197 HydrophobicContact CD1-CZ2 4.18Å; F89-W197 AromaticContact CE1-CH2 3.99Å; F89-W197 HydrophobicContact CE1-CH2 3.99Å; F89-W197 HydrophobicContact CE1-CZ2 4.18Å |
| 90 | A | 98 | Very high | 93.6 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V86 A87 W197 M217 I219 | V86-A90 WeakPolarHBondContact O-CB 3.34Å; V86-A90 PolarHBondContact O-N 3.17Å; A87-A90 PolarHBondContact O-N 3.39Å; A90-W197 HydrophobicContact CB-CD2 4.13Å; A90-W197 HydrophobicContact CB-CG 4.38Å; A90-W197 HydrophobicContact CB-CZ2 3.95Å; A90-M217 HydrophobicContact CB-SD 3.87Å; A90-I219 HydrophobicContact CB-CD1 4.03Å |
| 91 | V | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.5 | -42.1 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | A87 A88 F89 A93 L94 L230 F232 I247 W266 L270 W330 | A87-V91 WeakPolarHBondContact O-CB 3.39Å; A87-V91 WeakPolarHBondContact O-CG2 3.17Å; A87-V91 PolarHBondContact O-N 3.44Å; A88-V91 PolarHBondContact O-N 2.83Å; F89-V91 PolarHBondContact O-N 2.95Å; V91-A93 PolarHBondContact O-N 3.2Å; V91-L94 WeakPolarHBondContact O-CB 3.42Å; V91-L94 PolarHBondContact O-N 3.4Å; V91-L230 HydrophobicContact CG2-CD1 3.53Å; V91-F232 HydrophobicContact CG2-CZ 4.48Å; V91-I247 HydrophobicContact CB-CD1 4.42Å; V91-I247 HydrophobicContact CG1-CD1 3.5Å; V91-I247 VanDerWaalsContact CG1-CD1 3.5Å; V91-I247 HydrophobicContact CG2-CD1 3.96Å; V91-W266 HydrophobicContact CG1-CB 4.39Å; V91-L270 HydrophobicContact CB-CD2 4.25Å; V91-L270 HydrophobicContact CG2-CD1 4.47Å; V91-L270 HydrophobicContact CG2-CD2 4.03Å; V91-W330 HydrophobicContact CG1-CE3 4.15Å; V91-W330 HydrophobicContact CG1-CZ3 3.91Å |
| 92 | S | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.8 | -37.8 | -178 | 76.2 | 0 | 0 | 0 | 0 | 112.5 | Y66 A88 F89 L94 S95 W330 | Y66-S92 VanDerWaalsContact CD2-CB 3.41Å; Y66-S92 WeakPolarHBondContact CD2-OG 3.27Å; A88-S92 VanDerWaalsContact O-CB 3.22Å; A88-S92 WeakPolarHBondContact O-CB 3.43Å; A88-S92 PolarHBondContact O-N 3.01Å; A88-S92 PolarHBondContact O-OG 2.82Å; F89-S92 PolarHBondContact O-N 3.36Å; F89-S92 PolarHBondContact O-OG 2.78Å; S92-L94 PolarHBondContact O-N 2.87Å; S92-S95 WeakPolarHBondContact O-CB 3.5Å; S92-S95 PolarHBondContact O-N 3.35Å; S92-S95 PolarHBondContact O-OG 2.71Å; S92-W330 VanDerWaalsContact CB-CE2 3.41Å |
| 93 | A | 93.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.5 | -26 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y63 F89 V91 S95 | Y63-A93 HydrophobicContact CD1-CB 3.4Å; Y63-A93 VanDerWaalsContact CD1-CB 3.4Å; Y63-A93 HydrophobicContact CE1-CB 3.9Å; Y63-A93 HydrophobicContact CG-CB 3.76Å; F89-A93 PolarHBondContact O-N 2.81Å; V91-A93 PolarHBondContact O-N 3.2Å; A93-S95 VanDerWaalsContact C-N 3.3Å |
| 94 | L | 91.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -72.5 | -26.7 | 175.4 | -58 | 179.3 | 0 | 0 | 0 | 112.1 | V91 S92 N199 V200 M217 F232 W266 | V91-L94 WeakPolarHBondContact O-CB 3.42Å; V91-L94 PolarHBondContact O-N 3.4Å; S92-L94 PolarHBondContact O-N 2.87Å; L94-N199 HydrophobicContact CD2-CB 4.49Å; L94-V200 HydrophobicContact CD1-CG2 4.05Å; L94-M217 HydrophobicContact CD1-CE 3.81Å; L94-M217 HydrophobicContact CG-CE 4.38Å; L94-F232 HydrophobicContact CD1-CE1 3.45Å; L94-F232 VanDerWaalsContact CD1-CE1 3.45Å; L94-F232 HydrophobicContact CD1-CE2 4.5Å; L94-F232 HydrophobicContact CD1-CZ 3.42Å; L94-F232 VanDerWaalsContact CD1-CZ 3.42Å; L94-W266 HydrophobicContact CB-CE3 4.42Å |
| 95 | S | 89.2 | Confident | 91.3 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -77.4 | -27 | -177 | 82.3 | 0 | 0 | 0 | 0 | 113.3 | S92 A93 N97 H98 W266 W330 | S92-S95 WeakPolarHBondContact O-CB 3.5Å; S92-S95 PolarHBondContact O-N 3.35Å; S92-S95 PolarHBondContact O-OG 2.71Å; A93-S95 VanDerWaalsContact C-N 3.3Å; S95-N97 PolarHBondContact O-N 3.03Å; S95-H98 WeakPolarHBondContact O-CB 3.23Å; S95-H98 PolarHBondContact O-N 2.74Å; S95-W266 VanDerWaalsContact CB-O 3.28Å; S95-W266 WeakPolarHBondContact CB-O 3.48Å; S95-W330 VanDerWaalsContact CB-CH2 3.44Å; S95-W330 WeakPolarHBondContact OG-CZ2 3.35Å |
| 96 | S | 86.1 | Confident | 91 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.4 | -172.9 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | E62 Q65 N346 | E62-S96 PolarHBondContact O-OG 2.95Å; Q65-S96 PolarHBondContact OE1-OG 2.88Å; S96-N346 PolarHBondContact O-ND2 3.43Å |
| 97 | N | 81.9 | Confident | 90.9 | Very high | 48 Ų | 48 | 22.6 Ų | 22.6 | 26% | 0.257 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 0.5 | -176 | -56.1 | -25.9 | 0 | 0 | 0 | 112.8 | R59 E62 S95 G99 R100 | R59-N97 WeakPolarHBondContact CD-OD1 3.48Å; R59-N97 PolarHBondContact NH1-OD1 2.79Å; E62-N97 PolarHBondContact OE2-OD1 3.43Å; S95-N97 PolarHBondContact O-N 3.03Å; N97-G99 PolarHBondContact O-N 3.11Å; N97-R100 WeakPolarHBondContact O-CB 3.49Å; N97-R100 PolarHBondContact O-N 2.93Å; N97-R100 VanDerWaalsContact O-N 3.1Å |
| 98 | H | 84.7 | Confident | 90.7 | Very high | 40 Ų | 40 | 22.8 Ų | 22.8 | 19% | 0.185 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 131.7 | -177.2 | -177 | 67.9 | 0 | 0 | 0 | 111.7 | S95 R100 W266 T267 K335 | S95-H98 WeakPolarHBondContact O-CB 3.23Å; S95-H98 PolarHBondContact O-N 2.74Å; H98-R100 PolarHBondContact O-N 2.79Å; H98-W266 HydrophobicContact CB-CZ3 4.41Å; H98-W266 AromaticContact ND1-CH2 3.75Å; H98-T267 HydrophobicContact CB-CG2 4.39Å; H98-T267 VanDerWaalsContact ND1-CG2 3.31Å; H98-T267 WeakPolarHBondContact ND1-CG2 3.35Å; H98-K335 PolarHBondContact O-NZ 3Å |
| 99 | G | 80.4 | Confident | 90.6 | Very high | 44 Ų | 44 | 23.5 Ų | 23.5 | 45% | 0.454 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -7.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N97 L101 | N97-G99 PolarHBondContact O-N 3.11Å; G99-L101 PolarHBondContact O-N 2.93Å |
| 100 | R | 85.9 | Confident | 90.6 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 6% | 0.06 | 13% | 0.133 | C | C | . | . | trans | -91.4 | 93.5 | 175.5 | -69.6 | 170.1 | 56.3 | -170.1 | 1.1 | 109.9 | E52 L54 E62 N97 H98 R102 G344 F345 | E52-R100 IonicContact OE1-CZ 2.71Å; E52-R100 IonicContact OE1-NH2 3.16Å; E52-R100 PolarHBondContact OE1-NH2 3.5Å; E52-R100 IonicContact OE2-CZ 3.83Å; E52-R100 VanDerWaalsContact OE2-CZ 3.27Å; E52-R100 IonicContact OE2-NE 3.34Å; E52-R100 PolarHBondContact OE2-NE 3.04Å; E52-R100 IonicContact OE2-NH2 3.09Å; E52-R100 PolarHBondContact OE2-NH2 3.01Å; L54-R100 VanDerWaalsContact CD1-NH2 3.27Å; E62-R100 IonicContact OE1-CZ 2.64Å; E62-R100 IonicContact OE1-NH1 3.29Å; E62-R100 PolarHBondContact OE1-NH1 3.03Å; E62-R100 IonicContact OE1-NH2 2.76Å; E62-R100 PolarHBondContact OE1-NH2 3.35Å; E62-R100 VanDerWaalsContact OE1-NH2 3.09Å; E62-R100 IonicContact OE2-CZ 3Å; E62-R100 IonicContact OE2-NH1 3.97Å; E62-R100 PolarHBondContact OE2-NH1 2.85Å; N97-R100 WeakPolarHBondContact O-CB 3.49Å; N97-R100 PolarHBondContact O-N 2.93Å; N97-R100 VanDerWaalsContact O-N 3.1Å; H98-R100 PolarHBondContact O-N 2.79Å; R100-R102 VanDerWaalsContact C-N 3.29Å; R100-G344 WeakPolarHBondContact CG-O 3.49Å; R100-F345 VanDerWaalsContact CZ-CD1 3.46Å; R100-F345 VanDerWaalsContact CZ-CE1 3.49Å; R100-F345 VanDerWaalsContact NH2-CE1 3.31Å | ||
| 101 | L | 78.3 | Confident | 90.6 | Very high | 77 Ų | 77 | 23.6 Ų | 23.6 | 40% | 0.403 | 13% | 0.133 | S | C | . | . | trans | -79.3 | -10.6 | 179.6 | -60.6 | 179 | 0 | 0 | 0 | 113.9 | G99 P211 | G99-L101 PolarHBondContact O-N 2.93Å; L101-P211 HydrophobicContact CD2-CG 3.75Å | ||
| 102 | R | 86.7 | Confident | 90.7 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -78.8 | 140.4 | 179.2 | -68.4 | 171.7 | 177.3 | -90.7 | 3.6 | 109.9 | N21 R24 V49 F50 N51 E52 R59 R100 | N21-R102 PolarHBondContact OD1-NH2 2.93Å; R24-R102 VanDerWaalsContact CB-NH2 3.27Å; V49-R102 PolarHBondContact O-NH1 3.13Å; F50-R102 VanDerWaalsContact O-CA 3.3Å; F50-R102 WeakPolarHBondContact O-CA 2.94Å; F50-R102 WeakPolarHBondContact O-CB 3.44Å; N51-R102 WeakPolarHBondContact O-CD 3.19Å; N51-R102 PolarHBondContact O-NH1 3.16Å; E52-R102 HydrophobicContact CB-CB 3.88Å; E52-R102 HydrophobicContact CG-CB 4.44Å; R59-R102 PolarHBondContact NH2-O 3.32Å; R100-R102 VanDerWaalsContact C-N 3.29Å |
| 103 | K | 87.9 | Confident | 90.7 | Very high | 62 Ų | 62 | 23.7 Ų | 23.7 | 27% | 0.27 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 145.7 | 176.4 | 68.8 | 169.1 | -169 | 160.7 | 0 | 110.7 | I46 F50 N51 E52 | I46-K103 HydrophobicContact CD1-CD 4.08Å; F50-K103 PolarHBondContact O-N 2.97Å; N51-K103 CarbonylContact C-O 3.58Å; N51-K103 WeakPolarHBondContact CA-O 3.46Å; N51-K103 VanDerWaalsContact OD1-CE 3.24Å; N51-K103 WeakPolarHBondContact OD1-CE 3.34Å; E52-K103 PolarHBondContact N-O 3.39Å |
| 104 | P | 93.8 | Very high | 90.8 | Very high | 21 Ų | 21 | 23.6 Ų | 23.6 | 14% | 0.136 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 165.7 | 167.9 | 29.6 | -33 | 0 | 0 | 0 | 111 | L54 F56 R59 | L54-P104 CarbonylContact O-C 3.6Å; L54-P104 WeakPolarHBondContact O-CA 3.34Å; L54-P104 WeakPolarHBondContact O-CB 3.47Å; F56-P104 HydrophobicContact CB-CB 4.39Å; F56-P104 HydrophobicContact CB-CG 4.1Å; F56-P104 HydrophobicContact CD2-CG 3.91Å; R59-P104 HydrophobicContact CB-CB 4.4Å; R59-P104 HydrophobicContact CB-CG 4.37Å; R59-P104 HydrophobicContact CG-CG 4.46Å |
| 105 | F | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 139.9 | 168.5 | -74.1 | -106.7 | 0 | 0 | 0 | 110.2 | I48 N51 E52 L54 F56 P107 D373 I374 L377 K389 | I48-F105 HydrophobicContact CD1-CE1 3.91Å; I48-F105 HydrophobicContact CD1-CZ 3.7Å; I48-F105 HydrophobicContact CG1-CE1 4.23Å; I48-F105 HydrophobicContact CG1-CZ 3.81Å; N51-F105 HydrophobicContact CB-CD2 4.12Å; N51-F105 HydrophobicContact CB-CE2 3.67Å; N51-F105 HydrophobicContact CB-CZ 4.04Å; N51-F105 WeakPolarHBondContact ND2-CD2 3.49Å; N51-F105 WeakPolarHBondContact ND2-CG 3.36Å; E52-F105 VanDerWaalsContact O-CD2 3.27Å; E52-F105 WeakPolarHBondContact O-CD2 3.27Å; E52-F105 WeakPolarHBondContact O-CE2 3.27Å; L54-F105 PolarHBondContact O-N 2.85Å; F56-F105 PolarHBondContact N-O 2.9Å; F105-P107 WeakPolarHBondContact O-CD 3.35Å; F105-D373 WeakPolarHBondContact CD1-OD2 3.42Å; F105-D373 HydrophobicContact CE1-CB 4.22Å; F105-D373 WeakPolarHBondContact CE1-OD2 3.24Å; F105-I374 HydrophobicContact CB-CD1 3.96Å; F105-I374 HydrophobicContact CB-CG1 4.16Å; F105-I374 HydrophobicContact CD1-CG1 4.09Å; F105-I374 HydrophobicContact CD2-CD1 4.23Å; F105-I374 HydrophobicContact CD2-CG1 3.75Å; F105-I374 HydrophobicContact CE1-CG1 4.39Å; F105-I374 HydrophobicContact CE2-CG1 4.08Å; F105-I374 HydrophobicContact CG-CD1 4.1Å; F105-I374 HydrophobicContact CG-CG1 3.74Å; F105-I374 HydrophobicContact CZ-CG1 4.38Å; F105-L377 HydrophobicContact CE2-CD2 3.64Å; F105-L377 HydrophobicContact CZ-CB 4.39Å; F105-L377 HydrophobicContact CZ-CD2 3.84Å; F105-K389 HydrophobicContact CE1-CD 4.14Å; F105-K389 HydrophobicContact CE1-CG 4.41Å |
| 106 | N | 92.3 | Very high | 91 | Very high | 115 Ų | 115 | 24.5 Ų | 24.5 | 62% | 0.615 | 14% | 0.137 | S | C | * | . | P | Polyproline II helix | trans | -67.1 | 125.8 | 170.9 | -72.4 | -11.1 | 0 | 0 | 0 | 108.3 | R371 | N106-R371 PolarHBondContact O-NH1 2.92Š|
| 107 | P | 96 | Very high | 91.2 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 144.1 | 179.2 | -19.4 | 32.8 | 0 | 0 | 0 | 111 | F56 L57 F105 E111 Q126 | F56-P107 HydrophobicContact CB-CG 3.68Å; L57-P107 HydrophobicContact CD1-CB 4.14Å; L57-P107 HydrophobicContact CD2-CB 4.2Å; L57-P107 HydrophobicContact CD2-CG 3.94Å; L57-P107 HydrophobicContact CG-CB 3.81Å; L57-P107 HydrophobicContact CG-CG 3.72Å; F105-P107 WeakPolarHBondContact O-CD 3.35Å; P107-E111 VanDerWaalsContact CA-OE2 3.3Å; P107-E111 WeakPolarHBondContact CA-OE2 3.43Å; P107-E111 HydrophobicContact CB-CB 4.25Å; P107-Q126 HydrophobicContact CB-CB 3.83Å; P107-Q126 HydrophobicContact CB-CG 3.93Å; P107-Q126 VanDerWaalsContact CB-OE1 3.28Å; P107-Q126 VanDerWaalsContact CG-OE1 3.25Å |
| 108 | I | 95.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 145.5 | 171.3 | -50.4 | -156 | 0 | 0 | 0 | 108.7 | G110 E111 Q126 L392 Q396 L445 F446 | I108-G110 PolarHBondContact O-N 2.87Å; I108-G110 VanDerWaalsContact O-N 3.15Å; I108-E111 HydrophobicContact CB-CB 4.09Å; I108-E111 WeakPolarHBondContact CG1-OE2 3.37Å; I108-E111 PolarHBondContact N-OE2 2.8Å; I108-E111 WeakPolarHBondContact O-CB 3.26Å; I108-E111 PolarHBondContact O-N 3.43Å; I108-Q126 WeakPolarHBondContact O-CB 3.21Å; I108-Q126 WeakPolarHBondContact O-CG 3.22Å; I108-L392 HydrophobicContact CD1-CB 4.29Å; I108-L392 HydrophobicContact CD1-CD1 4.45Å; I108-L392 HydrophobicContact CD1-CD2 4.14Å; I108-Q396 HydrophobicContact CD1-CG 4.44Å; I108-Q396 HydrophobicContact CG2-CG 3.66Å; I108-L445 HydrophobicContact CG2-CB 4.4Å; I108-L445 HydrophobicContact CG2-CD1 4.39Å; I108-L445 HydrophobicContact CG2-CD2 4.06Å; I108-F446 HydrophobicContact CD1-CD1 4.05Å; I108-F446 HydrophobicContact CD1-CE1 4.05Å; I108-F446 HydrophobicContact CG1-CE1 4.5Å |
| 109 | L | 96 | Very high | 91.6 | Very high | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 120.4 | 173 | -176.6 | 48.8 | 0 | 0 | 0 | 110.7 | Q126 H129 W410 L445 | L109-Q126 VanDerWaalsContact CD1-O 3.31Å; L109-Q126 WeakPolarHBondContact CD1-O 3.46Å; L109-H129 HydrophobicContact CB-CB 4.23Å; L109-H129 HydrophobicContact CD2-CB 3.94Å; L109-W410 HydrophobicContact CD1-CD2 4.17Å; L109-W410 HydrophobicContact CD1-CG 4.01Å; L109-W410 HydrophobicContact CD1-CZ2 4.42Å; L109-W410 HydrophobicContact CD2-CB 4.13Å; L109-W410 HydrophobicContact CD2-CD2 4.02Å; L109-W410 HydrophobicContact CD2-CG 3.8Å; L109-W410 HydrophobicContact CG-CD2 3.75Å; L109-W410 HydrophobicContact CG-CE3 4.35Å; L109-W410 HydrophobicContact CG-CG 3.9Å; L109-W410 HydrophobicContact CG-CZ2 4.17Å; L109-L445 WeakPolarHBondContact O-CD2 3.43Å |
| 110 | G | 97.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -3.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | I108 T112 Q126 L445 | I108-G110 PolarHBondContact O-N 2.87Å; I108-G110 VanDerWaalsContact O-N 3.15Å; G110-T112 PolarHBondContact O-N 3.23Å; G110-Q126 PolarHBondContact N-O 2.77Å; G110-L445 WeakPolarHBondContact O-CD1 3.29Å |
| 111 | E | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -57.4 | 140.4 | 169.8 | -166.5 | -179.8 | 132.7 | 0 | 0 | 108.7 | S55 L57 P107 I108 E125 Q126 S368 R371 L445 F446 | S55-E111 WeakPolarHBondContact CB-OE1 3.47Å; S55-E111 PolarHBondContact OG-OE1 3.04Å; L57-E111 HydrophobicContact CD1-CB 4.06Å; L57-E111 HydrophobicContact CD1-CG 4.07Å; L57-E111 WeakPolarHBondContact CD1-O 3.5Å; P107-E111 VanDerWaalsContact CA-OE2 3.3Å; P107-E111 WeakPolarHBondContact CA-OE2 3.43Å; P107-E111 HydrophobicContact CB-CB 4.25Å; I108-E111 HydrophobicContact CB-CB 4.09Å; I108-E111 WeakPolarHBondContact CG1-OE2 3.37Å; I108-E111 PolarHBondContact N-OE2 2.8Å; I108-E111 WeakPolarHBondContact O-CB 3.26Å; I108-E111 PolarHBondContact O-N 3.43Å; E111-E125 WeakPolarHBondContact O-CA 3.43Å; E111-Q126 PolarHBondContact O-N 2.81Å; E111-S368 VanDerWaalsContact OE1-CB 3.31Å; E111-S368 WeakPolarHBondContact OE1-CB 3.33Å; E111-S368 PolarHBondContact OE1-OG 3.03Å; E111-R371 IonicContact OE2-NH1 3.79Å; E111-R371 PolarHBondContact OE2-NH1 3.31Å; E111-R371 VanDerWaalsContact OE2-NH1 3.11Å; E111-L445 HydrophobicContact CB-CD1 4.34Å; E111-L445 VanDerWaalsContact N-CD1 3.34Å; E111-F446 HydrophobicContact CG-CZ 4.37Å | ||
| 112 | T | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 160.1 | 179.8 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | G110 C124 E125 P364 T366 D367 S368 Y434 | G110-T112 PolarHBondContact O-N 3.23Å; T112-C124 WeakPolarHBondContact CA-O 3.24Å; T112-E125 HydrophobicContact CG2-CG 4.43Å; T112-P364 WeakPolarHBondContact OG1-CG 3.22Å; T112-T366 WeakPolarHBondContact CG2-OG1 3.2Å; T112-T366 PolarHBondContact N-O 3.43Å; T112-T366 VanDerWaalsContact OG1-C 3.26Å; T112-T366 PolarHBondContact OG1-O 2.96Å; T112-T366 PolarHBondContact OG1-OG1 3.43Å; T112-D367 CarbonylContact O-C 3.52Å; T112-D367 VanDerWaalsContact O-CA 3.22Å; T112-D367 WeakPolarHBondContact O-CA 3.46Å; T112-D367 PolarHBondContact OG1-N 2.91Å; T112-S368 PolarHBondContact O-N 3.04Å; T112-S368 PolarHBondContact O-OG 3.26Å; T112-Y434 HydrophobicContact CG2-CE2 4.23Å |
| 113 | Y | 97.9 | Very high | 94 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 139.8 | 164.2 | -179.8 | -110.6 | 0 | 0 | 0 | 109 | Q58 T61 L115 C123 C124 L352 R369 | Q58-Y113 HydrophobicContact CB-CE1 4.37Å; Q58-Y113 HydrophobicContact CG-CD1 4.06Å; Q58-Y113 HydrophobicContact CG-CD2 3.58Å; Q58-Y113 HydrophobicContact CG-CE1 4.03Å; Q58-Y113 HydrophobicContact CG-CE2 3.56Å; Q58-Y113 HydrophobicContact CG-CG 3.83Å; T61-Y113 HydrophobicContact CG2-CD1 3.53Å; T61-Y113 HydrophobicContact CG2-CE1 3.57Å; Y113-L115 HydrophobicContact CE1-CB 4Å; Y113-C123 CarbonylContact O-C 3.47Å; Y113-C123 WeakPolarHBondContact O-CA 3.18Å; Y113-C124 PolarHBondContact N-O 2.74Å; Y113-C124 VanDerWaalsContact N-O 3.09Å; Y113-C124 PolarHBondContact O-N 2.89Å; Y113-L352 HydrophobicContact CE1-CD2 4.5Å; Y113-L352 WeakPolarHBondContact OH-CA 3.29Å; Y113-L352 WeakPolarHBondContact OH-CD2 3.48Å; Y113-L352 PolarHBondContact OH-O 3.22Å; Y113-R369 HydrophobicContact CE2-CG 3.97Å |
| 114 | Q | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 143.4 | 168.5 | 66.1 | 179.9 | 67.8 | 0 | 0 | 112.3 | D116 V122 L363 D367 R369 Y434 | Q114-D116 PolarHBondContact NE2-OD2 3.31Å; Q114-V122 VanDerWaalsContact CA-O 3.24Å; Q114-V122 WeakPolarHBondContact CA-O 3.46Å; Q114-L363 HydrophobicContact CG-CD2 3.67Å; Q114-D367 PolarHBondContact N-OD2 3.44Å; Q114-R369 PolarHBondContact O-NH2 3.19Å; Q114-Y434 HydrophobicContact CB-CE1 3.96Å; Q114-Y434 WeakPolarHBondContact CB-OH 3.3Å; Q114-Y434 VanDerWaalsContact OE1-CE1 3.32Å; Q114-Y434 PolarHBondContact OE1-OH 3.21Å |
| 115 | L | 93.7 | Very high | 94.8 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 114.4 | 170.9 | -178.8 | 63.3 | 0 | 0 | 0 | 108.7 | Y113 K117 F120 R121 V122 F348 L352 | Y113-L115 HydrophobicContact CE1-CB 4Å; L115-K117 HydrophobicContact CG-CG 4.29Å; L115-F120 HydrophobicContact CD2-CE2 4.16Å; L115-F120 HydrophobicContact CD2-CZ 4.33Å; L115-R121 CarbonylContact O-C 3.56Å; L115-R121 VanDerWaalsContact O-CA 3.31Å; L115-R121 WeakPolarHBondContact O-CA 3.3Å; L115-V122 HydrophobicContact CB-CB 4.41Å; L115-V122 PolarHBondContact N-O 3.22Å; L115-V122 PolarHBondContact O-N 3.09Å; L115-F348 HydrophobicContact CD2-CE1 4.12Å; L115-F348 HydrophobicContact CD2-CE2 4.35Å; L115-F348 HydrophobicContact CD2-CZ 3.54Å; L115-L352 HydrophobicContact CD1-CD2 4.46Å; L115-L352 HydrophobicContact CD2-CD2 4.09Å |
| 116 | D | 90.6 | Very high | 94.9 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 11% | 0.112 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 117.2 | 174.5 | -64.6 | -64.7 | 0 | 0 | 0 | 108.6 | Q114 R121 T359 | Q114-D116 PolarHBondContact NE2-OD2 3.31Å; D116-R121 VanDerWaalsContact OD1-CB 3.22Å; D116-R121 WeakPolarHBondContact OD1-CB 3.29Å; D116-T359 HydrophobicContact CB-CG2 4.29Å |
| 117 | K | 89.3 | Confident | 95.2 | Very high | 67 Ų | 67 | 21.5 Ų | 21.5 | 29% | 0.291 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 159.7 | 171.2 | -68.2 | -64.8 | -170.3 | -176.4 | 0 | 108.8 | L115 E119 F120 | L115-K117 HydrophobicContact CG-CG 4.29Å; K117-E119 PolarHBondContact O-N 3.43Å; K117-F120 CarbonylContact C-O 3.55Å; K117-F120 WeakPolarHBondContact CA-O 3.38Å; K117-F120 HydrophobicContact CB-CD1 4.09Å; K117-F120 HydrophobicContact CB-CE1 3.83Å; K117-F120 HydrophobicContact CB-CE2 4.43Å; K117-F120 HydrophobicContact CB-CG 4.5Å; K117-F120 HydrophobicContact CB-CZ 4.02Å; K117-F120 HydrophobicContact CG-CE1 3.87Å; K117-F120 HydrophobicContact CG-CE2 4.18Å; K117-F120 HydrophobicContact CG-CZ 3.64Å; K117-F120 PolarHBondContact N-O 2.96Å; K117-F120 PolarHBondContact O-N 3.05Å |
| 118 | P | 87 | Confident | 95.1 | Very high | 114 Ų | 114 | 22.3 Ų | 22.3 | 74% | 0.74 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34.7 | 177.1 | -24.9 | 34.5 | 0 | 0 | 0 | 113.1 | ||
| 119 | E | 88.2 | Confident | 94.8 | Very high | 111 Ų | 111 | 24.7 Ų | 24.7 | 52% | 0.519 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -14.5 | -172.9 | -46.7 | 76 | -162.8 | 0 | 0 | 113.5 | K117 S140 | K117-E119 PolarHBondContact O-N 3.43Å; E119-S140 WeakPolarHBondContact O-CB 3.49Å; E119-S140 PolarHBondContact O-OG 2.68Å |
| 120 | F | 94 | Very high | 94.3 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.035 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 162.2 | -179.4 | 66.7 | -88.7 | 0 | 0 | 0 | 111.1 | M64 S67 L115 K117 V122 Q139 F143 F348 | M64-F120 HydrophobicContact CB-CD2 4.41Å; M64-F120 HydrophobicContact CB-CE1 4.25Å; M64-F120 HydrophobicContact CB-CE2 3.6Å; M64-F120 HydrophobicContact CB-CZ 3.51Å; M64-F120 HydrophobicContact CE-CB 4.27Å; M64-F120 HydrophobicContact CE-CD1 4.15Å; M64-F120 HydrophobicContact CE-CD2 3.76Å; M64-F120 HydrophobicContact CE-CE1 4.47Å; M64-F120 HydrophobicContact CE-CE2 4.11Å; M64-F120 HydrophobicContact CE-CG 3.78Å; M64-F120 HydrophobicContact CE-CZ 4.45Å; M64-F120 HydrophobicContact CG-CD2 4.36Å; M64-F120 HydrophobicContact CG-CE2 3.89Å; M64-F120 HydrophobicContact CG-CZ 4.3Å; S67-F120 VanDerWaalsContact CB-CE1 3.49Å; S67-F120 VanDerWaalsContact OG-CE1 3.25Å; S67-F120 WeakPolarHBondContact OG-CE1 3.46Å; L115-F120 HydrophobicContact CD2-CE2 4.16Å; L115-F120 HydrophobicContact CD2-CZ 4.33Å; K117-F120 CarbonylContact C-O 3.55Å; K117-F120 WeakPolarHBondContact CA-O 3.38Å; K117-F120 HydrophobicContact CB-CD1 4.09Å; K117-F120 HydrophobicContact CB-CE1 3.83Å; K117-F120 HydrophobicContact CB-CE2 4.43Å; K117-F120 HydrophobicContact CB-CG 4.5Å; K117-F120 HydrophobicContact CB-CZ 4.02Å; K117-F120 HydrophobicContact CG-CE1 3.87Å; K117-F120 HydrophobicContact CG-CE2 4.18Å; K117-F120 HydrophobicContact CG-CZ 3.64Å; K117-F120 PolarHBondContact N-O 2.96Å; K117-F120 PolarHBondContact O-N 3.05Å; F120-V122 HydrophobicContact CD2-CG2 3.52Å; F120-V122 HydrophobicContact CE2-CG2 3.5Å; F120-V122 VanDerWaalsContact CE2-CG2 3.5Å; F120-Q139 WeakPolarHBondContact CA-O 3.39Å; F120-F143 HydrophobicContact CB-CZ 4.04Å; F120-F348 HydrophobicContact CZ-CE2 4.32Å; F120-F348 HydrophobicContact CZ-CZ 4.43Å |
| 121 | R | 94.8 | Very high | 93.9 | Very high | 79 Ų | 79 | 32.2 Ų | 32.2 | 30% | 0.298 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.3 | 166.4 | 65.9 | -171.8 | -142.6 | -169.1 | -8.5 | 112.1 | L115 D116 A138 Q139 W435 | L115-R121 CarbonylContact O-C 3.56Å; L115-R121 VanDerWaalsContact O-CA 3.31Å; L115-R121 WeakPolarHBondContact O-CA 3.3Å; D116-R121 VanDerWaalsContact OD1-CB 3.22Å; D116-R121 WeakPolarHBondContact OD1-CB 3.29Å; R121-A138 CarbonylContact O-C 3.56Å; R121-A138 VanDerWaalsContact O-CA 3.23Å; R121-A138 WeakPolarHBondContact O-CA 3.49Å; R121-Q139 HydrophobicContact CG-CG 3.92Å; R121-Q139 PolarHBondContact N-O 3.26Å; R121-Q139 PolarHBondContact O-N 3Å; R121-W435 HydrophobicContact CB-CH2 4.05Å; R121-W435 HydrophobicContact CB-CZ2 4.35Å; R121-W435 HydrophobicContact CG-CH2 3.97Å; R121-W435 HydrophobicContact CG-CZ2 3.83Å; R121-W435 VanDerWaalsContact CZ-CG 3.46Å; R121-W435 VanDerWaalsContact NE-CD2 3.32Å |
| 122 | V | 96.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.1 | -178.5 | -164.9 | 0 | 0 | 0 | 0 | 109.5 | T61 M64 Q114 L115 F120 H137 A138 | T61-V122 HydrophobicContact CG2-CB 4.39Å; T61-V122 HydrophobicContact CG2-CG1 4.06Å; M64-V122 HydrophobicContact CG-CG2 3.98Å; Q114-V122 VanDerWaalsContact CA-O 3.24Å; Q114-V122 WeakPolarHBondContact CA-O 3.46Å; L115-V122 HydrophobicContact CB-CB 4.41Å; L115-V122 PolarHBondContact N-O 3.22Å; L115-V122 PolarHBondContact O-N 3.09Å; F120-V122 HydrophobicContact CD2-CG2 3.52Å; F120-V122 HydrophobicContact CE2-CG2 3.5Å; F120-V122 VanDerWaalsContact CE2-CG2 3.5Å; V122-H137 WeakPolarHBondContact CA-O 3.32Å; V122-A138 HydrophobicContact CB-CB 4.31Å; V122-A138 HydrophobicContact CG1-CB 4.11Å; V122-A138 HydrophobicContact CG2-CB 3.69Å |
| 123 | C | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 146.6 | 162.7 | 65 | 0 | 0 | 0 | 0 | 109.7 | Y113 F136 H137 F430 Y434 W435 | Y113-C123 CarbonylContact O-C 3.47Å; Y113-C123 WeakPolarHBondContact O-CA 3.18Å; C123-F136 CarbonylContact O-C 3.59Å; C123-F136 VanDerWaalsContact O-CA 3.29Å; C123-F136 WeakPolarHBondContact O-CA 3.48Å; C123-H137 PolarHBondContact N-O 3.16Å; C123-H137 PolarHBondContact O-N 3.16Å; C123-F430 WeakPolarHBondContact SG-CE2 3.36Å; C123-Y434 HydrophobicContact CB-CD1 3.68Å; C123-Y434 HydrophobicContact CB-CD2 4.38Å; C123-Y434 HydrophobicContact CB-CE1 3.86Å; C123-Y434 HydrophobicContact CB-CG 3.99Å; C123-W435 HydrophobicContact CB-CH2 3.97Å; C123-W435 HydrophobicContact CB-CZ2 3.72Å |
| 124 | C | 98.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149.3 | 177.4 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | L57 T112 Y113 A135 F136 | L57-C124 HydrophobicContact CB-CB 4.08Å; L57-C124 HydrophobicContact CD2-CB 4.18Å; L57-C124 HydrophobicContact CG-CB 4.47Å; T112-C124 WeakPolarHBondContact CA-O 3.24Å; Y113-C124 PolarHBondContact N-O 2.74Å; Y113-C124 VanDerWaalsContact N-O 3.09Å; Y113-C124 PolarHBondContact O-N 2.89Å; C124-A135 CarbonylContact C-O 3.55Å; C124-A135 VanDerWaalsContact CA-O 3.23Å; C124-A135 WeakPolarHBondContact CA-O 3.41Å; C124-F136 HydrophobicContact CB-CB 4.42Å |
| 125 | E | 98.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 138.7 | 171.4 | -172.9 | 178.9 | -178.1 | 0 | 0 | 109.8 | E111 T112 V127 S134 A135 P412 R413 W414 F415 | E111-E125 WeakPolarHBondContact O-CA 3.43Å; T112-E125 HydrophobicContact CG2-CG 4.43Å; E125-V127 HydrophobicContact CB-CG1 4.08Å; E125-V127 HydrophobicContact CG-CG1 4.18Å; E125-V127 PolarHBondContact O-N 2.79Å; E125-V127 VanDerWaalsContact O-N 3.15Å; E125-S134 WeakPolarHBondContact O-CA 3.48Å; E125-A135 PolarHBondContact N-O 3.27Å; E125-A135 PolarHBondContact O-N 2.88Å; E125-P412 WeakPolarHBondContact OE1-CA 3.48Å; E125-P412 WeakPolarHBondContact OE1-CB 3.47Å; E125-R413 PolarHBondContact OE1-N 2.61Å; E125-R413 PolarHBondContact OE2-N 2.82Å; E125-W414 WeakPolarHBondContact OE2-CB 3.36Å; E125-W414 PolarHBondContact OE2-N 3.5Å; E125-F415 HydrophobicContact CB-CD2 3.66Å; E125-F415 HydrophobicContact CB-CE2 3.73Å; E125-F415 PolarHBondContact OE2-N 3.32Å |
| 126 | Q | 98.3 | Very high | 94 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 95.5 | 164 | -171.8 | 67.9 | 27.9 | 0 | 0 | 109.1 | P107 I108 L109 G110 E111 S128 I133 S134 | P107-Q126 HydrophobicContact CB-CB 3.83Å; P107-Q126 HydrophobicContact CB-CG 3.93Å; P107-Q126 VanDerWaalsContact CB-OE1 3.28Å; P107-Q126 VanDerWaalsContact CG-OE1 3.25Å; I108-Q126 WeakPolarHBondContact O-CB 3.21Å; I108-Q126 WeakPolarHBondContact O-CG 3.22Å; L109-Q126 VanDerWaalsContact CD1-O 3.31Å; L109-Q126 WeakPolarHBondContact CD1-O 3.46Å; G110-Q126 PolarHBondContact N-O 2.77Å; E111-Q126 PolarHBondContact O-N 2.81Å; Q126-S128 PolarHBondContact NE2-O 3.46Å; Q126-I133 CarbonylContact C-O 3.37Å; Q126-I133 PolarHBondContact NE2-O 3.47Å; Q126-I133 VanDerWaalsContact NE2-O 3.14Å; Q126-S134 PolarHBondContact OE1-OG 3.42Å |
| 127 | V | 97.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -20.2 | -172.2 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | E125 I133 A135 P412 F415 W428 | E125-V127 HydrophobicContact CB-CG1 4.08Å; E125-V127 HydrophobicContact CG-CG1 4.18Å; E125-V127 PolarHBondContact O-N 2.79Å; E125-V127 VanDerWaalsContact O-N 3.15Å; V127-I133 HydrophobicContact CG2-CB 3.81Å; V127-I133 HydrophobicContact CG2-CG2 3.62Å; V127-I133 WeakPolarHBondContact CG2-O 3.3Å; V127-I133 PolarHBondContact N-O 3.38Å; V127-A135 HydrophobicContact CG1-CB 3.6Å; V127-A135 HydrophobicContact CG2-CB 4.19Å; V127-P412 HydrophobicContact CB-CB 4.05Å; V127-P412 HydrophobicContact CB-CG 3.6Å; V127-P412 HydrophobicContact CG1-CB 3.86Å; V127-P412 HydrophobicContact CG1-CG 3.99Å; V127-P412 WeakPolarHBondContact O-CG 3.4Å; V127-F415 HydrophobicContact CG1-CB 3.96Å; V127-F415 HydrophobicContact CG1-CD2 4.18Å; V127-F415 HydrophobicContact CG1-CG 4.26Å; V127-W428 HydrophobicContact CB-CD2 4.1Å; V127-W428 HydrophobicContact CB-CE3 4.25Å; V127-W428 HydrophobicContact CB-CZ2 4.48Å; V127-W428 HydrophobicContact CG1-CD2 4.48Å; V127-W428 HydrophobicContact CG1-CE3 4.46Å; V127-W428 HydrophobicContact CG2-CD2 3.83Å; V127-W428 HydrophobicContact CG2-CE3 4.48Å; V127-W428 HydrophobicContact CG2-CG 3.94Å; V127-W428 HydrophobicContact CG2-CZ2 4.33Å |
| 128 | S | 94.9 | Very high | 94.8 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 151.8 | 177.5 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | Q126 P131 P132 I133 | Q126-S128 PolarHBondContact NE2-O 3.46Å; S128-P131 CarbonylContact C-O 3.25Å; S128-P131 VanDerWaalsContact CB-O 3.27Å; S128-P131 WeakPolarHBondContact CB-O 3.27Å; S128-P131 PolarHBondContact OG-O 2.8Å; S128-P132 WeakPolarHBondContact O-CA 3.47Å; S128-I133 PolarHBondContact N-O 3.2Å; S128-I133 PolarHBondContact O-N 3.24Å |
| 129 | H | 88.8 | Confident | 95.2 | Very high | 55 Ų | 55 | 29.4 Ų | 29.4 | 26% | 0.255 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -35.1 | 177.7 | -173.3 | 67.2 | 0 | 0 | 0 | 113.5 | L109 P131 P132 | L109-H129 HydrophobicContact CB-CB 4.23Å; L109-H129 HydrophobicContact CD2-CB 3.94Å; H129-P131 CarbonylContact C-O 3.58Å; H129-P131 VanDerWaalsContact C-O 3.25Å; H129-P131 PolarHBondContact N-O 2.82Å; H129-P131 CarbonylContact O-C 3.23Å; H129-P131 VanDerWaalsContact O-C 3.23Å; H129-P132 WeakPolarHBondContact O-CA 3.2Å; H129-P132 WeakPolarHBondContact O-CD 3.43Å; H129-P132 VanDerWaalsContact O-N 3.07Å |
| 130 | H | 84.7 | Confident | 95.4 | Very high | 116 Ų | 116 | 25.9 Ų | 25.9 | 54% | 0.537 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | 90.3 | 179.2 | -66.9 | -40.1 | 0 | 0 | 0 | 110.6 | ||
| 131 | P | 90.2 | Very high | 95 | Very high | 60 Ų | 60 | 30.1 Ų | 30.1 | 39% | 0.39 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -75.8 | 160.6 | 2.7 | 32.8 | -36.1 | 0 | 0 | 0 | 112.9 | S128 H129 I133 | S128-P131 CarbonylContact C-O 3.25Å; S128-P131 VanDerWaalsContact CB-O 3.27Å; S128-P131 WeakPolarHBondContact CB-O 3.27Å; S128-P131 PolarHBondContact OG-O 2.8Å; H129-P131 CarbonylContact C-O 3.58Å; H129-P131 VanDerWaalsContact C-O 3.25Å; H129-P131 PolarHBondContact N-O 2.82Å; H129-P131 CarbonylContact O-C 3.23Å; H129-P131 VanDerWaalsContact O-C 3.23Å; P131-I133 HydrophobicContact CG-CD1 4.18Å; P131-I133 HydrophobicContact CG-CG1 4.22Å; P131-I133 PolarHBondContact O-N 3.36Å |
| 132 | P | 91.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 26.8 Ų | 26.8 | 37% | 0.37 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 116.9 | 175.6 | 28.2 | -33.2 | 0 | 0 | 0 | 109.6 | S128 H129 N150 | S128-P132 WeakPolarHBondContact O-CA 3.47Å; H129-P132 WeakPolarHBondContact O-CA 3.2Å; H129-P132 WeakPolarHBondContact O-CD 3.43Å; H129-P132 VanDerWaalsContact O-N 3.07Å; P132-N150 WeakPolarHBondContact O-CA 3.33Å; P132-N150 PolarHBondContact O-OD1 2.85Å |
| 133 | I | 96.7 | Very high | 94.7 | Very high | 26 Ų | 26 | 27.1 Ų | 27.1 | 13% | 0.133 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.3 | 176.3 | -51.9 | 175 | 0 | 0 | 0 | 108.5 | Q126 V127 S128 P131 T148 I149 N150 | Q126-I133 CarbonylContact C-O 3.37Å; Q126-I133 PolarHBondContact NE2-O 3.47Å; Q126-I133 VanDerWaalsContact NE2-O 3.14Å; V127-I133 HydrophobicContact CG2-CB 3.81Å; V127-I133 HydrophobicContact CG2-CG2 3.62Å; V127-I133 WeakPolarHBondContact CG2-O 3.3Å; V127-I133 PolarHBondContact N-O 3.38Å; S128-I133 PolarHBondContact N-O 3.2Å; S128-I133 PolarHBondContact O-N 3.24Å; P131-I133 HydrophobicContact CG-CD1 4.18Å; P131-I133 HydrophobicContact CG-CG1 4.22Å; P131-I133 PolarHBondContact O-N 3.36Å; I133-T148 HydrophobicContact CG2-CG2 4.48Å; I133-I149 WeakPolarHBondContact CA-O 3.33Å; I133-N150 HydrophobicContact CG1-CB 4.14Å |
| 134 | S | 98.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.3 | 170.5 | -47.2 | 0 | 0 | 0 | 0 | 108.8 | F56 E125 Q126 T148 I149 | F56-S134 WeakPolarHBondContact CD1-OG 3.27Å; E125-S134 WeakPolarHBondContact O-CA 3.48Å; Q126-S134 PolarHBondContact OE1-OG 3.42Å; S134-T148 CarbonylContact O-C 3.43Å; S134-T148 VanDerWaalsContact O-CA 3.3Å; S134-T148 WeakPolarHBondContact O-CA 3.41Å; S134-I149 PolarHBondContact N-O 3.47Å; S134-I149 PolarHBondContact O-N 2.87Å |
| 135 | A | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 147.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | C124 E125 V127 T148 F415 W428 | C124-A135 CarbonylContact C-O 3.55Å; C124-A135 VanDerWaalsContact CA-O 3.23Å; C124-A135 WeakPolarHBondContact CA-O 3.41Å; E125-A135 PolarHBondContact N-O 3.27Å; E125-A135 PolarHBondContact O-N 2.88Å; V127-A135 HydrophobicContact CG1-CB 3.6Å; V127-A135 HydrophobicContact CG2-CB 4.19Å; A135-T148 HydrophobicContact CB-CG2 3.87Å; A135-F415 HydrophobicContact CB-CB 4.37Å; A135-F415 HydrophobicContact CB-CD1 3.63Å; A135-F415 HydrophobicContact CB-CD2 3.98Å; A135-F415 HydrophobicContact CB-CE1 3.82Å; A135-F415 HydrophobicContact CB-CE2 4.18Å; A135-F415 HydrophobicContact CB-CG 3.72Å; A135-F415 HydrophobicContact CB-CZ 4.11Å; A135-W428 HydrophobicContact CB-CB 4.1Å |
| 136 | F | 98.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 153.6 | 174.1 | 75 | -79 | 0 | 0 | 0 | 111.7 | L60 C123 C124 F145 Y146 G147 F168 | L60-F136 HydrophobicContact CD1-CD1 3.87Å; L60-F136 HydrophobicContact CD1-CE1 4.17Å; L60-F136 HydrophobicContact CD1-CG 4.48Å; L60-F136 HydrophobicContact CD2-CB 3.68Å; L60-F136 HydrophobicContact CD2-CD1 3.71Å; L60-F136 HydrophobicContact CD2-CG 3.96Å; L60-F136 HydrophobicContact CG-CB 4.13Å; L60-F136 HydrophobicContact CG-CD1 3.87Å; L60-F136 HydrophobicContact CG-CG 4.05Å; C123-F136 CarbonylContact O-C 3.59Å; C123-F136 VanDerWaalsContact O-CA 3.29Å; C123-F136 WeakPolarHBondContact O-CA 3.48Å; C124-F136 HydrophobicContact CB-CB 4.42Å; F136-F145 AromaticContact CE2-CD1 3.59Å; F136-F145 HydrophobicContact CE2-CD1 3.59Å; F136-F145 AromaticContact CE2-CE1 3.46Å; F136-F145 HydrophobicContact CE2-CE1 3.46Å; F136-F145 VanDerWaalsContact CE2-CE1 3.46Å; F136-F145 HydrophobicContact CE2-CG 4.23Å; F136-F145 AromaticContact CE2-CZ 3.97Å; F136-F145 HydrophobicContact CE2-CZ 3.97Å; F136-F145 WeakPolarHBondContact CE2-O 3.46Å; F136-F145 HydrophobicContact CZ-CD1 4.28Å; F136-F145 AromaticContact CZ-CE1 3.8Å; F136-F145 HydrophobicContact CZ-CE1 3.8Å; F136-F145 HydrophobicContact CZ-CE2 4.32Å; F136-F145 AromaticContact CZ-CZ 3.83Å; F136-F145 HydrophobicContact CZ-CZ 3.83Å; F136-Y146 VanDerWaalsContact CZ-C 3.44Å; F136-Y146 WeakPolarHBondContact O-CA 3.44Å; F136-Y146 WeakPolarHBondContact O-CB 3.49Å; F136-G147 VanDerWaalsContact CD1-O 3.26Å; F136-G147 WeakPolarHBondContact CD1-O 3.47Å; F136-G147 PolarHBondContact N-O 3.24Å; F136-G147 PolarHBondContact O-N 2.92Å; F136-F168 HydrophobicContact CE1-CD1 4.02Å; F136-F168 AromaticContact CE1-CE1 3.88Å; F136-F168 HydrophobicContact CE1-CE1 3.88Å; F136-F168 AromaticContact CZ-CD1 3.74Å; F136-F168 HydrophobicContact CZ-CD1 3.74Å; F136-F168 AromaticContact CZ-CE1 3.96Å; F136-F168 HydrophobicContact CZ-CE1 3.96Å |
| 137 | H | 98.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 6% | 0.06 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 112.8 | 172.9 | -178.2 | 97.3 | 0 | 0 | 0 | 109.5 | V122 C123 Q139 F415 F430 | V122-H137 WeakPolarHBondContact CA-O 3.32Å; C123-H137 PolarHBondContact N-O 3.16Å; C123-H137 PolarHBondContact O-N 3.16Å; H137-Q139 PolarHBondContact CD2-OE1 2.78Å; H137-Q139 PolarHBondContact NE2-OE1 3.27Å; H137-F415 HydrophobicContact CB-CE1 4.03Å; H137-F415 HydrophobicContact CB-CZ 4.18Å; H137-F430 HydrophobicContact CB-CB 3.7Å; H137-F430 HydrophobicContact CB-CD1 4.12Å; H137-F430 HydrophobicContact CB-CD2 4.24Å; H137-F430 HydrophobicContact CB-CG 3.76Å; H137-F430 AromaticContact CD2-CD1 3.44Å; H137-F430 VanDerWaalsContact CD2-CD1 3.44Å; H137-F430 WeakPolarHBondContact CD2-CD1 3.34Å; H137-F430 AromaticContact CD2-CE1 3.91Å; H137-F430 AromaticContact CE1-CD1 3.86Å; H137-F430 AromaticContact CG-CD1 3.54Å; H137-F430 AromaticContact CG-CG 3.64Å; H137-F430 WeakPolarHBondContact ND1-CB 3.42Å; H137-F430 AromaticContact ND1-CD1 3.82Å; H137-F430 AromaticContact ND1-CG 3.94Å; H137-F430 AromaticContact NE2-CD1 3.64Å |
| 138 | A | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | M64 R121 V122 K144 F145 | M64-A138 HydrophobicContact CE-CB 4.01Å; M64-A138 HydrophobicContact CG-CB 4.44Å; M64-A138 HydrophobicContact SD-CB 3.96Å; R121-A138 CarbonylContact O-C 3.56Å; R121-A138 VanDerWaalsContact O-CA 3.23Å; R121-A138 WeakPolarHBondContact O-CA 3.49Å; V122-A138 HydrophobicContact CB-CB 4.31Å; V122-A138 HydrophobicContact CG1-CB 4.11Å; V122-A138 HydrophobicContact CG2-CB 3.69Å; A138-K144 WeakPolarHBondContact O-CA 3.22Å; A138-F145 WeakPolarHBondContact CA-O 3.23Å; A138-F145 HydrophobicContact CB-CB 4.22Å; A138-F145 HydrophobicContact CB-CD1 4.26Å; A138-F145 WeakPolarHBondContact CB-O 3.34Å; A138-F145 PolarHBondContact N-O 2.82Å; A138-F145 PolarHBondContact O-N 3.29Å |
| 139 | Q | 95.7 | Very high | 94.7 | Very high | 53 Ų | 53 | 30.8 Ų | 30.8 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 151.8 | 177.3 | 63.5 | -178.5 | 48 | 0 | 0 | 112 | F120 R121 H137 F143 | F120-Q139 WeakPolarHBondContact CA-O 3.39Å; R121-Q139 HydrophobicContact CG-CG 3.92Å; R121-Q139 PolarHBondContact N-O 3.26Å; R121-Q139 PolarHBondContact O-N 3Å; H137-Q139 PolarHBondContact CD2-OE1 2.78Å; H137-Q139 PolarHBondContact NE2-OE1 3.27Å; Q139-F143 WeakPolarHBondContact CA-O 3.23Å |
| 140 | S | 92.6 | Very high | 95 | Very high | 38 Ų | 38 | 29.3 Ų | 29.3 | 27% | 0.266 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 178.3 | 170 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | E119 G142 F143 | E119-S140 WeakPolarHBondContact O-CB 3.49Å; E119-S140 PolarHBondContact O-OG 2.68Å; S140-G142 PolarHBondContact O-N 3.03Å; S140-G142 VanDerWaalsContact O-N 3.09Å; S140-F143 VanDerWaalsContact CB-CZ 3.48Å; S140-F143 PolarHBondContact N-O 2.64Å; S140-F143 PolarHBondContact O-N 2.78Å; S140-F143 VanDerWaalsContact O-O 3.14Å |
| 141 | T | 85.4 | Confident | 95.3 | Very high | 96 Ų | 96 | 25.6 Ų | 25.6 | 59% | 0.589 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 111 | 166.9 | -52.1 | 0 | 0 | 0 | 0 | 109.2 | F189 | T141-F189 HydrophobicContact CG2-CZ 4.12Š|
| 142 | G | 90.5 | Very high | 95.3 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 9% | 0.093 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | -5.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T74 S140 E173 | T74-G142 VanDerWaalsContact CG2-O 3.25Å; T74-G142 WeakPolarHBondContact CG2-O 3.43Å; S140-G142 PolarHBondContact O-N 3.03Å; S140-G142 VanDerWaalsContact O-N 3.09Å; G142-E173 PolarHBondContact O-N 2.86Å |
| 143 | F | 95.1 | Very high | 95 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 153.4 | 172.7 | 74.2 | -96.4 | 0 | 0 | 0 | 114.4 | M64 L70 T74 F120 Q139 S140 F145 L170 E171 L172 | M64-F143 HydrophobicContact CE-CE2 4.09Å; M64-F143 HydrophobicContact CE-CZ 4.15Å; L70-F143 HydrophobicContact CB-CD1 4.01Å; L70-F143 HydrophobicContact CB-CE1 3.78Å; L70-F143 HydrophobicContact CB-CZ 4.16Å; L70-F143 HydrophobicContact CD1-CD2 4.17Å; L70-F143 HydrophobicContact CD1-CE1 4.02Å; L70-F143 HydrophobicContact CD1-CE2 3.6Å; L70-F143 HydrophobicContact CD1-CZ 3.5Å; L70-F143 HydrophobicContact CG-CZ 4.46Å; T74-F143 HydrophobicContact CG2-CB 4.07Å; T74-F143 HydrophobicContact CG2-CD1 4.17Å; F120-F143 HydrophobicContact CB-CZ 4.04Å; Q139-F143 WeakPolarHBondContact CA-O 3.23Å; S140-F143 VanDerWaalsContact CB-CZ 3.48Å; S140-F143 PolarHBondContact N-O 2.64Å; S140-F143 PolarHBondContact O-N 2.78Å; S140-F143 VanDerWaalsContact O-O 3.14Å; F143-F145 HydrophobicContact CD2-CB 4.3Å; F143-F145 HydrophobicContact CE2-CB 4.41Å; F143-L170 HydrophobicContact CB-CD1 4.1Å; F143-L170 HydrophobicContact CD2-CD1 4.32Å; F143-L170 HydrophobicContact CG-CD1 4.46Å; F143-E171 CarbonylContact C-O 3.59Å; F143-E171 VanDerWaalsContact CA-O 3.26Å; F143-E171 WeakPolarHBondContact CA-O 3.4Å; F143-L172 HydrophobicContact CB-CD2 4.31Å |
| 144 | K | 96.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 33.8 Ų | 33.8 | 24% | 0.243 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.9 | 159 | -61 | 172.4 | -179.6 | 113.1 | 0 | 109.3 | A138 Y146 L170 E171 E173 | A138-K144 WeakPolarHBondContact O-CA 3.22Å; K144-Y146 HydrophobicContact CB-CD1 4.02Å; K144-Y146 HydrophobicContact CB-CE1 4.22Å; K144-L170 WeakPolarHBondContact O-CA 3.41Å; K144-E171 HydrophobicContact CB-CB 4.32Å; K144-E171 PolarHBondContact N-O 2.76Å; K144-E171 IonicContact NZ-OE1 3.75Å; K144-E171 PolarHBondContact NZ-OE1 2.92Å; K144-E171 VanDerWaalsContact NZ-OE1 3.16Å; K144-E171 PolarHBondContact O-N 3Å; K144-E173 WeakPolarHBondContact CE-OE1 3.23Å; K144-E173 IonicContact NZ-OE1 2.72Å; K144-E173 PolarHBondContact NZ-OE1 2.99Å |
| 145 | F | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 112.9 | 173.2 | 173.4 | -117.2 | 0 | 0 | 0 | 109.4 | Y63 M64 F89 F136 A138 F143 F168 T169 L170 W197 | Y63-F145 HydrophobicContact CD1-CZ 4.15Å; M64-F145 HydrophobicContact SD-CD1 3.43Å; M64-F145 WeakPolarHBondContact SD-CD1 3.41Å; M64-F145 HydrophobicContact SD-CE1 3.93Å; M64-F145 HydrophobicContact SD-CG 4.42Å; F89-F145 HydrophobicContact CE1-CD1 4.34Å; F89-F145 HydrophobicContact CE1-CD2 4.06Å; F89-F145 HydrophobicContact CE1-CE1 4.11Å; F89-F145 AromaticContact CE1-CE2 3.83Å; F89-F145 HydrophobicContact CE1-CE2 3.83Å; F89-F145 HydrophobicContact CE1-CG 4.31Å; F89-F145 AromaticContact CE1-CZ 3.84Å; F89-F145 HydrophobicContact CE1-CZ 3.84Å; F89-F145 HydrophobicContact CZ-CD1 4.12Å; F89-F145 AromaticContact CZ-CE1 3.96Å; F89-F145 HydrophobicContact CZ-CE1 3.96Å; F89-F145 HydrophobicContact CZ-CE2 4.48Å; F89-F145 HydrophobicContact CZ-CG 4.43Å; F89-F145 HydrophobicContact CZ-CZ 4.15Å; F136-F145 AromaticContact CE2-CD1 3.59Å; F136-F145 HydrophobicContact CE2-CD1 3.59Å; F136-F145 AromaticContact CE2-CE1 3.46Å; F136-F145 HydrophobicContact CE2-CE1 3.46Å; F136-F145 VanDerWaalsContact CE2-CE1 3.46Å; F136-F145 HydrophobicContact CE2-CG 4.23Å; F136-F145 AromaticContact CE2-CZ 3.97Å; F136-F145 HydrophobicContact CE2-CZ 3.97Å; F136-F145 WeakPolarHBondContact CE2-O 3.46Å; F136-F145 HydrophobicContact CZ-CD1 4.28Å; F136-F145 AromaticContact CZ-CE1 3.8Å; F136-F145 HydrophobicContact CZ-CE1 3.8Å; F136-F145 HydrophobicContact CZ-CE2 4.32Å; F136-F145 AromaticContact CZ-CZ 3.83Å; F136-F145 HydrophobicContact CZ-CZ 3.83Å; A138-F145 WeakPolarHBondContact CA-O 3.23Å; A138-F145 HydrophobicContact CB-CB 4.22Å; A138-F145 HydrophobicContact CB-CD1 4.26Å; A138-F145 WeakPolarHBondContact CB-O 3.34Å; A138-F145 PolarHBondContact N-O 2.82Å; A138-F145 PolarHBondContact O-N 3.29Å; F143-F145 HydrophobicContact CD2-CB 4.3Å; F143-F145 HydrophobicContact CE2-CB 4.41Å; F145-F168 HydrophobicContact CE2-CB 4.09Å; F145-F168 HydrophobicContact CE2-CD1 4.02Å; F145-F168 AromaticContact CZ-CD1 3.69Å; F145-F168 HydrophobicContact CZ-CD1 3.69Å; F145-F168 HydrophobicContact CZ-CE1 4.43Å; F145-T169 CarbonylContact C-O 3.58Å; F145-T169 VanDerWaalsContact CA-O 3.31Å; F145-T169 WeakPolarHBondContact CA-O 3.46Å; F145-T169 WeakPolarHBondContact CD2-O 3.49Å; F145-L170 HydrophobicContact CB-CD1 4.24Å; F145-L170 HydrophobicContact CD2-CB 4.38Å; F145-W197 HydrophobicContact CD2-CH2 4.09Å; F145-W197 AromaticContact CE2-CH2 3.47Å; F145-W197 HydrophobicContact CE2-CH2 3.47Å; F145-W197 VanDerWaalsContact CE2-CH2 3.47Å; F145-W197 AromaticContact CE2-CZ2 3.67Å; F145-W197 HydrophobicContact CE2-CZ2 3.67Å; F145-W197 HydrophobicContact CE2-CZ3 4.49Å; F145-W197 HydrophobicContact CZ-CH2 4.36Å; F145-W197 HydrophobicContact CZ-CZ2 4.16Å |
| 146 | Y | 98.4 | Very high | 92.6 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 9% | 0.09 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 166 | -170.2 | 60.4 | -88.5 | 0 | 0 | 0 | 111.7 | F136 K144 T169 E171 | F136-Y146 VanDerWaalsContact CZ-C 3.44Å; F136-Y146 WeakPolarHBondContact O-CA 3.44Å; F136-Y146 WeakPolarHBondContact O-CB 3.49Å; K144-Y146 HydrophobicContact CB-CD1 4.02Å; K144-Y146 HydrophobicContact CB-CE1 4.22Å; Y146-T169 HydrophobicContact CE1-CG2 3.85Å; Y146-T169 HydrophobicContact CE2-CG2 3.93Å; Y146-T169 VanDerWaalsContact CZ-CG2 3.48Å; Y146-T169 PolarHBondContact N-O 2.87Å; Y146-T169 PolarHBondContact O-N 2.62Å; Y146-T169 WeakPolarHBondContact OH-CG2 3.44Å; Y146-E171 HydrophobicContact CE1-CB 4.24Å; Y146-E171 PolarHBondContact OH-OE2 2.83Å |
| 147 | G | 97.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | -172.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F136 L167 | F136-G147 VanDerWaalsContact CD1-O 3.26Å; F136-G147 WeakPolarHBondContact CD1-O 3.47Å; F136-G147 PolarHBondContact N-O 3.24Å; F136-G147 PolarHBondContact O-N 2.92Å; G147-L167 VanDerWaalsContact CA-O 3.23Å; G147-L167 WeakPolarHBondContact CA-O 3.23Å |
| 148 | T | 97.4 | Very high | 90.6 | Very high | 23 Ų | 23 | 50 Ų | 50 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.8 | 174.8 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | I133 S134 A135 G166 W428 | I133-T148 HydrophobicContact CG2-CG2 4.48Å; S134-T148 CarbonylContact O-C 3.43Å; S134-T148 VanDerWaalsContact O-CA 3.3Å; S134-T148 WeakPolarHBondContact O-CA 3.41Å; A135-T148 HydrophobicContact CB-CG2 3.87Å; T148-G166 WeakPolarHBondContact O-CA 3.05Å; T148-W428 HydrophobicContact CG2-CB 3.65Å; T148-W428 HydrophobicContact CG2-CG 4.07Å |
| 149 | I | 96.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.2 | 172.7 | -49.2 | -169.4 | 0 | 0 | 0 | 109.9 | F56 L60 Y63 I133 S134 P151 P164 I165 F168 | F56-I149 HydrophobicContact CE1-CB 4.28Å; F56-I149 HydrophobicContact CE1-CG2 4.39Å; F56-I149 HydrophobicContact CZ-CB 4.28Å; F56-I149 HydrophobicContact CZ-CD1 4.33Å; F56-I149 HydrophobicContact CZ-CG2 4.02Å; L60-I149 HydrophobicContact CD1-CD1 3.22Å; L60-I149 HydrophobicContact CD1-CG1 3.79Å; Y63-I149 HydrophobicContact CE2-CD1 4.37Å; I133-I149 WeakPolarHBondContact CA-O 3.33Å; S134-I149 PolarHBondContact N-O 3.47Å; S134-I149 PolarHBondContact O-N 2.87Å; I149-P151 HydrophobicContact CG2-CG 3.87Å; I149-P164 HydrophobicContact CG2-CB 4.38Å; I149-I165 CarbonylContact C-O 3.54Å; I149-I165 WeakPolarHBondContact CA-O 3.26Å; I149-F168 HydrophobicContact CD1-CE1 4.11Å; I149-F168 HydrophobicContact CD1-CZ 3.58Å; I149-F168 HydrophobicContact CG1-CE1 4.42Å; I149-F168 HydrophobicContact CG1-CZ 3.97Å |
| 150 | N | 94.7 | Very high | 89.2 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 81.1 | 173.7 | 178.2 | 5.2 | 0 | 0 | 0 | 109.2 | P132 I133 R152 I165 | P132-N150 WeakPolarHBondContact O-CA 3.33Å; P132-N150 PolarHBondContact O-OD1 2.85Å; I133-N150 HydrophobicContact CG1-CB 4.14Å; N150-R152 PolarHBondContact O-N 2.81Å; N150-I165 HydrophobicContact CB-CB 4.39Å; N150-I165 PolarHBondContact N-O 3.42Å; N150-I165 WeakPolarHBondContact O-CB 3.45Å; N150-I165 PolarHBondContact O-N 3.34Å |
| 151 | P | 91.6 | Very high | 89 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 24% | 0.24 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 131.5 | -177.4 | -17.6 | 31 | 0 | 0 | 0 | 111.5 | F56 I149 E163 | F56-P151 HydrophobicContact CE1-CG 3.96Å; F56-P151 HydrophobicContact CE2-CG 4.48Å; F56-P151 HydrophobicContact CZ-CG 3.77Å; I149-P151 HydrophobicContact CG2-CG 3.87Å; P151-E163 WeakPolarHBondContact CA-O 3.39Å |
| 152 | R | 89.2 | Confident | 89.2 | Confident | 135 Ų | 135 | 46.6 Ų | 46.6 | 51% | 0.509 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.9 | 168.2 | -66.1 | -167.2 | -177 | 177.2 | -3.9 | 110.5 | N150 I162 E163 I165 | N150-R152 PolarHBondContact O-N 2.81Å; R152-I162 WeakPolarHBondContact O-CA 3.28Å; R152-E163 HydrophobicContact CB-CB 4.34Å; R152-E163 PolarHBondContact N-O 2.97Å; R152-E163 PolarHBondContact O-N 2.98Å; R152-I165 HydrophobicContact CB-CD1 4.39Å; R152-I165 VanDerWaalsContact CD-CD1 3.47Å; R152-I165 HydrophobicContact CG-CD1 3.71Å |
| 153 | I | 85.5 | Confident | 89.3 | Confident | 99 Ų | 99 | 48.5 Ų | 48.5 | 51% | 0.508 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.7 | 177.3 | -56.4 | 174.8 | 0 | 0 | 0 | 107.9 | L160 E161 | I153-L160 HydrophobicContact CG2-CD2 4.5Å; I153-E161 CarbonylContact C-O 3.6Å; I153-E161 WeakPolarHBondContact CA-O 3.27Å |
| 154 | K | 85 | Confident | 89.2 | Confident | 82 Ų | 82 | 49 Ų | 49 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.3 | 174.7 | -61.8 | 173.2 | -168.8 | 157.9 | 0 | 108.8 | E161 E163 | K154-E161 HydrophobicContact CB-CB 4.34Å; K154-E161 PolarHBondContact N-O 3.06Å; K154-E161 PolarHBondContact O-N 3.36Å; K154-E163 WeakPolarHBondContact CE-OE2 3.34Å; K154-E163 IonicContact NZ-OE2 3.31Å; K154-E163 PolarHBondContact NZ-OE2 3.4Å |
| 155 | I | 79.4 | Confident | 89.1 | Confident | 42 Ų | 42 | 49 Ų | 49 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127 | 172.2 | -58.7 | 176.4 | 0 | 0 | 0 | 108.1 | I37 L41 L160 | I37-I155 HydrophobicContact CG1-CD1 4.47Å; I37-I155 HydrophobicContact CG1-CG2 4.27Å; L41-I155 HydrophobicContact CD1-CD1 3.83Å; L41-I155 HydrophobicContact CD1-CG1 4Å; L41-I155 HydrophobicContact CD2-CD1 3.64Å; L41-I155 HydrophobicContact CG-CD1 4.26Å; I155-L160 HydrophobicContact CB-CD2 4.46Å; I155-L160 HydrophobicContact CD1-CD2 4.47Å; I155-L160 HydrophobicContact CG1-CD2 3.67Å |
| 156 | R | 79 | Confident | 89 | Confident | 155 Ų | 155 | 49.5 Ų | 49.5 | 59% | 0.585 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 94.7 | 176.1 | -63.1 | -171.9 | -173.9 | -157.3 | 4.8 | 109.3 | Q158 S159 E161 | R156-Q158 PolarHBondContact O-N 2.99Å; R156-S159 PolarHBondContact N-O 2.98Å; R156-S159 WeakPolarHBondContact O-CB 3.38Å; R156-S159 PolarHBondContact O-N 3.43Å; R156-E161 IonicContact CZ-OE1 2.71Å; R156-E161 IonicContact CZ-OE2 3.09Å; R156-E161 IonicContact NE-OE2 2.79Å; R156-E161 PolarHBondContact NE-OE2 3.21Å; R156-E161 VanDerWaalsContact NH2-CD 3.33Å; R156-E161 IonicContact NH2-OE1 3.72Å; R156-E161 PolarHBondContact NH2-OE1 3.5Å; R156-E161 IonicContact NH2-OE2 2.77Å; R156-E161 PolarHBondContact NH2-OE2 3.15Å |
| 157 | G | 78.2 | Confident | 88.9 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 61% | 0.608 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -122.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111 | W30 S159 | W30-G157 WeakPolarHBondContact CH2-O 3.47Å; G157-S159 VanDerWaalsContact C-N 3.3Å |
| 158 | Q | 78 | Confident | 88.9 | Confident | 105 Ų | 105 | 50.3 Ų | 50.3 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 9 | 175.4 | -58.9 | -169.7 | 4.4 | 0 | 0 | 114.4 | W30 R156 N206 | W30-Q158 VanDerWaalsContact CH2-CA 3.45Å; W30-Q158 HydrophobicContact CH2-CB 4.09Å; W30-Q158 HydrophobicContact CH2-CG 4.12Å; W30-Q158 HydrophobicContact CZ2-CB 4.06Å; W30-Q158 HydrophobicContact CZ2-CG 3.67Å; R156-Q158 PolarHBondContact O-N 2.99Å; Q158-N206 WeakPolarHBondContact CB-OD1 3.48Å; Q158-N206 VanDerWaalsContact O-CA 3.27Å; Q158-N206 WeakPolarHBondContact O-CA 3.45Å; Q158-N206 PolarHBondContact O-N 2.79Å; Q158-N206 PolarHBondContact OE1-OD1 2.94Å |
| 159 | S | 79.5 | Confident | 89 | Confident | 22 Ų | 22 | 49.2 Ų | 49.2 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 147.9 | -176.9 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | R156 G157 V204 N205 | R156-S159 PolarHBondContact N-O 2.98Å; R156-S159 WeakPolarHBondContact O-CB 3.38Å; R156-S159 PolarHBondContact O-N 3.43Å; G157-S159 VanDerWaalsContact C-N 3.3Å; S159-V204 CarbonylContact C-O 3.59Å; S159-V204 VanDerWaalsContact CA-O 3.28Å; S159-V204 WeakPolarHBondContact CA-O 3.35Å; S159-N205 WeakPolarHBondContact CB-OD1 3.44Å; S159-N205 PolarHBondContact OG-OD1 3.26Å |
| 160 | L | 83.8 | Confident | 89.1 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 12% | 0.12 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.3 | 167.1 | -58.5 | 178 | 0 | 0 | 0 | 109.2 | L33 I153 I155 I203 V204 I207 | L33-L160 HydrophobicContact CD1-CD1 3.92Å; I153-L160 HydrophobicContact CG2-CD2 4.5Å; I155-L160 HydrophobicContact CB-CD2 4.46Å; I155-L160 HydrophobicContact CD1-CD2 4.47Å; I155-L160 HydrophobicContact CG1-CD2 3.67Å; L160-I203 WeakPolarHBondContact O-CA 3.48Å; L160-V204 HydrophobicContact CB-CB 4.29Å; L160-V204 PolarHBondContact N-O 3.09Å; L160-V204 PolarHBondContact O-N 2.87Å; L160-I207 HydrophobicContact CD1-CD1 3.91Å; L160-I207 HydrophobicContact CD1-CG1 4.45Å; L160-I207 HydrophobicContact CG-CD1 4.16Å |
| 161 | E | 88.1 | Confident | 89.2 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.5 | 166.8 | 172.8 | -177.8 | -149.8 | 0 | 0 | 108.7 | I153 K154 R156 N201 I203 | I153-E161 CarbonylContact C-O 3.6Å; I153-E161 WeakPolarHBondContact CA-O 3.27Å; K154-E161 HydrophobicContact CB-CB 4.34Å; K154-E161 PolarHBondContact N-O 3.06Å; K154-E161 PolarHBondContact O-N 3.36Å; R156-E161 IonicContact CZ-OE1 2.71Å; R156-E161 IonicContact CZ-OE2 3.09Å; R156-E161 IonicContact NE-OE2 2.79Å; R156-E161 PolarHBondContact NE-OE2 3.21Å; R156-E161 VanDerWaalsContact NH2-CD 3.33Å; R156-E161 IonicContact NH2-OE1 3.72Å; R156-E161 PolarHBondContact NH2-OE1 3.5Å; R156-E161 IonicContact NH2-OE2 2.77Å; R156-E161 PolarHBondContact NH2-OE2 3.15Å; E161-N201 HydrophobicContact CG-CB 4.47Å; E161-N201 PolarHBondContact OE1-ND2 3.04Å; E161-I203 HydrophobicContact CB-CD1 3.72Å; E161-I203 HydrophobicContact CG-CD1 3.57Å |
| 162 | I | 89.5 | Confident | 89.4 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.2 | 176.9 | -55 | 168.6 | 0 | 0 | 0 | 107.2 | R152 P164 N201 T202 V204 | R152-I162 WeakPolarHBondContact O-CA 3.28Å; I162-P164 WeakPolarHBondContact O-CD 3.49Å; I162-N201 WeakPolarHBondContact O-CA 3.34Å; I162-T202 PolarHBondContact N-O 3.33Å; I162-T202 PolarHBondContact O-N 3.27Å; I162-V204 HydrophobicContact CD1-CG2 4.31Å |
| 163 | E | 93.3 | Very high | 89.4 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 23% | 0.229 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 104.2 | 178.9 | -173.5 | -177.9 | 180 | 0 | 0 | 108.8 | P151 R152 K154 I165 | P151-E163 WeakPolarHBondContact CA-O 3.39Å; R152-E163 HydrophobicContact CB-CB 4.34Å; R152-E163 PolarHBondContact N-O 2.97Å; R152-E163 PolarHBondContact O-N 2.98Å; K154-E163 WeakPolarHBondContact CE-OE2 3.34Å; K154-E163 IonicContact NZ-OE2 3.31Å; K154-E163 PolarHBondContact NZ-OE2 3.4Å; E163-I165 VanDerWaalsContact C-N 3.27Å; E163-I165 HydrophobicContact CB-CG1 4.42Å; E163-I165 HydrophobicContact CG-CD1 4.25Å; E163-I165 HydrophobicContact CG-CG1 3.62Å; E163-I165 PolarHBondContact O-N 2.73Å |
| 164 | P | 93.2 | Very high | 89 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 13% | 0.13 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 70.9 | 179.5 | 34.6 | -35.4 | 0 | 0 | 0 | 110.5 | I149 I162 G166 N199 V200 | I149-P164 HydrophobicContact CG2-CB 4.38Å; I162-P164 WeakPolarHBondContact O-CD 3.49Å; P164-G166 PolarHBondContact O-N 3.23Å; P164-N199 HydrophobicContact CB-CB 4.47Å; P164-N199 HydrophobicContact CG-CB 3.78Å; P164-V200 WeakPolarHBondContact CD-O 3.35Å; P164-V200 WeakPolarHBondContact CG-O 3.47Å |
| 165 | I | 95.3 | Very high | 88.1 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 124 | -176.2 | -54.5 | 178.3 | 0 | 0 | 0 | 109.4 | I149 N150 R152 E163 | I149-I165 CarbonylContact C-O 3.54Å; I149-I165 WeakPolarHBondContact CA-O 3.26Å; N150-I165 HydrophobicContact CB-CB 4.39Å; N150-I165 PolarHBondContact N-O 3.42Å; N150-I165 WeakPolarHBondContact O-CB 3.45Å; N150-I165 PolarHBondContact O-N 3.34Å; R152-I165 HydrophobicContact CB-CD1 4.39Å; R152-I165 VanDerWaalsContact CD-CD1 3.47Å; R152-I165 HydrophobicContact CG-CD1 3.71Å; E163-I165 VanDerWaalsContact C-N 3.27Å; E163-I165 HydrophobicContact CB-CG1 4.42Å; E163-I165 HydrophobicContact CG-CD1 4.25Å; E163-I165 HydrophobicContact CG-CG1 3.62Å; E163-I165 PolarHBondContact O-N 2.73Å |
| 166 | G | 95 | Very high | 87.2 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | 157.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T148 P164 S198 | T148-G166 WeakPolarHBondContact O-CA 3.05Å; P164-G166 PolarHBondContact O-N 3.23Å; G166-S198 WeakPolarHBondContact O-CB 3.16Å; G166-S198 PolarHBondContact O-OG 2.79Å |
| 167 | L | 97.3 | Very high | 86.3 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.1 | 168.7 | -171.2 | 71.2 | 0 | 0 | 0 | 107.9 | G147 T196 T423 | G147-L167 VanDerWaalsContact CA-O 3.23Å; G147-L167 WeakPolarHBondContact CA-O 3.23Å; L167-T196 HydrophobicContact CD2-CG2 4.37Å; L167-T423 HydrophobicContact CD2-CG2 3.74Å |
| 168 | F | 98.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.8 | 169.3 | -65.2 | -85 | 0 | 0 | 0 | 108.6 | Y63 F136 F145 I149 T196 W197 N199 | Y63-F168 HydrophobicContact CD1-CD1 4.17Å; Y63-F168 AromaticContact CD1-CE1 3.69Å; Y63-F168 HydrophobicContact CD1-CE1 3.69Å; Y63-F168 HydrophobicContact CD1-CZ 4.21Å; Y63-F168 AromaticContact CE1-CD1 3.98Å; Y63-F168 HydrophobicContact CE1-CD1 3.98Å; Y63-F168 AromaticContact CE1-CE1 3.22Å; Y63-F168 HydrophobicContact CE1-CE1 3.22Å; Y63-F168 HydrophobicContact CE1-CE2 4.06Å; Y63-F168 AromaticContact CE1-CZ 3.28Å; Y63-F168 HydrophobicContact CE1-CZ 3.28Å; Y63-F168 HydrophobicContact CE2-CE1 4.4Å; Y63-F168 HydrophobicContact CE2-CZ 4.43Å; Y63-F168 HydrophobicContact CG-CE1 4.44Å; Y63-F168 AromaticContact CZ-CE1 3.64Å; Y63-F168 AromaticContact CZ-CZ 3.42Å; Y63-F168 VanDerWaalsContact CZ-CZ 3.42Å; Y63-F168 VanDerWaalsContact OH-CZ 3.28Å; Y63-F168 WeakPolarHBondContact OH-CZ 3.27Å; F136-F168 HydrophobicContact CE1-CD1 4.02Å; F136-F168 AromaticContact CE1-CE1 3.88Å; F136-F168 HydrophobicContact CE1-CE1 3.88Å; F136-F168 AromaticContact CZ-CD1 3.74Å; F136-F168 HydrophobicContact CZ-CD1 3.74Å; F136-F168 AromaticContact CZ-CE1 3.96Å; F136-F168 HydrophobicContact CZ-CE1 3.96Å; F145-F168 HydrophobicContact CE2-CB 4.09Å; F145-F168 HydrophobicContact CE2-CD1 4.02Å; F145-F168 AromaticContact CZ-CD1 3.69Å; F145-F168 HydrophobicContact CZ-CD1 3.69Å; F145-F168 HydrophobicContact CZ-CE1 4.43Å; I149-F168 HydrophobicContact CD1-CE1 4.11Å; I149-F168 HydrophobicContact CD1-CZ 3.58Å; I149-F168 HydrophobicContact CG1-CE1 4.42Å; I149-F168 HydrophobicContact CG1-CZ 3.97Å; F168-T196 WeakPolarHBondContact O-CA 3.49Å; F168-W197 HydrophobicContact CB-CD2 3.79Å; F168-W197 VanDerWaalsContact CB-CE2 3.5Å; F168-W197 HydrophobicContact CB-CE3 4.22Å; F168-W197 HydrophobicContact CB-CG 4.29Å; F168-W197 HydrophobicContact CB-CH2 4.15Å; F168-W197 HydrophobicContact CB-CZ2 3.71Å; F168-W197 HydrophobicContact CB-CZ3 4.37Å; F168-W197 AromaticContact CD2-NE1 3.81Å; F168-W197 HydrophobicContact CG-CZ2 4.25Å; F168-W197 AromaticContact CG-NE1 3.88Å; F168-W197 PolarHBondContact N-O 3.21Å; F168-W197 PolarHBondContact O-N 3.23Å; F168-W197 VanDerWaalsContact O-N 3.08Å; F168-N199 HydrophobicContact CE2-CB 4.08Å; F168-N199 WeakPolarHBondContact CE2-ND2 3.16Å |
| 169 | T | 98.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.8 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | F145 Y146 V194 Y195 T196 H420 | F145-T169 CarbonylContact C-O 3.58Å; F145-T169 VanDerWaalsContact CA-O 3.31Å; F145-T169 WeakPolarHBondContact CA-O 3.46Å; F145-T169 WeakPolarHBondContact CD2-O 3.49Å; Y146-T169 HydrophobicContact CE1-CG2 3.85Å; Y146-T169 HydrophobicContact CE2-CG2 3.93Å; Y146-T169 VanDerWaalsContact CZ-CG2 3.48Å; Y146-T169 PolarHBondContact N-O 2.87Å; Y146-T169 PolarHBondContact O-N 2.62Å; Y146-T169 WeakPolarHBondContact OH-CG2 3.44Å; T169-V194 HydrophobicContact CG2-CG1 3.81Å; T169-Y195 WeakPolarHBondContact CA-O 3.21Å; T169-T196 HydrophobicContact CG2-CG2 4.09Å; T169-H420 PolarHBondContact OG1-NE2 2.95Å |
| 170 | L | 98.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.5 | 168.3 | 175.3 | 63.9 | 0 | 0 | 0 | 108 | L70 I73 V86 F143 K144 F145 L172 V194 Y195 W197 | L70-L170 HydrophobicContact CD2-CD1 3.8Å; L70-L170 HydrophobicContact CD2-CD2 3.93Å; I73-L170 HydrophobicContact CD1-CD2 4.35Å; I73-L170 HydrophobicContact CG2-CD2 4.21Å; V86-L170 HydrophobicContact CG1-CD2 4.43Å; V86-L170 HydrophobicContact CG2-CD2 4Å; F143-L170 HydrophobicContact CB-CD1 4.1Å; F143-L170 HydrophobicContact CD2-CD1 4.32Å; F143-L170 HydrophobicContact CG-CD1 4.46Å; K144-L170 WeakPolarHBondContact O-CA 3.41Å; F145-L170 HydrophobicContact CB-CD1 4.24Å; F145-L170 HydrophobicContact CD2-CB 4.38Å; L170-L172 HydrophobicContact CD1-CD2 4.13Å; L170-L172 HydrophobicContact CD2-CD2 4.18Å; L170-L172 HydrophobicContact CG-CD2 3.96Å; L170-V194 CarbonylContact O-C 3.58Å; L170-V194 WeakPolarHBondContact O-CA 3.41Å; L170-Y195 PolarHBondContact N-O 2.75Å; L170-Y195 PolarHBondContact O-N 3.21Å; L170-W197 HydrophobicContact CB-CH2 4.3Å; L170-W197 HydrophobicContact CB-CZ3 3.99Å |
| 171 | E | 97 | Very high | 83 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119 | 176.3 | 177.3 | -178.8 | 131.5 | 0 | 0 | 108 | F143 K144 Y146 V191 V194 | F143-E171 CarbonylContact C-O 3.59Å; F143-E171 VanDerWaalsContact CA-O 3.26Å; F143-E171 WeakPolarHBondContact CA-O 3.4Å; K144-E171 HydrophobicContact CB-CB 4.32Å; K144-E171 PolarHBondContact N-O 2.76Å; K144-E171 IonicContact NZ-OE1 3.75Å; K144-E171 PolarHBondContact NZ-OE1 2.92Å; K144-E171 VanDerWaalsContact NZ-OE1 3.16Å; K144-E171 PolarHBondContact O-N 3Å; Y146-E171 HydrophobicContact CE1-CB 4.24Å; Y146-E171 PolarHBondContact OH-OE2 2.83Å; E171-V191 HydrophobicContact CG-CG1 3.95Å; E171-V194 HydrophobicContact CG-CG2 4.25Å |
| 172 | L | 95.6 | Very high | 81.6 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 137.8 | 174.4 | -52.9 | -174.5 | 0 | 0 | 0 | 109.2 | I73 T74 R82 F143 L170 G192 D193 Y195 | I73-L172 HydrophobicContact CG2-CD1 3.89Å; I73-L172 HydrophobicContact CG2-CD2 3.82Å; I73-L172 HydrophobicContact CG2-CG 4.48Å; T74-L172 HydrophobicContact CG2-CD2 4.11Å; R82-L172 VanDerWaalsContact CD-CD1 3.46Å; R82-L172 HydrophobicContact CG-CD1 4.46Å; F143-L172 HydrophobicContact CB-CD2 4.31Å; L170-L172 HydrophobicContact CD1-CD2 4.13Å; L170-L172 HydrophobicContact CD2-CD2 4.18Å; L170-L172 HydrophobicContact CG-CD2 3.96Å; L172-G192 VanDerWaalsContact O-CA 3.26Å; L172-G192 WeakPolarHBondContact O-CA 3.44Å; L172-G192 PolarHBondContact O-N 3.3Å; L172-D193 WeakPolarHBondContact CB-O 3.41Å; L172-D193 HydrophobicContact CD1-CB 4.27Å; L172-D193 WeakPolarHBondContact CG-O 3.02Å; L172-D193 PolarHBondContact N-O 3.21Å; L172-Y195 HydrophobicContact CD1-CE2 3.98Å; L172-Y195 HydrophobicContact CG-CE2 4.35Å |
| 173 | E | 90.2 | Very high | 80.1 | Confident | 34 Ų | 34 | 58 Ų | 58 | 16% | 0.159 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.2 | 178.5 | -67.4 | -177.8 | 150.3 | 0 | 0 | 108.7 | G142 K144 F189 | G142-E173 PolarHBondContact O-N 2.86Å; K144-E173 WeakPolarHBondContact CE-OE1 3.23Å; K144-E173 IonicContact NZ-OE1 2.72Å; K144-E173 PolarHBondContact NZ-OE1 2.99Å; E173-F189 HydrophobicContact CB-CB 3.96Å; E173-F189 HydrophobicContact CB-CD1 4.12Å; E173-F189 HydrophobicContact CB-CG 4.17Å; E173-F189 HydrophobicContact CG-CB 4.42Å |
| 174 | R | 76.2 | Confident | 78.7 | Confident | 124 Ų | 124 | 58.3 Ų | 58.3 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.4 | 175.1 | -69.3 | -173.5 | 179.6 | 167.5 | 1.9 | 109.5 | F189 S190 | R174-F189 WeakPolarHBondContact O-CA 3.26Å; R174-S190 PolarHBondContact N-O 2.67Å; R174-S190 PolarHBondContact O-N 3.31Å; R174-S190 PolarHBondContact O-OG 3.49Å |
| 175 | S | 66.2 | Low | 77.2 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 137.5 | 168.4 | 31.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 176 | T | 60.7 | Low | 75.5 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | trans | -69.2 | 147.1 | 170.7 | 58.3 | 0 | 0 | 0 | 0 | 109.3 | S178 D179 I188 | T176-S178 PolarHBondContact O-N 3.28Å; T176-S178 VanDerWaalsContact O-N 3.1Å; T176-S178 PolarHBondContact OG1-OG 3.49Å; T176-S178 VanDerWaalsContact OG1-OG 3.11Å; T176-D179 PolarHBondContact O-N 3.29Å; T176-D179 PolarHBondContact OG1-OD2 3.43Å; T176-I188 WeakPolarHBondContact CG2-O 3.28Å | ||
| 177 | P | 60.4 | Low | 73.8 | Confident | 122 Ų | 122 | 70.6 Ų | 70.6 | 79% | 0.792 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -53.9 | -32.6 | 177.7 | -26.7 | 33.9 | 0 | 0 | 0 | 113.3 | D179 | P177-D179 PolarHBondContact O-N 3.06Š|
| 178 | S | 59.8 | Low | 72 | Confident | 90 Ų | 90 | 74.3 Ų | 74.3 | 63% | 0.629 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -67.8 | -17.9 | 177.6 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | T176 | T176-S178 PolarHBondContact O-N 3.28Å; T176-S178 VanDerWaalsContact O-N 3.1Å; T176-S178 PolarHBondContact OG1-OG 3.49Å; T176-S178 VanDerWaalsContact OG1-OG 3.11Å |
| 179 | D | 62 | Low | 70.4 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 3% | 0.027 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -101.6 | 3.4 | -174.5 | -68.5 | -15.7 | 0 | 0 | 0 | 113.4 | T176 P177 Y181 K182 S187 I188 | T176-D179 PolarHBondContact O-N 3.29Å; T176-D179 PolarHBondContact OG1-OD2 3.43Å; P177-D179 PolarHBondContact O-N 3.06Å; D179-Y181 PolarHBondContact O-N 2.91Å; D179-K182 HydrophobicContact CB-CB 4.49Å; D179-K182 HydrophobicContact CB-CD 4.44Å; D179-K182 PolarHBondContact O-N 3.4Å; D179-K182 VanDerWaalsContact OD1-CD 3.27Å; D179-K182 WeakPolarHBondContact OD1-CD 3.37Å; D179-K182 VanDerWaalsContact OD1-CE 3.27Å; D179-K182 WeakPolarHBondContact OD1-CE 3.41Å; D179-K182 IonicContact OD1-NZ 3.6Å; D179-K182 PolarHBondContact OD1-NZ 3.37Å; D179-S187 WeakPolarHBondContact OD2-CA 3.32Å; D179-I188 WeakPolarHBondContact OD2-CA 3.37Å; D179-I188 PolarHBondContact OD2-N 3.18Å |
| 180 | Q | 62.1 | Low | 68.9 | Low | 153 Ų | 153 | 80 Ų | 80 | 72% | 0.715 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.4 | 178.9 | -167 | 175.3 | 19 | 0 | 0 | 113.3 | ||
| 181 | Y | 65.5 | Low | 67.7 | Low | 210 Ų | 210 | 83.8 Ų | 83.8 | 82% | 0.824 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 0.4 | 178.7 | -59.1 | -76.5 | 0 | 0 | 0 | 114.1 | D179 | D179-Y181 PolarHBondContact O-N 2.91Š|
| 182 | K | 59.7 | Low | 67.1 | Low | 96 Ų | 96 | 83.3 Ų | 83.3 | 42% | 0.417 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -90.7 | 150.6 | 179.7 | -72.2 | -173.3 | -170.1 | 157.1 | 0 | 111.6 | D179 | D179-K182 HydrophobicContact CB-CB 4.49Å; D179-K182 HydrophobicContact CB-CD 4.44Å; D179-K182 PolarHBondContact O-N 3.4Å; D179-K182 VanDerWaalsContact OD1-CD 3.27Å; D179-K182 WeakPolarHBondContact OD1-CD 3.37Å; D179-K182 VanDerWaalsContact OD1-CE 3.27Å; D179-K182 WeakPolarHBondContact OD1-CE 3.41Å; D179-K182 IonicContact OD1-NZ 3.6Å; D179-K182 PolarHBondContact OD1-NZ 3.37Å |
| 183 | P | 58.8 | Low | 67 | Low | 74 Ų | 74 | 83.9 Ų | 83.9 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | trans | -56 | 142.6 | 165.9 | -18.4 | 29.8 | 0 | 0 | 0 | 110.5 | E185 Q186 S187 | P183-E185 PolarHBondContact O-N 3.43Å; P183-Q186 PolarHBondContact O-N 3.25Å; P183-S187 PolarHBondContact O-N 3.38Å | ||
| 184 | A | 62.3 | Low | 67.4 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q186 S187 | A184-Q186 PolarHBondContact O-N 2.87Å; A184-S187 WeakPolarHBondContact CA-OG 3.47Å; A184-S187 PolarHBondContact O-OG 3Å |
| 185 | E | 61.6 | Low | 68.5 | Low | 196 Ų | 196 | 76.3 Ų | 76.3 | 92% | 0.916 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.6 | 176.7 | -61.8 | 176.1 | -179.2 | 0 | 0 | 113.2 | P183 | P183-E185 PolarHBondContact O-N 3.43Š|
| 186 | Q | 59.9 | Low | 70 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 61% | 0.607 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -7.1 | -178 | -63.7 | -179.5 | 7.4 | 0 | 0 | 113.5 | P183 A184 | P183-Q186 PolarHBondContact O-N 3.25Å; A184-Q186 PolarHBondContact O-N 2.87Å |
| 187 | S | 59 | Low | 71.8 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | trans | -74.4 | 130.1 | 177.9 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | D179 P183 A184 F189 | D179-S187 WeakPolarHBondContact OD2-CA 3.32Å; P183-S187 PolarHBondContact O-N 3.38Å; A184-S187 WeakPolarHBondContact CA-OG 3.47Å; A184-S187 PolarHBondContact O-OG 3Å; S187-F189 WeakPolarHBondContact O-CD2 3.43Å; S187-F189 WeakPolarHBondContact OG-CE2 3.43Å; S187-F189 WeakPolarHBondContact OG-CZ 3.29Å | ||
| 188 | I | 60.2 | Low | 73.5 | Confident | 119 Ų | 119 | 68.6 Ų | 68.6 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | trans | -82.2 | 114.5 | 170 | -58.2 | 172.8 | 0 | 0 | 0 | 107.3 | T176 D179 | T176-I188 WeakPolarHBondContact CG2-O 3.28Å; D179-I188 WeakPolarHBondContact OD2-CA 3.37Å; D179-I188 PolarHBondContact OD2-N 3.18Å | ||
| 189 | F | 64.7 | Low | 75.2 | Confident | 62 Ų | 62 | 65 Ų | 65 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 137 | 174.5 | -63.4 | -81.8 | 0 | 0 | 0 | 110.9 | T141 E173 R174 S187 | T141-F189 HydrophobicContact CG2-CZ 4.12Å; E173-F189 HydrophobicContact CB-CB 3.96Å; E173-F189 HydrophobicContact CB-CD1 4.12Å; E173-F189 HydrophobicContact CB-CG 4.17Å; E173-F189 HydrophobicContact CG-CB 4.42Å; R174-F189 WeakPolarHBondContact O-CA 3.26Å; S187-F189 WeakPolarHBondContact O-CD2 3.43Å; S187-F189 WeakPolarHBondContact OG-CE2 3.43Å; S187-F189 WeakPolarHBondContact OG-CZ 3.29Å |
| 190 | S | 67 | Low | 76.8 | Confident | 58 Ų | 58 | 65 Ų | 65 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 144.8 | 167.9 | 61.9 | 0 | 0 | 0 | 0 | 110 | R174 G192 | R174-S190 PolarHBondContact N-O 2.67Å; R174-S190 PolarHBondContact O-N 3.31Å; R174-S190 PolarHBondContact O-OG 3.49Å; S190-G192 PolarHBondContact O-N 3.29Å; S190-G192 VanDerWaalsContact O-N 3.16Å |
| 191 | V | 72.5 | Confident | 78.2 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 114.2 | 173.9 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | E171 V194 | E171-V191 HydrophobicContact CG-CG1 3.95Å; V191-V194 HydrophobicContact CG1-CG2 3.92Å |
| 192 | G | 85.3 | Confident | 79.4 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -135.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L172 S190 | L172-G192 VanDerWaalsContact O-CA 3.26Å; L172-G192 WeakPolarHBondContact O-CA 3.44Å; L172-G192 PolarHBondContact O-N 3.3Å; S190-G192 PolarHBondContact O-N 3.29Å; S190-G192 VanDerWaalsContact O-N 3.16Å |
| 193 | D | 94 | Very high | 80.8 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 10% | 0.096 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 137.9 | 179.2 | -73.5 | -4.6 | 0 | 0 | 0 | 111.3 | R82 L172 Y195 R223 | R82-D193 IonicContact CZ-OD2 3.3Å; R82-D193 IonicContact NH1-OD2 3.56Å; R82-D193 PolarHBondContact NH1-OD2 3.34Å; L172-D193 WeakPolarHBondContact CB-O 3.41Å; L172-D193 HydrophobicContact CD1-CB 4.27Å; L172-D193 WeakPolarHBondContact CG-O 3.02Å; L172-D193 PolarHBondContact N-O 3.21Å; D193-Y195 HydrophobicContact CB-CE2 3.78Å; D193-R223 WeakPolarHBondContact OD1-CB 3.31Å |
| 194 | V | 97.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.9 | 177.9 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | T169 L170 E171 V191 H222 E422 | T169-V194 HydrophobicContact CG2-CG1 3.81Å; L170-V194 CarbonylContact O-C 3.58Å; L170-V194 WeakPolarHBondContact O-CA 3.41Å; E171-V194 HydrophobicContact CG-CG2 4.25Å; V191-V194 HydrophobicContact CG1-CG2 3.92Å; V194-H222 PolarHBondContact O-CD2 2.97Å; V194-H222 PolarHBondContact O-N 2.82Å; V194-E422 HydrophobicContact CB-CG 3.96Å; V194-E422 HydrophobicContact CG1-CG 3.56Å; V194-E422 HydrophobicContact CG2-CG 4.42Å |
| 195 | Y | 98.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.3 | 177.4 | -58.9 | -89.6 | 0 | 0 | 0 | 110.4 | R82 I83 V86 T169 L170 L172 D193 I219 T220 | R82-Y195 VanDerWaalsContact CD-OH 3.26Å; R82-Y195 WeakPolarHBondContact CD-OH 3.24Å; R82-Y195 WeakPolarHBondContact CG-OH 3.38Å; I83-Y195 HydrophobicContact CB-CE1 4.01Å; I83-Y195 HydrophobicContact CD1-CD1 4.41Å; I83-Y195 HydrophobicContact CD1-CE1 4.3Å; I83-Y195 HydrophobicContact CG1-CD1 4.19Å; I83-Y195 HydrophobicContact CG1-CE1 4Å; V86-Y195 HydrophobicContact CG1-CD1 4.31Å; V86-Y195 HydrophobicContact CG1-CG 4.11Å; V86-Y195 HydrophobicContact CG2-CD1 4.16Å; V86-Y195 HydrophobicContact CG2-CD2 3.94Å; V86-Y195 HydrophobicContact CG2-CE1 4.26Å; V86-Y195 HydrophobicContact CG2-CE2 4.06Å; V86-Y195 HydrophobicContact CG2-CG 3.99Å; T169-Y195 WeakPolarHBondContact CA-O 3.21Å; L170-Y195 PolarHBondContact N-O 2.75Å; L170-Y195 PolarHBondContact O-N 3.21Å; L172-Y195 HydrophobicContact CD1-CE2 3.98Å; L172-Y195 HydrophobicContact CG-CE2 4.35Å; D193-Y195 HydrophobicContact CB-CE2 3.78Å; Y195-I219 HydrophobicContact CD1-CG2 4.5Å; Y195-T220 VanDerWaalsContact CA-O 3.25Å; Y195-T220 WeakPolarHBondContact CA-O 3.29Å |
| 196 | T | 98.6 | Very high | 82.7 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144.5 | 174.6 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | L167 F168 T169 I219 T220 H222 | L167-T196 HydrophobicContact CD2-CG2 4.37Å; F168-T196 WeakPolarHBondContact O-CA 3.49Å; T169-T196 HydrophobicContact CG2-CG2 4.09Å; T196-I219 WeakPolarHBondContact O-CA 3.22Å; T196-T220 PolarHBondContact N-O 3.42Å; T196-T220 PolarHBondContact O-N 2.85Å; T196-H222 VanDerWaalsContact CG2-NE2 3.31Å; T196-H222 WeakPolarHBondContact CG2-NE2 3.47Å; T196-H222 PolarHBondContact OG1-NE2 3.39Å |
| 197 | W | 98.4 | Very high | 82.8 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.011 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 163.6 | 171.6 | 67.7 | 100 | 0 | 0 | 0 | 112 | V86 F89 A90 F145 F168 L170 M217 E218 I219 | V86-W197 HydrophobicContact CG1-CZ3 4.2Å; F89-W197 AromaticContact CD1-CH2 3.95Å; F89-W197 HydrophobicContact CD1-CH2 3.95Å; F89-W197 HydrophobicContact CD1-CZ2 4.18Å; F89-W197 AromaticContact CE1-CH2 3.99Å; F89-W197 HydrophobicContact CE1-CH2 3.99Å; F89-W197 HydrophobicContact CE1-CZ2 4.18Å; A90-W197 HydrophobicContact CB-CD2 4.13Å; A90-W197 HydrophobicContact CB-CG 4.38Å; A90-W197 HydrophobicContact CB-CZ2 3.95Å; F145-W197 HydrophobicContact CD2-CH2 4.09Å; F145-W197 AromaticContact CE2-CH2 3.47Å; F145-W197 HydrophobicContact CE2-CH2 3.47Å; F145-W197 VanDerWaalsContact CE2-CH2 3.47Å; F145-W197 AromaticContact CE2-CZ2 3.67Å; F145-W197 HydrophobicContact CE2-CZ2 3.67Å; F145-W197 HydrophobicContact CE2-CZ3 4.49Å; F145-W197 HydrophobicContact CZ-CH2 4.36Å; F145-W197 HydrophobicContact CZ-CZ2 4.16Å; F168-W197 HydrophobicContact CB-CD2 3.79Å; F168-W197 VanDerWaalsContact CB-CE2 3.5Å; F168-W197 HydrophobicContact CB-CE3 4.22Å; F168-W197 HydrophobicContact CB-CG 4.29Å; F168-W197 HydrophobicContact CB-CH2 4.15Å; F168-W197 HydrophobicContact CB-CZ2 3.71Å; F168-W197 HydrophobicContact CB-CZ3 4.37Å; F168-W197 AromaticContact CD2-NE1 3.81Å; F168-W197 HydrophobicContact CG-CZ2 4.25Å; F168-W197 AromaticContact CG-NE1 3.88Å; F168-W197 PolarHBondContact N-O 3.21Å; F168-W197 PolarHBondContact O-N 3.23Å; F168-W197 VanDerWaalsContact O-N 3.08Å; L170-W197 HydrophobicContact CB-CH2 4.3Å; L170-W197 HydrophobicContact CB-CZ3 3.99Å; W197-M217 HydrophobicContact CB-CG 4.46Å; W197-E218 WeakPolarHBondContact CA-O 3.28Å; W197-E218 WeakPolarHBondContact CB-O 3.05Å; W197-I219 HydrophobicContact CB-CB 4.35Å; W197-I219 HydrophobicContact CB-CG1 3.77Å; W197-I219 HydrophobicContact CG-CG1 4.19Å |
| 198 | S | 97 | Very high | 82.6 | Confident | 56 Ų | 56 | 37.8 Ų | 37.8 | 39% | 0.392 | 21% | 0.211 | S | C | . | . | trans | -115.4 | 150.5 | 167.6 | -69.4 | 0 | 0 | 0 | 0 | 109.5 | G166 | G166-S198 WeakPolarHBondContact O-CB 3.16Å; G166-S198 PolarHBondContact O-OG 2.79Å | ||
| 199 | N | 94.9 | Very high | 82.6 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 8% | 0.08 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -81.3 | 159 | 177.8 | -87 | -8.3 | 0 | 0 | 0 | 112.7 | Y63 L94 P164 F168 M217 | Y63-N199 WeakPolarHBondContact CE1-ND2 3.31Å; Y63-N199 PolarHBondContact OH-ND2 3.17Å; L94-N199 HydrophobicContact CD2-CB 4.49Å; P164-N199 HydrophobicContact CB-CB 4.47Å; P164-N199 HydrophobicContact CG-CB 3.78Å; F168-N199 HydrophobicContact CE2-CB 4.08Å; F168-N199 WeakPolarHBondContact CE2-ND2 3.16Å; N199-M217 WeakPolarHBondContact OD1-CE 3.22Å |
| 200 | V | 94.8 | Very high | 83 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 160 | 178.9 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | L94 P164 K213 M217 F232 | L94-V200 HydrophobicContact CD1-CG2 4.05Å; P164-V200 WeakPolarHBondContact CD-O 3.35Å; P164-V200 WeakPolarHBondContact CG-O 3.47Å; V200-K213 HydrophobicContact CG2-CB 3.91Å; V200-K213 HydrophobicContact CG2-CD 4.2Å; V200-K213 HydrophobicContact CG2-CG 4.35Å; V200-M217 HydrophobicContact CG1-CB 4.02Å; V200-F232 HydrophobicContact CB-CD2 4.28Å; V200-F232 HydrophobicContact CB-CG 4.49Å; V200-F232 HydrophobicContact CG1-CD2 3.61Å; V200-F232 HydrophobicContact CG1-CE2 3.89Å; V200-F232 HydrophobicContact CG1-CG 4.27Å; V200-F232 HydrophobicContact CG2-CD1 4.02Å; V200-F232 HydrophobicContact CG2-CD2 3.95Å; V200-F232 HydrophobicContact CG2-CE1 4.1Å; V200-F232 HydrophobicContact CG2-CE2 4.07Å; V200-F232 HydrophobicContact CG2-CG 3.93Å; V200-F232 HydrophobicContact CG2-CZ 4.14Å |
| 201 | N | 92.8 | Very high | 83.6 | Confident | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 150.1 | -178.3 | -66.7 | 2.5 | 0 | 0 | 0 | 110.6 | E161 I162 I203 K213 E214 | E161-N201 HydrophobicContact CG-CB 4.47Å; E161-N201 PolarHBondContact OE1-ND2 3.04Å; I162-N201 WeakPolarHBondContact O-CA 3.34Å; N201-I203 HydrophobicContact CB-CD1 4.45Å; N201-K213 VanDerWaalsContact O-CA 3.32Å; N201-K213 WeakPolarHBondContact O-CA 3.4Å; N201-E214 PolarHBondContact N-O 2.7Å; N201-E214 VanDerWaalsContact N-O 3.12Å; N201-E214 PolarHBondContact O-N 3.3Å |
| 202 | T | 90.9 | Very high | 84.2 | Confident | 20 Ų | 20 | 29.8 Ų | 29.8 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.2 | 171.2 | -54.1 | 0 | 0 | 0 | 0 | 108.9 | I162 P211 F212 K213 | I162-T202 PolarHBondContact N-O 3.33Å; I162-T202 PolarHBondContact O-N 3.27Å; T202-P211 HydrophobicContact CG2-CB 3.73Å; T202-F212 CarbonylContact C-O 3.47Å; T202-F212 WeakPolarHBondContact CA-O 3.48Å; T202-K213 PolarHBondContact OG1-NZ 3.14Å |
| 203 | I | 87.4 | Confident | 84.5 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.1 | 179.6 | -49.5 | -58 | 0 | 0 | 0 | 109.2 | L160 E161 N201 N205 P211 F212 E214 | L160-I203 WeakPolarHBondContact O-CA 3.48Å; E161-I203 HydrophobicContact CB-CD1 3.72Å; E161-I203 HydrophobicContact CG-CD1 3.57Å; N201-I203 HydrophobicContact CB-CD1 4.45Å; I203-N205 WeakPolarHBondContact CG2-OD1 3.47Å; I203-P211 VanDerWaalsContact O-CA 3.24Å; I203-P211 WeakPolarHBondContact O-CA 3.24Å; I203-F212 HydrophobicContact CB-CD1 4.15Å; I203-F212 HydrophobicContact CB-CD2 4.26Å; I203-F212 HydrophobicContact CB-CE1 3.62Å; I203-F212 HydrophobicContact CB-CE2 3.74Å; I203-F212 HydrophobicContact CB-CG 4.45Å; I203-F212 HydrophobicContact CB-CZ 3.41Å; I203-F212 VanDerWaalsContact CB-CZ 3.41Å; I203-F212 HydrophobicContact CG1-CD2 4.42Å; I203-F212 HydrophobicContact CG1-CE2 3.77Å; I203-F212 HydrophobicContact CG1-CZ 3.85Å; I203-F212 HydrophobicContact CG2-CE1 3.64Å; I203-F212 HydrophobicContact CG2-CE2 4.3Å; I203-F212 HydrophobicContact CG2-CZ 3.49Å; I203-F212 VanDerWaalsContact CG2-CZ 3.49Å; I203-F212 PolarHBondContact N-O 3.07Å; I203-F212 PolarHBondContact O-N 2.75Å; I203-E214 HydrophobicContact CG1-CB 4.23Å |
| 204 | V | 81.9 | Confident | 84.3 | Confident | 17 Ų | 17 | 33.3 Ų | 33.3 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 101.5 | 176.5 | -166.6 | 0 | 0 | 0 | 0 | 108.4 | S159 L160 I162 P211 | S159-V204 CarbonylContact C-O 3.59Å; S159-V204 VanDerWaalsContact CA-O 3.28Å; S159-V204 WeakPolarHBondContact CA-O 3.35Å; L160-V204 HydrophobicContact CB-CB 4.29Å; L160-V204 PolarHBondContact N-O 3.09Å; L160-V204 PolarHBondContact O-N 2.87Å; I162-V204 HydrophobicContact CD1-CG2 4.31Å; V204-P211 HydrophobicContact CG1-CG 4.31Å; V204-P211 HydrophobicContact CG2-CB 4.08Å; V204-P211 HydrophobicContact CG2-CG 3.95Å |
| 205 | N | 75.4 | Confident | 84.1 | Confident | 45 Ų | 45 | 34.4 Ų | 34.4 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 133.7 | -179.8 | -75.4 | -12 | 0 | 0 | 0 | 111.8 | S159 I203 I207 I209 | S159-N205 WeakPolarHBondContact CB-OD1 3.44Å; S159-N205 PolarHBondContact OG-OD1 3.26Å; I203-N205 WeakPolarHBondContact CG2-OD1 3.47Å; N205-I207 PolarHBondContact O-N 2.91Å; N205-I209 HydrophobicContact CB-CB 4.36Å; N205-I209 HydrophobicContact CB-CD1 3.97Å; N205-I209 WeakPolarHBondContact O-CB 3.39Å; N205-I209 PolarHBondContact O-N 2.79Å |
| 206 | N | 66.9 | Low | 84 | Confident | 69 Ų | 69 | 38 Ų | 38 | 37% | 0.369 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 11.9 | -179.5 | -61.9 | -11.1 | 0 | 0 | 0 | 114.3 | Q158 I208 | Q158-N206 WeakPolarHBondContact CB-OD1 3.48Å; Q158-N206 VanDerWaalsContact O-CA 3.27Å; Q158-N206 WeakPolarHBondContact O-CA 3.45Å; Q158-N206 PolarHBondContact O-N 2.79Å; Q158-N206 PolarHBondContact OE1-OD1 2.94Å; N206-I208 WeakPolarHBondContact O-CG1 3.38Å; N206-I208 PolarHBondContact O-N 3.21Å |
| 207 | I | 60.8 | Low | 84 | Confident | 29 Ų | 29 | 37.5 Ų | 37.5 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -5.5 | -175.2 | -50.2 | -162.2 | 0 | 0 | 0 | 115 | A29 W30 L33 L160 N205 | A29-I207 HydrophobicContact CB-CG2 3.76Å; W30-I207 HydrophobicContact CB-CD1 4.49Å; W30-I207 HydrophobicContact CE3-CD1 3.53Å; W30-I207 HydrophobicContact CE3-CG1 3.92Å; W30-I207 HydrophobicContact CZ3-CD1 4.2Å; L33-I207 HydrophobicContact CB-CD1 4.3Å; L33-I207 HydrophobicContact CD1-CD1 3.1Å; L33-I207 HydrophobicContact CG-CD1 4.3Å; L160-I207 HydrophobicContact CD1-CD1 3.91Å; L160-I207 HydrophobicContact CD1-CG1 4.45Å; L160-I207 HydrophobicContact CG-CD1 4.16Å; N205-I207 PolarHBondContact O-N 2.91Å |
| 208 | I | 55.4 | Low | 84 | Confident | 130 Ų | 130 | 41.1 Ų | 41.1 | 67% | 0.667 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -25.5 | -177.8 | -62.2 | 163.9 | 0 | 0 | 0 | 110.9 | N206 | N206-I208 WeakPolarHBondContact O-CG1 3.38Å; N206-I208 PolarHBondContact O-N 3.21Å |
| 209 | I | 60.6 | Low | 84 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 26% | 0.256 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -81.4 | 142 | -179.3 | -57.6 | 179.1 | 0 | 0 | 0 | 110.1 | N205 P211 | N205-I209 HydrophobicContact CB-CB 4.36Å; N205-I209 HydrophobicContact CB-CD1 3.97Å; N205-I209 WeakPolarHBondContact O-CB 3.39Å; N205-I209 PolarHBondContact O-N 2.79Å; I209-P211 WeakPolarHBondContact O-CD 3.32Å |
| 210 | T | 71.4 | Confident | 84.2 | Confident | 61 Ų | 61 | 39 Ų | 39 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -49.5 | 124.2 | 170.4 | -48.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 211 | P | 81 | Confident | 84.4 | Confident | 29 Ų | 29 | 38.9 Ų | 38.9 | 19% | 0.188 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -54.3 | 142.7 | 177 | -26 | 31.3 | 0 | 0 | 0 | 111.8 | L101 T202 I203 V204 I209 | L101-P211 HydrophobicContact CD2-CG 3.75Å; T202-P211 HydrophobicContact CG2-CB 3.73Å; I203-P211 VanDerWaalsContact O-CA 3.24Å; I203-P211 WeakPolarHBondContact O-CA 3.24Å; V204-P211 HydrophobicContact CG1-CG 4.31Å; V204-P211 HydrophobicContact CG2-CB 4.08Å; V204-P211 HydrophobicContact CG2-CG 3.95Å; I209-P211 WeakPolarHBondContact O-CD 3.32Å |
| 212 | F | 85.7 | Confident | 84.6 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 162.7 | 172.3 | 66 | -86.4 | 0 | 0 | 0 | 111 | T202 I203 E214 P234 P235 | T202-F212 CarbonylContact C-O 3.47Å; T202-F212 WeakPolarHBondContact CA-O 3.48Å; I203-F212 HydrophobicContact CB-CD1 4.15Å; I203-F212 HydrophobicContact CB-CD2 4.26Å; I203-F212 HydrophobicContact CB-CE1 3.62Å; I203-F212 HydrophobicContact CB-CE2 3.74Å; I203-F212 HydrophobicContact CB-CG 4.45Å; I203-F212 HydrophobicContact CB-CZ 3.41Å; I203-F212 VanDerWaalsContact CB-CZ 3.41Å; I203-F212 HydrophobicContact CG1-CD2 4.42Å; I203-F212 HydrophobicContact CG1-CE2 3.77Å; I203-F212 HydrophobicContact CG1-CZ 3.85Å; I203-F212 HydrophobicContact CG2-CE1 3.64Å; I203-F212 HydrophobicContact CG2-CE2 4.3Å; I203-F212 HydrophobicContact CG2-CZ 3.49Å; I203-F212 VanDerWaalsContact CG2-CZ 3.49Å; I203-F212 PolarHBondContact N-O 3.07Å; I203-F212 PolarHBondContact O-N 2.75Å; F212-E214 HydrophobicContact CD2-CB 4.42Å; F212-E214 HydrophobicContact CE2-CB 4.16Å; F212-P234 HydrophobicContact CE2-CB 3.95Å; F212-P235 HydrophobicContact CE1-CG 4.38Å; F212-P235 HydrophobicContact CZ-CG 4.41Å |
| 213 | K | 89.6 | Confident | 84.7 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 139.6 | 177.5 | -60.7 | -63.3 | -176.9 | 173 | 0 | 109.2 | V200 N201 T202 F232 W266 | V200-K213 HydrophobicContact CG2-CB 3.91Å; V200-K213 HydrophobicContact CG2-CD 4.2Å; V200-K213 HydrophobicContact CG2-CG 4.35Å; N201-K213 VanDerWaalsContact O-CA 3.32Å; N201-K213 WeakPolarHBondContact O-CA 3.4Å; T202-K213 PolarHBondContact OG1-NZ 3.14Å; K213-F232 HydrophobicContact CB-CB 4.28Å; K213-F232 HydrophobicContact CB-CD1 3.57Å; K213-F232 HydrophobicContact CB-CE1 4.26Å; K213-F232 HydrophobicContact CB-CG 4.22Å; K213-F232 HydrophobicContact CG-CD1 4.35Å; K213-W266 HydrophobicContact CB-CD2 4.42Å; K213-W266 HydrophobicContact CG-CD2 3.72Å; K213-W266 HydrophobicContact CG-CE3 3.93Å; K213-W266 HydrophobicContact CG-CG 4.31Å; K213-W266 HydrophobicContact CG-CH2 4.06Å; K213-W266 HydrophobicContact CG-CZ2 3.86Å; K213-W266 HydrophobicContact CG-CZ3 4.07Å |
| 214 | E | 90 | Very high | 85 | Confident | 75 Ų | 75 | 45.3 Ų | 45.3 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 140.5 | 179 | -178.9 | 176 | -155.4 | 0 | 0 | 110.7 | N201 I203 F212 P234 | N201-E214 PolarHBondContact N-O 2.7Å; N201-E214 VanDerWaalsContact N-O 3.12Å; N201-E214 PolarHBondContact O-N 3.3Å; I203-E214 HydrophobicContact CG1-CB 4.23Å; F212-E214 HydrophobicContact CD2-CB 4.42Å; F212-E214 HydrophobicContact CE2-CB 4.16Å; E214-P234 HydrophobicContact CG-CB 4.49Å |
| 215 | G | 93.5 | Very high | 85.7 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 24% | 0.237 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.4 | -162.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q231 F232 | G215-Q231 PolarHBondContact O-NE2 3.03Å; G215-Q231 VanDerWaalsContact O-NE2 3.17Å; G215-F232 PolarHBondContact N-O 2.78Å; G215-F232 PolarHBondContact O-N 2.82Å |
| 216 | T | 96.3 | Very high | 86.8 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 45% | 0.454 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.7 | -174.6 | -50.8 | 0 | 0 | 0 | 0 | 109.6 | V229 L230 Q231 | T216-V229 HydrophobicContact CG2-CG1 3.45Å; T216-V229 VanDerWaalsContact CG2-CG1 3.45Å; T216-L230 WeakPolarHBondContact CA-O 3.36Å; T216-Q231 PolarHBondContact OG1-OE1 3.03Å |
| 217 | M | 98.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121 | 166.6 | 179.8 | -178.8 | -74.9 | 0 | 0 | 108.1 | A90 L94 W197 N199 V200 I219 V229 L230 F232 | A90-M217 HydrophobicContact CB-SD 3.87Å; L94-M217 HydrophobicContact CD1-CE 3.81Å; L94-M217 HydrophobicContact CG-CE 4.38Å; W197-M217 HydrophobicContact CB-CG 4.46Å; N199-M217 WeakPolarHBondContact OD1-CE 3.22Å; V200-M217 HydrophobicContact CG1-CB 4.02Å; M217-I219 HydrophobicContact CG-CG1 4.25Å; M217-I219 HydrophobicContact SD-CD1 4.34Å; M217-I219 HydrophobicContact SD-CG1 4.4Å; M217-V229 WeakPolarHBondContact O-CA 3.49Å; M217-L230 HydrophobicContact CB-CB 4.37Å; M217-L230 PolarHBondContact N-O 2.76Å; M217-L230 PolarHBondContact O-N 2.79Å; M217-F232 HydrophobicContact CB-CE2 3.76Å; M217-F232 HydrophobicContact CE-CE2 4.45Å; M217-F232 HydrophobicContact CE-CZ 4.31Å |
| 218 | E | 98.4 | Very high | 90.1 | Very high | 79 Ų | 79 | 43 Ų | 43 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.6 | 172.8 | 178.6 | 171.4 | 142.8 | 0 | 0 | 109.2 | W197 K227 C228 V229 | W197-E218 WeakPolarHBondContact CA-O 3.28Å; W197-E218 WeakPolarHBondContact CB-O 3.05Å; E218-K227 WeakPolarHBondContact OE1-CD 3.48Å; E218-K227 WeakPolarHBondContact OE1-CE 3.12Å; E218-K227 IonicContact OE1-NZ 3.49Å; E218-K227 PolarHBondContact OE1-NZ 2.92Å; E218-C228 WeakPolarHBondContact CA-O 3.37Å; E218-V229 HydrophobicContact CB-CG2 4.48Å; E218-V229 HydrophobicContact CG-CG2 4.1Å |
| 219 | I | 98.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.6 | 172.3 | -56.4 | 160.6 | 0 | 0 | 0 | 107.1 | I83 V86 A87 A90 Y195 T196 W197 M217 K227 C228 | I83-I219 HydrophobicContact CD1-CG2 4.33Å; I83-I219 HydrophobicContact CG1-CG2 4.17Å; V86-I219 HydrophobicContact CG1-CG2 3.77Å; A87-I219 HydrophobicContact CB-CD1 3.6Å; A90-I219 HydrophobicContact CB-CD1 4.03Å; Y195-I219 HydrophobicContact CD1-CG2 4.5Å; T196-I219 WeakPolarHBondContact O-CA 3.22Å; W197-I219 HydrophobicContact CB-CB 4.35Å; W197-I219 HydrophobicContact CB-CG1 3.77Å; W197-I219 HydrophobicContact CG-CG1 4.19Å; M217-I219 HydrophobicContact CG-CG1 4.25Å; M217-I219 HydrophobicContact SD-CD1 4.34Å; M217-I219 HydrophobicContact SD-CG1 4.4Å; I219-K227 CarbonylContact O-C 3.48Å; I219-K227 VanDerWaalsContact O-CA 3.3Å; I219-K227 WeakPolarHBondContact O-CA 3.43Å; I219-C228 HydrophobicContact CB-CB 4.16Å; I219-C228 HydrophobicContact CD1-CB 4.36Å; I219-C228 PolarHBondContact N-O 2.98Å; I219-C228 PolarHBondContact O-N 3.12Å |
| 220 | T | 98.6 | Very high | 94 | Very high | 26 Ų | 26 | 36.7 Ų | 36.7 | 16% | 0.16 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.8 | 178.9 | -63.1 | 0 | 0 | 0 | 0 | 109.6 | Y195 T196 | Y195-T220 VanDerWaalsContact CA-O 3.25Å; Y195-T220 WeakPolarHBondContact CA-O 3.29Å; T196-T220 PolarHBondContact N-O 3.42Å; T196-T220 PolarHBondContact O-N 2.85Å |
| 221 | G | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 107.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | R223 G225 L226 | G221-R223 PolarHBondContact O-N 2.98Å; G221-G225 WeakPolarHBondContact O-CA 3.19Å; G221-G225 PolarHBondContact O-N 3.17Å; G221-L226 PolarHBondContact N-O 2.95Å |
| 222 | H | 96.9 | Very high | 95.7 | Very high | 54 Ų | 54 | 35.8 Ų | 35.8 | 25% | 0.25 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -32.8 | -169.5 | -70.2 | -76.8 | 0 | 0 | 0 | 113.7 | V194 T196 E422 | V194-H222 PolarHBondContact O-CD2 2.97Å; V194-H222 PolarHBondContact O-N 2.82Å; T196-H222 VanDerWaalsContact CG2-NE2 3.31Å; T196-H222 WeakPolarHBondContact CG2-NE2 3.47Å; T196-H222 PolarHBondContact OG1-NE2 3.39Å; H222-E422 HydrophobicContact CB-CG 4.37Å; H222-E422 WeakPolarHBondContact CB-OE2 3.46Å; H222-E422 IonicContact CG-OE2 3Å |
| 223 | R | 93.4 | Very high | 95.4 | Very high | 117 Ų | 117 | 38.3 Ų | 38.3 | 44% | 0.442 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -39.9 | 179.4 | -59.1 | -61.3 | 177.2 | -92.1 | -6.8 | 113 | D193 G221 E422 | D193-R223 WeakPolarHBondContact OD1-CB 3.31Å; G221-R223 PolarHBondContact O-N 2.98Å; R223-E422 IonicContact CZ-OE1 2.56Å; R223-E422 IonicContact CZ-OE2 3.93Å; R223-E422 IonicContact NH1-OE1 2.73Å; R223-E422 PolarHBondContact NH1-OE1 3.35Å; R223-E422 VanDerWaalsContact NH1-OE1 3.09Å; R223-E422 IonicContact NH1-OE2 2.76Å; R223-E422 PolarHBondContact NH1-OE2 3.03Å; R223-E422 IonicContact NH2-OE1 3.49Å; R223-E422 PolarHBondContact NH2-OE1 3.29Å; R223-E422 IonicContact NH2-OE2 3.68Å |
| 224 | S | 94.5 | Very high | 94.5 | Very high | 36 Ų | 36 | 39.5 Ų | 39.5 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -18 | -179.7 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | L226 | S224-L226 PolarHBondContact O-N 3.43Å; S224-L226 PolarHBondContact OG-N 3.08Å |
| 225 | G | 96 | Very high | 93.3 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | trans | 68.9 | 6.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G221 | G221-G225 WeakPolarHBondContact O-CA 3.19Å; G221-G225 PolarHBondContact O-N 3.17Å | ||
| 226 | L | 98.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | trans | -77.4 | 146.7 | 176.9 | -63.4 | 179 | 0 | 0 | 0 | 110.8 | P79 V80 I83 G221 S224 T252 N253 I259 | P79-L226 HydrophobicContact CB-CD1 3.92Å; P79-L226 WeakPolarHBondContact O-CD1 3.17Å; V80-L226 HydrophobicContact CG2-CD1 3.88Å; I83-L226 HydrophobicContact CD1-CB 4.02Å; I83-L226 HydrophobicContact CG2-CB 4.43Å; I83-L226 HydrophobicContact CG2-CD1 4.09Å; G221-L226 PolarHBondContact N-O 2.95Å; S224-L226 PolarHBondContact O-N 3.43Å; S224-L226 PolarHBondContact OG-N 3.08Å; L226-T252 WeakPolarHBondContact CA-O 3.46Å; L226-N253 HydrophobicContact CD2-CB 4.22Å; L226-I259 HydrophobicContact CD2-CD1 3.57Å | ||
| 227 | K | 98.6 | Very high | 89.6 | Confident | 82 Ų | 82 | 40.7 Ų | 40.7 | 36% | 0.357 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.2 | 172 | -64.9 | -173.3 | 170.5 | -155.1 | 0 | 110.3 | E218 I219 I251 T252 | E218-K227 WeakPolarHBondContact OE1-CD 3.48Å; E218-K227 WeakPolarHBondContact OE1-CE 3.12Å; E218-K227 IonicContact OE1-NZ 3.49Å; E218-K227 PolarHBondContact OE1-NZ 2.92Å; I219-K227 CarbonylContact O-C 3.48Å; I219-K227 VanDerWaalsContact O-CA 3.3Å; I219-K227 WeakPolarHBondContact O-CA 3.43Å; K227-I251 CarbonylContact O-C 3.59Å; K227-I251 WeakPolarHBondContact O-CA 3.23Å; K227-T252 PolarHBondContact N-O 3.2Å; K227-T252 PolarHBondContact O-N 2.95Å |
| 228 | C | 98.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.4 | 166.2 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | I83 E218 I219 Y250 I251 | I83-C228 HydrophobicContact CD1-CB 4.17Å; I83-C228 HydrophobicContact CG1-CB 4.19Å; E218-C228 WeakPolarHBondContact CA-O 3.37Å; I219-C228 HydrophobicContact CB-CB 4.16Å; I219-C228 HydrophobicContact CD1-CB 4.36Å; I219-C228 PolarHBondContact N-O 2.98Å; I219-C228 PolarHBondContact O-N 3.12Å; C228-Y250 WeakPolarHBondContact CA-O 3.16Å; C228-I251 HydrophobicContact CB-CG1 3.82Å |
| 229 | V | 98.6 | Very high | 84.9 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 113.4 | -179.3 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | T216 M217 E218 G249 Y250 | T216-V229 HydrophobicContact CG2-CG1 3.45Å; T216-V229 VanDerWaalsContact CG2-CG1 3.45Å; M217-V229 WeakPolarHBondContact O-CA 3.49Å; E218-V229 HydrophobicContact CB-CG2 4.48Å; E218-V229 HydrophobicContact CG-CG2 4.1Å; V229-G249 CarbonylContact O-C 3.51Å; V229-G249 WeakPolarHBondContact O-CA 3.4Å; V229-Y250 PolarHBondContact N-O 3.01Å; V229-Y250 PolarHBondContact O-N 3.21Å; V229-Y250 VanDerWaalsContact O-N 3.08Å |
| 230 | L | 98.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.7 | -178.4 | -61.7 | 179.4 | 0 | 0 | 0 | 110.6 | A87 V91 T216 M217 F232 I247 L262 | A87-L230 HydrophobicContact CB-CD1 4.43Å; V91-L230 HydrophobicContact CG2-CD1 3.53Å; T216-L230 WeakPolarHBondContact CA-O 3.36Å; M217-L230 HydrophobicContact CB-CB 4.37Å; M217-L230 PolarHBondContact N-O 2.76Å; M217-L230 PolarHBondContact O-N 2.79Å; L230-F232 HydrophobicContact CB-CE2 4.18Å; L230-I247 HydrophobicContact CB-CG2 3.78Å; L230-I247 HydrophobicContact CD1-CG2 4.31Å; L230-I247 HydrophobicContact CD2-CG2 4.13Å; L230-I247 HydrophobicContact CG-CG2 4.3Å; L230-L262 HydrophobicContact CD2-CB 3.74Å; L230-L262 HydrophobicContact CD2-CD2 4.28Å; L230-L262 HydrophobicContact CD2-CG 4.48Å |
| 231 | Q | 95.8 | Very high | 80.2 | Confident | 72 Ų | 72 | 56 Ų | 56 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.1 | 175.8 | -169.2 | 64.5 | 38.1 | 0 | 0 | 110.5 | G215 T216 K233 I247 Q248 | G215-Q231 PolarHBondContact O-NE2 3.03Å; G215-Q231 VanDerWaalsContact O-NE2 3.17Å; T216-Q231 PolarHBondContact OG1-OE1 3.03Å; Q231-K233 HydrophobicContact CG-CG 4.3Å; Q231-I247 WeakPolarHBondContact O-CA 3.45Å; Q231-Q248 PolarHBondContact N-O 3.12Å; Q231-Q248 PolarHBondContact O-N 2.86Å |
| 232 | F | 92.7 | Very high | 78.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 112.6 | 170.3 | -65.9 | -106.3 | 0 | 0 | 0 | 107.4 | V91 L94 V200 K213 G215 M217 L230 I247 W266 | V91-F232 HydrophobicContact CG2-CZ 4.48Å; L94-F232 HydrophobicContact CD1-CE1 3.45Å; L94-F232 VanDerWaalsContact CD1-CE1 3.45Å; L94-F232 HydrophobicContact CD1-CE2 4.5Å; L94-F232 HydrophobicContact CD1-CZ 3.42Å; L94-F232 VanDerWaalsContact CD1-CZ 3.42Å; V200-F232 HydrophobicContact CB-CD2 4.28Å; V200-F232 HydrophobicContact CB-CG 4.49Å; V200-F232 HydrophobicContact CG1-CD2 3.61Å; V200-F232 HydrophobicContact CG1-CE2 3.89Å; V200-F232 HydrophobicContact CG1-CG 4.27Å; V200-F232 HydrophobicContact CG2-CD1 4.02Å; V200-F232 HydrophobicContact CG2-CD2 3.95Å; V200-F232 HydrophobicContact CG2-CE1 4.1Å; V200-F232 HydrophobicContact CG2-CE2 4.07Å; V200-F232 HydrophobicContact CG2-CG 3.93Å; V200-F232 HydrophobicContact CG2-CZ 4.14Å; K213-F232 HydrophobicContact CB-CB 4.28Å; K213-F232 HydrophobicContact CB-CD1 3.57Å; K213-F232 HydrophobicContact CB-CE1 4.26Å; K213-F232 HydrophobicContact CB-CG 4.22Å; K213-F232 HydrophobicContact CG-CD1 4.35Å; G215-F232 PolarHBondContact N-O 2.78Å; G215-F232 PolarHBondContact O-N 2.82Å; M217-F232 HydrophobicContact CB-CE2 3.76Å; M217-F232 HydrophobicContact CE-CE2 4.45Å; M217-F232 HydrophobicContact CE-CZ 4.31Å; L230-F232 HydrophobicContact CB-CE2 4.18Å; F232-I247 HydrophobicContact CD1-CD1 4.3Å; F232-I247 HydrophobicContact CD1-CG1 3.76Å; F232-I247 HydrophobicContact CE1-CD1 3.59Å; F232-I247 HydrophobicContact CE1-CG1 3.57Å; F232-I247 HydrophobicContact CE2-CG2 4.41Å; F232-I247 HydrophobicContact CG-CG1 4.4Å; F232-I247 HydrophobicContact CZ-CD1 3.81Å; F232-I247 HydrophobicContact CZ-CG1 4.01Å; F232-I247 HydrophobicContact CZ-CG2 4.47Å; F232-W266 HydrophobicContact CD1-CB 4.32Å; F232-W266 AromaticContact CD1-CD1 3.97Å; F232-W266 HydrophobicContact CD1-CG 4.26Å; F232-W266 HydrophobicContact CE1-CB 3.77Å; F232-W266 HydrophobicContact CE1-CG 4.14Å |
| 233 | K | 79.3 | Confident | 76.3 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 28% | 0.283 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 136 | -176 | -70.7 | -176.7 | 177.5 | 175.6 | 0 | 110.7 | Q231 | Q231-K233 HydrophobicContact CG-CG 4.3Š|
| 234 | P | 70.5 | Confident | 75 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 31% | 0.312 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 162.1 | 168.2 | 31.4 | -34.9 | 0 | 0 | 0 | 110.3 | F212 E214 T236 | F212-P234 HydrophobicContact CE2-CB 3.95Å; E214-P234 HydrophobicContact CG-CB 4.49Å; P234-T236 PolarHBondContact O-N 3.37Å |
| 235 | P | 65.9 | Low | 74.4 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 124.4 | 166.7 | 11.2 | -20.1 | 0 | 0 | 0 | 111.7 | F212 R244 | F212-P235 HydrophobicContact CE1-CG 4.38Å; F212-P235 HydrophobicContact CZ-CG 4.41Å; P235-R244 HydrophobicContact CB-CG 3.44Å; P235-R244 VanDerWaalsContact CB-CG 3.44Å; P235-R244 HydrophobicContact CG-CG 3.71Å |
| 236 | T | 59.9 | Low | 74 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 31% | 0.307 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 125.2 | 168 | -40.5 | 0 | 0 | 0 | 0 | 109.7 | P234 L238 F239 G240 E243 | P234-T236 PolarHBondContact O-N 3.37Å; T236-L238 HydrophobicContact CG2-CB 4.39Å; T236-L238 PolarHBondContact O-N 3.16Å; T236-F239 HydrophobicContact CG2-CD2 3.76Å; T236-F239 HydrophobicContact CG2-CE2 4.36Å; T236-F239 PolarHBondContact O-N 3.1Å; T236-F239 VanDerWaalsContact O-N 3.14Å; T236-G240 PolarHBondContact O-N 3.33Å; T236-E243 PolarHBondContact OG1-OE2 3.41Å; T236-E243 VanDerWaalsContact OG1-OE2 3.04Å |
| 237 | A | 52.1 | Low | 73.7 | Confident | 110 Ų | 110 | 54.7 Ų | 54.7 | 91% | 0.909 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 238 | L | 48.9 | Very low | 73.5 | Confident | 152 Ų | 152 | 52.9 Ų | 52.9 | 80% | 0.796 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -18.3 | -179.4 | -66.4 | 170.4 | 0 | 0 | 0 | 114.4 | T236 | T236-L238 HydrophobicContact CG2-CB 4.39Å; T236-L238 PolarHBondContact O-N 3.16Å |
| 239 | F | 47.9 | Very low | 73.4 | Confident | 128 Ų | 128 | 53.2 Ų | 53.2 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | 13.6 | -171.2 | -62.2 | -68.5 | 0 | 0 | 0 | 114.5 | T236 | T236-F239 HydrophobicContact CG2-CD2 3.76Å; T236-F239 HydrophobicContact CG2-CE2 4.36Å; T236-F239 PolarHBondContact O-N 3.1Å; T236-F239 VanDerWaalsContact O-N 3.14Å |
| 240 | G | 48.5 | Very low | 73.4 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 36% | 0.361 | 29% | 0.292 | S | S | . | . | trans | 76.4 | 170.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115 | T236 S242 | T236-G240 PolarHBondContact O-N 3.33Å; G240-S242 PolarHBondContact O-N 2.87Å; G240-S242 VanDerWaalsContact O-N 3.08Å | ||
| 241 | N | 52.2 | Low | 73.5 | Confident | 111 Ų | 111 | 53.1 Ų | 53.1 | 59% | 0.594 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -65.2 | -13.2 | -171.4 | -74.1 | -17.8 | 0 | 0 | 0 | 115.2 | E243 R244 | N241-E243 PolarHBondContact O-N 2.68Å; N241-R244 VanDerWaalsContact O-CB 3.31Å; N241-R244 WeakPolarHBondContact O-CB 3.39Å; N241-R244 WeakPolarHBondContact O-CD 3.46Å; N241-R244 WeakPolarHBondContact O-CG 3.43Å; N241-R244 PolarHBondContact O-N 2.77Å; N241-R244 PolarHBondContact OD1-NE 3.24Å; N241-R244 PolarHBondContact OD1-NH2 3.03Å |
| 242 | S | 52.2 | Low | 73.6 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -74 | -21.4 | -172 | 32.7 | 0 | 0 | 0 | 0 | 114.4 | G240 R244 F290 | G240-S242 PolarHBondContact O-N 2.87Å; G240-S242 VanDerWaalsContact O-N 3.08Å; S242-R244 VanDerWaalsContact C-N 3.3Å; S242-R244 PolarHBondContact O-N 2.79Å; S242-F290 WeakPolarHBondContact OG-CD1 3.47Å; S242-F290 VanDerWaalsContact OG-CE1 3.24Å; S242-F290 WeakPolarHBondContact OG-CE1 3.32Å |
| 243 | E | 59.6 | Low | 73.8 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -78.1 | -11.7 | 174.1 | -74.5 | -163.4 | 156.7 | 0 | 0 | 114.1 | T236 N241 R245 S246 F290 | T236-E243 PolarHBondContact OG1-OE2 3.41Å; T236-E243 VanDerWaalsContact OG1-OE2 3.04Å; N241-E243 PolarHBondContact O-N 2.68Å; E243-R245 PolarHBondContact O-N 2.68Å; E243-S246 WeakPolarHBondContact O-CB 3.41Å; E243-S246 PolarHBondContact O-N 3.09Å; E243-F290 HydrophobicContact CG-CE1 3.53Å; E243-F290 HydrophobicContact CG-CE2 4.37Å; E243-F290 HydrophobicContact CG-CZ 3.21Å; E243-F290 WeakPolarHBondContact OE1-CZ 3.31Å |
| 244 | R | 66.6 | Low | 74.5 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -53.3 | -20.7 | -175.1 | -75.4 | 178.7 | -175.3 | -160.9 | 1.9 | 114.6 | P235 N241 S242 | P235-R244 HydrophobicContact CB-CG 3.44Å; P235-R244 VanDerWaalsContact CB-CG 3.44Å; P235-R244 HydrophobicContact CG-CG 3.71Å; N241-R244 VanDerWaalsContact O-CB 3.31Å; N241-R244 WeakPolarHBondContact O-CB 3.39Å; N241-R244 WeakPolarHBondContact O-CD 3.46Å; N241-R244 WeakPolarHBondContact O-CG 3.43Å; N241-R244 PolarHBondContact O-N 2.77Å; N241-R244 PolarHBondContact OD1-NE 3.24Å; N241-R244 PolarHBondContact OD1-NH2 3.03Å; S242-R244 VanDerWaalsContact C-N 3.3Å; S242-R244 PolarHBondContact O-N 2.79Å |
| 245 | R | 82.3 | Confident | 75.7 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -117.4 | 0.8 | -172.9 | -53.6 | 174.8 | -175.2 | 175.7 | 2.2 | 113.6 | E243 D265 W266 T267 | E243-R245 PolarHBondContact O-N 2.68Å; R245-D265 VanDerWaalsContact CB-CG 3.47Å; R245-D265 VanDerWaalsContact CB-OD1 3.3Å; R245-D265 WeakPolarHBondContact CB-OD1 3.33Å; R245-D265 VanDerWaalsContact CB-OD2 3.29Å; R245-D265 WeakPolarHBondContact CB-OD2 3.41Å; R245-D265 CarbonylContact O-C 3.58Å; R245-D265 VanDerWaalsContact O-CA 3.24Å; R245-D265 WeakPolarHBondContact O-CA 3.48Å; R245-W266 PolarHBondContact O-N 2.77Å; R245-T267 HydrophobicContact CB-CG2 4.42Å; R245-T267 WeakPolarHBondContact CD-OG1 3.39Å; R245-T267 HydrophobicContact CG-CG2 4.09Å |
| 246 | S | 87.3 | Confident | 77.1 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 133.5 | -176.5 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | E243 | E243-S246 WeakPolarHBondContact O-CB 3.41Å; E243-S246 PolarHBondContact O-N 3.09Å |
| 247 | I | 92.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142.4 | 161.5 | -52 | 164.3 | 0 | 0 | 0 | 108.1 | V91 L230 Q231 F232 Y263 G264 W266 | V91-I247 HydrophobicContact CB-CD1 4.42Å; V91-I247 HydrophobicContact CG1-CD1 3.5Å; V91-I247 VanDerWaalsContact CG1-CD1 3.5Å; V91-I247 HydrophobicContact CG2-CD1 3.96Å; L230-I247 HydrophobicContact CB-CG2 3.78Å; L230-I247 HydrophobicContact CD1-CG2 4.31Å; L230-I247 HydrophobicContact CD2-CG2 4.13Å; L230-I247 HydrophobicContact CG-CG2 4.3Å; Q231-I247 WeakPolarHBondContact O-CA 3.45Å; F232-I247 HydrophobicContact CD1-CD1 4.3Å; F232-I247 HydrophobicContact CD1-CG1 3.76Å; F232-I247 HydrophobicContact CE1-CD1 3.59Å; F232-I247 HydrophobicContact CE1-CG1 3.57Å; F232-I247 HydrophobicContact CE2-CG2 4.41Å; F232-I247 HydrophobicContact CG-CG1 4.4Å; F232-I247 HydrophobicContact CZ-CD1 3.81Å; F232-I247 HydrophobicContact CZ-CG1 4.01Å; F232-I247 HydrophobicContact CZ-CG2 4.47Å; I247-Y263 CarbonylContact O-C 3.5Å; I247-Y263 VanDerWaalsContact O-CA 3.3Å; I247-Y263 WeakPolarHBondContact O-CA 3.46Å; I247-G264 PolarHBondContact N-O 3.01Å; I247-G264 PolarHBondContact O-N 3.31Å; I247-W266 HydrophobicContact CD1-CB 3.3Å; I247-W266 HydrophobicContact CD1-CG 4.46Å; I247-W266 HydrophobicContact CG1-CB 3.72Å; I247-W266 HydrophobicContact CG1-CG 4.45Å |
| 248 | Q | 94.6 | Very high | 81.1 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 155 | 164.5 | 61 | 176.3 | 39.4 | 0 | 0 | 110.7 | Q231 L262 F278 F282 | Q231-Q248 PolarHBondContact N-O 3.12Å; Q231-Q248 PolarHBondContact O-N 2.86Å; Q248-L262 CarbonylContact C-O 3.54Å; Q248-L262 VanDerWaalsContact CA-O 3.23Å; Q248-L262 WeakPolarHBondContact CA-O 3.35Å; Q248-F278 HydrophobicContact CB-CZ 4.28Å; Q248-F282 HydrophobicContact CB-CZ 4.44Å |
| 249 | G | 97.2 | Very high | 83.5 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | -171.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V229 A261 L262 | V229-G249 CarbonylContact O-C 3.51Å; V229-G249 WeakPolarHBondContact O-CA 3.4Å; G249-A261 WeakPolarHBondContact O-CA 3.25Å; G249-L262 PolarHBondContact N-O 3.16Å; G249-L262 PolarHBondContact O-N 2.84Å |
| 250 | Y | 98.6 | Very high | 85.8 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147.9 | -178.7 | -59.8 | -80.6 | 0 | 0 | 0 | 111.3 | C228 V229 R258 R260 A261 V275 F278 | C228-Y250 WeakPolarHBondContact CA-O 3.16Å; V229-Y250 PolarHBondContact N-O 3.01Å; V229-Y250 PolarHBondContact O-N 3.21Å; V229-Y250 VanDerWaalsContact O-N 3.08Å; Y250-R258 HydrophobicContact CD1-CB 4.21Å; Y250-R258 HydrophobicContact CD1-CG 4.11Å; Y250-R258 VanDerWaalsContact CE2-CZ 3.45Å; Y250-R258 VanDerWaalsContact CE2-NH1 3.34Å; Y250-R258 HydrophobicContact CG-CB 4.47Å; Y250-R258 HydrophobicContact CG-CG 3.97Å; Y250-R258 VanDerWaalsContact CZ-NH1 3.31Å; Y250-R258 PolarHBondContact OH-NH1 2.71Å; Y250-R260 CarbonylContact C-O 3.51Å; Y250-R260 VanDerWaalsContact CA-O 3.28Å; Y250-R260 WeakPolarHBondContact CA-O 3.37Å; Y250-A261 HydrophobicContact CD1-CB 3.86Å; Y250-A261 HydrophobicContact CE1-CB 3.74Å; Y250-V275 HydrophobicContact CD1-CG2 4.43Å; Y250-V275 HydrophobicContact CE1-CG1 4.38Å; Y250-F278 HydrophobicContact CE1-CD1 4.17Å; Y250-F278 HydrophobicContact CE1-CE1 4.46Å; Y250-F278 WeakPolarHBondContact OH-CE1 3.17Å |
| 251 | I | 98.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.7 | 158.4 | -68.1 | 160.1 | 0 | 0 | 0 | 108.3 | I83 E84 K227 C228 R258 I259 R260 L262 | I83-I251 HydrophobicContact CG2-CD1 3.68Å; I83-I251 HydrophobicContact CG2-CG1 4.03Å; I83-I251 HydrophobicContact CG2-CG2 4.02Å; E84-I251 HydrophobicContact CB-CD1 4.34Å; E84-I251 HydrophobicContact CG-CD1 3.29Å; K227-I251 CarbonylContact O-C 3.59Å; K227-I251 WeakPolarHBondContact O-CA 3.23Å; C228-I251 HydrophobicContact CB-CG1 3.82Å; I251-R258 WeakPolarHBondContact O-CA 3.3Å; I251-I259 HydrophobicContact CG2-CB 4.46Å; I251-I259 HydrophobicContact CG2-CD1 4.31Å; I251-I259 PolarHBondContact O-N 2.85Å; I251-R260 HydrophobicContact CB-CB 4.32Å; I251-R260 HydrophobicContact CD1-CB 4.14Å; I251-R260 PolarHBondContact N-O 3.08Å; I251-L262 HydrophobicContact CD1-CD1 3.73Å; I251-L262 HydrophobicContact CG1-CD1 3.66Å |
| 252 | T | 98.6 | Very high | 90.4 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 15% | 0.153 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.6 | 177.3 | 57 | 0 | 0 | 0 | 0 | 111.9 | L226 K227 H257 R258 | L226-T252 WeakPolarHBondContact CA-O 3.46Å; K227-T252 PolarHBondContact N-O 3.2Å; K227-T252 PolarHBondContact O-N 2.95Å; T252-H257 WeakPolarHBondContact CA-O 3.46Å; T252-R258 HydrophobicContact CG2-CG 4.02Å |
| 253 | N | 97.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 54 Ų | 54 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | trans | -81.9 | -177.5 | 167.7 | 64.8 | 11.6 | 0 | 0 | 0 | 112.2 | L226 Q255 K256 H257 I259 | L226-N253 HydrophobicContact CD2-CB 4.22Å; N253-Q255 PolarHBondContact ND2-OE1 3.07Å; N253-Q255 VanDerWaalsContact ND2-OE1 3.08Å; N253-Q255 PolarHBondContact O-N 3.36Å; N253-Q255 WeakPolarHBondContact OD1-CA 3.18Å; N253-Q255 PolarHBondContact OD1-N 3.13Å; N253-Q255 VanDerWaalsContact OD1-N 3.11Å; N253-Q255 PolarHBondContact OD1-OE1 3.41Å; N253-K256 WeakPolarHBondContact O-CA 3.33Å; N253-K256 PolarHBondContact O-N 3.24Å; N253-K256 PolarHBondContact OD1-N 3.21Å; N253-K256 VanDerWaalsContact OD1-N 3.13Å; N253-H257 PolarHBondContact N-O 3.49Å; N253-H257 WeakPolarHBondContact OD1-CB 3.23Å; N253-H257 PolarHBondContact OD1-N 2.71Å; N253-I259 HydrophobicContact CB-CD1 4.09Å | ||
| 254 | Q | 94.3 | Very high | 94 | Very high | 150 Ų | 150 | 52.8 Ų | 52.8 | 70% | 0.701 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.1 | 177.5 | -66 | 179 | -27.8 | 0 | 0 | 113.1 | K256 | Q254-K256 PolarHBondContact O-N 3.41Š|
| 255 | Q | 95.7 | Very high | 95.1 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 57% | 0.565 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 6 | 173.8 | -58.4 | 79.1 | 9.1 | 0 | 0 | 113 | N253 H257 | N253-Q255 PolarHBondContact ND2-OE1 3.07Å; N253-Q255 VanDerWaalsContact ND2-OE1 3.08Å; N253-Q255 PolarHBondContact O-N 3.36Å; N253-Q255 WeakPolarHBondContact OD1-CA 3.18Å; N253-Q255 PolarHBondContact OD1-N 3.13Å; N253-Q255 VanDerWaalsContact OD1-N 3.11Å; N253-Q255 PolarHBondContact OD1-OE1 3.41Å; Q255-H257 PolarHBondContact O-CD2 3.26Å; Q255-H257 PolarHBondContact O-N 2.82Å |
| 256 | K | 95.3 | Very high | 95.5 | Very high | 176 Ų | 176 | 46.9 Ų | 46.9 | 77% | 0.765 | 22% | 0.215 | S | C | * | . | trans | 61.6 | 16.7 | -176.7 | -54.5 | -177.7 | 178.7 | 178.5 | 0 | 114.5 | N253 Q254 | N253-K256 WeakPolarHBondContact O-CA 3.33Å; N253-K256 PolarHBondContact O-N 3.24Å; N253-K256 PolarHBondContact OD1-N 3.21Å; N253-K256 VanDerWaalsContact OD1-N 3.13Å; Q254-K256 PolarHBondContact O-N 3.41Å | ||
| 257 | H | 97.7 | Very high | 95.6 | Very high | 123 Ų | 123 | 46.8 Ų | 46.8 | 57% | 0.569 | 21% | 0.214 | S | C | * | . | trans | -71.6 | 130.8 | 172.2 | -62.7 | 172.7 | 0 | 0 | 0 | 109.4 | T252 N253 Q255 I259 | T252-H257 WeakPolarHBondContact CA-O 3.46Å; N253-H257 PolarHBondContact N-O 3.49Å; N253-H257 WeakPolarHBondContact OD1-CB 3.23Å; N253-H257 PolarHBondContact OD1-N 2.71Å; Q255-H257 PolarHBondContact O-CD2 3.26Å; Q255-H257 PolarHBondContact O-N 2.82Å; H257-I259 PolarHBondContact O-N 3.09Å | ||
| 258 | R | 98.2 | Very high | 95.5 | Very high | 138 Ų | 138 | 49 Ų | 49 | 52% | 0.521 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 119.9 | 176.9 | -64.5 | 175.8 | 178.6 | -179.9 | 2 | 109.2 | Y250 I251 T252 V275 | Y250-R258 HydrophobicContact CD1-CB 4.21Å; Y250-R258 HydrophobicContact CD1-CG 4.11Å; Y250-R258 VanDerWaalsContact CE2-CZ 3.45Å; Y250-R258 VanDerWaalsContact CE2-NH1 3.34Å; Y250-R258 HydrophobicContact CG-CB 4.47Å; Y250-R258 HydrophobicContact CG-CG 3.97Å; Y250-R258 VanDerWaalsContact CZ-NH1 3.31Å; Y250-R258 PolarHBondContact OH-NH1 2.71Å; I251-R258 WeakPolarHBondContact O-CA 3.3Å; T252-R258 HydrophobicContact CG2-CG 4.02Å; R258-V275 HydrophobicContact CB-CG1 4.31Å; R258-V275 HydrophobicContact CB-CG2 3.91Å |
| 259 | I | 97.8 | Very high | 95.4 | Very high | 61 Ų | 61 | 47.2 Ų | 47.2 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -49.2 | -177.9 | -48.3 | -180 | 0 | 0 | 0 | 110.3 | V80 L226 I251 N253 H257 | V80-I259 HydrophobicContact CG1-CG2 4.06Å; V80-I259 HydrophobicContact CG2-CD1 4.23Å; V80-I259 HydrophobicContact CG2-CG2 4.17Å; L226-I259 HydrophobicContact CD2-CD1 3.57Å; I251-I259 HydrophobicContact CG2-CB 4.46Å; I251-I259 HydrophobicContact CG2-CD1 4.31Å; I251-I259 PolarHBondContact O-N 2.85Å; N253-I259 HydrophobicContact CB-CD1 4.09Å; H257-I259 PolarHBondContact O-N 3.09Å |
| 260 | R | 98.2 | Very high | 95.3 | Very high | 33 Ų | 33 | 46.9 Ų | 46.9 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 148.5 | -179.2 | -64.7 | -71.5 | -70.8 | -178.9 | -1.7 | 109.7 | V80 E84 Y250 I251 S272 C273 N274 | V80-R260 HydrophobicContact CG1-CG 3.67Å; E84-R260 WeakPolarHBondContact OE1-CG 3.49Å; E84-R260 IonicContact OE1-CZ 2.75Å; E84-R260 IonicContact OE1-NE 3.53Å; E84-R260 PolarHBondContact OE1-NE 3.38Å; E84-R260 IonicContact OE1-NH2 3Å; Y250-R260 CarbonylContact C-O 3.51Å; Y250-R260 VanDerWaalsContact CA-O 3.28Å; Y250-R260 WeakPolarHBondContact CA-O 3.37Å; I251-R260 HydrophobicContact CB-CB 4.32Å; I251-R260 HydrophobicContact CD1-CB 4.14Å; I251-R260 PolarHBondContact N-O 3.08Å; R260-S272 PolarHBondContact NH2-O 2.87Å; R260-S272 PolarHBondContact NH2-OG 2.81Å; R260-C273 VanDerWaalsContact CZ-C 3.47Å; R260-N274 PolarHBondContact NH1-OD1 2.88Å; R260-N274 VanDerWaalsContact NH1-OD1 3.15Å |
| 261 | A | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G249 Y250 S272 C273 F278 | G249-A261 WeakPolarHBondContact O-CA 3.25Å; Y250-A261 HydrophobicContact CD1-CB 3.86Å; Y250-A261 HydrophobicContact CE1-CB 3.74Å; A261-S272 CarbonylContact O-C 3.52Å; A261-S272 WeakPolarHBondContact O-CA 3.04Å; A261-S272 WeakPolarHBondContact O-CB 3.41Å; A261-C273 PolarHBondContact N-O 2.93Å; A261-C273 PolarHBondContact O-N 2.76Å; A261-F278 HydrophobicContact CB-CB 3.46Å; A261-F278 VanDerWaalsContact CB-CB 3.46Å; A261-F278 HydrophobicContact CB-CD1 3.99Å; A261-F278 HydrophobicContact CB-CD2 3.74Å; A261-F278 HydrophobicContact CB-CG 3.44Å; A261-F278 VanDerWaalsContact CB-CG 3.44Å |
| 262 | L | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.6 | 174.1 | -70.1 | 87.7 | 0 | 0 | 0 | 109.3 | A87 L230 Q248 G249 I251 L270 A271 L329 | A87-L262 HydrophobicContact CB-CD2 3.79Å; L230-L262 HydrophobicContact CD2-CB 3.74Å; L230-L262 HydrophobicContact CD2-CD2 4.28Å; L230-L262 HydrophobicContact CD2-CG 4.48Å; Q248-L262 CarbonylContact C-O 3.54Å; Q248-L262 VanDerWaalsContact CA-O 3.23Å; Q248-L262 WeakPolarHBondContact CA-O 3.35Å; G249-L262 PolarHBondContact N-O 3.16Å; G249-L262 PolarHBondContact O-N 2.84Å; I251-L262 HydrophobicContact CD1-CD1 3.73Å; I251-L262 HydrophobicContact CG1-CD1 3.66Å; L262-L270 HydrophobicContact CD2-CD2 4.08Å; L262-A271 CarbonylContact C-O 3.53Å; L262-A271 VanDerWaalsContact CA-O 3.29Å; L262-A271 WeakPolarHBondContact CA-O 3.44Å; L262-L329 HydrophobicContact CD2-CD1 4Å |
| 263 | Y | 94.4 | Very high | 95 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 159.9 | -179.8 | 68.5 | -82 | 0 | 0 | 0 | 112 | I247 F269 A271 C273 F278 F282 W285 V320 I323 S326 | I247-Y263 CarbonylContact O-C 3.5Å; I247-Y263 VanDerWaalsContact O-CA 3.3Å; I247-Y263 WeakPolarHBondContact O-CA 3.46Å; Y263-F269 HydrophobicContact CE2-CE2 4.43Å; Y263-A271 HydrophobicContact CE1-CB 4.09Å; Y263-A271 HydrophobicContact CE2-CB 4.31Å; Y263-A271 PolarHBondContact N-O 2.93Å; Y263-A271 PolarHBondContact O-N 3.2Å; Y263-C273 HydrophobicContact CE1-CB 4.33Å; Y263-F278 AromaticContact CD1-CD2 3.95Å; Y263-F278 HydrophobicContact CD1-CD2 3.95Å; Y263-F278 HydrophobicContact CD1-CE2 4.02Å; Y263-F278 HydrophobicContact CG-CD2 4.4Å; Y263-F278 HydrophobicContact CG-CE2 4.02Å; Y263-F282 HydrophobicContact CD2-CD2 4.25Å; Y263-F282 HydrophobicContact CD2-CE2 4Å; Y263-F282 HydrophobicContact CG-CD2 4.22Å; Y263-F282 HydrophobicContact CG-CE2 4.03Å; Y263-W285 HydrophobicContact CD2-CH2 4.07Å; Y263-W285 HydrophobicContact CD2-CZ2 4.36Å; Y263-W285 HydrophobicContact CD2-CZ3 4.15Å; Y263-W285 HydrophobicContact CE2-CH2 4.25Å; Y263-W285 HydrophobicContact CE2-CZ2 4.07Å; Y263-V320 HydrophobicContact CE2-CG1 4.1Å; Y263-V320 WeakPolarHBondContact OH-CG1 3.26Å; Y263-I323 HydrophobicContact CD2-CD1 4.25Å; Y263-I323 HydrophobicContact CE1-CD1 4.1Å; Y263-I323 HydrophobicContact CE1-CG2 4.46Å; Y263-I323 HydrophobicContact CE2-CD1 3.74Å; Y263-S326 WeakPolarHBondContact OH-CB 3.41Å; Y263-S326 PolarHBondContact OH-OG 2.99Å |
| 264 | G | 92 | Very high | 95 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -146.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I247 | I247-G264 PolarHBondContact N-O 3.01Å; I247-G264 PolarHBondContact O-N 3.31Å |
| 265 | D | 90.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 117.6 | 178.1 | -178.3 | -47.6 | 0 | 0 | 0 | 109 | R245 T267 Q268 F269 R289 | R245-D265 VanDerWaalsContact CB-CG 3.47Å; R245-D265 VanDerWaalsContact CB-OD1 3.3Å; R245-D265 WeakPolarHBondContact CB-OD1 3.33Å; R245-D265 VanDerWaalsContact CB-OD2 3.29Å; R245-D265 WeakPolarHBondContact CB-OD2 3.41Å; R245-D265 CarbonylContact O-C 3.58Å; R245-D265 VanDerWaalsContact O-CA 3.24Å; R245-D265 WeakPolarHBondContact O-CA 3.48Å; D265-T267 PolarHBondContact O-N 3.42Å; D265-T267 WeakPolarHBondContact OD1-CA 3.31Å; D265-T267 WeakPolarHBondContact OD1-CB 3.17Å; D265-T267 PolarHBondContact OD1-N 2.99Å; D265-T267 PolarHBondContact OD1-OG1 3.17Å; D265-Q268 HydrophobicContact CB-CB 4.04Å; D265-Q268 HydrophobicContact CB-CG 4.36Å; D265-Q268 PolarHBondContact O-N 3Å; D265-Q268 PolarHBondContact OD1-N 3.34Å; D265-F269 CarbonylContact C-O 3.42Å; D265-F269 HydrophobicContact CB-CD1 4.34Å; D265-F269 HydrophobicContact CB-CE1 4.27Å; D265-F269 PolarHBondContact N-O 2.91Å; D265-F269 PolarHBondContact O-N 3.25Å; D265-R289 VanDerWaalsContact CB-NH2 3.34Å; D265-R289 IonicContact OD2-CZ 2.79Å; D265-R289 IonicContact OD2-NH1 2.87Å; D265-R289 IonicContact OD2-NH2 2.62Å; D265-R289 PolarHBondContact OD2-NH2 2.95Å |
| 266 | W | 91.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -12.4 | -174.1 | 64.7 | -99.3 | 0 | 0 | 0 | 114.1 | V91 L94 S95 H98 K213 F232 R245 I247 | V91-W266 HydrophobicContact CG1-CB 4.39Å; L94-W266 HydrophobicContact CB-CE3 4.42Å; S95-W266 VanDerWaalsContact CB-O 3.28Å; S95-W266 WeakPolarHBondContact CB-O 3.48Å; H98-W266 HydrophobicContact CB-CZ3 4.41Å; H98-W266 AromaticContact ND1-CH2 3.75Å; K213-W266 HydrophobicContact CB-CD2 4.42Å; K213-W266 HydrophobicContact CG-CD2 3.72Å; K213-W266 HydrophobicContact CG-CE3 3.93Å; K213-W266 HydrophobicContact CG-CG 4.31Å; K213-W266 HydrophobicContact CG-CH2 4.06Å; K213-W266 HydrophobicContact CG-CZ2 3.86Å; K213-W266 HydrophobicContact CG-CZ3 4.07Å; F232-W266 HydrophobicContact CD1-CB 4.32Å; F232-W266 AromaticContact CD1-CD1 3.97Å; F232-W266 HydrophobicContact CD1-CG 4.26Å; F232-W266 HydrophobicContact CE1-CB 3.77Å; F232-W266 HydrophobicContact CE1-CG 4.14Å; R245-W266 PolarHBondContact O-N 2.77Å; I247-W266 HydrophobicContact CD1-CB 3.3Å; I247-W266 HydrophobicContact CD1-CG 4.46Å; I247-W266 HydrophobicContact CG1-CB 3.72Å; I247-W266 HydrophobicContact CG1-CG 4.45Å |
| 267 | T | 89.2 | Confident | 95.2 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -10.1 | 175.7 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | H98 R245 D265 | H98-T267 HydrophobicContact CB-CG2 4.39Å; H98-T267 VanDerWaalsContact ND1-CG2 3.31Å; H98-T267 WeakPolarHBondContact ND1-CG2 3.35Å; R245-T267 HydrophobicContact CB-CG2 4.42Å; R245-T267 WeakPolarHBondContact CD-OG1 3.39Å; R245-T267 HydrophobicContact CG-CG2 4.09Å; D265-T267 PolarHBondContact O-N 3.42Å; D265-T267 WeakPolarHBondContact OD1-CA 3.31Å; D265-T267 WeakPolarHBondContact OD1-CB 3.17Å; D265-T267 PolarHBondContact OD1-N 2.99Å; D265-T267 PolarHBondContact OD1-OG1 3.17Å |
| 268 | Q | 89.1 | Confident | 95 | Very high | 47 Ų | 47 | 25.1 Ų | 25.1 | 22% | 0.22 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | -48.4 | -170.9 | -57 | -177.1 | -0.7 | 0 | 0 | 114.4 | D265 Q331 V332 | D265-Q268 HydrophobicContact CB-CB 4.04Å; D265-Q268 HydrophobicContact CB-CG 4.36Å; D265-Q268 PolarHBondContact O-N 3Å; D265-Q268 PolarHBondContact OD1-N 3.34Å; Q268-Q331 CarbonylContact O-C 3.59Å; Q268-Q331 WeakPolarHBondContact O-CA 3.39Å; Q268-V332 PolarHBondContact O-N 3.14Å |
| 269 | F | 93.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 162.6 | -175.1 | 76.6 | -83.7 | 0 | 0 | 0 | 112.9 | Y263 D265 A271 W285 I310 V320 L328 W330 Q331 | Y263-F269 HydrophobicContact CE2-CE2 4.43Å; D265-F269 CarbonylContact C-O 3.42Å; D265-F269 HydrophobicContact CB-CD1 4.34Å; D265-F269 HydrophobicContact CB-CE1 4.27Å; D265-F269 PolarHBondContact N-O 2.91Å; D265-F269 PolarHBondContact O-N 3.25Å; F269-A271 HydrophobicContact CD2-CB 4.28Å; F269-A271 HydrophobicContact CE2-CB 4.17Å; F269-W285 AromaticContact CZ-CH2 3.86Å; F269-W285 HydrophobicContact CZ-CH2 3.86Å; F269-W285 AromaticContact CZ-CZ2 3.77Å; F269-W285 HydrophobicContact CZ-CZ2 3.77Å; F269-I310 HydrophobicContact CB-CD1 4.11Å; F269-I310 HydrophobicContact CG-CD1 4.24Å; F269-V320 HydrophobicContact CD2-CG2 4.22Å; F269-V320 HydrophobicContact CE2-CG1 4.38Å; F269-V320 HydrophobicContact CE2-CG2 4.02Å; F269-L328 HydrophobicContact CB-CD1 4.01Å; F269-L328 HydrophobicContact CD2-CD1 3.99Å; F269-L328 HydrophobicContact CG-CD1 4.39Å; F269-W330 CarbonylContact C-O 3.6Å; F269-W330 WeakPolarHBondContact CA-O 3.27Å; F269-W330 VanDerWaalsContact CB-O 3.26Å; F269-W330 WeakPolarHBondContact CB-O 3.5Å; F269-Q331 HydrophobicContact CB-CB 4.48Å |
| 270 | L | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136 | 167.6 | -172.5 | 71.4 | 0 | 0 | 0 | 109.5 | A87 A88 V91 L262 L329 W330 | A87-L270 HydrophobicContact CB-CD2 4.19Å; A88-L270 HydrophobicContact CB-CD2 4.35Å; V91-L270 HydrophobicContact CB-CD2 4.25Å; V91-L270 HydrophobicContact CG2-CD1 4.47Å; V91-L270 HydrophobicContact CG2-CD2 4.03Å; L262-L270 HydrophobicContact CD2-CD2 4.08Å; L270-L329 HydrophobicContact CD2-CD1 4.26Å; L270-L329 HydrophobicContact CG-CD1 4.38Å; L270-L329 WeakPolarHBondContact O-CB 3.44Å; L270-L329 PolarHBondContact O-N 3.32Å; L270-W330 HydrophobicContact CB-CE3 4.17Å; L270-W330 PolarHBondContact N-O 3.04Å; L270-W330 PolarHBondContact O-N 3.16Å |
| 271 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 160.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L262 Y263 F269 V320 T327 | L262-A271 CarbonylContact C-O 3.53Å; L262-A271 VanDerWaalsContact CA-O 3.29Å; L262-A271 WeakPolarHBondContact CA-O 3.44Å; Y263-A271 HydrophobicContact CE1-CB 4.09Å; Y263-A271 HydrophobicContact CE2-CB 4.31Å; Y263-A271 PolarHBondContact N-O 2.93Å; Y263-A271 PolarHBondContact O-N 3.2Å; F269-A271 HydrophobicContact CD2-CB 4.28Å; F269-A271 HydrophobicContact CE2-CB 4.17Å; A271-V320 HydrophobicContact CB-CB 4.48Å; A271-V320 HydrophobicContact CB-CG2 3.67Å; A271-T327 CarbonylContact C-O 3.59Å; A271-T327 WeakPolarHBondContact CA-O 3.42Å; A271-T327 WeakPolarHBondContact CB-O 3.45Å |
| 272 | S | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 156.5 | 170 | 72.3 | 0 | 0 | 0 | 0 | 112.2 | E84 R260 A261 S326 T327 | E84-S272 VanDerWaalsContact CD-OG 3.23Å; E84-S272 WeakPolarHBondContact OE1-CB 3.47Å; E84-S272 PolarHBondContact OE1-OG 2.84Å; R260-S272 PolarHBondContact NH2-O 2.87Å; R260-S272 PolarHBondContact NH2-OG 2.81Å; A261-S272 CarbonylContact O-C 3.52Å; A261-S272 WeakPolarHBondContact O-CA 3.04Å; A261-S272 WeakPolarHBondContact O-CB 3.41Å; S272-S326 CarbonylContact O-C 3.53Å; S272-S326 VanDerWaalsContact O-CA 3.3Å; S272-S326 WeakPolarHBondContact O-CA 3.07Å; S272-T327 PolarHBondContact N-O 3.24Å; S272-T327 PolarHBondContact O-N 3.11Å |
| 273 | C | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 175.9 | 173.1 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | R260 A261 Y263 I323 D325 | R260-C273 VanDerWaalsContact CZ-C 3.47Å; A261-C273 PolarHBondContact N-O 2.93Å; A261-C273 PolarHBondContact O-N 2.76Å; Y263-C273 HydrophobicContact CE1-CB 4.33Å; C273-I323 HydrophobicContact CB-CG2 4.2Å; C273-D325 WeakPolarHBondContact CA-O 3.36Å; C273-D325 WeakPolarHBondContact CB-O 3.03Å |
| 274 | N | 96.4 | Very high | 92.8 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 143.5 | 171 | -73.9 | -38.8 | 0 | 0 | 0 | 111 | R260 D276 S277 F278 D325 | R260-N274 PolarHBondContact NH1-OD1 2.88Å; R260-N274 VanDerWaalsContact NH1-OD1 3.15Å; N274-D276 VanDerWaalsContact C-N 3.26Å; N274-D276 PolarHBondContact O-N 2.87Å; N274-S277 PolarHBondContact O-N 3.04Å; N274-F278 PolarHBondContact O-N 3.09Å; N274-D325 PolarHBondContact ND2-OD2 2.91Å; N274-D325 VanDerWaalsContact ND2-OD2 3.1Å |
| 275 | V | 97.4 | Very high | 92.4 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -36.3 | -176.1 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | Y250 R258 F278 K279 | Y250-V275 HydrophobicContact CD1-CG2 4.43Å; Y250-V275 HydrophobicContact CE1-CG1 4.38Å; R258-V275 HydrophobicContact CB-CG1 4.31Å; R258-V275 HydrophobicContact CB-CG2 3.91Å; V275-F278 WeakPolarHBondContact O-CB 3.34Å; V275-K279 HydrophobicContact CG1-CD 4.45Å; V275-K279 WeakPolarHBondContact O-CG 3.28Å; V275-K279 PolarHBondContact O-N 3.37Å |
| 276 | D | 97.1 | Very high | 92 | Very high | 114 Ų | 114 | 43.2 Ų | 43.2 | 61% | 0.61 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -75.3 | -39.1 | 179.6 | -63.4 | -33.2 | 0 | 0 | 0 | 112.2 | N274 F278 K279 K280 | N274-D276 VanDerWaalsContact C-N 3.26Å; N274-D276 PolarHBondContact O-N 2.87Å; D276-F278 VanDerWaalsContact C-N 3.3Å; D276-F278 PolarHBondContact O-N 3.42Å; D276-K279 PolarHBondContact O-N 2.97Å; D276-K279 IonicContact OD1-NZ 3.27Å; D276-K279 PolarHBondContact OD1-NZ 3.23Å; D276-K280 WeakPolarHBondContact O-CB 3.31Å; D276-K280 PolarHBondContact O-N 2.66Å |
| 277 | S | 94.9 | Very high | 91.3 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 170.7 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | N274 K280 F281 A324 D325 | N274-S277 PolarHBondContact O-N 3.04Å; S277-K280 PolarHBondContact O-N 2.96Å; S277-F281 WeakPolarHBondContact O-CB 3.25Å; S277-F281 WeakPolarHBondContact O-CD2 3.5Å; S277-F281 PolarHBondContact O-N 3.18Å; S277-A324 VanDerWaalsContact CB-O 3.29Å; S277-A324 WeakPolarHBondContact CB-O 3.41Å; S277-D325 PolarHBondContact OG-OD2 3.15Å |
| 278 | F | 94.8 | Very high | 90.7 | Very high | 10 Ų | 10 | 53 Ų | 53 | 4% | 0.044 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.5 | -53.7 | 173.5 | -173.7 | -98.8 | 0 | 0 | 0 | 112.2 | Q248 Y250 A261 Y263 N274 V275 D276 K280 F281 F282 | Q248-F278 HydrophobicContact CB-CZ 4.28Å; Y250-F278 HydrophobicContact CE1-CD1 4.17Å; Y250-F278 HydrophobicContact CE1-CE1 4.46Å; Y250-F278 WeakPolarHBondContact OH-CE1 3.17Å; A261-F278 HydrophobicContact CB-CB 3.46Å; A261-F278 VanDerWaalsContact CB-CB 3.46Å; A261-F278 HydrophobicContact CB-CD1 3.99Å; A261-F278 HydrophobicContact CB-CD2 3.74Å; A261-F278 HydrophobicContact CB-CG 3.44Å; A261-F278 VanDerWaalsContact CB-CG 3.44Å; Y263-F278 AromaticContact CD1-CD2 3.95Å; Y263-F278 HydrophobicContact CD1-CD2 3.95Å; Y263-F278 HydrophobicContact CD1-CE2 4.02Å; Y263-F278 HydrophobicContact CG-CD2 4.4Å; Y263-F278 HydrophobicContact CG-CE2 4.02Å; N274-F278 PolarHBondContact O-N 3.09Å; V275-F278 WeakPolarHBondContact O-CB 3.34Å; D276-F278 VanDerWaalsContact C-N 3.3Å; D276-F278 PolarHBondContact O-N 3.42Å; F278-K280 VanDerWaalsContact C-N 3.27Å; F278-K280 PolarHBondContact O-N 2.85Å; F278-F281 PolarHBondContact O-N 3.42Å; F278-F282 HydrophobicContact CD1-CB 4.37Å; F278-F282 HydrophobicContact CD2-CB 3.87Å; F278-F282 AromaticContact CD2-CD2 3.93Å; F278-F282 HydrophobicContact CD2-CD2 3.93Å; F278-F282 AromaticContact CD2-CG 3.99Å; F278-F282 HydrophobicContact CD2-CG 3.99Å; F278-F282 HydrophobicContact CE1-CB 4.26Å; F278-F282 HydrophobicContact CE1-CD1 4.12Å; F278-F282 HydrophobicContact CE1-CG 4.14Å; F278-F282 HydrophobicContact CE2-CB 3.73Å; F278-F282 AromaticContact CE2-CD1 3.91Å; F278-F282 HydrophobicContact CE2-CD1 3.91Å; F278-F282 AromaticContact CE2-CD2 3.17Å; F278-F282 HydrophobicContact CE2-CD2 3.17Å; F278-F282 HydrophobicContact CE2-CE1 4.29Å; F278-F282 AromaticContact CE2-CE2 3.64Å; F278-F282 HydrophobicContact CE2-CE2 3.64Å; F278-F282 AromaticContact CE2-CG 3.32Å; F278-F282 HydrophobicContact CE2-CG 3.32Å; F278-F282 HydrophobicContact CE2-CZ 4.17Å; F278-F282 HydrophobicContact CG-CB 4.19Å; F278-F282 HydrophobicContact CZ-CB 3.95Å; F278-F282 AromaticContact CZ-CD1 3.5Å; F278-F282 HydrophobicContact CZ-CD1 3.5Å; F278-F282 VanDerWaalsContact CZ-CD1 3.5Å; F278-F282 AromaticContact CZ-CD2 3.69Å; F278-F282 HydrophobicContact CZ-CD2 3.69Å; F278-F282 AromaticContact CZ-CE1 3.81Å; F278-F282 HydrophobicContact CZ-CE1 3.81Å; F278-F282 AromaticContact CZ-CE2 3.98Å; F278-F282 HydrophobicContact CZ-CE2 3.98Å; F278-F282 AromaticContact CZ-CG 3.42Å; F278-F282 HydrophobicContact CZ-CG 3.42Å; F278-F282 VanDerWaalsContact CZ-CG 3.42Å; F278-F282 HydrophobicContact CZ-CZ 4.03Å; F278-F282 WeakPolarHBondContact O-CB 3.35Å; F278-F282 PolarHBondContact O-N 3.07Å |
| 279 | K | 94.4 | Very high | 89.9 | Confident | 120 Ų | 120 | 52.1 Ų | 52.1 | 52% | 0.522 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.5 | -40.7 | 179.8 | -72.2 | 169.1 | -173.8 | 162.7 | 0 | 112.3 | V275 D276 | V275-K279 HydrophobicContact CG1-CD 4.45Å; V275-K279 WeakPolarHBondContact O-CG 3.28Å; V275-K279 PolarHBondContact O-N 3.37Å; D276-K279 PolarHBondContact O-N 2.97Å; D276-K279 IonicContact OD1-NZ 3.27Å; D276-K279 PolarHBondContact OD1-NZ 3.23Å |
| 280 | K | 93.6 | Very high | 88.6 | Confident | 154 Ų | 154 | 53.4 Ų | 53.4 | 67% | 0.67 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -73 | -44.4 | -176.2 | -175.6 | 173.9 | 177.1 | 179.4 | 0 | 112.7 | D276 S277 F278 | D276-K280 WeakPolarHBondContact O-CB 3.31Å; D276-K280 PolarHBondContact O-N 2.66Å; S277-K280 PolarHBondContact O-N 2.96Å; F278-K280 VanDerWaalsContact C-N 3.27Å; F278-K280 PolarHBondContact O-N 2.85Å |
| 281 | F | 90.7 | Very high | 87.1 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -105.2 | -27.9 | -167.4 | -59.3 | -66.5 | 0 | 0 | 0 | 114.1 | S277 F278 R284 W285 I323 A324 | S277-F281 WeakPolarHBondContact O-CB 3.25Å; S277-F281 WeakPolarHBondContact O-CD2 3.5Å; S277-F281 PolarHBondContact O-N 3.18Å; F278-F281 PolarHBondContact O-N 3.42Å; F281-R284 PolarHBondContact O-N 3.05Å; F281-W285 WeakPolarHBondContact O-CB 3.48Å; F281-W285 PolarHBondContact O-N 3.36Å; F281-I323 HydrophobicContact CB-CB 4.27Å; F281-I323 HydrophobicContact CB-CG1 3.96Å; F281-I323 HydrophobicContact CB-CG2 4.23Å; F281-A324 HydrophobicContact CD2-CB 4.04Å; F281-A324 HydrophobicContact CE2-CB 3.57Å; F281-A324 HydrophobicContact CZ-CB 4.28Å |
| 282 | F | 89 | Confident | 85.5 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -44.4 | -174 | -173.1 | -102.6 | 0 | 0 | 0 | 114.1 | Q248 Y263 F278 R284 W285 T286 I323 | Q248-F282 HydrophobicContact CB-CZ 4.44Å; Y263-F282 HydrophobicContact CD2-CD2 4.25Å; Y263-F282 HydrophobicContact CD2-CE2 4Å; Y263-F282 HydrophobicContact CG-CD2 4.22Å; Y263-F282 HydrophobicContact CG-CE2 4.03Å; F278-F282 HydrophobicContact CD1-CB 4.37Å; F278-F282 HydrophobicContact CD2-CB 3.87Å; F278-F282 AromaticContact CD2-CD2 3.93Å; F278-F282 HydrophobicContact CD2-CD2 3.93Å; F278-F282 AromaticContact CD2-CG 3.99Å; F278-F282 HydrophobicContact CD2-CG 3.99Å; F278-F282 HydrophobicContact CE1-CB 4.26Å; F278-F282 HydrophobicContact CE1-CD1 4.12Å; F278-F282 HydrophobicContact CE1-CG 4.14Å; F278-F282 HydrophobicContact CE2-CB 3.73Å; F278-F282 AromaticContact CE2-CD1 3.91Å; F278-F282 HydrophobicContact CE2-CD1 3.91Å; F278-F282 AromaticContact CE2-CD2 3.17Å; F278-F282 HydrophobicContact CE2-CD2 3.17Å; F278-F282 HydrophobicContact CE2-CE1 4.29Å; F278-F282 AromaticContact CE2-CE2 3.64Å; F278-F282 HydrophobicContact CE2-CE2 3.64Å; F278-F282 AromaticContact CE2-CG 3.32Å; F278-F282 HydrophobicContact CE2-CG 3.32Å; F278-F282 HydrophobicContact CE2-CZ 4.17Å; F278-F282 HydrophobicContact CG-CB 4.19Å; F278-F282 HydrophobicContact CZ-CB 3.95Å; F278-F282 AromaticContact CZ-CD1 3.5Å; F278-F282 HydrophobicContact CZ-CD1 3.5Å; F278-F282 VanDerWaalsContact CZ-CD1 3.5Å; F278-F282 AromaticContact CZ-CD2 3.69Å; F278-F282 HydrophobicContact CZ-CD2 3.69Å; F278-F282 AromaticContact CZ-CE1 3.81Å; F278-F282 HydrophobicContact CZ-CE1 3.81Å; F278-F282 AromaticContact CZ-CE2 3.98Å; F278-F282 HydrophobicContact CZ-CE2 3.98Å; F278-F282 AromaticContact CZ-CG 3.42Å; F278-F282 HydrophobicContact CZ-CG 3.42Å; F278-F282 VanDerWaalsContact CZ-CG 3.42Å; F278-F282 HydrophobicContact CZ-CZ 4.03Å; F278-F282 WeakPolarHBondContact O-CB 3.35Å; F278-F282 PolarHBondContact O-N 3.07Å; F282-R284 VanDerWaalsContact C-N 3.27Å; F282-R284 PolarHBondContact O-N 2.91Å; F282-W285 AromaticContact CD2-CE3 3.91Å; F282-W285 HydrophobicContact CD2-CE3 3.91Å; F282-W285 HydrophobicContact CD2-CZ3 4.4Å; F282-W285 AromaticContact CE2-CE3 3.74Å; F282-W285 HydrophobicContact CE2-CE3 3.74Å; F282-W285 AromaticContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CE2-CZ3 3.79Å; F282-W285 WeakPolarHBondContact O-CB 3.48Å; F282-W285 PolarHBondContact O-N 2.86Å; F282-W285 VanDerWaalsContact O-N 3.14Å; F282-T286 WeakPolarHBondContact CE1-OG1 3.24Å; F282-T286 PolarHBondContact O-N 3.4Å; F282-T286 PolarHBondContact O-OG1 2.84Å; F282-I323 HydrophobicContact CB-CD1 4.08Å; F282-I323 HydrophobicContact CD2-CD1 3.75Å; F282-I323 HydrophobicContact CG-CD1 4.42Å |
| 283 | P | 86 | Confident | 83.8 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 179.3 | -24.8 | 35 | 0 | 0 | 0 | 113.6 | K287 | P283-K287 WeakPolarHBondContact O-CG 3.44Å; P283-K287 PolarHBondContact O-N 2.88Å |
| 284 | R | 84.3 | Confident | 81.8 | Confident | 167 Ų | 167 | 66.9 Ų | 66.9 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.6 | -47.3 | 175.4 | 177.2 | -179.9 | 171.3 | 172.1 | -1.6 | 110.5 | F281 F282 T286 K287 E288 | F281-R284 PolarHBondContact O-N 3.05Å; F282-R284 VanDerWaalsContact C-N 3.27Å; F282-R284 PolarHBondContact O-N 2.91Å; R284-T286 VanDerWaalsContact C-N 3.32Å; R284-T286 PolarHBondContact O-N 2.71Å; R284-K287 WeakPolarHBondContact O-CB 3.34Å; R284-K287 PolarHBondContact O-N 2.88Å; R284-K287 VanDerWaalsContact O-N 3.14Å; R284-E288 HydrophobicContact CG-CG 4.43Å; R284-E288 IonicContact CZ-OE1 3.98Å; R284-E288 VanDerWaalsContact CZ-OE1 3.3Å; R284-E288 IonicContact NE-OE1 2.92Å; R284-E288 PolarHBondContact NE-OE1 2.75Å; R284-E288 IonicContact NH2-OE1 2.97Å; R284-E288 PolarHBondContact NH2-OE1 2.92Å; R284-E288 PolarHBondContact O-N 3.17Å |
| 285 | W | 83.7 | Confident | 79.7 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 179.1 | -179.2 | 88.9 | 0 | 0 | 0 | 112.3 | Y263 F269 F281 F282 E288 R289 L309 T321 I323 | Y263-W285 HydrophobicContact CD2-CH2 4.07Å; Y263-W285 HydrophobicContact CD2-CZ2 4.36Å; Y263-W285 HydrophobicContact CD2-CZ3 4.15Å; Y263-W285 HydrophobicContact CE2-CH2 4.25Å; Y263-W285 HydrophobicContact CE2-CZ2 4.07Å; F269-W285 AromaticContact CZ-CH2 3.86Å; F269-W285 HydrophobicContact CZ-CH2 3.86Å; F269-W285 AromaticContact CZ-CZ2 3.77Å; F269-W285 HydrophobicContact CZ-CZ2 3.77Å; F281-W285 WeakPolarHBondContact O-CB 3.48Å; F281-W285 PolarHBondContact O-N 3.36Å; F282-W285 AromaticContact CD2-CE3 3.91Å; F282-W285 HydrophobicContact CD2-CE3 3.91Å; F282-W285 HydrophobicContact CD2-CZ3 4.4Å; F282-W285 AromaticContact CE2-CE3 3.74Å; F282-W285 HydrophobicContact CE2-CE3 3.74Å; F282-W285 AromaticContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CE2-CZ3 3.79Å; F282-W285 WeakPolarHBondContact O-CB 3.48Å; F282-W285 PolarHBondContact O-N 2.86Å; F282-W285 VanDerWaalsContact O-N 3.14Å; W285-E288 PolarHBondContact O-N 2.86Å; W285-R289 WeakPolarHBondContact O-CB 3.49Å; W285-R289 PolarHBondContact O-N 2.83Å; W285-L309 HydrophobicContact CZ2-CD1 3.67Å; W285-T321 PolarHBondContact NE1-O 2.55Å; W285-I323 HydrophobicContact CB-CD1 3.88Å; W285-I323 HydrophobicContact CB-CG1 3.83Å; W285-I323 HydrophobicContact CD2-CD1 4.05Å; W285-I323 HydrophobicContact CE3-CD1 4.48Å; W285-I323 HydrophobicContact CG-CD1 3.77Å; W285-I323 HydrophobicContact CG-CG1 3.79Å |
| 286 | T | 81.1 | Confident | 77.3 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 177.1 | -35 | 0 | 0 | 0 | 0 | 111.5 | F282 R284 R289 F290 | F282-T286 WeakPolarHBondContact CE1-OG1 3.24Å; F282-T286 PolarHBondContact O-N 3.4Å; F282-T286 PolarHBondContact O-OG1 2.84Å; R284-T286 VanDerWaalsContact C-N 3.32Å; R284-T286 PolarHBondContact O-N 2.71Å; T286-R289 PolarHBondContact O-N 3.28Å; T286-F290 HydrophobicContact CG2-CD2 4.2Å; T286-F290 HydrophobicContact CG2-CE1 4.25Å; T286-F290 HydrophobicContact CG2-CE2 3.31Å; T286-F290 HydrophobicContact CG2-CZ 3.34Å; T286-F290 WeakPolarHBondContact O-CD2 3.48Å; T286-F290 WeakPolarHBondContact O-CE2 3.16Å; T286-F290 VanDerWaalsContact O-CG 3.26Å; T286-F290 WeakPolarHBondContact O-CG 3.28Å; T286-F290 PolarHBondContact O-N 2.86Å |
| 287 | K | 77.9 | Confident | 75 | Confident | 146 Ų | 146 | 69.9 Ų | 69.9 | 64% | 0.635 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.7 | -46 | 177.3 | -74.8 | 177.7 | -179.1 | -176.3 | 0 | 112.7 | P283 R284 R289 F290 S291 | P283-K287 WeakPolarHBondContact O-CG 3.44Å; P283-K287 PolarHBondContact O-N 2.88Å; R284-K287 WeakPolarHBondContact O-CB 3.34Å; R284-K287 PolarHBondContact O-N 2.88Å; R284-K287 VanDerWaalsContact O-N 3.14Å; K287-R289 VanDerWaalsContact C-N 3.35Å; K287-R289 PolarHBondContact O-N 2.97Å; K287-F290 WeakPolarHBondContact O-CB 3.43Å; K287-F290 PolarHBondContact O-N 3.03Å; K287-S291 PolarHBondContact O-N 3.35Å; K287-S291 VanDerWaalsContact O-N 3.11Å; K287-S291 PolarHBondContact O-OG 2.91Å |
| 288 | E | 75.7 | Confident | 72.6 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 178.4 | -71.9 | 174.7 | 173 | 0 | 0 | 111.3 | R284 W285 F290 S291 V292 | R284-E288 HydrophobicContact CG-CG 4.43Å; R284-E288 IonicContact CZ-OE1 3.98Å; R284-E288 VanDerWaalsContact CZ-OE1 3.3Å; R284-E288 IonicContact NE-OE1 2.92Å; R284-E288 PolarHBondContact NE-OE1 2.75Å; R284-E288 IonicContact NH2-OE1 2.97Å; R284-E288 PolarHBondContact NH2-OE1 2.92Å; R284-E288 PolarHBondContact O-N 3.17Å; W285-E288 PolarHBondContact O-N 2.86Å; E288-F290 VanDerWaalsContact C-N 3.28Å; E288-F290 PolarHBondContact O-N 2.67Å; E288-S291 PolarHBondContact O-N 3.2Å; E288-V292 WeakPolarHBondContact O-CG2 3.33Å; E288-V292 PolarHBondContact O-N 2.72Å; E288-V292 VanDerWaalsContact O-N 3.16Å |
| 289 | R | 72.7 | Confident | 69.9 | Low | 28 Ų | 28 | 77.5 Ų | 77.5 | 11% | 0.106 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 175.1 | -169.5 | 178 | -178.5 | -155.4 | -5.8 | 112.4 | D265 W285 T286 K287 A293 L309 | D265-R289 VanDerWaalsContact CB-NH2 3.34Å; D265-R289 IonicContact OD2-CZ 2.79Å; D265-R289 IonicContact OD2-NH1 2.87Å; D265-R289 IonicContact OD2-NH2 2.62Å; D265-R289 PolarHBondContact OD2-NH2 2.95Å; W285-R289 WeakPolarHBondContact O-CB 3.49Å; W285-R289 PolarHBondContact O-N 2.83Å; T286-R289 PolarHBondContact O-N 3.28Å; K287-R289 VanDerWaalsContact C-N 3.35Å; K287-R289 PolarHBondContact O-N 2.97Å; R289-A293 PolarHBondContact O-N 3.26Å; R289-A293 VanDerWaalsContact O-N 3.12Å; R289-L309 HydrophobicContact CB-CD1 4.29Å; R289-L309 HydrophobicContact CG-CD1 4.07Å |
| 290 | F | 65 | Low | 67.1 | Low | 34 Ų | 34 | 75.3 Ų | 75.3 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 175 | -64.5 | -43 | 0 | 0 | 0 | 113.2 | S242 E243 T286 K287 E288 V292 A293 L294 | S242-F290 WeakPolarHBondContact OG-CD1 3.47Å; S242-F290 VanDerWaalsContact OG-CE1 3.24Å; S242-F290 WeakPolarHBondContact OG-CE1 3.32Å; E243-F290 HydrophobicContact CG-CE1 3.53Å; E243-F290 HydrophobicContact CG-CE2 4.37Å; E243-F290 HydrophobicContact CG-CZ 3.21Å; E243-F290 WeakPolarHBondContact OE1-CZ 3.31Å; T286-F290 HydrophobicContact CG2-CD2 4.2Å; T286-F290 HydrophobicContact CG2-CE1 4.25Å; T286-F290 HydrophobicContact CG2-CE2 3.31Å; T286-F290 HydrophobicContact CG2-CZ 3.34Å; T286-F290 WeakPolarHBondContact O-CD2 3.48Å; T286-F290 WeakPolarHBondContact O-CE2 3.16Å; T286-F290 VanDerWaalsContact O-CG 3.26Å; T286-F290 WeakPolarHBondContact O-CG 3.28Å; T286-F290 PolarHBondContact O-N 2.86Å; K287-F290 WeakPolarHBondContact O-CB 3.43Å; K287-F290 PolarHBondContact O-N 3.03Å; E288-F290 VanDerWaalsContact C-N 3.28Å; E288-F290 PolarHBondContact O-N 2.67Å; F290-V292 VanDerWaalsContact C-N 3.26Å; F290-V292 PolarHBondContact O-N 3.25Å; F290-A293 PolarHBondContact O-N 2.86Å; F290-A293 VanDerWaalsContact O-N 3.16Å; F290-L294 PolarHBondContact O-N 3.38Å |
| 291 | S | 64 | Low | 64.5 | Low | 80 Ų | 80 | 74.2 Ų | 74.2 | 56% | 0.559 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.2 | -39.3 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 112 | K287 E288 S295 | K287-S291 PolarHBondContact O-N 3.35Å; K287-S291 VanDerWaalsContact O-N 3.11Å; K287-S291 PolarHBondContact O-OG 2.91Å; E288-S291 PolarHBondContact O-N 3.2Å; S291-S295 PolarHBondContact O-N 2.7Å; S291-S295 PolarHBondContact O-OG 3.41Å |
| 292 | V | 64.1 | Low | 61.9 | Low | 51 Ų | 51 | 78.7 Ų | 78.7 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 176.4 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | E288 F290 S295 R296 V307 | E288-V292 WeakPolarHBondContact O-CG2 3.33Å; E288-V292 PolarHBondContact O-N 2.72Å; E288-V292 VanDerWaalsContact O-N 3.16Å; F290-V292 VanDerWaalsContact C-N 3.26Å; F290-V292 PolarHBondContact O-N 3.25Å; V292-S295 PolarHBondContact O-OG 3.42Å; V292-R296 PolarHBondContact O-N 3.02Å; V292-V307 HydrophobicContact CG1-CG1 4.24Å; V292-V307 HydrophobicContact CG1-CG2 4.42Å |
| 293 | A | 61.1 | Low | 59.4 | Low | 35 Ų | 35 | 85 Ų | 85 | 29% | 0.289 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R289 F290 R296 T297 | R289-A293 PolarHBondContact O-N 3.26Å; R289-A293 VanDerWaalsContact O-N 3.12Å; F290-A293 PolarHBondContact O-N 2.86Å; F290-A293 VanDerWaalsContact O-N 3.16Å; A293-R296 PolarHBondContact O-N 2.76Å; A293-T297 PolarHBondContact O-N 2.88Å |
| 294 | L | 54.7 | Low | 57.1 | Low | 117 Ų | 117 | 87.1 Ų | 87.1 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.5 | -44.9 | 179 | -76.3 | 166.2 | 0 | 0 | 0 | 112.4 | F290 R296 T297 | F290-L294 PolarHBondContact O-N 3.38Å; L294-R296 VanDerWaalsContact C-N 3.25Å; L294-R296 PolarHBondContact O-N 3.01Å; L294-T297 PolarHBondContact O-N 3.31Å; L294-T297 PolarHBondContact O-OG1 3.16Å |
| 295 | S | 50.7 | Low | 54.8 | Low | 76 Ų | 76 | 82 Ų | 82 | 53% | 0.531 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -30.4 | -179.5 | 61 | 0 | 0 | 0 | 0 | 113.1 | S291 V292 | S291-S295 PolarHBondContact O-N 2.7Å; S291-S295 PolarHBondContact O-OG 3.41Å; V292-S295 PolarHBondContact O-OG 3.42Å |
| 296 | R | 48.3 | Very low | 52.9 | Low | 85 Ų | 85 | 85.7 Ų | 85.7 | 32% | 0.321 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -78.2 | -34.7 | 176.3 | -69.3 | -176.5 | -178.7 | -172.5 | 2 | 113.7 | V292 A293 L294 A298 S299 S300 S305 V306 | V292-R296 PolarHBondContact O-N 3.02Å; A293-R296 PolarHBondContact O-N 2.76Å; L294-R296 VanDerWaalsContact C-N 3.25Å; L294-R296 PolarHBondContact O-N 3.01Å; R296-A298 PolarHBondContact O-N 2.98Å; R296-S299 PolarHBondContact O-N 2.71Å; R296-S299 PolarHBondContact O-OG 3.43Å; R296-S300 PolarHBondContact O-N 3.23Å; R296-S305 PolarHBondContact NH1-O 3.08Å; R296-V306 PolarHBondContact NH1-O 2.99Å |
| 297 | T | 48.3 | Very low | 51.3 | Low | 98 Ų | 98 | 86.2 Ų | 86.2 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -23.5 | 175.8 | 52.1 | 0 | 0 | 0 | 0 | 113 | A293 L294 S299 | A293-T297 PolarHBondContact O-N 2.88Å; L294-T297 PolarHBondContact O-N 3.31Å; L294-T297 PolarHBondContact O-OG1 3.16Å; T297-S299 VanDerWaalsContact C-N 3.35Å |
| 298 | A | 43.6 | Very low | 49.8 | Very low | 94 Ų | 94 | 83 Ų | 83 | 78% | 0.777 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -20.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R296 | R296-A298 PolarHBondContact O-N 2.98Š|
| 299 | S | 39.1 | Very low | 48.9 | Very low | 91 Ų | 91 | 80.6 Ų | 80.6 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -19.7 | -171.9 | 56.6 | 0 | 0 | 0 | 0 | 115.8 | R296 T297 | R296-S299 PolarHBondContact O-N 2.71Å; R296-S299 PolarHBondContact O-OG 3.43Å; T297-S299 VanDerWaalsContact C-N 3.35Å |
| 300 | S | 34.6 | Very low | 48.1 | Very low | 75 Ų | 75 | 79.6 Ų | 79.6 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | trans | 169.2 | 136 | 163.5 | -77.8 | 0 | 0 | 0 | 0 | 109.6 | R296 D302 | R296-S300 PolarHBondContact O-N 3.23Å; S300-D302 VanDerWaalsContact C-N 3.34Å; S300-D302 PolarHBondContact O-N 3.11Å | ||
| 301 | P | 39.7 | Very low | 47.5 | Very low | 130 Ų | 130 | 82 Ų | 82 | 84% | 0.844 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -8.5 | -174.9 | 27.2 | -31.9 | 0 | 0 | 0 | 116 | ||
| 302 | D | 37.2 | Very low | 47 | Very low | 157 Ų | 157 | 82.3 Ų | 82.3 | 84% | 0.84 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 0.2 | -165.5 | -131.7 | 7.9 | 0 | 0 | 0 | 115.8 | S300 | S300-D302 VanDerWaalsContact C-N 3.34Å; S300-D302 PolarHBondContact O-N 3.11Å |
| 303 | Q | 34.7 | Very low | 46.3 | Very low | 150 Ų | 150 | 85.1 Ų | 85.1 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | trans | -99.6 | 90.8 | 172.5 | -65.1 | -168.6 | 23.9 | 0 | 0 | 109.9 | S305 | Q303-S305 PolarHBondContact O-N 2.81Š| ||
| 304 | S | 38.4 | Very low | 45.5 | Very low | 116 Ų | 116 | 87.7 Ų | 87.7 | 81% | 0.811 | 53% | 0.529 | S | S | * | . | trans | -69.3 | 36.8 | 163.7 | 66.5 | 0 | 0 | 0 | 0 | 112 | V306 | S304-V306 PolarHBondContact O-N 2.84Š| ||
| 305 | S | 35.4 | Very low | 45.3 | Very low | 61 Ų | 61 | 91.6 Ų | 91.6 | 43% | 0.427 | 54% | 0.541 | S | S | . | . | trans | -68.2 | 132.7 | 179.1 | 53.1 | 0 | 0 | 0 | 0 | 108.9 | R296 Q303 | R296-S305 PolarHBondContact NH1-O 3.08Å; Q303-S305 PolarHBondContact O-N 2.81Å | ||
| 306 | V | 45.4 | Very low | 45.3 | Very low | 80 Ų | 80 | 91.2 Ų | 91.2 | 49% | 0.485 | 54% | 0.543 | S | S | . | . | trans | -42.2 | 134.8 | -177.1 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | R296 S304 P308 | R296-V306 PolarHBondContact NH1-O 2.99Å; S304-V306 PolarHBondContact O-N 2.84Å; V306-P308 WeakPolarHBondContact O-CD 3.37Å | ||
| 307 | V | 46.4 | Very low | 45.5 | Very low | 30 Ų | 30 | 93.9 Ų | 93.9 | 18% | 0.182 | 56% | 0.559 | C | S | . | * | trans | -74.2 | 110.2 | 152.9 | -170.9 | 0 | 0 | 0 | 0 | 103 | V292 L309 | V292-V307 HydrophobicContact CG1-CG1 4.24Å; V292-V307 HydrophobicContact CG1-CG2 4.42Å; V307-L309 HydrophobicContact CB-CG 4.47Å; V307-L309 HydrophobicContact CG1-CD1 3.91Å; V307-L309 HydrophobicContact CG1-CG 3.66Å; V307-L309 PolarHBondContact O-N 3.14Å | ||
| 308 | P | 46.3 | Very low | 45.9 | Very low | 79 Ų | 79 | 91 Ų | 91 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | trans | -75.4 | 70.9 | 173.2 | 31.3 | -24.8 | 0 | 0 | 0 | 106.2 | V306 | V306-P308 WeakPolarHBondContact O-CD 3.37Š| ||
| 309 | L | 56.7 | Low | 46.8 | Very low | 25 Ų | 25 | 88.8 Ų | 88.8 | 13% | 0.131 | 52% | 0.524 | C | S | . | . | trans | -78 | 2.4 | 153.5 | -72.5 | 165.6 | 0 | 0 | 0 | 109.3 | W285 R289 V307 V320 T321 | W285-L309 HydrophobicContact CZ2-CD1 3.67Å; R289-L309 HydrophobicContact CB-CD1 4.29Å; R289-L309 HydrophobicContact CG-CD1 4.07Å; V307-L309 HydrophobicContact CB-CG 4.47Å; V307-L309 HydrophobicContact CG1-CD1 3.91Å; V307-L309 HydrophobicContact CG1-CG 3.66Å; V307-L309 PolarHBondContact O-N 3.14Å; L309-V320 CarbonylContact O-C 3.44Å; L309-V320 WeakPolarHBondContact O-CA 3.5Å; L309-T321 WeakPolarHBondContact CA-OG1 3.48Å; L309-T321 PolarHBondContact O-N 3.38Å; L309-T321 PolarHBondContact O-OG1 2.9Å | ||
| 310 | I | 55.7 | Low | 48.4 | Very low | 8 Ų | 8 | 84.8 Ų | 84.8 | 4% | 0.041 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 114.3 | 170.7 | -58.7 | 173.4 | 0 | 0 | 0 | 104.9 | F269 D312 P318 A319 V320 L328 Q331 | F269-I310 HydrophobicContact CB-CD1 4.11Å; F269-I310 HydrophobicContact CG-CD1 4.24Å; I310-D312 WeakPolarHBondContact CG2-OD1 3.5Å; I310-D312 PolarHBondContact O-N 3.29Å; I310-P318 HydrophobicContact CG2-CB 3.4Å; I310-A319 WeakPolarHBondContact CA-O 3.26Å; I310-V320 HydrophobicContact CG1-CG2 4.44Å; I310-L328 HydrophobicContact CD1-CD1 3.99Å; I310-L328 HydrophobicContact CD1-CD2 4.18Å; I310-L328 HydrophobicContact CG2-CD2 4Å; I310-Q331 HydrophobicContact CD1-CB 4.45Å; I310-Q331 VanDerWaalsContact CD1-CD 3.4Å; I310-Q331 HydrophobicContact CD1-CG 3.87Å |
| 311 | N | 52.4 | Low | 50.2 | Low | 85 Ų | 85 | 83 Ų | 83 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 101.4 | 171.8 | -94.5 | -2.6 | 0 | 0 | 0 | 107.5 | C313 A319 T321 | N311-C313 PolarHBondContact O-N 2.89Å; N311-A319 PolarHBondContact N-O 2.83Å; N311-T321 HydrophobicContact CB-CG2 3.95Å; N311-T321 VanDerWaalsContact CG-CG2 3.41Å; N311-T321 WeakPolarHBondContact ND2-CG2 3.25Å |
| 312 | D | 55 | Low | 52.1 | Low | 85 Ų | 85 | 79.1 Ų | 79.1 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 4 | 177.6 | -64.1 | -26.6 | 0 | 0 | 0 | 113 | I310 D314 | I310-D312 WeakPolarHBondContact CG2-OD1 3.5Å; I310-D312 PolarHBondContact O-N 3.29Å; D312-D314 PolarHBondContact O-N 2.77Å |
| 313 | C | 48.1 | Very low | 54.5 | Low | 111 Ų | 111 | 72 Ų | 72 | 75% | 0.75 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.8 | -178.5 | 52 | 0 | 0 | 0 | 0 | 113.8 | N311 | N311-C313 PolarHBondContact O-N 2.89Š|
| 314 | D | 45.7 | Very low | 56.9 | Low | 89 Ų | 89 | 66.8 Ų | 66.8 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -112.8 | 89.7 | 170.2 | -157.5 | -12.3 | 0 | 0 | 0 | 108.9 | D312 A316 H317 | D312-D314 PolarHBondContact O-N 2.77Å; D314-A316 PolarHBondContact O-N 3.16Å; D314-H317 CarbonylContact O-C 3.22Å; D314-H317 PolarHBondContact O-N 3.26Å |
| 315 | F | 50.4 | Low | 59.3 | Low | 198 Ų | 198 | 65.6 Ų | 65.6 | 87% | 0.868 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -27.3 | -177.6 | -77 | -82.3 | 0 | 0 | 0 | 113 | ||
| 316 | A | 50.2 | Low | 62 | Low | 69 Ų | 69 | 63.7 Ų | 63.7 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -36.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D314 | D314-A316 PolarHBondContact O-N 3.16Š|
| 317 | H | 51.7 | Low | 64.3 | Low | 140 Ų | 140 | 63.1 Ų | 63.1 | 65% | 0.648 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -142.2 | 75.1 | -172.7 | -60.8 | -47.5 | 0 | 0 | 0 | 111.7 | D314 A319 | D314-H317 CarbonylContact O-C 3.22Å; D314-H317 PolarHBondContact O-N 3.26Å; H317-A319 PolarHBondContact O-N 2.97Å; H317-A319 VanDerWaalsContact O-N 3.09Å |
| 318 | P | 57.7 | Low | 66.7 | Low | 37 Ų | 37 | 63.3 Ų | 63.3 | 24% | 0.24 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 120.1 | 174.1 | -1.7 | 8.6 | 0 | 0 | 0 | 109.1 | I310 L328 | I310-P318 HydrophobicContact CG2-CB 3.4Å; P318-L328 HydrophobicContact CB-CD2 3.71Å; P318-L328 HydrophobicContact CG-CD2 3.98Å; P318-L328 WeakPolarHBondContact O-CB 3.27Å |
| 319 | A | 63.2 | Low | 69 | Low | 48 Ų | 48 | 60.7 Ų | 60.7 | 40% | 0.397 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I310 N311 H317 T321 | I310-A319 WeakPolarHBondContact CA-O 3.26Å; N311-A319 PolarHBondContact N-O 2.83Å; H317-A319 PolarHBondContact O-N 2.97Å; H317-A319 VanDerWaalsContact O-N 3.09Å; A319-T321 PolarHBondContact O-N 3.09Å |
| 320 | V | 72 | Confident | 70.9 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 119.6 | 169.3 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | Y263 F269 A271 L309 I310 L328 | Y263-V320 HydrophobicContact CE2-CG1 4.1Å; Y263-V320 WeakPolarHBondContact OH-CG1 3.26Å; F269-V320 HydrophobicContact CD2-CG2 4.22Å; F269-V320 HydrophobicContact CE2-CG1 4.38Å; F269-V320 HydrophobicContact CE2-CG2 4.02Å; A271-V320 HydrophobicContact CB-CB 4.48Å; A271-V320 HydrophobicContact CB-CG2 3.67Å; L309-V320 CarbonylContact O-C 3.44Å; L309-V320 WeakPolarHBondContact O-CA 3.5Å; I310-V320 HydrophobicContact CG1-CG2 4.44Å; V320-L328 HydrophobicContact CG2-CB 4.41Å; V320-L328 HydrophobicContact CG2-CD1 3.95Å |
| 321 | T | 73 | Confident | 72.7 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 24% | 0.239 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 146.7 | 179.6 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | W285 L309 N311 A319 | W285-T321 PolarHBondContact NE1-O 2.55Å; L309-T321 WeakPolarHBondContact CA-OG1 3.48Å; L309-T321 PolarHBondContact O-N 3.38Å; L309-T321 PolarHBondContact O-OG1 2.9Å; N311-T321 HydrophobicContact CB-CG2 3.95Å; N311-T321 VanDerWaalsContact CG-CG2 3.41Å; N311-T321 WeakPolarHBondContact ND2-CG2 3.25Å; A319-T321 PolarHBondContact O-N 3.09Å |
| 322 | G | 79.5 | Confident | 74.6 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -11.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 323 | I | 85.8 | Confident | 76.3 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -125.6 | 118.1 | 171.3 | -59 | -174.6 | 0 | 0 | 0 | 109.1 | Y263 C273 F281 F282 W285 S326 | Y263-I323 HydrophobicContact CD2-CD1 4.25Å; Y263-I323 HydrophobicContact CE1-CD1 4.1Å; Y263-I323 HydrophobicContact CE1-CG2 4.46Å; Y263-I323 HydrophobicContact CE2-CD1 3.74Å; C273-I323 HydrophobicContact CB-CG2 4.2Å; F281-I323 HydrophobicContact CB-CB 4.27Å; F281-I323 HydrophobicContact CB-CG1 3.96Å; F281-I323 HydrophobicContact CB-CG2 4.23Å; F282-I323 HydrophobicContact CB-CD1 4.08Å; F282-I323 HydrophobicContact CD2-CD1 3.75Å; F282-I323 HydrophobicContact CG-CD1 4.42Å; W285-I323 HydrophobicContact CB-CD1 3.88Å; W285-I323 HydrophobicContact CB-CG1 3.83Å; W285-I323 HydrophobicContact CD2-CD1 4.05Å; W285-I323 HydrophobicContact CE3-CD1 4.48Å; W285-I323 HydrophobicContact CG-CD1 3.77Å; W285-I323 HydrophobicContact CG-CG1 3.79Å; I323-S326 WeakPolarHBondContact CB-OG 3.1Å; I323-S326 WeakPolarHBondContact CG2-OG 3.46Å; I323-S326 VanDerWaalsContact O-CB 3.3Å; I323-S326 WeakPolarHBondContact O-CB 3.48Å; I323-S326 PolarHBondContact O-OG 2.68Å |
| 324 | A | 86 | Confident | 78.2 | Confident | 42 Ų | 42 | 60 Ų | 60 | 35% | 0.347 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 151.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S277 F281 S326 | S277-A324 VanDerWaalsContact CB-O 3.29Å; S277-A324 WeakPolarHBondContact CB-O 3.41Å; F281-A324 HydrophobicContact CD2-CB 4.04Å; F281-A324 HydrophobicContact CE2-CB 3.57Å; F281-A324 HydrophobicContact CZ-CB 4.28Å; A324-S326 PolarHBondContact O-N 2.73Å |
| 325 | D | 88.4 | Confident | 80.2 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 28.6 | -179.8 | -39.6 | -46.2 | 0 | 0 | 0 | 114.2 | C273 N274 S277 | C273-D325 WeakPolarHBondContact CA-O 3.36Å; C273-D325 WeakPolarHBondContact CB-O 3.03Å; N274-D325 PolarHBondContact ND2-OD2 2.91Å; N274-D325 VanDerWaalsContact ND2-OD2 3.1Å; S277-D325 PolarHBondContact OG-OD2 3.15Å |
| 326 | S | 93 | Very high | 82.1 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | trans | -80.8 | 134.3 | 178.8 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | Y263 S272 I323 A324 | Y263-S326 WeakPolarHBondContact OH-CB 3.41Å; Y263-S326 PolarHBondContact OH-OG 2.99Å; S272-S326 CarbonylContact O-C 3.53Å; S272-S326 VanDerWaalsContact O-CA 3.3Å; S272-S326 WeakPolarHBondContact O-CA 3.07Å; I323-S326 WeakPolarHBondContact CB-OG 3.1Å; I323-S326 WeakPolarHBondContact CG2-OG 3.46Å; I323-S326 VanDerWaalsContact O-CB 3.3Å; I323-S326 WeakPolarHBondContact O-CB 3.48Å; I323-S326 PolarHBondContact O-OG 2.68Å; A324-S326 PolarHBondContact O-N 2.73Å | ||
| 327 | T | 94 | Very high | 83.8 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.8 | 172.7 | -53.5 | 0 | 0 | 0 | 0 | 107.9 | A271 S272 L329 | A271-T327 CarbonylContact C-O 3.59Å; A271-T327 WeakPolarHBondContact CA-O 3.42Å; A271-T327 WeakPolarHBondContact CB-O 3.45Å; S272-T327 PolarHBondContact N-O 3.24Å; S272-T327 PolarHBondContact O-N 3.11Å; T327-L329 HydrophobicContact CG2-CD2 4.16Å; T327-L329 PolarHBondContact O-N 3.17Å |
| 328 | L | 95.1 | Very high | 85.5 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 124.5 | 170.5 | -176.9 | 67.3 | 0 | 0 | 0 | 108.7 | F269 I310 P318 V320 W330 Q331 | F269-L328 HydrophobicContact CB-CD1 4.01Å; F269-L328 HydrophobicContact CD2-CD1 3.99Å; F269-L328 HydrophobicContact CG-CD1 4.39Å; I310-L328 HydrophobicContact CD1-CD1 3.99Å; I310-L328 HydrophobicContact CD1-CD2 4.18Å; I310-L328 HydrophobicContact CG2-CD2 4Å; P318-L328 HydrophobicContact CB-CD2 3.71Å; P318-L328 HydrophobicContact CG-CD2 3.98Å; P318-L328 WeakPolarHBondContact O-CB 3.27Å; V320-L328 HydrophobicContact CG2-CB 4.41Å; V320-L328 HydrophobicContact CG2-CD1 3.95Å; L328-W330 WeakPolarHBondContact CD1-O 3.45Å; L328-Q331 HydrophobicContact CD2-CB 4.25Å |
| 329 | L | 95.8 | Very high | 86.9 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -32.7 | -177.4 | -57.5 | 176 | 0 | 0 | 0 | 112.1 | E84 A88 L262 L270 T327 | E84-L329 HydrophobicContact CB-CD1 3.9Å; E84-L329 HydrophobicContact CB-CD2 4.01Å; E84-L329 HydrophobicContact CG-CD1 4.49Å; A88-L329 HydrophobicContact CB-CB 3.71Å; L262-L329 HydrophobicContact CD2-CD1 4Å; L270-L329 HydrophobicContact CD2-CD1 4.26Å; L270-L329 HydrophobicContact CG-CD1 4.38Å; L270-L329 WeakPolarHBondContact O-CB 3.44Å; L270-L329 PolarHBondContact O-N 3.32Å; T327-L329 HydrophobicContact CG2-CD2 4.16Å; T327-L329 PolarHBondContact O-N 3.17Å |
| 330 | W | 95.4 | Very high | 88 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 4% | 0.038 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 146.5 | 178.3 | 163.2 | 72.9 | 0 | 0 | 0 | 110 | Y66 L69 A88 V91 S92 S95 F269 L270 L328 V332 | Y66-W330 AromaticContact CD1-CD1 3.76Å; Y66-W330 AromaticContact CD1-NE1 3.48Å; Y66-W330 AromaticContact CD2-NE1 3.64Å; Y66-W330 AromaticContact CE1-CD1 3.94Å; Y66-W330 AromaticContact CE1-NE1 3.3Å; Y66-W330 VanDerWaalsContact CE1-NE1 3.3Å; Y66-W330 HydrophobicContact CE2-CZ2 4.11Å; Y66-W330 AromaticContact CE2-NE1 3.45Å; Y66-W330 AromaticContact CG-NE1 3.66Å; Y66-W330 AromaticContact CZ-NE1 3.32Å; Y66-W330 VanDerWaalsContact CZ-NE1 3.32Å; L69-W330 HydrophobicContact CD1-CB 4.44Å; A88-W330 HydrophobicContact CB-CB 3.86Å; V91-W330 HydrophobicContact CG1-CE3 4.15Å; V91-W330 HydrophobicContact CG1-CZ3 3.91Å; S92-W330 VanDerWaalsContact CB-CE2 3.41Å; S95-W330 VanDerWaalsContact CB-CH2 3.44Å; S95-W330 WeakPolarHBondContact OG-CZ2 3.35Å; F269-W330 CarbonylContact C-O 3.6Å; F269-W330 WeakPolarHBondContact CA-O 3.27Å; F269-W330 VanDerWaalsContact CB-O 3.26Å; F269-W330 WeakPolarHBondContact CB-O 3.5Å; L270-W330 HydrophobicContact CB-CE3 4.17Å; L270-W330 PolarHBondContact N-O 3.04Å; L270-W330 PolarHBondContact O-N 3.16Å; L328-W330 WeakPolarHBondContact CD1-O 3.45Å; W330-V332 HydrophobicContact CH2-CB 4.28Å; W330-V332 HydrophobicContact CZ2-CB 3.9Å; W330-V332 HydrophobicContact CZ2-CG2 4.28Å |
| 331 | Q | 93.9 | Very high | 88.8 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 27% | 0.271 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144 | 171.6 | -176.2 | 177.2 | 5.7 | 0 | 0 | 108.9 | Q268 F269 I310 L328 | Q268-Q331 CarbonylContact O-C 3.59Å; Q268-Q331 WeakPolarHBondContact O-CA 3.39Å; F269-Q331 HydrophobicContact CB-CB 4.48Å; I310-Q331 HydrophobicContact CD1-CB 4.45Å; I310-Q331 VanDerWaalsContact CD1-CD 3.4Å; I310-Q331 HydrophobicContact CD1-CG 3.87Å; L328-Q331 HydrophobicContact CD2-CB 4.25Å |
| 332 | V | 92.2 | Very high | 89.6 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 139.4 | 178.3 | 74.2 | 0 | 0 | 0 | 0 | 110.2 | Q268 W330 | Q268-V332 PolarHBondContact O-N 3.14Å; W330-V332 HydrophobicContact CH2-CB 4.28Å; W330-V332 HydrophobicContact CZ2-CB 3.9Å; W330-V332 HydrophobicContact CZ2-CG2 4.28Å |
| 333 | D | 90.8 | Very high | 90.1 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 49% | 0.492 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 149.5 | 173.4 | -56.4 | -49.9 | 0 | 0 | 0 | 109.9 | Y66 K335 | Y66-D333 WeakPolarHBondContact CE1-OD2 3.36Å; Y66-D333 PolarHBondContact OH-N 3.14Å; Y66-D333 PolarHBondContact OH-OD2 2.76Å; D333-K335 PolarHBondContact O-N 3.46Å |
| 334 | A | 88.5 | Confident | 90.2 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 136.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 335 | K | 88.4 | Confident | 90.6 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 149.4 | 170.9 | -71.2 | -171.2 | -179.6 | -170.2 | 0 | 109.9 | H98 D333 A339 G344 | H98-K335 PolarHBondContact O-NZ 3Å; D333-K335 PolarHBondContact O-N 3.46Å; K335-A339 HydrophobicContact CB-CB 3.92Å; K335-A339 HydrophobicContact CD-CB 4.17Å; K335-G344 PolarHBondContact NZ-O 3.41Å |
| 336 | P | 88.7 | Confident | 90.7 | Very high | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 148.7 | 169.8 | 19.1 | -26.6 | 0 | 0 | 0 | 110.6 | L338 A339 M350 | P336-L338 PolarHBondContact O-N 3.24Å; P336-L338 VanDerWaalsContact O-N 3.11Å; P336-A339 HydrophobicContact CG-CB 4.16Å; P336-A339 WeakPolarHBondContact O-CB 3.47Å; P336-A339 PolarHBondContact O-N 2.98Å; P336-M350 HydrophobicContact CB-CE 4.32Å; P336-M350 HydrophobicContact CB-SD 4.2Å; P336-M350 HydrophobicContact CG-CE 3.65Å; P336-M350 HydrophobicContact CG-SD 3.54Å; P336-M350 VanDerWaalsContact CG-SD 3.54Å |
| 337 | S | 87.3 | Confident | 90.7 | Very high | 120 Ų | 120 | 45.1 Ų | 45.1 | 84% | 0.839 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -54.9 | -30.7 | 174.3 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | A339 | S337-A339 VanDerWaalsContact C-N 3.29Å; S337-A339 PolarHBondContact O-N 2.83Å |
| 338 | L | 86.4 | Confident | 90.6 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -79.6 | -1.9 | 178.1 | -60.9 | 171.7 | 0 | 0 | 0 | 114.1 | L7 Y11 P336 A340 D341 F342 M350 | L7-L338 HydrophobicContact CD1-CD1 3.69Å; Y11-L338 HydrophobicContact CE1-CD1 4.23Å; Y11-L338 HydrophobicContact CE1-CD2 3.91Å; Y11-L338 HydrophobicContact CE2-CD1 4.21Å; Y11-L338 WeakPolarHBondContact OH-CD1 3.31Å; P336-L338 PolarHBondContact O-N 3.24Å; P336-L338 VanDerWaalsContact O-N 3.11Å; L338-A340 VanDerWaalsContact C-N 3.27Å; L338-A340 PolarHBondContact O-N 3.5Å; L338-D341 WeakPolarHBondContact O-CB 3.39Å; L338-D341 PolarHBondContact O-N 3.24Å; L338-F342 HydrophobicContact CB-CD2 3.77Å; L338-F342 HydrophobicContact CB-CE2 3.87Å; L338-F342 HydrophobicContact CD1-CE2 4.19Å; L338-F342 HydrophobicContact CD2-CE2 4.32Å; L338-F342 HydrophobicContact CG-CE2 4.36Å; L338-F342 VanDerWaalsContact O-CD2 3.31Å; L338-F342 WeakPolarHBondContact O-CD2 3.14Å; L338-F342 PolarHBondContact O-N 3.27Å; L338-F342 VanDerWaalsContact O-N 3.16Å; L338-M350 HydrophobicContact CB-CE 4.09Å |
| 339 | A | 88.4 | Confident | 90.6 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 7% | 0.066 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -55.8 | -40.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K335 P336 S337 D341 F342 G344 F345 | K335-A339 HydrophobicContact CB-CB 3.92Å; K335-A339 HydrophobicContact CD-CB 4.17Å; P336-A339 HydrophobicContact CG-CB 4.16Å; P336-A339 WeakPolarHBondContact O-CB 3.47Å; P336-A339 PolarHBondContact O-N 2.98Å; S337-A339 VanDerWaalsContact C-N 3.29Å; S337-A339 PolarHBondContact O-N 2.83Å; A339-D341 VanDerWaalsContact C-N 3.29Å; A339-D341 PolarHBondContact O-N 3.37Å; A339-F342 CarbonylContact O-C 3.45Å; A339-F342 PolarHBondContact O-N 3.04Å; A339-G344 WeakPolarHBondContact O-CA 3.4Å; A339-G344 PolarHBondContact O-N 2.93Å; A339-F345 VanDerWaalsContact CB-O 3.28Å; A339-F345 WeakPolarHBondContact CB-O 3.24Å |
| 340 | A | 86.4 | Confident | 90.4 | Very high | 82 Ų | 82 | 40.4 Ų | 40.4 | 68% | 0.678 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -62 | -36.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L338 | L338-A340 VanDerWaalsContact C-N 3.27Å; L338-A340 PolarHBondContact O-N 3.5Å |
| 341 | D | 87.2 | Confident | 90.3 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -36.8 | 179.5 | -63.9 | -20 | 0 | 0 | 0 | 111.2 | R14 I17 N21 L338 A339 | R14-D341 IonicContact CZ-OD2 2.81Å; R14-D341 IonicContact NE-OD2 3.99Å; R14-D341 PolarHBondContact NE-OD2 3.48Å; R14-D341 IonicContact NH2-OD1 3.39Å; R14-D341 IonicContact NH2-OD2 2.73Å; R14-D341 PolarHBondContact NH2-OD2 2.79Å; I17-D341 WeakPolarHBondContact CG2-O 3.37Å; N21-D341 PolarHBondContact ND2-O 3.06Å; N21-D341 VanDerWaalsContact ND2-O 3.16Å; L338-D341 WeakPolarHBondContact O-CB 3.39Å; L338-D341 PolarHBondContact O-N 3.24Å; A339-D341 VanDerWaalsContact C-N 3.29Å; A339-D341 PolarHBondContact O-N 3.37Å |
| 342 | F | 89.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 68.1 | -175 | -58.5 | -78.5 | 0 | 0 | 0 | 112.3 | L10 R14 I17 L338 A339 G344 F345 M350 | L10-F342 HydrophobicContact CB-CD1 4.31Å; L10-F342 HydrophobicContact CB-CE1 3.73Å; L10-F342 HydrophobicContact CB-CE2 4.26Å; L10-F342 HydrophobicContact CB-CZ 3.71Å; L10-F342 HydrophobicContact CD2-CD1 3.8Å; L10-F342 HydrophobicContact CD2-CE1 4Å; L10-F342 HydrophobicContact CD2-CG 4.34Å; L10-F342 HydrophobicContact CG-CE1 4.44Å; L10-F342 WeakPolarHBondContact O-CE1 3.02Å; L10-F342 VanDerWaalsContact O-CZ 3.23Å; L10-F342 WeakPolarHBondContact O-CZ 3.34Å; R14-F342 HydrophobicContact CB-CZ 4.12Å; R14-F342 HydrophobicContact CG-CZ 4.18Å; I17-F342 HydrophobicContact CD1-CD1 3.64Å; I17-F342 HydrophobicContact CD1-CE1 3.69Å; L338-F342 HydrophobicContact CB-CD2 3.77Å; L338-F342 HydrophobicContact CB-CE2 3.87Å; L338-F342 HydrophobicContact CD1-CE2 4.19Å; L338-F342 HydrophobicContact CD2-CE2 4.32Å; L338-F342 HydrophobicContact CG-CE2 4.36Å; L338-F342 VanDerWaalsContact O-CD2 3.31Å; L338-F342 WeakPolarHBondContact O-CD2 3.14Å; L338-F342 PolarHBondContact O-N 3.27Å; L338-F342 VanDerWaalsContact O-N 3.16Å; A339-F342 CarbonylContact O-C 3.45Å; A339-F342 PolarHBondContact O-N 3.04Å; F342-G344 PolarHBondContact O-N 3.08Å; F342-F345 VanDerWaalsContact O-CB 3.29Å; F342-F345 WeakPolarHBondContact O-CB 3.29Å; F342-F345 VanDerWaalsContact O-CG 3.22Å; F342-F345 WeakPolarHBondContact O-CG 3.3Å; F342-F345 PolarHBondContact O-N 2.86Å; F342-M350 HydrophobicContact CB-CE 3.79Å; F342-M350 HydrophobicContact CD2-CE 3.92Å; F342-M350 HydrophobicContact CG-CE 4.23Å |
| 343 | F | 89.6 | Confident | 90.3 | Very high | 12 Ų | 12 | 36 Ų | 36 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 15.3 | 169 | -53.1 | -86.3 | 0 | 0 | 0 | 115.8 | I17 V20 P53 F345 | I17-F343 HydrophobicContact CD1-CE2 4.16Å; I17-F343 HydrophobicContact CG1-CE2 4.21Å; I17-F343 HydrophobicContact CG1-CZ 4.35Å; I17-F343 HydrophobicContact CG2-CD2 4.33Å; I17-F343 HydrophobicContact CG2-CE1 4.45Å; I17-F343 HydrophobicContact CG2-CE2 3.68Å; I17-F343 HydrophobicContact CG2-CZ 3.76Å; V20-F343 HydrophobicContact CG1-CE1 4.47Å; P53-F343 HydrophobicContact CG-CD2 3.74Å; P53-F343 HydrophobicContact CG-CE1 4.41Å; P53-F343 HydrophobicContact CG-CE2 3.5Å; P53-F343 HydrophobicContact CG-CG 4.31Å; P53-F343 HydrophobicContact CG-CZ 3.86Å; F343-F345 VanDerWaalsContact C-N 3.34Å; F343-F345 HydrophobicContact CB-CD1 3.8Å; F343-F345 HydrophobicContact CB-CE1 3.53Å; F343-F345 HydrophobicContact CB-CE2 4.41Å; F343-F345 HydrophobicContact CB-CG 4.37Å; F343-F345 HydrophobicContact CB-CZ 3.88Å; F343-F345 HydrophobicContact CD2-CE2 4.32Å; F343-F345 HydrophobicContact CD2-CZ 4.33Å; F343-F345 HydrophobicContact CG-CE1 4.42Å; F343-F345 HydrophobicContact CG-CZ 4.32Å |
| 344 | G | 89.2 | Confident | 90.3 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 17% | 0.165 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 15.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R100 K335 A339 F342 | R100-G344 WeakPolarHBondContact CG-O 3.49Å; K335-G344 PolarHBondContact NZ-O 3.41Å; A339-G344 WeakPolarHBondContact O-CA 3.4Å; A339-G344 PolarHBondContact O-N 2.93Å; F342-G344 PolarHBondContact O-N 3.08Å |
| 345 | F | 93.1 | Very high | 90 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | trans | -66.1 | 139.9 | -174.5 | -70.7 | -2.1 | 0 | 0 | 0 | 112.4 | E52 P53 L54 R100 A339 F342 F343 A349 M350 | E52-F345 HydrophobicContact CB-CE1 4.03Å; E52-F345 HydrophobicContact CB-CZ 4.11Å; E52-F345 WeakPolarHBondContact OE2-CE1 3.46Å; P53-F345 HydrophobicContact CG-CE2 4.16Å; P53-F345 HydrophobicContact CG-CZ 4.05Å; L54-F345 HydrophobicContact CD1-CE1 4.18Å; L54-F345 HydrophobicContact CD1-CE2 4.27Å; L54-F345 HydrophobicContact CD1-CZ 3.78Å; L54-F345 HydrophobicContact CG-CE2 4.26Å; L54-F345 HydrophobicContact CG-CZ 3.81Å; R100-F345 VanDerWaalsContact CZ-CD1 3.46Å; R100-F345 VanDerWaalsContact CZ-CE1 3.49Å; R100-F345 VanDerWaalsContact NH2-CE1 3.31Å; A339-F345 VanDerWaalsContact CB-O 3.28Å; A339-F345 WeakPolarHBondContact CB-O 3.24Å; F342-F345 VanDerWaalsContact O-CB 3.29Å; F342-F345 WeakPolarHBondContact O-CB 3.29Å; F342-F345 VanDerWaalsContact O-CG 3.22Å; F342-F345 WeakPolarHBondContact O-CG 3.3Å; F342-F345 PolarHBondContact O-N 2.86Å; F343-F345 VanDerWaalsContact C-N 3.34Å; F343-F345 HydrophobicContact CB-CD1 3.8Å; F343-F345 HydrophobicContact CB-CE1 3.53Å; F343-F345 HydrophobicContact CB-CE2 4.41Å; F343-F345 HydrophobicContact CB-CG 4.37Å; F343-F345 HydrophobicContact CB-CZ 3.88Å; F343-F345 HydrophobicContact CD2-CE2 4.32Å; F343-F345 HydrophobicContact CD2-CZ 4.33Å; F343-F345 HydrophobicContact CG-CE1 4.42Å; F343-F345 HydrophobicContact CG-CZ 4.32Å; F345-A349 HydrophobicContact CB-CB 3.89Å; F345-A349 HydrophobicContact CD1-CB 4.26Å; F345-A349 HydrophobicContact CD2-CB 4.31Å; F345-A349 HydrophobicContact CG-CB 3.91Å; F345-M350 HydrophobicContact CB-CE 4.42Å; F345-M350 HydrophobicContact CB-CG 3.7Å; F345-M350 HydrophobicContact CD2-CG 4.43Å | ||
| 346 | N | 92.3 | Very high | 89.2 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | trans | -80.2 | 174.6 | 165.7 | 63.6 | 40.5 | 0 | 0 | 0 | 109.9 | Q65 S96 F348 A349 M350 | Q65-N346 PolarHBondContact OE1-ND2 3.06Å; Q65-N346 VanDerWaalsContact OE1-ND2 3.08Å; S96-N346 PolarHBondContact O-ND2 3.43Å; N346-F348 PolarHBondContact O-N 2.57Å; N346-F348 WeakPolarHBondContact OD1-CA 3.28Å; N346-F348 WeakPolarHBondContact OD1-CB 3.22Å; N346-F348 PolarHBondContact OD1-N 2.82Å; N346-A349 PolarHBondContact O-N 2.84Å; N346-A349 PolarHBondContact OD1-N 2.79Å; N346-M350 WeakPolarHBondContact O-CG 3.42Å; N346-M350 PolarHBondContact O-N 3.45Å; N346-M350 VanDerWaalsContact O-N 3.07Å | ||
| 347 | H | 91.3 | Very high | 87.9 | Confident | 87 Ų | 87 | 36.8 Ų | 36.8 | 40% | 0.403 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.8 | -36.6 | 179 | -77.7 | -65.3 | 0 | 0 | 0 | 113.5 | ||
| 348 | F | 93.1 | Very high | 86.2 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.7 | -47.7 | 179.9 | -170.2 | -86.5 | 0 | 0 | 0 | 111.3 | T61 E62 M64 Q65 L115 F120 N346 M350 E351 L352 | T61-F348 WeakPolarHBondContact O-CE1 3.3Å; T61-F348 WeakPolarHBondContact O-CZ 3.33Å; E62-F348 HydrophobicContact CG-CD1 4.23Å; E62-F348 HydrophobicContact CG-CE1 4.43Å; M64-F348 HydrophobicContact CB-CZ 4.19Å; Q65-F348 HydrophobicContact CB-CB 4.29Å; Q65-F348 HydrophobicContact CB-CD1 4.46Å; Q65-F348 HydrophobicContact CB-CD2 4.23Å; Q65-F348 HydrophobicContact CB-CG 4.09Å; Q65-F348 HydrophobicContact CG-CB 3.97Å; Q65-F348 HydrophobicContact CG-CD2 4.48Å; Q65-F348 HydrophobicContact CG-CG 4.29Å; L115-F348 HydrophobicContact CD2-CE1 4.12Å; L115-F348 HydrophobicContact CD2-CE2 4.35Å; L115-F348 HydrophobicContact CD2-CZ 3.54Å; F120-F348 HydrophobicContact CZ-CE2 4.32Å; F120-F348 HydrophobicContact CZ-CZ 4.43Å; N346-F348 PolarHBondContact O-N 2.57Å; N346-F348 WeakPolarHBondContact OD1-CA 3.28Å; N346-F348 WeakPolarHBondContact OD1-CB 3.22Å; N346-F348 PolarHBondContact OD1-N 2.82Å; F348-M350 VanDerWaalsContact C-N 3.34Å; F348-M350 PolarHBondContact O-N 3.42Å; F348-E351 PolarHBondContact O-N 2.92Å; F348-L352 HydrophobicContact CD1-CD1 4.48Å; F348-L352 HydrophobicContact CD1-CD2 4.11Å; F348-L352 HydrophobicContact CD1-CG 4.44Å; F348-L352 HydrophobicContact CE1-CD2 3.75Å |
| 349 | A | 94.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -34.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | F345 N346 E351 L352 | F345-A349 HydrophobicContact CB-CB 3.89Å; F345-A349 HydrophobicContact CD1-CB 4.26Å; F345-A349 HydrophobicContact CD2-CB 4.31Å; F345-A349 HydrophobicContact CG-CB 3.91Å; N346-A349 PolarHBondContact O-N 2.84Å; N346-A349 PolarHBondContact OD1-N 2.79Å; A349-E351 PolarHBondContact O-N 2.93Å; A349-L352 PolarHBondContact O-N 2.95Å |
| 350 | M | 93 | Very high | 83.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -25.3 | 176.3 | -76 | 178.7 | 165.6 | 0 | 0 | 113.4 | I2 R6 L10 P336 L338 F342 F345 N346 F348 | I2-M350 HydrophobicContact CD1-CB 3.82Å; I2-M350 HydrophobicContact CD1-CG 4.22Å; I2-M350 HydrophobicContact CD1-SD 3.33Å; I2-M350 WeakPolarHBondContact CD1-SD 3.4Å; I2-M350 HydrophobicContact CG1-CB 4.29Å; R6-M350 PolarHBondContact NE-O 3.41Å; R6-M350 PolarHBondContact NH2-O 3.5Å; L10-M350 HydrophobicContact CD1-CB 4.31Å; L10-M350 HydrophobicContact CD1-CG 4.44Å; L10-M350 HydrophobicContact CD1-SD 4.46Å; P336-M350 HydrophobicContact CB-CE 4.32Å; P336-M350 HydrophobicContact CB-SD 4.2Å; P336-M350 HydrophobicContact CG-CE 3.65Å; P336-M350 HydrophobicContact CG-SD 3.54Å; P336-M350 VanDerWaalsContact CG-SD 3.54Å; L338-M350 HydrophobicContact CB-CE 4.09Å; F342-M350 HydrophobicContact CB-CE 3.79Å; F342-M350 HydrophobicContact CD2-CE 3.92Å; F342-M350 HydrophobicContact CG-CE 4.23Å; F345-M350 HydrophobicContact CB-CE 4.42Å; F345-M350 HydrophobicContact CB-CG 3.7Å; F345-M350 HydrophobicContact CD2-CG 4.43Å; N346-M350 WeakPolarHBondContact O-CG 3.42Å; N346-M350 PolarHBondContact O-N 3.45Å; N346-M350 VanDerWaalsContact O-N 3.07Å; F348-M350 VanDerWaalsContact C-N 3.34Å; F348-M350 PolarHBondContact O-N 3.42Å |
| 351 | E | 92.2 | Very high | 82.3 | Confident | 28 Ų | 28 | 43 Ų | 43 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -88.7 | -15.5 | -179 | -68 | -63.8 | 118.1 | 0 | 0 | 113.9 | I2 R6 F348 A349 N353 C354 | I2-E351 WeakPolarHBondContact CA-OE1 3.19Å; I2-E351 WeakPolarHBondContact CB-OE1 3.41Å; I2-E351 HydrophobicContact CG1-CG 4.44Å; I2-E351 WeakPolarHBondContact CG2-OE1 3.4Å; R6-E351 WeakPolarHBondContact CG-OE1 3.43Å; F348-E351 PolarHBondContact O-N 2.92Å; A349-E351 PolarHBondContact O-N 2.93Å; E351-N353 PolarHBondContact O-N 3.42Å; E351-N353 VanDerWaalsContact O-N 3.14Å; E351-C354 VanDerWaalsContact O-CB 3.25Å; E351-C354 WeakPolarHBondContact O-CB 3.46Å; E351-C354 PolarHBondContact O-N 2.88Å |
| 352 | L | 94.1 | Very high | 82.1 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.8 | -167.8 | -66.6 | 179.9 | 0 | 0 | 0 | 114.7 | L54 Q58 E62 Y113 L115 F348 A349 | L54-L352 HydrophobicContact CD1-CD1 4.1Å; L54-L352 HydrophobicContact CD2-CB 3.87Å; L54-L352 HydrophobicContact CD2-CD1 4.44Å; Q58-L352 HydrophobicContact CB-CD1 4.31Å; Q58-L352 PolarHBondContact NE2-O 3.29Å; E62-L352 HydrophobicContact CG-CD1 3.82Å; Y113-L352 HydrophobicContact CE1-CD2 4.5Å; Y113-L352 WeakPolarHBondContact OH-CA 3.29Å; Y113-L352 WeakPolarHBondContact OH-CD2 3.48Å; Y113-L352 PolarHBondContact OH-O 3.22Å; L115-L352 HydrophobicContact CD1-CD2 4.46Å; L115-L352 HydrophobicContact CD2-CD2 4.09Å; F348-L352 HydrophobicContact CD1-CD1 4.48Å; F348-L352 HydrophobicContact CD1-CD2 4.11Å; F348-L352 HydrophobicContact CD1-CG 4.44Å; F348-L352 HydrophobicContact CE1-CD2 3.75Å; A349-L352 PolarHBondContact O-N 2.95Å |
| 353 | N | 93.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0.8 | 175.6 | -76.2 | -29.6 | 0 | 0 | 0 | 113.9 | P53 Q58 E351 L355 R375 E378 | P53-N353 PolarHBondContact O-ND2 3.05Å; Q58-N353 PolarHBondContact NE2-OD1 2.95Å; E351-N353 PolarHBondContact O-N 3.42Å; E351-N353 VanDerWaalsContact O-N 3.14Å; N353-L355 PolarHBondContact O-N 2.87Å; N353-R375 PolarHBondContact O-NH1 3.1Å; N353-E378 VanDerWaalsContact CB-CD 3.49Å; N353-E378 WeakPolarHBondContact CB-OE1 3.48Å; N353-E378 WeakPolarHBondContact CB-OE2 3.47Å; N353-E378 PolarHBondContact ND2-OE1 3.21Å; N353-E378 PolarHBondContact ND2-OE2 3.36Å |
| 354 | C | 89.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | trans | -67.9 | 116.6 | 179.2 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | E351 K356 R369 | E351-C354 VanDerWaalsContact O-CB 3.25Å; E351-C354 WeakPolarHBondContact O-CB 3.46Å; E351-C354 PolarHBondContact O-N 2.88Å; C354-K356 PolarHBondContact SG-O 3.45Å; C354-R369 PolarHBondContact O-NH1 2.99Å | ||
| 355 | L | 83.2 | Confident | 82.7 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 40% | 0.398 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -79 | -34.7 | 174.7 | -76.1 | 169.8 | 0 | 0 | 0 | 112 | N353 S357 L363 R369 L370 | N353-L355 PolarHBondContact O-N 2.87Å; L355-S357 PolarHBondContact O-N 2.93Å; L355-L363 HydrophobicContact CD2-CD1 3.81Å; L355-R369 HydrophobicContact CD2-CB 3.59Å; L355-R369 HydrophobicContact CG-CB 4.33Å; L355-L370 HydrophobicContact CD2-CD2 4.01Å |
| 356 | K | 72 | Confident | 82.9 | Confident | 177 Ų | 177 | 47.5 Ų | 47.5 | 77% | 0.77 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -78.7 | 66.3 | 173.9 | -63.5 | -175.5 | -177.6 | -179.5 | 0 | 109.1 | C354 | C354-K356 PolarHBondContact SG-O 3.45Š|
| 357 | S | 59.6 | Low | 83.1 | Confident | 35 Ų | 35 | 47 Ų | 47 | 25% | 0.245 | 27% | 0.27 | C | S | . | . | trans | -65.6 | 157.2 | 171.5 | 92.1 | 0 | 0 | 0 | 0 | 109.5 | L355 T359 | L355-S357 PolarHBondContact O-N 2.93Å; S357-T359 PolarHBondContact O-N 3.3Å; S357-T359 PolarHBondContact OG-N 2.97Å; S357-T359 PolarHBondContact OG-O 3.49Å; S357-T359 PolarHBondContact OG-OG1 3.2Å; S357-T359 VanDerWaalsContact OG-OG1 3.08Å | ||
| 358 | T | 52.2 | Low | 83.4 | Confident | 129 Ų | 129 | 42.8 Ų | 42.8 | 79% | 0.791 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -53.3 | -18.5 | 173 | 22.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 359 | T | 53.8 | Low | 83.5 | Confident | 48 Ų | 48 | 41.9 Ų | 41.9 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -100.5 | 121 | 174 | 72.9 | 0 | 0 | 0 | 0 | 109.6 | D116 S357 T361 | D116-T359 HydrophobicContact CB-CG2 4.29Å; S357-T359 PolarHBondContact O-N 3.3Å; S357-T359 PolarHBondContact OG-N 2.97Å; S357-T359 PolarHBondContact OG-O 3.49Å; S357-T359 PolarHBondContact OG-OG1 3.2Å; S357-T359 VanDerWaalsContact OG-OG1 3.08Å; T359-T361 PolarHBondContact O-N 2.98Å; T359-T361 PolarHBondContact OG1-OG1 3.46Å; T359-T361 VanDerWaalsContact OG1-OG1 3.12Å |
| 360 | S | 57.4 | Low | 83.6 | Confident | 134 Ų | 134 | 45.4 Ų | 45.4 | 94% | 0.937 | 27% | 0.265 | S | S | * | . | trans | -71.1 | 51.2 | 172.3 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 361 | T | 67.7 | Low | 83.8 | Confident | 48 Ų | 48 | 45.6 Ų | 45.6 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | trans | -106.9 | 135.9 | -171.6 | 72.7 | 0 | 0 | 0 | 0 | 111.2 | T359 L363 R437 | T359-T361 PolarHBondContact O-N 2.98Å; T359-T361 PolarHBondContact OG1-OG1 3.46Å; T359-T361 VanDerWaalsContact OG1-OG1 3.12Å; T361-L363 PolarHBondContact O-N 2.93Å; T361-R437 VanDerWaalsContact CB-CZ 3.44Å; T361-R437 VanDerWaalsContact CB-NH2 3.31Å; T361-R437 PolarHBondContact OG1-NH1 3.07Å; T361-R437 VanDerWaalsContact OG1-NH1 3.16Å; T361-R437 PolarHBondContact OG1-NH2 3.23Å; T361-R437 VanDerWaalsContact OG1-NH2 3.16Å | ||
| 362 | S | 83.6 | Confident | 84 | Confident | 83 Ų | 83 | 45.8 Ų | 45.8 | 58% | 0.58 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 120.1 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | R437 W439 | S362-R437 PolarHBondContact O-NH1 3.19Å; S362-W439 PolarHBondContact O-NE1 2.96Å |
| 363 | L | 91 | Very high | 84.2 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -76 | 148.5 | 172.9 | -61.9 | 179.8 | 0 | 0 | 0 | 110.3 | Q114 L355 T361 D367 | Q114-L363 HydrophobicContact CG-CD2 3.67Å; L355-L363 HydrophobicContact CD2-CD1 3.81Å; T361-L363 PolarHBondContact O-N 2.93Å; L363-D367 HydrophobicContact CB-CB 4.23Å |
| 364 | P | 94.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -65 | 151.5 | 171.2 | 29.8 | -35.5 | 0 | 0 | 0 | 110.5 | T112 T366 D367 L370 Y434 W439 | T112-P364 WeakPolarHBondContact OG1-CG 3.22Å; P364-T366 PolarHBondContact O-N 3.5Å; P364-D367 HydrophobicContact CG-CB 4.16Å; P364-D367 WeakPolarHBondContact O-CB 3.46Å; P364-D367 PolarHBondContact O-N 2.95Å; P364-L370 WeakPolarHBondContact O-CD1 3.42Å; P364-Y434 WeakPolarHBondContact CD-OH 3.46Å; P364-Y434 HydrophobicContact CG-CE2 4.3Å; P364-Y434 WeakPolarHBondContact CG-OH 3.07Å; P364-W439 HydrophobicContact CB-CD2 3.75Å; P364-W439 HydrophobicContact CB-CE3 3.79Å; P364-W439 HydrophobicContact CB-CG 4.24Å; P364-W439 HydrophobicContact CB-CH2 4.29Å; P364-W439 HydrophobicContact CB-CZ2 4.26Å; P364-W439 HydrophobicContact CB-CZ3 4.07Å; P364-W439 HydrophobicContact CG-CH2 4.39Å; P364-W439 HydrophobicContact CG-CZ2 4.45Å |
| 365 | P | 95.8 | Very high | 84.7 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 42% | 0.422 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.3 | 176.8 | 26.9 | -35.1 | 0 | 0 | 0 | 113.1 | C442 F446 | P365-C442 HydrophobicContact CG-CB 3.64Å; P365-F446 WeakPolarHBondContact O-CE2 3.3Å |
| 366 | T | 97.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 2.1 | 177.6 | 53.1 | 0 | 0 | 0 | 0 | 114 | T112 P364 C442 P443 L445 | T112-T366 WeakPolarHBondContact CG2-OG1 3.2Å; T112-T366 PolarHBondContact N-O 3.43Å; T112-T366 VanDerWaalsContact OG1-C 3.26Å; T112-T366 PolarHBondContact OG1-O 2.96Å; T112-T366 PolarHBondContact OG1-OG1 3.43Å; P364-T366 PolarHBondContact O-N 3.5Å; T366-C442 HydrophobicContact CG2-CB 4.06Å; T366-P443 HydrophobicContact CG2-CG 4.33Å; T366-P443 WeakPolarHBondContact CG2-O 3.46Å; T366-L445 HydrophobicContact CG2-CD1 3.46Å; T366-L445 VanDerWaalsContact CG2-CD1 3.46Å; T366-L445 HydrophobicContact CG2-CG 3.78Å |
| 367 | D | 97.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -64.1 | 133.6 | -177.5 | -169.6 | -79.4 | 0 | 0 | 0 | 112.2 | T112 Q114 L363 P364 R369 L370 F446 | T112-D367 CarbonylContact O-C 3.52Å; T112-D367 VanDerWaalsContact O-CA 3.22Å; T112-D367 WeakPolarHBondContact O-CA 3.46Å; T112-D367 PolarHBondContact OG1-N 2.91Å; Q114-D367 PolarHBondContact N-OD2 3.44Å; L363-D367 HydrophobicContact CB-CB 4.23Å; P364-D367 HydrophobicContact CG-CB 4.16Å; P364-D367 WeakPolarHBondContact O-CB 3.46Å; P364-D367 PolarHBondContact O-N 2.95Å; D367-R369 PolarHBondContact O-N 2.94Å; D367-R369 VanDerWaalsContact OD1-CB 3.26Å; D367-R369 WeakPolarHBondContact OD1-CB 3.36Å; D367-R369 WeakPolarHBondContact OD1-CG 3.3Å; D367-R369 IonicContact OD1-CZ 3.34Å; D367-R369 PolarHBondContact OD1-N 3.35Å; D367-R369 IonicContact OD1-NE 2.82Å; D367-R369 PolarHBondContact OD1-NE 2.9Å; D367-R369 IonicContact OD1-NH2 3.71Å; D367-R369 PolarHBondContact OD1-NH2 3.08Å; D367-R369 IonicContact OD2-CZ 2.71Å; D367-R369 IonicContact OD2-NE 3.73Å; D367-R369 IonicContact OD2-NH2 2.61Å; D367-R369 PolarHBondContact OD2-NH2 2.56Å; D367-L370 HydrophobicContact CB-CD1 4.41Å; D367-L370 HydrophobicContact CB-CG 4.39Å; D367-L370 WeakPolarHBondContact O-CB 3.26Å; D367-L370 PolarHBondContact O-N 2.72Å; D367-F446 WeakPolarHBondContact O-CE2 3.49Å |
| 368 | S | 97.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -52.8 | -29.4 | -180 | -61.4 | 0 | 0 | 0 | 0 | 114 | S55 E111 T112 L370 R371 | S55-S368 WeakPolarHBondContact CB-OG 3.37Å; E111-S368 VanDerWaalsContact OE1-CB 3.31Å; E111-S368 WeakPolarHBondContact OE1-CB 3.33Å; E111-S368 PolarHBondContact OE1-OG 3.03Å; T112-S368 PolarHBondContact O-N 3.04Å; T112-S368 PolarHBondContact O-OG 3.26Å; S368-L370 PolarHBondContact O-N 3.13Å; S368-R371 WeakPolarHBondContact O-CB 3.35Å; S368-R371 PolarHBondContact O-N 3.44Å; S368-R371 VanDerWaalsContact O-N 3.17Å |
| 369 | R | 95.5 | Very high | 90.2 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -71.2 | -18.8 | 177.9 | -66.8 | 168.5 | -74.5 | -155.9 | -15.9 | 113.2 | Y113 Q114 C354 L355 D367 R371 R375 | Y113-R369 HydrophobicContact CE2-CG 3.97Å; Q114-R369 PolarHBondContact O-NH2 3.19Å; C354-R369 PolarHBondContact O-NH1 2.99Å; L355-R369 HydrophobicContact CD2-CB 3.59Å; L355-R369 HydrophobicContact CG-CB 4.33Å; D367-R369 PolarHBondContact O-N 2.94Å; D367-R369 VanDerWaalsContact OD1-CB 3.26Å; D367-R369 WeakPolarHBondContact OD1-CB 3.36Å; D367-R369 WeakPolarHBondContact OD1-CG 3.3Å; D367-R369 IonicContact OD1-CZ 3.34Å; D367-R369 PolarHBondContact OD1-N 3.35Å; D367-R369 IonicContact OD1-NE 2.82Å; D367-R369 PolarHBondContact OD1-NE 2.9Å; D367-R369 IonicContact OD1-NH2 3.71Å; D367-R369 PolarHBondContact OD1-NH2 3.08Å; D367-R369 IonicContact OD2-CZ 2.71Å; D367-R369 IonicContact OD2-NE 3.73Å; D367-R369 IonicContact OD2-NH2 2.61Å; D367-R369 PolarHBondContact OD2-NH2 2.56Å; R369-R371 VanDerWaalsContact C-N 3.3Å; R369-R375 VanDerWaalsContact O-CD 3.23Å; R369-R375 WeakPolarHBondContact O-CD 3.5Å; R369-R375 VanDerWaalsContact O-CG 3.27Å; R369-R375 WeakPolarHBondContact O-CG 3.45Å |
| 370 | L | 95.8 | Very high | 92.2 | Very high | 73 Ų | 73 | 32.8 Ų | 32.8 | 38% | 0.382 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -88.2 | -5.4 | 175.3 | -56.3 | 178.5 | 0 | 0 | 0 | 111.8 | L355 P364 D367 S368 P372 F446 | L355-L370 HydrophobicContact CD2-CD2 4.01Å; P364-L370 WeakPolarHBondContact O-CD1 3.42Å; D367-L370 HydrophobicContact CB-CD1 4.41Å; D367-L370 HydrophobicContact CB-CG 4.39Å; D367-L370 WeakPolarHBondContact O-CB 3.26Å; D367-L370 PolarHBondContact O-N 2.72Å; S368-L370 PolarHBondContact O-N 3.13Å; L370-P372 WeakPolarHBondContact O-CD 3.22Å; L370-F446 HydrophobicContact CB-CD2 4.14Å; L370-F446 HydrophobicContact CB-CE2 3.85Å |
| 371 | R | 97.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | trans | -70.3 | 118 | -177.9 | -162.1 | -179.2 | 143.8 | 148.8 | 1.2 | 110.7 | N106 E111 S368 R369 D373 I374 R375 L392 F446 | N106-R371 PolarHBondContact O-NH1 2.92Å; E111-R371 IonicContact OE2-NH1 3.79Å; E111-R371 PolarHBondContact OE2-NH1 3.31Å; E111-R371 VanDerWaalsContact OE2-NH1 3.11Å; S368-R371 WeakPolarHBondContact O-CB 3.35Å; S368-R371 PolarHBondContact O-N 3.44Å; S368-R371 VanDerWaalsContact O-N 3.17Å; R369-R371 VanDerWaalsContact C-N 3.3Å; R371-D373 WeakPolarHBondContact CD-OD1 3.25Å; R371-D373 VanDerWaalsContact CG-OD1 3.22Å; R371-D373 WeakPolarHBondContact CG-OD1 3.42Å; R371-D373 IonicContact CZ-OD1 3.86Å; R371-D373 IonicContact CZ-OD2 2.7Å; R371-D373 IonicContact NE-OD1 2.74Å; R371-D373 PolarHBondContact NE-OD1 2.98Å; R371-D373 IonicContact NE-OD2 3.57Å; R371-D373 PolarHBondContact NE-OD2 3.06Å; R371-D373 IonicContact NH2-OD1 3.46Å; R371-D373 IonicContact NH2-OD2 2.82Å; R371-D373 PolarHBondContact NH2-OD2 3.37Å; R371-I374 HydrophobicContact CB-CB 4.44Å; R371-I374 HydrophobicContact CB-CD1 4.1Å; R371-I374 HydrophobicContact CB-CG1 4.24Å; R371-I374 HydrophobicContact CG-CD1 4.34Å; R371-I374 HydrophobicContact CG-CG1 4.32Å; R371-I374 PolarHBondContact O-N 3.46Å; R371-R375 WeakPolarHBondContact O-CG 3.47Å; R371-R375 PolarHBondContact O-N 3.3Å; R371-R375 VanDerWaalsContact O-N 3.15Å; R371-L392 HydrophobicContact CG-CD1 4.02Å; R371-F446 HydrophobicContact CB-CD1 4.25Å; R371-F446 HydrophobicContact CB-CE1 3.76Å; R371-F446 HydrophobicContact CB-CE2 4.26Å; R371-F446 HydrophobicContact CB-CZ 3.75Å; R371-F446 HydrophobicContact CG-CD1 3.78Å; R371-F446 HydrophobicContact CG-CE1 3.47Å; R371-F446 VanDerWaalsContact CG-CE1 3.47Å; R371-F446 HydrophobicContact CG-CZ 4.02Å | ||
| 372 | P | 97.5 | Very high | 95.3 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 21% | 0.208 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.6 | -35.2 | -163.7 | 25.6 | -35.3 | 0 | 0 | 0 | 114.3 | L370 I374 R375 L376 E388 L392 F446 | L370-P372 WeakPolarHBondContact O-CD 3.22Å; P372-I374 PolarHBondContact O-N 3.35Å; P372-R375 PolarHBondContact O-N 2.92Å; P372-L376 WeakPolarHBondContact O-CB 3.28Å; P372-L376 WeakPolarHBondContact O-CD1 3.3Å; P372-L376 VanDerWaalsContact O-CG 3.24Å; P372-L376 WeakPolarHBondContact O-CG 3.47Å; P372-L376 PolarHBondContact O-N 3.08Å; P372-E388 HydrophobicContact CB-CG 3.75Å; P372-E388 WeakPolarHBondContact CB-OE1 3.47Å; P372-E388 HydrophobicContact CG-CG 3.6Å; P372-E388 WeakPolarHBondContact CG-OE1 3.29Å; P372-L392 HydrophobicContact CG-CD1 4.17Å; P372-F446 HydrophobicContact CG-CB 4.41Å |
| 373 | D | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 175.5 | 61.7 | -17.1 | 0 | 0 | 0 | 112.5 | F105 R371 L377 A385 E388 K389 L392 | F105-D373 WeakPolarHBondContact CD1-OD2 3.42Å; F105-D373 HydrophobicContact CE1-CB 4.22Å; F105-D373 WeakPolarHBondContact CE1-OD2 3.24Å; R371-D373 WeakPolarHBondContact CD-OD1 3.25Å; R371-D373 VanDerWaalsContact CG-OD1 3.22Å; R371-D373 WeakPolarHBondContact CG-OD1 3.42Å; R371-D373 IonicContact CZ-OD1 3.86Å; R371-D373 IonicContact CZ-OD2 2.7Å; R371-D373 IonicContact NE-OD1 2.74Å; R371-D373 PolarHBondContact NE-OD1 2.98Å; R371-D373 IonicContact NE-OD2 3.57Å; R371-D373 PolarHBondContact NE-OD2 3.06Å; R371-D373 IonicContact NH2-OD1 3.46Å; R371-D373 IonicContact NH2-OD2 2.82Å; R371-D373 PolarHBondContact NH2-OD2 3.37Å; D373-L377 PolarHBondContact O-N 3.44Å; D373-L377 VanDerWaalsContact O-N 3.11Å; D373-A385 WeakPolarHBondContact O-CB 3.46Å; D373-E388 HydrophobicContact CB-CB 3.97Å; D373-E388 HydrophobicContact CB-CG 4.03Å; D373-K389 HydrophobicContact CB-CB 3.92Å; D373-K389 WeakPolarHBondContact OD2-CA 3.41Å; D373-L392 HydrophobicContact CB-CD1 4.24Å; D373-L392 WeakPolarHBondContact OD1-CD1 3.44Å |
| 374 | I | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.9 | -48.3 | 173.9 | -60.6 | -174 | 0 | 0 | 0 | 110.4 | P53 F105 R371 P372 L376 L377 E378 | P53-I374 HydrophobicContact CB-CG2 4.43Å; P53-I374 VanDerWaalsContact O-CG2 3.32Å; P53-I374 WeakPolarHBondContact O-CG2 2.89Å; F105-I374 HydrophobicContact CB-CD1 3.96Å; F105-I374 HydrophobicContact CB-CG1 4.16Å; F105-I374 HydrophobicContact CD1-CG1 4.09Å; F105-I374 HydrophobicContact CD2-CD1 4.23Å; F105-I374 HydrophobicContact CD2-CG1 3.75Å; F105-I374 HydrophobicContact CE1-CG1 4.39Å; F105-I374 HydrophobicContact CE2-CG1 4.08Å; F105-I374 HydrophobicContact CG-CD1 4.1Å; F105-I374 HydrophobicContact CG-CG1 3.74Å; F105-I374 HydrophobicContact CZ-CG1 4.38Å; R371-I374 HydrophobicContact CB-CB 4.44Å; R371-I374 HydrophobicContact CB-CD1 4.1Å; R371-I374 HydrophobicContact CB-CG1 4.24Å; R371-I374 HydrophobicContact CG-CD1 4.34Å; R371-I374 HydrophobicContact CG-CG1 4.32Å; R371-I374 PolarHBondContact O-N 3.46Å; P372-I374 PolarHBondContact O-N 3.35Å; I374-L376 VanDerWaalsContact C-N 3.32Å; I374-L376 PolarHBondContact O-N 2.79Å; I374-L377 PolarHBondContact O-N 3.17Å; I374-E378 WeakPolarHBondContact O-CB 3.45Å; I374-E378 PolarHBondContact O-N 3.13Å |
| 375 | R | 96 | Very high | 96.3 | Very high | 38 Ų | 38 | 31.5 Ų | 31.5 | 14% | 0.143 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -35.1 | -179.6 | -70.1 | -60.5 | -63.1 | 175.5 | -1.4 | 112.9 | E9 N353 R369 R371 P372 E378 K379 | E9-R375 IonicContact OE1-CZ 3.11Å; E9-R375 IonicContact OE1-NH1 2.75Å; E9-R375 IonicContact OE1-NH2 3.67Å; E9-R375 PolarHBondContact OE1-NH2 3.02Å; N353-R375 PolarHBondContact O-NH1 3.1Å; R369-R375 VanDerWaalsContact O-CD 3.23Å; R369-R375 WeakPolarHBondContact O-CD 3.5Å; R369-R375 VanDerWaalsContact O-CG 3.27Å; R369-R375 WeakPolarHBondContact O-CG 3.45Å; R371-R375 WeakPolarHBondContact O-CG 3.47Å; R371-R375 PolarHBondContact O-N 3.3Å; R371-R375 VanDerWaalsContact O-N 3.15Å; P372-R375 PolarHBondContact O-N 2.92Å; R375-E378 IonicContact CZ-OE2 2.76Å; R375-E378 IonicContact NE-OE2 3.4Å; R375-E378 VanDerWaalsContact NH1-CD 3.3Å; R375-E378 IonicContact NH1-OE1 3.72Å; R375-E378 PolarHBondContact NH1-OE1 2.96Å; R375-E378 IonicContact NH1-OE2 3.93Å; R375-E378 PolarHBondContact NH1-OE2 3.47Å; R375-K379 WeakPolarHBondContact O-CG 3.23Å; R375-K379 PolarHBondContact O-N 3.2Å |
| 376 | L | 97.3 | Very high | 96.3 | Very high | 48 Ų | 48 | 32.2 Ų | 32.2 | 25% | 0.251 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.4 | -42.1 | 175.2 | -71.9 | 164.5 | 0 | 0 | 0 | 111.3 | P372 I374 E378 K379 G380 N381 A384 A385 E388 | P372-L376 WeakPolarHBondContact O-CB 3.28Å; P372-L376 WeakPolarHBondContact O-CD1 3.3Å; P372-L376 VanDerWaalsContact O-CG 3.24Å; P372-L376 WeakPolarHBondContact O-CG 3.47Å; P372-L376 PolarHBondContact O-N 3.08Å; I374-L376 VanDerWaalsContact C-N 3.32Å; I374-L376 PolarHBondContact O-N 2.79Å; L376-E378 VanDerWaalsContact C-N 3.34Å; L376-K379 PolarHBondContact O-N 2.86Å; L376-G380 PolarHBondContact O-N 3.34Å; L376-N381 HydrophobicContact CD2-CB 4.49Å; L376-N381 PolarHBondContact O-N 2.82Å; L376-A384 HydrophobicContact CD1-CB 3.93Å; L376-A384 HydrophobicContact CD2-CB 3.95Å; L376-A384 HydrophobicContact CG-CB 4.38Å; L376-A385 HydrophobicContact CB-CB 3.64Å; L376-E388 HydrophobicContact CD1-CB 3.95Å; L376-E388 HydrophobicContact CD1-CG 4.33Å |
| 377 | L | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 176 | -176.6 | 63.9 | 0 | 0 | 0 | 111.9 | V20 I48 N51 P53 F105 D373 I374 K379 G380 L382 A385 | V20-L377 HydrophobicContact CG1-CD1 4.11Å; I48-L377 HydrophobicContact CG1-CD1 4.5Å; I48-L377 HydrophobicContact CG1-CD2 4.24Å; N51-L377 HydrophobicContact CB-CD2 3.96Å; P53-L377 HydrophobicContact CB-CB 4.35Å; P53-L377 HydrophobicContact CB-CD2 4.35Å; P53-L377 HydrophobicContact CB-CG 4.27Å; F105-L377 HydrophobicContact CE2-CD2 3.64Å; F105-L377 HydrophobicContact CZ-CB 4.39Å; F105-L377 HydrophobicContact CZ-CD2 3.84Å; D373-L377 PolarHBondContact O-N 3.44Å; D373-L377 VanDerWaalsContact O-N 3.11Å; I374-L377 PolarHBondContact O-N 3.17Å; L377-K379 PolarHBondContact O-N 2.72Å; L377-G380 WeakPolarHBondContact O-CA 3.29Å; L377-G380 PolarHBondContact O-N 2.84Å; L377-L382 HydrophobicContact CD1-CD1 3.71Å; L377-A385 HydrophobicContact CB-CB 4.04Å |
| 378 | E | 94.7 | Very high | 96.2 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -37.7 | 176.7 | -171.5 | 176.2 | -173.9 | 0 | 0 | 112.4 | R6 I17 P53 N353 I374 R375 L376 G380 | R6-E378 IonicContact CZ-OE1 2.66Å; R6-E378 IonicContact NH1-OE1 2.86Å; R6-E378 PolarHBondContact NH1-OE1 3.34Å; R6-E378 IonicContact NH2-OE1 2.72Å; R6-E378 PolarHBondContact NH2-OE1 2.93Å; I17-E378 WeakPolarHBondContact CD1-O 3.45Å; P53-E378 HydrophobicContact CB-CB 3.76Å; P53-E378 HydrophobicContact CB-CG 4.36Å; P53-E378 HydrophobicContact CG-CB 4.35Å; N353-E378 VanDerWaalsContact CB-CD 3.49Å; N353-E378 WeakPolarHBondContact CB-OE1 3.48Å; N353-E378 WeakPolarHBondContact CB-OE2 3.47Å; N353-E378 PolarHBondContact ND2-OE1 3.21Å; N353-E378 PolarHBondContact ND2-OE2 3.36Å; I374-E378 WeakPolarHBondContact O-CB 3.45Å; I374-E378 PolarHBondContact O-N 3.13Å; R375-E378 IonicContact CZ-OE2 2.76Å; R375-E378 IonicContact NE-OE2 3.4Å; R375-E378 VanDerWaalsContact NH1-CD 3.3Å; R375-E378 IonicContact NH1-OE1 3.72Å; R375-E378 PolarHBondContact NH1-OE1 2.96Å; R375-E378 IonicContact NH1-OE2 3.93Å; R375-E378 PolarHBondContact NH1-OE2 3.47Å; L376-E378 VanDerWaalsContact C-N 3.34Å; E378-G380 PolarHBondContact O-N 2.87Å |
| 379 | K | 94.6 | Very high | 96.1 | Very high | 103 Ų | 103 | 42.2 Ų | 42.2 | 45% | 0.448 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 5.5 | 174.9 | -66.3 | 176.9 | 178.4 | -175 | 0 | 113.6 | N13 A16 R375 L376 L377 N381 | N13-K379 WeakPolarHBondContact OD1-CA 3.19Å; A16-K379 WeakPolarHBondContact CB-O 3.32Å; R375-K379 WeakPolarHBondContact O-CG 3.23Å; R375-K379 PolarHBondContact O-N 3.2Å; L376-K379 PolarHBondContact O-N 2.86Å; L377-K379 PolarHBondContact O-N 2.72Å; K379-N381 PolarHBondContact O-N 2.91Å |
| 380 | G | 95.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 7.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V20 L376 L377 E378 L382 | V20-G380 WeakPolarHBondContact CG2-O 3.49Å; L376-G380 PolarHBondContact O-N 3.34Å; L377-G380 WeakPolarHBondContact O-CA 3.29Å; L377-G380 PolarHBondContact O-N 2.84Å; E378-G380 PolarHBondContact O-N 2.87Å; G380-L382 PolarHBondContact O-N 2.96Å |
| 381 | N | 96.1 | Very high | 95.9 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | trans | -85.3 | 79.8 | 179 | -169.8 | -19.7 | 0 | 0 | 0 | 111.1 | L376 K379 E383 A384 A385 | L376-N381 HydrophobicContact CD2-CB 4.49Å; L376-N381 PolarHBondContact O-N 2.82Å; K379-N381 PolarHBondContact O-N 2.91Å; N381-E383 PolarHBondContact O-N 2.94Å; N381-A384 HydrophobicContact CB-CB 4.48Å; N381-A384 VanDerWaalsContact CG-CB 3.48Å; N381-A384 VanDerWaalsContact OD1-CB 3.25Å; N381-A384 WeakPolarHBondContact OD1-CB 3.26Å; N381-A384 PolarHBondContact OD1-N 2.88Å; N381-A384 VanDerWaalsContact OD1-N 3.16Å; N381-A385 WeakPolarHBondContact O-CB 3.39Å; N381-A385 PolarHBondContact O-N 3.49Å | ||
| 382 | L | 94.6 | Very high | 95.8 | Very high | 20 Ų | 20 | 47 Ų | 47 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | -173.8 | -166.3 | 66.2 | 0 | 0 | 0 | 113.8 | V20 K23 I48 V49 L377 G380 A385 E386 | V20-L382 HydrophobicContact CG1-CD1 4.11Å; V20-L382 HydrophobicContact CG2-CB 4.18Å; V20-L382 HydrophobicContact CG2-CD1 4.46Å; K23-L382 HydrophobicContact CB-CD2 4.44Å; K23-L382 HydrophobicContact CD-CD2 3.55Å; I48-L382 HydrophobicContact CG2-CD1 3.61Å; I48-L382 HydrophobicContact CG2-CG 4.11Å; V49-L382 HydrophobicContact CB-CD1 4.35Å; V49-L382 HydrophobicContact CB-CD2 4.33Å; V49-L382 HydrophobicContact CG2-CD2 4.21Å; L377-L382 HydrophobicContact CD1-CD1 3.71Å; G380-L382 PolarHBondContact O-N 2.96Å; L382-A385 PolarHBondContact O-N 3.37Å; L382-E386 PolarHBondContact O-N 3.08Å |
| 383 | E | 95.1 | Very high | 95.5 | Very high | 142 Ų | 142 | 48.8 Ų | 48.8 | 66% | 0.664 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -70.4 | -45.7 | -173.9 | -70.5 | 171.4 | -162.2 | 0 | 0 | 111.5 | K23 N381 A385 E386 K387 | K23-E383 IonicContact NZ-OE1 3.96Å; N381-E383 PolarHBondContact O-N 2.94Å; E383-A385 VanDerWaalsContact C-N 3.31Å; E383-A385 PolarHBondContact O-N 2.87Å; E383-E386 PolarHBondContact O-N 3.11Å; E383-K387 PolarHBondContact O-N 3.19Å; E383-K387 VanDerWaalsContact O-N 3.13Å |
| 384 | A | 97.6 | Very high | 95.2 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L376 N381 E386 K387 E388 | L376-A384 HydrophobicContact CD1-CB 3.93Å; L376-A384 HydrophobicContact CD2-CB 3.95Å; L376-A384 HydrophobicContact CG-CB 4.38Å; N381-A384 HydrophobicContact CB-CB 4.48Å; N381-A384 VanDerWaalsContact CG-CB 3.48Å; N381-A384 VanDerWaalsContact OD1-CB 3.25Å; N381-A384 WeakPolarHBondContact OD1-CB 3.26Å; N381-A384 PolarHBondContact OD1-N 2.88Å; N381-A384 VanDerWaalsContact OD1-N 3.16Å; A384-E386 VanDerWaalsContact C-N 3.32Å; A384-E386 PolarHBondContact O-N 3.28Å; A384-K387 PolarHBondContact O-N 2.82Å; A384-E388 WeakPolarHBondContact O-CB 3.16Å; A384-E388 PolarHBondContact O-N 2.89Å |
| 385 | A | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I48 D373 L376 L377 N381 L382 E383 E388 K389 | I48-A385 HydrophobicContact CD1-CB 3.4Å; I48-A385 WeakPolarHBondContact CD1-O 3.49Å; D373-A385 WeakPolarHBondContact O-CB 3.46Å; L376-A385 HydrophobicContact CB-CB 3.64Å; L377-A385 HydrophobicContact CB-CB 4.04Å; N381-A385 WeakPolarHBondContact O-CB 3.39Å; N381-A385 PolarHBondContact O-N 3.49Å; L382-A385 PolarHBondContact O-N 3.37Å; E383-A385 VanDerWaalsContact C-N 3.31Å; E383-A385 PolarHBondContact O-N 2.87Å; A385-E388 PolarHBondContact O-N 2.85Å; A385-K389 VanDerWaalsContact O-CB 3.28Å; A385-K389 WeakPolarHBondContact O-CB 3.43Å; A385-K389 PolarHBondContact O-N 2.77Å |
| 386 | E | 94.8 | Very high | 94.9 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 177.3 | -171 | 152.2 | -131.3 | 0 | 0 | 112 | I48 L382 E383 A384 E388 K389 L390 | I48-E386 HydrophobicContact CG2-CB 3.73Å; I48-E386 HydrophobicContact CG2-CG 4.15Å; L382-E386 PolarHBondContact O-N 3.08Å; E383-E386 PolarHBondContact O-N 3.11Å; A384-E386 VanDerWaalsContact C-N 3.32Å; A384-E386 PolarHBondContact O-N 3.28Å; E386-E388 VanDerWaalsContact C-N 3.28Å; E386-E388 PolarHBondContact O-N 3.19Å; E386-K389 PolarHBondContact O-N 3.04Å; E386-L390 WeakPolarHBondContact O-CG 3.29Å; E386-L390 PolarHBondContact O-N 3.31Å |
| 387 | K | 96.3 | Very high | 94.5 | Very high | 164 Ų | 164 | 60.3 Ų | 60.3 | 71% | 0.713 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -57.3 | -44.6 | 176 | -177.9 | 179.4 | 178.3 | -178.9 | 0 | 111.4 | E383 A384 L390 R391 | E383-K387 PolarHBondContact O-N 3.19Å; E383-K387 VanDerWaalsContact O-N 3.13Å; A384-K387 PolarHBondContact O-N 2.82Å; K387-L390 PolarHBondContact O-N 2.89Å; K387-R391 PolarHBondContact O-N 3.19Å |
| 388 | E | 97.1 | Very high | 94.2 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.1 | -37.1 | -177 | -170.6 | 66.1 | 173.7 | 0 | 0 | 112.6 | P372 D373 L376 A384 A385 E386 L390 R391 L392 | P372-E388 HydrophobicContact CB-CG 3.75Å; P372-E388 WeakPolarHBondContact CB-OE1 3.47Å; P372-E388 HydrophobicContact CG-CG 3.6Å; P372-E388 WeakPolarHBondContact CG-OE1 3.29Å; D373-E388 HydrophobicContact CB-CB 3.97Å; D373-E388 HydrophobicContact CB-CG 4.03Å; L376-E388 HydrophobicContact CD1-CB 3.95Å; L376-E388 HydrophobicContact CD1-CG 4.33Å; A384-E388 WeakPolarHBondContact O-CB 3.16Å; A384-E388 PolarHBondContact O-N 2.89Å; A385-E388 PolarHBondContact O-N 2.85Å; E386-E388 VanDerWaalsContact C-N 3.28Å; E386-E388 PolarHBondContact O-N 3.19Å; E388-L390 VanDerWaalsContact C-N 3.32Å; E388-L390 PolarHBondContact O-N 3.07Å; E388-R391 VanDerWaalsContact CD-NE 3.34Å; E388-R391 PolarHBondContact O-N 3.06Å; E388-R391 IonicContact OE1-CZ 3.34Å; E388-R391 IonicContact OE1-NE 3.21Å; E388-R391 PolarHBondContact OE1-NE 3.16Å; E388-R391 IonicContact OE1-NH2 2.64Å; E388-R391 PolarHBondContact OE1-NH2 2.83Å; E388-R391 IonicContact OE2-CZ 3.81Å; E388-R391 IonicContact OE2-NE 2.91Å; E388-R391 PolarHBondContact OE2-NE 2.83Å; E388-R391 IonicContact OE2-NH2 3.83Å; E388-L392 HydrophobicContact CG-CD1 4.49Å; E388-L392 WeakPolarHBondContact O-CG 3.3Å; E388-L392 PolarHBondContact O-N 2.72Å |
| 389 | K | 94.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 172.8 | 178.9 | -174.5 | 163.3 | -161.6 | 0 | 111 | I46 I48 F105 D373 A385 E386 L392 E393 | I46-K389 PolarHBondContact O-NZ 3.35Å; I48-K389 HydrophobicContact CB-CD 4.35Å; I48-K389 HydrophobicContact CD1-CB 4.28Å; I48-K389 HydrophobicContact CD1-CD 4.2Å; I48-K389 HydrophobicContact CG1-CD 4.42Å; F105-K389 HydrophobicContact CE1-CD 4.14Å; F105-K389 HydrophobicContact CE1-CG 4.41Å; D373-K389 HydrophobicContact CB-CB 3.92Å; D373-K389 WeakPolarHBondContact OD2-CA 3.41Å; A385-K389 VanDerWaalsContact O-CB 3.28Å; A385-K389 WeakPolarHBondContact O-CB 3.43Å; A385-K389 PolarHBondContact O-N 2.77Å; E386-K389 PolarHBondContact O-N 3.04Å; K389-L392 PolarHBondContact O-N 3.43Å; K389-E393 WeakPolarHBondContact CE-OE1 3.01Å; K389-E393 IonicContact NZ-OE1 3.21Å; K389-E393 WeakPolarHBondContact O-CB 3.47Å; K389-E393 WeakPolarHBondContact O-CG 3.48Å; K389-E393 PolarHBondContact O-N 2.69Å |
| 390 | L | 92.2 | Very high | 93.8 | Very high | 91 Ų | 91 | 63.5 Ų | 63.5 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.2 | -70.3 | 171.3 | 0 | 0 | 0 | 111.7 | T45 E386 K387 E388 L392 E393 E394 | T45-L390 HydrophobicContact CG2-CD2 4.46Å; E386-L390 WeakPolarHBondContact O-CG 3.29Å; E386-L390 PolarHBondContact O-N 3.31Å; K387-L390 PolarHBondContact O-N 2.89Å; E388-L390 VanDerWaalsContact C-N 3.32Å; E388-L390 PolarHBondContact O-N 3.07Å; L390-L392 VanDerWaalsContact C-N 3.34Å; L390-L392 PolarHBondContact O-N 3.34Å; L390-E393 PolarHBondContact O-N 3.38Å; L390-E394 WeakPolarHBondContact O-CB 3.46Å; L390-E394 PolarHBondContact O-N 2.92Å |
| 391 | R | 95.9 | Very high | 93.6 | Very high | 95 Ų | 95 | 67 Ų | 67 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 176 | -169.8 | -168.8 | 66.6 | 71.5 | 0.3 | 111.7 | K387 E388 E394 K395 F446 | K387-R391 PolarHBondContact O-N 3.19Å; E388-R391 VanDerWaalsContact CD-NE 3.34Å; E388-R391 PolarHBondContact O-N 3.06Å; E388-R391 IonicContact OE1-CZ 3.34Å; E388-R391 IonicContact OE1-NE 3.21Å; E388-R391 PolarHBondContact OE1-NE 3.16Å; E388-R391 IonicContact OE1-NH2 2.64Å; E388-R391 PolarHBondContact OE1-NH2 2.83Å; E388-R391 IonicContact OE2-CZ 3.81Å; E388-R391 IonicContact OE2-NE 2.91Å; E388-R391 PolarHBondContact OE2-NE 2.83Å; E388-R391 IonicContact OE2-NH2 3.83Å; R391-E394 PolarHBondContact O-N 2.91Å; R391-K395 WeakPolarHBondContact O-CB 3.26Å; R391-K395 PolarHBondContact O-N 3.3Å; R391-F446 PolarHBondContact NH1-OXT 3.25Å; R391-F446 PolarHBondContact NH2-OXT 2.92Å |
| 392 | L | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 178.6 | -70.8 | 174.4 | 0 | 0 | 0 | 112.7 | I108 R371 P372 D373 E388 K389 L390 E394 K395 Q396 F446 | I108-L392 HydrophobicContact CD1-CB 4.29Å; I108-L392 HydrophobicContact CD1-CD1 4.45Å; I108-L392 HydrophobicContact CD1-CD2 4.14Å; R371-L392 HydrophobicContact CG-CD1 4.02Å; P372-L392 HydrophobicContact CG-CD1 4.17Å; D373-L392 HydrophobicContact CB-CD1 4.24Å; D373-L392 WeakPolarHBondContact OD1-CD1 3.44Å; E388-L392 HydrophobicContact CG-CD1 4.49Å; E388-L392 WeakPolarHBondContact O-CG 3.3Å; E388-L392 PolarHBondContact O-N 2.72Å; K389-L392 PolarHBondContact O-N 3.43Å; L390-L392 VanDerWaalsContact C-N 3.34Å; L390-L392 PolarHBondContact O-N 3.34Å; L392-E394 VanDerWaalsContact C-N 3.31Å; L392-K395 PolarHBondContact O-N 2.87Å; L392-Q396 WeakPolarHBondContact O-CG 3.47Å; L392-Q396 PolarHBondContact O-N 3.12Å; L392-F446 HydrophobicContact CD2-CB 4.36Å; L392-F446 HydrophobicContact CD2-CD1 4.33Å; L392-F446 WeakPolarHBondContact CD2-OXT 3.48Å |
| 393 | E | 90 | Very high | 93.2 | Very high | 69 Ų | 69 | 67.4 Ų | 67.4 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 174.5 | -75.4 | 177.4 | 177 | 0 | 0 | 111 | K389 L390 Q396 R397 | K389-E393 WeakPolarHBondContact CE-OE1 3.01Å; K389-E393 IonicContact NZ-OE1 3.21Å; K389-E393 WeakPolarHBondContact O-CB 3.47Å; K389-E393 WeakPolarHBondContact O-CG 3.48Å; K389-E393 PolarHBondContact O-N 2.69Å; L390-E393 PolarHBondContact O-N 3.38Å; E393-Q396 PolarHBondContact O-N 3.3Å; E393-R397 PolarHBondContact O-N 3.45Å |
| 394 | E | 91.7 | Very high | 93 | Very high | 99 Ų | 99 | 67.5 Ų | 67.5 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68 | -43.8 | 174.8 | -177 | 158.9 | -136.1 | 0 | 0 | 112.6 | L390 R391 L392 Q396 R397 L398 | L390-E394 WeakPolarHBondContact O-CB 3.46Å; L390-E394 PolarHBondContact O-N 2.92Å; R391-E394 PolarHBondContact O-N 2.91Å; L392-E394 VanDerWaalsContact C-N 3.31Å; E394-Q396 VanDerWaalsContact C-N 3.25Å; E394-Q396 PolarHBondContact O-N 3.18Å; E394-R397 PolarHBondContact O-N 3.27Å; E394-R397 VanDerWaalsContact O-N 3.12Å; E394-R397 IonicContact OE1-NH2 2.96Å; E394-R397 PolarHBondContact OE1-NH2 3.03Å; E394-L398 HydrophobicContact CG-CD1 4.18Å; E394-L398 HydrophobicContact CG-CG 4.45Å; E394-L398 WeakPolarHBondContact O-CG 3.42Å; E394-L398 PolarHBondContact O-N 3.41Å |
| 395 | K | 94.6 | Very high | 92.8 | Very high | 61 Ų | 61 | 74.2 Ų | 74.2 | 27% | 0.265 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.5 | -43.6 | 173.3 | -168.6 | -180 | -173.4 | -175.7 | 0 | 110.5 | R391 L392 A399 D444 F446 | R391-K395 WeakPolarHBondContact O-CB 3.26Å; R391-K395 PolarHBondContact O-N 3.3Å; L392-K395 PolarHBondContact O-N 2.87Å; K395-A399 WeakPolarHBondContact O-CB 3.47Å; K395-A399 PolarHBondContact O-N 3.33Å; K395-D444 PolarHBondContact NZ-O 2.67Å; K395-D444 IonicContact NZ-OD1 3.22Å; K395-D444 PolarHBondContact NZ-OD1 3.36Å; K395-D444 IonicContact NZ-OD2 2.84Å; K395-D444 PolarHBondContact NZ-OD2 3.05Å; K395-F446 PolarHBondContact NZ-O 3.35Å; K395-F446 PolarHBondContact NZ-OXT 3.23Å |
| 396 | Q | 91 | Very high | 92.5 | Very high | 32 Ų | 32 | 77.1 Ų | 77.1 | 15% | 0.15 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.1 | -78.9 | -171.1 | 66.1 | 0 | 0 | 113.6 | I108 L392 E393 E394 A399 L400 | I108-Q396 HydrophobicContact CD1-CG 4.44Å; I108-Q396 HydrophobicContact CG2-CG 3.66Å; L392-Q396 WeakPolarHBondContact O-CG 3.47Å; L392-Q396 PolarHBondContact O-N 3.12Å; E393-Q396 PolarHBondContact O-N 3.3Å; E394-Q396 VanDerWaalsContact C-N 3.25Å; E394-Q396 PolarHBondContact O-N 3.18Å; Q396-A399 PolarHBondContact O-N 3Å; Q396-L400 WeakPolarHBondContact O-CB 3.21Å; Q396-L400 PolarHBondContact O-N 3.22Å |
| 397 | R | 88.8 | Confident | 92.2 | Very high | 137 Ų | 137 | 82.3 Ų | 82.3 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 177.3 | -175 | -179.9 | 65.1 | -177.5 | -2.3 | 110.9 | E393 E394 L400 E401 | E393-R397 PolarHBondContact O-N 3.45Å; E394-R397 PolarHBondContact O-N 3.27Å; E394-R397 VanDerWaalsContact O-N 3.12Å; E394-R397 IonicContact OE1-NH2 2.96Å; E394-R397 PolarHBondContact OE1-NH2 3.03Å; R397-L400 WeakPolarHBondContact O-CB 3.38Å; R397-L400 PolarHBondContact O-N 3.16Å; R397-E401 WeakPolarHBondContact O-CG 3.38Å; R397-E401 PolarHBondContact O-N 2.92Å |
| 398 | L | 92.3 | Very high | 91.7 | Very high | 95 Ų | 95 | 81 Ų | 81 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 177.6 | -67.5 | 172.8 | 0 | 0 | 0 | 111.9 | E394 L400 E401 A402 | E394-L398 HydrophobicContact CG-CD1 4.18Å; E394-L398 HydrophobicContact CG-CG 4.45Å; E394-L398 WeakPolarHBondContact O-CG 3.42Å; E394-L398 PolarHBondContact O-N 3.41Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.02Å; L398-E401 PolarHBondContact O-N 2.77Å; L398-A402 WeakPolarHBondContact O-CB 3.14Å; L398-A402 PolarHBondContact O-N 2.92Å |
| 399 | A | 91.2 | Very high | 91.2 | Very high | 44 Ų | 44 | 87.8 Ų | 87.8 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | K395 Q396 R403 | K395-A399 WeakPolarHBondContact O-CB 3.47Å; K395-A399 PolarHBondContact O-N 3.33Å; Q396-A399 PolarHBondContact O-N 3Å; A399-R403 WeakPolarHBondContact O-CB 3.38Å; A399-R403 WeakPolarHBondContact O-CG 3.19Å; A399-R403 PolarHBondContact O-N 2.9Å; A399-R403 VanDerWaalsContact O-N 3.13Å; A399-R403 PolarHBondContact O-NE 3.16Å |
| 400 | L | 88.7 | Confident | 91 | Very high | 40 Ų | 40 | 91 Ų | 91 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 173 | -178.4 | 64.2 | 0 | 0 | 0 | 111.5 | Q396 R397 L398 R403 K404 | Q396-L400 WeakPolarHBondContact O-CB 3.21Å; Q396-L400 PolarHBondContact O-N 3.22Å; R397-L400 WeakPolarHBondContact O-CB 3.38Å; R397-L400 PolarHBondContact O-N 3.16Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.02Å; L400-R403 PolarHBondContact O-N 3.22Å; L400-K404 WeakPolarHBondContact O-CG 3.35Å; L400-K404 PolarHBondContact O-N 3.39Å |
| 401 | E | 90.3 | Very high | 91.1 | Very high | 84 Ų | 84 | 93.2 Ų | 93.2 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 177 | -72.8 | 176.1 | -169.1 | 0 | 0 | 112.2 | R397 L398 R403 K404 K405 | R397-E401 WeakPolarHBondContact O-CG 3.38Å; R397-E401 PolarHBondContact O-N 2.92Å; L398-E401 PolarHBondContact O-N 2.77Å; E401-R403 PolarHBondContact O-N 2.96Å; E401-K404 PolarHBondContact O-N 2.73Å; E401-K405 WeakPolarHBondContact O-CG 3.06Å; E401-K405 PolarHBondContact O-N 3.45Å |
| 402 | A | 92 | Very high | 91.1 | Very high | 56 Ų | 56 | 89.6 Ų | 89.6 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L398 K404 K405 S406 | L398-A402 WeakPolarHBondContact O-CB 3.14Å; L398-A402 PolarHBondContact O-N 2.92Å; A402-K404 PolarHBondContact O-N 2.81Å; A402-K405 PolarHBondContact O-N 3Å; A402-S406 PolarHBondContact O-N 2.62Å; A402-S406 PolarHBondContact O-OG 3.19Å |
| 403 | R | 91.8 | Very high | 91.1 | Very high | 47 Ų | 47 | 94.9 Ų | 94.9 | 18% | 0.177 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 176.3 | -76.3 | 179 | -67.7 | -176.7 | -0.3 | 113.2 | A399 L400 E401 K405 S406 K407 Q408 | A399-R403 WeakPolarHBondContact O-CB 3.38Å; A399-R403 WeakPolarHBondContact O-CG 3.19Å; A399-R403 PolarHBondContact O-N 2.9Å; A399-R403 VanDerWaalsContact O-N 3.13Å; A399-R403 PolarHBondContact O-NE 3.16Å; L400-R403 PolarHBondContact O-N 3.22Å; E401-R403 PolarHBondContact O-N 2.96Å; R403-K405 VanDerWaalsContact C-N 3.34Å; R403-S406 WeakPolarHBondContact CA-OG 3.36Å; R403-S406 PolarHBondContact O-N 2.73Å; R403-S406 PolarHBondContact O-OG 3.29Å; R403-K407 PolarHBondContact O-N 3.14Å; R403-Q408 PolarHBondContact O-N 3.36Å |
| 404 | K | 89.8 | Confident | 91.4 | Very high | 145 Ų | 145 | 92.4 Ų | 92.4 | 63% | 0.63 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 174 | -74.9 | 177.2 | 179.2 | 178.9 | 0 | 111.3 | L400 E401 A402 K407 | L400-K404 WeakPolarHBondContact O-CG 3.35Å; L400-K404 PolarHBondContact O-N 3.39Å; E401-K404 PolarHBondContact O-N 2.73Å; A402-K404 PolarHBondContact O-N 2.81Å; K404-K407 PolarHBondContact O-N 3.49Å |
| 405 | K | 92.6 | Very high | 91.8 | Very high | 172 Ų | 172 | 88 Ų | 88 | 75% | 0.748 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 177.2 | -71 | 175.1 | -177 | 175.6 | 0 | 112.3 | E401 A402 R403 K407 | E401-K405 WeakPolarHBondContact O-CG 3.06Å; E401-K405 PolarHBondContact O-N 3.45Å; A402-K405 PolarHBondContact O-N 3Å; R403-K405 VanDerWaalsContact C-N 3.34Å; K405-K407 VanDerWaalsContact C-N 3.26Å; K405-K407 PolarHBondContact O-N 3.38Å |
| 406 | S | 92.1 | Very high | 91.9 | Very high | 60 Ų | 60 | 87.9 Ų | 87.9 | 42% | 0.42 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -78.2 | -7.3 | 179.2 | 67.8 | 0 | 0 | 0 | 0 | 114.1 | A402 R403 Q408 | A402-S406 PolarHBondContact O-N 2.62Å; A402-S406 PolarHBondContact O-OG 3.19Å; R403-S406 WeakPolarHBondContact CA-OG 3.36Å; R403-S406 PolarHBondContact O-N 2.73Å; R403-S406 PolarHBondContact O-OG 3.29Å; S406-Q408 PolarHBondContact O-N 2.97Å; S406-Q408 VanDerWaalsContact O-N 3.1Å; S406-Q408 WeakPolarHBondContact OG-CB 3.17Å; S406-Q408 WeakPolarHBondContact OG-CG 3.36Å; S406-Q408 PolarHBondContact OG-N 3.25Å; S406-Q408 PolarHBondContact OG-OE1 3.17Å |
| 407 | K | 87.6 | Confident | 92.1 | Very high | 189 Ų | 189 | 91.6 Ų | 91.6 | 82% | 0.822 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 20.5 | -171.5 | -57.3 | -177.5 | -179.2 | 179.2 | 0 | 113.5 | R403 K404 K405 | R403-K407 PolarHBondContact O-N 3.14Å; K404-K407 PolarHBondContact O-N 3.49Å; K405-K407 VanDerWaalsContact C-N 3.26Å; K405-K407 PolarHBondContact O-N 3.38Å |
| 408 | Q | 86.6 | Confident | 92.5 | Very high | 137 Ų | 137 | 86.2 Ų | 86.2 | 64% | 0.64 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 125.8 | 176.2 | -71.5 | 178 | -18.7 | 0 | 0 | 109.7 | R403 S406 | R403-Q408 PolarHBondContact O-N 3.36Å; S406-Q408 PolarHBondContact O-N 2.97Å; S406-Q408 VanDerWaalsContact O-N 3.1Å; S406-Q408 WeakPolarHBondContact OG-CB 3.17Å; S406-Q408 WeakPolarHBondContact OG-CG 3.36Å; S406-Q408 PolarHBondContact OG-N 3.25Å; S406-Q408 PolarHBondContact OG-OE1 3.17Å |
| 409 | Q | 87 | Confident | 92.6 | Very high | 181 Ų | 181 | 85.9 Ų | 85.9 | 85% | 0.846 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 141.1 | 171 | -67.1 | -174.4 | -2.1 | 0 | 0 | 109.9 | M411 | Q409-M411 PolarHBondContact O-N 2.97Š|
| 410 | W | 90.5 | Very high | 92.9 | Very high | 76 Ų | 76 | 83.9 Ų | 83.9 | 29% | 0.288 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -72 | 127.5 | 170.4 | 177 | -92.9 | 0 | 0 | 0 | 109.7 | L109 P443 | L109-W410 HydrophobicContact CD1-CD2 4.17Å; L109-W410 HydrophobicContact CD1-CG 4.01Å; L109-W410 HydrophobicContact CD1-CZ2 4.42Å; L109-W410 HydrophobicContact CD2-CB 4.13Å; L109-W410 HydrophobicContact CD2-CD2 4.02Å; L109-W410 HydrophobicContact CD2-CG 3.8Å; L109-W410 HydrophobicContact CG-CD2 3.75Å; L109-W410 HydrophobicContact CG-CE3 4.35Å; L109-W410 HydrophobicContact CG-CG 3.9Å; L109-W410 HydrophobicContact CG-CZ2 4.17Å; W410-P443 HydrophobicContact CH2-CG 3.91Å; W410-P443 HydrophobicContact CZ3-CG 4.5Å |
| 411 | M | 92.5 | Very high | 93 | Very high | 138 Ų | 138 | 85.4 Ų | 85.4 | 68% | 0.68 | 43% | 0.43 | S | S | * | . | trans | -113.7 | 118.8 | 170.9 | -68.4 | -175.7 | 67.9 | 0 | 0 | 108.8 | Q409 | Q409-M411 PolarHBondContact O-N 2.97Š| ||
| 412 | P | 96 | Very high | 93.2 | Very high | 19 Ų | 19 | 83.3 Ų | 83.3 | 12% | 0.123 | 42% | 0.42 | C | S | . | . | trans | -57 | 148.7 | 171.1 | -22 | 34.6 | 0 | 0 | 0 | 110.8 | E125 V127 W428 | E125-P412 WeakPolarHBondContact OE1-CA 3.48Å; E125-P412 WeakPolarHBondContact OE1-CB 3.47Å; V127-P412 HydrophobicContact CB-CB 4.05Å; V127-P412 HydrophobicContact CB-CG 3.6Å; V127-P412 HydrophobicContact CG1-CB 3.86Å; V127-P412 HydrophobicContact CG1-CG 3.99Å; V127-P412 WeakPolarHBondContact O-CG 3.4Å; P412-W428 HydrophobicContact CB-CZ3 4.39Å; P412-W428 HydrophobicContact CG-CE3 4.19Å; P412-W428 HydrophobicContact CG-CH2 3.81Å; P412-W428 HydrophobicContact CG-CZ3 3.51Å | ||
| 413 | R | 95.8 | Very high | 93.3 | Very high | 112 Ų | 112 | 82.5 Ų | 82.5 | 42% | 0.423 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -86.4 | -35.9 | -174 | -73.6 | -79.4 | -172.5 | -99.6 | 1.2 | 112 | E125 K441 | E125-R413 PolarHBondContact OE1-N 2.61Å; E125-R413 PolarHBondContact OE2-N 2.82Å; R413-K441 PolarHBondContact NE-O 3.45Å; R413-K441 PolarHBondContact NH2-O 2.93Å |
| 414 | W | 97.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 86.3 Ų | 86.3 | 6% | 0.061 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -110.9 | -15.9 | -164.4 | -46.6 | 121.5 | 0 | 0 | 0 | 112.7 | E125 F430 T431 Y434 W439 | E125-W414 WeakPolarHBondContact OE2-CB 3.36Å; E125-W414 PolarHBondContact OE2-N 3.5Å; W414-F430 WeakPolarHBondContact O-CD2 3.34Å; W414-T431 WeakPolarHBondContact O-CB 2.98Å; W414-T431 WeakPolarHBondContact O-CG2 3.22Å; W414-T431 PolarHBondContact O-N 3.25Å; W414-T431 PolarHBondContact O-OG1 3.11Å; W414-Y434 HydrophobicContact CB-CD2 4.22Å; W414-Y434 AromaticContact CD1-CD2 3.65Å; W414-Y434 AromaticContact CD2-CD2 3.57Å; W414-Y434 HydrophobicContact CD2-CD2 3.57Å; W414-Y434 HydrophobicContact CD2-CG 4.28Å; W414-Y434 AromaticContact CE2-CD2 3.66Å; W414-Y434 VanDerWaalsContact CE3-CA 3.43Å; W414-Y434 HydrophobicContact CE3-CD2 4.21Å; W414-Y434 AromaticContact CG-CD2 3.54Å; W414-Y434 HydrophobicContact CG-CD2 3.54Å; W414-Y434 HydrophobicContact CG-CE2 4.46Å; W414-Y434 HydrophobicContact CG-CG 4.34Å; W414-Y434 HydrophobicContact CZ2-CD2 4.33Å; W414-Y434 AromaticContact NE1-CD2 3.71Å; W414-Y434 AromaticContact NE1-CE2 4Å; W414-W439 AromaticContact CH2-CE3 3.93Å; W414-W439 HydrophobicContact CH2-CE3 3.93Å; W414-W439 AromaticContact CH2-CZ3 3.8Å; W414-W439 HydrophobicContact CH2-CZ3 3.8Å; W414-W439 AromaticContact CZ2-CE3 3.9Å; W414-W439 HydrophobicContact CZ2-CE3 3.9Å; W414-W439 AromaticContact CZ2-CZ3 3.76Å; W414-W439 HydrophobicContact CZ2-CZ3 3.76Å |
| 415 | F | 98.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 86.2 Ų | 86.2 | 3% | 0.026 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.5 | 177.1 | -62.2 | -97.7 | 0 | 0 | 0 | 110.8 | E125 V127 A135 H137 W428 L429 F430 | E125-F415 HydrophobicContact CB-CD2 3.66Å; E125-F415 HydrophobicContact CB-CE2 3.73Å; E125-F415 PolarHBondContact OE2-N 3.32Å; V127-F415 HydrophobicContact CG1-CB 3.96Å; V127-F415 HydrophobicContact CG1-CD2 4.18Å; V127-F415 HydrophobicContact CG1-CG 4.26Å; A135-F415 HydrophobicContact CB-CB 4.37Å; A135-F415 HydrophobicContact CB-CD1 3.63Å; A135-F415 HydrophobicContact CB-CD2 3.98Å; A135-F415 HydrophobicContact CB-CE1 3.82Å; A135-F415 HydrophobicContact CB-CE2 4.18Å; A135-F415 HydrophobicContact CB-CG 3.72Å; A135-F415 HydrophobicContact CB-CZ 4.11Å; H137-F415 HydrophobicContact CB-CE1 4.03Å; H137-F415 HydrophobicContact CB-CZ 4.18Å; F415-W428 HydrophobicContact CB-CB 4.28Å; F415-W428 HydrophobicContact CB-CE3 4.37Å; F415-L429 CarbonylContact C-O 3.48Å; F415-L429 VanDerWaalsContact CA-O 3.23Å; F415-L429 WeakPolarHBondContact CA-O 3.47Å; F415-F430 HydrophobicContact CD1-CB 4.15Å; F415-F430 HydrophobicContact CD1-CD2 4.5Å; F415-F430 HydrophobicContact CE1-CB 3.89Å; F415-F430 HydrophobicContact CE1-CD2 4.09Å; F415-F430 HydrophobicContact CE1-CG 4.42Å; F415-F430 HydrophobicContact CE2-CD2 4.44Å; F415-F430 HydrophobicContact CZ-CD2 4.05Å |
| 416 | S | 97.2 | Very high | 93.8 | Very high | 60 Ų | 60 | 83.1 Ų | 83.1 | 42% | 0.42 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.9 | 174.4 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | G418 W428 L429 | S416-G418 PolarHBondContact O-N 3.16Å; S416-W428 CarbonylContact O-C 3.59Å; S416-W428 WeakPolarHBondContact O-CA 3.47Å; S416-L429 PolarHBondContact N-O 3.5Å; S416-L429 PolarHBondContact O-N 3.07Å |
| 417 | L | 96 | Very high | 94 | Very high | 109 Ų | 109 | 80.9 Ų | 80.9 | 57% | 0.571 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 123.6 | 174.9 | -170.3 | 66.6 | 0 | 0 | 0 | 109 | P426 W428 | L417-P426 HydrophobicContact CD1-CB 4.34Å; L417-W428 HydrophobicContact CB-CE3 4.34Å; L417-W428 HydrophobicContact CB-CH2 4.43Å; L417-W428 HydrophobicContact CB-CZ3 4.17Å; L417-W428 HydrophobicContact CD1-CD2 4.36Å |
| 418 | G | 95.9 | Very high | 94.4 | Very high | 24 Ų | 24 | 74.2 Ų | 74.2 | 25% | 0.247 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | -161.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S416 P426 S427 | S416-G418 PolarHBondContact O-N 3.16Å; G418-P426 CarbonylContact O-C 3.54Å; G418-P426 WeakPolarHBondContact O-CA 3.39Å; G418-S427 PolarHBondContact N-O 3.48Å; G418-S427 PolarHBondContact O-N 3.26Å |
| 419 | T | 96.3 | Very high | 95 | Very high | 88 Ų | 88 | 70.2 Ų | 70.2 | 54% | 0.54 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127 | -179.1 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | S421 N424 | T419-S421 PolarHBondContact O-N 3.36Å; T419-N424 HydrophobicContact CG2-CB 4.44Å |
| 420 | H | 95.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | trans | -67.2 | 127.2 | 175.3 | -174.5 | -66.3 | 0 | 0 | 0 | 110.6 | T169 E422 T423 N424 K425 | T169-H420 PolarHBondContact OG1-NE2 2.95Å; H420-E422 PolarHBondContact ND1-N 3.29Å; H420-E422 PolarHBondContact O-N 3.39Å; H420-T423 WeakPolarHBondContact CB-OG1 3.14Å; H420-T423 PolarHBondContact ND1-N 2.91Å; H420-T423 PolarHBondContact O-N 3.47Å; H420-N424 WeakPolarHBondContact O-CA 3.45Å; H420-N424 PolarHBondContact O-N 2.88Å; H420-K425 PolarHBondContact N-O 2.95Å | ||
| 421 | S | 92 | Very high | 95.8 | Very high | 72 Ų | 72 | 62.5 Ų | 62.5 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -46.7 | -174.2 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | T419 | T419-S421 PolarHBondContact O-N 3.36Š|
| 422 | E | 94 | Very high | 95.9 | Very high | 41 Ų | 41 | 57.5 Ų | 57.5 | 19% | 0.192 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -30.7 | -175.9 | -53.9 | -55.2 | 145.5 | 0 | 0 | 114.8 | V194 H222 R223 H420 | V194-E422 HydrophobicContact CB-CG 3.96Å; V194-E422 HydrophobicContact CG1-CG 3.56Å; V194-E422 HydrophobicContact CG2-CG 4.42Å; H222-E422 HydrophobicContact CB-CG 4.37Å; H222-E422 WeakPolarHBondContact CB-OE2 3.46Å; H222-E422 IonicContact CG-OE2 3Å; R223-E422 IonicContact CZ-OE1 2.56Å; R223-E422 IonicContact CZ-OE2 3.93Å; R223-E422 IonicContact NH1-OE1 2.73Å; R223-E422 PolarHBondContact NH1-OE1 3.35Å; R223-E422 VanDerWaalsContact NH1-OE1 3.09Å; R223-E422 IonicContact NH1-OE2 2.76Å; R223-E422 PolarHBondContact NH1-OE2 3.03Å; R223-E422 IonicContact NH2-OE1 3.49Å; R223-E422 PolarHBondContact NH2-OE1 3.29Å; R223-E422 IonicContact NH2-OE2 3.68Å; H420-E422 PolarHBondContact ND1-N 3.29Å; H420-E422 PolarHBondContact O-N 3.39Å |
| 423 | T | 94.2 | Very high | 95.8 | Very high | 38 Ų | 38 | 58.8 Ų | 58.8 | 23% | 0.233 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -11.5 | -170.8 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | L167 H420 K425 | L167-T423 HydrophobicContact CD2-CG2 3.74Å; H420-T423 WeakPolarHBondContact CB-OG1 3.14Å; H420-T423 PolarHBondContact ND1-N 2.91Å; H420-T423 PolarHBondContact O-N 3.47Å; T423-K425 PolarHBondContact O-N 3.14Å |
| 424 | N | 95 | Very high | 95.8 | Very high | 128 Ų | 128 | 53.5 Ų | 53.5 | 68% | 0.684 | 31% | 0.309 | S | S | * | . | trans | 54.1 | 19.7 | -173.2 | -64 | -55.7 | 0 | 0 | 0 | 114.3 | T419 H420 | T419-N424 HydrophobicContact CG2-CB 4.44Å; H420-N424 WeakPolarHBondContact O-CA 3.45Å; H420-N424 PolarHBondContact O-N 2.88Å | ||
| 425 | K | 94.9 | Very high | 95.6 | Very high | 142 Ų | 142 | 54.4 Ų | 54.4 | 62% | 0.617 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -94.3 | 150.7 | 177.5 | -67.2 | 179.5 | -176.9 | 178.4 | 0 | 110.7 | H420 T423 S427 | H420-K425 PolarHBondContact N-O 2.95Å; T423-K425 PolarHBondContact O-N 3.14Å; K425-S427 PolarHBondContact O-N 2.88Å |
| 426 | P | 95 | Very high | 95.3 | Very high | 108 Ų | 108 | 60.9 Ų | 60.9 | 70% | 0.701 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 132.5 | 170 | -24.5 | 34.1 | 0 | 0 | 0 | 111.4 | L417 G418 | L417-P426 HydrophobicContact CD1-CB 4.34Å; G418-P426 CarbonylContact O-C 3.54Å; G418-P426 WeakPolarHBondContact O-CA 3.39Å |
| 427 | S | 95.5 | Very high | 95 | Very high | 12 Ų | 12 | 61.8 Ų | 61.8 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 151.2 | 179.8 | -172.3 | 0 | 0 | 0 | 0 | 111 | G418 K425 | G418-S427 PolarHBondContact N-O 3.48Å; G418-S427 PolarHBondContact O-N 3.26Å; K425-S427 PolarHBondContact O-N 2.88Å |
| 428 | W | 97.5 | Very high | 94.9 | Very high | 49 Ų | 49 | 60 Ų | 60 | 19% | 0.186 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116.8 | 170.2 | -63.4 | 90.2 | 0 | 0 | 0 | 109 | V127 A135 T148 P412 F415 S416 L417 | V127-W428 HydrophobicContact CB-CD2 4.1Å; V127-W428 HydrophobicContact CB-CE3 4.25Å; V127-W428 HydrophobicContact CB-CZ2 4.48Å; V127-W428 HydrophobicContact CG1-CD2 4.48Å; V127-W428 HydrophobicContact CG1-CE3 4.46Å; V127-W428 HydrophobicContact CG2-CD2 3.83Å; V127-W428 HydrophobicContact CG2-CE3 4.48Å; V127-W428 HydrophobicContact CG2-CG 3.94Å; V127-W428 HydrophobicContact CG2-CZ2 4.33Å; A135-W428 HydrophobicContact CB-CB 4.1Å; T148-W428 HydrophobicContact CG2-CB 3.65Å; T148-W428 HydrophobicContact CG2-CG 4.07Å; P412-W428 HydrophobicContact CB-CZ3 4.39Å; P412-W428 HydrophobicContact CG-CE3 4.19Å; P412-W428 HydrophobicContact CG-CH2 3.81Å; P412-W428 HydrophobicContact CG-CZ3 3.51Å; F415-W428 HydrophobicContact CB-CB 4.28Å; F415-W428 HydrophobicContact CB-CE3 4.37Å; S416-W428 CarbonylContact O-C 3.59Å; S416-W428 WeakPolarHBondContact O-CA 3.47Å; L417-W428 HydrophobicContact CB-CE3 4.34Å; L417-W428 HydrophobicContact CB-CH2 4.43Å; L417-W428 HydrophobicContact CB-CZ3 4.17Å; L417-W428 HydrophobicContact CD1-CD2 4.36Å |
| 429 | L | 97.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 138 | -175.9 | -57.9 | 179.8 | 0 | 0 | 0 | 109.7 | F415 S416 | F415-L429 CarbonylContact C-O 3.48Å; F415-L429 VanDerWaalsContact CA-O 3.23Å; F415-L429 WeakPolarHBondContact CA-O 3.47Å; S416-L429 PolarHBondContact N-O 3.5Å; S416-L429 PolarHBondContact O-N 3.07Å |
| 430 | F | 98 | Very high | 94.7 | Very high | 39 Ų | 39 | 61 Ų | 61 | 17% | 0.171 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 132.4 | 178.3 | -179.5 | -125 | 0 | 0 | 0 | 111 | C123 H137 W414 F415 G432 W435 | C123-F430 WeakPolarHBondContact SG-CE2 3.36Å; H137-F430 HydrophobicContact CB-CB 3.7Å; H137-F430 HydrophobicContact CB-CD1 4.12Å; H137-F430 HydrophobicContact CB-CD2 4.24Å; H137-F430 HydrophobicContact CB-CG 3.76Å; H137-F430 AromaticContact CD2-CD1 3.44Å; H137-F430 VanDerWaalsContact CD2-CD1 3.44Å; H137-F430 WeakPolarHBondContact CD2-CD1 3.34Å; H137-F430 AromaticContact CD2-CE1 3.91Å; H137-F430 AromaticContact CE1-CD1 3.86Å; H137-F430 AromaticContact CG-CD1 3.54Å; H137-F430 AromaticContact CG-CG 3.64Å; H137-F430 WeakPolarHBondContact ND1-CB 3.42Å; H137-F430 AromaticContact ND1-CD1 3.82Å; H137-F430 AromaticContact ND1-CG 3.94Å; H137-F430 AromaticContact NE2-CD1 3.64Å; W414-F430 WeakPolarHBondContact O-CD2 3.34Å; F415-F430 HydrophobicContact CD1-CB 4.15Å; F415-F430 HydrophobicContact CD1-CD2 4.5Å; F415-F430 HydrophobicContact CE1-CB 3.89Å; F415-F430 HydrophobicContact CE1-CD2 4.09Å; F415-F430 HydrophobicContact CE1-CG 4.42Å; F415-F430 HydrophobicContact CE2-CD2 4.44Å; F415-F430 HydrophobicContact CZ-CD2 4.05Å; F430-G432 VanDerWaalsContact CZ-CA 3.48Å; F430-W435 AromaticContact CE1-CD1 3.53Å; F430-W435 AromaticContact CE1-NE1 3.35Å; F430-W435 AromaticContact CZ-CD1 3.32Å; F430-W435 HydrophobicContact CZ-CG 4.29Å; F430-W435 AromaticContact CZ-NE1 3.23Å |
| 431 | T | 96.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 67.3 Ų | 67.3 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | trans | -84.5 | -12.5 | -176.1 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | W414 T433 | W414-T431 WeakPolarHBondContact O-CB 2.98Å; W414-T431 WeakPolarHBondContact O-CG2 3.22Å; W414-T431 PolarHBondContact O-N 3.25Å; W414-T431 PolarHBondContact O-OG1 3.11Å; T431-T433 PolarHBondContact O-N 3.24Å; T431-T433 PolarHBondContact OG1-N 3.17Å; T431-T433 PolarHBondContact OG1-OG1 3.34Å | ||
| 432 | G | 94.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 65 Ų | 65 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 82.1 | -21.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F430 Y434 W435 | F430-G432 VanDerWaalsContact CZ-CA 3.48Å; G432-Y434 PolarHBondContact O-N 3.15Å; G432-W435 PolarHBondContact O-N 2.71Å |
| 433 | T | 94.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -72.6 | -23.1 | -168.3 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | T431 W435 Q436 | T431-T433 PolarHBondContact O-N 3.24Å; T431-T433 PolarHBondContact OG1-N 3.17Å; T431-T433 PolarHBondContact OG1-OG1 3.34Å; T433-W435 PolarHBondContact O-N 3.24Å; T433-W435 VanDerWaalsContact O-N 3.07Å; T433-Q436 VanDerWaalsContact O-CB 3.27Å; T433-Q436 WeakPolarHBondContact O-CB 3.42Å; T433-Q436 PolarHBondContact O-N 2.72Å |
| 434 | Y | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 0% | 0.004 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -52 | -36.7 | 177.1 | -175.3 | -89.4 | 0 | 0 | 0 | 112.1 | T112 Q114 C123 P364 W414 G432 Q436 R437 W439 | T112-Y434 HydrophobicContact CG2-CE2 4.23Å; Q114-Y434 HydrophobicContact CB-CE1 3.96Å; Q114-Y434 WeakPolarHBondContact CB-OH 3.3Å; Q114-Y434 VanDerWaalsContact OE1-CE1 3.32Å; Q114-Y434 PolarHBondContact OE1-OH 3.21Å; C123-Y434 HydrophobicContact CB-CD1 3.68Å; C123-Y434 HydrophobicContact CB-CD2 4.38Å; C123-Y434 HydrophobicContact CB-CE1 3.86Å; C123-Y434 HydrophobicContact CB-CG 3.99Å; P364-Y434 WeakPolarHBondContact CD-OH 3.46Å; P364-Y434 HydrophobicContact CG-CE2 4.3Å; P364-Y434 WeakPolarHBondContact CG-OH 3.07Å; W414-Y434 HydrophobicContact CB-CD2 4.22Å; W414-Y434 AromaticContact CD1-CD2 3.65Å; W414-Y434 AromaticContact CD2-CD2 3.57Å; W414-Y434 HydrophobicContact CD2-CD2 3.57Å; W414-Y434 HydrophobicContact CD2-CG 4.28Å; W414-Y434 AromaticContact CE2-CD2 3.66Å; W414-Y434 VanDerWaalsContact CE3-CA 3.43Å; W414-Y434 HydrophobicContact CE3-CD2 4.21Å; W414-Y434 AromaticContact CG-CD2 3.54Å; W414-Y434 HydrophobicContact CG-CD2 3.54Å; W414-Y434 HydrophobicContact CG-CE2 4.46Å; W414-Y434 HydrophobicContact CG-CG 4.34Å; W414-Y434 HydrophobicContact CZ2-CD2 4.33Å; W414-Y434 AromaticContact NE1-CD2 3.71Å; W414-Y434 AromaticContact NE1-CE2 4Å; G432-Y434 PolarHBondContact O-N 3.15Å; Y434-Q436 VanDerWaalsContact C-N 3.28Å; Y434-Q436 PolarHBondContact O-N 3.5Å; Y434-R437 PolarHBondContact O-N 2.79Å; Y434-W439 HydrophobicContact CD1-CH2 4.37Å; Y434-W439 HydrophobicContact CD2-CH2 4.41Å; Y434-W439 HydrophobicContact CD2-CZ3 4.25Å; Y434-W439 HydrophobicContact CE1-CH2 4.08Å; Y434-W439 HydrophobicContact CE2-CH2 4.16Å; Y434-W439 HydrophobicContact CE2-CZ3 4.18Å; Y434-W439 AromaticContact CZ-CH2 3.96Å; Y434-W439 VanDerWaalsContact O-CH2 3.27Å; Y434-W439 WeakPolarHBondContact O-CH2 3.45Å |
| 435 | W | 92.8 | Very high | 94.5 | Very high | 34 Ų | 34 | 64 Ų | 64 | 13% | 0.129 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -81.5 | -5.5 | -175.9 | -54.9 | 125.8 | 0 | 0 | 0 | 114.6 | R121 C123 F430 G432 T433 | R121-W435 HydrophobicContact CB-CH2 4.05Å; R121-W435 HydrophobicContact CB-CZ2 4.35Å; R121-W435 HydrophobicContact CG-CH2 3.97Å; R121-W435 HydrophobicContact CG-CZ2 3.83Å; R121-W435 VanDerWaalsContact CZ-CG 3.46Å; R121-W435 VanDerWaalsContact NE-CD2 3.32Å; C123-W435 HydrophobicContact CB-CH2 3.97Å; C123-W435 HydrophobicContact CB-CZ2 3.72Å; F430-W435 AromaticContact CE1-CD1 3.53Å; F430-W435 AromaticContact CE1-NE1 3.35Å; F430-W435 AromaticContact CZ-CD1 3.32Å; F430-W435 HydrophobicContact CZ-CG 4.29Å; F430-W435 AromaticContact CZ-NE1 3.23Å; G432-W435 PolarHBondContact O-N 2.71Å; T433-W435 PolarHBondContact O-N 3.24Å; T433-W435 VanDerWaalsContact O-N 3.07Å |
| 436 | Q | 93.3 | Very high | 94.5 | Very high | 142 Ų | 142 | 58.9 Ų | 58.9 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -74.6 | -14 | 167.8 | -59 | 171.3 | 4.3 | 0 | 0 | 111.5 | T433 Y434 D438 | T433-Q436 VanDerWaalsContact O-CB 3.27Å; T433-Q436 WeakPolarHBondContact O-CB 3.42Å; T433-Q436 PolarHBondContact O-N 2.72Å; Y434-Q436 VanDerWaalsContact C-N 3.28Å; Y434-Q436 PolarHBondContact O-N 3.5Å; Q436-D438 PolarHBondContact O-N 3.09Å |
| 437 | R | 91.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | trans | 58.7 | 29.2 | 174.8 | -57 | 178.3 | 175.8 | -93.3 | 5.5 | 114.4 | T361 S362 Y434 W439 | T361-R437 VanDerWaalsContact CB-CZ 3.44Å; T361-R437 VanDerWaalsContact CB-NH2 3.31Å; T361-R437 PolarHBondContact OG1-NH1 3.07Å; T361-R437 VanDerWaalsContact OG1-NH1 3.16Å; T361-R437 PolarHBondContact OG1-NH2 3.23Å; T361-R437 VanDerWaalsContact OG1-NH2 3.16Å; S362-R437 PolarHBondContact O-NH1 3.19Å; Y434-R437 PolarHBondContact O-N 2.79Å; R437-W439 HydrophobicContact CB-CH2 4.26Å; R437-W439 HydrophobicContact CB-CZ2 3.79Å; R437-W439 HydrophobicContact CG-CH2 4.22Å; R437-W439 HydrophobicContact CG-CZ2 3.85Å; R437-W439 PolarHBondContact O-N 3.25Å | ||
| 438 | D | 93.7 | Very high | 94.4 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | trans | -82.6 | 95.1 | 169.9 | 178 | 14.9 | 0 | 0 | 0 | 110.2 | Q436 S440 | Q436-D438 PolarHBondContact O-N 3.09Å; D438-S440 VanDerWaalsContact C-N 3.33Å; D438-S440 WeakPolarHBondContact OD1-CB 3.4Å; D438-S440 PolarHBondContact OD1-N 3.26Å; D438-S440 PolarHBondContact OD1-OG 3.05Å; D438-S440 PolarHBondContact OD2-OG 2.72Å | ||
| 439 | W | 94.7 | Very high | 94.3 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | trans | -87.4 | 0.3 | 178.7 | -47.3 | 142.9 | 0 | 0 | 0 | 113.8 | S362 P364 W414 Y434 R437 K441 C442 | S362-W439 PolarHBondContact O-NE1 2.96Å; P364-W439 HydrophobicContact CB-CD2 3.75Å; P364-W439 HydrophobicContact CB-CE3 3.79Å; P364-W439 HydrophobicContact CB-CG 4.24Å; P364-W439 HydrophobicContact CB-CH2 4.29Å; P364-W439 HydrophobicContact CB-CZ2 4.26Å; P364-W439 HydrophobicContact CB-CZ3 4.07Å; P364-W439 HydrophobicContact CG-CH2 4.39Å; P364-W439 HydrophobicContact CG-CZ2 4.45Å; W414-W439 AromaticContact CH2-CE3 3.93Å; W414-W439 HydrophobicContact CH2-CE3 3.93Å; W414-W439 AromaticContact CH2-CZ3 3.8Å; W414-W439 HydrophobicContact CH2-CZ3 3.8Å; W414-W439 AromaticContact CZ2-CE3 3.9Å; W414-W439 HydrophobicContact CZ2-CE3 3.9Å; W414-W439 AromaticContact CZ2-CZ3 3.76Å; W414-W439 HydrophobicContact CZ2-CZ3 3.76Å; Y434-W439 HydrophobicContact CD1-CH2 4.37Å; Y434-W439 HydrophobicContact CD2-CH2 4.41Å; Y434-W439 HydrophobicContact CD2-CZ3 4.25Å; Y434-W439 HydrophobicContact CE1-CH2 4.08Å; Y434-W439 HydrophobicContact CE2-CH2 4.16Å; Y434-W439 HydrophobicContact CE2-CZ3 4.18Å; Y434-W439 AromaticContact CZ-CH2 3.96Å; Y434-W439 VanDerWaalsContact O-CH2 3.27Å; Y434-W439 WeakPolarHBondContact O-CH2 3.45Å; R437-W439 HydrophobicContact CB-CH2 4.26Å; R437-W439 HydrophobicContact CB-CZ2 3.79Å; R437-W439 HydrophobicContact CG-CH2 4.22Å; R437-W439 HydrophobicContact CG-CZ2 3.85Å; R437-W439 PolarHBondContact O-N 3.25Å; W439-K441 PolarHBondContact O-N 2.97Å; W439-K441 VanDerWaalsContact O-N 3.09Å; W439-C442 VanDerWaalsContact O-CB 3.27Å; W439-C442 WeakPolarHBondContact O-CB 3.33Å; W439-C442 PolarHBondContact O-N 2.84Å | ||
| 440 | S | 93.3 | Very high | 94.1 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.9 | -174.6 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | D438 | D438-S440 VanDerWaalsContact C-N 3.33Å; D438-S440 WeakPolarHBondContact OD1-CB 3.4Å; D438-S440 PolarHBondContact OD1-N 3.26Å; D438-S440 PolarHBondContact OD1-OG 3.05Å; D438-S440 PolarHBondContact OD2-OG 2.72Å |
| 441 | K | 90.6 | Very high | 93.8 | Very high | 136 Ų | 136 | 60.9 Ų | 60.9 | 59% | 0.591 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 2.3 | -179.4 | -60.4 | 178.9 | -174.4 | 168.5 | 0 | 113.3 | R413 W439 | R413-K441 PolarHBondContact NE-O 3.45Å; R413-K441 PolarHBondContact NH2-O 2.93Å; W439-K441 PolarHBondContact O-N 2.97Å; W439-K441 VanDerWaalsContact O-N 3.09Å |
| 442 | C | 94.9 | Very high | 93.6 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | trans | -68.8 | 133.2 | 177.5 | -73.1 | 0 | 0 | 0 | 0 | 110.1 | P365 T366 W439 | P365-C442 HydrophobicContact CG-CB 3.64Å; T366-C442 HydrophobicContact CG2-CB 4.06Å; W439-C442 VanDerWaalsContact O-CB 3.27Å; W439-C442 WeakPolarHBondContact O-CB 3.33Å; W439-C442 PolarHBondContact O-N 2.84Å | ||
| 443 | P | 93 | Very high | 93.6 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 26% | 0.26 | 32% | 0.321 | S | S | . | . | trans | -72.4 | 155 | 174.4 | 29.5 | -32.2 | 0 | 0 | 0 | 111.2 | T366 W410 L445 | T366-P443 HydrophobicContact CG2-CG 4.33Å; T366-P443 WeakPolarHBondContact CG2-O 3.46Å; W410-P443 HydrophobicContact CH2-CG 3.91Å; W410-P443 HydrophobicContact CZ3-CG 4.5Å; P443-L445 HydrophobicContact CB-CD2 4.12Å; P443-L445 HydrophobicContact CG-CD2 3.73Å; P443-L445 HydrophobicContact CG-CG 4.06Å; P443-L445 PolarHBondContact O-N 3.1Å | ||
| 444 | D | 94.1 | Very high | 93.5 | Very high | 127 Ų | 127 | 64.5 Ų | 64.5 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | trans | -76 | 100.9 | 167.2 | 172.4 | 31.2 | 0 | 0 | 0 | 110.4 | K395 | K395-D444 PolarHBondContact NZ-O 2.67Å; K395-D444 IonicContact NZ-OD1 3.22Å; K395-D444 PolarHBondContact NZ-OD1 3.36Å; K395-D444 IonicContact NZ-OD2 2.84Å; K395-D444 PolarHBondContact NZ-OD2 3.05Å | ||
| 445 | L | 94.6 | Very high | 93.4 | Very high | 20 Ų | 20 | 69.8 Ų | 69.8 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | trans | -92.6 | -33.4 | -176.5 | -64.1 | -175.6 | 0 | 0 | 0 | 114.2 | I108 L109 G110 E111 T366 P443 | I108-L445 HydrophobicContact CG2-CB 4.4Å; I108-L445 HydrophobicContact CG2-CD1 4.39Å; I108-L445 HydrophobicContact CG2-CD2 4.06Å; L109-L445 WeakPolarHBondContact O-CD2 3.43Å; G110-L445 WeakPolarHBondContact O-CD1 3.29Å; E111-L445 HydrophobicContact CB-CD1 4.34Å; E111-L445 VanDerWaalsContact N-CD1 3.34Å; T366-L445 HydrophobicContact CG2-CD1 3.46Å; T366-L445 VanDerWaalsContact CG2-CD1 3.46Å; T366-L445 HydrophobicContact CG2-CG 3.78Å; P443-L445 HydrophobicContact CB-CD2 4.12Å; P443-L445 HydrophobicContact CG-CD2 3.73Å; P443-L445 HydrophobicContact CG-CG 4.06Å; P443-L445 PolarHBondContact O-N 3.1Å | ||
| 446 | F | 94.2 | Very high | 93.4 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | trans | -94.6 | 0 | -170.1 | -54.5 | -37.3 | 0 | 0 | 0 | 111.1 | I108 E111 P365 D367 L370 R371 P372 R391 L392 K395 | I108-F446 HydrophobicContact CD1-CD1 4.05Å; I108-F446 HydrophobicContact CD1-CE1 4.05Å; I108-F446 HydrophobicContact CG1-CE1 4.5Å; E111-F446 HydrophobicContact CG-CZ 4.37Å; P365-F446 WeakPolarHBondContact O-CE2 3.3Å; D367-F446 WeakPolarHBondContact O-CE2 3.49Å; L370-F446 HydrophobicContact CB-CD2 4.14Å; L370-F446 HydrophobicContact CB-CE2 3.85Å; R371-F446 HydrophobicContact CB-CD1 4.25Å; R371-F446 HydrophobicContact CB-CE1 3.76Å; R371-F446 HydrophobicContact CB-CE2 4.26Å; R371-F446 HydrophobicContact CB-CZ 3.75Å; R371-F446 HydrophobicContact CG-CD1 3.78Å; R371-F446 HydrophobicContact CG-CE1 3.47Å; R371-F446 VanDerWaalsContact CG-CE1 3.47Å; R371-F446 HydrophobicContact CG-CZ 4.02Å; P372-F446 HydrophobicContact CG-CB 4.41Å; R391-F446 PolarHBondContact NH1-OXT 3.25Å; R391-F446 PolarHBondContact NH2-OXT 2.92Å; L392-F446 HydrophobicContact CD2-CB 4.36Å; L392-F446 HydrophobicContact CD2-CD1 4.33Å; L392-F446 WeakPolarHBondContact CD2-OXT 3.48Å; K395-F446 PolarHBondContact NZ-O 3.35Å; K395-F446 PolarHBondContact NZ-OXT 3.23Å |
Retrieved 446 of 446 residues in 308.6 ms
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