| 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 | 50.4 | Low | 82.4 | Confident | 184 Ų | 184 | 97.1 Ų | 97.1 | 91% | 0.906 | 49% | 0.492 | S | S | * | . | 0 | 116.9 | 0 | -112.6 | -179.6 | -165.3 | 0 | 0 | 107.6 | Y354 | M1-Y354 PolarHBondContact N-OH 2.91Š| |||
| 2 | L | 69.1 | Low | 83.6 | Confident | 68 Ų | 68 | 90.8 Ų | 90.8 | 36% | 0.356 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 150 | 168.3 | -68.2 | 164.3 | 0 | 0 | 0 | 108.5 | R4 | L2-R4 PolarHBondContact O-N 3.16Š|
| 3 | Y | 80.2 | Confident | 84.6 | Confident | 23 Ų | 23 | 92.5 Ų | 92.5 | 9% | 0.09 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 124.7 | 175.8 | 175.2 | -102.8 | 0 | 0 | 0 | 110.3 | Q5 D9 V11 R44 N47 | Y3-Q5 HydrophobicContact CE1-CG 4.49Å; Y3-D9 VanDerWaalsContact CE2-OD2 3.23Å; Y3-D9 WeakPolarHBondContact CE2-OD2 3.5Å; Y3-D9 VanDerWaalsContact OH-CB 3.3Å; Y3-D9 WeakPolarHBondContact OH-CB 3.36Å; Y3-D9 VanDerWaalsContact OH-CG 3.26Å; Y3-D9 PolarHBondContact OH-OD2 2.72Å; Y3-V11 HydrophobicContact CD1-CG1 4.02Å; Y3-V11 HydrophobicContact CD2-CG2 4.35Å; Y3-V11 HydrophobicContact CE1-CB 3.95Å; Y3-V11 HydrophobicContact CE1-CG1 3.49Å; Y3-V11 VanDerWaalsContact CE1-CG1 3.49Å; Y3-V11 HydrophobicContact CE1-CG2 4.48Å; Y3-V11 HydrophobicContact CE2-CB 3.99Å; Y3-V11 HydrophobicContact CE2-CG1 4.17Å; Y3-V11 HydrophobicContact CE2-CG2 3.69Å; Y3-V11 WeakPolarHBondContact OH-CB 3.44Å; Y3-R44 HydrophobicContact CD2-CG 3.78Å; Y3-R44 HydrophobicContact CE2-CG 4.3Å; Y3-R44 HydrophobicContact CG-CG 4.22Å; Y3-N47 HydrophobicContact CD1-CB 4.01Å; Y3-N47 HydrophobicContact CG-CB 4.43Å; Y3-N47 PolarHBondContact O-ND2 3.12Å |
| 4 | R | 79.5 | Confident | 85.4 | Confident | 184 Ų | 184 | 89.9 Ų | 89.9 | 69% | 0.694 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -95.1 | 125.4 | 174.3 | -173.1 | 177.7 | -177.6 | 176.9 | 4 | 109.8 | L2 C6 | L2-R4 PolarHBondContact O-N 3.16Å; R4-C6 PolarHBondContact O-N 3.18Å |
| 5 | Q | 83.7 | Confident | 86.2 | Confident | 114 Ų | 114 | 87.7 Ų | 87.7 | 53% | 0.533 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 128.2 | 178.6 | -63.8 | 178.1 | 43.1 | 0 | 0 | 110.5 | Y3 | Y3-Q5 HydrophobicContact CE1-CG 4.49Š|
| 6 | C | 86.6 | Confident | 86.9 | Confident | 66 Ų | 66 | 88.4 Ų | 88.4 | 45% | 0.446 | 45% | 0.447 | S | S | . | . | trans | -138 | 122.2 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | R4 N8 D9 E12 | R4-C6 PolarHBondContact O-N 3.18Å; C6-N8 PolarHBondContact O-N 2.7Å; C6-D9 HydrophobicContact CB-CB 4.04Å; C6-D9 VanDerWaalsContact O-CB 3.31Å; C6-D9 WeakPolarHBondContact O-CB 3.47Å; C6-D9 PolarHBondContact O-N 2.89Å; C6-E12 VanDerWaalsContact O-CG 3.27Å; C6-E12 WeakPolarHBondContact O-CG 3.28Å | ||
| 7 | S | 86.6 | Confident | 87.5 | Confident | 106 Ų | 106 | 89.2 Ų | 89.2 | 74% | 0.741 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.6 | -171.6 | 62.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 8 | N | 90.2 | Very high | 88 | Confident | 151 Ų | 151 | 85.4 Ų | 85.4 | 81% | 0.807 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 12.1 | -178.4 | -60.3 | -12.8 | 0 | 0 | 0 | 112.5 | C6 | C6-N8 PolarHBondContact O-N 2.7Š|
| 9 | D | 92.5 | Very high | 88.5 | Confident | 36 Ų | 36 | 83.3 Ų | 83.3 | 19% | 0.193 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -94.3 | 141 | -179.3 | -164.9 | -27.4 | 0 | 0 | 0 | 110.2 | Y3 C6 V11 E12 | Y3-D9 VanDerWaalsContact CE2-OD2 3.23Å; Y3-D9 WeakPolarHBondContact CE2-OD2 3.5Å; Y3-D9 VanDerWaalsContact OH-CB 3.3Å; Y3-D9 WeakPolarHBondContact OH-CB 3.36Å; Y3-D9 VanDerWaalsContact OH-CG 3.26Å; Y3-D9 PolarHBondContact OH-OD2 2.72Å; C6-D9 HydrophobicContact CB-CB 4.04Å; C6-D9 VanDerWaalsContact O-CB 3.31Å; C6-D9 WeakPolarHBondContact O-CB 3.47Å; C6-D9 PolarHBondContact O-N 2.89Å; D9-V11 PolarHBondContact O-N 3Å; D9-V11 WeakPolarHBondContact OD1-CG2 3.46Å; D9-V11 PolarHBondContact OD1-N 3.44Å; D9-E12 PolarHBondContact O-N 3.44Å |
| 10 | E | 93.3 | Very high | 89 | Confident | 130 Ų | 130 | 86.9 Ų | 86.9 | 61% | 0.607 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -57.5 | -20.3 | 178.8 | 62.7 | 179.6 | -167.3 | 0 | 0 | 113 | E12 D13 L14 | E10-E12 VanDerWaalsContact C-N 3.29Å; E10-E12 PolarHBondContact O-N 3.16Å; E10-D13 WeakPolarHBondContact O-CB 3.28Å; E10-D13 PolarHBondContact O-N 3.2Å; E10-L14 PolarHBondContact O-N 3.35Å; E10-L14 VanDerWaalsContact O-N 3.12Å |
| 11 | V | 94.5 | Very high | 89.4 | Confident | 6 Ų | 6 | 85.1 Ų | 85.1 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.2 | -33.5 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 112 | Y3 D9 L14 Y15 R44 V48 | Y3-V11 HydrophobicContact CD1-CG1 4.02Å; Y3-V11 HydrophobicContact CD2-CG2 4.35Å; Y3-V11 HydrophobicContact CE1-CB 3.95Å; Y3-V11 HydrophobicContact CE1-CG1 3.49Å; Y3-V11 VanDerWaalsContact CE1-CG1 3.49Å; Y3-V11 HydrophobicContact CE1-CG2 4.48Å; Y3-V11 HydrophobicContact CE2-CB 3.99Å; Y3-V11 HydrophobicContact CE2-CG1 4.17Å; Y3-V11 HydrophobicContact CE2-CG2 3.69Å; Y3-V11 WeakPolarHBondContact OH-CB 3.44Å; D9-V11 PolarHBondContact O-N 3Å; D9-V11 WeakPolarHBondContact OD1-CG2 3.46Å; D9-V11 PolarHBondContact OD1-N 3.44Å; V11-L14 WeakPolarHBondContact O-CB 3.47Å; V11-L14 PolarHBondContact O-N 3.18Å; V11-Y15 PolarHBondContact O-N 3.38Å; V11-R44 HydrophobicContact CG1-CB 4.11Å; V11-R44 HydrophobicContact CG1-CG 4.37Å; V11-R44 HydrophobicContact CG2-CB 3.82Å; V11-R44 HydrophobicContact CG2-CG 3.5Å; V11-V48 HydrophobicContact CG1-CG2 3.53Å |
| 12 | E | 96.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 78.3 Ų | 78.3 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -75.9 | -28.6 | 175.7 | -58.4 | -56.9 | 135.2 | 0 | 0 | 111.1 | C6 D9 E10 L14 Y15 D16 R51 | C6-E12 VanDerWaalsContact O-CG 3.27Å; C6-E12 WeakPolarHBondContact O-CG 3.28Å; D9-E12 PolarHBondContact O-N 3.44Å; E10-E12 VanDerWaalsContact C-N 3.29Å; E10-E12 PolarHBondContact O-N 3.16Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3Å; E12-Y15 WeakPolarHBondContact O-CB 3.3Å; E12-Y15 PolarHBondContact O-N 3.1Å; E12-Y15 VanDerWaalsContact O-N 3.11Å; E12-D16 PolarHBondContact O-N 3.46Å; E12-R51 VanDerWaalsContact CD-NH1 3.26Å; E12-R51 IonicContact OE1-CZ 3.98Å; E12-R51 IonicContact OE1-NH1 2.83Å; E12-R51 PolarHBondContact OE1-NH1 3.13Å; E12-R51 IonicContact OE2-CZ 3.33Å; E12-R51 IonicContact OE2-NH1 2.67Å; E12-R51 PolarHBondContact OE2-NH1 3.2Å; E12-R51 IonicContact OE2-NH2 2.88Å; E12-R51 PolarHBondContact OE2-NH2 2.97Å |
| 13 | D | 96.5 | Very high | 93 | Very high | 112 Ų | 112 | 79.4 Ų | 79.4 | 60% | 0.599 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 168.7 | -62.4 | -32.8 | 0 | 0 | 0 | 111.1 | E10 Y15 D16 I17 | E10-D13 WeakPolarHBondContact O-CB 3.28Å; E10-D13 PolarHBondContact O-N 3.2Å; D13-Y15 VanDerWaalsContact C-N 3.34Å; D13-D16 PolarHBondContact O-N 3.47Å; D13-I17 WeakPolarHBondContact O-CG2 3.05Å; D13-I17 PolarHBondContact O-N 3.49Å |
| 14 | L | 96.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 84 Ų | 84 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 172.6 | 178 | 62.9 | 0 | 0 | 0 | 111.8 | E10 V11 E12 I17 L18 V45 V48 | E10-L14 PolarHBondContact O-N 3.35Å; E10-L14 VanDerWaalsContact O-N 3.12Å; V11-L14 WeakPolarHBondContact O-CB 3.47Å; V11-L14 PolarHBondContact O-N 3.18Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3Å; L14-I17 HydrophobicContact CD1-CG2 4.2Å; L14-I17 WeakPolarHBondContact O-CG2 2.8Å; L14-L18 HydrophobicContact CD1-CD1 3.91Å; L14-L18 HydrophobicContact CD1-CG 4.13Å; L14-L18 HydrophobicContact CG-CD1 4.03Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 VanDerWaalsContact O-CG 3.25Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.27Å; L14-L18 VanDerWaalsContact O-N 3.16Å; L14-V45 HydrophobicContact CD2-CG2 4.33Å; L14-V48 HydrophobicContact CD2-CG2 4.44Å; L14-V48 HydrophobicContact CG-CG1 4.32Å |
| 15 | Y | 97.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 79.6 Ų | 79.6 | 22% | 0.22 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 174.6 | 178.8 | -91.6 | 0 | 0 | 0 | 111.4 | V11 E12 D13 L18 C19 V48 R51 L52 | V11-Y15 PolarHBondContact O-N 3.38Å; E12-Y15 WeakPolarHBondContact O-CB 3.3Å; E12-Y15 PolarHBondContact O-N 3.1Å; E12-Y15 VanDerWaalsContact O-N 3.11Å; D13-Y15 VanDerWaalsContact C-N 3.34Å; Y15-L18 PolarHBondContact O-N 3.49Å; Y15-C19 WeakPolarHBondContact CE1-SG 3.21Å; Y15-C19 PolarHBondContact O-N 3.05Å; Y15-C19 PolarHBondContact O-SG 2.83Å; Y15-C19 VanDerWaalsContact O-SG 3.38Å; Y15-V48 HydrophobicContact CD2-CG1 4.14Å; Y15-R51 HydrophobicContact CD2-CB 4.31Å; Y15-R51 HydrophobicContact CE2-CB 3.8Å; Y15-L52 HydrophobicContact CD2-CD1 4.17Å; Y15-L52 HydrophobicContact CD2-CD2 3.99Å; Y15-L52 HydrophobicContact CD2-CG 3.92Å; Y15-L52 HydrophobicContact CE2-CD1 4.33Å; Y15-L52 HydrophobicContact CE2-CD2 3.33Å; Y15-L52 HydrophobicContact CE2-CG 3.64Å |
| 16 | D | 96.8 | Very high | 95.3 | Very high | 99 Ų | 99 | 78.9 Ų | 78.9 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | -177.9 | -75 | -14.6 | 0 | 0 | 0 | 112.5 | E12 D13 L18 C19 R20 | E12-D16 PolarHBondContact O-N 3.46Å; D13-D16 PolarHBondContact O-N 3.47Å; D16-L18 VanDerWaalsContact C-N 3.34Å; D16-L18 PolarHBondContact O-N 2.73Å; D16-C19 WeakPolarHBondContact O-CB 3.47Å; D16-C19 PolarHBondContact O-N 3.44Å; D16-R20 PolarHBondContact O-N 3.34Å; D16-R20 VanDerWaalsContact O-N 3.1Å |
| 17 | I | 97.2 | Very high | 95.8 | Very high | 103 Ų | 103 | 82.7 Ų | 82.7 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 176.8 | -162.7 | 168.5 | 0 | 0 | 0 | 111.7 | D13 L14 R20 V21 | D13-I17 WeakPolarHBondContact O-CG2 3.05Å; D13-I17 PolarHBondContact O-N 3.49Å; L14-I17 HydrophobicContact CD1-CG2 4.2Å; L14-I17 WeakPolarHBondContact O-CG2 2.8Å; I17-R20 WeakPolarHBondContact O-CB 3.31Å; I17-R20 PolarHBondContact O-N 2.67Å; I17-V21 WeakPolarHBondContact O-CG2 3.5Å; I17-V21 PolarHBondContact O-N 3.23Å |
| 18 | L | 97.6 | Very high | 96.4 | Very high | 20 Ų | 20 | 79.5 Ų | 79.5 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -72.2 | -34.8 | 176.5 | -71.7 | 174.3 | 0 | 0 | 0 | 112.5 | L14 Y15 D16 R20 V21 L22 V31 V48 L52 | L14-L18 HydrophobicContact CD1-CD1 3.91Å; L14-L18 HydrophobicContact CD1-CG 4.13Å; L14-L18 HydrophobicContact CG-CD1 4.03Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 VanDerWaalsContact O-CG 3.25Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.27Å; L14-L18 VanDerWaalsContact O-N 3.16Å; Y15-L18 PolarHBondContact O-N 3.49Å; D16-L18 VanDerWaalsContact C-N 3.34Å; D16-L18 PolarHBondContact O-N 2.73Å; L18-R20 VanDerWaalsContact C-N 3.26Å; L18-R20 PolarHBondContact O-N 2.82Å; L18-V21 PolarHBondContact O-N 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 2.89Å; L18-V31 HydrophobicContact CD1-CG2 3.86Å; L18-V31 HydrophobicContact CD2-CG2 3.83Å; L18-V48 HydrophobicContact CD1-CG1 3.65Å; L18-L52 HydrophobicContact CB-CD1 3.44Å; L18-L52 VanDerWaalsContact CB-CD1 3.44Å; L18-L52 HydrophobicContact CD1-CD1 4.22Å; L18-L52 HydrophobicContact CG-CD1 4.5Å |
| 19 | C | 97.7 | Very high | 96.7 | Very high | 46 Ų | 46 | 77.5 Ų | 77.5 | 31% | 0.311 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -54.9 | -45.8 | 167.9 | -77.4 | 0 | 0 | 0 | 0 | 111 | Y15 D16 L22 S23 L52 | Y15-C19 WeakPolarHBondContact CE1-SG 3.21Å; Y15-C19 PolarHBondContact O-N 3.05Å; Y15-C19 PolarHBondContact O-SG 2.83Å; Y15-C19 VanDerWaalsContact O-SG 3.38Å; D16-C19 WeakPolarHBondContact O-CB 3.47Å; D16-C19 PolarHBondContact O-N 3.44Å; C19-L22 PolarHBondContact O-N 2.81Å; C19-S23 PolarHBondContact O-N 3.29Å; C19-L52 VanDerWaalsContact SG-CD2 3.57Å |
| 20 | R | 98.1 | Very high | 96.9 | Very high | 155 Ų | 155 | 77.3 Ų | 77.3 | 59% | 0.585 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 177 | -176.7 | 178.3 | 171.2 | -164.9 | -8.6 | 111.8 | D16 I17 L18 L22 S23 E24 | D16-R20 PolarHBondContact O-N 3.34Å; D16-R20 VanDerWaalsContact O-N 3.1Å; I17-R20 WeakPolarHBondContact O-CB 3.31Å; I17-R20 PolarHBondContact O-N 2.67Å; L18-R20 VanDerWaalsContact C-N 3.26Å; L18-R20 PolarHBondContact O-N 2.82Å; R20-L22 VanDerWaalsContact C-N 3.33Å; R20-L22 PolarHBondContact O-N 3.49Å; R20-S23 PolarHBondContact O-N 3.25Å; R20-S23 VanDerWaalsContact O-N 3.14Å; R20-S23 PolarHBondContact O-OG 2.79Å; R20-E24 IonicContact CZ-OE1 2.8Å; R20-E24 IonicContact NE-OE1 3.43Å; R20-E24 PolarHBondContact NE-OE1 2.95Å; R20-E24 IonicContact NH2-OE1 3.54Å; R20-E24 PolarHBondContact NH2-OE1 3.18Å; R20-E24 PolarHBondContact O-N 3.41Å |
| 21 | V | 97.8 | Very high | 97.1 | Very high | 50 Ų | 50 | 72.3 Ų | 72.3 | 30% | 0.303 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57 | -46.4 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | I17 L18 S23 E24 I25 V28 | I17-V21 WeakPolarHBondContact O-CG2 3.5Å; I17-V21 PolarHBondContact O-N 3.23Å; L18-V21 PolarHBondContact O-N 3.23Å; V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 3.09Å; V21-E24 PolarHBondContact O-N 3.21Å; V21-I25 WeakPolarHBondContact O-CA 3.41Å; V21-I25 PolarHBondContact O-N 2.92Å; V21-V28 HydrophobicContact CG1-CG2 4.09Å |
| 22 | L | 97.5 | Very high | 97.2 | Very high | 41 Ų | 41 | 76 Ų | 76 | 22% | 0.215 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 178 | -75.7 | 169 | 0 | 0 | 0 | 112.9 | L18 C19 R20 I25 P26 V28 L52 L54 | L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 2.89Å; C19-L22 PolarHBondContact O-N 2.81Å; R20-L22 VanDerWaalsContact C-N 3.33Å; R20-L22 PolarHBondContact O-N 3.49Å; L22-I25 CarbonylContact O-C 3.48Å; L22-P26 WeakPolarHBondContact O-CA 3.21Å; L22-V28 HydrophobicContact CD2-CB 4.22Å; L22-V28 WeakPolarHBondContact CD2-O 3.41Å; L22-L52 HydrophobicContact CD1-CB 4.07Å; L22-L52 HydrophobicContact CD1-CD1 4.37Å; L22-L52 HydrophobicContact CD1-CD2 4.36Å; L22-L54 HydrophobicContact CD1-CD1 4.06Å; L22-L54 HydrophobicContact CD1-CD2 4.39Å; L22-L54 HydrophobicContact CD1-CG 4.28Å; L22-L54 HydrophobicContact CD2-CD2 3.82Å; L22-L54 HydrophobicContact CG-CD1 4.46Å |
| 23 | S | 97.5 | Very high | 97.1 | Very high | 90 Ų | 90 | 76.1 Ų | 76.1 | 63% | 0.629 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.5 | -35.3 | 175.4 | 77.1 | 0 | 0 | 0 | 0 | 113 | C19 R20 V21 | C19-S23 PolarHBondContact O-N 3.29Å; R20-S23 PolarHBondContact O-N 3.25Å; R20-S23 VanDerWaalsContact O-N 3.14Å; R20-S23 PolarHBondContact O-OG 2.79Å; V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 3.09Å |
| 24 | E | 98.1 | Very high | 96.9 | Very high | 120 Ų | 120 | 73.4 Ų | 73.4 | 56% | 0.561 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -87.1 | -28.6 | -179 | -67.6 | -177.1 | -165.4 | 0 | 0 | 112.2 | R20 V21 | R20-E24 IonicContact CZ-OE1 2.8Å; R20-E24 IonicContact NE-OE1 3.43Å; R20-E24 PolarHBondContact NE-OE1 2.95Å; R20-E24 IonicContact NH2-OE1 3.54Å; R20-E24 PolarHBondContact NH2-OE1 3.18Å; R20-E24 PolarHBondContact O-N 3.41Å; V21-E24 PolarHBondContact O-N 3.21Å |
| 25 | I | 97.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 71.2 Ų | 71.2 | 47% | 0.472 | 41% | 0.41 | S | S | . | . | trans | -139.2 | 78.8 | -176.1 | -44 | 176.9 | 0 | 0 | 0 | 109.4 | V21 L22 D27 V28 | V21-I25 WeakPolarHBondContact O-CA 3.41Å; V21-I25 PolarHBondContact O-N 2.92Å; L22-I25 CarbonylContact O-C 3.48Å; I25-D27 PolarHBondContact O-N 2.69Å; I25-D27 VanDerWaalsContact O-N 3.1Å; I25-V28 HydrophobicContact CB-CG2 3.96Å; I25-V28 HydrophobicContact CG2-CG2 3.75Å; I25-V28 WeakPolarHBondContact O-CG2 3.3Å; I25-V28 PolarHBondContact O-N 2.97Å | ||
| 26 | P | 96.1 | Very high | 96.5 | Very high | 99 Ų | 99 | 69.4 Ų | 69.4 | 64% | 0.643 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.1 | -175 | -24.8 | 35.5 | 0 | 0 | 0 | 115.2 | L22 V28 | L22-P26 WeakPolarHBondContact O-CA 3.21Å; P26-V28 PolarHBondContact O-N 2.88Å |
| 27 | D | 97.4 | Very high | 96.1 | Very high | 145 Ų | 145 | 68.2 Ų | 68.2 | 78% | 0.775 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.5 | -179.1 | -62.4 | -23.5 | 0 | 0 | 0 | 113.4 | I25 T29 | I25-D27 PolarHBondContact O-N 2.69Å; I25-D27 VanDerWaalsContact O-N 3.1Å; D27-T29 PolarHBondContact O-N 3.26Å |
| 28 | V | 97.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 64.8 Ų | 64.8 | 24% | 0.242 | 38% | 0.383 | C | S | . | . | trans | -67.8 | 123.8 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | V21 L22 I25 P26 L54 | V21-V28 HydrophobicContact CG1-CG2 4.09Å; L22-V28 HydrophobicContact CD2-CB 4.22Å; L22-V28 WeakPolarHBondContact CD2-O 3.41Å; I25-V28 HydrophobicContact CB-CG2 3.96Å; I25-V28 HydrophobicContact CG2-CG2 3.75Å; I25-V28 WeakPolarHBondContact O-CG2 3.3Å; I25-V28 PolarHBondContact O-N 2.97Å; P26-V28 PolarHBondContact O-N 2.88Å; V28-L54 HydrophobicContact CG1-CD2 4.37Å; V28-L54 WeakPolarHBondContact O-CD2 3.14Å | ||
| 29 | T | 96.9 | Very high | 95.2 | Very high | 108 Ų | 108 | 65.6 Ų | 65.6 | 66% | 0.663 | 39% | 0.387 | S | S | * | . | trans | -114.7 | -10.3 | -178.1 | 56 | 0 | 0 | 0 | 0 | 114 | D27 R55 | D27-T29 PolarHBondContact O-N 3.26Å; T29-R55 PolarHBondContact O-N 3.35Å | ||
| 30 | A | 97.1 | Very high | 94.7 | Very high | 32 Ų | 32 | 69.5 Ų | 69.5 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 158 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R55 L57 | A30-R55 CarbonylContact C-O 3.56Å; A30-R55 WeakPolarHBondContact CA-O 3.37Å; A30-R55 HydrophobicContact CB-CB 4.06Å; A30-R55 WeakPolarHBondContact CB-O 3.33Å; A30-L57 HydrophobicContact CB-CD1 3.78Å; A30-L57 HydrophobicContact CB-CD2 4.5Å; A30-L57 HydrophobicContact CB-CG 3.98Å |
| 31 | V | 97.4 | Very high | 94.3 | Very high | 26 Ų | 26 | 66.5 Ų | 66.5 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.1 | 172.5 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | L18 V45 T49 L54 R55 L57 | L18-V31 HydrophobicContact CD1-CG2 3.86Å; L18-V31 HydrophobicContact CD2-CG2 3.83Å; V31-V45 HydrophobicContact CG1-CG1 4.28Å; V31-T49 HydrophobicContact CB-CG2 3.7Å; V31-T49 HydrophobicContact CG2-CG2 3.71Å; V31-L54 HydrophobicContact CG2-CD1 3.9Å; V31-R55 PolarHBondContact N-O 3.11Å; V31-L57 PolarHBondContact O-N 3.34Å |
| 32 | S | 96.1 | Very high | 94 | Very high | 83 Ų | 83 | 64.1 Ų | 64.1 | 58% | 0.58 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 135.8 | 173.4 | -168.3 | 0 | 0 | 0 | 0 | 110.8 | L57 | S32-L57 CarbonylContact C-O 3.58Å; S32-L57 VanDerWaalsContact CA-O 3.29Å; S32-L57 WeakPolarHBondContact CA-O 3.21Å |
| 33 | S | 94.9 | Very high | 93.5 | Very high | 24 Ų | 24 | 63.8 Ų | 63.8 | 17% | 0.168 | 37% | 0.37 | C | S | . | . | trans | -122.6 | 151.7 | 174.6 | 72.3 | 0 | 0 | 0 | 0 | 112 | L57 C58 | S33-L57 PolarHBondContact N-O 3.24Å; S33-C58 PolarHBondContact OG-SG 2.7Å | ||
| 34 | G | 92.5 | Very high | 93.4 | Very high | 55 Ų | 55 | 61.4 Ų | 61.4 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | trans | -98.5 | 6.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 35 | A | 92 | Very high | 93.2 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | trans | -65.4 | 131.8 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q41 | A35-Q41 HydrophobicContact CB-CB 3.93Å; A35-Q41 VanDerWaalsContact CB-OE1 3.26Å | ||
| 36 | I | 93.1 | Very high | 93 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.087 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -98.1 | -45.7 | -172.3 | -56.8 | 163.3 | 0 | 0 | 0 | 111.2 | L60 W61 Q62 Q65 L68 C119 E121 | I36-L60 HydrophobicContact CG1-CB 4.18Å; I36-L60 HydrophobicContact CG1-CD1 4.41Å; I36-W61 CarbonylContact O-C 3.53Å; I36-W61 VanDerWaalsContact O-CA 3.23Å; I36-W61 WeakPolarHBondContact O-CA 3.44Å; I36-Q62 PolarHBondContact O-N 2.83Å; I36-Q65 HydrophobicContact CG2-CG 3.95Å; I36-L68 HydrophobicContact CD1-CD2 3.54Å; I36-L68 HydrophobicContact CG1-CD2 3.8Å; I36-L68 HydrophobicContact CG2-CD2 4.12Å; I36-C119 HydrophobicContact CD1-CB 3.87Å; I36-E121 PolarHBondContact N-OE1 2.99Å |
| 37 | L | 88.5 | Confident | 92.8 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -125.5 | -23.1 | -176.6 | -161.8 | 67.9 | 0 | 0 | 0 | 112.6 | D39 E121 | L37-D39 PolarHBondContact O-N 3.16Å; L37-E121 HydrophobicContact CB-CG 4.01Å; L37-E121 PolarHBondContact N-OE1 3.01Å |
| 38 | S | 88.1 | Confident | 92.7 | Very high | 32 Ų | 32 | 41.7 Ų | 41.7 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | trans | -66.5 | 102.8 | -174 | -174.3 | 0 | 0 | 0 | 0 | 114.1 | Y40 Q41 R42 E121 | S38-Y40 PolarHBondContact O-N 3.13Å; S38-Q41 PolarHBondContact O-N 3.44Å; S38-Q41 PolarHBondContact OG-N 3.23Å; S38-R42 PolarHBondContact O-N 3.46Å; S38-R42 VanDerWaalsContact O-N 3.12Å; S38-E121 PolarHBondContact N-OE1 2.77Å | ||
| 39 | D | 87.1 | Confident | 92.6 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.193 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -33 | 166.9 | -80.6 | -47.2 | 0 | 0 | 0 | 112.4 | L37 Q41 R42 Y43 W61 Y490 | L37-D39 PolarHBondContact O-N 3.16Å; D39-Q41 VanDerWaalsContact C-N 3.28Å; D39-Q41 PolarHBondContact O-N 2.81Å; D39-R42 PolarHBondContact O-N 3.36Å; D39-R42 IonicContact OD1-CZ 3.41Å; D39-R42 IonicContact OD1-NE 3.35Å; D39-R42 PolarHBondContact OD1-NE 3.38Å; D39-R42 VanDerWaalsContact OD1-NE 3.13Å; D39-R42 IonicContact OD1-NH2 2.77Å; D39-R42 PolarHBondContact OD1-NH2 3.22Å; D39-Y43 HydrophobicContact CB-CD2 4.1Å; D39-Y43 HydrophobicContact CB-CE2 3.77Å; D39-Y43 WeakPolarHBondContact O-CB 3.34Å; D39-Y43 WeakPolarHBondContact O-CD2 3.45Å; D39-Y43 PolarHBondContact O-N 3.15Å; D39-W61 WeakPolarHBondContact OD1-CZ2 3.4Å; D39-W61 PolarHBondContact OD1-NE1 3.35Å; D39-Y490 PolarHBondContact OD1-OH 3.16Å; D39-Y490 WeakPolarHBondContact OD2-CE2 3.21Å; D39-Y490 PolarHBondContact OD2-OH 3.03Å |
| 40 | Y | 88 | Confident | 92.3 | Very high | 129 Ų | 129 | 41.1 Ų | 41.1 | 51% | 0.506 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.8 | -43.7 | 177 | 175.5 | -83.1 | 0 | 0 | 0 | 111.6 | S38 R44 | S38-Y40 PolarHBondContact O-N 3.13Å; Y40-R44 VanDerWaalsContact CD1-NH1 3.3Å; Y40-R44 VanDerWaalsContact CE1-NH1 3.3Å; Y40-R44 WeakPolarHBondContact O-CD 3.35Å; Y40-R44 WeakPolarHBondContact O-CG 3.41Å; Y40-R44 PolarHBondContact O-NH1 3.04Å; Y40-R44 VanDerWaalsContact OH-CZ 3.22Å; Y40-R44 PolarHBondContact OH-NH2 3Å |
| 41 | Q | 89.5 | Confident | 92.1 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 43% | 0.425 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -76.1 | -43.6 | 177.4 | -71 | 173.7 | -38.1 | 0 | 0 | 111.5 | A35 S38 D39 Y43 R44 V45 | A35-Q41 HydrophobicContact CB-CB 3.93Å; A35-Q41 VanDerWaalsContact CB-OE1 3.26Å; S38-Q41 PolarHBondContact O-N 3.44Å; S38-Q41 PolarHBondContact OG-N 3.23Å; D39-Q41 VanDerWaalsContact C-N 3.28Å; D39-Q41 PolarHBondContact O-N 2.81Å; Q41-Y43 PolarHBondContact O-N 2.82Å; Q41-R44 PolarHBondContact O-N 3.26Å; Q41-V45 PolarHBondContact O-N 3.38Å; Q41-V45 VanDerWaalsContact O-N 3.13Å |
| 42 | R | 91 | Very high | 92 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.4 | -50.9 | 178.6 | -177.3 | -178.2 | 61.4 | 80.6 | -2.3 | 111.7 | S38 D39 R44 V45 E46 W61 Y404 | S38-R42 PolarHBondContact O-N 3.46Å; S38-R42 VanDerWaalsContact O-N 3.12Å; D39-R42 PolarHBondContact O-N 3.36Å; D39-R42 IonicContact OD1-CZ 3.41Å; D39-R42 IonicContact OD1-NE 3.35Å; D39-R42 PolarHBondContact OD1-NE 3.38Å; D39-R42 VanDerWaalsContact OD1-NE 3.13Å; D39-R42 IonicContact OD1-NH2 2.77Å; D39-R42 PolarHBondContact OD1-NH2 3.22Å; R42-R44 VanDerWaalsContact C-N 3.26Å; R42-R44 PolarHBondContact O-N 2.93Å; R42-V45 PolarHBondContact O-N 3.47Å; R42-E46 HydrophobicContact CG-CG 4.2Å; R42-E46 WeakPolarHBondContact CG-OE1 3.39Å; R42-E46 VanDerWaalsContact NH1-CD 3.29Å; R42-E46 IonicContact NH1-OE1 3.81Å; R42-E46 PolarHBondContact NH1-OE1 2.93Å; R42-E46 IonicContact NH1-OE2 2.74Å; R42-E46 PolarHBondContact NH1-OE2 2.85Å; R42-E46 WeakPolarHBondContact O-CB 3.32Å; R42-E46 WeakPolarHBondContact O-CG 3.27Å; R42-E46 PolarHBondContact O-N 3.45Å; R42-W61 VanDerWaalsContact NE-CE2 3.32Å; R42-W61 VanDerWaalsContact NE-CZ2 3.32Å; R42-Y404 PolarHBondContact NH1-O 3.16Å |
| 43 | Y | 88.6 | Confident | 91.8 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -34.8 | -178.6 | -73.8 | -51.7 | 0 | 0 | 0 | 113.2 | D39 Q41 N47 | D39-Y43 HydrophobicContact CB-CD2 4.1Å; D39-Y43 HydrophobicContact CB-CE2 3.77Å; D39-Y43 WeakPolarHBondContact O-CB 3.34Å; D39-Y43 WeakPolarHBondContact O-CD2 3.45Å; D39-Y43 PolarHBondContact O-N 3.15Å; Q41-Y43 PolarHBondContact O-N 2.82Å; Y43-N47 VanDerWaalsContact O-CB 3.26Å; Y43-N47 WeakPolarHBondContact O-CB 3.3Å; Y43-N47 PolarHBondContact O-N 2.91Å |
| 44 | R | 93.5 | Very high | 91.9 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 15% | 0.151 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70 | -47.7 | 179 | -72.6 | 173.4 | 162.8 | 71.9 | 5 | 111.7 | Y3 V11 Y40 Q41 R42 N47 V48 | Y3-R44 HydrophobicContact CD2-CG 3.78Å; Y3-R44 HydrophobicContact CE2-CG 4.3Å; Y3-R44 HydrophobicContact CG-CG 4.22Å; V11-R44 HydrophobicContact CG1-CB 4.11Å; V11-R44 HydrophobicContact CG1-CG 4.37Å; V11-R44 HydrophobicContact CG2-CB 3.82Å; V11-R44 HydrophobicContact CG2-CG 3.5Å; Y40-R44 VanDerWaalsContact CD1-NH1 3.3Å; Y40-R44 VanDerWaalsContact CE1-NH1 3.3Å; Y40-R44 WeakPolarHBondContact O-CD 3.35Å; Y40-R44 WeakPolarHBondContact O-CG 3.41Å; Y40-R44 PolarHBondContact O-NH1 3.04Å; Y40-R44 VanDerWaalsContact OH-CZ 3.22Å; Y40-R44 PolarHBondContact OH-NH2 3Å; Q41-R44 PolarHBondContact O-N 3.26Å; R42-R44 VanDerWaalsContact C-N 3.26Å; R42-R44 PolarHBondContact O-N 2.93Å; R44-N47 PolarHBondContact O-N 2.99Å; R44-V48 WeakPolarHBondContact O-CG2 3.36Å; R44-V48 PolarHBondContact O-N 3.34Å; R44-V48 VanDerWaalsContact O-N 3.07Å |
| 45 | V | 94.7 | Very high | 92 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | L14 V31 Q41 R42 N47 V48 T49 | L14-V45 HydrophobicContact CD2-CG2 4.33Å; V31-V45 HydrophobicContact CG1-CG1 4.28Å; Q41-V45 PolarHBondContact O-N 3.38Å; Q41-V45 VanDerWaalsContact O-N 3.13Å; R42-V45 PolarHBondContact O-N 3.47Å; V45-N47 PolarHBondContact O-N 3.16Å; V45-V48 PolarHBondContact O-N 3.31Å; V45-T49 HydrophobicContact CG1-CG2 4.23Å; V45-T49 WeakPolarHBondContact O-CB 3.01Å; V45-T49 WeakPolarHBondContact O-CG2 3.42Å; V45-T49 PolarHBondContact O-N 2.83Å; V45-T49 PolarHBondContact O-OG1 3.27Å |
| 46 | E | 93.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.1 | -74.4 | 179.8 | 176.3 | 0 | 0 | 112 | R42 T49 R50 Q406 S407 | R42-E46 HydrophobicContact CG-CG 4.2Å; R42-E46 WeakPolarHBondContact CG-OE1 3.39Å; R42-E46 VanDerWaalsContact NH1-CD 3.29Å; R42-E46 IonicContact NH1-OE1 3.81Å; R42-E46 PolarHBondContact NH1-OE1 2.93Å; R42-E46 IonicContact NH1-OE2 2.74Å; R42-E46 PolarHBondContact NH1-OE2 2.85Å; R42-E46 WeakPolarHBondContact O-CB 3.32Å; R42-E46 WeakPolarHBondContact O-CG 3.27Å; R42-E46 PolarHBondContact O-N 3.45Å; E46-T49 WeakPolarHBondContact CA-OG1 3.4Å; E46-T49 PolarHBondContact O-OG1 3.26Å; E46-T49 VanDerWaalsContact O-OG1 3.12Å; E46-R50 WeakPolarHBondContact O-CB 3.22Å; E46-R50 PolarHBondContact O-N 2.82Å; E46-Q406 HydrophobicContact CG-CB 4.29Å; E46-Q406 PolarHBondContact OE1-N 2.83Å; E46-S407 WeakPolarHBondContact OE1-CB 3.47Å; E46-S407 PolarHBondContact OE1-N 3.09Å; E46-S407 PolarHBondContact OE1-OG 2.95Å |
| 47 | N | 91.9 | Very high | 92.4 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 177.4 | -175 | -79.1 | 0 | 0 | 0 | 112.1 | Y3 Y43 R44 V45 R51 | Y3-N47 HydrophobicContact CD1-CB 4.01Å; Y3-N47 HydrophobicContact CG-CB 4.43Å; Y3-N47 PolarHBondContact O-ND2 3.12Å; Y43-N47 VanDerWaalsContact O-CB 3.26Å; Y43-N47 WeakPolarHBondContact O-CB 3.3Å; Y43-N47 PolarHBondContact O-N 2.91Å; R44-N47 PolarHBondContact O-N 2.99Å; V45-N47 PolarHBondContact O-N 3.16Å; N47-R51 WeakPolarHBondContact O-CG 3.35Å; N47-R51 PolarHBondContact O-N 3.49Å; N47-R51 VanDerWaalsContact O-N 3.13Å; N47-R51 WeakPolarHBondContact OD1-CD 3.19Å |
| 48 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -49.7 | 180 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | V11 L14 Y15 L18 R44 V45 R50 R51 L52 | V11-V48 HydrophobicContact CG1-CG2 3.53Å; L14-V48 HydrophobicContact CD2-CG2 4.44Å; L14-V48 HydrophobicContact CG-CG1 4.32Å; Y15-V48 HydrophobicContact CD2-CG1 4.14Å; L18-V48 HydrophobicContact CD1-CG1 3.65Å; R44-V48 WeakPolarHBondContact O-CG2 3.36Å; R44-V48 PolarHBondContact O-N 3.34Å; R44-V48 VanDerWaalsContact O-N 3.07Å; V45-V48 PolarHBondContact O-N 3.31Å; V48-R50 VanDerWaalsContact C-N 3.35Å; V48-R50 PolarHBondContact O-N 3.33Å; V48-R51 PolarHBondContact O-N 3.36Å; V48-L52 HydrophobicContact CG1-CD1 4.01Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.19Å; V48-L52 VanDerWaalsContact O-N 3.14Å |
| 49 | T | 95 | Very high | 93.1 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 179.8 | 49 | 0 | 0 | 0 | 0 | 111.8 | V31 V45 E46 R51 L52 G53 L54 | V31-T49 HydrophobicContact CB-CG2 3.7Å; V31-T49 HydrophobicContact CG2-CG2 3.71Å; V45-T49 HydrophobicContact CG1-CG2 4.23Å; V45-T49 WeakPolarHBondContact O-CB 3.01Å; V45-T49 WeakPolarHBondContact O-CG2 3.42Å; V45-T49 PolarHBondContact O-N 2.83Å; V45-T49 PolarHBondContact O-OG1 3.27Å; E46-T49 WeakPolarHBondContact CA-OG1 3.4Å; E46-T49 PolarHBondContact O-OG1 3.26Å; E46-T49 VanDerWaalsContact O-OG1 3.12Å; T49-R51 PolarHBondContact O-N 2.92Å; T49-L52 CarbonylContact O-C 3.54Å; T49-L52 PolarHBondContact O-N 3.25Å; T49-L52 VanDerWaalsContact O-N 3.11Å; T49-G53 PolarHBondContact O-N 3.17Å; T49-L54 CarbonylContact C-O 3.59Å; T49-L54 WeakPolarHBondContact CB-O 3.4Å; T49-L54 HydrophobicContact CG2-CB 4.12Å; T49-L54 PolarHBondContact O-N 3.13Å |
| 50 | R | 90.7 | Very high | 93.4 | Very high | 134 Ų | 134 | 42.9 Ų | 42.9 | 51% | 0.506 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 174.5 | -176.8 | -176.5 | 65.9 | 89.9 | -1.1 | 112.6 | E46 V48 L52 G53 | E46-R50 WeakPolarHBondContact O-CB 3.22Å; E46-R50 PolarHBondContact O-N 2.82Å; V48-R50 VanDerWaalsContact C-N 3.35Å; V48-R50 PolarHBondContact O-N 3.33Å; R50-L52 PolarHBondContact O-N 3Å; R50-G53 PolarHBondContact O-N 3.44Å |
| 51 | R | 92.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 36.8 Ų | 36.8 | 25% | 0.249 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -28.1 | 178 | -74.6 | 166.4 | 58.7 | -172.4 | -1.5 | 112.8 | E12 Y15 N47 V48 T49 | E12-R51 VanDerWaalsContact CD-NH1 3.26Å; E12-R51 IonicContact OE1-CZ 3.98Å; E12-R51 IonicContact OE1-NH1 2.83Å; E12-R51 PolarHBondContact OE1-NH1 3.13Å; E12-R51 IonicContact OE2-CZ 3.33Å; E12-R51 IonicContact OE2-NH1 2.67Å; E12-R51 PolarHBondContact OE2-NH1 3.2Å; E12-R51 IonicContact OE2-NH2 2.88Å; E12-R51 PolarHBondContact OE2-NH2 2.97Å; Y15-R51 HydrophobicContact CD2-CB 4.31Å; Y15-R51 HydrophobicContact CE2-CB 3.8Å; N47-R51 WeakPolarHBondContact O-CG 3.35Å; N47-R51 PolarHBondContact O-N 3.49Å; N47-R51 VanDerWaalsContact O-N 3.13Å; N47-R51 WeakPolarHBondContact OD1-CD 3.19Å; V48-R51 PolarHBondContact O-N 3.36Å; T49-R51 PolarHBondContact O-N 2.92Å |
| 52 | L | 95.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 17% | 0.173 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 0.4 | -179.9 | -65 | 176.8 | 0 | 0 | 0 | 113.6 | Y15 L18 C19 L22 V48 T49 R50 L54 | Y15-L52 HydrophobicContact CD2-CD1 4.17Å; Y15-L52 HydrophobicContact CD2-CD2 3.99Å; Y15-L52 HydrophobicContact CD2-CG 3.92Å; Y15-L52 HydrophobicContact CE2-CD1 4.33Å; Y15-L52 HydrophobicContact CE2-CD2 3.33Å; Y15-L52 HydrophobicContact CE2-CG 3.64Å; L18-L52 HydrophobicContact CB-CD1 3.44Å; L18-L52 VanDerWaalsContact CB-CD1 3.44Å; L18-L52 HydrophobicContact CD1-CD1 4.22Å; L18-L52 HydrophobicContact CG-CD1 4.5Å; C19-L52 VanDerWaalsContact SG-CD2 3.57Å; L22-L52 HydrophobicContact CD1-CB 4.07Å; L22-L52 HydrophobicContact CD1-CD1 4.37Å; L22-L52 HydrophobicContact CD1-CD2 4.36Å; V48-L52 HydrophobicContact CG1-CD1 4.01Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.19Å; V48-L52 VanDerWaalsContact O-N 3.14Å; T49-L52 CarbonylContact O-C 3.54Å; T49-L52 PolarHBondContact O-N 3.25Å; T49-L52 VanDerWaalsContact O-N 3.11Å; R50-L52 PolarHBondContact O-N 3Å; L52-L54 HydrophobicContact CB-CD1 4.02Å; L52-L54 HydrophobicContact CB-CG 3.99Å; L52-L54 HydrophobicContact CD1-CD1 4.21Å; L52-L54 PolarHBondContact O-N 3.29Å |
| 53 | G | 93.3 | Very high | 94 | Very high | 71 Ų | 71 | 38.1 Ų | 38.1 | 73% | 0.732 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 20.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T49 R50 | T49-G53 PolarHBondContact O-N 3.17Å; R50-G53 PolarHBondContact O-N 3.44Å |
| 54 | L | 96.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -93.2 | 156.9 | 177.5 | -63.6 | 175.5 | 0 | 0 | 0 | 111.4 | L22 V28 V31 T49 L52 | L22-L54 HydrophobicContact CD1-CD1 4.06Å; L22-L54 HydrophobicContact CD1-CD2 4.39Å; L22-L54 HydrophobicContact CD1-CG 4.28Å; L22-L54 HydrophobicContact CD2-CD2 3.82Å; L22-L54 HydrophobicContact CG-CD1 4.46Å; V28-L54 HydrophobicContact CG1-CD2 4.37Å; V28-L54 WeakPolarHBondContact O-CD2 3.14Å; V31-L54 HydrophobicContact CG2-CD1 3.9Å; T49-L54 CarbonylContact C-O 3.59Å; T49-L54 WeakPolarHBondContact CB-O 3.4Å; T49-L54 HydrophobicContact CG2-CB 4.12Å; T49-L54 PolarHBondContact O-N 3.13Å; L52-L54 HydrophobicContact CB-CD1 4.02Å; L52-L54 HydrophobicContact CB-CG 3.99Å; L52-L54 HydrophobicContact CD1-CD1 4.21Å; L52-L54 PolarHBondContact O-N 3.29Å |
| 55 | R | 95.1 | Very high | 94.2 | Very high | 83 Ų | 83 | 39 Ų | 39 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.3 | 171.3 | -168 | 61.3 | 168.1 | -179.5 | -2.1 | 111.5 | T29 A30 V31 L57 Q406 I408 E457 | T29-R55 PolarHBondContact O-N 3.35Å; A30-R55 CarbonylContact C-O 3.56Å; A30-R55 WeakPolarHBondContact CA-O 3.37Å; A30-R55 HydrophobicContact CB-CB 4.06Å; A30-R55 WeakPolarHBondContact CB-O 3.33Å; V31-R55 PolarHBondContact N-O 3.11Å; R55-L57 HydrophobicContact CG-CD2 4.12Å; R55-Q406 VanDerWaalsContact CZ-O 3.27Å; R55-Q406 PolarHBondContact NH1-O 3.29Å; R55-Q406 VanDerWaalsContact NH1-O 3.13Å; R55-I408 HydrophobicContact CG-CD1 3.92Å; R55-I408 HydrophobicContact CG-CG1 4.41Å; R55-I408 VanDerWaalsContact NE-CG1 3.33Å; R55-E457 IonicContact NH2-OE1 3.72Å |
| 56 | S | 95.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.6 | 170 | -174 | 0 | 0 | 0 | 0 | 110.8 | C58 S407 I408 | S56-C58 PolarHBondContact OG-SG 3.46Å; S56-C58 VanDerWaalsContact OG-SG 3.36Å; S56-S407 VanDerWaalsContact O-CA 3.26Å; S56-S407 WeakPolarHBondContact O-CA 3.39Å; S56-I408 PolarHBondContact O-N 3.43Å |
| 57 | L | 96.6 | Very high | 94.1 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 20% | 0.199 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 106.4 | 176.4 | -50.7 | 176.6 | 0 | 0 | 0 | 109 | A30 V31 S32 S33 R55 F59 I408 | A30-L57 HydrophobicContact CB-CD1 3.78Å; A30-L57 HydrophobicContact CB-CD2 4.5Å; A30-L57 HydrophobicContact CB-CG 3.98Å; V31-L57 PolarHBondContact O-N 3.34Å; S32-L57 CarbonylContact C-O 3.58Å; S32-L57 VanDerWaalsContact CA-O 3.29Å; S32-L57 WeakPolarHBondContact CA-O 3.21Å; S33-L57 PolarHBondContact N-O 3.24Å; R55-L57 HydrophobicContact CG-CD2 4.12Å; L57-F59 HydrophobicContact CB-CD2 4.24Å; L57-F59 HydrophobicContact CB-CE2 3.8Å; L57-F59 HydrophobicContact CB-CZ 4.38Å; L57-F59 HydrophobicContact CD1-CE2 4.19Å; L57-F59 HydrophobicContact CD2-CE2 4.48Å; L57-F59 HydrophobicContact CD2-CZ 4.31Å; L57-F59 HydrophobicContact CG-CE2 4.38Å; L57-I408 HydrophobicContact CD2-CB 4.06Å; L57-I408 HydrophobicContact CD2-CD1 3.94Å; L57-I408 HydrophobicContact CD2-CG1 4.38Å |
| 58 | C | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | trans | -120.6 | 56 | -176.9 | -62 | 0 | 0 | 0 | 0 | 110.1 | S33 S56 L60 W61 S407 I408 S409 | S33-C58 PolarHBondContact OG-SG 2.7Å; S56-C58 PolarHBondContact OG-SG 3.46Å; S56-C58 VanDerWaalsContact OG-SG 3.36Å; C58-L60 PolarHBondContact O-N 2.84Å; C58-L60 VanDerWaalsContact O-N 3.09Å; C58-W61 HydrophobicContact CB-CB 3.92Å; C58-W61 WeakPolarHBondContact O-CB 3.46Å; C58-W61 PolarHBondContact O-N 2.96Å; C58-S407 WeakPolarHBondContact SG-CB 3.39Å; C58-I408 CarbonylContact C-O 3.53Å; C58-I408 PolarHBondContact N-O 3.24Å; C58-S409 VanDerWaalsContact O-CB 3.23Å; C58-S409 WeakPolarHBondContact O-CB 3.47Å | ||
| 59 | F | 95.1 | Very high | 94.2 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 31% | 0.307 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28.2 | -173.6 | -66.2 | -66.4 | 0 | 0 | 0 | 114 | L57 I408 H410 E455 | L57-F59 HydrophobicContact CB-CD2 4.24Å; L57-F59 HydrophobicContact CB-CE2 3.8Å; L57-F59 HydrophobicContact CB-CZ 4.38Å; L57-F59 HydrophobicContact CD1-CE2 4.19Å; L57-F59 HydrophobicContact CD2-CE2 4.48Å; L57-F59 HydrophobicContact CD2-CZ 4.31Å; L57-F59 HydrophobicContact CG-CE2 4.38Å; F59-I408 HydrophobicContact CE1-CG2 3.74Å; F59-I408 HydrophobicContact CZ-CG2 4.27Å; F59-H410 PolarHBondContact O-CD2 2.8Å; F59-E455 HydrophobicContact CE1-CB 4.49Å |
| 60 | L | 94.9 | Very high | 94.1 | Very high | 46 Ų | 46 | 47.3 Ų | 47.3 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.1 | 178.4 | -57.5 | -174.4 | 0 | 0 | 0 | 113.8 | I36 C58 Q62 R63 L68 | I36-L60 HydrophobicContact CG1-CB 4.18Å; I36-L60 HydrophobicContact CG1-CD1 4.41Å; C58-L60 PolarHBondContact O-N 2.84Å; C58-L60 VanDerWaalsContact O-N 3.09Å; L60-Q62 PolarHBondContact O-N 3.17Å; L60-R63 VanDerWaalsContact O-CB 3.24Å; L60-R63 WeakPolarHBondContact O-CB 3.32Å; L60-R63 PolarHBondContact O-N 3.16Å; L60-R63 VanDerWaalsContact O-N 3.1Å; L60-L68 HydrophobicContact CD1-CD2 4.38Å; L60-L68 HydrophobicContact CD2-CD1 3.84Å; L60-L68 HydrophobicContact CD2-CD2 4.34Å |
| 61 | W | 94.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 131.6 | -174.4 | -174.9 | 70.6 | 0 | 0 | 0 | 111.3 | I36 D39 R42 C58 R63 V405 W411 Y490 | I36-W61 CarbonylContact O-C 3.53Å; I36-W61 VanDerWaalsContact O-CA 3.23Å; I36-W61 WeakPolarHBondContact O-CA 3.44Å; D39-W61 WeakPolarHBondContact OD1-CZ2 3.4Å; D39-W61 PolarHBondContact OD1-NE1 3.35Å; R42-W61 VanDerWaalsContact NE-CE2 3.32Å; R42-W61 VanDerWaalsContact NE-CZ2 3.32Å; C58-W61 HydrophobicContact CB-CB 3.92Å; C58-W61 WeakPolarHBondContact O-CB 3.46Å; C58-W61 PolarHBondContact O-N 2.96Å; W61-R63 PolarHBondContact O-N 2.91Å; W61-R63 VanDerWaalsContact O-N 3.17Å; W61-V405 HydrophobicContact CE3-CG1 4.45Å; W61-V405 HydrophobicContact CH2-CG2 3.64Å; W61-V405 HydrophobicContact CZ3-CB 4.49Å; W61-V405 HydrophobicContact CZ3-CG1 3.9Å; W61-V405 HydrophobicContact CZ3-CG2 3.76Å; W61-W411 HydrophobicContact CE3-CE3 4.21Å; W61-W411 HydrophobicContact CH2-CD2 4.29Å; W61-W411 AromaticContact CH2-CE3 3.86Å; W61-W411 HydrophobicContact CH2-CE3 3.86Å; W61-W411 HydrophobicContact CH2-CH2 4.18Å; W61-W411 AromaticContact CH2-CZ3 3.79Å; W61-W411 HydrophobicContact CH2-CZ3 3.79Å; W61-W411 AromaticContact CZ3-CD2 3.8Å; W61-W411 HydrophobicContact CZ3-CD2 3.8Å; W61-W411 AromaticContact CZ3-CE3 3.26Å; W61-W411 HydrophobicContact CZ3-CE3 3.26Å; W61-W411 HydrophobicContact CZ3-CG 4.4Å; W61-W411 HydrophobicContact CZ3-CH2 4.39Å; W61-W411 AromaticContact CZ3-CZ3 3.61Å; W61-W411 HydrophobicContact CZ3-CZ3 3.61Å; W61-Y490 HydrophobicContact CZ2-CE2 4.08Å |
| 62 | Q | 93 | Very high | 94.4 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 17 | -175.1 | -63.9 | -74 | -28 | 0 | 0 | 114.7 | I36 L60 W411 | I36-Q62 PolarHBondContact O-N 2.83Å; L60-Q62 PolarHBondContact O-N 3.17Å; Q62-W411 HydrophobicContact CB-CB 3.83Å; Q62-W411 HydrophobicContact CB-CD2 4.44Å; Q62-W411 HydrophobicContact CB-CG 3.67Å; Q62-W411 HydrophobicContact CG-CD2 4.36Å; Q62-W411 HydrophobicContact CG-CG 4.09Å |
| 63 | R | 93 | Very high | 94.3 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 24% | 0.242 | 21% | 0.213 | C | C | . | . | trans | -72.7 | 147.4 | 170.6 | -169.5 | 175.9 | -179.3 | 165.9 | 4.1 | 110.3 | L60 W61 Q65 D71 | L60-R63 VanDerWaalsContact O-CB 3.24Å; L60-R63 WeakPolarHBondContact O-CB 3.32Å; L60-R63 PolarHBondContact O-N 3.16Å; L60-R63 VanDerWaalsContact O-N 3.1Å; W61-R63 PolarHBondContact O-N 2.91Å; W61-R63 VanDerWaalsContact O-N 3.17Å; R63-Q65 PolarHBondContact O-N 3.43Å; R63-D71 IonicContact CZ-OD2 3.66Å; R63-D71 IonicContact NH2-OD2 3.7Å; R63-D71 PolarHBondContact NH2-OD2 3.38Å | ||
| 64 | S | 92.7 | Very high | 94.4 | Very high | 48 Ų | 48 | 37.4 Ų | 37.4 | 34% | 0.336 | 18% | 0.181 | S | C | . | . | trans | -57.6 | 120.3 | 169.8 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | E66 E67 L68 | S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 PolarHBondContact O-N 3.45Å; S64-E67 PolarHBondContact O-N 3.25Å; S64-E67 PolarHBondContact OG-N 2.88Å; S64-L68 VanDerWaalsContact O-CB 3.3Å; S64-L68 WeakPolarHBondContact O-CB 3.37Å; S64-L68 PolarHBondContact O-N 3.21Å | ||
| 65 | Q | 93.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 20% | 0.201 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -31.3 | 179.9 | -64 | 104.3 | 4.4 | 0 | 0 | 111.9 | I36 R63 L68 L69 V118 C119 | I36-Q65 HydrophobicContact CG2-CG 3.95Å; R63-Q65 PolarHBondContact O-N 3.43Å; Q65-L68 PolarHBondContact O-N 2.74Å; Q65-L69 WeakPolarHBondContact O-CB 3.31Å; Q65-L69 PolarHBondContact O-N 2.84Å; Q65-V118 HydrophobicContact CB-CG2 3.59Å; Q65-C119 HydrophobicContact CB-CB 4.29Å; Q65-C119 HydrophobicContact CG-CB 4.36Å; Q65-C119 PolarHBondContact O-SG 2.84Å; Q65-C119 VanDerWaalsContact O-SG 3.33Å |
| 66 | E | 92.5 | Very high | 94.2 | Very high | 89 Ų | 89 | 35 Ų | 35 | 42% | 0.416 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67 | -47.3 | 176.3 | -66 | 176.3 | 175.5 | 0 | 0 | 111.3 | S64 L68 L69 E70 V118 | S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 PolarHBondContact O-N 3.45Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L69 PolarHBondContact O-N 3.1Å; E66-E70 WeakPolarHBondContact O-CG 3.43Å; E66-E70 PolarHBondContact O-N 3.47Å; E66-E70 VanDerWaalsContact O-N 3.08Å; E66-V118 HydrophobicContact CG-CG2 4.16Å |
| 67 | E | 92.6 | Very high | 94.2 | Very high | 92 Ų | 92 | 37 Ų | 37 | 43% | 0.43 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 174.9 | -66.4 | -177.2 | 174.4 | 0 | 0 | 111.1 | S64 E70 D71 | S64-E67 PolarHBondContact O-N 3.25Å; S64-E67 PolarHBondContact OG-N 2.88Å; E67-E70 WeakPolarHBondContact O-CB 3.38Å; E67-E70 PolarHBondContact O-N 3.19Å; E67-D71 PolarHBondContact O-N 3.02Å; E67-D71 VanDerWaalsContact O-OD2 3.13Å |
| 68 | L | 94.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 177.9 | 179.2 | 57.7 | 0 | 0 | 0 | 111.9 | I36 L60 S64 Q65 E66 E70 D71 I72 | I36-L68 HydrophobicContact CD1-CD2 3.54Å; I36-L68 HydrophobicContact CG1-CD2 3.8Å; I36-L68 HydrophobicContact CG2-CD2 4.12Å; L60-L68 HydrophobicContact CD1-CD2 4.38Å; L60-L68 HydrophobicContact CD2-CD1 3.84Å; L60-L68 HydrophobicContact CD2-CD2 4.34Å; S64-L68 VanDerWaalsContact O-CB 3.3Å; S64-L68 WeakPolarHBondContact O-CB 3.37Å; S64-L68 PolarHBondContact O-N 3.21Å; Q65-L68 PolarHBondContact O-N 2.74Å; E66-L68 VanDerWaalsContact C-N 3.33Å; L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 3.36Å; L68-D71 PolarHBondContact O-N 3.03Å; L68-D71 VanDerWaalsContact O-N 3.16Å; L68-I72 HydrophobicContact CD1-CD1 4.31Å; L68-I72 HydrophobicContact CD1-CG1 4.33Å; L68-I72 HydrophobicContact CG-CD1 4.06Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.36Å; L68-I72 PolarHBondContact O-N 3.45Å |
| 69 | L | 94.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -41.8 | 174.4 | 175.8 | 61.2 | 0 | 0 | 0 | 111.2 | Q65 E66 D71 I72 V73 A103 L106 V118 | Q65-L69 WeakPolarHBondContact O-CB 3.31Å; Q65-L69 PolarHBondContact O-N 2.84Å; E66-L69 PolarHBondContact O-N 3.1Å; L69-D71 VanDerWaalsContact C-N 3.32Å; L69-D71 PolarHBondContact O-N 3.2Å; L69-I72 PolarHBondContact O-N 2.85Å; L69-V73 HydrophobicContact CD1-CG2 4.47Å; L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 3.43Å; L69-V73 VanDerWaalsContact O-N 3.09Å; L69-A103 HydrophobicContact CD1-CB 4.39Å; L69-A103 HydrophobicContact CD2-CB 3.96Å; L69-A103 HydrophobicContact CG-CB 4.12Å; L69-L106 HydrophobicContact CD2-CB 4.47Å; L69-L106 HydrophobicContact CD2-CD1 4.32Å; L69-V118 HydrophobicContact CD2-CB 4.03Å; L69-V118 HydrophobicContact CD2-CG2 4.47Å |
| 70 | E | 93 | Very high | 94.4 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 174.7 | -73.4 | -179 | 173 | 0 | 0 | 112.9 | E66 E67 L68 V73 S74 R107 H190 R201 | E66-E70 WeakPolarHBondContact O-CG 3.43Å; E66-E70 PolarHBondContact O-N 3.47Å; E66-E70 VanDerWaalsContact O-N 3.08Å; E67-E70 WeakPolarHBondContact O-CB 3.38Å; E67-E70 PolarHBondContact O-N 3.19Å; L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 3.36Å; E70-V73 PolarHBondContact O-N 2.93Å; E70-S74 WeakPolarHBondContact O-CB 3Å; E70-S74 PolarHBondContact O-N 3.45Å; E70-S74 PolarHBondContact O-OG 3.3Å; E70-R107 IonicContact OE1-CZ 3.61Å; E70-R107 IonicContact OE1-NH1 2.89Å; E70-R107 PolarHBondContact OE1-NH1 3.12Å; E70-R107 IonicContact OE1-NH2 3.49Å; E70-R107 PolarHBondContact OE1-NH2 3.35Å; E70-H190 IonicContact OE1-CD2 3.31Å; E70-H190 IonicContact OE1-CE1 3Å; E70-H190 IonicContact OE1-NE2 2.78Å; E70-H190 PolarHBondContact OE1-NE2 2.97Å; E70-H190 IonicContact OE2-CD2 3.79Å; E70-H190 IonicContact OE2-NE2 2.72Å; E70-R201 IonicContact OE2-CZ 2.66Å; E70-R201 IonicContact OE2-NE 3.15Å; E70-R201 IonicContact OE2-NH1 2.6Å; E70-R201 PolarHBondContact OE2-NH1 3.22Å; E70-R201 IonicContact OE2-NH2 3.78Å |
| 71 | D | 94.2 | Very high | 94.5 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73 | -36.4 | 179.7 | -65.1 | -27.7 | 0 | 0 | 0 | 111.6 | R63 E67 L68 L69 S74 A75 R201 P203 | R63-D71 IonicContact CZ-OD2 3.66Å; R63-D71 IonicContact NH2-OD2 3.7Å; R63-D71 PolarHBondContact NH2-OD2 3.38Å; E67-D71 PolarHBondContact O-N 3.02Å; E67-D71 VanDerWaalsContact O-OD2 3.13Å; L68-D71 PolarHBondContact O-N 3.03Å; L68-D71 VanDerWaalsContact O-N 3.16Å; L69-D71 VanDerWaalsContact C-N 3.32Å; L69-D71 PolarHBondContact O-N 3.2Å; D71-S74 PolarHBondContact O-N 2.83Å; D71-A75 WeakPolarHBondContact O-CB 3.26Å; D71-A75 PolarHBondContact O-N 3.42Å; D71-R201 IonicContact OD1-CZ 3.59Å; D71-R201 VanDerWaalsContact OD1-CZ 3.23Å; D71-R201 IonicContact OD1-NE 3.7Å; D71-R201 PolarHBondContact OD1-NE 2.96Å; D71-R201 IonicContact OD1-NH2 2.9Å; D71-R201 PolarHBondContact OD1-NH2 3Å; D71-R201 IonicContact OD2-NH2 3.4Å; D71-R201 PolarHBondContact OD2-NH2 3.29Å; D71-P203 HydrophobicContact CB-CB 4.02Å; D71-P203 VanDerWaalsContact O-CB 3.3Å; D71-P203 WeakPolarHBondContact O-CB 3.43Å |
| 72 | I | 94.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 34.3 Ų | 34.3 | 21% | 0.205 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.5 | -50.8 | 171.2 | -71.9 | 166.6 | 0 | 0 | 0 | 110.1 | L68 L69 A75 I77 | L68-I72 HydrophobicContact CD1-CD1 4.31Å; L68-I72 HydrophobicContact CD1-CG1 4.33Å; L68-I72 HydrophobicContact CG-CD1 4.06Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.36Å; L68-I72 PolarHBondContact O-N 3.45Å; L69-I72 PolarHBondContact O-N 2.85Å; I72-A75 PolarHBondContact O-N 3.14Å; I72-I77 HydrophobicContact CB-CD1 4.47Å; I72-I77 HydrophobicContact CG1-CD1 4.35Å; I72-I77 HydrophobicContact CG2-CB 3.87Å; I72-I77 HydrophobicContact CG2-CD1 4.24Å; I72-I77 HydrophobicContact CG2-CG2 4.12Å; I72-I77 WeakPolarHBondContact O-CB 3.46Å; I72-I77 PolarHBondContact O-N 2.71Å |
| 73 | V | 93.9 | Very high | 94.9 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 22% | 0.218 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 178.9 | 173.3 | 0 | 0 | 0 | 0 | 111 | L69 E70 A75 G76 A103 | L69-V73 HydrophobicContact CD1-CG2 4.47Å; L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 3.43Å; L69-V73 VanDerWaalsContact O-N 3.09Å; E70-V73 PolarHBondContact O-N 2.93Å; V73-A75 VanDerWaalsContact C-N 3.31Å; V73-A75 PolarHBondContact O-N 3.2Å; V73-G76 PolarHBondContact O-N 2.86Å; V73-A103 HydrophobicContact CG2-CB 4.29Å |
| 74 | S | 94.2 | Very high | 95.1 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.7 | -24.7 | -177 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | E70 D71 G76 G188 | E70-S74 WeakPolarHBondContact O-CB 3Å; E70-S74 PolarHBondContact O-N 3.45Å; E70-S74 PolarHBondContact O-OG 3.3Å; D71-S74 PolarHBondContact O-N 2.83Å; S74-G76 PolarHBondContact O-N 2.76Å; S74-G188 WeakPolarHBondContact O-CA 3.4Å; S74-G188 PolarHBondContact O-N 3.29Å |
| 75 | A | 94.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 5% | 0.05 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -9.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D71 I72 V73 I77 P133 P203 F204 | D71-A75 WeakPolarHBondContact O-CB 3.26Å; D71-A75 PolarHBondContact O-N 3.42Å; I72-A75 PolarHBondContact O-N 3.14Å; V73-A75 VanDerWaalsContact C-N 3.31Å; V73-A75 PolarHBondContact O-N 3.2Å; A75-I77 VanDerWaalsContact C-N 3.32Å; A75-I77 HydrophobicContact CB-CD1 4.47Å; A75-I77 HydrophobicContact CB-CG1 4.16Å; A75-P133 WeakPolarHBondContact O-CG 3.24Å; A75-P203 HydrophobicContact CB-CB 3.88Å; A75-P203 HydrophobicContact CB-CG 3.89Å; A75-F204 HydrophobicContact CB-CE2 3.93Å; A75-F204 HydrophobicContact CB-CZ 4.15Å |
| 76 | G | 93.4 | Very high | 95.1 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 46% | 0.464 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 30 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V73 S74 D78 | V73-G76 PolarHBondContact O-N 2.86Å; S74-G76 PolarHBondContact O-N 2.76Å; G76-D78 PolarHBondContact O-N 2.79Å |
| 77 | I | 96 | Very high | 94.9 | Very high | 46 Ų | 46 | 32.1 Ų | 32.1 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | trans | -72.1 | 112.1 | 168 | -61.1 | 178.4 | 0 | 0 | 0 | 107.2 | I72 A75 A79 T129 | I72-I77 HydrophobicContact CB-CD1 4.47Å; I72-I77 HydrophobicContact CG1-CD1 4.35Å; I72-I77 HydrophobicContact CG2-CB 3.87Å; I72-I77 HydrophobicContact CG2-CD1 4.24Å; I72-I77 HydrophobicContact CG2-CG2 4.12Å; I72-I77 WeakPolarHBondContact O-CB 3.46Å; I72-I77 PolarHBondContact O-N 2.71Å; A75-I77 VanDerWaalsContact C-N 3.32Å; A75-I77 HydrophobicContact CB-CD1 4.47Å; A75-I77 HydrophobicContact CB-CG1 4.16Å; I77-A79 PolarHBondContact O-N 3.06Å; I77-T129 HydrophobicContact CG2-CG2 3.84Å | ||
| 78 | D | 96.6 | Very high | 94.8 | Very high | 50 Ų | 50 | 28.9 Ų | 28.9 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 98.3 | 178.7 | -175 | 19.7 | 0 | 0 | 0 | 109.6 | G76 H98 T129 L130 D131 | G76-D78 PolarHBondContact O-N 2.79Å; D78-H98 IonicContact OD1-CE1 2.76Å; D78-H98 PolarHBondContact OD1-CE1 3.3Å; D78-H98 VanDerWaalsContact OD1-CE1 3.27Å; D78-H98 IonicContact OD1-CG 3.2Å; D78-H98 IonicContact OD1-ND1 3.59Å; D78-H98 PolarHBondContact OD1-ND1 2.88Å; D78-H98 IonicContact OD2-CE1 3.85Å; D78-H98 IonicContact OD2-ND1 2.94Å; D78-T129 CarbonylContact O-C 3.43Å; D78-T129 WeakPolarHBondContact O-CA 3.31Å; D78-L130 PolarHBondContact O-N 2.8Å; D78-D131 HydrophobicContact CB-CB 3.99Å; D78-D131 PolarHBondContact N-O 3.26Å; D78-D131 PolarHBondContact O-N 2.8Å |
| 79 | A | 97.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 140.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I77 H98 L99 V128 | I77-A79 PolarHBondContact O-N 3.06Å; A79-H98 CarbonylContact O-C 3.58Å; A79-H98 WeakPolarHBondContact O-CA 3.32Å; A79-L99 HydrophobicContact CB-CD1 3.9Å; A79-L99 HydrophobicContact CB-CG 4.25Å; A79-L99 PolarHBondContact O-N 3.27Å; A79-V128 VanDerWaalsContact CA-O 3.22Å; A79-V128 WeakPolarHBondContact CA-O 3.45Å |
| 80 | I | 97.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.9 | 175.5 | 63.2 | 169.7 | 0 | 0 | 0 | 110.2 | I82 V97 H98 T127 V128 L130 L141 | I80-I82 HydrophobicContact CD1-CG2 4.33Å; I80-I82 HydrophobicContact CG1-CG2 4.09Å; I80-I82 PolarHBondContact O-N 2.83Å; I80-V97 WeakPolarHBondContact CA-O 3.45Å; I80-H98 HydrophobicContact CG2-CB 4.49Å; I80-T127 WeakPolarHBondContact O-CA 3.32Å; I80-T127 WeakPolarHBondContact O-CB 3.4Å; I80-V128 HydrophobicContact CD1-CG1 4.04Å; I80-V128 HydrophobicContact CG1-CG1 3.55Å; I80-V128 PolarHBondContact N-O 2.89Å; I80-V128 PolarHBondContact O-N 2.95Å; I80-L130 HydrophobicContact CD1-CD1 4.14Å; I80-L130 HydrophobicContact CD1-CD2 4.42Å; I80-L130 HydrophobicContact CG1-CD1 4.25Å; I80-L130 HydrophobicContact CG1-CG 4.35Å; I80-L130 HydrophobicContact CG2-CD1 3.82Å; I80-L141 HydrophobicContact CD1-CD1 4.09Å |
| 81 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 123.1 | 170.8 | -67.4 | -169.9 | 0 | 0 | 0 | 109.3 | K83 I84 F94 L95 G96 V97 L99 I102 F125 T127 | I81-K83 WeakPolarHBondContact CG2-O 3.4Å; I81-I84 HydrophobicContact CG2-CG2 3.64Å; I81-F94 WeakPolarHBondContact CB-O 3.15Å; I81-F94 HydrophobicContact CD1-CB 4.26Å; I81-F94 HydrophobicContact CD1-CD1 4.24Å; I81-L95 HydrophobicContact CG2-CD1 4.36Å; I81-G96 WeakPolarHBondContact O-CA 3.23Å; I81-G96 PolarHBondContact O-N 3.36Å; I81-V97 PolarHBondContact N-O 3.45Å; I81-L99 HydrophobicContact CD1-CD2 4.4Å; I81-L99 HydrophobicContact CG1-CD2 4Å; I81-I102 HydrophobicContact CD1-CD1 3.18Å; I81-I102 HydrophobicContact CG1-CD1 3.86Å; I81-F125 HydrophobicContact CD1-CB 4.3Å; I81-F125 HydrophobicContact CD1-CD2 4.04Å; I81-F125 HydrophobicContact CD1-CG 4.07Å; I81-F125 HydrophobicContact CG1-CD2 4.08Å; I81-F125 HydrophobicContact CG2-CB 4.19Å; I81-T127 HydrophobicContact CG1-CG2 4.24Å |
| 82 | I | 97.8 | Very high | 94.5 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -12.1 | 178.1 | 61.3 | 159.5 | 0 | 0 | 0 | 113.3 | I80 E126 V128 Y160 L161 L163 | I80-I82 HydrophobicContact CD1-CG2 4.33Å; I80-I82 HydrophobicContact CG1-CG2 4.09Å; I80-I82 PolarHBondContact O-N 2.83Å; I82-E126 HydrophobicContact CD1-CB 4.41Å; I82-E126 HydrophobicContact CG1-CB 4Å; I82-E126 WeakPolarHBondContact CG1-O 3.41Å; I82-E126 PolarHBondContact N-O 3.23Å; I82-V128 HydrophobicContact CD1-CB 4.38Å; I82-V128 HydrophobicContact CG2-CB 3.87Å; I82-V128 HydrophobicContact CG2-CG1 3.44Å; I82-V128 VanDerWaalsContact CG2-CG1 3.44Å; I82-Y160 CarbonylContact O-C 3.5Å; I82-Y160 WeakPolarHBondContact O-CA 3.16Å; I82-Y160 VanDerWaalsContact O-CB 3.32Å; I82-Y160 WeakPolarHBondContact O-CB 3.17Å; I82-L161 HydrophobicContact CB-CB 4.44Å; I82-L161 PolarHBondContact O-N 3.47Å; I82-L163 HydrophobicContact CG2-CD1 4.39Å |
| 83 | K | 97.8 | Very high | 94.4 | Very high | 74 Ų | 74 | 39.3 Ų | 39.3 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 144.3 | 175.2 | -179.7 | 179.3 | 163.2 | -154.8 | 0 | 109.3 | I81 F125 E126 A159 | I81-K83 WeakPolarHBondContact CG2-O 3.4Å; K83-F125 CarbonylContact O-C 3.24Å; K83-F125 WeakPolarHBondContact O-CA 3.14Å; K83-F125 WeakPolarHBondContact O-CB 3.22Å; K83-E126 HydrophobicContact CB-CB 3.82Å; K83-E126 HydrophobicContact CB-CG 3.92Å; K83-E126 HydrophobicContact CD-CG 3.81Å; K83-E126 HydrophobicContact CG-CG 4.35Å; K83-E126 PolarHBondContact N-O 3.36Å; K83-E126 PolarHBondContact O-N 2.86Å; K83-A159 WeakPolarHBondContact CA-O 3.18Å |
| 84 | I | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 142.7 | 170.8 | 60.2 | 177.9 | 0 | 0 | 0 | 109 | I81 L89 T90 V91 F94 L95 F125 P157 T158 A159 | I81-I84 HydrophobicContact CG2-CG2 3.64Å; I84-L89 HydrophobicContact CB-CB 4.02Å; I84-L89 HydrophobicContact CB-CD1 4.32Å; I84-L89 HydrophobicContact CG2-CB 4.1Å; I84-L89 HydrophobicContact CG2-CD1 4.25Å; I84-T90 VanDerWaalsContact CD1-C 3.5Å; I84-T90 WeakPolarHBondContact CD1-O 3.48Å; I84-V91 HydrophobicContact CD1-CG2 4.01Å; I84-F94 HydrophobicContact CG2-CB 4.19Å; I84-L95 HydrophobicContact CG2-CD1 4.42Å; I84-F125 HydrophobicContact CG2-CB 4.5Å; I84-P157 HydrophobicContact CD1-CG 4.48Å; I84-T158 WeakPolarHBondContact O-CA 3.46Å; I84-A159 HydrophobicContact CG1-CB 4.31Å; I84-A159 PolarHBondContact N-O 3.46Å; I84-A159 PolarHBondContact O-N 3.34Å |
| 85 | A | 95 | Very high | 94.5 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 33% | 0.331 | 22% | 0.219 | S | C | . | . | trans | -152.5 | 19.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E124 T158 | A85-E124 PolarHBondContact N-O 3.41Å; A85-T158 HydrophobicContact CB-CG2 4.29Å | ||
| 86 | A | 92.4 | Very high | 94.6 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -128 | 152.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L89 L116 E124 | A86-L89 HydrophobicContact CB-CD1 4.03Å; A86-L89 HydrophobicContact CB-CG 4.38Å; A86-L89 WeakPolarHBondContact O-CB 3.45Å; A86-L89 PolarHBondContact O-N 3.03Å; A86-L116 HydrophobicContact CB-CD1 3.82Å; A86-E124 HydrophobicContact CB-CB 3.62Å; A86-E124 HydrophobicContact CB-CG 3.73Å |
| 87 | F | 88.4 | Confident | 94.7 | Very high | 123 Ų | 123 | 39.5 Ų | 39.5 | 54% | 0.539 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 138.5 | 173.6 | 179.7 | -88.4 | 0 | 0 | 0 | 111.2 | L89 F155 | F87-L89 VanDerWaalsContact C-N 3.27Å; F87-L89 PolarHBondContact O-N 2.79Å; F87-F155 HydrophobicContact CD2-CB 4.02Å; F87-F155 WeakPolarHBondContact CD2-O 3.32Å; F87-F155 HydrophobicContact CE2-CB 3.93Å |
| 88 | G | 89.4 | Confident | 94.7 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 26% | 0.258 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -15.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F94 | G88-F94 WeakPolarHBondContact O-CE2 3.21Š|
| 89 | L | 93.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | -89.1 | 110.1 | 171.7 | -55 | -177.1 | 0 | 0 | 0 | 109.8 | I84 A86 F87 F94 L106 L109 L116 E124 F125 | I84-L89 HydrophobicContact CB-CB 4.02Å; I84-L89 HydrophobicContact CB-CD1 4.32Å; I84-L89 HydrophobicContact CG2-CB 4.1Å; I84-L89 HydrophobicContact CG2-CD1 4.25Å; A86-L89 HydrophobicContact CB-CD1 4.03Å; A86-L89 HydrophobicContact CB-CG 4.38Å; A86-L89 WeakPolarHBondContact O-CB 3.45Å; A86-L89 PolarHBondContact O-N 3.03Å; F87-L89 VanDerWaalsContact C-N 3.27Å; F87-L89 PolarHBondContact O-N 2.79Å; L89-F94 HydrophobicContact CB-CD2 4.32Å; L89-F94 HydrophobicContact CB-CG 4.48Å; L89-F94 HydrophobicContact CD2-CD1 3.7Å; L89-F94 HydrophobicContact CD2-CD2 4.09Å; L89-F94 HydrophobicContact CD2-CE1 3.63Å; L89-F94 HydrophobicContact CD2-CE2 4.02Å; L89-F94 HydrophobicContact CD2-CG 3.94Å; L89-F94 HydrophobicContact CD2-CZ 3.79Å; L89-L106 HydrophobicContact CD2-CD2 4.17Å; L89-L109 HydrophobicContact CD2-CD1 3.74Å; L89-L116 HydrophobicContact CD1-CD1 4.14Å; L89-L116 HydrophobicContact CD2-CD1 4.33Å; L89-L116 HydrophobicContact CD2-CD2 4.23Å; L89-L116 HydrophobicContact CG-CD1 4.16Å; L89-E124 HydrophobicContact CD1-CB 4.35Å; L89-E124 WeakPolarHBondContact CD1-O 3.28Å; L89-F125 HydrophobicContact CD1-CB 4.1Å; L89-F125 HydrophobicContact CD1-CD1 4.15Å | ||
| 90 | T | 92.5 | Very high | 94.4 | Very high | 45 Ų | 45 | 42 Ų | 42 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | trans | -96.8 | 157.2 | 176.6 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | I84 E92 D93 F94 | I84-T90 VanDerWaalsContact CD1-C 3.5Å; I84-T90 WeakPolarHBondContact CD1-O 3.48Å; T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 PolarHBondContact O-N 2.89Å; T90-D93 WeakPolarHBondContact OG1-CB 3.41Å; T90-D93 PolarHBondContact OG1-N 2.88Å; T90-D93 VanDerWaalsContact OG1-N 3.17Å; T90-D93 PolarHBondContact OG1-OD2 3.08Å; T90-F94 PolarHBondContact O-N 2.88Å | ||
| 91 | V | 92.8 | Very high | 94.2 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | I84 L95 I147 A159 | I84-V91 HydrophobicContact CD1-CG2 4.01Å; V91-L95 HydrophobicContact CG1-CB 4.38Å; V91-L95 HydrophobicContact CG1-CD2 4.08Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 PolarHBondContact O-N 3.25Å; V91-I147 HydrophobicContact CG1-CD1 4.02Å; V91-I147 HydrophobicContact CG1-CG2 4.22Å; V91-A159 HydrophobicContact CG2-CB 3.86Å |
| 92 | E | 92 | Very high | 94 | Very high | 161 Ų | 161 | 45.3 Ų | 45.3 | 75% | 0.752 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -72.2 | -35.9 | -174.2 | -62.3 | 71.8 | -158.5 | 0 | 0 | 113.1 | T90 | T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 PolarHBondContact O-N 2.89Å |
| 93 | D | 92.3 | Very high | 93.8 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -93 | -21.3 | -174.6 | -72.9 | -70.4 | 0 | 0 | 0 | 114.7 | T90 K105 | T90-D93 WeakPolarHBondContact OG1-CB 3.41Å; T90-D93 PolarHBondContact OG1-N 2.88Å; T90-D93 VanDerWaalsContact OG1-N 3.17Å; T90-D93 PolarHBondContact OG1-OD2 3.08Å; D93-K105 IonicContact OD1-NZ 3.23Å; D93-K105 PolarHBondContact OD1-NZ 3.13Å |
| 94 | F | 95.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -126.8 | -40.9 | -168.6 | -66.6 | -90.2 | 0 | 0 | 0 | 114.2 | I81 I84 G88 L89 T90 G96 V97 I102 K105 L106 L109 | I81-F94 WeakPolarHBondContact CB-O 3.15Å; I81-F94 HydrophobicContact CD1-CB 4.26Å; I81-F94 HydrophobicContact CD1-CD1 4.24Å; I84-F94 HydrophobicContact CG2-CB 4.19Å; G88-F94 WeakPolarHBondContact O-CE2 3.21Å; L89-F94 HydrophobicContact CB-CD2 4.32Å; L89-F94 HydrophobicContact CB-CG 4.48Å; L89-F94 HydrophobicContact CD2-CD1 3.7Å; L89-F94 HydrophobicContact CD2-CD2 4.09Å; L89-F94 HydrophobicContact CD2-CE1 3.63Å; L89-F94 HydrophobicContact CD2-CE2 4.02Å; L89-F94 HydrophobicContact CD2-CG 3.94Å; L89-F94 HydrophobicContact CD2-CZ 3.79Å; T90-F94 PolarHBondContact O-N 2.88Å; F94-G96 PolarHBondContact O-N 3.13Å; F94-V97 WeakPolarHBondContact O-CB 3.47Å; F94-V97 PolarHBondContact O-N 3.46Å; F94-I102 HydrophobicContact CD1-CD1 3.78Å; F94-I102 HydrophobicContact CE1-CD1 4.39Å; F94-K105 HydrophobicContact CE1-CB 3.99Å; F94-K105 HydrophobicContact CE1-CD 4.41Å; F94-K105 HydrophobicContact CZ-CB 3.99Å; F94-K105 HydrophobicContact CZ-CD 4.14Å; F94-L106 HydrophobicContact CD1-CD2 4.25Å; F94-L106 HydrophobicContact CE1-CD2 3.9Å; F94-L109 HydrophobicContact CE1-CD1 4.27Å; F94-L109 HydrophobicContact CE2-CD1 4.38Å; F94-L109 HydrophobicContact CZ-CD1 3.65Å |
| 95 | L | 95.5 | Very high | 93.3 | Very high | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 123.6 | -170.9 | -165.7 | 66.7 | 0 | 0 | 0 | 111 | I81 I84 V91 V97 I147 A159 L161 | I81-L95 HydrophobicContact CG2-CD1 4.36Å; I84-L95 HydrophobicContact CG2-CD1 4.42Å; V91-L95 HydrophobicContact CG1-CB 4.38Å; V91-L95 HydrophobicContact CG1-CD2 4.08Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 PolarHBondContact O-N 3.25Å; L95-V97 PolarHBondContact O-N 3.45Å; L95-I147 HydrophobicContact CD2-CG1 4.32Å; L95-I147 HydrophobicContact CD2-CG2 3.94Å; L95-A159 HydrophobicContact CD2-CB 4.01Å; L95-L161 HydrophobicContact CD1-CD2 4.3Å; L95-L161 HydrophobicContact CD1-CG 3.87Å; L95-L161 HydrophobicContact CD2-CD2 3.59Å; L95-L161 HydrophobicContact CD2-CG 4.11Å; L95-L161 HydrophobicContact CG-CD1 4.29Å; L95-L161 HydrophobicContact CG-CD2 3.6Å; L95-L161 HydrophobicContact CG-CG 3.67Å |
| 96 | G | 96.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 31% | 0.309 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 0.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I81 F94 L161 | I81-G96 WeakPolarHBondContact O-CA 3.23Å; I81-G96 PolarHBondContact O-N 3.36Å; F94-G96 PolarHBondContact O-N 3.13Å; G96-L161 VanDerWaalsContact CA-CD1 3.41Å |
| 97 | V | 96.3 | Very high | 93.2 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 24% | 0.242 | 26% | 0.255 | C | S | . | . | trans | -86.3 | 140.9 | 179.9 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | I80 I81 F94 L95 I102 | I80-V97 WeakPolarHBondContact CA-O 3.45Å; I81-V97 PolarHBondContact N-O 3.45Å; F94-V97 WeakPolarHBondContact O-CB 3.47Å; F94-V97 PolarHBondContact O-N 3.46Å; L95-V97 PolarHBondContact O-N 3.45Å; V97-I102 HydrophobicContact CB-CG2 4.1Å; V97-I102 HydrophobicContact CG1-CG2 3.46Å; V97-I102 VanDerWaalsContact CG1-CG2 3.46Å | ||
| 98 | H | 96.1 | Very high | 93.4 | Very high | 71 Ų | 71 | 46.4 Ų | 46.4 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -66 | 135.1 | 176.1 | -65.5 | -98.4 | 0 | 0 | 0 | 111.4 | D78 A79 I80 S100 S101 I102 | D78-H98 IonicContact OD1-CE1 2.76Å; D78-H98 PolarHBondContact OD1-CE1 3.3Å; D78-H98 VanDerWaalsContact OD1-CE1 3.27Å; D78-H98 IonicContact OD1-CG 3.2Å; D78-H98 IonicContact OD1-ND1 3.59Å; D78-H98 PolarHBondContact OD1-ND1 2.88Å; D78-H98 IonicContact OD2-CE1 3.85Å; D78-H98 IonicContact OD2-ND1 2.94Å; A79-H98 CarbonylContact O-C 3.58Å; A79-H98 WeakPolarHBondContact O-CA 3.32Å; I80-H98 HydrophobicContact CG2-CB 4.49Å; H98-S100 PolarHBondContact O-N 2.92Å; H98-S101 WeakPolarHBondContact O-CB 3.41Å; H98-S101 PolarHBondContact O-N 2.83Å; H98-I102 WeakPolarHBondContact O-CG1 3.36Å; H98-I102 PolarHBondContact O-N 2.87Å |
| 99 | L | 95 | Very high | 93.5 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.3 | -40.5 | 177.8 | -76.3 | -173.7 | 0 | 0 | 0 | 112.3 | A79 I81 S101 I102 A103 L106 F125 T127 | A79-L99 HydrophobicContact CB-CD1 3.9Å; A79-L99 HydrophobicContact CB-CG 4.25Å; A79-L99 PolarHBondContact O-N 3.27Å; I81-L99 HydrophobicContact CD1-CD2 4.4Å; I81-L99 HydrophobicContact CG1-CD2 4Å; L99-S101 PolarHBondContact O-N 2.99Å; L99-S101 VanDerWaalsContact O-N 3.13Å; L99-I102 HydrophobicContact CD2-CD1 4.27Å; L99-I102 PolarHBondContact O-N 2.92Å; L99-I102 VanDerWaalsContact O-N 3.11Å; L99-A103 WeakPolarHBondContact O-CB 3.5Å; L99-A103 PolarHBondContact O-N 3.47Å; L99-L106 HydrophobicContact CD2-CD1 4.14Å; L99-F125 HydrophobicContact CD2-CE2 4.11Å; L99-T127 HydrophobicContact CD1-CG2 4.07Å; L99-T127 HydrophobicContact CD2-CG2 4.04Å; L99-T127 HydrophobicContact CG-CG2 4.17Å |
| 100 | S | 93 | Very high | 93.5 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.9 | -29.6 | 177 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | H98 | H98-S100 PolarHBondContact O-N 2.92Å |
| 101 | S | 93.6 | Very high | 93.3 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 48% | 0.483 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -88.6 | -19.4 | -177.5 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | H98 L99 Y104 | H98-S101 WeakPolarHBondContact O-CB 3.41Å; H98-S101 PolarHBondContact O-N 2.83Å; L99-S101 PolarHBondContact O-N 2.99Å; L99-S101 VanDerWaalsContact O-N 3.13Å; S101-Y104 WeakPolarHBondContact O-CE1 3.31Å |
| 102 | I | 93.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -120 | -0.5 | -175.1 | 57 | 158.2 | 0 | 0 | 0 | 113.9 | I81 F94 V97 H98 L99 Y104 K105 L106 | I81-I102 HydrophobicContact CD1-CD1 3.18Å; I81-I102 HydrophobicContact CG1-CD1 3.86Å; F94-I102 HydrophobicContact CD1-CD1 3.78Å; F94-I102 HydrophobicContact CE1-CD1 4.39Å; V97-I102 HydrophobicContact CB-CG2 4.1Å; V97-I102 HydrophobicContact CG1-CG2 3.46Å; V97-I102 VanDerWaalsContact CG1-CG2 3.46Å; H98-I102 WeakPolarHBondContact O-CG1 3.36Å; H98-I102 PolarHBondContact O-N 2.87Å; L99-I102 HydrophobicContact CD2-CD1 4.27Å; L99-I102 PolarHBondContact O-N 2.92Å; L99-I102 VanDerWaalsContact O-N 3.11Å; I102-Y104 PolarHBondContact O-N 3.44Å; I102-K105 HydrophobicContact CG2-CD 4.35Å; I102-K105 WeakPolarHBondContact O-CA 3.27Å; I102-K105 WeakPolarHBondContact O-CB 3.48Å; I102-K105 PolarHBondContact O-N 2.99Å; I102-L106 HydrophobicContact CD1-CD1 4.11Å; I102-L106 HydrophobicContact CD1-CD2 4.49Å; I102-L106 HydrophobicContact CD1-CG 4.27Å; I102-L106 HydrophobicContact CG1-CD1 4.4Å; I102-L106 PolarHBondContact O-N 2.76Å |
| 103 | A | 92.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 7% | 0.066 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -51.9 | -34.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L69 V73 L99 R107 | L69-A103 HydrophobicContact CD1-CB 4.39Å; L69-A103 HydrophobicContact CD2-CB 3.96Å; L69-A103 HydrophobicContact CG-CB 4.12Å; V73-A103 HydrophobicContact CG2-CB 4.29Å; L99-A103 WeakPolarHBondContact O-CB 3.5Å; L99-A103 PolarHBondContact O-N 3.47Å; A103-R107 WeakPolarHBondContact O-CG 3.35Å; A103-R107 PolarHBondContact O-N 3.48Å |
| 104 | Y | 90.6 | Very high | 91.9 | Very high | 101 Ų | 101 | 52.2 Ų | 52.2 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.8 | -38.7 | 175.1 | 80.9 | -87.7 | 0 | 0 | 0 | 113.2 | S101 I102 L106 R107 Q108 V193 | S101-Y104 WeakPolarHBondContact O-CE1 3.31Å; I102-Y104 PolarHBondContact O-N 3.44Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-R107 PolarHBondContact O-N 3.11Å; Y104-Q108 WeakPolarHBondContact O-CG 3.24Å; Y104-Q108 PolarHBondContact O-N 3.38Å; Y104-V193 HydrophobicContact CG-CG2 4.39Å |
| 105 | K | 93.3 | Very high | 91.6 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 176 | -65.4 | -169.9 | -180 | -179.3 | 0 | 110.2 | D93 F94 I102 R107 Q108 L109 | D93-K105 IonicContact OD1-NZ 3.23Å; D93-K105 PolarHBondContact OD1-NZ 3.13Å; F94-K105 HydrophobicContact CE1-CB 3.99Å; F94-K105 HydrophobicContact CE1-CD 4.41Å; F94-K105 HydrophobicContact CZ-CB 3.99Å; F94-K105 HydrophobicContact CZ-CD 4.14Å; I102-K105 HydrophobicContact CG2-CD 4.35Å; I102-K105 WeakPolarHBondContact O-CA 3.27Å; I102-K105 WeakPolarHBondContact O-CB 3.48Å; I102-K105 PolarHBondContact O-N 2.99Å; K105-R107 VanDerWaalsContact C-N 3.31Å; K105-R107 PolarHBondContact O-N 2.95Å; K105-Q108 WeakPolarHBondContact O-CB 3.27Å; K105-Q108 PolarHBondContact O-N 3.41Å; K105-L109 WeakPolarHBondContact O-CG 3.31Å; K105-L109 PolarHBondContact O-N 3.02Å |
| 106 | L | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 176.5 | -65.4 | 175.5 | 0 | 0 | 0 | 111.5 | L69 L89 F94 L99 I102 Y104 L109 S110 L116 F125 | L69-L106 HydrophobicContact CD2-CB 4.47Å; L69-L106 HydrophobicContact CD2-CD1 4.32Å; L89-L106 HydrophobicContact CD2-CD2 4.17Å; F94-L106 HydrophobicContact CD1-CD2 4.25Å; F94-L106 HydrophobicContact CE1-CD2 3.9Å; L99-L106 HydrophobicContact CD2-CD1 4.14Å; I102-L106 HydrophobicContact CD1-CD1 4.11Å; I102-L106 HydrophobicContact CD1-CD2 4.49Å; I102-L106 HydrophobicContact CD1-CG 4.27Å; I102-L106 HydrophobicContact CG1-CD1 4.4Å; I102-L106 PolarHBondContact O-N 2.76Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; L106-L109 CarbonylContact O-C 3.47Å; L106-L109 PolarHBondContact O-N 2.69Å; L106-S110 PolarHBondContact O-N 3.49Å; L106-S110 VanDerWaalsContact O-N 3.1Å; L106-L116 HydrophobicContact CD2-CD2 3.72Å; L106-F125 HydrophobicContact CD1-CE1 4.23Å; L106-F125 HydrophobicContact CD1-CZ 4.03Å; L106-F125 HydrophobicContact CD2-CD1 4.36Å; L106-F125 HydrophobicContact CD2-CE1 3.92Å |
| 107 | R | 92 | Very high | 91.3 | Very high | 64 Ų | 64 | 56.9 Ų | 56.9 | 24% | 0.242 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 173.9 | -72.3 | -176.4 | -123 | -170.7 | -9.5 | 113.6 | E70 A103 Y104 K105 L109 S110 V118 | E70-R107 IonicContact OE1-CZ 3.61Å; E70-R107 IonicContact OE1-NH1 2.89Å; E70-R107 PolarHBondContact OE1-NH1 3.12Å; E70-R107 IonicContact OE1-NH2 3.49Å; E70-R107 PolarHBondContact OE1-NH2 3.35Å; A103-R107 WeakPolarHBondContact O-CG 3.35Å; A103-R107 PolarHBondContact O-N 3.48Å; Y104-R107 PolarHBondContact O-N 3.11Å; K105-R107 VanDerWaalsContact C-N 3.31Å; K105-R107 PolarHBondContact O-N 2.95Å; R107-L109 PolarHBondContact O-N 3.49Å; R107-S110 PolarHBondContact O-N 3.03Å; R107-S110 VanDerWaalsContact O-N 3.12Å; R107-S110 PolarHBondContact O-OG 2.95Å; R107-V118 HydrophobicContact CG-CG1 4.32Å |
| 108 | Q | 91.2 | Very high | 91.3 | Very high | 102 Ų | 102 | 55.2 Ų | 55.2 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -32.9 | 173.9 | -72.8 | 177 | -24.2 | 0 | 0 | 111.4 | Y104 K105 V111 W114 | Y104-Q108 WeakPolarHBondContact O-CG 3.24Å; Y104-Q108 PolarHBondContact O-N 3.38Å; K105-Q108 WeakPolarHBondContact O-CB 3.27Å; K105-Q108 PolarHBondContact O-N 3.41Å; Q108-V111 VanDerWaalsContact O-CG2 3.27Å; Q108-V111 WeakPolarHBondContact O-CG2 3.45Å; Q108-W114 WeakPolarHBondContact O-CZ3 3.33Å |
| 109 | L | 92.6 | Very high | 91.2 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -8.3 | 176.2 | -66 | 174.8 | 0 | 0 | 0 | 114.2 | L89 F94 K105 L106 R107 W114 S115 L116 | L89-L109 HydrophobicContact CD2-CD1 3.74Å; F94-L109 HydrophobicContact CE1-CD1 4.27Å; F94-L109 HydrophobicContact CE2-CD1 4.38Å; F94-L109 HydrophobicContact CZ-CD1 3.65Å; K105-L109 WeakPolarHBondContact O-CG 3.31Å; K105-L109 PolarHBondContact O-N 3.02Å; L106-L109 CarbonylContact O-C 3.47Å; L106-L109 PolarHBondContact O-N 2.69Å; R107-L109 PolarHBondContact O-N 3.49Å; L109-W114 HydrophobicContact CD2-CD2 4.36Å; L109-W114 HydrophobicContact CD2-CG 4.41Å; L109-W114 WeakPolarHBondContact O-CB 3.33Å; L109-S115 PolarHBondContact O-N 3.47Å; L109-L116 HydrophobicContact CB-CB 3.9Å; L109-L116 HydrophobicContact CB-CD2 3.85Å; L109-L116 HydrophobicContact CB-CG 4.43Å; L109-L116 HydrophobicContact CD1-CD2 4.27Å; L109-L116 WeakPolarHBondContact O-CB 3.46Å; L109-L116 PolarHBondContact O-N 2.89Å |
| 110 | S | 92 | Very high | 91.2 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -14.9 | 177 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | L106 R107 L116 V118 | L106-S110 PolarHBondContact O-N 3.49Å; L106-S110 VanDerWaalsContact O-N 3.1Å; R107-S110 PolarHBondContact O-N 3.03Å; R107-S110 VanDerWaalsContact O-N 3.12Å; R107-S110 PolarHBondContact O-OG 2.95Å; S110-L116 WeakPolarHBondContact CA-O 3.35Å; S110-L116 WeakPolarHBondContact CB-O 3.48Å; S110-V118 VanDerWaalsContact CB-CG1 3.47Å |
| 111 | V | 88 | Confident | 91.1 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -95.4 | 153.6 | -179.7 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | Q108 W114 | Q108-V111 VanDerWaalsContact O-CG2 3.27Å; Q108-V111 WeakPolarHBondContact O-CG2 3.45Å; V111-W114 CarbonylContact C-O 3.5Å; V111-W114 VanDerWaalsContact C-O 3.24Å; V111-W114 CarbonylContact O-C 3.4Å; V111-W114 WeakPolarHBondContact O-CA 3.36Å; V111-W114 WeakPolarHBondContact O-CB 3.16Å; V111-W114 PolarHBondContact O-N 2.87Å; V111-W114 VanDerWaalsContact O-O 3.1Å |
| 112 | P | 83.6 | Confident | 90.9 | Very high | 115 Ų | 115 | 52.5 Ų | 52.5 | 75% | 0.747 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 142.1 | 176.5 | -29.1 | 36.2 | 0 | 0 | 0 | 113.3 | W114 | P112-W114 VanDerWaalsContact C-N 3.26Å; P112-W114 VanDerWaalsContact CA-N 3.33Å |
| 113 | P | 81.9 | Confident | 90.8 | Very high | 115 Ų | 115 | 53.9 Ų | 53.9 | 75% | 0.747 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -79.2 | 2 | 8.5 | 34.4 | -37.5 | 0 | 0 | 0 | 114.5 | ||
| 114 | W | 84 | Confident | 90.9 | Very high | 110 Ų | 110 | 55 Ų | 55 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | trans | -93 | 171.5 | 179.6 | -46.2 | -73.7 | 0 | 0 | 0 | 111.8 | Q108 L109 V111 P112 | Q108-W114 WeakPolarHBondContact O-CZ3 3.33Å; L109-W114 HydrophobicContact CD2-CD2 4.36Å; L109-W114 HydrophobicContact CD2-CG 4.41Å; L109-W114 WeakPolarHBondContact O-CB 3.33Å; V111-W114 CarbonylContact C-O 3.5Å; V111-W114 VanDerWaalsContact C-O 3.24Å; V111-W114 CarbonylContact O-C 3.4Å; V111-W114 WeakPolarHBondContact O-CA 3.36Å; V111-W114 WeakPolarHBondContact O-CB 3.16Å; V111-W114 PolarHBondContact O-N 2.87Å; V111-W114 VanDerWaalsContact O-O 3.1Å; P112-W114 VanDerWaalsContact C-N 3.26Å; P112-W114 VanDerWaalsContact CA-N 3.33Å | ||
| 115 | S | 87.4 | Confident | 91.2 | Very high | 110 Ų | 110 | 50.6 Ų | 50.6 | 77% | 0.769 | 30% | 0.302 | S | S | * | . | trans | -154.3 | 36.8 | -179.5 | 50.5 | 0 | 0 | 0 | 0 | 112 | L109 | L109-S115 PolarHBondContact O-N 3.47Š| ||
| 116 | L | 93.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | trans | -62.7 | 135.5 | 176.9 | -169.8 | 92.7 | 0 | 0 | 0 | 110.6 | A86 L89 L106 L109 S110 V118 E124 | A86-L116 HydrophobicContact CB-CD1 3.82Å; L89-L116 HydrophobicContact CD1-CD1 4.14Å; L89-L116 HydrophobicContact CD2-CD1 4.33Å; L89-L116 HydrophobicContact CD2-CD2 4.23Å; L89-L116 HydrophobicContact CG-CD1 4.16Å; L106-L116 HydrophobicContact CD2-CD2 3.72Å; L109-L116 HydrophobicContact CB-CB 3.9Å; L109-L116 HydrophobicContact CB-CD2 3.85Å; L109-L116 HydrophobicContact CB-CG 4.43Å; L109-L116 HydrophobicContact CD1-CD2 4.27Å; L109-L116 WeakPolarHBondContact O-CB 3.46Å; L109-L116 PolarHBondContact O-N 2.89Å; S110-L116 WeakPolarHBondContact CA-O 3.35Å; S110-L116 WeakPolarHBondContact CB-O 3.48Å; L116-V118 PolarHBondContact O-N 3.41Å; L116-E124 HydrophobicContact CD1-CB 3.81Å; L116-E124 HydrophobicContact CD1-CG 3.76Å; L116-E124 HydrophobicContact CG-CB 4.47Å; L116-E124 HydrophobicContact CG-CG 4.3Å | ||
| 117 | N | 93.9 | Very high | 91.5 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | trans | -73.4 | 118.3 | 165.2 | -166.1 | -66 | 0 | 0 | 0 | 110.4 | C119 G120 E121 E124 | N117-C119 PolarHBondContact O-N 3.19Å; N117-C119 VanDerWaalsContact O-N 3.13Å; N117-C119 WeakPolarHBondContact OD1-CA 3.48Å; N117-C119 PolarHBondContact OD1-N 2.96Å; N117-G120 PolarHBondContact O-N 3.11Å; N117-G120 PolarHBondContact OD1-N 3.15Å; N117-E121 PolarHBondContact OD1-N 2.96Å; N117-E124 WeakPolarHBondContact CB-OE1 3.47Å; N117-E124 PolarHBondContact N-OE1 2.83Å | ||
| 118 | V | 94.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17 | -177.7 | -60.2 | 0 | 0 | 0 | 0 | 114.4 | Q65 E66 L69 R107 S110 L116 F125 | Q65-V118 HydrophobicContact CB-CG2 3.59Å; E66-V118 HydrophobicContact CG-CG2 4.16Å; L69-V118 HydrophobicContact CD2-CB 4.03Å; L69-V118 HydrophobicContact CD2-CG2 4.47Å; R107-V118 HydrophobicContact CG-CG1 4.32Å; S110-V118 VanDerWaalsContact CB-CG1 3.47Å; L116-V118 PolarHBondContact O-N 3.41Å; V118-F125 WeakPolarHBondContact O-CZ 3.43Å |
| 119 | C | 95.2 | Very high | 92.1 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 19% | 0.189 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -0.6 | 175.7 | -72.2 | 0 | 0 | 0 | 0 | 113.3 | I36 Q65 N117 E121 | I36-C119 HydrophobicContact CD1-CB 3.87Å; Q65-C119 HydrophobicContact CB-CB 4.29Å; Q65-C119 HydrophobicContact CG-CB 4.36Å; Q65-C119 PolarHBondContact O-SG 2.84Å; Q65-C119 VanDerWaalsContact O-SG 3.33Å; N117-C119 PolarHBondContact O-N 3.19Å; N117-C119 VanDerWaalsContact O-N 3.13Å; N117-C119 WeakPolarHBondContact OD1-CA 3.48Å; N117-C119 PolarHBondContact OD1-N 2.96Å; C119-E121 VanDerWaalsContact C-N 3.32Å; C119-E121 PolarHBondContact O-N 2.83Å |
| 120 | G | 94.2 | Very high | 92.3 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | trans | 74.4 | 15.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | N117 G122 G123 E124 | N117-G120 PolarHBondContact O-N 3.11Å; N117-G120 PolarHBondContact OD1-N 3.15Å; G120-G122 PolarHBondContact O-N 2.81Å; G120-G122 VanDerWaalsContact O-N 3.16Å; G120-G123 PolarHBondContact O-N 3.1Å; G120-E124 WeakPolarHBondContact CA-OE2 3.32Å | ||
| 121 | E | 91 | Very high | 92.6 | Very high | 59 Ų | 59 | 51.1 Ų | 51.1 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.2 | -177.5 | -174.2 | 76.4 | 170.2 | 0 | 0 | 113.1 | I36 L37 S38 N117 C119 G123 | I36-E121 PolarHBondContact N-OE1 2.99Å; L37-E121 HydrophobicContact CB-CG 4.01Å; L37-E121 PolarHBondContact N-OE1 3.01Å; S38-E121 PolarHBondContact N-OE1 2.77Å; N117-E121 PolarHBondContact OD1-N 2.96Å; C119-E121 VanDerWaalsContact C-N 3.32Å; C119-E121 PolarHBondContact O-N 2.83Å; E121-G123 VanDerWaalsContact C-N 3.25Å; E121-G123 PolarHBondContact O-N 2.62Å |
| 122 | G | 89.5 | Confident | 93 | Very high | 65 Ų | 65 | 48.6 Ų | 48.6 | 67% | 0.67 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G120 E124 | G120-G122 PolarHBondContact O-N 2.81Å; G120-G122 VanDerWaalsContact O-N 3.16Å; G122-E124 VanDerWaalsContact C-OE2 3.28Å; G122-E124 WeakPolarHBondContact CA-OE2 3.32Å; G122-E124 PolarHBondContact N-OE2 3.41Å |
| 123 | G | 92.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 80.8 | 18.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G120 E121 F125 | G120-G123 PolarHBondContact O-N 3.1Å; E121-G123 VanDerWaalsContact C-N 3.25Å; E121-G123 PolarHBondContact O-N 2.62Å; G123-F125 VanDerWaalsContact C-N 3.33Å; G123-F125 PolarHBondContact O-N 3.4Å |
| 124 | E | 94.4 | Very high | 94.2 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -64.5 | -38.1 | -177.8 | -63.3 | 94.4 | 152.9 | 0 | 0 | 112.7 | A85 A86 L89 L116 N117 G120 G122 | A85-E124 PolarHBondContact N-O 3.41Å; A86-E124 HydrophobicContact CB-CB 3.62Å; A86-E124 HydrophobicContact CB-CG 3.73Å; L89-E124 HydrophobicContact CD1-CB 4.35Å; L89-E124 WeakPolarHBondContact CD1-O 3.28Å; L116-E124 HydrophobicContact CD1-CB 3.81Å; L116-E124 HydrophobicContact CD1-CG 3.76Å; L116-E124 HydrophobicContact CG-CB 4.47Å; L116-E124 HydrophobicContact CG-CG 4.3Å; N117-E124 WeakPolarHBondContact CB-OE1 3.47Å; N117-E124 PolarHBondContact N-OE1 2.83Å; G120-E124 WeakPolarHBondContact CA-OE2 3.32Å; G122-E124 VanDerWaalsContact C-OE2 3.28Å; G122-E124 WeakPolarHBondContact CA-OE2 3.32Å; G122-E124 PolarHBondContact N-OE2 3.41Å |
| 125 | F | 96.7 | Very high | 94.8 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 156.9 | 173.8 | 62.1 | -93.2 | 0 | 0 | 0 | 110.4 | I81 K83 I84 L89 L99 L106 V118 G123 T127 | I81-F125 HydrophobicContact CD1-CB 4.3Å; I81-F125 HydrophobicContact CD1-CD2 4.04Å; I81-F125 HydrophobicContact CD1-CG 4.07Å; I81-F125 HydrophobicContact CG1-CD2 4.08Å; I81-F125 HydrophobicContact CG2-CB 4.19Å; K83-F125 CarbonylContact O-C 3.24Å; K83-F125 WeakPolarHBondContact O-CA 3.14Å; K83-F125 WeakPolarHBondContact O-CB 3.22Å; I84-F125 HydrophobicContact CG2-CB 4.5Å; L89-F125 HydrophobicContact CD1-CB 4.1Å; L89-F125 HydrophobicContact CD1-CD1 4.15Å; L99-F125 HydrophobicContact CD2-CE2 4.11Å; L106-F125 HydrophobicContact CD1-CE1 4.23Å; L106-F125 HydrophobicContact CD1-CZ 4.03Å; L106-F125 HydrophobicContact CD2-CD1 4.36Å; L106-F125 HydrophobicContact CD2-CE1 3.92Å; V118-F125 WeakPolarHBondContact O-CZ 3.43Å; G123-F125 VanDerWaalsContact C-N 3.33Å; G123-F125 PolarHBondContact O-N 3.4Å; F125-T127 HydrophobicContact CD2-CG2 3.74Å; F125-T127 HydrophobicContact CE2-CG2 3.76Å |
| 126 | E | 97.1 | Very high | 95.3 | Very high | 89 Ų | 89 | 40.2 Ų | 40.2 | 42% | 0.416 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 150.7 | 171.3 | -56.2 | -70.9 | 175 | 0 | 0 | 109 | I82 K83 | I82-E126 HydrophobicContact CD1-CB 4.41Å; I82-E126 HydrophobicContact CG1-CB 4Å; I82-E126 WeakPolarHBondContact CG1-O 3.41Å; I82-E126 PolarHBondContact N-O 3.23Å; K83-E126 HydrophobicContact CB-CB 3.82Å; K83-E126 HydrophobicContact CB-CG 3.92Å; K83-E126 HydrophobicContact CD-CG 3.81Å; K83-E126 HydrophobicContact CG-CG 4.35Å; K83-E126 PolarHBondContact N-O 3.36Å; K83-E126 PolarHBondContact O-N 2.86Å |
| 127 | T | 97.1 | Very high | 95.5 | Very high | 55 Ų | 55 | 41 Ų | 41 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 158.4 | 177.3 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | I80 I81 L99 F125 | I80-T127 WeakPolarHBondContact O-CA 3.32Å; I80-T127 WeakPolarHBondContact O-CB 3.4Å; I81-T127 HydrophobicContact CG1-CG2 4.24Å; L99-T127 HydrophobicContact CD1-CG2 4.07Å; L99-T127 HydrophobicContact CD2-CG2 4.04Å; L99-T127 HydrophobicContact CG-CG2 4.17Å; F125-T127 HydrophobicContact CD2-CG2 3.74Å; F125-T127 HydrophobicContact CE2-CG2 3.76Å |
| 128 | V | 97.2 | Very high | 95.7 | Very high | 40 Ų | 40 | 43 Ų | 43 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137.1 | 162.5 | 72.5 | 0 | 0 | 0 | 0 | 108.1 | A79 I80 I82 L130 L163 | A79-V128 VanDerWaalsContact CA-O 3.22Å; A79-V128 WeakPolarHBondContact CA-O 3.45Å; I80-V128 HydrophobicContact CD1-CG1 4.04Å; I80-V128 HydrophobicContact CG1-CG1 3.55Å; I80-V128 PolarHBondContact N-O 2.89Å; I80-V128 PolarHBondContact O-N 2.95Å; I82-V128 HydrophobicContact CD1-CB 4.38Å; I82-V128 HydrophobicContact CG2-CB 3.87Å; I82-V128 HydrophobicContact CG2-CG1 3.44Å; I82-V128 VanDerWaalsContact CG2-CG1 3.44Å; V128-L130 HydrophobicContact CG1-CD2 3.97Å; V128-L163 HydrophobicContact CG1-CD1 3.96Å |
| 129 | T | 97.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 45.4 Ų | 45.4 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.1 | 173.1 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | I77 D78 D131 C132 F135 | I77-T129 HydrophobicContact CG2-CG2 3.84Å; D78-T129 CarbonylContact O-C 3.43Å; D78-T129 WeakPolarHBondContact O-CA 3.31Å; T129-D131 VanDerWaalsContact CG2-O 3.24Å; T129-D131 WeakPolarHBondContact CG2-O 3.47Å; T129-C132 HydrophobicContact CG2-CB 4.16Å; T129-F135 HydrophobicContact CG2-CE2 3.8Å; T129-F135 HydrophobicContact CG2-CZ 4.11Å |
| 130 | L | 97.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -38.4 | 177.5 | -59.7 | -177.9 | 0 | 0 | 0 | 111.7 | D78 I80 V128 I139 L141 | D78-L130 PolarHBondContact O-N 2.8Å; I80-L130 HydrophobicContact CD1-CD1 4.14Å; I80-L130 HydrophobicContact CD1-CD2 4.42Å; I80-L130 HydrophobicContact CG1-CD1 4.25Å; I80-L130 HydrophobicContact CG1-CG 4.35Å; I80-L130 HydrophobicContact CG2-CD1 3.82Å; V128-L130 HydrophobicContact CG1-CD2 3.97Å; L130-I139 HydrophobicContact CD2-CB 4.32Å; L130-I139 HydrophobicContact CD2-CG2 4.24Å; L130-I139 PolarHBondContact O-N 3.49Å; L130-L141 HydrophobicContact CD2-CD2 4.24Å |
| 131 | D | 97.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 153.5 | 175.4 | -164.4 | 9.4 | 0 | 0 | 0 | 111 | D78 T129 R138 K171 | D78-D131 HydrophobicContact CB-CB 3.99Å; D78-D131 PolarHBondContact N-O 3.26Å; D78-D131 PolarHBondContact O-N 2.8Å; T129-D131 VanDerWaalsContact CG2-O 3.24Å; T129-D131 WeakPolarHBondContact CG2-O 3.47Å; D131-R138 HydrophobicContact CB-CB 3.77Å; D131-K171 WeakPolarHBondContact OD1-CD 3.39Å; D131-K171 IonicContact OD1-NZ 2.83Å; D131-K171 PolarHBondContact OD1-NZ 2.78Å; D131-K171 IonicContact OD2-NZ 2.72Å; D131-K171 PolarHBondContact OD2-NZ 3.34Å |
| 132 | C | 96.1 | Very high | 95.9 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | trans | -151.9 | 148.5 | 175.2 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | T129 I134 F135 K171 | T129-C132 HydrophobicContact CG2-CB 4.16Å; C132-I134 PolarHBondContact O-N 2.89Å; C132-F135 HydrophobicContact CB-CD1 4Å; C132-F135 HydrophobicContact CB-CD2 3.86Å; C132-F135 HydrophobicContact CB-CE1 3.97Å; C132-F135 HydrophobicContact CB-CE2 3.84Å; C132-F135 HydrophobicContact CB-CG 3.93Å; C132-F135 HydrophobicContact CB-CZ 3.89Å; C132-F135 PolarHBondContact O-N 3.46Å; C132-K171 PolarHBondContact O-NZ 3.21Å | ||
| 133 | P | 95.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.104 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -23.9 | 179.4 | -28.4 | 32.7 | 0 | 0 | 0 | 115.3 | A75 V176 C177 L186 | A75-P133 WeakPolarHBondContact O-CG 3.24Å; P133-V176 CarbonylContact O-C 3.56Å; P133-V176 WeakPolarHBondContact O-CA 3.28Å; P133-C177 HydrophobicContact CB-CB 4.08Å; P133-C177 PolarHBondContact O-N 2.83Å; P133-L186 HydrophobicContact CB-CD1 4.28Å; P133-L186 HydrophobicContact CG-CD1 4.17Å |
| 134 | I | 95.6 | Very high | 96 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 46% | 0.456 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -12.9 | -179.4 | 74.5 | -175.2 | 0 | 0 | 0 | 113.6 | C132 F183 | C132-I134 PolarHBondContact O-N 2.89Å; I134-F183 HydrophobicContact CG2-CE1 3.34Å; I134-F183 HydrophobicContact CG2-CZ 3.32Å |
| 135 | F | 97.4 | Very high | 96 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | trans | -76.9 | 136.5 | -177.1 | -66.1 | -7 | 0 | 0 | 0 | 110.7 | T129 C132 S137 K171 V176 | T129-F135 HydrophobicContact CG2-CE2 3.8Å; T129-F135 HydrophobicContact CG2-CZ 4.11Å; C132-F135 HydrophobicContact CB-CD1 4Å; C132-F135 HydrophobicContact CB-CD2 3.86Å; C132-F135 HydrophobicContact CB-CE1 3.97Å; C132-F135 HydrophobicContact CB-CE2 3.84Å; C132-F135 HydrophobicContact CB-CG 3.93Å; C132-F135 HydrophobicContact CB-CZ 3.89Å; C132-F135 PolarHBondContact O-N 3.46Å; F135-S137 VanDerWaalsContact C-N 3.26Å; F135-S137 WeakPolarHBondContact CB-O 3.39Å; F135-K171 WeakPolarHBondContact O-CD 3.36Å; F135-V176 WeakPolarHBondContact O-CG2 3.21Å | ||
| 136 | N | 97.3 | Very high | 95.9 | Very high | 96 Ų | 96 | 65.5 Ų | 65.5 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -75.1 | -18.1 | 172.4 | -66.4 | -53.6 | 0 | 0 | 0 | 112.7 | K171 R178 | N136-K171 PolarHBondContact O-N 2.85Å; N136-R178 PolarHBondContact OD1-NH2 2.85Å; N136-R178 VanDerWaalsContact OD1-NH2 3.1Å |
| 137 | S | 98 | Very high | 95.8 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 147.6 | -178.9 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | F135 E169 | F135-S137 VanDerWaalsContact C-N 3.26Å; F135-S137 WeakPolarHBondContact CB-O 3.39Å; S137-E169 CarbonylContact C-O 3.55Å; S137-E169 WeakPolarHBondContact CA-O 3.32Å; S137-E169 VanDerWaalsContact CB-O 3.27Å; S137-E169 WeakPolarHBondContact CB-O 3.43Å |
| 138 | R | 97.5 | Very high | 95.7 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 154.5 | 173.1 | 62.1 | -178.5 | 167.4 | -113.1 | -0.6 | 111.6 | D131 E169 K171 E175 | D131-R138 HydrophobicContact CB-CB 3.77Å; R138-E169 HydrophobicContact CG-CB 3.96Å; R138-E169 HydrophobicContact CG-CG 4.45Å; R138-E169 IonicContact CZ-OE1 3.92Å; R138-E169 IonicContact CZ-OE2 2.71Å; R138-E169 PolarHBondContact N-O 2.99Å; R138-E169 VanDerWaalsContact NE-CD 3.26Å; R138-E169 IonicContact NE-OE1 2.65Å; R138-E169 IonicContact NE-OE2 3.76Å; R138-E169 PolarHBondContact NE-OE2 3.12Å; R138-E169 IonicContact NH2-OE1 3.27Å; R138-E169 PolarHBondContact NH2-OE1 3.31Å; R138-E169 IonicContact NH2-OE2 3.64Å; R138-E169 PolarHBondContact NH2-OE2 2.73Å; R138-E169 PolarHBondContact O-N 3.14Å; R138-K171 HydrophobicContact CB-CD 4.36Å; R138-K171 HydrophobicContact CG-CG 4.45Å; R138-E175 IonicContact NH1-OE2 3.55Å; R138-E175 PolarHBondContact NH1-OE2 2.85Å |
| 139 | I | 97.7 | Very high | 95.5 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 28% | 0.282 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.4 | 176.6 | -60 | 170.6 | 0 | 0 | 0 | 108.5 | L130 L166 L168 | L130-I139 HydrophobicContact CD2-CB 4.32Å; L130-I139 HydrophobicContact CD2-CG2 4.24Å; L130-I139 PolarHBondContact O-N 3.49Å; I139-L166 HydrophobicContact CG2-CB 4.21Å; I139-L166 HydrophobicContact CG2-CD1 4.35Å; I139-L166 HydrophobicContact CG2-CD2 4.03Å; I139-L166 HydrophobicContact CG2-CG 4.44Å; I139-L168 HydrophobicContact CG1-CD1 4.3Å |
| 140 | R | 96.2 | Very high | 95.2 | Very high | 147 Ų | 147 | 70.8 Ų | 70.8 | 56% | 0.555 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.4 | 175.7 | -174.5 | 175.4 | 178.2 | 160.5 | 0.7 | 110.8 | Q142 L167 | R140-Q142 PolarHBondContact O-N 3.5Å; R140-L167 HydrophobicContact CB-CB 4.45Å; R140-L167 PolarHBondContact N-O 3.09Å; R140-L167 PolarHBondContact O-N 3.4Å |
| 141 | L | 94 | Very high | 94.7 | Very high | 55 Ų | 55 | 72.6 Ų | 72.6 | 29% | 0.288 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 118 | 171.3 | -50.1 | -177.1 | 0 | 0 | 0 | 109 | I80 L130 P145 L163 L166 | I80-L141 HydrophobicContact CD1-CD1 4.09Å; L130-L141 HydrophobicContact CD2-CD2 4.24Å; L141-P145 HydrophobicContact CD1-CG 4.15Å; L141-L163 HydrophobicContact CD2-CD2 4.32Å; L141-L166 HydrophobicContact CD2-CD2 3.28Å |
| 142 | Q | 92.7 | Very high | 94 | Very high | 125 Ų | 125 | 79.9 Ų | 79.9 | 58% | 0.584 | 40% | 0.396 | S | S | * | . | trans | -88.9 | -18.1 | 176.7 | -62.9 | -168.2 | -42.3 | 0 | 0 | 113.6 | R140 N165 L167 | R140-Q142 PolarHBondContact O-N 3.5Å; Q142-N165 HydrophobicContact CB-CB 4.08Å; Q142-N165 WeakPolarHBondContact CB-O 3.47Å; Q142-N165 WeakPolarHBondContact CG-O 3.34Å; Q142-N165 PolarHBondContact N-O 2.94Å; Q142-L167 HydrophobicContact CG-CB 3.81Å | ||
| 143 | S | 92.5 | Very high | 93.4 | Very high | 38 Ų | 38 | 81.9 Ų | 81.9 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -135.8 | 156.3 | 177.2 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | R164 N165 | S143-R164 PolarHBondContact OG-O 3.39Å; S143-N165 PolarHBondContact OG-ND2 2.83Å |
| 144 | E | 91.4 | Very high | 92.6 | Very high | 183 Ų | 183 | 86.2 Ų | 86.2 | 86% | 0.855 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 131.8 | 171.4 | -68.8 | -175.9 | 173.9 | 0 | 0 | 110.3 | ||
| 145 | P | 92.7 | Very high | 91.8 | Very high | 40 Ų | 40 | 88.8 Ų | 88.8 | 26% | 0.26 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 145.1 | 173.5 | -28.9 | 38.3 | 0 | 0 | 0 | 113.1 | L141 L161 L163 | L141-P145 HydrophobicContact CD1-CG 4.15Å; P145-L161 HydrophobicContact CB-CB 4.1Å; P145-L161 HydrophobicContact CB-CD1 3.99Å; P145-L161 HydrophobicContact CB-CD2 3.92Å; P145-L161 HydrophobicContact CB-CG 4.22Å; P145-L161 HydrophobicContact CG-CD1 4.15Å; P145-L163 HydrophobicContact CB-CD2 3.91Å; P145-L163 HydrophobicContact CG-CD2 3.71Å |
| 146 | E | 94.5 | Very high | 91.2 | Very high | 69 Ų | 69 | 87.3 Ų | 87.3 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.5 | 169.2 | 175.6 | -166.8 | 178.4 | 0 | 0 | 109.4 | V148 R162 R164 | E146-V148 HydrophobicContact CG-CG2 4.24Å; E146-R162 HydrophobicContact CB-CB 4.25Å; E146-R162 PolarHBondContact N-O 3.02Å; E146-R162 VanDerWaalsContact N-O 3.1Å; E146-R162 PolarHBondContact O-N 2.93Å; E146-R162 IonicContact OE1-NH1 3.67Å; E146-R162 PolarHBondContact OE1-NH1 2.99Å; E146-R162 WeakPolarHBondContact OE2-CD 3.44Å; E146-R162 IonicContact OE2-CZ 3.18Å; E146-R162 IonicContact OE2-NE 3.96Å; E146-R162 IonicContact OE2-NH1 3.87Å; E146-R162 PolarHBondContact OE2-NH1 2.85Å; E146-R164 IonicContact OE2-CZ 3.41Å; E146-R164 IonicContact OE2-NE 3.99Å; E146-R164 PolarHBondContact OE2-NE 2.85Å; E146-R164 IonicContact OE2-NH1 3.01Å; E146-R164 IonicContact OE2-NH2 2.82Å; E146-R164 PolarHBondContact OE2-NH2 3.01Å |
| 147 | I | 95.6 | Very high | 90.8 | Very high | 91 Ų | 91 | 83.8 Ų | 83.8 | 47% | 0.467 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 121 | 173.4 | -59.7 | 171.8 | 0 | 0 | 0 | 109.1 | V91 L95 L161 | V91-I147 HydrophobicContact CG1-CD1 4.02Å; V91-I147 HydrophobicContact CG1-CG2 4.22Å; L95-I147 HydrophobicContact CD2-CG1 4.32Å; L95-I147 HydrophobicContact CD2-CG2 3.94Å; I147-L161 HydrophobicContact CG1-CD2 3.79Å |
| 148 | V | 95.8 | Very high | 90.7 | Very high | 30 Ų | 30 | 83.8 Ų | 83.8 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 111.4 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | E146 A159 Y160 R162 | E146-V148 HydrophobicContact CG-CG2 4.24Å; V148-A159 WeakPolarHBondContact O-CA 3.41Å; V148-Y160 HydrophobicContact CB-CD1 4.14Å; V148-Y160 HydrophobicContact CB-CD2 4.35Å; V148-Y160 HydrophobicContact CB-CE1 3.67Å; V148-Y160 HydrophobicContact CB-CE2 3.89Å; V148-Y160 HydrophobicContact CB-CG 4.46Å; V148-Y160 HydrophobicContact CG1-CD1 4.41Å; V148-Y160 HydrophobicContact CG1-CE1 3.58Å; V148-Y160 HydrophobicContact CG1-CE2 4.42Å; V148-Y160 WeakPolarHBondContact CG1-OH 3.33Å; V148-Y160 HydrophobicContact CG2-CE2 3.98Å; V148-Y160 PolarHBondContact N-O 2.93Å; V148-Y160 PolarHBondContact O-N 3.19Å; V148-R162 HydrophobicContact CG2-CB 4.28Å |
| 149 | T | 93.1 | Very high | 90.7 | Very high | 62 Ų | 62 | 80.6 Ų | 80.6 | 38% | 0.38 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 115.6 | 177 | -46.2 | 0 | 0 | 0 | 0 | 110.4 | S151 K152 | T149-S151 WeakPolarHBondContact CG2-O 3.13Å; T149-K152 HydrophobicContact CG2-CG 3.68Å |
| 150 | H | 90 | Very high | 90.7 | Very high | 161 Ų | 161 | 82 Ų | 82 | 75% | 0.745 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -40.3 | 177.9 | -172.5 | -137.8 | 0 | 0 | 0 | 111.9 | T158 | H150-T158 HydrophobicContact CB-CG2 4.23Å; H150-T158 PolarHBondContact N-O 2.74Å |
| 151 | S | 88.7 | Confident | 90.7 | Very high | 49 Ų | 49 | 75.8 Ų | 75.8 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.6 | 172.8 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | T149 D153 T158 | T149-S151 WeakPolarHBondContact CG2-O 3.13Å; S151-D153 VanDerWaalsContact C-N 3.29Å; S151-D153 PolarHBondContact OG-N 3.22Å; S151-T158 PolarHBondContact N-O 2.94Å; S151-T158 VanDerWaalsContact N-O 3.12Å; S151-T158 PolarHBondContact O-N 2.94Å |
| 152 | K | 81.6 | Confident | 90.8 | Very high | 180 Ų | 180 | 77.8 Ų | 77.8 | 78% | 0.783 | 39% | 0.393 | S | S | * | . | trans | -94.7 | 27.7 | 178.8 | -65 | -175.1 | 178.1 | -175.4 | 0 | 112.4 | T149 | T149-K152 HydrophobicContact CG2-CG 3.68Š| ||
| 153 | D | 84.4 | Confident | 90.9 | Very high | 59 Ų | 59 | 74 Ų | 74 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | trans | -56.4 | 127.6 | 175.8 | -175.1 | -87.6 | 0 | 0 | 0 | 109.7 | S151 F155 S156 P157 | S151-D153 VanDerWaalsContact C-N 3.29Å; S151-D153 PolarHBondContact OG-N 3.22Å; D153-F155 PolarHBondContact O-N 2.91Å; D153-F155 WeakPolarHBondContact OD1-CA 3.35Å; D153-F155 WeakPolarHBondContact OD1-CB 3.4Å; D153-F155 PolarHBondContact OD1-N 3.31Å; D153-S156 PolarHBondContact OD1-N 2.95Å; D153-S156 PolarHBondContact OD1-OG 3.02Å; D153-P157 WeakPolarHBondContact O-CA 3.36Å; D153-P157 WeakPolarHBondContact O-CD 3.44Å | ||
| 154 | P | 78.2 | Confident | 90.8 | Very high | 106 Ų | 106 | 78.3 Ų | 78.3 | 69% | 0.688 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -70.2 | -14.2 | -173.8 | 25.7 | -32.5 | 0 | 0 | 0 | 113.7 | ||
| 155 | F | 78.7 | Confident | 90.9 | Very high | 144 Ų | 144 | 74.5 Ų | 74.5 | 63% | 0.632 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -110.8 | -26.2 | -176.7 | -57.4 | -71.2 | 0 | 0 | 0 | 113 | F87 D153 | F87-F155 HydrophobicContact CD2-CB 4.02Å; F87-F155 WeakPolarHBondContact CD2-O 3.32Å; F87-F155 HydrophobicContact CE2-CB 3.93Å; D153-F155 PolarHBondContact O-N 2.91Å; D153-F155 WeakPolarHBondContact OD1-CA 3.35Å; D153-F155 WeakPolarHBondContact OD1-CB 3.4Å; D153-F155 PolarHBondContact OD1-N 3.31Å |
| 156 | S | 84.8 | Confident | 91 | Very high | 43 Ų | 43 | 76.8 Ų | 76.8 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -143.8 | 60.5 | -175.2 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | D153 T158 | D153-S156 PolarHBondContact OD1-N 2.95Å; D153-S156 PolarHBondContact OD1-OG 3.02Å; S156-T158 PolarHBondContact O-N 2.86Å |
| 157 | P | 89.6 | Confident | 91.1 | Very high | 21 Ų | 21 | 77.1 Ų | 77.1 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | trans | -60.6 | 139.4 | -179.2 | 27.5 | -34.8 | 0 | 0 | 0 | 110.2 | I84 D153 | I84-P157 HydrophobicContact CD1-CG 4.48Å; D153-P157 WeakPolarHBondContact O-CA 3.36Å; D153-P157 WeakPolarHBondContact O-CD 3.44Å | ||
| 158 | T | 95.5 | Very high | 91.2 | Very high | 34 Ų | 34 | 78.6 Ų | 78.6 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 111.6 | 169 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | I84 A85 H150 S151 S156 | I84-T158 WeakPolarHBondContact O-CA 3.46Å; A85-T158 HydrophobicContact CB-CG2 4.29Å; H150-T158 HydrophobicContact CB-CG2 4.23Å; H150-T158 PolarHBondContact N-O 2.74Å; S151-T158 PolarHBondContact N-O 2.94Å; S151-T158 VanDerWaalsContact N-O 3.12Å; S151-T158 PolarHBondContact O-N 2.94Å; S156-T158 PolarHBondContact O-N 2.86Å |
| 159 | A | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 150.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K83 I84 V91 L95 V148 | K83-A159 WeakPolarHBondContact CA-O 3.18Å; I84-A159 HydrophobicContact CG1-CB 4.31Å; I84-A159 PolarHBondContact N-O 3.46Å; I84-A159 PolarHBondContact O-N 3.34Å; V91-A159 HydrophobicContact CG2-CB 3.86Å; L95-A159 HydrophobicContact CD2-CB 4.01Å; V148-A159 WeakPolarHBondContact O-CA 3.41Å |
| 160 | Y | 97.3 | Very high | 91.5 | Very high | 85 Ų | 85 | 80.6 Ų | 80.6 | 33% | 0.333 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.5 | 174.1 | 70.6 | -89.7 | 0 | 0 | 0 | 111.9 | I82 V148 R162 | I82-Y160 CarbonylContact O-C 3.5Å; I82-Y160 WeakPolarHBondContact O-CA 3.16Å; I82-Y160 VanDerWaalsContact O-CB 3.32Å; I82-Y160 WeakPolarHBondContact O-CB 3.17Å; V148-Y160 HydrophobicContact CB-CD1 4.14Å; V148-Y160 HydrophobicContact CB-CD2 4.35Å; V148-Y160 HydrophobicContact CB-CE1 3.67Å; V148-Y160 HydrophobicContact CB-CE2 3.89Å; V148-Y160 HydrophobicContact CB-CG 4.46Å; V148-Y160 HydrophobicContact CG1-CD1 4.41Å; V148-Y160 HydrophobicContact CG1-CE1 3.58Å; V148-Y160 HydrophobicContact CG1-CE2 4.42Å; V148-Y160 WeakPolarHBondContact CG1-OH 3.33Å; V148-Y160 HydrophobicContact CG2-CE2 3.98Å; V148-Y160 PolarHBondContact N-O 2.93Å; V148-Y160 PolarHBondContact O-N 3.19Å; Y160-R162 HydrophobicContact CE2-CB 4.45Å |
| 161 | L | 96.9 | Very high | 91.8 | Very high | 16 Ų | 16 | 74 Ų | 74 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.3 | 174.5 | -65.3 | -171.9 | 0 | 0 | 0 | 110.5 | I82 L95 G96 P145 I147 L163 | I82-L161 HydrophobicContact CB-CB 4.44Å; I82-L161 PolarHBondContact O-N 3.47Å; L95-L161 HydrophobicContact CD1-CD2 4.3Å; L95-L161 HydrophobicContact CD1-CG 3.87Å; L95-L161 HydrophobicContact CD2-CD2 3.59Å; L95-L161 HydrophobicContact CD2-CG 4.11Å; L95-L161 HydrophobicContact CG-CD1 4.29Å; L95-L161 HydrophobicContact CG-CD2 3.6Å; L95-L161 HydrophobicContact CG-CG 3.67Å; G96-L161 VanDerWaalsContact CA-CD1 3.41Å; P145-L161 HydrophobicContact CB-CB 4.1Å; P145-L161 HydrophobicContact CB-CD1 3.99Å; P145-L161 HydrophobicContact CB-CD2 3.92Å; P145-L161 HydrophobicContact CB-CG 4.22Å; P145-L161 HydrophobicContact CG-CD1 4.15Å; I147-L161 HydrophobicContact CG1-CD2 3.79Å; L161-L163 HydrophobicContact CB-CD2 4.04Å; L161-L163 HydrophobicContact CD1-CD2 4.41Å |
| 162 | R | 96 | Very high | 92.1 | Very high | 98 Ų | 98 | 74.2 Ų | 74.2 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 102 | 162.1 | -173.4 | -177.6 | -62.6 | 142.8 | -3.9 | 108.4 | E146 V148 Y160 | E146-R162 HydrophobicContact CB-CB 4.25Å; E146-R162 PolarHBondContact N-O 3.02Å; E146-R162 VanDerWaalsContact N-O 3.1Å; E146-R162 PolarHBondContact O-N 2.93Å; E146-R162 IonicContact OE1-NH1 3.67Å; E146-R162 PolarHBondContact OE1-NH1 2.99Å; E146-R162 WeakPolarHBondContact OE2-CD 3.44Å; E146-R162 IonicContact OE2-CZ 3.18Å; E146-R162 IonicContact OE2-NE 3.96Å; E146-R162 IonicContact OE2-NH1 3.87Å; E146-R162 PolarHBondContact OE2-NH1 2.85Å; V148-R162 HydrophobicContact CG2-CB 4.28Å; Y160-R162 HydrophobicContact CE2-CB 4.45Å |
| 163 | L | 94.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 71.8 Ų | 71.8 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | trans | -71.7 | 130.5 | 176.6 | -52.2 | 180 | 0 | 0 | 0 | 110 | I82 V128 L141 P145 L161 L166 | I82-L163 HydrophobicContact CG2-CD1 4.39Å; V128-L163 HydrophobicContact CG1-CD1 3.96Å; L141-L163 HydrophobicContact CD2-CD2 4.32Å; P145-L163 HydrophobicContact CB-CD2 3.91Å; P145-L163 HydrophobicContact CG-CD2 3.71Å; L161-L163 HydrophobicContact CB-CD2 4.04Å; L161-L163 HydrophobicContact CD1-CD2 4.41Å; L163-L166 HydrophobicContact CB-CD1 4.41Å; L163-L166 HydrophobicContact CB-CD2 4.1Å | ||
| 164 | R | 91.8 | Very high | 93 | Very high | 128 Ų | 128 | 75.7 Ų | 75.7 | 48% | 0.483 | 40% | 0.396 | S | S | . | . | trans | -128.8 | 154.4 | 177 | -65.6 | -177 | 175.3 | 175.7 | 0.4 | 109.2 | S143 E146 | S143-R164 PolarHBondContact OG-O 3.39Å; E146-R164 IonicContact OE2-CZ 3.41Å; E146-R164 IonicContact OE2-NE 3.99Å; E146-R164 PolarHBondContact OE2-NE 2.85Å; E146-R164 IonicContact OE2-NH1 3.01Å; E146-R164 IonicContact OE2-NH2 2.82Å; E146-R164 PolarHBondContact OE2-NH2 3.01Å | ||
| 165 | N | 93.1 | Very high | 93.7 | Very high | 103 Ų | 103 | 74.8 Ų | 74.8 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 52.6 | 63.8 | 177 | -49 | -46 | 0 | 0 | 0 | 112.5 | Q142 S143 | Q142-N165 HydrophobicContact CB-CB 4.08Å; Q142-N165 WeakPolarHBondContact CB-O 3.47Å; Q142-N165 WeakPolarHBondContact CG-O 3.34Å; Q142-N165 PolarHBondContact N-O 2.94Å; S143-N165 PolarHBondContact OG-ND2 2.83Å |
| 166 | L | 95.4 | Very high | 94.5 | Very high | 89 Ų | 89 | 68 Ų | 68 | 47% | 0.466 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.4 | 175.1 | -60 | -179.8 | 0 | 0 | 0 | 109.8 | I139 L141 L163 | I139-L166 HydrophobicContact CG2-CB 4.21Å; I139-L166 HydrophobicContact CG2-CD1 4.35Å; I139-L166 HydrophobicContact CG2-CD2 4.03Å; I139-L166 HydrophobicContact CG2-CG 4.44Å; L141-L166 HydrophobicContact CD2-CD2 3.28Å; L163-L166 HydrophobicContact CB-CD1 4.41Å; L163-L166 HydrophobicContact CB-CD2 4.1Å |
| 167 | L | 96.8 | Very high | 95 | Very high | 75 Ų | 75 | 66.8 Ų | 66.8 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.5 | 172.9 | -178.7 | 73.6 | 0 | 0 | 0 | 109.7 | R140 Q142 | R140-L167 HydrophobicContact CB-CB 4.45Å; R140-L167 PolarHBondContact N-O 3.09Å; R140-L167 PolarHBondContact O-N 3.4Å; Q142-L167 HydrophobicContact CG-CB 3.81Å |
| 168 | L | 97.5 | Very high | 95.2 | Very high | 122 Ų | 122 | 73.2 Ų | 73.2 | 64% | 0.639 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 117.5 | 169.2 | -168.1 | 68.7 | 0 | 0 | 0 | 109.4 | I139 | I139-L168 HydrophobicContact CG1-CD1 4.3Å |
| 169 | E | 96.8 | Very high | 95.2 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119 | -179.8 | -177.8 | -178.5 | -178.1 | 0 | 0 | 109.7 | S137 R138 | S137-E169 CarbonylContact C-O 3.55Å; S137-E169 WeakPolarHBondContact CA-O 3.32Å; S137-E169 VanDerWaalsContact CB-O 3.27Å; S137-E169 WeakPolarHBondContact CB-O 3.43Å; R138-E169 HydrophobicContact CG-CB 3.96Å; R138-E169 HydrophobicContact CG-CG 4.45Å; R138-E169 IonicContact CZ-OE1 3.92Å; R138-E169 IonicContact CZ-OE2 2.71Å; R138-E169 PolarHBondContact N-O 2.99Å; R138-E169 VanDerWaalsContact NE-CD 3.26Å; R138-E169 IonicContact NE-OE1 2.65Å; R138-E169 IonicContact NE-OE2 3.76Å; R138-E169 PolarHBondContact NE-OE2 3.12Å; R138-E169 IonicContact NH2-OE1 3.27Å; R138-E169 PolarHBondContact NH2-OE1 3.31Å; R138-E169 IonicContact NH2-OE2 3.64Å; R138-E169 PolarHBondContact NH2-OE2 2.73Å; R138-E169 PolarHBondContact O-N 3.14Å |
| 170 | A | 97.7 | Very high | 95.1 | Very high | 78 Ų | 78 | 78.2 Ų | 78.2 | 65% | 0.645 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 137.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 171 | K | 96.8 | Very high | 95 | Very high | 22 Ų | 22 | 80.3 Ų | 80.3 | 10% | 0.096 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 148.3 | 178.9 | -68.9 | 170.4 | 59.3 | 172.9 | 0 | 111.4 | D131 C132 F135 N136 R138 V176 | D131-K171 WeakPolarHBondContact OD1-CD 3.39Å; D131-K171 IonicContact OD1-NZ 2.83Å; D131-K171 PolarHBondContact OD1-NZ 2.78Å; D131-K171 IonicContact OD2-NZ 2.72Å; D131-K171 PolarHBondContact OD2-NZ 3.34Å; C132-K171 PolarHBondContact O-NZ 3.21Å; F135-K171 WeakPolarHBondContact O-CD 3.36Å; N136-K171 PolarHBondContact O-N 2.85Å; R138-K171 HydrophobicContact CB-CD 4.36Å; R138-K171 HydrophobicContact CG-CG 4.45Å; K171-V176 HydrophobicContact CB-CG2 4.2Å |
| 172 | P | 95.2 | Very high | 94.9 | Very high | 55 Ų | 55 | 82.7 Ų | 82.7 | 36% | 0.357 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 144 | 163.1 | -23.1 | 34.3 | 0 | 0 | 0 | 111.3 | D174 E175 | P172-D174 WeakPolarHBondContact CB-OD1 3.42Å; P172-D174 PolarHBondContact O-N 2.83Å; P172-E175 HydrophobicContact CB-CG 4.3Å; P172-E175 HydrophobicContact CG-CG 4.34Å; P172-E175 PolarHBondContact O-N 2.77Å |
| 173 | L | 92.3 | Very high | 94.7 | Very high | 129 Ų | 129 | 80.5 Ų | 80.5 | 68% | 0.675 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -63.1 | -27.7 | -176.8 | -73.3 | 173 | 0 | 0 | 0 | 113.1 | E175 V176 | L173-E175 VanDerWaalsContact C-N 3.28Å; L173-V176 PolarHBondContact O-N 2.81Å |
| 174 | D | 92.2 | Very high | 94.8 | Very high | 141 Ų | 141 | 81.4 Ų | 81.4 | 75% | 0.754 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -73.4 | -16.4 | 176.8 | 56.2 | -55.1 | 0 | 0 | 0 | 113.6 | P172 | P172-D174 WeakPolarHBondContact CB-OD1 3.42Å; P172-D174 PolarHBondContact O-N 2.83Å |
| 175 | E | 92.2 | Very high | 94.9 | Very high | 86 Ų | 86 | 79.1 Ų | 79.1 | 40% | 0.402 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -86.9 | -4.3 | 172.2 | -67 | -178.7 | -162.7 | 0 | 0 | 113 | R138 P172 L173 | R138-E175 IonicContact NH1-OE2 3.55Å; R138-E175 PolarHBondContact NH1-OE2 2.85Å; P172-E175 HydrophobicContact CB-CG 4.3Å; P172-E175 HydrophobicContact CG-CG 4.34Å; P172-E175 PolarHBondContact O-N 2.77Å; L173-E175 VanDerWaalsContact C-N 3.28Å |
| 176 | V | 96.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.018 | 41% | 0.405 | C | S | . | . | trans | -106.3 | 112.8 | -175.5 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | P133 F135 K171 L173 R178 | P133-V176 CarbonylContact O-C 3.56Å; P133-V176 WeakPolarHBondContact O-CA 3.28Å; F135-V176 WeakPolarHBondContact O-CG2 3.21Å; K171-V176 HydrophobicContact CB-CG2 4.2Å; L173-V176 PolarHBondContact O-N 2.81Å; V176-R178 HydrophobicContact CG1-CG 4.16Å | ||
| 177 | C | 95.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 76.7 Ų | 76.7 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | trans | -74.9 | 127.1 | 172.9 | -67.5 | 0 | 0 | 0 | 0 | 110.6 | P133 Q182 F183 | P133-C177 HydrophobicContact CB-CB 4.08Å; P133-C177 PolarHBondContact O-N 2.83Å; C177-Q182 HydrophobicContact CB-CB 4.2Å; C177-F183 HydrophobicContact CB-CD1 4.07Å; C177-F183 HydrophobicContact CB-CE1 3.68Å; C177-F183 HydrophobicContact CB-CE2 4.28Å; C177-F183 HydrophobicContact CB-CZ 3.78Å | ||
| 178 | R | 94.1 | Very high | 94.1 | Very high | 155 Ų | 155 | 73.7 Ų | 73.7 | 59% | 0.585 | 39% | 0.392 | S | S | * | . | trans | -131 | -16.1 | -177.9 | -63.9 | -174.8 | 176.2 | -165.8 | -3.4 | 114.1 | N136 V176 | N136-R178 PolarHBondContact OD1-NH2 2.85Å; N136-R178 VanDerWaalsContact OD1-NH2 3.1Å; V176-R178 HydrophobicContact CG1-CG 4.16Å | ||
| 179 | T | 95.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 76.3 Ų | 76.3 | 33% | 0.331 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -120.6 | 148.9 | -174.8 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | E181 Q182 F183 | T179-E181 WeakPolarHBondContact CB-OE2 3.25Å; T179-E181 PolarHBondContact O-N 3.17Å; T179-Q182 WeakPolarHBondContact O-CB 3.38Å; T179-Q182 PolarHBondContact O-N 3.05Å; T179-Q182 VanDerWaalsContact O-N 3.08Å; T179-Q182 VanDerWaalsContact OG1-CD 3.28Å; T179-Q182 WeakPolarHBondContact OG1-CG 2.96Å; T179-Q182 PolarHBondContact OG1-N 2.84Å; T179-Q182 PolarHBondContact OG1-OE1 2.99Å; T179-F183 WeakPolarHBondContact O-CD2 3.43Å; T179-F183 PolarHBondContact O-N 2.9Å |
| 180 | P | 93.1 | Very high | 91.9 | Very high | 86 Ų | 86 | 75.2 Ų | 75.2 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -51.3 | -38.8 | 174.3 | -27.7 | 36.4 | 0 | 0 | 0 | 113.2 | Q182 F183 L184 | P180-Q182 VanDerWaalsContact C-N 3.34Å; P180-Q182 PolarHBondContact O-N 2.75Å; P180-F183 PolarHBondContact O-N 3.15Å; P180-L184 VanDerWaalsContact O-CG 3.31Å; P180-L184 WeakPolarHBondContact O-CG 3.25Å; P180-L184 PolarHBondContact O-N 3.23Å |
| 181 | E | 94.9 | Very high | 90.4 | Very high | 128 Ų | 128 | 77 Ų | 77 | 60% | 0.598 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.1 | -40.3 | 179.4 | -63 | 70.7 | -153.1 | 0 | 0 | 111.7 | T179 L184 S185 | T179-E181 WeakPolarHBondContact CB-OE2 3.25Å; T179-E181 PolarHBondContact O-N 3.17Å; E181-L184 PolarHBondContact O-N 3.32Å; E181-S185 WeakPolarHBondContact O-CB 3.27Å; E181-S185 PolarHBondContact O-N 2.87Å |
| 182 | Q | 95 | Very high | 88.6 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.4 | -74.2 | 168.7 | -44.1 | 0 | 0 | 111 | C177 T179 P180 S185 L186 | C177-Q182 HydrophobicContact CB-CB 4.2Å; T179-Q182 WeakPolarHBondContact O-CB 3.38Å; T179-Q182 PolarHBondContact O-N 3.05Å; T179-Q182 VanDerWaalsContact O-N 3.08Å; T179-Q182 VanDerWaalsContact OG1-CD 3.28Å; T179-Q182 WeakPolarHBondContact OG1-CG 2.96Å; T179-Q182 PolarHBondContact OG1-N 2.84Å; T179-Q182 PolarHBondContact OG1-OE1 2.99Å; P180-Q182 VanDerWaalsContact C-N 3.34Å; P180-Q182 PolarHBondContact O-N 2.75Å; Q182-S185 PolarHBondContact O-N 3.2Å; Q182-S185 PolarHBondContact O-OG 2.86Å; Q182-L186 PolarHBondContact O-N 2.89Å |
| 183 | F | 93.4 | Very high | 86.9 | Confident | 52 Ų | 52 | 79.6 Ų | 79.6 | 23% | 0.228 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63 | -45 | 176.7 | -69.6 | -72.2 | 0 | 0 | 0 | 112.5 | I134 C177 T179 P180 S185 L186 F204 | I134-F183 HydrophobicContact CG2-CE1 3.34Å; I134-F183 HydrophobicContact CG2-CZ 3.32Å; C177-F183 HydrophobicContact CB-CD1 4.07Å; C177-F183 HydrophobicContact CB-CE1 3.68Å; C177-F183 HydrophobicContact CB-CE2 4.28Å; C177-F183 HydrophobicContact CB-CZ 3.78Å; T179-F183 WeakPolarHBondContact O-CD2 3.43Å; T179-F183 PolarHBondContact O-N 2.9Å; P180-F183 PolarHBondContact O-N 3.15Å; F183-S185 PolarHBondContact O-N 2.97Å; F183-L186 HydrophobicContact CD1-CD1 4.11Å; F183-L186 WeakPolarHBondContact O-CB 3.24Å; F183-L186 PolarHBondContact O-N 3.43Å; F183-L186 VanDerWaalsContact O-N 3.09Å; F183-F204 HydrophobicContact CB-CD2 4.08Å; F183-F204 HydrophobicContact CB-CG 4.36Å; F183-F204 HydrophobicContact CD1-CD2 4.41Å; F183-F204 HydrophobicContact CD1-CE2 4.06Å; F183-F204 HydrophobicContact CD1-CZ 4.4Å; F183-F204 WeakPolarHBondContact O-CD2 3.37Å |
| 184 | L | 95 | Very high | 85.3 | Confident | 63 Ų | 63 | 81.6 Ų | 81.6 | 33% | 0.33 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.7 | -24.1 | 177.4 | -67.6 | 170.4 | 0 | 0 | 0 | 112.4 | P180 E181 L186 F204 T206 | P180-L184 VanDerWaalsContact O-CG 3.31Å; P180-L184 WeakPolarHBondContact O-CG 3.25Å; P180-L184 PolarHBondContact O-N 3.23Å; E181-L184 PolarHBondContact O-N 3.32Å; L184-L186 VanDerWaalsContact C-N 3.34Å; L184-F204 HydrophobicContact CD2-CB 4.36Å; L184-T206 HydrophobicContact CD1-CG2 3.76Å; L184-T206 HydrophobicContact CD2-CG2 3.91Å |
| 185 | S | 93.6 | Very high | 83.6 | Confident | 80 Ų | 80 | 80.2 Ų | 80.2 | 56% | 0.559 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.1 | 174.5 | 78.8 | 0 | 0 | 0 | 0 | 114.3 | E181 Q182 F183 | E181-S185 WeakPolarHBondContact O-CB 3.27Å; E181-S185 PolarHBondContact O-N 2.87Å; Q182-S185 PolarHBondContact O-N 3.2Å; Q182-S185 PolarHBondContact O-OG 2.86Å; F183-S185 PolarHBondContact O-N 2.97Å |
| 186 | L | 93.7 | Very high | 82.1 | Confident | 35 Ų | 35 | 82.5 Ų | 82.5 | 18% | 0.183 | 42% | 0.423 | C | S | . | . | trans | -66 | 137.5 | 179.5 | -69.7 | 173 | 0 | 0 | 0 | 111.1 | P133 Q182 F183 L184 P203 F204 | P133-L186 HydrophobicContact CB-CD1 4.28Å; P133-L186 HydrophobicContact CG-CD1 4.17Å; Q182-L186 PolarHBondContact O-N 2.89Å; F183-L186 HydrophobicContact CD1-CD1 4.11Å; F183-L186 WeakPolarHBondContact O-CB 3.24Å; F183-L186 PolarHBondContact O-N 3.43Å; F183-L186 VanDerWaalsContact O-N 3.09Å; L184-L186 VanDerWaalsContact C-N 3.34Å; L186-P203 HydrophobicContact CB-CG 4.14Å; L186-P203 WeakPolarHBondContact O-CD 3.38Å; L186-F204 HydrophobicContact CD1-CD2 4.08Å; L186-F204 HydrophobicContact CD1-CE2 3.73Å | ||
| 187 | K | 90.6 | Very high | 80.8 | Confident | 107 Ų | 107 | 83.9 Ų | 83.9 | 47% | 0.465 | 43% | 0.434 | S | S | . | . | trans | -139.9 | 128.9 | -179.3 | -59.2 | -71.2 | 176.3 | -178.8 | 0 | 109.5 | E200 S202 | K187-E200 HydrophobicContact CB-CG 3.84Å; K187-E200 WeakPolarHBondContact CB-OE1 3.48Å; K187-E200 HydrophobicContact CD-CG 4.09Å; K187-E200 VanDerWaalsContact CD-OE1 3.32Å; K187-E200 WeakPolarHBondContact CD-OE1 3.35Å; K187-E200 HydrophobicContact CG-CG 4.28Å; K187-E200 WeakPolarHBondContact CG-OE1 3.34Å; K187-S202 WeakPolarHBondContact CD-OG 3.46Å; K187-S202 PolarHBondContact NZ-OG 3.22Å | ||
| 188 | G | 85.5 | Confident | 79.6 | Confident | 11 Ų | 11 | 87.5 Ų | 87.5 | 11% | 0.113 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 156.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S74 E200 R201 | S74-G188 WeakPolarHBondContact O-CA 3.4Å; S74-G188 PolarHBondContact O-N 3.29Å; G188-E200 WeakPolarHBondContact O-CA 3.28Å; G188-R201 PolarHBondContact N-O 2.91Å; G188-R201 PolarHBondContact O-N 2.84Å |
| 189 | K | 76.2 | Confident | 79 | Confident | 178 Ų | 178 | 85.2 Ų | 85.2 | 77% | 0.774 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.9 | 168.1 | -67.9 | -177.4 | -178.8 | 178.5 | 0 | 109 | ||
| 190 | H | 70.5 | Confident | 78.6 | Confident | 33 Ų | 33 | 89.6 Ų | 89.6 | 15% | 0.153 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.8 | 170.1 | -178.4 | -84.1 | 0 | 0 | 0 | 109.5 | E70 T198 H199 R201 | E70-H190 IonicContact OE1-CD2 3.31Å; E70-H190 IonicContact OE1-CE1 3Å; E70-H190 IonicContact OE1-NE2 2.78Å; E70-H190 PolarHBondContact OE1-NE2 2.97Å; E70-H190 IonicContact OE2-CD2 3.79Å; E70-H190 IonicContact OE2-NE2 2.72Å; H190-T198 CarbonylContact O-C 3.58Å; H190-T198 VanDerWaalsContact O-CA 3.25Å; H190-T198 WeakPolarHBondContact O-CA 3.43Å; H190-H199 PolarHBondContact N-O 3.03Å; H190-H199 PolarHBondContact O-N 2.95Å; H190-R201 HydrophobicContact CB-CB 4.21Å |
| 191 | I | 66.5 | Low | 78.4 | Confident | 115 Ų | 115 | 88.6 Ų | 88.6 | 59% | 0.59 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 114 | 175.7 | -59.7 | 170.4 | 0 | 0 | 0 | 107.5 | V193 T198 | I191-V193 PolarHBondContact O-N 3.32Å; I191-T198 HydrophobicContact CG1-CG2 3.98Å |
| 192 | N | 59.6 | Low | 78.4 | Confident | 48 Ų | 48 | 84.3 Ų | 84.3 | 26% | 0.257 | 44% | 0.437 | S | S | . | . | trans | -83 | 111.1 | 170.7 | -169.1 | -13.6 | 0 | 0 | 0 | 109.4 | E194 N195 T196 S197 | N192-E194 PolarHBondContact O-N 2.99Å; N192-E194 PolarHBondContact OD1-N 2.88Å; N192-N195 PolarHBondContact O-N 2.8Å; N192-T196 PolarHBondContact O-N 3.26Å; N192-S197 PolarHBondContact N-O 2.91Å | ||
| 193 | V | 58.7 | Low | 78.3 | Confident | 83 Ų | 83 | 81.4 Ų | 81.4 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31.6 | -177.1 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | Y104 I191 | Y104-V193 HydrophobicContact CG-CG2 4.39Å; I191-V193 PolarHBondContact O-N 3.32Å |
| 194 | E | 59.5 | Low | 78.4 | Confident | 172 Ų | 172 | 82.9 Ų | 82.9 | 80% | 0.804 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -31.6 | -177 | -65.2 | -172.5 | 165.7 | 0 | 0 | 112.9 | N192 | N192-E194 PolarHBondContact O-N 2.99Å; N192-E194 PolarHBondContact OD1-N 2.88Å |
| 195 | N | 55.6 | Low | 78.3 | Confident | 112 Ų | 112 | 84.5 Ų | 84.5 | 60% | 0.599 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | 2.9 | -172.2 | -78 | -23.3 | 0 | 0 | 0 | 114.9 | N192 S197 | N192-N195 PolarHBondContact O-N 2.8Å; N195-S197 PolarHBondContact O-N 2.8Å |
| 196 | T | 61.5 | Low | 78.3 | Confident | 133 Ų | 133 | 82.6 Ų | 82.6 | 82% | 0.816 | 42% | 0.423 | S | S | * | . | trans | 52.7 | 11.9 | -172.3 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | N192 | N192-T196 PolarHBondContact O-N 3.26Š| ||
| 197 | S | 69.8 | Low | 78.4 | Confident | 33 Ų | 33 | 82.7 Ų | 82.7 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | trans | -83.2 | 140.7 | 178.8 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | N192 N195 H199 | N192-S197 PolarHBondContact N-O 2.91Å; N195-S197 PolarHBondContact O-N 2.8Å; S197-H199 PolarHBondContact OG-CD2 3.04Å; S197-H199 PolarHBondContact OG-NE2 3.22Å | ||
| 198 | T | 70.5 | Confident | 78.6 | Confident | 93 Ų | 93 | 79.7 Ų | 79.7 | 57% | 0.571 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.5 | 170.7 | 39.5 | 0 | 0 | 0 | 0 | 109 | H190 I191 | H190-T198 CarbonylContact O-C 3.58Å; H190-T198 VanDerWaalsContact O-CA 3.25Å; H190-T198 WeakPolarHBondContact O-CA 3.43Å; I191-T198 HydrophobicContact CG1-CG2 3.98Å |
| 199 | H | 80.3 | Confident | 79.1 | Confident | 107 Ų | 107 | 83.3 Ų | 83.3 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 146.6 | 175.9 | -65.6 | -70.5 | 0 | 0 | 0 | 109.9 | H190 S197 | H190-H199 PolarHBondContact N-O 3.03Å; H190-H199 PolarHBondContact O-N 2.95Å; S197-H199 PolarHBondContact OG-CD2 3.04Å; S197-H199 PolarHBondContact OG-NE2 3.22Å |
| 200 | E | 87.1 | Confident | 79.9 | Confident | 146 Ų | 146 | 76.8 Ų | 76.8 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.6 | 174.5 | -166 | 176 | 173.2 | 0 | 0 | 109.2 | K187 G188 | K187-E200 HydrophobicContact CB-CG 3.84Å; K187-E200 WeakPolarHBondContact CB-OE1 3.48Å; K187-E200 HydrophobicContact CD-CG 4.09Å; K187-E200 VanDerWaalsContact CD-OE1 3.32Å; K187-E200 WeakPolarHBondContact CD-OE1 3.35Å; K187-E200 HydrophobicContact CG-CG 4.28Å; K187-E200 WeakPolarHBondContact CG-OE1 3.34Å; G188-E200 WeakPolarHBondContact O-CA 3.28Å |
| 201 | R | 89.5 | Confident | 81.2 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 25% | 0.245 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.9 | -179.9 | -177.1 | 173.6 | 176.7 | 101.7 | 11.7 | 110 | E70 D71 G188 H190 | E70-R201 IonicContact OE2-CZ 2.66Å; E70-R201 IonicContact OE2-NE 3.15Å; E70-R201 IonicContact OE2-NH1 2.6Å; E70-R201 PolarHBondContact OE2-NH1 3.22Å; E70-R201 IonicContact OE2-NH2 3.78Å; D71-R201 IonicContact OD1-CZ 3.59Å; D71-R201 VanDerWaalsContact OD1-CZ 3.23Å; D71-R201 IonicContact OD1-NE 3.7Å; D71-R201 PolarHBondContact OD1-NE 2.96Å; D71-R201 IonicContact OD1-NH2 2.9Å; D71-R201 PolarHBondContact OD1-NH2 3Å; D71-R201 IonicContact OD2-NH2 3.4Å; D71-R201 PolarHBondContact OD2-NH2 3.29Å; G188-R201 PolarHBondContact N-O 2.91Å; G188-R201 PolarHBondContact O-N 2.84Å; H190-R201 HydrophobicContact CB-CB 4.21Å |
| 202 | S | 93.8 | Very high | 82.6 | Confident | 37 Ų | 37 | 77.1 Ų | 77.1 | 26% | 0.259 | 39% | 0.394 | S | S | . | . | trans | -97.2 | 115.5 | 173.9 | -45.6 | 0 | 0 | 0 | 0 | 108.3 | K187 F204 | K187-S202 WeakPolarHBondContact CD-OG 3.46Å; K187-S202 PolarHBondContact NZ-OG 3.22Å; S202-F204 VanDerWaalsContact C-N 3.29Å; S202-F204 PolarHBondContact O-N 3.5Å | ||
| 203 | P | 93.9 | Very high | 84.3 | Confident | 7 Ų | 7 | 77 Ų | 77 | 5% | 0.045 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -74.4 | -21.8 | -177.7 | 29.4 | -34.5 | 0 | 0 | 0 | 113.2 | D71 A75 L186 | D71-P203 HydrophobicContact CB-CB 4.02Å; D71-P203 VanDerWaalsContact O-CB 3.3Å; D71-P203 WeakPolarHBondContact O-CB 3.43Å; A75-P203 HydrophobicContact CB-CB 3.88Å; A75-P203 HydrophobicContact CB-CG 3.89Å; L186-P203 HydrophobicContact CB-CG 4.14Å; L186-P203 WeakPolarHBondContact O-CD 3.38Å |
| 204 | F | 94.2 | Very high | 86.1 | Confident | 82 Ų | 82 | 73.3 Ų | 73.3 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | trans | -120.5 | 135.2 | 179.1 | -55.8 | -72.4 | 0 | 0 | 0 | 109.6 | A75 F183 L184 L186 S202 | A75-F204 HydrophobicContact CB-CE2 3.93Å; A75-F204 HydrophobicContact CB-CZ 4.15Å; F183-F204 HydrophobicContact CB-CD2 4.08Å; F183-F204 HydrophobicContact CB-CG 4.36Å; F183-F204 HydrophobicContact CD1-CD2 4.41Å; F183-F204 HydrophobicContact CD1-CE2 4.06Å; F183-F204 HydrophobicContact CD1-CZ 4.4Å; F183-F204 WeakPolarHBondContact O-CD2 3.37Å; L184-F204 HydrophobicContact CD2-CB 4.36Å; L186-F204 HydrophobicContact CD1-CD2 4.08Å; L186-F204 HydrophobicContact CD1-CE2 3.73Å; S202-F204 VanDerWaalsContact C-N 3.29Å; S202-F204 PolarHBondContact O-N 3.5Å | ||
| 205 | I | 93.4 | Very high | 88 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | trans | -137.5 | 152.4 | 173.4 | 60.3 | 174 | 0 | 0 | 0 | 108.5 | E209 R210 | I205-E209 HydrophobicContact CB-CB 4.38Å; I205-R210 HydrophobicContact CD1-CB 3.85Å; I205-R210 HydrophobicContact CD1-CG 4.36Å | ||
| 206 | T | 94.4 | Very high | 90 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | trans | -72.5 | 156.2 | 173.9 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | L184 F208 E209 R210 | L184-T206 HydrophobicContact CD1-CG2 3.76Å; L184-T206 HydrophobicContact CD2-CG2 3.91Å; T206-F208 PolarHBondContact O-N 3.07Å; T206-E209 PolarHBondContact N-OE2 2.9Å; T206-E209 PolarHBondContact O-N 2.99Å; T206-E209 WeakPolarHBondContact OG1-CB 3.18Å; T206-E209 VanDerWaalsContact OG1-CD 3.31Å; T206-E209 WeakPolarHBondContact OG1-CG 3.39Å; T206-E209 PolarHBondContact OG1-N 2.98Å; T206-E209 VanDerWaalsContact OG1-N 3.09Å; T206-E209 PolarHBondContact OG1-OE2 2.91Å; T206-R210 PolarHBondContact O-N 2.64Å; T206-R210 VanDerWaalsContact O-N 3.07Å | ||
| 207 | P | 94.6 | Very high | 91.6 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 24% | 0.24 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52.5 | -39 | 170.9 | -27.3 | 35.4 | 0 | 0 | 0 | 112.2 | R210 L211 I453 L456 | P207-R210 WeakPolarHBondContact O-CB 3.41Å; P207-R210 PolarHBondContact O-N 2.76Å; P207-L211 VanDerWaalsContact O-CG 3.24Å; P207-L211 WeakPolarHBondContact O-CG 3.38Å; P207-L211 PolarHBondContact O-N 3.03Å; P207-L211 VanDerWaalsContact O-N 3.09Å; P207-I453 HydrophobicContact CB-CG2 4.32Å; P207-L456 HydrophobicContact CB-CD1 4.3Å; P207-L456 HydrophobicContact CG-CD2 4.43Å; P207-L456 HydrophobicContact CG-CG 4.47Å |
| 208 | F | 95.8 | Very high | 92.9 | Very high | 45 Ų | 45 | 63 Ų | 63 | 20% | 0.197 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.8 | -38 | -179.2 | -55.3 | -66.5 | 0 | 0 | 0 | 113.6 | T206 R210 L211 K212 I453 L456 T463 Y465 F466 | T206-F208 PolarHBondContact O-N 3.07Å; F208-R210 VanDerWaalsContact C-N 3.32Å; F208-L211 HydrophobicContact CD1-CD1 4.46Å; F208-L211 PolarHBondContact O-N 3.03Å; F208-K212 PolarHBondContact O-N 3.28Å; F208-I453 HydrophobicContact CE1-CD1 4.32Å; F208-L456 HydrophobicContact CE1-CD1 4.46Å; F208-L456 HydrophobicContact CZ-CD1 4.08Å; F208-T463 HydrophobicContact CE1-CG2 4.07Å; F208-T463 HydrophobicContact CZ-CG2 4.48Å; F208-Y465 HydrophobicContact CB-CD1 4.05Å; F208-Y465 HydrophobicContact CB-CD2 3.99Å; F208-Y465 HydrophobicContact CB-CE1 3.69Å; F208-Y465 HydrophobicContact CB-CE2 3.6Å; F208-Y465 HydrophobicContact CB-CG 4.21Å; F208-Y465 VanDerWaalsContact CB-CZ 3.45Å; F208-Y465 AromaticContact CD1-CD1 3.55Å; F208-Y465 HydrophobicContact CD1-CD1 3.55Å; F208-Y465 AromaticContact CD1-CD2 3.83Å; F208-Y465 HydrophobicContact CD1-CD2 3.83Å; F208-Y465 HydrophobicContact CD1-CE1 4.09Å; F208-Y465 HydrophobicContact CD1-CE2 4.32Å; F208-Y465 AromaticContact CD1-CG 3.42Å; F208-Y465 HydrophobicContact CD1-CG 3.42Å; F208-Y465 VanDerWaalsContact CD1-CG 3.42Å; F208-Y465 AromaticContact CD2-CD2 3.6Å; F208-Y465 HydrophobicContact CD2-CD2 3.6Å; F208-Y465 AromaticContact CD2-CE2 3.87Å; F208-Y465 HydrophobicContact CD2-CE2 3.87Å; F208-Y465 HydrophobicContact CD2-CG 4.08Å; F208-Y465 VanDerWaalsContact CE1-CB 3.5Å; F208-Y465 HydrophobicContact CE1-CD1 4.17Å; F208-Y465 HydrophobicContact CE1-CD2 4.18Å; F208-Y465 AromaticContact CE1-CG 3.69Å; F208-Y465 HydrophobicContact CE1-CG 3.69Å; F208-Y465 AromaticContact CE2-CD2 3.98Å; F208-Y465 HydrophobicContact CE2-CD2 3.98Å; F208-Y465 HydrophobicContact CE2-CG 4.31Å; F208-Y465 AromaticContact CG-CD1 3.88Å; F208-Y465 HydrophobicContact CG-CD1 3.88Å; F208-Y465 AromaticContact CG-CD2 3.52Å; F208-Y465 HydrophobicContact CG-CD2 3.52Å; F208-Y465 HydrophobicContact CG-CE1 4.04Å; F208-Y465 AromaticContact CG-CE2 3.67Å; F208-Y465 HydrophobicContact CG-CE2 3.67Å; F208-Y465 AromaticContact CG-CG 3.63Å; F208-Y465 HydrophobicContact CG-CG 3.63Å; F208-Y465 AromaticContact CG-CZ 3.94Å; F208-Y465 HydrophobicContact CZ-CD2 4.25Å; F208-Y465 HydrophobicContact CZ-CG 4.13Å; F208-F466 HydrophobicContact CD1-CE2 4.48Å |
| 209 | E | 94.7 | Very high | 94.2 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 41% | 0.407 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 172.1 | -74.8 | 164.3 | 148.9 | 0 | 0 | 111.8 | I205 T206 L211 K212 | I205-E209 HydrophobicContact CB-CB 4.38Å; T206-E209 PolarHBondContact N-OE2 2.9Å; T206-E209 PolarHBondContact O-N 2.99Å; T206-E209 WeakPolarHBondContact OG1-CB 3.18Å; T206-E209 VanDerWaalsContact OG1-CD 3.31Å; T206-E209 WeakPolarHBondContact OG1-CG 3.39Å; T206-E209 PolarHBondContact OG1-N 2.98Å; T206-E209 VanDerWaalsContact OG1-N 3.09Å; T206-E209 PolarHBondContact OG1-OE2 2.91Å; E209-L211 VanDerWaalsContact C-N 3.27Å; E209-L211 PolarHBondContact O-N 3.45Å; E209-K212 WeakPolarHBondContact O-CB 3.37Å; E209-K212 PolarHBondContact O-N 3.36Å |
| 210 | R | 94.7 | Very high | 95 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.2 | -43.1 | 172.8 | -176 | -177.9 | 66.2 | 65.2 | -2.4 | 111.1 | I205 T206 P207 F208 K212 S213 E455 | I205-R210 HydrophobicContact CD1-CB 3.85Å; I205-R210 HydrophobicContact CD1-CG 4.36Å; T206-R210 PolarHBondContact O-N 2.64Å; T206-R210 VanDerWaalsContact O-N 3.07Å; P207-R210 WeakPolarHBondContact O-CB 3.41Å; P207-R210 PolarHBondContact O-N 2.76Å; F208-R210 VanDerWaalsContact C-N 3.32Å; R210-K212 VanDerWaalsContact C-N 3.3Å; R210-K212 PolarHBondContact O-N 3.32Å; R210-S213 PolarHBondContact O-N 2.9Å; R210-S213 PolarHBondContact O-OG 3.45Å; R210-E455 IonicContact CZ-OE1 3.02Å; R210-E455 VanDerWaalsContact CZ-OE1 3.3Å; R210-E455 IonicContact CZ-OE2 3.55Å; R210-E455 IonicContact NE-OE1 2.87Å; R210-E455 PolarHBondContact NE-OE1 3.49Å; R210-E455 IonicContact NE-OE2 3.03Å; R210-E455 VanDerWaalsContact NH2-CD 3.35Å; R210-E455 IonicContact NH2-OE1 3.91Å; R210-E455 PolarHBondContact NH2-OE1 2.88Å; R210-E455 VanDerWaalsContact NH2-OE1 3.07Å; R210-E455 IonicContact NH2-OE2 3.12Å; R210-E455 PolarHBondContact NH2-OE2 2.77Å |
| 211 | L | 97 | Very high | 95.4 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -23.9 | -177 | -66.7 | 170.7 | 0 | 0 | 0 | 113.9 | P207 F208 E209 S213 I214 I453 F466 V475 L479 | P207-L211 VanDerWaalsContact O-CG 3.24Å; P207-L211 WeakPolarHBondContact O-CG 3.38Å; P207-L211 PolarHBondContact O-N 3.03Å; P207-L211 VanDerWaalsContact O-N 3.09Å; F208-L211 HydrophobicContact CD1-CD1 4.46Å; F208-L211 PolarHBondContact O-N 3.03Å; E209-L211 VanDerWaalsContact C-N 3.27Å; E209-L211 PolarHBondContact O-N 3.45Å; L211-S213 PolarHBondContact O-N 3.08Å; L211-I214 HydrophobicContact CD2-CD1 4.47Å; L211-I214 HydrophobicContact CD2-CG1 4.44Å; L211-I214 VanDerWaalsContact O-CB 3.26Å; L211-I214 WeakPolarHBondContact O-CB 3.46Å; L211-I214 WeakPolarHBondContact O-CG2 3.06Å; L211-I214 PolarHBondContact O-N 2.86Å; L211-I453 HydrophobicContact CD1-CD1 3.69Å; L211-I453 HydrophobicContact CD1-CG1 3.9Å; L211-I453 HydrophobicContact CD1-CG2 4.46Å; L211-F466 HydrophobicContact CD1-CZ 4.26Å; L211-V475 HydrophobicContact CB-CG1 4.28Å; L211-V475 HydrophobicContact CD1-CG1 4.06Å; L211-V475 HydrophobicContact CD2-CG1 3.93Å; L211-V475 HydrophobicContact CG-CG1 4.29Å; L211-L479 HydrophobicContact CD2-CD1 3.95Å; L211-L479 HydrophobicContact CD2-CD2 3.81Å; L211-L479 HydrophobicContact CD2-CG 4.12Å |
| 212 | K | 95.4 | Very high | 95.7 | Very high | 150 Ų | 150 | 50.3 Ų | 50.3 | 65% | 0.652 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.9 | 175.9 | -67.2 | 177.2 | -178.9 | 172.3 | 0 | 113.8 | F208 E209 R210 | F208-K212 PolarHBondContact O-N 3.28Å; E209-K212 WeakPolarHBondContact O-CB 3.37Å; E209-K212 PolarHBondContact O-N 3.36Å; R210-K212 VanDerWaalsContact C-N 3.3Å; R210-K212 PolarHBondContact O-N 3.32Å |
| 213 | S | 95.8 | Very high | 95.8 | Very high | 45 Ų | 45 | 53.5 Ų | 53.5 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 12.9 | 179.7 | 67 | 0 | 0 | 0 | 0 | 113.4 | R210 L211 S215 L216 K217 | R210-S213 PolarHBondContact O-N 2.9Å; R210-S213 PolarHBondContact O-OG 3.45Å; L211-S213 PolarHBondContact O-N 3.08Å; S213-S215 VanDerWaalsContact C-N 3.31Å; S213-S215 PolarHBondContact O-N 2.93Å; S213-L216 PolarHBondContact O-N 3.33Å; S213-K217 WeakPolarHBondContact O-CB 3.29Å; S213-K217 WeakPolarHBondContact O-CG 3.26Å; S213-K217 PolarHBondContact O-N 2.61Å |
| 214 | I | 97.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.9 | -41.1 | -169.7 | -169.6 | 57.2 | 0 | 0 | 0 | 112.7 | L211 T218 V475 W478 L479 | L211-I214 HydrophobicContact CD2-CD1 4.47Å; L211-I214 HydrophobicContact CD2-CG1 4.44Å; L211-I214 VanDerWaalsContact O-CB 3.26Å; L211-I214 WeakPolarHBondContact O-CB 3.46Å; L211-I214 WeakPolarHBondContact O-CG2 3.06Å; L211-I214 PolarHBondContact O-N 2.86Å; I214-T218 VanDerWaalsContact O-CB 3.23Å; I214-T218 WeakPolarHBondContact O-CB 3.34Å; I214-T218 PolarHBondContact O-N 3.03Å; I214-T218 PolarHBondContact O-OG1 3.36Å; I214-V475 HydrophobicContact CG2-CG2 4.46Å; I214-W478 HydrophobicContact CG1-CB 3.8Å; I214-W478 HydrophobicContact CG2-CB 3.93Å; I214-W478 HydrophobicContact CG2-CG 4.19Å; I214-L479 HydrophobicContact CD1-CD2 4.07Å; I214-L479 HydrophobicContact CG1-CD2 4.41Å; I214-L479 HydrophobicContact CG1-CG 4.5Å |
| 215 | S | 97.8 | Very high | 95.7 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -57.1 | 179.3 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | S213 K217 T218 C219 | S213-S215 VanDerWaalsContact C-N 3.31Å; S213-S215 PolarHBondContact O-N 2.93Å; S215-K217 PolarHBondContact O-N 2.78Å; S215-T218 PolarHBondContact O-N 3.29Å; S215-C219 PolarHBondContact O-N 3.41Å; S215-C219 PolarHBondContact O-SG 3.17Å; S215-C219 VanDerWaalsContact O-SG 3.38Å |
| 216 | L | 97.4 | Very high | 95.7 | Very high | 99 Ų | 99 | 48.3 Ų | 48.3 | 52% | 0.518 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55.9 | -50.2 | 178.5 | 179.2 | 65.6 | 0 | 0 | 0 | 111.2 | S213 T218 C219 E220 | S213-L216 PolarHBondContact O-N 3.33Å; L216-T218 VanDerWaalsContact C-N 3.33Å; L216-T218 PolarHBondContact O-N 3.11Å; L216-C219 PolarHBondContact O-N 3.19Å; L216-E220 HydrophobicContact CD1-CG 4.38Å; L216-E220 HydrophobicContact CG-CG 4.5Å; L216-E220 WeakPolarHBondContact O-CG 3.44Å; L216-E220 PolarHBondContact O-N 2.89Å |
| 217 | K | 96.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 37% | 0.365 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.9 | -33.5 | -177.7 | -73.4 | -67 | 175.5 | -160.9 | 0 | 113.2 | S213 S215 E220 E221 | S213-K217 WeakPolarHBondContact O-CB 3.29Å; S213-K217 WeakPolarHBondContact O-CG 3.26Å; S213-K217 PolarHBondContact O-N 2.61Å; S215-K217 PolarHBondContact O-N 2.78Å; K217-E220 WeakPolarHBondContact CD-OE2 3.34Å; K217-E220 IonicContact NZ-OE2 2.84Å; K217-E220 PolarHBondContact NZ-OE2 2.64Å; K217-E221 VanDerWaalsContact O-CB 3.27Å; K217-E221 WeakPolarHBondContact O-CB 3.43Å; K217-E221 PolarHBondContact O-N 2.63Å |
| 218 | T | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | I214 S215 L216 E221 I222 W478 R482 A523 | I214-T218 VanDerWaalsContact O-CB 3.23Å; I214-T218 WeakPolarHBondContact O-CB 3.34Å; I214-T218 PolarHBondContact O-N 3.03Å; I214-T218 PolarHBondContact O-OG1 3.36Å; S215-T218 PolarHBondContact O-N 3.29Å; L216-T218 VanDerWaalsContact C-N 3.33Å; L216-T218 PolarHBondContact O-N 3.11Å; T218-E221 PolarHBondContact O-N 2.99Å; T218-I222 HydrophobicContact CG2-CD1 3.88Å; T218-I222 WeakPolarHBondContact O-CG1 3.32Å; T218-I222 PolarHBondContact O-N 3.14Å; T218-W478 HydrophobicContact CG2-CE3 4.07Å; T218-W478 HydrophobicContact CG2-CZ3 4.3Å; T218-R482 HydrophobicContact CG2-CB 3.88Å; T218-R482 HydrophobicContact CG2-CG 4.06Å; T218-R482 WeakPolarHBondContact OG1-CD 3.37Å; T218-A523 HydrophobicContact CG2-CB 4.48Å |
| 219 | C | 97.7 | Very high | 94.9 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 14% | 0.142 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.2 | -67 | 0 | 0 | 0 | 0 | 112.3 | S215 L216 K223 | S215-C219 PolarHBondContact O-N 3.41Å; S215-C219 PolarHBondContact O-SG 3.17Å; S215-C219 VanDerWaalsContact O-SG 3.38Å; L216-C219 PolarHBondContact O-N 3.19Å; C219-K223 WeakPolarHBondContact O-CB 3.31Å; C219-K223 PolarHBondContact O-N 3.38Å |
| 220 | E | 96.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.9 | -74.3 | 177.2 | 169.9 | 0 | 0 | 111.8 | L216 K217 G224 | L216-E220 HydrophobicContact CD1-CG 4.38Å; L216-E220 HydrophobicContact CG-CG 4.5Å; L216-E220 WeakPolarHBondContact O-CG 3.44Å; L216-E220 PolarHBondContact O-N 2.89Å; K217-E220 WeakPolarHBondContact CD-OE2 3.34Å; K217-E220 IonicContact NZ-OE2 2.84Å; K217-E220 PolarHBondContact NZ-OE2 2.64Å; E220-G224 PolarHBondContact O-N 3.13Å |
| 221 | E | 95.5 | Very high | 93.9 | Very high | 33 Ų | 33 | 52.9 Ų | 52.9 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -52.7 | 179 | -172 | 174.9 | 159.8 | 0 | 0 | 111 | K217 T218 K223 G224 D225 R482 H485 R486 | K217-E221 VanDerWaalsContact O-CB 3.27Å; K217-E221 WeakPolarHBondContact O-CB 3.43Å; K217-E221 PolarHBondContact O-N 2.63Å; T218-E221 PolarHBondContact O-N 2.99Å; E221-K223 PolarHBondContact O-N 3.37Å; E221-G224 PolarHBondContact O-N 3.25Å; E221-D225 WeakPolarHBondContact O-CB 3.49Å; E221-D225 PolarHBondContact O-N 3.26Å; E221-R482 IonicContact OE2-CZ 3.7Å; E221-R482 IonicContact OE2-NE 3.95Å; E221-R482 PolarHBondContact OE2-NE 3.38Å; E221-R482 IonicContact OE2-NH2 2.73Å; E221-R482 PolarHBondContact OE2-NH2 3.08Å; E221-H485 IonicContact OE1-CD2 3.3Å; E221-R486 WeakPolarHBondContact OE1-CG 3.23Å; E221-R486 IonicContact OE1-CZ 3.43Å; E221-R486 IonicContact OE1-NE 2.77Å; E221-R486 PolarHBondContact OE1-NE 3.4Å; E221-R486 IonicContact OE1-NH2 3.13Å; E221-R486 IonicContact OE2-CZ 3.05Å; E221-R486 IonicContact OE2-NE 3.75Å; E221-R486 PolarHBondContact OE2-NE 3.41Å; E221-R486 IonicContact OE2-NH2 2.81Å; E221-R486 PolarHBondContact OE2-NH2 3.38Å |
| 222 | I | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 179.7 | -72.8 | 166.3 | 0 | 0 | 0 | 111.5 | T218 D225 F226 H485 W497 A523 V524 | T218-I222 HydrophobicContact CG2-CD1 3.88Å; T218-I222 WeakPolarHBondContact O-CG1 3.32Å; T218-I222 PolarHBondContact O-N 3.14Å; I222-D225 PolarHBondContact O-N 3.18Å; I222-F226 VanDerWaalsContact O-CB 3.26Å; I222-F226 WeakPolarHBondContact O-CB 3.29Å; I222-F226 PolarHBondContact O-N 3.07Å; I222-H485 HydrophobicContact CD1-CB 4.31Å; I222-H485 HydrophobicContact CG1-CB 4.11Å; I222-H485 VanDerWaalsContact CG1-CG 3.46Å; I222-W497 HydrophobicContact CD1-CZ2 3.9Å; I222-W497 HydrophobicContact CG1-CZ2 4.22Å; I222-W497 VanDerWaalsContact CG2-NE1 3.27Å; I222-A523 HydrophobicContact CD1-CB 3.6Å; I222-A523 WeakPolarHBondContact CG2-O 3.33Å; I222-V524 HydrophobicContact CD1-CG2 4.44Å |
| 223 | K | 95.1 | Very high | 92 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | -179.9 | -176.8 | -176 | -175.2 | 172.2 | 0 | 111.3 | C219 E221 F226 I227 Q527 | C219-K223 WeakPolarHBondContact O-CB 3.31Å; C219-K223 PolarHBondContact O-N 3.38Å; E221-K223 PolarHBondContact O-N 3.37Å; K223-F226 PolarHBondContact O-N 3.06Å; K223-I227 HydrophobicContact CG-CD1 3.91Å; K223-I227 VanDerWaalsContact O-CG1 3.29Å; K223-I227 WeakPolarHBondContact O-CG1 3.21Å; K223-I227 PolarHBondContact O-N 2.91Å; K223-Q527 HydrophobicContact CB-CB 4.28Å; K223-Q527 HydrophobicContact CB-CG 4.33Å |
| 224 | G | 93.9 | Very high | 90.8 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | E220 E221 I227 N228 | E220-G224 PolarHBondContact O-N 3.13Å; E221-G224 PolarHBondContact O-N 3.25Å; G224-I227 PolarHBondContact O-N 2.88Å; G224-N228 WeakPolarHBondContact O-CB 3.49Å; G224-N228 VanDerWaalsContact O-CG 3.23Å; G224-N228 PolarHBondContact O-N 2.83Å; G224-N228 PolarHBondContact O-ND2 2.85Å; G224-N228 VanDerWaalsContact O-ND2 3.15Å |
| 225 | D | 93.6 | Very high | 89.1 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67 | -38.6 | 180 | -73.5 | -29.5 | 0 | 0 | 0 | 112.7 | E221 I222 N228 A229 H485 K489 I496 | E221-D225 WeakPolarHBondContact O-CB 3.49Å; E221-D225 PolarHBondContact O-N 3.26Å; I222-D225 PolarHBondContact O-N 3.18Å; D225-N228 PolarHBondContact O-N 2.59Å; D225-A229 WeakPolarHBondContact O-CB 3.34Å; D225-A229 PolarHBondContact O-N 3.09Å; D225-H485 IonicContact OD2-CE1 2.86Å; D225-H485 IonicContact OD2-NE2 3.07Å; D225-H485 PolarHBondContact OD2-NE2 3.28Å; D225-K489 VanDerWaalsContact OD1-CE 3.31Å; D225-K489 WeakPolarHBondContact OD1-CE 3.21Å; D225-K489 IonicContact OD1-NZ 3.17Å; D225-K489 PolarHBondContact OD1-NZ 3.1Å; D225-K489 VanDerWaalsContact OD2-CD 3.23Å; D225-K489 WeakPolarHBondContact OD2-CD 3.4Å; D225-K489 VanDerWaalsContact OD2-CE 3.23Å; D225-K489 WeakPolarHBondContact OD2-CE 3.41Å; D225-K489 IonicContact OD2-NZ 3.79Å; D225-K489 PolarHBondContact OD2-NZ 2.66Å; D225-I496 HydrophobicContact CB-CD1 3.93Å |
| 226 | F | 92.3 | Very high | 87.2 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 175 | 179 | -104.3 | 0 | 0 | 0 | 112.3 | I222 K223 N228 A229 M230 W497 M498 T528 | I222-F226 VanDerWaalsContact O-CB 3.26Å; I222-F226 WeakPolarHBondContact O-CB 3.29Å; I222-F226 PolarHBondContact O-N 3.07Å; K223-F226 PolarHBondContact O-N 3.06Å; F226-N228 VanDerWaalsContact C-N 3.32Å; F226-N228 PolarHBondContact O-N 3.44Å; F226-A229 PolarHBondContact O-N 3.4Å; F226-M230 HydrophobicContact CD1-CG 4.4Å; F226-M230 HydrophobicContact CE1-CG 3.97Å; F226-M230 HydrophobicContact CE2-CG 4.38Å; F226-M230 HydrophobicContact CZ-CG 3.97Å; F226-M230 HydrophobicContact CZ-SD 4.27Å; F226-M230 PolarHBondContact O-N 3.04Å; F226-W497 HydrophobicContact CD2-CB 4.19Å; F226-M498 HydrophobicContact CD2-CE 4.27Å; F226-M498 HydrophobicContact CE2-CE 4Å; F226-M498 HydrophobicContact CE2-CG 3.85Å; F226-T528 HydrophobicContact CB-CG2 4.42Å; F226-T528 HydrophobicContact CD1-CG2 4.06Å; F226-T528 HydrophobicContact CD2-CG2 3.64Å; F226-T528 HydrophobicContact CE1-CG2 4.2Å; F226-T528 HydrophobicContact CE2-CG2 3.79Å; F226-T528 HydrophobicContact CG-CG2 3.77Å; F226-T528 HydrophobicContact CZ-CG2 4.07Å |
| 227 | I | 91.3 | Very high | 84.6 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 41% | 0.41 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.8 | -69.9 | 168.9 | 0 | 0 | 0 | 110.4 | K223 G224 A229 M230 L231 | K223-I227 HydrophobicContact CG-CD1 3.91Å; K223-I227 VanDerWaalsContact O-CG1 3.29Å; K223-I227 WeakPolarHBondContact O-CG1 3.21Å; K223-I227 PolarHBondContact O-N 2.91Å; G224-I227 PolarHBondContact O-N 2.88Å; I227-A229 VanDerWaalsContact C-N 3.33Å; I227-A229 PolarHBondContact O-N 3.39Å; I227-M230 PolarHBondContact O-N 3.25Å; I227-L231 HydrophobicContact CG2-CD1 4.03Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CG 3.42Å; I227-L231 PolarHBondContact O-N 3Å |
| 228 | N | 88.7 | Confident | 82 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 43% | 0.428 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 177.8 | -74.8 | -29.3 | 0 | 0 | 0 | 112.2 | G224 D225 F226 R232 | G224-N228 WeakPolarHBondContact O-CB 3.49Å; G224-N228 VanDerWaalsContact O-CG 3.23Å; G224-N228 PolarHBondContact O-N 2.83Å; G224-N228 PolarHBondContact O-ND2 2.85Å; G224-N228 VanDerWaalsContact O-ND2 3.15Å; D225-N228 PolarHBondContact O-N 2.59Å; F226-N228 VanDerWaalsContact C-N 3.32Å; F226-N228 PolarHBondContact O-N 3.44Å; N228-R232 WeakPolarHBondContact O-CG 3.2Å; N228-R232 PolarHBondContact O-N 3.37Å; N228-R232 VanDerWaalsContact O-N 3.15Å |
| 229 | A | 87.4 | Confident | 79 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.008 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D225 F226 I227 L231 R232 K233 M498 | D225-A229 WeakPolarHBondContact O-CB 3.34Å; D225-A229 PolarHBondContact O-N 3.09Å; F226-A229 PolarHBondContact O-N 3.4Å; I227-A229 VanDerWaalsContact C-N 3.33Å; I227-A229 PolarHBondContact O-N 3.39Å; A229-L231 PolarHBondContact O-N 2.84Å; A229-R232 PolarHBondContact O-N 3.47Å; A229-K233 PolarHBondContact O-N 3.12Å; A229-M498 HydrophobicContact CB-CE 3.82Å |
| 230 | M | 85.2 | Confident | 76.3 | Confident | 85 Ų | 85 | 83 Ų | 83 | 42% | 0.419 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 176.5 | -77.3 | -65.9 | -75.5 | 0 | 0 | 112.7 | F226 I227 R232 K233 T234 M498 | F226-M230 HydrophobicContact CD1-CG 4.4Å; F226-M230 HydrophobicContact CE1-CG 3.97Å; F226-M230 HydrophobicContact CE2-CG 4.38Å; F226-M230 HydrophobicContact CZ-CG 3.97Å; F226-M230 HydrophobicContact CZ-SD 4.27Å; F226-M230 PolarHBondContact O-N 3.04Å; I227-M230 PolarHBondContact O-N 3.25Å; M230-R232 PolarHBondContact O-N 2.64Å; M230-K233 PolarHBondContact O-N 3.41Å; M230-T234 PolarHBondContact O-N 2.66Å; M230-T234 PolarHBondContact O-OG1 3.1Å; M230-M498 HydrophobicContact CB-CE 4.15Å; M230-M498 HydrophobicContact CG-CE 3.38Å; M230-M498 HydrophobicContact SD-CE 3.25Å; M230-M498 WeakPolarHBondContact SD-CE 3.45Å; M230-M498 HydrophobicContact SD-SD 3.82Å |
| 231 | L | 84.6 | Confident | 73.3 | Confident | 100 Ų | 100 | 85.7 Ų | 85.7 | 52% | 0.524 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 177.5 | -70.8 | 172.2 | 0 | 0 | 0 | 111.8 | I227 A229 T234 N235 | I227-L231 HydrophobicContact CG2-CD1 4.03Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CG 3.42Å; I227-L231 PolarHBondContact O-N 3Å; A229-L231 PolarHBondContact O-N 2.84Å; L231-T234 PolarHBondContact O-N 2.82Å; L231-N235 PolarHBondContact O-N 3.49Å |
| 232 | R | 78.9 | Confident | 70.5 | Confident | 141 Ų | 141 | 92 Ų | 92 | 53% | 0.532 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 176.6 | -71.7 | 174.5 | -173.2 | 179.6 | 2.4 | 112.2 | N228 A229 M230 T234 N235 N236 | N228-R232 WeakPolarHBondContact O-CG 3.2Å; N228-R232 PolarHBondContact O-N 3.37Å; N228-R232 VanDerWaalsContact O-N 3.15Å; A229-R232 PolarHBondContact O-N 3.47Å; M230-R232 PolarHBondContact O-N 2.64Å; R232-T234 VanDerWaalsContact C-N 3.35Å; R232-N235 PolarHBondContact O-N 3.14Å; R232-N236 PolarHBondContact O-N 3.38Å |
| 233 | K | 73.2 | Confident | 67.7 | Low | 88 Ų | 88 | 97.6 Ų | 97.6 | 38% | 0.383 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 178.4 | -165.7 | 168.8 | -175.6 | 166.7 | 0 | 112 | A229 M230 N235 N236 M498 | A229-K233 PolarHBondContact O-N 3.12Å; M230-K233 PolarHBondContact O-N 3.41Å; K233-N235 VanDerWaalsContact C-N 3.33Å; K233-N235 PolarHBondContact O-N 2.83Å; K233-N236 PolarHBondContact O-N 3.04Å; K233-M498 HydrophobicContact CD-SD 3.92Å |
| 234 | T | 70.3 | Confident | 64.8 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 55% | 0.546 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -36 | 178.6 | -50.5 | 0 | 0 | 0 | 0 | 112.1 | M230 L231 R232 N236 | M230-T234 PolarHBondContact O-N 2.66Å; M230-T234 PolarHBondContact O-OG1 3.1Å; L231-T234 PolarHBondContact O-N 2.82Å; R232-T234 VanDerWaalsContact C-N 3.35Å; T234-N236 VanDerWaalsContact C-N 3.34Å |
| 235 | N | 61 | Low | 62.4 | Low | 138 Ų | 138 | 105.6 Ų | 105.6 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.7 | -24 | 176.1 | -71.9 | -16.5 | 0 | 0 | 0 | 113.4 | L231 R232 K233 | L231-N235 PolarHBondContact O-N 3.49Å; R232-N235 PolarHBondContact O-N 3.14Å; K233-N235 VanDerWaalsContact C-N 3.33Å; K233-N235 PolarHBondContact O-N 2.83Å |
| 236 | N | 58 | Low | 59.9 | Low | 133 Ų | 133 | 112.4 Ų | 112.4 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 29.1 | -176.4 | -78.3 | -5.2 | 0 | 0 | 0 | 113.4 | R232 K233 T234 G238 | R232-N236 PolarHBondContact O-N 3.38Å; K233-N236 PolarHBondContact O-N 3.04Å; T234-N236 VanDerWaalsContact C-N 3.34Å; N236-G238 PolarHBondContact O-N 3.07Å |
| 237 | N | 44.1 | Very low | 57.6 | Low | 143 Ų | 143 | 118.3 Ų | 118.3 | 77% | 0.765 | 61% | 0.607 | S | S | * | * | trans | -62.5 | 78.1 | 174.6 | -84.8 | -9 | 0 | 0 | 0 | 111.8 | ||||
| 238 | G | 41.8 | Very low | 55.3 | Low | 56 Ų | 56 | 118.1 Ų | 118.1 | 58% | 0.577 | 61% | 0.611 | S | S | * | * | trans | -93.2 | 141.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | N236 N240 | N236-G238 PolarHBondContact O-N 3.07Å; G238-N240 PolarHBondContact O-N 3.42Å; G238-N240 VanDerWaalsContact O-N 3.17Å | ||
| 239 | N | 34 | Very low | 53.1 | Low | 162 Ų | 162 | 120.3 Ų | 120.3 | 87% | 0.866 | 62% | 0.623 | S | S | * | * | trans | -58.5 | 115.8 | 178.2 | -74.9 | -23.1 | 0 | 0 | 0 | 110.5 | ||||
| 240 | N | 41.7 | Very low | 51.7 | Low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 63% | 0.634 | S | S | * | * | trans | -83.3 | 110.1 | 163 | -82.4 | -10.4 | 0 | 0 | 0 | 108.1 | G238 N242 | G238-N240 PolarHBondContact O-N 3.42Å; G238-N240 VanDerWaalsContact O-N 3.17Å; N240-N242 PolarHBondContact O-N 3.33Å | ||
| 241 | D | 33.5 | Very low | 50.4 | Low | 148 Ų | 148 | 127 Ų | 127 | 79% | 0.791 | 65% | 0.648 | S | S | * | * | trans | -68.5 | 126.6 | 168.3 | -81.6 | -30.9 | 0 | 0 | 0 | 109.7 | Q243 | D241-Q243 PolarHBondContact O-N 3.26Š| ||
| 242 | N | 36.1 | Very low | 50 | Low | 165 Ų | 165 | 125 Ų | 125 | 88% | 0.882 | 64% | 0.643 | S | S | * | * | trans | -69.4 | 92 | 171.7 | -72.5 | -31 | 0 | 0 | 0 | 109.3 | N240 | N240-N242 PolarHBondContact O-N 3.33Š| ||
| 243 | Q | 36.9 | Very low | 50.3 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 131.1 | 164.7 | -76.7 | -173.9 | -5.7 | 0 | 0 | 109.9 | D241 N429 | D241-Q243 PolarHBondContact O-N 3.26Å; Q243-N429 PolarHBondContact OE1-ND2 3.12Å |
| 244 | K | 35.1 | Very low | 50.9 | Low | 202 Ų | 202 | 116.6 Ų | 116.6 | 88% | 0.878 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 133.6 | 167.5 | -81 | -178.2 | 173.2 | -178.4 | 0 | 109.1 | ||
| 245 | Y | 43.4 | Very low | 51.7 | Low | 98 Ų | 98 | 117.9 Ų | 117.9 | 38% | 0.384 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -82.2 | 121.7 | 174.3 | -62.6 | -78.6 | 0 | 0 | 0 | 109.8 | N262 I427 S568 | Y245-N262 VanDerWaalsContact CD1-OD1 3.31Å; Y245-N262 WeakPolarHBondContact CD1-OD1 3.25Å; Y245-N262 WeakPolarHBondContact CE1-OD1 3.27Å; Y245-I427 HydrophobicContact CE1-CG2 4.46Å; Y245-S568 PolarHBondContact OH-OG 3.12Å |
| 246 | D | 40.6 | Very low | 53.2 | Low | 164 Ų | 164 | 112 Ų | 112 | 88% | 0.877 | 58% | 0.583 | S | S | * | * | trans | -85 | 111.2 | 161.2 | -85.9 | -26.4 | 0 | 0 | 0 | 107.7 | C248 | D246-C248 PolarHBondContact O-N 3.17Å; D246-C248 VanDerWaalsContact O-N 3.15Å | ||
| 247 | E | 44.8 | Very low | 54.9 | Low | 152 Ų | 152 | 105.6 Ų | 105.6 | 71% | 0.71 | 55% | 0.549 | S | S | * | . | trans | -66 | 109.8 | 163 | -76.4 | -172.7 | 149.8 | 0 | 0 | 107.9 | D249 | E247-D249 PolarHBondContact O-N 3.02Å; E247-D249 VanDerWaalsContact O-N 3.1Å | ||
| 248 | C | 42.2 | Very low | 57.2 | Low | 75 Ų | 75 | 101.4 Ų | 101.4 | 51% | 0.507 | 52% | 0.523 | S | S | . | . | trans | -68.8 | 109.4 | 167.9 | -168.1 | 0 | 0 | 0 | 0 | 108.1 | D246 R250 | D246-C248 PolarHBondContact O-N 3.17Å; D246-C248 VanDerWaalsContact O-N 3.15Å; C248-R250 PolarHBondContact O-N 2.92Å | ||
| 249 | D | 42.4 | Very low | 59.5 | Low | 126 Ų | 126 | 99.8 Ų | 99.8 | 67% | 0.674 | 50% | 0.503 | S | S | * | . | trans | -72 | 73.2 | -177.2 | -148.4 | 5.1 | 0 | 0 | 0 | 110.6 | E247 K251 | E247-D249 PolarHBondContact O-N 3.02Å; E247-D249 VanDerWaalsContact O-N 3.1Å; D249-K251 PolarHBondContact O-N 2.91Å; D249-K251 VanDerWaalsContact O-N 3.13Å | ||
| 250 | R | 57.3 | Low | 62.1 | Low | 63 Ų | 63 | 92.1 Ų | 92.1 | 24% | 0.238 | 46% | 0.462 | C | S | . | . | trans | -81.4 | 89 | 177.3 | -70.7 | -171.2 | -177.6 | 175.7 | -1.5 | 109.7 | C248 S252 I253 Y388 G389 D390 | C248-R250 PolarHBondContact O-N 2.92Å; R250-S252 PolarHBondContact O-N 2.79Å; R250-I253 HydrophobicContact CB-CG2 4.31Å; R250-I253 WeakPolarHBondContact O-CG2 3.48Å; R250-I253 PolarHBondContact O-N 2.9Å; R250-Y388 HydrophobicContact CB-CE1 4.25Å; R250-Y388 HydrophobicContact CG-CE1 4.45Å; R250-Y388 VanDerWaalsContact NH1-CE1 3.3Å; R250-G389 PolarHBondContact NH1-O 2.85Å; R250-G389 VanDerWaalsContact NH1-O 3.11Å; R250-G389 PolarHBondContact NH2-O 2.87Å; R250-D390 IonicContact CZ-OD1 3.67Å; R250-D390 IonicContact NH2-OD1 2.62Å; R250-D390 PolarHBondContact NH2-OD1 2.9Å | ||
| 251 | K | 58.5 | Low | 64.1 | Low | 165 Ų | 165 | 85.9 Ų | 85.9 | 72% | 0.717 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -22.7 | -177.3 | -70 | -176.7 | 178.2 | 178.5 | 0 | 116 | D249 | D249-K251 PolarHBondContact O-N 2.91Å; D249-K251 VanDerWaalsContact O-N 3.13Å |
| 252 | S | 76 | Confident | 66.4 | Low | 58 Ų | 58 | 79.7 Ų | 79.7 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -44.4 | -177.7 | -157.4 | 0 | 0 | 0 | 0 | 113.8 | R250 N254 N255 N298 | R250-S252 PolarHBondContact O-N 2.79Å; S252-N254 PolarHBondContact O-N 2.7Å; S252-N255 WeakPolarHBondContact O-CB 3.07Å; S252-N255 PolarHBondContact O-N 3.29Å; S252-N255 PolarHBondContact O-ND2 2.85Å; S252-N298 PolarHBondContact OG-OD1 3.34Å |
| 253 | I | 86.3 | Confident | 68.9 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -73 | -30.7 | -174.5 | -171.7 | 159.5 | 0 | 0 | 0 | 112.7 | R250 N255 F256 A257 Y265 I300 Y388 | R250-I253 HydrophobicContact CB-CG2 4.31Å; R250-I253 WeakPolarHBondContact O-CG2 3.48Å; R250-I253 PolarHBondContact O-N 2.9Å; I253-N255 PolarHBondContact O-N 2.91Å; I253-F256 HydrophobicContact CB-CE1 4.36Å; I253-F256 HydrophobicContact CB-CZ 4.37Å; I253-F256 HydrophobicContact CD1-CZ 4.37Å; I253-F256 HydrophobicContact CG1-CE1 4.17Å; I253-F256 HydrophobicContact CG1-CE2 4.2Å; I253-F256 HydrophobicContact CG1-CZ 3.78Å; I253-F256 PolarHBondContact O-N 2.8Å; I253-A257 HydrophobicContact CG1-CB 3.97Å; I253-A257 PolarHBondContact O-N 2.95Å; I253-Y265 HydrophobicContact CD1-CD1 3.94Å; I253-Y265 HydrophobicContact CD1-CD2 3.82Å; I253-Y265 HydrophobicContact CD1-CE1 4.36Å; I253-Y265 HydrophobicContact CD1-CE2 4.26Å; I253-Y265 HydrophobicContact CD1-CG 3.66Å; I253-Y265 HydrophobicContact CG1-CD1 4.03Å; I253-Y265 HydrophobicContact CG1-CE1 4.39Å; I253-Y265 HydrophobicContact CG1-CG 4.24Å; I253-Y265 HydrophobicContact CG2-CD1 4.05Å; I253-Y265 HydrophobicContact CG2-CE1 3.55Å; I253-I300 HydrophobicContact CD1-CD1 4.17Å; I253-Y388 HydrophobicContact CB-CD1 4.01Å; I253-Y388 HydrophobicContact CB-CE1 3.95Å; I253-Y388 VanDerWaalsContact CD1-CB 3.49Å; I253-Y388 HydrophobicContact CD1-CD1 3.44Å; I253-Y388 VanDerWaalsContact CD1-CD1 3.44Å; I253-Y388 HydrophobicContact CD1-CD2 4.16Å; I253-Y388 HydrophobicContact CD1-CE1 4.14Å; I253-Y388 HydrophobicContact CD1-CG 3.44Å; I253-Y388 VanDerWaalsContact CD1-CG 3.44Å; I253-Y388 HydrophobicContact CG1-CD1 4.32Å; I253-Y388 HydrophobicContact CG2-CD1 3.91Å; I253-Y388 HydrophobicContact CG2-CE1 3.98Å |
| 254 | N | 85.2 | Confident | 71.5 | Confident | 51 Ų | 51 | 67 Ų | 67 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -62.6 | -12.4 | 177.8 | -70.7 | -22.2 | 0 | 0 | 0 | 113.6 | S252 F256 A257 T616 | S252-N254 PolarHBondContact O-N 2.7Å; N254-F256 VanDerWaalsContact C-N 3.3Å; N254-A257 WeakPolarHBondContact CA-O 3.31Å; N254-T616 WeakPolarHBondContact O-CB 3.35Å; N254-T616 PolarHBondContact O-OG1 3.13Å |
| 255 | N | 87.9 | Confident | 74.3 | Confident | 116 Ų | 116 | 58.2 Ų | 58.2 | 62% | 0.62 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -74.6 | -16.1 | 174.4 | -66.2 | -27.5 | 0 | 0 | 0 | 113.8 | S252 I253 T616 | S252-N255 WeakPolarHBondContact O-CB 3.07Å; S252-N255 PolarHBondContact O-N 3.29Å; S252-N255 PolarHBondContact O-ND2 2.85Å; I253-N255 PolarHBondContact O-N 2.91Å; N255-T616 WeakPolarHBondContact O-CG2 3.33Å |
| 256 | F | 91.9 | Very high | 76.8 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | -2.4 | -178.4 | 66.3 | -88.7 | 0 | 0 | 0 | 113.9 | I253 N254 T267 S268 V294 F295 N298 I300 | I253-F256 HydrophobicContact CB-CE1 4.36Å; I253-F256 HydrophobicContact CB-CZ 4.37Å; I253-F256 HydrophobicContact CD1-CZ 4.37Å; I253-F256 HydrophobicContact CG1-CE1 4.17Å; I253-F256 HydrophobicContact CG1-CE2 4.2Å; I253-F256 HydrophobicContact CG1-CZ 3.78Å; I253-F256 PolarHBondContact O-N 2.8Å; N254-F256 VanDerWaalsContact C-N 3.3Å; F256-T267 HydrophobicContact CD2-CG2 4.49Å; F256-T267 CarbonylContact O-C 3.5Å; F256-T267 WeakPolarHBondContact O-CA 3.32Å; F256-S268 WeakPolarHBondContact O-CB 2.88Å; F256-S268 PolarHBondContact O-N 2.9Å; F256-S268 PolarHBondContact O-OG 2.8Å; F256-V294 HydrophobicContact CB-CG1 4.03Å; F256-V294 HydrophobicContact CD1-CG1 3.78Å; F256-V294 HydrophobicContact CD2-CG1 3.61Å; F256-V294 HydrophobicContact CE1-CG1 4.1Å; F256-V294 HydrophobicContact CE2-CG1 3.94Å; F256-V294 HydrophobicContact CG-CG1 3.52Å; F256-V294 HydrophobicContact CZ-CG1 4.17Å; F256-F295 HydrophobicContact CE2-CE2 4.48Å; F256-N298 HydrophobicContact CE1-CB 4.06Å; F256-N298 VanDerWaalsContact CE1-ND2 3.32Å; F256-N298 WeakPolarHBondContact CE1-ND2 3.31Å; F256-N298 HydrophobicContact CZ-CB 4.05Å; F256-I300 HydrophobicContact CE2-CD1 4.08Å; F256-I300 HydrophobicContact CZ-CD1 3.7Å |
| 257 | A | 93.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 162.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I253 N254 V266 T267 T616 | I253-A257 HydrophobicContact CG1-CB 3.97Å; I253-A257 PolarHBondContact O-N 2.95Å; N254-A257 WeakPolarHBondContact CA-O 3.31Å; A257-V266 CarbonylContact C-O 3.57Å; A257-V266 WeakPolarHBondContact CA-O 3.27Å; A257-V266 WeakPolarHBondContact CB-O 3.37Å; A257-T267 HydrophobicContact CB-CG2 4.31Å; A257-T616 CarbonylContact C-O 3.6Å; A257-T616 VanDerWaalsContact CA-O 3.24Å; A257-T616 WeakPolarHBondContact CA-O 3.46Å; A257-T616 PolarHBondContact N-O 3.27Å |
| 258 | R | 92.4 | Very high | 81.8 | Confident | 54 Ų | 54 | 39.9 Ų | 39.9 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.7 | 175.7 | -71.7 | -73.1 | 162.5 | 164.2 | -3.1 | 111.5 | Y265 V266 S588 T590 F591 T616 | R258-Y265 CarbonylContact O-C 3.47Å; R258-Y265 VanDerWaalsContact O-CA 3.25Å; R258-Y265 WeakPolarHBondContact O-CA 3.02Å; R258-V266 PolarHBondContact N-O 2.74Å; R258-V266 PolarHBondContact O-N 3.21Å; R258-S588 PolarHBondContact NH1-O 3.1Å; R258-T590 WeakPolarHBondContact CG-O 3.36Å; R258-F591 HydrophobicContact CB-CB 3.69Å; R258-T616 VanDerWaalsContact CG-O 3.31Å; R258-T616 WeakPolarHBondContact CG-O 3.35Å; R258-T616 PolarHBondContact N-O 2.65Å; R258-T616 PolarHBondContact NE-OG1 2.92Å; R258-T616 VanDerWaalsContact NE-OG1 3.13Å; R258-T616 PolarHBondContact NH2-OG1 3.2Å |
| 259 | S | 89.3 | Confident | 84.3 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 16% | 0.161 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 135.3 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 112 | G261 | S259-G261 PolarHBondContact OG-N 3.13Å |
| 260 | L | 88.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -3.3 | 164.1 | -165.1 | 71.6 | 0 | 0 | 0 | 111.2 | M264 F443 F445 F501 F591 V637 | L260-M264 HydrophobicContact CB-CB 3.96Å; L260-M264 HydrophobicContact CD2-CB 4.25Å; L260-M264 PolarHBondContact N-O 3.23Å; L260-F443 HydrophobicContact CD2-CE1 4.28Å; L260-F443 HydrophobicContact CD2-CZ 4.42Å; L260-F443 HydrophobicContact CG-CZ 4.38Å; L260-F445 HydrophobicContact CD2-CE1 3.92Å; L260-F445 HydrophobicContact CD2-CZ 4.07Å; L260-F501 HydrophobicContact CD1-CE1 3.71Å; L260-F501 HydrophobicContact CD1-CZ 4.22Å; L260-F501 HydrophobicContact CD2-CE1 4.47Å; L260-F501 HydrophobicContact CG-CE1 4.08Å; L260-F501 HydrophobicContact CG-CZ 4.47Å; L260-F591 HydrophobicContact CD1-CD1 4.01Å; L260-F591 HydrophobicContact CD1-CD2 3.66Å; L260-F591 HydrophobicContact CD1-CE1 3.69Å; L260-F591 HydrophobicContact CD1-CE2 3.33Å; L260-F591 HydrophobicContact CD1-CG 3.99Å; L260-F591 HydrophobicContact CD1-CZ 3.34Å; L260-V637 HydrophobicContact CD1-CG2 3.88Å; L260-V637 HydrophobicContact CG-CG2 4.44Å |
| 261 | G | 84.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 93.2 | 160.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S259 G263 M264 | S259-G261 PolarHBondContact OG-N 3.13Å; G261-G263 VanDerWaalsContact C-N 3.31Å; G261-G263 PolarHBondContact O-N 3.27Å; G261-M264 WeakPolarHBondContact O-CB 3.27Å; G261-M264 PolarHBondContact O-N 2.85Å |
| 262 | N | 81.7 | Confident | 90.6 | Very high | 19 Ų | 19 | 25.9 Ų | 25.9 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 39.4 | 175.1 | -59.8 | -40.6 | 0 | 0 | 0 | 115.1 | Y245 M264 I427 F443 | Y245-N262 VanDerWaalsContact CD1-OD1 3.31Å; Y245-N262 WeakPolarHBondContact CD1-OD1 3.25Å; Y245-N262 WeakPolarHBondContact CE1-OD1 3.27Å; N262-M264 PolarHBondContact O-N 2.88Å; N262-I427 HydrophobicContact CB-CG2 4.05Å; N262-I427 VanDerWaalsContact CG-CG2 3.46Å; N262-F443 HydrophobicContact CB-CE2 4.16Å |
| 263 | G | 87.3 | Confident | 91.4 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 16% | 0.155 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 3.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G261 Y265 Y387 Y388 | G261-G263 VanDerWaalsContact C-N 3.31Å; G261-G263 PolarHBondContact O-N 3.27Å; G263-Y265 VanDerWaalsContact O-CD2 3.28Å; G263-Y265 WeakPolarHBondContact O-CD2 3.34Å; G263-Y387 CarbonylContact O-C 3.54Å; G263-Y387 WeakPolarHBondContact O-CA 3.24Å; G263-Y388 PolarHBondContact O-N 3.16Å |
| 264 | M | 91.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135.4 | 174.5 | -63.2 | -53.1 | -64.1 | 0 | 0 | 110.5 | L260 G261 N262 V306 I385 V386 Y387 V425 F443 F445 | L260-M264 HydrophobicContact CB-CB 3.96Å; L260-M264 HydrophobicContact CD2-CB 4.25Å; L260-M264 PolarHBondContact N-O 3.23Å; G261-M264 WeakPolarHBondContact O-CB 3.27Å; G261-M264 PolarHBondContact O-N 2.85Å; N262-M264 PolarHBondContact O-N 2.88Å; M264-V306 HydrophobicContact CE-CB 4.01Å; M264-V306 HydrophobicContact CE-CG1 4.44Å; M264-V306 HydrophobicContact CE-CG2 3.66Å; M264-I385 HydrophobicContact CE-CG2 3.68Å; M264-V386 CarbonylContact C-O 3.54Å; M264-V386 WeakPolarHBondContact CA-O 3.48Å; M264-Y387 HydrophobicContact SD-CD2 3.88Å; M264-Y387 HydrophobicContact SD-CG 4.4Å; M264-V425 HydrophobicContact CE-CG2 4.45Å; M264-V425 HydrophobicContact SD-CG1 3.98Å; M264-V425 HydrophobicContact SD-CG2 4.48Å; M264-F443 HydrophobicContact CG-CD2 4.09Å; M264-F443 HydrophobicContact CG-CE2 4.49Å; M264-F445 HydrophobicContact CE-CE1 4.45Å; M264-F445 HydrophobicContact CE-CE2 3.6Å; M264-F445 HydrophobicContact CE-CZ 3.49Å; M264-F445 VanDerWaalsContact CE-CZ 3.49Å; M264-F445 HydrophobicContact CG-CZ 4.28Å |
| 265 | Y | 94 | Very high | 91.9 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.7 | -179.6 | -67.1 | -100.7 | 0 | 0 | 0 | 110.9 | I253 R258 G263 I385 V386 Y388 | I253-Y265 HydrophobicContact CD1-CD1 3.94Å; I253-Y265 HydrophobicContact CD1-CD2 3.82Å; I253-Y265 HydrophobicContact CD1-CE1 4.36Å; I253-Y265 HydrophobicContact CD1-CE2 4.26Å; I253-Y265 HydrophobicContact CD1-CG 3.66Å; I253-Y265 HydrophobicContact CG1-CD1 4.03Å; I253-Y265 HydrophobicContact CG1-CE1 4.39Å; I253-Y265 HydrophobicContact CG1-CG 4.24Å; I253-Y265 HydrophobicContact CG2-CD1 4.05Å; I253-Y265 HydrophobicContact CG2-CE1 3.55Å; R258-Y265 CarbonylContact O-C 3.47Å; R258-Y265 VanDerWaalsContact O-CA 3.25Å; R258-Y265 WeakPolarHBondContact O-CA 3.02Å; G263-Y265 VanDerWaalsContact O-CD2 3.28Å; G263-Y265 WeakPolarHBondContact O-CD2 3.34Å; Y265-I385 CarbonylContact O-C 3.57Å; Y265-I385 VanDerWaalsContact O-CA 3.27Å; Y265-I385 WeakPolarHBondContact O-CA 3.36Å; Y265-V386 PolarHBondContact N-O 3.46Å; Y265-V386 PolarHBondContact O-N 2.88Å; Y265-Y388 HydrophobicContact CE2-CD1 4.3Å |
| 266 | V | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122 | 172.7 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | A257 R258 I385 F591 M592 F618 | A257-V266 CarbonylContact C-O 3.57Å; A257-V266 WeakPolarHBondContact CA-O 3.27Å; A257-V266 WeakPolarHBondContact CB-O 3.37Å; R258-V266 PolarHBondContact N-O 2.74Å; R258-V266 PolarHBondContact O-N 3.21Å; V266-I385 HydrophobicContact CG2-CD1 4.31Å; V266-I385 HydrophobicContact CG2-CG1 4.04Å; V266-I385 HydrophobicContact CG2-CG2 4.42Å; V266-F591 HydrophobicContact CB-CD2 4.35Å; V266-F591 HydrophobicContact CG2-CB 4.48Å; V266-F591 HydrophobicContact CG2-CD2 3.69Å; V266-F591 HydrophobicContact CG2-CE2 4.44Å; V266-F591 HydrophobicContact CG2-CG 4.46Å; V266-M592 HydrophobicContact CG1-CE 4.29Å; V266-F618 HydrophobicContact CG1-CB 3.73Å |
| 267 | T | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 162.1 | -179.1 | 72.5 | 0 | 0 | 0 | 0 | 112.1 | F256 A257 F295 A384 V386 F618 | F256-T267 HydrophobicContact CD2-CG2 4.49Å; F256-T267 CarbonylContact O-C 3.5Å; F256-T267 WeakPolarHBondContact O-CA 3.32Å; A257-T267 HydrophobicContact CB-CG2 4.31Å; T267-F295 HydrophobicContact CG2-CE2 4.02Å; T267-F295 HydrophobicContact CG2-CZ 4.04Å; T267-A384 HydrophobicContact CG2-CB 4.22Å; T267-A384 WeakPolarHBondContact CG2-O 3.4Å; T267-A384 PolarHBondContact N-O 3.13Å; T267-A384 PolarHBondContact OG1-N 3.04Å; T267-A384 PolarHBondContact OG1-O 2.85Å; T267-V386 HydrophobicContact CG2-CG1 4.41Å; T267-V386 HydrophobicContact CG2-CG2 4.48Å; T267-F618 PolarHBondContact O-N 3.38Å |
| 268 | S | 94.3 | Very high | 91.5 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 170.8 | 157.8 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | F256 S383 G617 | F256-S268 WeakPolarHBondContact O-CB 2.88Å; F256-S268 PolarHBondContact O-N 2.9Å; F256-S268 PolarHBondContact O-OG 2.8Å; S268-S383 PolarHBondContact O-OG 2.9Å; S268-G617 WeakPolarHBondContact CA-O 3.44Å |
| 269 | N | 95.2 | Very high | 91.5 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 10% | 0.096 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 129.8 | 175.4 | -58.8 | 87 | 0 | 0 | 0 | 110.9 | Y271 S381 S383 F618 M619 | N269-Y271 HydrophobicContact CB-CD2 4.38Å; N269-Y271 HydrophobicContact CB-CE1 3.95Å; N269-Y271 HydrophobicContact CB-CE2 3.54Å; N269-Y271 WeakPolarHBondContact CB-OH 3.21Å; N269-Y271 WeakPolarHBondContact O-CE2 3.4Å; N269-S381 WeakPolarHBondContact CB-OG 3.22Å; N269-S381 PolarHBondContact ND2-OG 3.01Å; N269-S383 VanDerWaalsContact CA-OG 3.27Å; N269-S383 WeakPolarHBondContact CA-OG 3.35Å; N269-S383 PolarHBondContact ND2-OG 3.45Å; N269-F618 WeakPolarHBondContact ND2-CD2 3.15Å; N269-F618 WeakPolarHBondContact ND2-CE2 3.24Å; N269-M619 PolarHBondContact ND2-O 2.8Å; N269-M619 VanDerWaalsContact ND2-O 3.13Å; N269-M619 PolarHBondContact OD1-N 2.56Å; N269-M619 PolarHBondContact OD1-O 2.87Å; N269-M619 VanDerWaalsContact OD1-O 3.08Å |
| 270 | Y | 97 | Very high | 91.8 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.5 | 168.9 | -57.4 | -82.6 | 0 | 0 | 0 | 108.2 | Q290 M291 V294 S381 L382 | Y270-Q290 HydrophobicContact CD1-CB 3.91Å; Y270-M291 HydrophobicContact CD1-CB 4.12Å; Y270-M291 HydrophobicContact CD2-CB 3.72Å; Y270-M291 HydrophobicContact CD2-CE 3.37Å; Y270-M291 HydrophobicContact CD2-CG 3.9Å; Y270-M291 HydrophobicContact CE1-CB 4.34Å; Y270-M291 HydrophobicContact CE2-CB 3.97Å; Y270-M291 HydrophobicContact CE2-CE 3.67Å; Y270-M291 HydrophobicContact CE2-CG 3.74Å; Y270-M291 HydrophobicContact CG-CB 3.79Å; Y270-M291 HydrophobicContact CG-CE 4.39Å; Y270-M291 HydrophobicContact CG-CG 4.46Å; Y270-V294 HydrophobicContact CE1-CB 4.04Å; Y270-V294 HydrophobicContact CE1-CG2 3.76Å; Y270-V294 WeakPolarHBondContact OH-CG1 3.36Å; Y270-S381 CarbonylContact O-C 3.54Å; Y270-S381 WeakPolarHBondContact O-CA 3.26Å; Y270-L382 WeakPolarHBondContact CD2-O 3.43Å; Y270-L382 PolarHBondContact N-O 3.5Å; Y270-L382 PolarHBondContact O-N 3.31Å |
| 271 | Y | 95.5 | Very high | 92.1 | Very high | 104 Ų | 104 | 43.3 Ų | 43.3 | 41% | 0.408 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.1 | -167.9 | -62 | -82.5 | 0 | 0 | 0 | 111 | N269 Q290 T379 I380 | N269-Y271 HydrophobicContact CB-CD2 4.38Å; N269-Y271 HydrophobicContact CB-CE1 3.95Å; N269-Y271 HydrophobicContact CB-CE2 3.54Å; N269-Y271 WeakPolarHBondContact CB-OH 3.21Å; N269-Y271 WeakPolarHBondContact O-CE2 3.4Å; Y271-Q290 VanDerWaalsContact O-CD 3.26Å; Y271-Q290 PolarHBondContact O-NE2 3.01Å; Y271-Q290 PolarHBondContact O-OE1 3.44Å; Y271-T379 HydrophobicContact CD1-CG2 3.64Å; Y271-T379 HydrophobicContact CE1-CG2 4.48Å; Y271-T379 HydrophobicContact CG-CG2 4.4Å; Y271-I380 CarbonylContact C-O 3.53Å; Y271-I380 VanDerWaalsContact CA-O 3.27Å; Y271-I380 WeakPolarHBondContact CA-O 3.08Å |
| 272 | G | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A283 D286 T379 I380 | G272-A283 VanDerWaalsContact CA-O 3.32Å; G272-A283 WeakPolarHBondContact CA-O 3.34Å; G272-D286 WeakPolarHBondContact CA-OD2 3.43Å; G272-T379 CarbonylContact O-C 2.98Å; G272-T379 WeakPolarHBondContact O-CA 3.34Å; G272-I380 PolarHBondContact N-O 3.07Å; G272-I380 PolarHBondContact O-N 2.93Å |
| 273 | T | 94.5 | Very high | 93.4 | Very high | 98 Ų | 98 | 47.2 Ų | 47.2 | 60% | 0.601 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.2 | -174.6 | 57.2 | 0 | 0 | 0 | 0 | 110 | F378 T379 | T273-F378 WeakPolarHBondContact CA-O 3.38Å; T273-T379 HydrophobicContact CG2-CG2 4.29Å |
| 274 | G | 91.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 158.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E279 A377 F378 | G274-E279 WeakPolarHBondContact CA-OE2 3.11Å; G274-A377 CarbonylContact O-C 3.59Å; G274-A377 VanDerWaalsContact O-CA 3.31Å; G274-A377 WeakPolarHBondContact O-CA 3.34Å; G274-F378 VanDerWaalsContact C-CE1 3.42Å; G274-F378 VanDerWaalsContact CA-CE1 3.4Å; G274-F378 PolarHBondContact N-O 3.05Å; G274-F378 VanDerWaalsContact N-O 3.09Å; G274-F378 VanDerWaalsContact O-CD1 3.3Å; G274-F378 WeakPolarHBondContact O-CD1 3.39Å; G274-F378 WeakPolarHBondContact O-CE1 3.11Å; G274-F378 PolarHBondContact O-N 3.48Å |
| 275 | E | 90 | Very high | 94.1 | Very high | 138 Ų | 138 | 49.9 Ų | 49.9 | 65% | 0.645 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -98.5 | -8.3 | 176.1 | -66.5 | -172.5 | 177.3 | 0 | 0 | 112.5 | E279 E376 | E275-E279 PolarHBondContact N-OE2 2.89Å; E275-E376 CarbonylContact C-O 3.18Å; E275-E376 WeakPolarHBondContact CA-O 3.23Å; E275-E376 CarbonylContact O-C 3.58Å; E275-E376 WeakPolarHBondContact O-CB 3.25Å |
| 276 | K | 89.2 | Confident | 94.3 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 45% | 0.452 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -146.1 | 149.3 | 179.2 | -65.2 | 177.8 | -179.6 | 165.2 | 0 | 111.8 | D278 E279 F378 | K276-D278 PolarHBondContact O-N 3.23Å; K276-E279 HydrophobicContact CB-CG 4.25Å; K276-E279 WeakPolarHBondContact O-CA 3.13Å; K276-E279 VanDerWaalsContact O-CB 3.29Å; K276-E279 WeakPolarHBondContact O-CB 3.35Å; K276-E279 PolarHBondContact O-N 2.92Å; K276-F378 WeakPolarHBondContact O-CE1 3.28Å |
| 277 | V | 85.4 | Confident | 94.4 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -51.9 | -34.6 | 177.7 | 174.7 | 0 | 0 | 0 | 0 | 113 | E279 I280 Q314 V320 | V277-E279 PolarHBondContact O-N 2.87Å; V277-I280 HydrophobicContact CG1-CD1 3.84Å; V277-I280 WeakPolarHBondContact O-CB 3.2Å; V277-I280 WeakPolarHBondContact O-CD1 3.47Å; V277-I280 WeakPolarHBondContact O-CG1 3.26Å; V277-I280 PolarHBondContact O-N 3.37Å; V277-Q314 HydrophobicContact CG2-CG 4.46Å; V277-V320 HydrophobicContact CG1-CG2 3.76Å |
| 278 | D | 89.7 | Confident | 94.4 | Very high | 143 Ų | 143 | 52.3 Ų | 52.3 | 77% | 0.765 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -66.3 | -18.7 | 177.6 | -64.3 | -22.6 | 0 | 0 | 0 | 113.5 | K276 I280 | K276-D278 PolarHBondContact O-N 3.23Å; D278-I280 VanDerWaalsContact C-N 3.3Å; D278-I280 PolarHBondContact O-N 3.14Å |
| 279 | E | 94.2 | Very high | 94.6 | Very high | 65 Ų | 65 | 53 Ų | 53 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -86.9 | 5.9 | 178.7 | -59.3 | 173.5 | -173.4 | 0 | 0 | 112.9 | G274 E275 K276 V277 Y281 E282 A283 F378 | G274-E279 WeakPolarHBondContact CA-OE2 3.11Å; E275-E279 PolarHBondContact N-OE2 2.89Å; K276-E279 HydrophobicContact CB-CG 4.25Å; K276-E279 WeakPolarHBondContact O-CA 3.13Å; K276-E279 VanDerWaalsContact O-CB 3.29Å; K276-E279 WeakPolarHBondContact O-CB 3.35Å; K276-E279 PolarHBondContact O-N 2.92Å; V277-E279 PolarHBondContact O-N 2.87Å; E279-Y281 PolarHBondContact O-N 3.19Å; E279-E282 VanDerWaalsContact CA-OE2 3.3Å; E279-E282 WeakPolarHBondContact CA-OE2 3.13Å; E279-E282 PolarHBondContact O-N 3.02Å; E279-A283 WeakPolarHBondContact O-CB 3.41Å; E279-A283 PolarHBondContact O-N 2.67Å; E279-F378 HydrophobicContact CB-CE1 4.44Å; E279-F378 HydrophobicContact CB-CZ 4.34Å |
| 280 | I | 94.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57 | -35.8 | 178.2 | -78.6 | 166.9 | 0 | 0 | 0 | 111.3 | V277 D278 T284 V320 F324 F378 I380 | V277-I280 HydrophobicContact CG1-CD1 3.84Å; V277-I280 WeakPolarHBondContact O-CB 3.2Å; V277-I280 WeakPolarHBondContact O-CD1 3.47Å; V277-I280 WeakPolarHBondContact O-CG1 3.26Å; V277-I280 PolarHBondContact O-N 3.37Å; D278-I280 VanDerWaalsContact C-N 3.3Å; D278-I280 PolarHBondContact O-N 3.14Å; I280-T284 WeakPolarHBondContact O-CB 3.44Å; I280-T284 PolarHBondContact O-N 2.91Å; I280-T284 PolarHBondContact O-OG1 3.04Å; I280-V320 HydrophobicContact CD1-CB 3.99Å; I280-V320 HydrophobicContact CD1-CG1 3.72Å; I280-V320 HydrophobicContact CD1-CG2 3.75Å; I280-F324 HydrophobicContact CG2-CB 3.88Å; I280-F378 HydrophobicContact CB-CE2 4.41Å; I280-F378 HydrophobicContact CB-CZ 4.35Å; I280-F378 HydrophobicContact CG1-CD2 4.39Å; I280-F378 HydrophobicContact CG1-CE1 4.38Å; I280-F378 HydrophobicContact CG1-CE2 3.65Å; I280-F378 HydrophobicContact CG1-CZ 3.66Å; I280-I380 HydrophobicContact CG2-CD1 4.22Å |
| 281 | Y | 95.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.5 | -51.2 | 180 | -167.8 | -75.7 | 0 | 0 | 0 | 110.8 | E279 T284 E285 E326 A327 | E279-Y281 PolarHBondContact O-N 3.19Å; Y281-T284 WeakPolarHBondContact O-CB 3.37Å; Y281-T284 PolarHBondContact O-N 3.41Å; Y281-E285 PolarHBondContact O-N 2.94Å; Y281-E326 HydrophobicContact CE2-CG 4.42Å; Y281-A327 HydrophobicContact CD1-CB 4.34Å; Y281-A327 HydrophobicContact CD2-CB 3.45Å; Y281-A327 VanDerWaalsContact CD2-CB 3.45Å; Y281-A327 HydrophobicContact CE2-CB 3.74Å; Y281-A327 HydrophobicContact CG-CB 3.77Å |
| 282 | E | 96.5 | Very high | 94.7 | Very high | 108 Ų | 108 | 51.3 Ų | 51.3 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 179 | -66.8 | 83.6 | 170.4 | 0 | 0 | 111.8 | E279 T284 E285 D286 | E279-E282 VanDerWaalsContact CA-OE2 3.3Å; E279-E282 WeakPolarHBondContact CA-OE2 3.13Å; E279-E282 PolarHBondContact O-N 3.02Å; E282-T284 VanDerWaalsContact C-N 3.28Å; E282-T284 PolarHBondContact O-N 3.42Å; E282-E285 WeakPolarHBondContact O-CB 3.46Å; E282-E285 PolarHBondContact O-N 3.24Å; E282-D286 PolarHBondContact O-N 3.42Å |
| 283 | A | 96.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G272 E279 A287 F378 I380 | G272-A283 VanDerWaalsContact CA-O 3.32Å; G272-A283 WeakPolarHBondContact CA-O 3.34Å; E279-A283 WeakPolarHBondContact O-CB 3.41Å; E279-A283 PolarHBondContact O-N 2.67Å; A283-A287 PolarHBondContact O-N 3.39Å; A283-F378 HydrophobicContact CB-CE2 3.68Å; A283-F378 HydrophobicContact CB-CZ 3.89Å; A283-I380 HydrophobicContact CB-CD1 3.94Å; A283-I380 HydrophobicContact CB-CG1 4.27Å |
| 284 | T | 97.2 | Very high | 94.7 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | I280 Y281 E282 A287 F288 F324 A327 I380 | I280-T284 WeakPolarHBondContact O-CB 3.44Å; I280-T284 PolarHBondContact O-N 2.91Å; I280-T284 PolarHBondContact O-OG1 3.04Å; Y281-T284 WeakPolarHBondContact O-CB 3.37Å; Y281-T284 PolarHBondContact O-N 3.41Å; E282-T284 VanDerWaalsContact C-N 3.28Å; E282-T284 PolarHBondContact O-N 3.42Å; T284-A287 PolarHBondContact O-N 2.94Å; T284-F288 HydrophobicContact CG2-CD2 3.94Å; T284-F288 HydrophobicContact CG2-CE2 3.96Å; T284-F288 WeakPolarHBondContact O-CD2 3.39Å; T284-F288 PolarHBondContact O-N 3.12Å; T284-F288 VanDerWaalsContact O-N 3.13Å; T284-F324 HydrophobicContact CG2-CD2 4.14Å; T284-F324 HydrophobicContact CG2-CE2 3.94Å; T284-F324 WeakPolarHBondContact OG1-CD2 3.33Å; T284-A327 HydrophobicContact CG2-CB 3.83Å; T284-I380 WeakPolarHBondContact OG1-CD1 3.13Å |
| 285 | E | 97.4 | Very high | 94.9 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 176.5 | 176.4 | 159.1 | -135.1 | 0 | 0 | 112.6 | Y281 E282 A287 F288 S289 Q331 | Y281-E285 PolarHBondContact O-N 2.94Å; E282-E285 WeakPolarHBondContact O-CB 3.46Å; E282-E285 PolarHBondContact O-N 3.24Å; E285-A287 PolarHBondContact O-N 2.82Å; E285-F288 CarbonylContact O-C 3.54Å; E285-F288 PolarHBondContact O-N 2.71Å; E285-F288 VanDerWaalsContact O-N 3.16Å; E285-S289 PolarHBondContact O-N 3.02Å; E285-S289 PolarHBondContact O-OG 3.48Å; E285-Q331 HydrophobicContact CB-CG 4.47Å; E285-Q331 PolarHBondContact OE1-NE2 2.74Å |
| 286 | D | 97.8 | Very high | 95 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 178.5 | -178.9 | 38.5 | 0 | 0 | 0 | 112.4 | G272 E282 F288 S289 Q290 | G272-D286 WeakPolarHBondContact CA-OD2 3.43Å; E282-D286 PolarHBondContact O-N 3.42Å; D286-F288 VanDerWaalsContact C-N 3.31Å; D286-F288 PolarHBondContact O-N 2.79Å; D286-S289 PolarHBondContact O-N 3.28Å; D286-S289 VanDerWaalsContact O-N 3.16Å; D286-Q290 WeakPolarHBondContact O-CG 3.11Å; D286-Q290 PolarHBondContact O-N 3.31Å; D286-Q290 PolarHBondContact OD1-NE2 2.92Å; D286-Q290 PolarHBondContact OD2-NE2 2.86Å; D286-Q290 VanDerWaalsContact OD2-NE2 3.16Å |
| 287 | A | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A283 T284 E285 M291 L382 | A283-A287 PolarHBondContact O-N 3.39Å; T284-A287 PolarHBondContact O-N 2.94Å; E285-A287 PolarHBondContact O-N 2.82Å; A287-M291 PolarHBondContact O-N 2.73Å; A287-L382 HydrophobicContact CB-CB 4.11Å |
| 288 | F | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 175.2 | -92.4 | -82.9 | 0 | 0 | 0 | 112.2 | T284 E285 D286 Q290 M291 K292 F308 Y328 Q331 L332 W335 L382 | T284-F288 HydrophobicContact CG2-CD2 3.94Å; T284-F288 HydrophobicContact CG2-CE2 3.96Å; T284-F288 WeakPolarHBondContact O-CD2 3.39Å; T284-F288 PolarHBondContact O-N 3.12Å; T284-F288 VanDerWaalsContact O-N 3.13Å; E285-F288 CarbonylContact O-C 3.54Å; E285-F288 PolarHBondContact O-N 2.71Å; E285-F288 VanDerWaalsContact O-N 3.16Å; D286-F288 VanDerWaalsContact C-N 3.31Å; D286-F288 PolarHBondContact O-N 2.79Å; F288-Q290 VanDerWaalsContact C-N 3.34Å; F288-Q290 PolarHBondContact O-N 3.16Å; F288-M291 PolarHBondContact O-N 2.9Å; F288-K292 WeakPolarHBondContact O-CB 3.48Å; F288-K292 WeakPolarHBondContact O-CG 3.28Å; F288-K292 PolarHBondContact O-N 2.77Å; F288-F308 HydrophobicContact CE1-CE1 4.34Å; F288-F308 HydrophobicContact CE1-CZ 4.11Å; F288-Y328 AromaticContact CE2-CD2 3.7Å; F288-Y328 HydrophobicContact CE2-CD2 3.7Å; F288-Y328 HydrophobicContact CE2-CE2 4.31Å; F288-Y328 HydrophobicContact CE2-CG 4.37Å; F288-Y328 AromaticContact CZ-CD2 3.59Å; F288-Y328 HydrophobicContact CZ-CD2 3.59Å; F288-Y328 AromaticContact CZ-CE2 3.77Å; F288-Y328 HydrophobicContact CZ-CE2 3.77Å; F288-Y328 HydrophobicContact CZ-CG 4.32Å; F288-Q331 HydrophobicContact CB-CB 4.18Å; F288-Q331 HydrophobicContact CB-CG 4.38Å; F288-Q331 HydrophobicContact CD1-CB 4.08Å; F288-Q331 HydrophobicContact CD2-CB 3.75Å; F288-Q331 HydrophobicContact CD2-CG 4.18Å; F288-Q331 HydrophobicContact CE1-CB 4.37Å; F288-Q331 HydrophobicContact CE2-CB 4.08Å; F288-Q331 HydrophobicContact CG-CB 3.74Å; F288-Q331 HydrophobicContact CG-CG 4.33Å; F288-Q331 HydrophobicContact CZ-CB 4.37Å; F288-L332 HydrophobicContact CE1-CB 4.39Å; F288-L332 HydrophobicContact CZ-CB 4.47Å; F288-W335 HydrophobicContact CD1-CE3 4.27Å; F288-W335 HydrophobicContact CD1-CZ3 4.44Å; F288-W335 HydrophobicContact CE1-CE3 4.48Å; F288-L382 HydrophobicContact CD1-CD2 4.01Å; F288-L382 HydrophobicContact CD2-CD2 3.91Å; F288-L382 HydrophobicContact CE1-CD2 4.05Å; F288-L382 HydrophobicContact CE2-CD2 3.94Å; F288-L382 HydrophobicContact CG-CD2 3.95Å; F288-L382 HydrophobicContact CZ-CD2 4.02Å |
| 289 | S | 97.5 | Very high | 95.3 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 178.9 | -69.7 | 0 | 0 | 0 | 0 | 112 | E285 D286 K292 N293 | E285-S289 PolarHBondContact O-N 3.02Å; E285-S289 PolarHBondContact O-OG 3.48Å; D286-S289 PolarHBondContact O-N 3.28Å; D286-S289 VanDerWaalsContact O-N 3.16Å; S289-K292 PolarHBondContact O-N 3.1Å; S289-N293 WeakPolarHBondContact O-CB 3.31Å; S289-N293 PolarHBondContact O-N 3.38Å; S289-N293 PolarHBondContact O-ND2 2.9Å; S289-N293 VanDerWaalsContact O-ND2 3.16Å |
| 290 | Q | 97.7 | Very high | 95.1 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 175.4 | -68.2 | 173.9 | 34.6 | 0 | 0 | 111.8 | Y270 Y271 D286 F288 N293 V294 | Y270-Q290 HydrophobicContact CD1-CB 3.91Å; Y271-Q290 VanDerWaalsContact O-CD 3.26Å; Y271-Q290 PolarHBondContact O-NE2 3.01Å; Y271-Q290 PolarHBondContact O-OE1 3.44Å; D286-Q290 WeakPolarHBondContact O-CG 3.11Å; D286-Q290 PolarHBondContact O-N 3.31Å; D286-Q290 PolarHBondContact OD1-NE2 2.92Å; D286-Q290 PolarHBondContact OD2-NE2 2.86Å; D286-Q290 VanDerWaalsContact OD2-NE2 3.16Å; F288-Q290 VanDerWaalsContact C-N 3.34Å; F288-Q290 PolarHBondContact O-N 3.16Å; Q290-N293 PolarHBondContact O-N 3.06Å; Q290-V294 PolarHBondContact O-N 3.28Å |
| 291 | M | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 176.6 | -176 | -177.8 | -74.8 | 0 | 0 | 111.7 | Y270 A287 F288 N293 V294 F295 F308 W335 L382 A384 | Y270-M291 HydrophobicContact CD1-CB 4.12Å; Y270-M291 HydrophobicContact CD2-CB 3.72Å; Y270-M291 HydrophobicContact CD2-CE 3.37Å; Y270-M291 HydrophobicContact CD2-CG 3.9Å; Y270-M291 HydrophobicContact CE1-CB 4.34Å; Y270-M291 HydrophobicContact CE2-CB 3.97Å; Y270-M291 HydrophobicContact CE2-CE 3.67Å; Y270-M291 HydrophobicContact CE2-CG 3.74Å; Y270-M291 HydrophobicContact CG-CB 3.79Å; Y270-M291 HydrophobicContact CG-CE 4.39Å; Y270-M291 HydrophobicContact CG-CG 4.46Å; A287-M291 PolarHBondContact O-N 2.73Å; F288-M291 PolarHBondContact O-N 2.9Å; M291-N293 VanDerWaalsContact C-N 3.3Å; M291-N293 PolarHBondContact O-N 3.07Å; M291-V294 PolarHBondContact O-N 2.98Å; M291-F295 HydrophobicContact CG-CD2 3.81Å; M291-F295 HydrophobicContact CG-CE2 3.56Å; M291-F295 HydrophobicContact CG-CG 4.45Å; M291-F295 HydrophobicContact CG-CZ 4.01Å; M291-F295 WeakPolarHBondContact O-CB 3.45Å; M291-F295 WeakPolarHBondContact O-CD2 3.47Å; M291-F295 PolarHBondContact O-N 3.11Å; M291-F295 HydrophobicContact SD-CE2 4.28Å; M291-F295 HydrophobicContact SD-CZ 4.15Å; M291-F308 HydrophobicContact CE-CD1 4.46Å; M291-F308 HydrophobicContact CE-CE1 4.06Å; M291-F308 HydrophobicContact SD-CE1 3.75Å; M291-W335 HydrophobicContact CG-CH2 4.13Å; M291-W335 HydrophobicContact CG-CZ3 4.44Å; M291-W335 HydrophobicContact SD-CH2 4.22Å; M291-W335 HydrophobicContact SD-CZ3 4.09Å; M291-L382 HydrophobicContact CE-CB 4.38Å; M291-L382 HydrophobicContact CE-CD2 3.75Å; M291-L382 HydrophobicContact CE-CG 3.65Å; M291-L382 HydrophobicContact SD-CD2 4.13Å; M291-A384 HydrophobicContact CE-CB 3.87Å; M291-A384 HydrophobicContact SD-CB 4.25Å |
| 292 | K | 95.9 | Very high | 94.7 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 13% | 0.13 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.1 | -44.6 | 177.8 | -76.6 | 173.9 | -177.9 | -173.4 | 0 | 111.5 | F288 S289 F295 A296 Q331 W335 | F288-K292 WeakPolarHBondContact O-CB 3.48Å; F288-K292 WeakPolarHBondContact O-CG 3.28Å; F288-K292 PolarHBondContact O-N 2.77Å; S289-K292 PolarHBondContact O-N 3.1Å; K292-F295 PolarHBondContact O-N 3.46Å; K292-A296 VanDerWaalsContact O-CB 3.28Å; K292-A296 WeakPolarHBondContact O-CB 3.22Å; K292-A296 PolarHBondContact O-N 3.42Å; K292-Q331 PolarHBondContact NZ-O 3.05Å; K292-W335 HydrophobicContact CB-CZ2 4.45Å; K292-W335 HydrophobicContact CD-CD2 4.23Å; K292-W335 HydrophobicContact CD-CG 4.3Å; K292-W335 HydrophobicContact CG-CD2 3.66Å; K292-W335 HydrophobicContact CG-CE3 3.88Å; K292-W335 HydrophobicContact CG-CG 4.19Å; K292-W335 HydrophobicContact CG-CH2 4.1Å; K292-W335 HydrophobicContact CG-CZ2 3.89Å; K292-W335 HydrophobicContact CG-CZ3 4.08Å |
| 293 | N | 95.5 | Very high | 94.4 | Very high | 106 Ų | 106 | 45 Ų | 45 | 57% | 0.567 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.6 | -46.7 | 178.6 | -72.1 | -26 | 0 | 0 | 0 | 112 | S289 Q290 M291 F295 L297 | S289-N293 WeakPolarHBondContact O-CB 3.31Å; S289-N293 PolarHBondContact O-N 3.38Å; S289-N293 PolarHBondContact O-ND2 2.9Å; S289-N293 VanDerWaalsContact O-ND2 3.16Å; Q290-N293 PolarHBondContact O-N 3.06Å; M291-N293 VanDerWaalsContact C-N 3.3Å; M291-N293 PolarHBondContact O-N 3.07Å; N293-F295 VanDerWaalsContact C-N 3.34Å; N293-F295 PolarHBondContact O-N 2.9Å; N293-L297 VanDerWaalsContact O-CG 3.28Å; N293-L297 WeakPolarHBondContact O-CG 3.49Å; N293-L297 PolarHBondContact O-N 3.25Å; N293-L297 VanDerWaalsContact O-N 3.1Å |
| 294 | V | 94.9 | Very high | 94.2 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.218 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 177.8 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | F256 Y270 Q290 M291 L297 N298 | F256-V294 HydrophobicContact CB-CG1 4.03Å; F256-V294 HydrophobicContact CD1-CG1 3.78Å; F256-V294 HydrophobicContact CD2-CG1 3.61Å; F256-V294 HydrophobicContact CE1-CG1 4.1Å; F256-V294 HydrophobicContact CE2-CG1 3.94Å; F256-V294 HydrophobicContact CG-CG1 3.52Å; F256-V294 HydrophobicContact CZ-CG1 4.17Å; Y270-V294 HydrophobicContact CE1-CB 4.04Å; Y270-V294 HydrophobicContact CE1-CG2 3.76Å; Y270-V294 WeakPolarHBondContact OH-CG1 3.36Å; Q290-V294 PolarHBondContact O-N 3.28Å; M291-V294 PolarHBondContact O-N 2.98Å; V294-L297 PolarHBondContact O-N 3.43Å; V294-N298 PolarHBondContact O-N 2.93Å; V294-N298 PolarHBondContact O-ND2 3.02Å |
| 295 | F | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.9 | -43.4 | -179.9 | -83.7 | -135.2 | 0 | 0 | 0 | 111.6 | F256 T267 M291 K292 N293 L297 N298 E299 I300 I305 W335 A384 V386 | F256-F295 HydrophobicContact CE2-CE2 4.48Å; T267-F295 HydrophobicContact CG2-CE2 4.02Å; T267-F295 HydrophobicContact CG2-CZ 4.04Å; M291-F295 HydrophobicContact CG-CD2 3.81Å; M291-F295 HydrophobicContact CG-CE2 3.56Å; M291-F295 HydrophobicContact CG-CG 4.45Å; M291-F295 HydrophobicContact CG-CZ 4.01Å; M291-F295 WeakPolarHBondContact O-CB 3.45Å; M291-F295 WeakPolarHBondContact O-CD2 3.47Å; M291-F295 PolarHBondContact O-N 3.11Å; M291-F295 HydrophobicContact SD-CE2 4.28Å; M291-F295 HydrophobicContact SD-CZ 4.15Å; K292-F295 PolarHBondContact O-N 3.46Å; N293-F295 VanDerWaalsContact C-N 3.34Å; N293-F295 PolarHBondContact O-N 2.9Å; F295-L297 PolarHBondContact O-N 3.48Å; F295-N298 CarbonylContact O-C 3.54Å; F295-N298 PolarHBondContact O-N 3.05Å; F295-N298 VanDerWaalsContact O-N 3.12Å; F295-E299 PolarHBondContact O-N 3.34Å; F295-I300 HydrophobicContact CB-CB 4.15Å; F295-I300 HydrophobicContact CD1-CB 3.76Å; F295-I300 HydrophobicContact CD1-CG2 3.43Å; F295-I300 VanDerWaalsContact CD1-CG2 3.43Å; F295-I300 HydrophobicContact CE1-CB 4.42Å; F295-I300 HydrophobicContact CE1-CG2 3.68Å; F295-I300 HydrophobicContact CG-CB 4.04Å; F295-I300 HydrophobicContact CG-CG2 4.2Å; F295-I300 PolarHBondContact O-N 2.87Å; F295-I305 HydrophobicContact CD1-CD1 4.48Å; F295-I305 HydrophobicContact CE1-CD1 3.83Å; F295-I305 HydrophobicContact CE1-CG1 3.71Å; F295-I305 HydrophobicContact CZ-CG1 4.45Å; F295-W335 HydrophobicContact CB-CH2 4.27Å; F295-W335 HydrophobicContact CB-CZ2 3.92Å; F295-W335 AromaticContact CD1-CH2 3.67Å; F295-W335 HydrophobicContact CD1-CH2 3.67Å; F295-W335 AromaticContact CD1-CZ2 3.86Å; F295-W335 HydrophobicContact CD1-CZ2 3.86Å; F295-W335 HydrophobicContact CE1-CH2 4.14Å; F295-W335 AromaticContact CG-CH2 4Å; F295-W335 HydrophobicContact CG-CH2 4Å; F295-W335 HydrophobicContact CG-CZ2 4.11Å; F295-A384 HydrophobicContact CZ-CB 4.39Å; F295-V386 HydrophobicContact CE1-CG1 3.71Å; F295-V386 HydrophobicContact CZ-CG1 3.55Å |
| 296 | A | 91.8 | Very high | 94 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 62% | 0.62 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.3 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K292 N298 E299 | K292-A296 VanDerWaalsContact O-CB 3.28Å; K292-A296 WeakPolarHBondContact O-CB 3.22Å; K292-A296 PolarHBondContact O-N 3.42Å; A296-N298 PolarHBondContact O-N 3.34Å; A296-E299 PolarHBondContact O-N 2.91Å |
| 297 | L | 92.1 | Very high | 94 | Very high | 145 Ų | 145 | 39.1 Ų | 39.1 | 76% | 0.759 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.6 | -23.4 | 176.6 | -72.8 | 171.6 | 0 | 0 | 0 | 113.6 | N293 V294 F295 | N293-L297 VanDerWaalsContact O-CG 3.28Å; N293-L297 WeakPolarHBondContact O-CG 3.49Å; N293-L297 PolarHBondContact O-N 3.25Å; N293-L297 VanDerWaalsContact O-N 3.1Å; V294-L297 PolarHBondContact O-N 3.43Å; F295-L297 PolarHBondContact O-N 3.48Å |
| 298 | N | 91.2 | Very high | 94 | Very high | 24 Ų | 24 | 39 Ų | 39 | 13% | 0.128 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 12.8 | -179 | -68.9 | -87.2 | 0 | 0 | 0 | 113 | S252 F256 V294 F295 A296 I300 | S252-N298 PolarHBondContact OG-OD1 3.34Å; F256-N298 HydrophobicContact CE1-CB 4.06Å; F256-N298 VanDerWaalsContact CE1-ND2 3.32Å; F256-N298 WeakPolarHBondContact CE1-ND2 3.31Å; F256-N298 HydrophobicContact CZ-CB 4.05Å; V294-N298 PolarHBondContact O-N 2.93Å; V294-N298 PolarHBondContact O-ND2 3.02Å; F295-N298 CarbonylContact O-C 3.54Å; F295-N298 PolarHBondContact O-N 3.05Å; F295-N298 VanDerWaalsContact O-N 3.12Å; A296-N298 PolarHBondContact O-N 3.34Å; N298-I300 HydrophobicContact CB-CD1 4.34Å; N298-I300 HydrophobicContact CB-CG1 4.2Å; N298-I300 PolarHBondContact O-N 3.4Å |
| 299 | E | 88.6 | Confident | 93.9 | Very high | 164 Ų | 164 | 39 Ų | 39 | 77% | 0.766 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 27 | 179.1 | -55.3 | -177.7 | 162.4 | 0 | 0 | 114.4 | F295 A296 | F295-E299 PolarHBondContact O-N 3.34Å; A296-E299 PolarHBondContact O-N 2.91Å |
| 300 | I | 90.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | trans | -86.6 | 127.6 | 176.8 | -55.4 | -178.1 | 0 | 0 | 0 | 109.4 | I253 F256 F295 N298 Q304 Y388 | I253-I300 HydrophobicContact CD1-CD1 4.17Å; F256-I300 HydrophobicContact CE2-CD1 4.08Å; F256-I300 HydrophobicContact CZ-CD1 3.7Å; F295-I300 HydrophobicContact CB-CB 4.15Å; F295-I300 HydrophobicContact CD1-CB 3.76Å; F295-I300 HydrophobicContact CD1-CG2 3.43Å; F295-I300 VanDerWaalsContact CD1-CG2 3.43Å; F295-I300 HydrophobicContact CE1-CB 4.42Å; F295-I300 HydrophobicContact CE1-CG2 3.68Å; F295-I300 HydrophobicContact CG-CB 4.04Å; F295-I300 HydrophobicContact CG-CG2 4.2Å; F295-I300 PolarHBondContact O-N 2.87Å; N298-I300 HydrophobicContact CB-CD1 4.34Å; N298-I300 HydrophobicContact CB-CG1 4.2Å; N298-I300 PolarHBondContact O-N 3.4Å; I300-Q304 HydrophobicContact CG2-CB 4.21Å; I300-Y388 HydrophobicContact CD1-CD2 3.97Å; I300-Y388 HydrophobicContact CD1-CE2 4.28Å; I300-Y388 HydrophobicContact CG1-CD2 3.86Å; I300-Y388 HydrophobicContact CG1-CE2 3.95Å | ||
| 301 | K | 89.8 | Confident | 93.8 | Very high | 90 Ų | 90 | 34.2 Ų | 34.2 | 39% | 0.391 | 18% | 0.182 | S | C | . | . | trans | -90.6 | 148.6 | 178.7 | -55.9 | -56.7 | -175.6 | 177 | 0 | 111.3 | Q303 Q304 V339 | K301-Q303 PolarHBondContact O-N 3.04Å; K301-Q304 WeakPolarHBondContact O-CB 3.46Å; K301-Q304 PolarHBondContact O-N 3.27Å; K301-V339 HydrophobicContact CD-CG1 4.06Å | ||
| 302 | P | 91.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -59.5 | -29.5 | 179 | 22 | -31.2 | 0 | 0 | 0 | 113 | Q304 I305 W335 L336 V339 | P302-Q304 PolarHBondContact O-N 2.88Å; P302-Q304 VanDerWaalsContact O-N 3.17Å; P302-I305 WeakPolarHBondContact O-CB 3.47Å; P302-I305 WeakPolarHBondContact O-CG1 3.35Å; P302-I305 PolarHBondContact O-N 2.97Å; P302-W335 HydrophobicContact CB-CD2 3.66Å; P302-W335 HydrophobicContact CB-CE3 4.11Å; P302-W335 HydrophobicContact CB-CG 3.9Å; P302-W335 HydrophobicContact CB-CZ2 4.24Å; P302-W335 HydrophobicContact CG-CD2 4.16Å; P302-W335 HydrophobicContact CG-CG 3.97Å; P302-L336 HydrophobicContact CB-CD2 3.97Å; P302-L336 HydrophobicContact CG-CD2 4.08Å; P302-V339 HydrophobicContact CG-CB 4.31Å; P302-V339 HydrophobicContact CG-CG2 3.88Å |
| 303 | Q | 89.2 | Confident | 93.5 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -64.3 | -16.8 | 175.9 | -61.8 | 81.9 | -3.5 | 0 | 0 | 113.2 | K301 I305 L336 W396 I397 | K301-Q303 PolarHBondContact O-N 3.04Å; Q303-I305 VanDerWaalsContact C-N 3.29Å; Q303-L336 HydrophobicContact CG-CD2 4.02Å; Q303-W396 WeakPolarHBondContact O-CZ3 3.41Å; Q303-I397 HydrophobicContact CB-CD1 3.44Å; Q303-I397 VanDerWaalsContact CB-CD1 3.44Å; Q303-I397 HydrophobicContact CB-CG1 4.25Å; Q303-I397 HydrophobicContact CG-CD1 4.06Å |
| 304 | Q | 91.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 5% | 0.051 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -81.8 | -6.2 | 174.8 | -64.4 | 173.3 | -101.1 | 0 | 0 | 113.3 | I300 K301 P302 V386 Y387 V393 W396 | I300-Q304 HydrophobicContact CG2-CB 4.21Å; K301-Q304 WeakPolarHBondContact O-CB 3.46Å; K301-Q304 PolarHBondContact O-N 3.27Å; P302-Q304 PolarHBondContact O-N 2.88Å; P302-Q304 VanDerWaalsContact O-N 3.17Å; Q304-V386 WeakPolarHBondContact O-CA 3.39Å; Q304-Y387 WeakPolarHBondContact CB-O 3.28Å; Q304-Y387 PolarHBondContact NE2-O 3.44Å; Q304-Y387 PolarHBondContact O-N 3.3Å; Q304-V393 HydrophobicContact CG-CG1 4.09Å; Q304-V393 HydrophobicContact CG-CG2 4.27Å; Q304-W396 HydrophobicContact CB-CZ3 4.5Å |
| 305 | I | 94.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 128.6 | 176.6 | -57 | 170 | 0 | 0 | 0 | 109.1 | F295 P302 Q303 F308 W335 P356 A384 V386 | F295-I305 HydrophobicContact CD1-CD1 4.48Å; F295-I305 HydrophobicContact CE1-CD1 3.83Å; F295-I305 HydrophobicContact CE1-CG1 3.71Å; F295-I305 HydrophobicContact CZ-CG1 4.45Å; P302-I305 WeakPolarHBondContact O-CB 3.47Å; P302-I305 WeakPolarHBondContact O-CG1 3.35Å; P302-I305 PolarHBondContact O-N 2.97Å; Q303-I305 VanDerWaalsContact C-N 3.29Å; I305-F308 HydrophobicContact CD1-CE1 4.3Å; I305-F308 HydrophobicContact CD1-CE2 4.33Å; I305-F308 HydrophobicContact CD1-CZ 3.68Å; I305-F308 HydrophobicContact CG2-CD2 4.01Å; I305-F308 HydrophobicContact CG2-CE1 4.32Å; I305-F308 HydrophobicContact CG2-CE2 3.72Å; I305-F308 HydrophobicContact CG2-CG 4.48Å; I305-F308 HydrophobicContact CG2-CZ 3.9Å; I305-W335 HydrophobicContact CD1-CE3 4.47Å; I305-W335 HydrophobicContact CD1-CH2 3.8Å; I305-W335 HydrophobicContact CD1-CZ3 3.66Å; I305-P356 HydrophobicContact CB-CG 4.01Å; I305-P356 HydrophobicContact CG2-CB 3.95Å; I305-P356 HydrophobicContact CG2-CG 3.9Å; I305-P356 WeakPolarHBondContact O-CG 3.45Å; I305-A384 HydrophobicContact CG2-CB 4.02Å; I305-V386 HydrophobicContact CB-CG1 4.49Å; I305-V386 HydrophobicContact CG1-CG1 3.96Å |
| 306 | V | 95.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -33.6 | -176.3 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | M264 T357 I385 W396 I423 V425 F445 | M264-V306 HydrophobicContact CE-CB 4.01Å; M264-V306 HydrophobicContact CE-CG1 4.44Å; M264-V306 HydrophobicContact CE-CG2 3.66Å; V306-T357 PolarHBondContact O-N 2.86Å; V306-T357 PolarHBondContact O-OG1 2.91Å; V306-I385 PolarHBondContact N-O 3.46Å; V306-W396 HydrophobicContact CG2-CH2 3.76Å; V306-W396 HydrophobicContact CG2-CZ2 4.01Å; V306-I423 HydrophobicContact CG1-CB 4.07Å; V306-I423 HydrophobicContact CG1-CG2 3.88Å; V306-V425 HydrophobicContact CB-CG2 4.42Å; V306-V425 HydrophobicContact CG1-CG2 3.69Å; V306-V425 HydrophobicContact CG2-CG2 3.82Å; V306-F445 HydrophobicContact CB-CD2 4.34Å; V306-F445 HydrophobicContact CG1-CB 4.14Å; V306-F445 HydrophobicContact CG1-CD2 3.24Å; V306-F445 HydrophobicContact CG1-CE2 3.77Å; V306-F445 HydrophobicContact CG1-CG 3.78Å |
| 307 | Q | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 138.2 | 177.8 | -177 | 162.2 | 76.1 | 0 | 0 | 110.7 | T357 A384 I385 F445 Y446 | Q307-T357 CarbonylContact C-O 3.53Å; Q307-T357 VanDerWaalsContact CA-O 3.28Å; Q307-T357 WeakPolarHBondContact CA-O 3.31Å; Q307-T357 WeakPolarHBondContact CA-OG1 3.33Å; Q307-T357 WeakPolarHBondContact CB-OG1 3.3Å; Q307-T357 VanDerWaalsContact CG-OG1 3.23Å; Q307-T357 WeakPolarHBondContact CG-OG1 3.49Å; Q307-T357 PolarHBondContact NE2-OG1 3.38Å; Q307-A384 CarbonylContact O-C 3.56Å; Q307-A384 VanDerWaalsContact O-CA 3.25Å; Q307-A384 WeakPolarHBondContact O-CA 3.16Å; Q307-I385 HydrophobicContact CB-CB 4.06Å; Q307-I385 HydrophobicContact CB-CD1 4.14Å; Q307-I385 HydrophobicContact CB-CG1 4.07Å; Q307-I385 HydrophobicContact CG-CD1 4.5Å; Q307-I385 PolarHBondContact N-O 3.43Å; Q307-I385 PolarHBondContact O-N 2.78Å; Q307-F445 HydrophobicContact CB-CB 4.42Å; Q307-Y446 PolarHBondContact NE2-O 3.21Å |
| 308 | F | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 140.1 | 163 | -77.2 | -78.5 | 0 | 0 | 0 | 110.8 | F288 M291 I305 V310 Y328 L332 P356 T357 R358 V359 L382 S383 A384 | F288-F308 HydrophobicContact CE1-CE1 4.34Å; F288-F308 HydrophobicContact CE1-CZ 4.11Å; M291-F308 HydrophobicContact CE-CD1 4.46Å; M291-F308 HydrophobicContact CE-CE1 4.06Å; M291-F308 HydrophobicContact SD-CE1 3.75Å; I305-F308 HydrophobicContact CD1-CE1 4.3Å; I305-F308 HydrophobicContact CD1-CE2 4.33Å; I305-F308 HydrophobicContact CD1-CZ 3.68Å; I305-F308 HydrophobicContact CG2-CD2 4.01Å; I305-F308 HydrophobicContact CG2-CE1 4.32Å; I305-F308 HydrophobicContact CG2-CE2 3.72Å; I305-F308 HydrophobicContact CG2-CG 4.48Å; I305-F308 HydrophobicContact CG2-CZ 3.9Å; F308-V310 HydrophobicContact CB-CG2 4.32Å; F308-Y328 HydrophobicContact CB-CE2 4.44Å; F308-Y328 HydrophobicContact CD2-CE2 4.17Å; F308-Y328 AromaticContact CD2-CZ 3.97Å; F308-Y328 WeakPolarHBondContact CD2-OH 3.26Å; F308-Y328 HydrophobicContact CG-CE2 4.19Å; F308-L332 HydrophobicContact CE2-CD1 4.07Å; F308-L332 HydrophobicContact CE2-CD2 4.24Å; F308-L332 HydrophobicContact CZ-CD1 4.27Å; F308-P356 HydrophobicContact CD2-CB 3.84Å; F308-P356 HydrophobicContact CD2-CG 4.2Å; F308-P356 HydrophobicContact CE2-CB 4.07Å; F308-P356 HydrophobicContact CE2-CG 3.9Å; F308-T357 PolarHBondContact N-O 3.01Å; F308-R358 HydrophobicContact CB-CG 4.2Å; F308-R358 WeakPolarHBondContact O-CA 3.49Å; F308-V359 PolarHBondContact O-N 2.92Å; F308-L382 HydrophobicContact CD1-CD1 3.52Å; F308-L382 HydrophobicContact CD1-CD2 4.4Å; F308-L382 HydrophobicContact CD1-CG 4Å; F308-L382 HydrophobicContact CE1-CD1 4.03Å; F308-L382 HydrophobicContact CE1-CD2 4.08Å; F308-L382 HydrophobicContact CE1-CG 4.16Å; F308-L382 HydrophobicContact CG-CD1 4.33Å; F308-S383 CarbonylContact C-O 3.58Å; F308-S383 WeakPolarHBondContact CA-O 3.43Å; F308-A384 HydrophobicContact CD1-CB 4.29Å; F308-A384 HydrophobicContact CE1-CB 4.35Å |
| 309 | I | 97.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.3 | 168.5 | -53.5 | 170.1 | 0 | 0 | 0 | 106 | S383 M592 F618 | I309-S383 PolarHBondContact N-O 3.43Å; I309-S383 PolarHBondContact O-N 2.94Å; I309-M592 HydrophobicContact CD1-CE 3.53Å; I309-F618 HydrophobicContact CB-CE2 4.2Å; I309-F618 HydrophobicContact CD1-CD2 4.48Å; I309-F618 HydrophobicContact CG2-CE1 4.43Å; I309-F618 HydrophobicContact CG2-CE2 3.66Å; I309-F618 HydrophobicContact CG2-CZ 3.57Å |
| 310 | V | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.5 | -174.4 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | F308 L312 F324 Y328 R358 V359 C360 I361 S381 L382 | F308-V310 HydrophobicContact CB-CG2 4.32Å; V310-L312 HydrophobicContact CG1-CD1 3.51Å; V310-F324 HydrophobicContact CB-CZ 4.22Å; V310-F324 HydrophobicContact CG1-CE1 3.88Å; V310-F324 HydrophobicContact CG1-CE2 3.78Å; V310-F324 HydrophobicContact CG1-CZ 3.27Å; V310-F324 HydrophobicContact CG2-CZ 4.02Å; V310-Y328 HydrophobicContact CG2-CE2 4.41Å; V310-R358 HydrophobicContact CG2-CG 4.06Å; V310-V359 WeakPolarHBondContact CB-O 3.47Å; V310-V359 PolarHBondContact N-O 3.33Å; V310-C360 HydrophobicContact CB-CB 4.24Å; V310-C360 WeakPolarHBondContact O-CA 3.36Å; V310-I361 PolarHBondContact O-N 2.76Å; V310-S381 WeakPolarHBondContact CA-O 3.44Å; V310-L382 HydrophobicContact CG2-CD1 3.79Å |
| 311 | V | 95.8 | Very high | 92.4 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.5 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | I361 V363 S381 F618 L620 | V311-I361 WeakPolarHBondContact CA-O 3.22Å; V311-I361 HydrophobicContact CB-CG1 4.36Å; V311-I361 HydrophobicContact CG1-CG1 4.27Å; V311-I361 HydrophobicContact CG2-CD1 4.01Å; V311-I361 HydrophobicContact CG2-CG1 3.82Å; V311-V363 HydrophobicContact CG1-CB 4.25Å; V311-V363 HydrophobicContact CG1-CG2 4.04Å; V311-S381 PolarHBondContact N-O 3.38Å; V311-S381 PolarHBondContact O-N 3.07Å; V311-F618 HydrophobicContact CG2-CZ 4.49Å; V311-L620 HydrophobicContact CB-CD1 4.23Å; V311-L620 HydrophobicContact CG1-CD1 3.67Å; V311-L620 HydrophobicContact CG2-CD1 3.76Å |
| 312 | L | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 140.5 | 174.5 | -73.2 | 80.7 | 0 | 0 | 0 | 109.4 | V310 Q314 L316 V320 F324 I361 C362 V363 I380 | V310-L312 HydrophobicContact CG1-CD1 3.51Å; L312-Q314 VanDerWaalsContact C-N 3.28Å; L312-L316 HydrophobicContact CB-CD2 4.17Å; L312-L316 HydrophobicContact CD1-CD2 4.03Å; L312-L316 HydrophobicContact CD2-CD2 3.9Å; L312-L316 HydrophobicContact CG-CD2 4.25Å; L312-V320 HydrophobicContact CD2-CG1 4.22Å; L312-F324 HydrophobicContact CD1-CD2 4.33Å; L312-F324 HydrophobicContact CD1-CE2 4.41Å; L312-F324 HydrophobicContact CD1-CG 4.44Å; L312-F324 HydrophobicContact CD2-CB 4.28Å; L312-F324 HydrophobicContact CD2-CD2 4.31Å; L312-F324 HydrophobicContact CD2-CG 4.23Å; L312-I361 PolarHBondContact N-O 3.3Å; L312-C362 CarbonylContact O-C 3.53Å; L312-C362 WeakPolarHBondContact O-CA 3.37Å; L312-V363 PolarHBondContact O-N 3.49Å; L312-I380 HydrophobicContact CD2-CD1 4.49Å; L312-I380 HydrophobicContact CD2-CG1 4.48Å; L312-I380 HydrophobicContact CG-CG1 4.21Å |
| 313 | S | 91.5 | Very high | 92.5 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 15% | 0.147 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -84.7 | -7.1 | 167.9 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | V363 F378 T379 | S313-V363 VanDerWaalsContact CA-O 3.26Å; S313-V363 WeakPolarHBondContact CA-O 3.24Å; S313-F378 WeakPolarHBondContact OG-CA 3.45Å; S313-F378 WeakPolarHBondContact OG-CB 3.44Å; S313-T379 PolarHBondContact N-O 3.36Å; S313-T379 PolarHBondContact OG-N 3.47Å |
| 314 | Q | 88.8 | Confident | 92.7 | Very high | 51 Ų | 51 | 30.8 Ų | 30.8 | 24% | 0.238 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -92.9 | 140.2 | 174.4 | -172.2 | 61.7 | 12.1 | 0 | 0 | 110.3 | V277 L312 L316 V320 C362 F378 | V277-Q314 HydrophobicContact CG2-CG 4.46Å; L312-Q314 VanDerWaalsContact C-N 3.28Å; Q314-L316 PolarHBondContact O-N 2.94Å; Q314-V320 HydrophobicContact CG-CG1 4.17Å; Q314-V320 HydrophobicContact CG-CG2 3.96Å; Q314-C362 VanDerWaalsContact C-SG 3.58Å; Q314-C362 PolarHBondContact O-SG 3Å; Q314-F378 HydrophobicContact CB-CB 4.1Å; Q314-F378 HydrophobicContact CB-CG 4.35Å |
| 315 | R | 88.9 | Confident | 92.8 | Very high | 146 Ų | 146 | 31.4 Ų | 31.4 | 55% | 0.551 | 17% | 0.173 | S | C | * | . | trans | -56.2 | 132.8 | 174.6 | -174.1 | 178.3 | 178.3 | 164.3 | 0.1 | 110.7 | S317 V320 N551 | R315-S317 PolarHBondContact O-N 3.45Å; R315-V320 VanDerWaalsContact O-CG1 3.32Å; R315-V320 WeakPolarHBondContact O-CG1 3.47Å; R315-N551 HydrophobicContact CG-CB 4.09Å; R315-N551 WeakPolarHBondContact CG-OD1 3.39Å | ||
| 316 | L | 89.9 | Confident | 92.8 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | trans | -77.8 | 55.5 | -179.6 | -57.2 | 170.5 | 0 | 0 | 0 | 111.9 | L312 Q314 F321 C362 N551 P553 | L312-L316 HydrophobicContact CB-CD2 4.17Å; L312-L316 HydrophobicContact CD1-CD2 4.03Å; L312-L316 HydrophobicContact CD2-CD2 3.9Å; L312-L316 HydrophobicContact CG-CD2 4.25Å; Q314-L316 PolarHBondContact O-N 2.94Å; L316-F321 HydrophobicContact CD2-CD2 4.27Å; L316-C362 HydrophobicContact CD1-CB 3.94Å; L316-C362 HydrophobicContact CG-CB 3.76Å; L316-N551 WeakPolarHBondContact CA-OD1 3.27Å; L316-N551 WeakPolarHBondContact CB-OD1 3.39Å; L316-N551 PolarHBondContact N-OD1 2.81Å; L316-P553 HydrophobicContact CD1-CG 4Å | ||
| 317 | S | 88.1 | Confident | 92.8 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | trans | -58.1 | 157.5 | 166.9 | 70.6 | 0 | 0 | 0 | 0 | 110.6 | R315 D319 V320 F321 | R315-S317 PolarHBondContact O-N 3.45Å; S317-D319 VanDerWaalsContact C-N 3.26Å; S317-D319 PolarHBondContact O-N 2.74Å; S317-V320 PolarHBondContact O-N 2.99Å; S317-V320 WeakPolarHBondContact OG-CB 3.25Å; S317-V320 WeakPolarHBondContact OG-CG2 3.32Å; S317-V320 PolarHBondContact OG-N 3.27Å; S317-F321 WeakPolarHBondContact O-CB 3.47Å; S317-F321 PolarHBondContact O-N 2.83Å | ||
| 318 | P | 87.7 | Confident | 92.7 | Very high | 96 Ų | 96 | 37.1 Ų | 37.1 | 62% | 0.623 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -51.3 | -42.5 | 179.9 | -29.6 | 36.6 | 0 | 0 | 0 | 113.9 | S322 | P318-S322 VanDerWaalsContact O-CB 3.24Å; P318-S322 WeakPolarHBondContact O-CB 3.37Å; P318-S322 PolarHBondContact O-N 2.93Å |
| 319 | D | 89.8 | Confident | 92.4 | Very high | 133 Ų | 133 | 39 Ų | 39 | 71% | 0.711 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -69.1 | -46.5 | -179.5 | -59.9 | -30.7 | 0 | 0 | 0 | 111.9 | S317 F321 S322 S323 | S317-D319 VanDerWaalsContact C-N 3.26Å; S317-D319 PolarHBondContact O-N 2.74Å; D319-F321 PolarHBondContact O-N 2.92Å; D319-S322 PolarHBondContact O-N 2.76Å; D319-S323 WeakPolarHBondContact O-CB 3.49Å; D319-S323 PolarHBondContact O-N 3.14Å |
| 320 | V | 91 | Very high | 92.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 174.7 | 162.1 | 0 | 0 | 0 | 0 | 110.7 | V277 I280 L312 Q314 R315 S317 S322 S323 F324 | V277-V320 HydrophobicContact CG1-CG2 3.76Å; I280-V320 HydrophobicContact CD1-CB 3.99Å; I280-V320 HydrophobicContact CD1-CG1 3.72Å; I280-V320 HydrophobicContact CD1-CG2 3.75Å; L312-V320 HydrophobicContact CD2-CG1 4.22Å; Q314-V320 HydrophobicContact CG-CG1 4.17Å; Q314-V320 HydrophobicContact CG-CG2 3.96Å; R315-V320 VanDerWaalsContact O-CG1 3.32Å; R315-V320 WeakPolarHBondContact O-CG1 3.47Å; S317-V320 PolarHBondContact O-N 2.99Å; S317-V320 WeakPolarHBondContact OG-CB 3.25Å; S317-V320 WeakPolarHBondContact OG-CG2 3.32Å; S317-V320 PolarHBondContact OG-N 3.27Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 2.96Å; V320-S323 PolarHBondContact O-N 2.82Å; V320-F324 VanDerWaalsContact O-CB 3.32Å; V320-F324 WeakPolarHBondContact O-CB 3.45Å; V320-F324 PolarHBondContact O-N 3.26Å |
| 321 | F | 91.4 | Very high | 92.2 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 10% | 0.096 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.3 | -37 | -178.1 | -171.7 | -115.5 | 0 | 0 | 0 | 111.7 | L316 S317 D319 N325 C360 P553 | L316-F321 HydrophobicContact CD2-CD2 4.27Å; S317-F321 WeakPolarHBondContact O-CB 3.47Å; S317-F321 PolarHBondContact O-N 2.83Å; D319-F321 PolarHBondContact O-N 2.92Å; F321-N325 VanDerWaalsContact CD1-ND2 3.27Å; F321-N325 WeakPolarHBondContact CD1-ND2 3.36Å; F321-N325 WeakPolarHBondContact CE1-ND2 3.18Å; F321-N325 WeakPolarHBondContact CZ-ND2 3.46Å; F321-N325 VanDerWaalsContact O-CB 3.32Å; F321-N325 WeakPolarHBondContact O-CB 3.46Å; F321-N325 PolarHBondContact O-N 2.79Å; F321-N325 PolarHBondContact O-ND2 3.34Å; F321-C360 HydrophobicContact CE2-CB 4.44Å; F321-P553 HydrophobicContact CD2-CB 4.4Å; F321-P553 HydrophobicContact CE1-CB 4.19Å; F321-P553 HydrophobicContact CE2-CB 3.86Å; F321-P553 HydrophobicContact CE2-CG 3.82Å; F321-P553 HydrophobicContact CZ-CB 3.74Å; F321-P553 HydrophobicContact CZ-CG 4.06Å |
| 322 | S | 90.7 | Very high | 92 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65 | -51 | 175.3 | -170.9 | 0 | 0 | 0 | 0 | 111.6 | P318 D319 V320 F324 N325 E326 | P318-S322 VanDerWaalsContact O-CB 3.24Å; P318-S322 WeakPolarHBondContact O-CB 3.37Å; P318-S322 PolarHBondContact O-N 2.93Å; D319-S322 PolarHBondContact O-N 2.76Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 2.96Å; S322-F324 PolarHBondContact O-N 2.81Å; S322-N325 PolarHBondContact O-N 3.05Å; S322-E326 PolarHBondContact O-N 2.98Å |
| 323 | S | 92.7 | Very high | 91.8 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -46.9 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | D319 V320 N325 E326 A327 | D319-S323 WeakPolarHBondContact O-CB 3.49Å; D319-S323 PolarHBondContact O-N 3.14Å; V320-S323 PolarHBondContact O-N 2.82Å; S323-N325 PolarHBondContact O-N 2.86Å; S323-E326 PolarHBondContact O-N 3.24Å; S323-A327 PolarHBondContact O-N 3.35Å |
| 324 | F | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 174.2 | 167.8 | -100.4 | 0 | 0 | 0 | 112.2 | I280 T284 V310 L312 V320 S322 E326 A327 Y328 I380 | I280-F324 HydrophobicContact CG2-CB 3.88Å; T284-F324 HydrophobicContact CG2-CD2 4.14Å; T284-F324 HydrophobicContact CG2-CE2 3.94Å; T284-F324 WeakPolarHBondContact OG1-CD2 3.33Å; V310-F324 HydrophobicContact CB-CZ 4.22Å; V310-F324 HydrophobicContact CG1-CE1 3.88Å; V310-F324 HydrophobicContact CG1-CE2 3.78Å; V310-F324 HydrophobicContact CG1-CZ 3.27Å; V310-F324 HydrophobicContact CG2-CZ 4.02Å; L312-F324 HydrophobicContact CD1-CD2 4.33Å; L312-F324 HydrophobicContact CD1-CE2 4.41Å; L312-F324 HydrophobicContact CD1-CG 4.44Å; L312-F324 HydrophobicContact CD2-CB 4.28Å; L312-F324 HydrophobicContact CD2-CD2 4.31Å; L312-F324 HydrophobicContact CD2-CG 4.23Å; V320-F324 VanDerWaalsContact O-CB 3.32Å; V320-F324 WeakPolarHBondContact O-CB 3.45Å; V320-F324 PolarHBondContact O-N 3.26Å; S322-F324 PolarHBondContact O-N 2.81Å; F324-E326 VanDerWaalsContact C-N 3.33Å; F324-E326 PolarHBondContact O-N 3.46Å; F324-A327 PolarHBondContact O-N 2.96Å; F324-Y328 HydrophobicContact CE1-CG 4.47Å; F324-Y328 AromaticContact CZ-CD2 3.83Å; F324-Y328 HydrophobicContact CZ-CD2 3.83Å; F324-Y328 HydrophobicContact CZ-CG 4.11Å; F324-Y328 WeakPolarHBondContact O-CB 3.45Å; F324-Y328 PolarHBondContact O-N 2.84Å; F324-I380 HydrophobicContact CD2-CD1 4.3Å; F324-I380 HydrophobicContact CE2-CG2 4.25Å |
| 325 | N | 93.6 | Very high | 92 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | -179.3 | -76.5 | -35.7 | 0 | 0 | 0 | 112 | F321 S322 S323 Y328 T329 R358 | F321-N325 VanDerWaalsContact CD1-ND2 3.27Å; F321-N325 WeakPolarHBondContact CD1-ND2 3.36Å; F321-N325 WeakPolarHBondContact CE1-ND2 3.18Å; F321-N325 WeakPolarHBondContact CZ-ND2 3.46Å; F321-N325 VanDerWaalsContact O-CB 3.32Å; F321-N325 WeakPolarHBondContact O-CB 3.46Å; F321-N325 PolarHBondContact O-N 2.79Å; F321-N325 PolarHBondContact O-ND2 3.34Å; S322-N325 PolarHBondContact O-N 3.05Å; S323-N325 PolarHBondContact O-N 2.86Å; N325-Y328 PolarHBondContact O-N 2.91Å; N325-T329 WeakPolarHBondContact O-CB 3.49Å; N325-T329 PolarHBondContact O-N 3Å; N325-T329 PolarHBondContact O-OG1 2.86Å; N325-R358 VanDerWaalsContact OD1-CZ 3.25Å; N325-R358 PolarHBondContact OD1-NH1 2.81Å; N325-R358 PolarHBondContact OD1-NH2 2.96Å |
| 326 | E | 93.7 | Very high | 91.9 | Very high | 128 Ų | 128 | 37.9 Ų | 37.9 | 60% | 0.598 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -60.2 | -49.7 | 175.9 | -175.4 | 179 | 175.5 | 0 | 0 | 111.1 | Y281 S322 S323 F324 T329 G330 | Y281-E326 HydrophobicContact CE2-CG 4.42Å; S322-E326 PolarHBondContact O-N 2.98Å; S323-E326 PolarHBondContact O-N 3.24Å; F324-E326 VanDerWaalsContact C-N 3.33Å; F324-E326 PolarHBondContact O-N 3.46Å; E326-T329 PolarHBondContact O-N 2.91Å; E326-G330 PolarHBondContact O-N 2.93Å |
| 327 | A | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y281 T284 S323 F324 T329 G330 Q331 | Y281-A327 HydrophobicContact CD1-CB 4.34Å; Y281-A327 HydrophobicContact CD2-CB 3.45Å; Y281-A327 VanDerWaalsContact CD2-CB 3.45Å; Y281-A327 HydrophobicContact CE2-CB 3.74Å; Y281-A327 HydrophobicContact CG-CB 3.77Å; T284-A327 HydrophobicContact CG2-CB 3.83Å; S323-A327 PolarHBondContact O-N 3.35Å; F324-A327 PolarHBondContact O-N 2.96Å; A327-T329 PolarHBondContact O-N 3.5Å; A327-G330 PolarHBondContact O-N 3.17Å; A327-Q331 WeakPolarHBondContact O-CB 3.35Å; A327-Q331 VanDerWaalsContact O-CG 3.3Å; A327-Q331 WeakPolarHBondContact O-CG 3.34Å; A327-Q331 PolarHBondContact O-N 3.05Å |
| 328 | Y | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.6 | -49.8 | 178 | 173.7 | -86.9 | 0 | 0 | 0 | 111.9 | F288 F308 V310 F324 N325 Q331 L332 P418 | F288-Y328 AromaticContact CE2-CD2 3.7Å; F288-Y328 HydrophobicContact CE2-CD2 3.7Å; F288-Y328 HydrophobicContact CE2-CE2 4.31Å; F288-Y328 HydrophobicContact CE2-CG 4.37Å; F288-Y328 AromaticContact CZ-CD2 3.59Å; F288-Y328 HydrophobicContact CZ-CD2 3.59Å; F288-Y328 AromaticContact CZ-CE2 3.77Å; F288-Y328 HydrophobicContact CZ-CE2 3.77Å; F288-Y328 HydrophobicContact CZ-CG 4.32Å; F308-Y328 HydrophobicContact CB-CE2 4.44Å; F308-Y328 HydrophobicContact CD2-CE2 4.17Å; F308-Y328 AromaticContact CD2-CZ 3.97Å; F308-Y328 WeakPolarHBondContact CD2-OH 3.26Å; F308-Y328 HydrophobicContact CG-CE2 4.19Å; V310-Y328 HydrophobicContact CG2-CE2 4.41Å; F324-Y328 HydrophobicContact CE1-CG 4.47Å; F324-Y328 AromaticContact CZ-CD2 3.83Å; F324-Y328 HydrophobicContact CZ-CD2 3.83Å; F324-Y328 HydrophobicContact CZ-CG 4.11Å; F324-Y328 WeakPolarHBondContact O-CB 3.45Å; F324-Y328 PolarHBondContact O-N 2.84Å; N325-Y328 PolarHBondContact O-N 2.91Å; Y328-Q331 PolarHBondContact O-N 2.62Å; Y328-L332 HydrophobicContact CE1-CD2 4.14Å; Y328-L332 WeakPolarHBondContact O-CB 3.4Å; Y328-L332 PolarHBondContact O-N 3.22Å; Y328-P418 HydrophobicContact CD1-CG 3.97Å; Y328-P418 HydrophobicContact CE1-CG 3.94Å |
| 329 | T | 92.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 23% | 0.233 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.4 | -65 | 0 | 0 | 0 | 0 | 111.1 | N325 E326 A327 Q331 L332 N333 P418 | N325-T329 WeakPolarHBondContact O-CB 3.49Å; N325-T329 PolarHBondContact O-N 3Å; N325-T329 PolarHBondContact O-OG1 2.86Å; E326-T329 PolarHBondContact O-N 2.91Å; A327-T329 PolarHBondContact O-N 3.5Å; T329-Q331 PolarHBondContact O-N 2.87Å; T329-L332 PolarHBondContact O-N 3.36Å; T329-N333 WeakPolarHBondContact CG2-ND2 3.33Å; T329-N333 VanDerWaalsContact O-CB 3.31Å; T329-N333 WeakPolarHBondContact O-CB 3.45Å; T329-N333 VanDerWaalsContact O-CG 3.27Å; T329-N333 PolarHBondContact O-N 3.41Å; T329-P418 HydrophobicContact CG2-CB 4.28Å; T329-P418 WeakPolarHBondContact OG1-CB 3.35Å; T329-P418 WeakPolarHBondContact OG1-CG 3.43Å |
| 330 | G | 93.4 | Very high | 89.6 | Confident | 23 Ų | 23 | 37.7 Ų | 37.7 | 24% | 0.237 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E326 A327 R334 | E326-G330 PolarHBondContact O-N 2.93Å; A327-G330 PolarHBondContact O-N 3.17Å; G330-R334 VanDerWaalsContact O-CB 3.27Å; G330-R334 WeakPolarHBondContact O-CB 3.5Å; G330-R334 PolarHBondContact O-N 3.48Å; G330-R334 VanDerWaalsContact O-N 3.11Å |
| 331 | Q | 95.6 | Very high | 88 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.6 | -39.6 | -179.2 | -71 | -61.3 | -23.8 | 0 | 0 | 113.1 | E285 F288 K292 A327 Y328 T329 R334 W335 | E285-Q331 HydrophobicContact CB-CG 4.47Å; E285-Q331 PolarHBondContact OE1-NE2 2.74Å; F288-Q331 HydrophobicContact CB-CB 4.18Å; F288-Q331 HydrophobicContact CB-CG 4.38Å; F288-Q331 HydrophobicContact CD1-CB 4.08Å; F288-Q331 HydrophobicContact CD2-CB 3.75Å; F288-Q331 HydrophobicContact CD2-CG 4.18Å; F288-Q331 HydrophobicContact CE1-CB 4.37Å; F288-Q331 HydrophobicContact CE2-CB 4.08Å; F288-Q331 HydrophobicContact CG-CB 3.74Å; F288-Q331 HydrophobicContact CG-CG 4.33Å; F288-Q331 HydrophobicContact CZ-CB 4.37Å; K292-Q331 PolarHBondContact NZ-O 3.05Å; A327-Q331 WeakPolarHBondContact O-CB 3.35Å; A327-Q331 VanDerWaalsContact O-CG 3.3Å; A327-Q331 WeakPolarHBondContact O-CG 3.34Å; A327-Q331 PolarHBondContact O-N 3.05Å; Y328-Q331 PolarHBondContact O-N 2.62Å; T329-Q331 PolarHBondContact O-N 2.87Å; Q331-R334 VanDerWaalsContact OE1-NH1 3.11Å; Q331-W335 WeakPolarHBondContact O-CB 3.48Å; Q331-W335 PolarHBondContact O-N 2.88Å; Q331-W335 VanDerWaalsContact O-N 3.15Å |
| 332 | L | 93.3 | Very high | 86.4 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.5 | -46.7 | 178.8 | -179.9 | 60.4 | 0 | 0 | 0 | 111.9 | F288 F308 Y328 T329 R334 W335 L336 M355 | F288-L332 HydrophobicContact CE1-CB 4.39Å; F288-L332 HydrophobicContact CZ-CB 4.47Å; F308-L332 HydrophobicContact CE2-CD1 4.07Å; F308-L332 HydrophobicContact CE2-CD2 4.24Å; F308-L332 HydrophobicContact CZ-CD1 4.27Å; Y328-L332 HydrophobicContact CE1-CD2 4.14Å; Y328-L332 WeakPolarHBondContact O-CB 3.4Å; Y328-L332 PolarHBondContact O-N 3.22Å; T329-L332 PolarHBondContact O-N 3.36Å; L332-R334 PolarHBondContact O-N 3.42Å; L332-W335 WeakPolarHBondContact O-CB 3.34Å; L332-W335 PolarHBondContact O-N 3.11Å; L332-W335 VanDerWaalsContact O-N 3.16Å; L332-L336 HydrophobicContact CD1-CD1 4.28Å; L332-L336 HydrophobicContact CD1-CG 4.41Å; L332-L336 HydrophobicContact CG-CD1 4.1Å; L332-L336 WeakPolarHBondContact O-CG 3.34Å; L332-L336 PolarHBondContact O-N 3.26Å; L332-M355 HydrophobicContact CD2-SD 4.01Å; L332-M355 HydrophobicContact CG-SD 4.48Å |
| 333 | N | 90 | Very high | 84.9 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 178.4 | -73.8 | -11.2 | 0 | 0 | 0 | 111 | T329 W335 L336 E337 M355 | T329-N333 WeakPolarHBondContact CG2-ND2 3.33Å; T329-N333 VanDerWaalsContact O-CB 3.31Å; T329-N333 WeakPolarHBondContact O-CB 3.45Å; T329-N333 VanDerWaalsContact O-CG 3.27Å; T329-N333 PolarHBondContact O-N 3.41Å; N333-W335 VanDerWaalsContact C-N 3.26Å; N333-W335 PolarHBondContact O-N 3.29Å; N333-L336 PolarHBondContact O-N 2.81Å; N333-L336 VanDerWaalsContact O-N 3.15Å; N333-E337 WeakPolarHBondContact O-CB 3.46Å; N333-E337 WeakPolarHBondContact O-CG 3.45Å; N333-E337 PolarHBondContact O-N 3.13Å; N333-M355 VanDerWaalsContact OD1-CE 3.24Å; N333-M355 WeakPolarHBondContact OD1-CE 3.27Å |
| 334 | R | 91.5 | Very high | 83.1 | Confident | 90 Ų | 90 | 47.9 Ų | 47.9 | 34% | 0.34 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 175.9 | -167.8 | -173.8 | -56.1 | 123.6 | 4.4 | 111.8 | G330 Q331 L332 E337 E338 | G330-R334 VanDerWaalsContact O-CB 3.27Å; G330-R334 WeakPolarHBondContact O-CB 3.5Å; G330-R334 PolarHBondContact O-N 3.48Å; G330-R334 VanDerWaalsContact O-N 3.11Å; Q331-R334 VanDerWaalsContact OE1-NH1 3.11Å; L332-R334 PolarHBondContact O-N 3.42Å; R334-E337 PolarHBondContact O-N 3.17Å; R334-E338 WeakPolarHBondContact CG-OE1 3.36Å; R334-E338 WeakPolarHBondContact O-CB 3.3Å; R334-E338 WeakPolarHBondContact O-CG 3.4Å; R334-E338 PolarHBondContact O-N 3.37Å |
| 335 | W | 91.8 | Very high | 81.3 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177.7 | -166.4 | 6.8 | 0 | 0 | 0 | 112.5 | F288 M291 K292 F295 P302 I305 Q331 L332 N333 V339 | F288-W335 HydrophobicContact CD1-CE3 4.27Å; F288-W335 HydrophobicContact CD1-CZ3 4.44Å; F288-W335 HydrophobicContact CE1-CE3 4.48Å; M291-W335 HydrophobicContact CG-CH2 4.13Å; M291-W335 HydrophobicContact CG-CZ3 4.44Å; M291-W335 HydrophobicContact SD-CH2 4.22Å; M291-W335 HydrophobicContact SD-CZ3 4.09Å; K292-W335 HydrophobicContact CB-CZ2 4.45Å; K292-W335 HydrophobicContact CD-CD2 4.23Å; K292-W335 HydrophobicContact CD-CG 4.3Å; K292-W335 HydrophobicContact CG-CD2 3.66Å; K292-W335 HydrophobicContact CG-CE3 3.88Å; K292-W335 HydrophobicContact CG-CG 4.19Å; K292-W335 HydrophobicContact CG-CH2 4.1Å; K292-W335 HydrophobicContact CG-CZ2 3.89Å; K292-W335 HydrophobicContact CG-CZ3 4.08Å; F295-W335 HydrophobicContact CB-CH2 4.27Å; F295-W335 HydrophobicContact CB-CZ2 3.92Å; F295-W335 AromaticContact CD1-CH2 3.67Å; F295-W335 HydrophobicContact CD1-CH2 3.67Å; F295-W335 AromaticContact CD1-CZ2 3.86Å; F295-W335 HydrophobicContact CD1-CZ2 3.86Å; F295-W335 HydrophobicContact CE1-CH2 4.14Å; F295-W335 AromaticContact CG-CH2 4Å; F295-W335 HydrophobicContact CG-CH2 4Å; F295-W335 HydrophobicContact CG-CZ2 4.11Å; P302-W335 HydrophobicContact CB-CD2 3.66Å; P302-W335 HydrophobicContact CB-CE3 4.11Å; P302-W335 HydrophobicContact CB-CG 3.9Å; P302-W335 HydrophobicContact CB-CZ2 4.24Å; P302-W335 HydrophobicContact CG-CD2 4.16Å; P302-W335 HydrophobicContact CG-CG 3.97Å; I305-W335 HydrophobicContact CD1-CE3 4.47Å; I305-W335 HydrophobicContact CD1-CH2 3.8Å; I305-W335 HydrophobicContact CD1-CZ3 3.66Å; Q331-W335 WeakPolarHBondContact O-CB 3.48Å; Q331-W335 PolarHBondContact O-N 2.88Å; Q331-W335 VanDerWaalsContact O-N 3.15Å; L332-W335 WeakPolarHBondContact O-CB 3.34Å; L332-W335 PolarHBondContact O-N 3.11Å; L332-W335 VanDerWaalsContact O-N 3.16Å; N333-W335 VanDerWaalsContact C-N 3.26Å; N333-W335 PolarHBondContact O-N 3.29Å; W335-V339 WeakPolarHBondContact O-CG2 3.24Å; W335-V339 PolarHBondContact O-N 3.13Å |
| 336 | L | 87.6 | Confident | 79.3 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 175.8 | -70.5 | 165.1 | 0 | 0 | 0 | 111.1 | P302 Q303 L332 N333 V339 E340 M355 | P302-L336 HydrophobicContact CB-CD2 3.97Å; P302-L336 HydrophobicContact CG-CD2 4.08Å; Q303-L336 HydrophobicContact CG-CD2 4.02Å; L332-L336 HydrophobicContact CD1-CD1 4.28Å; L332-L336 HydrophobicContact CD1-CG 4.41Å; L332-L336 HydrophobicContact CG-CD1 4.1Å; L332-L336 WeakPolarHBondContact O-CG 3.34Å; L332-L336 PolarHBondContact O-N 3.26Å; N333-L336 PolarHBondContact O-N 2.81Å; N333-L336 VanDerWaalsContact O-N 3.15Å; L336-V339 PolarHBondContact O-N 3.28Å; L336-E340 PolarHBondContact O-N 3.34Å; L336-M355 HydrophobicContact CD1-CE 3.7Å; L336-M355 HydrophobicContact CD1-SD 3.68Å |
| 337 | E | 84.4 | Confident | 77.2 | Confident | 111 Ų | 111 | 60.3 Ų | 60.3 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 178.9 | -73 | 171.5 | -171.1 | 0 | 0 | 112.8 | N333 R334 V339 E340 I341 | N333-E337 WeakPolarHBondContact O-CB 3.46Å; N333-E337 WeakPolarHBondContact O-CG 3.45Å; N333-E337 PolarHBondContact O-N 3.13Å; R334-E337 PolarHBondContact O-N 3.17Å; E337-V339 PolarHBondContact O-N 3.22Å; E337-E340 PolarHBondContact O-N 3.42Å; E337-I341 VanDerWaalsContact O-CG1 3.31Å; E337-I341 WeakPolarHBondContact O-CG1 3.44Å; E337-I341 PolarHBondContact O-N 2.9Å |
| 338 | E | 83.2 | Confident | 75.1 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.5 | -39.9 | 176.2 | -79.1 | 166.6 | -172.9 | 0 | 0 | 111.5 | R334 | R334-E338 WeakPolarHBondContact CG-OE1 3.36Å; R334-E338 WeakPolarHBondContact O-CB 3.3Å; R334-E338 WeakPolarHBondContact O-CG 3.4Å; R334-E338 PolarHBondContact O-N 3.37Å |
| 339 | V | 72.5 | Confident | 73.1 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -80.8 | -32 | -179.5 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | K301 P302 W335 L336 E337 D342 S343 | K301-V339 HydrophobicContact CD-CG1 4.06Å; P302-V339 HydrophobicContact CG-CB 4.31Å; P302-V339 HydrophobicContact CG-CG2 3.88Å; W335-V339 WeakPolarHBondContact O-CG2 3.24Å; W335-V339 PolarHBondContact O-N 3.13Å; L336-V339 PolarHBondContact O-N 3.28Å; E337-V339 PolarHBondContact O-N 3.22Å; V339-D342 PolarHBondContact O-N 3.17Å; V339-S343 PolarHBondContact O-N 2.98Å |
| 340 | E | 67.6 | Low | 71.1 | Confident | 34 Ų | 34 | 75.1 Ų | 75.1 | 16% | 0.159 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 172.5 | -78.3 | -177.4 | -168.8 | 0 | 0 | 112.5 | L336 E337 D342 S343 I344 Y350 | L336-E340 PolarHBondContact O-N 3.34Å; E337-E340 PolarHBondContact O-N 3.42Å; E340-D342 VanDerWaalsContact C-N 3.3Å; E340-D342 PolarHBondContact O-N 2.86Å; E340-S343 PolarHBondContact O-N 3Å; E340-S343 VanDerWaalsContact O-N 3.13Å; E340-S343 PolarHBondContact O-OG 3.12Å; E340-I344 WeakPolarHBondContact O-CG1 3.25Å; E340-I344 PolarHBondContact O-N 3.37Å; E340-Y350 WeakPolarHBondContact OE2-CE2 3.33Å; E340-Y350 PolarHBondContact OE2-OH 3.01Å |
| 341 | I | 57.6 | Low | 69.4 | Low | 102 Ų | 102 | 75.3 Ų | 75.3 | 52% | 0.523 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 176.9 | -68.4 | 165.1 | 0 | 0 | 0 | 110.8 | E337 S343 N345 | E337-I341 VanDerWaalsContact O-CG1 3.31Å; E337-I341 WeakPolarHBondContact O-CG1 3.44Å; E337-I341 PolarHBondContact O-N 2.9Å; I341-S343 VanDerWaalsContact C-N 3.29Å; I341-S343 PolarHBondContact O-N 2.7Å; I341-N345 PolarHBondContact O-N 2.88Å; I341-N345 PolarHBondContact O-ND2 3.12Å |
| 342 | D | 57.9 | Low | 67.8 | Low | 108 Ų | 108 | 78.9 Ų | 78.9 | 58% | 0.578 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.5 | -34 | 173.8 | -75.3 | -17.9 | 0 | 0 | 0 | 112.2 | V339 E340 S346 | V339-D342 PolarHBondContact O-N 3.17Å; E340-D342 VanDerWaalsContact C-N 3.3Å; E340-D342 PolarHBondContact O-N 2.86Å; D342-S346 PolarHBondContact O-OG 3.15Å |
| 343 | S | 57.8 | Low | 66.7 | Low | 25 Ų | 25 | 80 Ų | 80 | 18% | 0.175 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -77.2 | -38.7 | 179.5 | 78.1 | 0 | 0 | 0 | 0 | 112.7 | V339 E340 I341 N345 S346 K347 T348 | V339-S343 PolarHBondContact O-N 2.98Å; E340-S343 PolarHBondContact O-N 3Å; E340-S343 VanDerWaalsContact O-N 3.13Å; E340-S343 PolarHBondContact O-OG 3.12Å; I341-S343 VanDerWaalsContact C-N 3.29Å; I341-S343 PolarHBondContact O-N 2.7Å; S343-N345 VanDerWaalsContact C-N 3.3Å; S343-N345 PolarHBondContact O-N 3.15Å; S343-S346 WeakPolarHBondContact CA-OG 3.44Å; S343-S346 CarbonylContact O-C 3.52Å; S343-S346 WeakPolarHBondContact O-CA 3.48Å; S343-S346 PolarHBondContact O-N 2.68Å; S343-S346 PolarHBondContact O-OG 3.39Å; S343-K347 PolarHBondContact O-N 3.44Å; S343-T348 WeakPolarHBondContact CA-OG1 3.26Å; S343-T348 VanDerWaalsContact CB-OG1 3.28Å; S343-T348 WeakPolarHBondContact CB-OG1 3.48Å; S343-T348 PolarHBondContact O-N 3.05Å; S343-T348 PolarHBondContact O-OG1 2.94Å |
| 344 | I | 55.3 | Low | 66.3 | Low | 108 Ų | 108 | 79.3 Ų | 79.3 | 55% | 0.554 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.8 | -40 | 176 | -68.2 | 166.1 | 0 | 0 | 0 | 111.4 | E340 S346 K347 | E340-I344 WeakPolarHBondContact O-CG1 3.25Å; E340-I344 PolarHBondContact O-N 3.37Å; I344-S346 PolarHBondContact O-N 3.33Å; I344-S346 VanDerWaalsContact O-N 3.16Å; I344-K347 PolarHBondContact O-N 3.19Å |
| 345 | N | 56 | Low | 66.3 | Low | 136 Ų | 136 | 77.7 Ų | 77.7 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.7 | 174.5 | -74.3 | -33.9 | 0 | 0 | 0 | 112.8 | I341 S343 | I341-N345 PolarHBondContact O-N 2.88Å; I341-N345 PolarHBondContact O-ND2 3.12Å; S343-N345 VanDerWaalsContact C-N 3.3Å; S343-N345 PolarHBondContact O-N 3.15Å |
| 346 | S | 52.7 | Low | 66.4 | Low | 70 Ų | 70 | 77.1 Ų | 77.1 | 49% | 0.49 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 25.8 | 177.4 | 63.1 | 0 | 0 | 0 | 0 | 113.9 | D342 S343 I344 T348 | D342-S346 PolarHBondContact O-OG 3.15Å; S343-S346 WeakPolarHBondContact CA-OG 3.44Å; S343-S346 CarbonylContact O-C 3.52Å; S343-S346 WeakPolarHBondContact O-CA 3.48Å; S343-S346 PolarHBondContact O-N 2.68Å; S343-S346 PolarHBondContact O-OG 3.39Å; I344-S346 PolarHBondContact O-N 3.33Å; I344-S346 VanDerWaalsContact O-N 3.16Å; S346-T348 PolarHBondContact O-N 3.19Å; S346-T348 PolarHBondContact OG-OG1 3.09Å |
| 347 | K | 49 | Very low | 66.9 | Low | 208 Ų | 208 | 76.2 Ų | 76.2 | 90% | 0.904 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 28.3 | 176.7 | -75.6 | -171.9 | 175.4 | -178.4 | 0 | 114.3 | S343 I344 | S343-K347 PolarHBondContact O-N 3.44Å; I344-K347 PolarHBondContact O-N 3.19Å |
| 348 | T | 50.6 | Low | 67.5 | Low | 75 Ų | 75 | 71.1 Ų | 71.1 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 146.1 | 175.5 | 39.7 | 0 | 0 | 0 | 0 | 109.8 | S343 S346 | S343-T348 WeakPolarHBondContact CA-OG1 3.26Å; S343-T348 VanDerWaalsContact CB-OG1 3.28Å; S343-T348 WeakPolarHBondContact CB-OG1 3.48Å; S343-T348 PolarHBondContact O-N 3.05Å; S343-T348 PolarHBondContact O-OG1 2.94Å; S346-T348 PolarHBondContact O-N 3.19Å; S346-T348 PolarHBondContact OG-OG1 3.09Å |
| 349 | E | 54.3 | Low | 68.1 | Low | 143 Ų | 143 | 66.6 Ų | 66.6 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 150.1 | -177.3 | -69.1 | -179 | 160.2 | 0 | 0 | 111.9 | F394 | E349-F394 HydrophobicContact CB-CE2 4.09Å; E349-F394 HydrophobicContact CB-CZ 4.03Å; E349-F394 WeakPolarHBondContact OE2-CZ 3.39Å |
| 350 | Y | 51.7 | Low | 69.2 | Low | 131 Ų | 131 | 65.6 Ų | 65.6 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 136.7 | 176.3 | -165 | -101 | 0 | 0 | 0 | 110.7 | E340 D352 | E340-Y350 WeakPolarHBondContact OE2-CE2 3.33Å; E340-Y350 PolarHBondContact OE2-OH 3.01Å; Y350-D352 WeakPolarHBondContact CE1-OD1 3.23Å |
| 351 | I | 57.7 | Low | 70.5 | Confident | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.138 | 33% | 0.325 | C | S | . | . | trans | -107.2 | 98 | -176.1 | -55.7 | -178.6 | 0 | 0 | 0 | 109.1 | S353 F394 I397 | I351-S353 VanDerWaalsContact C-N 3.32Å; I351-S353 PolarHBondContact O-N 3.39Å; I351-F394 HydrophobicContact CD1-CD2 3.97Å; I351-F394 HydrophobicContact CG1-CD2 3.85Å; I351-F394 HydrophobicContact CG1-CE2 4.03Å; I351-I397 HydrophobicContact CD1-CD1 4.24Å; I351-I397 HydrophobicContact CG2-CB 4.21Å; I351-I397 HydrophobicContact CG2-CD1 3.81Å; I351-I397 HydrophobicContact CG2-CG2 3.51Å | ||
| 352 | D | 60.5 | Low | 72.3 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | trans | -70.7 | 88.2 | 169.7 | -79.8 | -31.1 | 0 | 0 | 0 | 109.5 | Y350 | Y350-D352 WeakPolarHBondContact CE1-OD1 3.23Š| ||
| 353 | S | 71.2 | Confident | 73.8 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -91.1 | 145.3 | -178.9 | -167.4 | 0 | 0 | 0 | 0 | 112.4 | I351 | I351-S353 VanDerWaalsContact C-N 3.32Å; I351-S353 PolarHBondContact O-N 3.39Å |
| 354 | Y | 82.4 | Confident | 74.7 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 15% | 0.153 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -71 | 136.3 | 166 | -63.9 | -75.7 | 0 | 0 | 0 | 109.4 | M1 L400 G402 | M1-Y354 PolarHBondContact N-OH 2.91Å; Y354-L400 HydrophobicContact CD2-CB 4.28Å; Y354-L400 HydrophobicContact CE2-CB 4.42Å; Y354-G402 VanDerWaalsContact CE1-CA 3.44Å; Y354-G402 WeakPolarHBondContact CE1-O 3.01Å; Y354-G402 PolarHBondContact OH-N 3.36Å |
| 355 | M | 89.8 | Confident | 74.9 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 135.4 | 167.9 | -70.9 | -67.9 | 175.1 | 0 | 0 | 109.1 | L332 N333 L336 P418 S420 I423 | L332-M355 HydrophobicContact CD2-SD 4.01Å; L332-M355 HydrophobicContact CG-SD 4.48Å; N333-M355 VanDerWaalsContact OD1-CE 3.24Å; N333-M355 WeakPolarHBondContact OD1-CE 3.27Å; L336-M355 HydrophobicContact CD1-CE 3.7Å; L336-M355 HydrophobicContact CD1-SD 3.68Å; M355-P418 WeakPolarHBondContact CB-O 3.41Å; M355-P418 WeakPolarHBondContact CG-O 3.38Å; M355-S420 WeakPolarHBondContact O-CB 3.31Å; M355-S420 PolarHBondContact O-N 2.88Å; M355-S420 VanDerWaalsContact O-N 3.08Å; M355-S420 PolarHBondContact O-OG 3.29Å; M355-I423 WeakPolarHBondContact O-CD1 3.41Å |
| 356 | P | 95.3 | Very high | 74.5 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -54 | 150.8 | -178.4 | -25.3 | 34.5 | 0 | 0 | 0 | 111.8 | I305 F308 Y419 S420 | I305-P356 HydrophobicContact CB-CG 4.01Å; I305-P356 HydrophobicContact CG2-CB 3.95Å; I305-P356 HydrophobicContact CG2-CG 3.9Å; I305-P356 WeakPolarHBondContact O-CG 3.45Å; F308-P356 HydrophobicContact CD2-CB 3.84Å; F308-P356 HydrophobicContact CD2-CG 4.2Å; F308-P356 HydrophobicContact CE2-CB 4.07Å; F308-P356 HydrophobicContact CE2-CG 3.9Å; P356-Y419 WeakPolarHBondContact O-CA 3.36Å; P356-Y419 WeakPolarHBondContact O-CB 3.48Å; P356-S420 PolarHBondContact O-N 3.12Å |
| 357 | T | 97 | Very high | 73.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 161.6 | 170 | 61.4 | 0 | 0 | 0 | 0 | 110.6 | V306 Q307 F308 I423 F445 S447 | V306-T357 PolarHBondContact O-N 2.86Å; V306-T357 PolarHBondContact O-OG1 2.91Å; Q307-T357 CarbonylContact C-O 3.53Å; Q307-T357 VanDerWaalsContact CA-O 3.28Å; Q307-T357 WeakPolarHBondContact CA-O 3.31Å; Q307-T357 WeakPolarHBondContact CA-OG1 3.33Å; Q307-T357 WeakPolarHBondContact CB-OG1 3.3Å; Q307-T357 VanDerWaalsContact CG-OG1 3.23Å; Q307-T357 WeakPolarHBondContact CG-OG1 3.49Å; Q307-T357 PolarHBondContact NE2-OG1 3.38Å; F308-T357 PolarHBondContact N-O 3.01Å; T357-I423 HydrophobicContact CG2-CB 4.14Å; T357-I423 HydrophobicContact CG2-CD1 4.2Å; T357-I423 HydrophobicContact CG2-CG1 3.86Å; T357-F445 WeakPolarHBondContact CG2-O 3.49Å; T357-S447 VanDerWaalsContact CA-OG 3.26Å; T357-S447 WeakPolarHBondContact CA-OG 3.3Å; T357-S447 WeakPolarHBondContact CB-OG 3.23Å |
| 358 | R | 96.7 | Very high | 73 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 141.5 | -178.1 | -167.9 | -177.4 | 74 | 170.9 | 10.1 | 112.5 | F308 V310 N325 Y419 S447 G448 | F308-R358 HydrophobicContact CB-CG 4.2Å; F308-R358 WeakPolarHBondContact O-CA 3.49Å; V310-R358 HydrophobicContact CG2-CG 4.06Å; N325-R358 VanDerWaalsContact OD1-CZ 3.25Å; N325-R358 PolarHBondContact OD1-NH1 2.81Å; N325-R358 PolarHBondContact OD1-NH2 2.96Å; R358-Y419 HydrophobicContact CB-CD1 3.82Å; R358-Y419 HydrophobicContact CB-CD2 4.12Å; R358-Y419 HydrophobicContact CB-CE1 4.42Å; R358-Y419 HydrophobicContact CB-CG 3.65Å; R358-Y419 VanDerWaalsContact CZ-CE1 3.42Å; R358-Y419 VanDerWaalsContact NE-CD1 3.33Å; R358-Y419 VanDerWaalsContact NE-CE1 3.34Å; R358-Y419 VanDerWaalsContact NH2-CE1 3.27Å; R358-S447 PolarHBondContact N-OG 3.39Å; R358-S447 CarbonylContact O-C 3.49Å; R358-S447 VanDerWaalsContact O-CA 3.27Å; R358-S447 WeakPolarHBondContact O-CA 3.41Å; R358-S447 VanDerWaalsContact O-CB 3.27Å; R358-S447 WeakPolarHBondContact O-CB 3.49Å; R358-S447 PolarHBondContact O-OG 2.92Å; R358-G448 PolarHBondContact O-N 3.32Å |
| 359 | V | 96.3 | Very high | 72.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.7 | 164.7 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | F308 V310 I361 Y506 Q561 | F308-V359 PolarHBondContact O-N 2.92Å; V310-V359 WeakPolarHBondContact CB-O 3.47Å; V310-V359 PolarHBondContact N-O 3.33Å; V359-I361 HydrophobicContact CG1-CG2 4.19Å; V359-Y506 HydrophobicContact CG1-CD2 4.41Å; V359-Y506 HydrophobicContact CG1-CE2 3.7Å; V359-Q561 HydrophobicContact CG1-CB 4.33Å; V359-Q561 HydrophobicContact CG2-CB 3.69Å; V359-Q561 HydrophobicContact CG2-CG 3.57Å |
| 360 | C | 95.7 | Very high | 71.4 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 114 | -177.2 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | V310 F321 P553 | V310-C360 HydrophobicContact CB-CB 4.24Å; V310-C360 WeakPolarHBondContact O-CA 3.36Å; F321-C360 HydrophobicContact CE2-CB 4.44Å; C360-P553 HydrophobicContact CB-CG 4.42Å; C360-P553 WeakPolarHBondContact O-CD 3.24Å; C360-P553 VanDerWaalsContact O-CG 3.31Å; C360-P553 WeakPolarHBondContact O-CG 3.13Å |
| 361 | I | 95.9 | Very high | 70.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 161.6 | -176.5 | 60.7 | 171.5 | 0 | 0 | 0 | 110.6 | V310 V311 L312 V359 V363 Y506 V549 L552 L620 | V310-I361 PolarHBondContact O-N 2.76Å; V311-I361 WeakPolarHBondContact CA-O 3.22Å; V311-I361 HydrophobicContact CB-CG1 4.36Å; V311-I361 HydrophobicContact CG1-CG1 4.27Å; V311-I361 HydrophobicContact CG2-CD1 4.01Å; V311-I361 HydrophobicContact CG2-CG1 3.82Å; L312-I361 PolarHBondContact N-O 3.3Å; V359-I361 HydrophobicContact CG1-CG2 4.19Å; I361-V363 HydrophobicContact CD1-CG2 4.42Å; I361-Y506 HydrophobicContact CD1-CD1 3.79Å; I361-Y506 HydrophobicContact CD1-CE1 3.55Å; I361-Y506 HydrophobicContact CG2-CD1 4.1Å; I361-Y506 HydrophobicContact CG2-CD2 3.98Å; I361-Y506 HydrophobicContact CG2-CE1 4.42Å; I361-Y506 HydrophobicContact CG2-CE2 4.33Å; I361-Y506 HydrophobicContact CG2-CG 3.84Å; I361-V549 HydrophobicContact CD1-CG1 4.13Å; I361-L552 HydrophobicContact CB-CD2 4.25Å; I361-L552 HydrophobicContact CG2-CD2 3.7Å; I361-L620 HydrophobicContact CD1-CD2 3.71Å |
| 362 | C | 94.7 | Very high | 69.1 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.2 | 170 | 163.1 | 0 | 0 | 0 | 0 | 111.8 | L312 Q314 L316 N364 S550 N551 | L312-C362 CarbonylContact O-C 3.53Å; L312-C362 WeakPolarHBondContact O-CA 3.37Å; Q314-C362 VanDerWaalsContact C-SG 3.58Å; Q314-C362 PolarHBondContact O-SG 3Å; L316-C362 HydrophobicContact CD1-CB 3.94Å; L316-C362 HydrophobicContact CG-CB 3.76Å; C362-N364 PolarHBondContact SG-OD1 3.26Å; C362-N364 VanDerWaalsContact SG-OD1 3.36Å; C362-S550 PolarHBondContact O-N 3.13Å; C362-N551 HydrophobicContact CB-CB 3.93Å; C362-N551 WeakPolarHBondContact CB-O 3.38Å; C362-N551 PolarHBondContact N-O 3.23Å; C362-N551 PolarHBondContact O-N 2.82Å |
| 363 | V | 90 | Very high | 67.8 | Low | 8 Ų | 8 | 61.7 Ų | 61.7 | 5% | 0.048 | 34% | 0.343 | C | S | . | . | trans | -124.4 | 103.7 | 168.2 | -176 | 0 | 0 | 0 | 0 | 107.1 | V311 L312 S313 I361 S365 V549 L620 P621 | V311-V363 HydrophobicContact CG1-CB 4.25Å; V311-V363 HydrophobicContact CG1-CG2 4.04Å; L312-V363 PolarHBondContact O-N 3.49Å; S313-V363 VanDerWaalsContact CA-O 3.26Å; S313-V363 WeakPolarHBondContact CA-O 3.24Å; I361-V363 HydrophobicContact CD1-CG2 4.42Å; V363-S365 PolarHBondContact O-N 3.34Å; V363-V549 HydrophobicContact CG2-CB 4.37Å; V363-V549 HydrophobicContact CG2-CG1 4.2Å; V363-L620 HydrophobicContact CG2-CD1 4.15Å; V363-P621 WeakPolarHBondContact CG1-O 3.39Å | ||
| 364 | N | 75.7 | Confident | 66.4 | Low | 64 Ų | 64 | 65.1 Ų | 65.1 | 34% | 0.342 | 37% | 0.367 | S | S | . | . | trans | -54.3 | 140.2 | 175.5 | -70.8 | -6.7 | 0 | 0 | 0 | 109.2 | C362 L366 S550 | C362-N364 PolarHBondContact SG-OD1 3.26Å; C362-N364 VanDerWaalsContact SG-OD1 3.36Å; N364-L366 VanDerWaalsContact C-N 3.33Å; N364-L366 PolarHBondContact O-N 2.91Å; N364-S550 WeakPolarHBondContact CB-OG 3.4Å; N364-S550 PolarHBondContact N-OG 3.32Å | ||
| 365 | S | 59.4 | Low | 65 | Low | 64 Ų | 64 | 70.2 Ų | 70.2 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | trans | -60.8 | 108 | 147.7 | -174.3 | 0 | 0 | 0 | 0 | 104.6 | V363 S367 | V363-S365 PolarHBondContact O-N 3.34Å; S365-S367 PolarHBondContact O-N 3.5Å | ||
| 366 | L | 47.4 | Very low | 63.7 | Low | 72 Ų | 72 | 72.7 Ų | 72.7 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | trans | -71.2 | 65.3 | 174.8 | -85.2 | 103.8 | 0 | 0 | 0 | 109.1 | N364 N368 Y597 V623 | N364-L366 VanDerWaalsContact C-N 3.33Å; N364-L366 PolarHBondContact O-N 2.91Å; L366-N368 PolarHBondContact O-N 2.93Å; L366-Y597 HydrophobicContact CB-CD1 4.21Å; L366-Y597 HydrophobicContact CB-CE1 4.01Å; L366-V623 HydrophobicContact CD1-CG1 4.32Å; L366-V623 HydrophobicContact CD1-CG2 4.07Å | ||
| 367 | S | 38.8 | Very low | 63.1 | Low | 72 Ų | 72 | 76 Ų | 76 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | trans | -83.5 | 64 | 161.9 | 59.2 | 0 | 0 | 0 | 0 | 108.7 | S365 | S365-S367 PolarHBondContact O-N 3.5Š| ||
| 368 | N | 32.9 | Very low | 62.7 | Low | 138 Ų | 138 | 76.2 Ų | 76.2 | 74% | 0.738 | 44% | 0.436 | S | S | * | . | trans | -137.5 | 72.1 | 167.1 | -94.6 | -25.6 | 0 | 0 | 0 | 108.6 | L366 | L366-N368 PolarHBondContact O-N 2.93Š| ||
| 369 | E | 35.2 | Very low | 62.5 | Low | 178 Ų | 178 | 78.4 Ų | 78.4 | 83% | 0.832 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -174.3 | 109.5 | 136.4 | -98.8 | 170.5 | -157 | 0 | 0 | 108 | ||
| 370 | T | 35.6 | Very low | 62.4 | Low | 140 Ų | 140 | 78.5 Ų | 78.5 | 86% | 0.859 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 71.4 | 53.7 | 161.1 | 54.5 | 0 | 0 | 0 | 0 | 120.9 | ||
| 371 | V | 29.8 | Very low | 62.5 | Low | 131 Ų | 131 | 78.7 Ų | 78.7 | 79% | 0.794 | 45% | 0.452 | S | S | * | . | trans | -150 | 136 | 141.5 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | C373 | V371-C373 PolarHBondContact O-N 3.27Š| ||
| 372 | H | 30.6 | Very low | 62.5 | Low | 202 Ų | 202 | 78.9 Ų | 78.9 | 94% | 0.935 | 45% | 0.453 | S | S | * | . | trans | -62.2 | 65.8 | 171.2 | -74 | -77.3 | 0 | 0 | 0 | 112.5 | ||||
| 373 | C | 34.3 | Very low | 62.7 | Low | 94 Ų | 94 | 78.9 Ų | 78.9 | 64% | 0.635 | 45% | 0.453 | S | S | * | . | trans | -86.6 | 128.8 | 157.1 | -90.4 | 0 | 0 | 0 | 0 | 107.4 | V371 D375 | V371-C373 PolarHBondContact O-N 3.27Å; C373-D375 PolarHBondContact O-N 3.16Å | ||
| 374 | S | 42.1 | Very low | 63 | Low | 99 Ų | 99 | 78.5 Ų | 78.5 | 69% | 0.692 | 45% | 0.45 | S | S | * | . | trans | -51.1 | 134 | 174.3 | 43.7 | 0 | 0 | 0 | 0 | 111.5 | E376 | S374-E376 PolarHBondContact O-N 2.91Š| ||
| 375 | D | 51.5 | Low | 64 | Low | 146 Ų | 146 | 75.4 Ų | 75.4 | 78% | 0.781 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 15.7 | -178.4 | -90.9 | -33.9 | 0 | 0 | 0 | 116.3 | C373 | C373-D375 PolarHBondContact O-N 3.16Š|
| 376 | E | 64 | Low | 65.7 | Low | 107 Ų | 107 | 72.4 Ų | 72.4 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -7.3 | -165.5 | -51.3 | -171.1 | 146.3 | 0 | 0 | 116.3 | E275 S374 F378 | E275-E376 CarbonylContact C-O 3.18Å; E275-E376 WeakPolarHBondContact CA-O 3.23Å; E275-E376 CarbonylContact O-C 3.58Å; E275-E376 WeakPolarHBondContact O-CB 3.25Å; S374-E376 PolarHBondContact O-N 2.91Å; E376-F378 PolarHBondContact O-N 3.46Å |
| 377 | A | 81.5 | Confident | 67.9 | Low | 75 Ų | 75 | 69.1 Ų | 69.1 | 62% | 0.62 | 40% | 0.395 | S | S | * | . | trans | -77.6 | 124.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G274 | G274-A377 CarbonylContact O-C 3.59Å; G274-A377 VanDerWaalsContact O-CA 3.31Å; G274-A377 WeakPolarHBondContact O-CA 3.34Å | ||
| 378 | F | 89.2 | Confident | 70.3 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 1% | 0.013 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 165.5 | 177.1 | 71.4 | -80.7 | 0 | 0 | 0 | 112 | T273 G274 K276 E279 I280 A283 S313 Q314 E376 I380 | T273-F378 WeakPolarHBondContact CA-O 3.38Å; G274-F378 VanDerWaalsContact C-CE1 3.42Å; G274-F378 VanDerWaalsContact CA-CE1 3.4Å; G274-F378 PolarHBondContact N-O 3.05Å; G274-F378 VanDerWaalsContact N-O 3.09Å; G274-F378 VanDerWaalsContact O-CD1 3.3Å; G274-F378 WeakPolarHBondContact O-CD1 3.39Å; G274-F378 WeakPolarHBondContact O-CE1 3.11Å; G274-F378 PolarHBondContact O-N 3.48Å; K276-F378 WeakPolarHBondContact O-CE1 3.28Å; E279-F378 HydrophobicContact CB-CE1 4.44Å; E279-F378 HydrophobicContact CB-CZ 4.34Å; I280-F378 HydrophobicContact CB-CE2 4.41Å; I280-F378 HydrophobicContact CB-CZ 4.35Å; I280-F378 HydrophobicContact CG1-CD2 4.39Å; I280-F378 HydrophobicContact CG1-CE1 4.38Å; I280-F378 HydrophobicContact CG1-CE2 3.65Å; I280-F378 HydrophobicContact CG1-CZ 3.66Å; A283-F378 HydrophobicContact CB-CE2 3.68Å; A283-F378 HydrophobicContact CB-CZ 3.89Å; S313-F378 WeakPolarHBondContact OG-CA 3.45Å; S313-F378 WeakPolarHBondContact OG-CB 3.44Å; Q314-F378 HydrophobicContact CB-CB 4.1Å; Q314-F378 HydrophobicContact CB-CG 4.35Å; E376-F378 PolarHBondContact O-N 3.46Å; F378-I380 HydrophobicContact CD2-CG1 4.17Å; F378-I380 HydrophobicContact CE2-CD1 4.07Å; F378-I380 HydrophobicContact CE2-CG1 3.98Å |
| 379 | T | 92.3 | Very high | 72.6 | Confident | 49 Ų | 49 | 62 Ų | 62 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.8 | 179.5 | -56.2 | 0 | 0 | 0 | 0 | 109.7 | Y271 G272 T273 S313 | Y271-T379 HydrophobicContact CD1-CG2 3.64Å; Y271-T379 HydrophobicContact CE1-CG2 4.48Å; Y271-T379 HydrophobicContact CG-CG2 4.4Å; G272-T379 CarbonylContact O-C 2.98Å; G272-T379 WeakPolarHBondContact O-CA 3.34Å; T273-T379 HydrophobicContact CG2-CG2 4.29Å; S313-T379 PolarHBondContact N-O 3.36Å; S313-T379 PolarHBondContact OG-N 3.47Å |
| 380 | I | 94.8 | Very high | 74.6 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123 | 168.7 | -56.5 | -175.2 | 0 | 0 | 0 | 106.6 | Y271 G272 I280 A283 T284 L312 F324 F378 | Y271-I380 CarbonylContact C-O 3.53Å; Y271-I380 VanDerWaalsContact CA-O 3.27Å; Y271-I380 WeakPolarHBondContact CA-O 3.08Å; G272-I380 PolarHBondContact N-O 3.07Å; G272-I380 PolarHBondContact O-N 2.93Å; I280-I380 HydrophobicContact CG2-CD1 4.22Å; A283-I380 HydrophobicContact CB-CD1 3.94Å; A283-I380 HydrophobicContact CB-CG1 4.27Å; T284-I380 WeakPolarHBondContact OG1-CD1 3.13Å; L312-I380 HydrophobicContact CD2-CD1 4.49Å; L312-I380 HydrophobicContact CD2-CG1 4.48Å; L312-I380 HydrophobicContact CG-CG1 4.21Å; F324-I380 HydrophobicContact CD2-CD1 4.3Å; F324-I380 HydrophobicContact CE2-CG2 4.25Å; F378-I380 HydrophobicContact CD2-CG1 4.17Å; F378-I380 HydrophobicContact CE2-CD1 4.07Å; F378-I380 HydrophobicContact CE2-CG1 3.98Å |
| 381 | S | 96.1 | Very high | 76.4 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.6 | 175.6 | 177.4 | 0 | 0 | 0 | 0 | 109 | N269 Y270 V310 V311 | N269-S381 WeakPolarHBondContact CB-OG 3.22Å; N269-S381 PolarHBondContact ND2-OG 3.01Å; Y270-S381 CarbonylContact O-C 3.54Å; Y270-S381 WeakPolarHBondContact O-CA 3.26Å; V310-S381 WeakPolarHBondContact CA-O 3.44Å; V311-S381 PolarHBondContact N-O 3.38Å; V311-S381 PolarHBondContact O-N 3.07Å |
| 382 | L | 97.3 | Very high | 78.9 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.9 | 178.9 | -171.4 | 68.4 | 0 | 0 | 0 | 108.8 | Y270 A287 F288 M291 F308 V310 | Y270-L382 WeakPolarHBondContact CD2-O 3.43Å; Y270-L382 PolarHBondContact N-O 3.5Å; Y270-L382 PolarHBondContact O-N 3.31Å; A287-L382 HydrophobicContact CB-CB 4.11Å; F288-L382 HydrophobicContact CD1-CD2 4.01Å; F288-L382 HydrophobicContact CD2-CD2 3.91Å; F288-L382 HydrophobicContact CE1-CD2 4.05Å; F288-L382 HydrophobicContact CE2-CD2 3.94Å; F288-L382 HydrophobicContact CG-CD2 3.95Å; F288-L382 HydrophobicContact CZ-CD2 4.02Å; M291-L382 HydrophobicContact CE-CB 4.38Å; M291-L382 HydrophobicContact CE-CD2 3.75Å; M291-L382 HydrophobicContact CE-CG 3.65Å; M291-L382 HydrophobicContact SD-CD2 4.13Å; F308-L382 HydrophobicContact CD1-CD1 3.52Å; F308-L382 HydrophobicContact CD1-CD2 4.4Å; F308-L382 HydrophobicContact CD1-CG 4Å; F308-L382 HydrophobicContact CE1-CD1 4.03Å; F308-L382 HydrophobicContact CE1-CD2 4.08Å; F308-L382 HydrophobicContact CE1-CG 4.16Å; F308-L382 HydrophobicContact CG-CD1 4.33Å; V310-L382 HydrophobicContact CG2-CD1 3.79Å |
| 383 | S | 97.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 158.8 | 169.2 | -67.9 | 0 | 0 | 0 | 0 | 110 | S268 N269 F308 I309 F618 | S268-S383 PolarHBondContact O-OG 2.9Å; N269-S383 VanDerWaalsContact CA-OG 3.27Å; N269-S383 WeakPolarHBondContact CA-OG 3.35Å; N269-S383 PolarHBondContact ND2-OG 3.45Å; F308-S383 CarbonylContact C-O 3.58Å; F308-S383 WeakPolarHBondContact CA-O 3.43Å; I309-S383 PolarHBondContact N-O 3.43Å; I309-S383 PolarHBondContact O-N 2.94Å; S383-F618 WeakPolarHBondContact OG-CD2 3.47Å |
| 384 | A | 97.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T267 M291 F295 I305 Q307 F308 V386 | T267-A384 HydrophobicContact CG2-CB 4.22Å; T267-A384 WeakPolarHBondContact CG2-O 3.4Å; T267-A384 PolarHBondContact N-O 3.13Å; T267-A384 PolarHBondContact OG1-N 3.04Å; T267-A384 PolarHBondContact OG1-O 2.85Å; M291-A384 HydrophobicContact CE-CB 3.87Å; M291-A384 HydrophobicContact SD-CB 4.25Å; F295-A384 HydrophobicContact CZ-CB 4.39Å; I305-A384 HydrophobicContact CG2-CB 4.02Å; Q307-A384 CarbonylContact O-C 3.56Å; Q307-A384 VanDerWaalsContact O-CA 3.25Å; Q307-A384 WeakPolarHBondContact O-CA 3.16Å; F308-A384 HydrophobicContact CD1-CB 4.29Å; F308-A384 HydrophobicContact CE1-CB 4.35Å; A384-V386 HydrophobicContact CB-CG1 3.95Å |
| 385 | I | 96.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.9 | 159.4 | -50 | -173 | 0 | 0 | 0 | 107.1 | M264 Y265 V266 V306 Q307 F445 I563 | M264-I385 HydrophobicContact CE-CG2 3.68Å; Y265-I385 CarbonylContact O-C 3.57Å; Y265-I385 VanDerWaalsContact O-CA 3.27Å; Y265-I385 WeakPolarHBondContact O-CA 3.36Å; V266-I385 HydrophobicContact CG2-CD1 4.31Å; V266-I385 HydrophobicContact CG2-CG1 4.04Å; V266-I385 HydrophobicContact CG2-CG2 4.42Å; V306-I385 PolarHBondContact N-O 3.46Å; Q307-I385 HydrophobicContact CB-CB 4.06Å; Q307-I385 HydrophobicContact CB-CD1 4.14Å; Q307-I385 HydrophobicContact CB-CG1 4.07Å; Q307-I385 HydrophobicContact CG-CD1 4.5Å; Q307-I385 PolarHBondContact N-O 3.43Å; Q307-I385 PolarHBondContact O-N 2.78Å; I385-F445 HydrophobicContact CB-CE1 4.46Å; I385-F445 HydrophobicContact CD1-CD1 3.8Å; I385-F445 HydrophobicContact CD1-CE1 3.73Å; I385-F445 HydrophobicContact CG2-CD1 4.44Å; I385-F445 HydrophobicContact CG2-CE1 3.73Å; I385-F445 HydrophobicContact CG2-CZ 4.02Å; I385-I563 HydrophobicContact CD1-CD1 4.09Å |
| 386 | V | 95.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.7 | -173.2 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | M264 Y265 T267 F295 Q304 I305 A384 | M264-V386 CarbonylContact C-O 3.54Å; M264-V386 WeakPolarHBondContact CA-O 3.48Å; Y265-V386 PolarHBondContact N-O 3.46Å; Y265-V386 PolarHBondContact O-N 2.88Å; T267-V386 HydrophobicContact CG2-CG1 4.41Å; T267-V386 HydrophobicContact CG2-CG2 4.48Å; F295-V386 HydrophobicContact CE1-CG1 3.71Å; F295-V386 HydrophobicContact CZ-CG1 3.55Å; Q304-V386 WeakPolarHBondContact O-CA 3.39Å; I305-V386 HydrophobicContact CB-CG1 4.49Å; I305-V386 HydrophobicContact CG1-CG1 3.96Å; A384-V386 HydrophobicContact CB-CG1 3.95Å |
| 387 | Y | 92.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129 | 167.1 | 177.4 | -99.9 | 0 | 0 | 0 | 111.2 | G263 M264 Q304 T391 W396 | G263-Y387 CarbonylContact O-C 3.54Å; G263-Y387 WeakPolarHBondContact O-CA 3.24Å; M264-Y387 HydrophobicContact SD-CD2 3.88Å; M264-Y387 HydrophobicContact SD-CG 4.4Å; Q304-Y387 WeakPolarHBondContact CB-O 3.28Å; Q304-Y387 PolarHBondContact NE2-O 3.44Å; Q304-Y387 PolarHBondContact O-N 3.3Å; Y387-T391 WeakPolarHBondContact OH-CB 3.48Å; Y387-T391 PolarHBondContact OH-OG1 3.27Å; Y387-T391 VanDerWaalsContact OH-OG1 3.12Å; Y387-W396 AromaticContact CD1-CD1 3.77Å; Y387-W396 AromaticContact CD1-CD2 3.52Å; Y387-W396 HydrophobicContact CD1-CD2 3.52Å; Y387-W396 AromaticContact CD1-CE2 3.43Å; Y387-W396 VanDerWaalsContact CD1-CE2 3.43Å; Y387-W396 HydrophobicContact CD1-CE3 4.09Å; Y387-W396 AromaticContact CD1-CG 3.77Å; Y387-W396 HydrophobicContact CD1-CG 3.77Å; Y387-W396 AromaticContact CD1-CZ2 3.97Å; Y387-W396 HydrophobicContact CD1-CZ2 3.97Å; Y387-W396 AromaticContact CD1-NE1 3.54Å; Y387-W396 AromaticContact CD2-CE2 3.83Å; Y387-W396 HydrophobicContact CD2-CZ2 4.14Å; Y387-W396 AromaticContact CD2-NE1 3.44Å; Y387-W396 HydrophobicContact CE1-CB 4.31Å; Y387-W396 AromaticContact CE1-CD1 3.52Å; Y387-W396 AromaticContact CE1-CD2 3.96Å; Y387-W396 HydrophobicContact CE1-CD2 3.96Å; Y387-W396 AromaticContact CE1-CG 3.66Å; Y387-W396 HydrophobicContact CE1-CG 3.66Å; Y387-W396 AromaticContact CE1-NE1 3.72Å; Y387-W396 AromaticContact CE2-CD1 3.93Å; Y387-W396 AromaticContact CE2-NE1 3.61Å; Y387-W396 AromaticContact CG-CD2 3.92Å; Y387-W396 HydrophobicContact CG-CD2 3.92Å; Y387-W396 AromaticContact CG-CE2 3.3Å; Y387-W396 HydrophobicContact CG-CG 4.39Å; Y387-W396 HydrophobicContact CG-CH2 4.23Å; Y387-W396 AromaticContact CG-CZ2 3.49Å; Y387-W396 HydrophobicContact CG-CZ2 3.49Å; Y387-W396 VanDerWaalsContact CG-CZ2 3.49Å; Y387-W396 AromaticContact CG-NE1 3.39Å; Y387-W396 AromaticContact CZ-CD1 3.59Å; Y387-W396 AromaticContact CZ-NE1 3.74Å |
| 388 | Y | 89.2 | Confident | 87.9 | Confident | 42 Ų | 42 | 35.2 Ų | 35.2 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | trans | -142.1 | 71.2 | 178.1 | -169.4 | -107.5 | 0 | 0 | 0 | 109.9 | R250 I253 G263 Y265 I300 | R250-Y388 HydrophobicContact CB-CE1 4.25Å; R250-Y388 HydrophobicContact CG-CE1 4.45Å; R250-Y388 VanDerWaalsContact NH1-CE1 3.3Å; I253-Y388 HydrophobicContact CB-CD1 4.01Å; I253-Y388 HydrophobicContact CB-CE1 3.95Å; I253-Y388 VanDerWaalsContact CD1-CB 3.49Å; I253-Y388 HydrophobicContact CD1-CD1 3.44Å; I253-Y388 VanDerWaalsContact CD1-CD1 3.44Å; I253-Y388 HydrophobicContact CD1-CD2 4.16Å; I253-Y388 HydrophobicContact CD1-CE1 4.14Å; I253-Y388 HydrophobicContact CD1-CG 3.44Å; I253-Y388 VanDerWaalsContact CD1-CG 3.44Å; I253-Y388 HydrophobicContact CG1-CD1 4.32Å; I253-Y388 HydrophobicContact CG2-CD1 3.91Å; I253-Y388 HydrophobicContact CG2-CE1 3.98Å; G263-Y388 PolarHBondContact O-N 3.16Å; Y265-Y388 HydrophobicContact CE2-CD1 4.3Å; I300-Y388 HydrophobicContact CD1-CD2 3.97Å; I300-Y388 HydrophobicContact CD1-CE2 4.28Å; I300-Y388 HydrophobicContact CG1-CD2 3.86Å; I300-Y388 HydrophobicContact CG1-CE2 3.95Å | ||
| 389 | G | 82.5 | Confident | 87.7 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -108.6 | -166 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R250 | R250-G389 PolarHBondContact NH1-O 2.85Å; R250-G389 VanDerWaalsContact NH1-O 3.11Å; R250-G389 PolarHBondContact NH2-O 2.87Å |
| 390 | D | 75.7 | Confident | 87.5 | Confident | 131 Ų | 131 | 35.5 Ų | 35.5 | 70% | 0.701 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -89.4 | -14.2 | 177.3 | -64.8 | -54.1 | 0 | 0 | 0 | 113.3 | R250 | R250-D390 IonicContact CZ-OD1 3.67Å; R250-D390 IonicContact NH2-OD1 2.62Å; R250-D390 PolarHBondContact NH2-OD1 2.9Å |
| 391 | T | 74.1 | Confident | 87.2 | Confident | 54 Ų | 54 | 42 Ų | 42 | 33% | 0.331 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -67.4 | 144.8 | -178.4 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | Y387 V393 E395 W396 | Y387-T391 WeakPolarHBondContact OH-CB 3.48Å; Y387-T391 PolarHBondContact OH-OG1 3.27Å; Y387-T391 VanDerWaalsContact OH-OG1 3.12Å; T391-V393 PolarHBondContact O-N 3.31Å; T391-E395 HydrophobicContact CG2-CB 4.38Å; T391-W396 HydrophobicContact CG2-CB 4.05Å |
| 392 | N | 81.7 | Confident | 87 | Confident | 95 Ų | 95 | 42 Ų | 42 | 51% | 0.508 | 22% | 0.217 | S | C | . | . | trans | -56.9 | 130 | 171.4 | -175.6 | -60.2 | 0 | 0 | 0 | 110 | F394 E395 W396 | N392-F394 VanDerWaalsContact C-N 3.26Å; N392-F394 PolarHBondContact O-N 3.48Å; N392-F394 VanDerWaalsContact OD1-CB 3.29Å; N392-F394 WeakPolarHBondContact OD1-CB 3.34Å; N392-F394 PolarHBondContact OD1-N 3.22Å; N392-E395 HydrophobicContact CB-CB 4.21Å; N392-E395 HydrophobicContact CB-CG 4.08Å; N392-E395 PolarHBondContact O-N 2.89Å; N392-W396 WeakPolarHBondContact O-CB 3.39Å; N392-W396 PolarHBondContact O-N 3.09Å | ||
| 393 | V | 80.1 | Confident | 86.7 | Confident | 45 Ų | 45 | 41.8 Ų | 41.8 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.9 | -38.7 | -176.8 | 175 | 0 | 0 | 0 | 0 | 112 | Q304 T391 W396 I397 | Q304-V393 HydrophobicContact CG-CG1 4.09Å; Q304-V393 HydrophobicContact CG-CG2 4.27Å; T391-V393 PolarHBondContact O-N 3.31Å; V393-W396 PolarHBondContact O-N 2.95Å; V393-I397 HydrophobicContact CG1-CD1 3.66Å; V393-I397 HydrophobicContact CG1-CG1 4.32Å; V393-I397 WeakPolarHBondContact O-CD1 3.31Å; V393-I397 WeakPolarHBondContact O-CG1 3.17Å; V393-I397 PolarHBondContact O-N 3.26Å |
| 394 | F | 80.5 | Confident | 86.4 | Confident | 60 Ų | 60 | 44.5 Ų | 44.5 | 26% | 0.263 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.5 | -46.8 | 178.7 | -179.1 | -98.6 | 0 | 0 | 0 | 112.3 | E349 I351 N392 W396 I397 N398 | E349-F394 HydrophobicContact CB-CE2 4.09Å; E349-F394 HydrophobicContact CB-CZ 4.03Å; E349-F394 WeakPolarHBondContact OE2-CZ 3.39Å; I351-F394 HydrophobicContact CD1-CD2 3.97Å; I351-F394 HydrophobicContact CG1-CD2 3.85Å; I351-F394 HydrophobicContact CG1-CE2 4.03Å; N392-F394 VanDerWaalsContact C-N 3.26Å; N392-F394 PolarHBondContact O-N 3.48Å; N392-F394 VanDerWaalsContact OD1-CB 3.29Å; N392-F394 WeakPolarHBondContact OD1-CB 3.34Å; N392-F394 PolarHBondContact OD1-N 3.22Å; F394-W396 VanDerWaalsContact C-N 3.3Å; F394-W396 PolarHBondContact O-N 3.07Å; F394-I397 PolarHBondContact O-N 3.03Å; F394-N398 WeakPolarHBondContact CD1-ND2 3.38Å; F394-N398 WeakPolarHBondContact CE1-ND2 3.35Å; F394-N398 VanDerWaalsContact CZ-ND2 3.26Å; F394-N398 WeakPolarHBondContact CZ-ND2 3.48Å; F394-N398 PolarHBondContact O-N 3.28Å; F394-N398 PolarHBondContact O-ND2 3.29Å |
| 395 | E | 81.4 | Confident | 86.1 | Confident | 111 Ų | 111 | 44.5 Ų | 44.5 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.5 | -66.9 | 179.5 | 164.6 | 0 | 0 | 111.1 | T391 N392 N398 S399 | T391-E395 HydrophobicContact CG2-CB 4.38Å; N392-E395 HydrophobicContact CB-CB 4.21Å; N392-E395 HydrophobicContact CB-CG 4.08Å; N392-E395 PolarHBondContact O-N 2.89Å; E395-N398 PolarHBondContact O-N 2.65Å; E395-S399 WeakPolarHBondContact O-CB 3.45Å; E395-S399 PolarHBondContact O-N 3.03Å |
| 396 | W | 84.1 | Confident | 85.7 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | 177.2 | 179.9 | 79.3 | 0 | 0 | 0 | 111.7 | Q303 Q304 V306 Y387 T391 N392 V393 F394 N398 S399 L400 V425 | Q303-W396 WeakPolarHBondContact O-CZ3 3.41Å; Q304-W396 HydrophobicContact CB-CZ3 4.5Å; V306-W396 HydrophobicContact CG2-CH2 3.76Å; V306-W396 HydrophobicContact CG2-CZ2 4.01Å; Y387-W396 AromaticContact CD1-CD1 3.77Å; Y387-W396 AromaticContact CD1-CD2 3.52Å; Y387-W396 HydrophobicContact CD1-CD2 3.52Å; Y387-W396 AromaticContact CD1-CE2 3.43Å; Y387-W396 VanDerWaalsContact CD1-CE2 3.43Å; Y387-W396 HydrophobicContact CD1-CE3 4.09Å; Y387-W396 AromaticContact CD1-CG 3.77Å; Y387-W396 HydrophobicContact CD1-CG 3.77Å; Y387-W396 AromaticContact CD1-CZ2 3.97Å; Y387-W396 HydrophobicContact CD1-CZ2 3.97Å; Y387-W396 AromaticContact CD1-NE1 3.54Å; Y387-W396 AromaticContact CD2-CE2 3.83Å; Y387-W396 HydrophobicContact CD2-CZ2 4.14Å; Y387-W396 AromaticContact CD2-NE1 3.44Å; Y387-W396 HydrophobicContact CE1-CB 4.31Å; Y387-W396 AromaticContact CE1-CD1 3.52Å; Y387-W396 AromaticContact CE1-CD2 3.96Å; Y387-W396 HydrophobicContact CE1-CD2 3.96Å; Y387-W396 AromaticContact CE1-CG 3.66Å; Y387-W396 HydrophobicContact CE1-CG 3.66Å; Y387-W396 AromaticContact CE1-NE1 3.72Å; Y387-W396 AromaticContact CE2-CD1 3.93Å; Y387-W396 AromaticContact CE2-NE1 3.61Å; Y387-W396 AromaticContact CG-CD2 3.92Å; Y387-W396 HydrophobicContact CG-CD2 3.92Å; Y387-W396 AromaticContact CG-CE2 3.3Å; Y387-W396 HydrophobicContact CG-CG 4.39Å; Y387-W396 HydrophobicContact CG-CH2 4.23Å; Y387-W396 AromaticContact CG-CZ2 3.49Å; Y387-W396 HydrophobicContact CG-CZ2 3.49Å; Y387-W396 VanDerWaalsContact CG-CZ2 3.49Å; Y387-W396 AromaticContact CG-NE1 3.39Å; Y387-W396 AromaticContact CZ-CD1 3.59Å; Y387-W396 AromaticContact CZ-NE1 3.74Å; T391-W396 HydrophobicContact CG2-CB 4.05Å; N392-W396 WeakPolarHBondContact O-CB 3.39Å; N392-W396 PolarHBondContact O-N 3.09Å; V393-W396 PolarHBondContact O-N 2.95Å; F394-W396 VanDerWaalsContact C-N 3.3Å; F394-W396 PolarHBondContact O-N 3.07Å; W396-N398 PolarHBondContact O-N 3.4Å; W396-S399 WeakPolarHBondContact O-CB 3.3Å; W396-S399 PolarHBondContact O-N 3.36Å; W396-S399 VanDerWaalsContact O-N 3.09Å; W396-S399 PolarHBondContact O-OG 3.24Å; W396-L400 HydrophobicContact CD2-CD2 4.44Å; W396-L400 HydrophobicContact CE3-CD1 4.47Å; W396-L400 HydrophobicContact CH2-CD1 3.96Å; W396-L400 HydrophobicContact CH2-CD2 4.09Å; W396-L400 HydrophobicContact CZ2-CD1 4.45Å; W396-L400 HydrophobicContact CZ2-CD2 3.73Å; W396-L400 HydrophobicContact CZ3-CD1 3.96Å; W396-L400 PolarHBondContact O-N 2.83Å; W396-V425 HydrophobicContact CZ2-CG1 3.62Å; W396-V425 HydrophobicContact CZ2-CG2 4.09Å |
| 397 | I | 84.1 | Confident | 85.6 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 177.5 | -66.7 | 161.2 | 0 | 0 | 0 | 111.3 | Q303 I351 V393 F394 S399 L400 | Q303-I397 HydrophobicContact CB-CD1 3.44Å; Q303-I397 VanDerWaalsContact CB-CD1 3.44Å; Q303-I397 HydrophobicContact CB-CG1 4.25Å; Q303-I397 HydrophobicContact CG-CD1 4.06Å; I351-I397 HydrophobicContact CD1-CD1 4.24Å; I351-I397 HydrophobicContact CG2-CB 4.21Å; I351-I397 HydrophobicContact CG2-CD1 3.81Å; I351-I397 HydrophobicContact CG2-CG2 3.51Å; V393-I397 HydrophobicContact CG1-CD1 3.66Å; V393-I397 HydrophobicContact CG1-CG1 4.32Å; V393-I397 WeakPolarHBondContact O-CD1 3.31Å; V393-I397 WeakPolarHBondContact O-CG1 3.17Å; V393-I397 PolarHBondContact O-N 3.26Å; F394-I397 PolarHBondContact O-N 3.03Å; I397-S399 PolarHBondContact O-N 2.97Å; I397-L400 VanDerWaalsContact O-CB 3.31Å; I397-L400 WeakPolarHBondContact O-CB 3.47Å; I397-L400 WeakPolarHBondContact O-CG 3.03Å; I397-L400 PolarHBondContact O-N 3.2Å |
| 398 | N | 83 | Confident | 85.8 | Confident | 102 Ų | 102 | 46.9 Ų | 46.9 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -20.7 | 177.7 | -74.7 | -34.7 | 0 | 0 | 0 | 113.3 | F394 E395 W396 | F394-N398 WeakPolarHBondContact CD1-ND2 3.38Å; F394-N398 WeakPolarHBondContact CE1-ND2 3.35Å; F394-N398 VanDerWaalsContact CZ-ND2 3.26Å; F394-N398 WeakPolarHBondContact CZ-ND2 3.48Å; F394-N398 PolarHBondContact O-N 3.28Å; F394-N398 PolarHBondContact O-ND2 3.29Å; E395-N398 PolarHBondContact O-N 2.65Å; W396-N398 PolarHBondContact O-N 3.4Å |
| 399 | S | 84.8 | Confident | 86.1 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -83.8 | -12 | 175.6 | 78.8 | 0 | 0 | 0 | 0 | 114.1 | E395 W396 I397 P426 | E395-S399 WeakPolarHBondContact O-CB 3.45Å; E395-S399 PolarHBondContact O-N 3.03Å; W396-S399 WeakPolarHBondContact O-CB 3.3Å; W396-S399 PolarHBondContact O-N 3.36Å; W396-S399 VanDerWaalsContact O-N 3.09Å; W396-S399 PolarHBondContact O-OG 3.24Å; I397-S399 PolarHBondContact O-N 2.97Å; S399-P426 WeakPolarHBondContact OG-CG 3.49Å |
| 400 | L | 89 | Confident | 86.5 | Confident | 16 Ų | 16 | 47 Ų | 47 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | trans | -69 | 144.9 | 179.6 | -61.2 | -178.5 | 0 | 0 | 0 | 111.9 | Y354 W396 I397 I423 V425 | Y354-L400 HydrophobicContact CD2-CB 4.28Å; Y354-L400 HydrophobicContact CE2-CB 4.42Å; W396-L400 HydrophobicContact CD2-CD2 4.44Å; W396-L400 HydrophobicContact CE3-CD1 4.47Å; W396-L400 HydrophobicContact CH2-CD1 3.96Å; W396-L400 HydrophobicContact CH2-CD2 4.09Å; W396-L400 HydrophobicContact CZ2-CD1 4.45Å; W396-L400 HydrophobicContact CZ2-CD2 3.73Å; W396-L400 HydrophobicContact CZ3-CD1 3.96Å; W396-L400 PolarHBondContact O-N 2.83Å; I397-L400 VanDerWaalsContact O-CB 3.31Å; I397-L400 WeakPolarHBondContact O-CB 3.47Å; I397-L400 WeakPolarHBondContact O-CG 3.03Å; I397-L400 PolarHBondContact O-N 3.2Å; L400-I423 HydrophobicContact CD2-CG2 4.48Å; L400-V425 HydrophobicContact CD2-CB 4.15Å; L400-V425 HydrophobicContact CD2-CG1 4.18Å; L400-V425 HydrophobicContact CD2-CG2 3.84Å | ||
| 401 | R | 89.1 | Confident | 87.3 | Confident | 139 Ų | 139 | 41.3 Ų | 41.3 | 53% | 0.525 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.8 | 167.1 | -55 | 178.7 | -179.5 | -176.7 | -1.2 | 108.4 | I423 A424 Y442 M491 | R401-I423 CarbonylContact O-C 3.37Å; R401-I423 WeakPolarHBondContact O-CA 3.27Å; R401-A424 HydrophobicContact CB-CB 4.22Å; R401-A424 PolarHBondContact N-O 3.46Å; R401-A424 PolarHBondContact O-N 3.19Å; R401-Y442 HydrophobicContact CG-CE1 4.36Å; R401-Y442 PolarHBondContact NE-OH 3.33Å; R401-Y442 PolarHBondContact NH2-OH 3Å; R401-Y442 VanDerWaalsContact NH2-OH 3.12Å; R401-M491 WeakPolarHBondContact O-CE 3.47Å |
| 402 | G | 90.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 154.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y354 A422 | Y354-G402 VanDerWaalsContact CE1-CA 3.44Å; Y354-G402 WeakPolarHBondContact CE1-O 3.01Å; Y354-G402 PolarHBondContact OH-N 3.36Å; G402-A422 CarbonylContact C-O 3.54Å; G402-A422 VanDerWaalsContact CA-O 3.3Å; G402-A422 WeakPolarHBondContact CA-O 3.48Å |
| 403 | L | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.4 | 172.4 | 174.1 | 75.1 | 0 | 0 | 0 | 108.9 | V405 W411 S420 Q421 A422 I487 Y490 M491 | L403-V405 HydrophobicContact CD1-CG2 3.58Å; L403-V405 HydrophobicContact CG-CG2 4.11Å; L403-W411 HydrophobicContact CD1-CH2 4.35Å; L403-W411 HydrophobicContact CD2-CH2 3.6Å; L403-W411 HydrophobicContact CD2-CZ3 4.25Å; L403-S420 CarbonylContact O-C 3.49Å; L403-S420 WeakPolarHBondContact O-CB 3.46Å; L403-Q421 HydrophobicContact CD2-CB 3.83Å; L403-Q421 HydrophobicContact CG-CB 4.17Å; L403-Q421 PolarHBondContact O-N 3.42Å; L403-A422 HydrophobicContact CB-CB 4.34Å; L403-A422 PolarHBondContact N-O 2.91Å; L403-A422 PolarHBondContact O-N 3.42Å; L403-I487 HydrophobicContact CD2-CB 4.48Å; L403-I487 HydrophobicContact CD2-CG1 4.27Å; L403-I487 HydrophobicContact CD2-CG2 3.71Å; L403-Y490 HydrophobicContact CB-CE1 4.47Å; L403-Y490 HydrophobicContact CD1-CD1 3.84Å; L403-Y490 HydrophobicContact CD1-CE1 3.58Å; L403-Y490 HydrophobicContact CD1-CG 4.49Å; L403-Y490 HydrophobicContact CD2-CD1 4.42Å; L403-Y490 HydrophobicContact CG-CD1 4.49Å; L403-M491 HydrophobicContact CB-SD 3.64Å |
| 404 | Y | 90.2 | Very high | 88.9 | Confident | 56 Ų | 56 | 32.5 Ų | 32.5 | 22% | 0.22 | 16% | 0.155 | C | C | . | . | trans | -143.6 | 107.3 | 172.5 | -174.1 | -127 | 0 | 0 | 0 | 108.7 | R42 Q406 N415 Y419 | R42-Y404 PolarHBondContact NH1-O 3.16Å; Y404-Q406 HydrophobicContact CD1-CG 4.26Å; Y404-Q406 HydrophobicContact CE1-CG 3.76Å; Y404-Q406 HydrophobicContact CE2-CG 4.5Å; Y404-Q406 PolarHBondContact OH-NE2 2.94Å; Y404-N415 HydrophobicContact CD2-CB 4.13Å; Y404-N415 HydrophobicContact CE2-CB 3.87Å; Y404-Y419 VanDerWaalsContact CD2-O 3.24Å; Y404-Y419 WeakPolarHBondContact CD2-O 3.4Å; Y404-Y419 WeakPolarHBondContact CE2-O 3.47Å | ||
| 405 | V | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -109.1 | 119.4 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | W61 L403 W411 N415 Q421 | W61-V405 HydrophobicContact CE3-CG1 4.45Å; W61-V405 HydrophobicContact CH2-CG2 3.64Å; W61-V405 HydrophobicContact CZ3-CB 4.49Å; W61-V405 HydrophobicContact CZ3-CG1 3.9Å; W61-V405 HydrophobicContact CZ3-CG2 3.76Å; L403-V405 HydrophobicContact CD1-CG2 3.58Å; L403-V405 HydrophobicContact CG-CG2 4.11Å; V405-W411 HydrophobicContact CG2-CZ3 3.85Å; V405-N415 WeakPolarHBondContact O-CB 3.47Å; V405-N415 PolarHBondContact O-N 3.24Å; V405-Q421 VanDerWaalsContact CB-OE1 3.24Å | ||
| 406 | Q | 89.9 | Confident | 89 | Confident | 31 Ų | 31 | 27.4 Ų | 27.4 | 15% | 0.145 | 13% | 0.133 | C | C | . | . | trans | -104 | -18.2 | 175.1 | -64.3 | -170.2 | -9.4 | 0 | 0 | 112.7 | E46 R55 Y404 | E46-Q406 HydrophobicContact CG-CB 4.29Å; E46-Q406 PolarHBondContact OE1-N 2.83Å; R55-Q406 VanDerWaalsContact CZ-O 3.27Å; R55-Q406 PolarHBondContact NH1-O 3.29Å; R55-Q406 VanDerWaalsContact NH1-O 3.13Å; Y404-Q406 HydrophobicContact CD1-CG 4.26Å; Y404-Q406 HydrophobicContact CE1-CG 3.76Å; Y404-Q406 HydrophobicContact CE2-CG 4.5Å; Y404-Q406 PolarHBondContact OH-NE2 2.94Å | ||
| 407 | S | 93.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -74.2 | 143.3 | 178.5 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | E46 S56 C58 A414 | E46-S407 WeakPolarHBondContact OE1-CB 3.47Å; E46-S407 PolarHBondContact OE1-N 3.09Å; E46-S407 PolarHBondContact OE1-OG 2.95Å; S56-S407 VanDerWaalsContact O-CA 3.26Å; S56-S407 WeakPolarHBondContact O-CA 3.39Å; C58-S407 WeakPolarHBondContact SG-CB 3.39Å; S407-A414 WeakPolarHBondContact O-CB 3.41Å |
| 408 | I | 95.4 | Very high | 88.6 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -77.6 | 132 | 170.3 | -64.5 | 173.5 | 0 | 0 | 0 | 108.4 | R55 S56 L57 C58 F59 E457 | R55-I408 HydrophobicContact CG-CD1 3.92Å; R55-I408 HydrophobicContact CG-CG1 4.41Å; R55-I408 VanDerWaalsContact NE-CG1 3.33Å; S56-I408 PolarHBondContact O-N 3.43Å; L57-I408 HydrophobicContact CD2-CB 4.06Å; L57-I408 HydrophobicContact CD2-CD1 3.94Å; L57-I408 HydrophobicContact CD2-CG1 4.38Å; C58-I408 CarbonylContact C-O 3.53Å; C58-I408 PolarHBondContact N-O 3.24Å; F59-I408 HydrophobicContact CE1-CG2 3.74Å; F59-I408 HydrophobicContact CZ-CG2 4.27Å; I408-E457 HydrophobicContact CD1-CG 4.3Å; I408-E457 HydrophobicContact CG1-CG 4.29Å |
| 409 | S | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -150.2 | 177.2 | 179.4 | 73.7 | 0 | 0 | 0 | 0 | 112 | C58 W411 P454 | C58-S409 VanDerWaalsContact O-CB 3.23Å; C58-S409 WeakPolarHBondContact O-CB 3.47Å; S409-W411 VanDerWaalsContact C-N 3.31Å; S409-W411 PolarHBondContact OG-N 3.46Å; S409-P454 CarbonylContact O-C 3.52Å; S409-P454 WeakPolarHBondContact O-CB 3.4Å | ||
| 410 | H | 92.4 | Very high | 89.3 | Confident | 64 Ų | 64 | 22.8 Ų | 22.8 | 30% | 0.296 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -82.3 | -6.3 | 172 | -62.9 | -61.2 | 0 | 0 | 0 | 113.7 | F59 E455 R486 | F59-H410 PolarHBondContact O-CD2 2.8Å; H410-E455 IonicContact CE1-OE1 2.65Å; H410-E455 IonicContact CG-OE1 3.08Å; H410-E455 VanDerWaalsContact ND1-CD 3.31Å; H410-E455 WeakPolarHBondContact ND1-CG 3.32Å; H410-E455 IonicContact ND1-OE1 3.44Å; H410-E455 PolarHBondContact ND1-OE1 3.29Å; H410-R486 PolarHBondContact O-NH1 3.39Å |
| 411 | W | 92.7 | Very high | 89.6 | Confident | 11 Ų | 11 | 22.2 Ų | 22.2 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -79.6 | -68.1 | -170.3 | 172 | 72.1 | 0 | 0 | 0 | 112.3 | W61 Q62 L403 V405 S409 R486 I487 Y490 | W61-W411 HydrophobicContact CE3-CE3 4.21Å; W61-W411 HydrophobicContact CH2-CD2 4.29Å; W61-W411 AromaticContact CH2-CE3 3.86Å; W61-W411 HydrophobicContact CH2-CE3 3.86Å; W61-W411 HydrophobicContact CH2-CH2 4.18Å; W61-W411 AromaticContact CH2-CZ3 3.79Å; W61-W411 HydrophobicContact CH2-CZ3 3.79Å; W61-W411 AromaticContact CZ3-CD2 3.8Å; W61-W411 HydrophobicContact CZ3-CD2 3.8Å; W61-W411 AromaticContact CZ3-CE3 3.26Å; W61-W411 HydrophobicContact CZ3-CE3 3.26Å; W61-W411 HydrophobicContact CZ3-CG 4.4Å; W61-W411 HydrophobicContact CZ3-CH2 4.39Å; W61-W411 AromaticContact CZ3-CZ3 3.61Å; W61-W411 HydrophobicContact CZ3-CZ3 3.61Å; Q62-W411 HydrophobicContact CB-CB 3.83Å; Q62-W411 HydrophobicContact CB-CD2 4.44Å; Q62-W411 HydrophobicContact CB-CG 3.67Å; Q62-W411 HydrophobicContact CG-CD2 4.36Å; Q62-W411 HydrophobicContact CG-CG 4.09Å; L403-W411 HydrophobicContact CD1-CH2 4.35Å; L403-W411 HydrophobicContact CD2-CH2 3.6Å; L403-W411 HydrophobicContact CD2-CZ3 4.25Å; V405-W411 HydrophobicContact CG2-CZ3 3.85Å; S409-W411 VanDerWaalsContact C-N 3.31Å; S409-W411 PolarHBondContact OG-N 3.46Å; W411-R486 HydrophobicContact CZ2-CB 4.39Å; W411-R486 WeakPolarHBondContact CZ2-O 3.42Å; W411-R486 WeakPolarHBondContact O-CD 3.34Å; W411-R486 PolarHBondContact O-NH1 3.26Å; W411-I487 HydrophobicContact CH2-CG1 3.93Å; W411-I487 HydrophobicContact CZ2-CG1 4.34Å; W411-Y490 HydrophobicContact CZ2-CG 4.29Å |
| 412 | A | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -144.3 | 161 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107 | A414 | A412-A414 PolarHBondContact O-N 2.93Š|
| 413 | P | 90.2 | Very high | 90.1 | Very high | 7 Ų | 7 | 15.5 Ų | 15.5 | 5% | 0.045 | 8% | 0.078 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 142.7 | 176.3 | -21.8 | 33.8 | 0 | 0 | 0 | 109.5 | Q421 L452 P454 H483 | P413-Q421 PolarHBondContact O-NE2 2.9Å; P413-L452 HydrophobicContact CB-CB 4.04Å; P413-L452 HydrophobicContact CB-CD1 4.1Å; P413-L452 HydrophobicContact CG-CB 3.74Å; P413-P454 HydrophobicContact CG-CG 4.21Å; P413-H483 VanDerWaalsContact CD-CD2 3.43Å; P413-H483 WeakPolarHBondContact CD-CD2 3.34Å; P413-H483 VanDerWaalsContact CD-CE1 3.49Å; P413-H483 WeakPolarHBondContact CD-CE1 3.31Å; P413-H483 VanDerWaalsContact CD-CG 3.42Å; P413-H483 WeakPolarHBondContact CD-ND1 3.4Å; P413-H483 WeakPolarHBondContact CD-NE2 3.43Å; P413-H483 VanDerWaalsContact CG-CD2 3.47Å; P413-H483 WeakPolarHBondContact CG-CD2 3.35Å; P413-H483 VanDerWaalsContact CG-NE2 3.32Å; P413-H483 WeakPolarHBondContact CG-NE2 3.33Å |
| 414 | A | 86.9 | Confident | 90.1 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 3% | 0.025 | 8% | 0.079 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 155.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S407 A412 I416 E457 | S407-A414 WeakPolarHBondContact O-CB 3.41Å; A412-A414 PolarHBondContact O-N 2.93Å; A414-I416 PolarHBondContact O-N 3.04Å; A414-E457 WeakPolarHBondContact CB-OE1 3.38Å; A414-E457 PolarHBondContact N-OE1 2.86Å |
| 415 | N | 84 | Confident | 90.2 | Very high | 14 Ų | 14 | 13 Ų | 13 | 8% | 0.075 | 7% | 0.069 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 126.9 | 174.2 | -158.9 | -35.6 | 0 | 0 | 0 | 110.2 | Y404 V405 G417 Y419 Q421 | Y404-N415 HydrophobicContact CD2-CB 4.13Å; Y404-N415 HydrophobicContact CE2-CB 3.87Å; V405-N415 WeakPolarHBondContact O-CB 3.47Å; V405-N415 PolarHBondContact O-N 3.24Å; N415-G417 VanDerWaalsContact C-N 3.34Å; N415-G417 PolarHBondContact OD1-N 3.47Å; N415-G417 PolarHBondContact OD1-O 3.46Å; N415-Y419 PolarHBondContact ND2-O 3.43Å; N415-Y419 WeakPolarHBondContact OD1-CE2 3.44Å; N415-Q421 HydrophobicContact CB-CG 4.22Å; N415-Q421 PolarHBondContact ND2-N 3.06Å |
| 416 | I | 80.6 | Confident | 89.9 | Confident | 49 Ų | 49 | 13.7 Ų | 13.7 | 25% | 0.251 | 7% | 0.074 | S | C | . | . | trans | -91.4 | 4.8 | -179.6 | 62.2 | 169.4 | 0 | 0 | 0 | 112.9 | A414 I450 L452 K554 | A414-I416 PolarHBondContact O-N 3.04Å; I416-I450 HydrophobicContact CD1-CD1 4.01Å; I416-L452 HydrophobicContact CG2-CD1 3.86Å; I416-K554 HydrophobicContact CD1-CD 4.35Å | ||
| 417 | G | 79.1 | Confident | 89.3 | Confident | 13 Ų | 13 | 13.3 Ų | 13.3 | 13% | 0.134 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -147.5 | -175.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | N415 Y419 | N415-G417 VanDerWaalsContact C-N 3.34Å; N415-G417 PolarHBondContact OD1-N 3.47Å; N415-G417 PolarHBondContact OD1-O 3.46Å; G417-Y419 PolarHBondContact O-N 3.36Å |
| 418 | P | 80.3 | Confident | 87.8 | Confident | 28 Ų | 28 | 15.5 Ų | 15.5 | 18% | 0.182 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -79.3 | 0.8 | -175.1 | 37.2 | -44 | 0 | 0 | 0 | 113.8 | Y328 T329 M355 | Y328-P418 HydrophobicContact CD1-CG 3.97Å; Y328-P418 HydrophobicContact CE1-CG 3.94Å; T329-P418 HydrophobicContact CG2-CB 4.28Å; T329-P418 WeakPolarHBondContact OG1-CB 3.35Å; T329-P418 WeakPolarHBondContact OG1-CG 3.43Å; M355-P418 WeakPolarHBondContact CB-O 3.41Å; M355-P418 WeakPolarHBondContact CG-O 3.38Å |
| 419 | Y | 90.3 | Very high | 85.6 | Confident | 18 Ų | 18 | 20.4 Ų | 20.4 | 7% | 0.071 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -94.7 | 165.1 | -173.7 | 47.7 | -90.2 | 0 | 0 | 0 | 111.3 | P356 R358 Y404 N415 G417 S447 | P356-Y419 WeakPolarHBondContact O-CA 3.36Å; P356-Y419 WeakPolarHBondContact O-CB 3.48Å; R358-Y419 HydrophobicContact CB-CD1 3.82Å; R358-Y419 HydrophobicContact CB-CD2 4.12Å; R358-Y419 HydrophobicContact CB-CE1 4.42Å; R358-Y419 HydrophobicContact CB-CG 3.65Å; R358-Y419 VanDerWaalsContact CZ-CE1 3.42Å; R358-Y419 VanDerWaalsContact NE-CD1 3.33Å; R358-Y419 VanDerWaalsContact NE-CE1 3.34Å; R358-Y419 VanDerWaalsContact NH2-CE1 3.27Å; Y404-Y419 VanDerWaalsContact CD2-O 3.24Å; Y404-Y419 WeakPolarHBondContact CD2-O 3.4Å; Y404-Y419 WeakPolarHBondContact CE2-O 3.47Å; N415-Y419 PolarHBondContact ND2-O 3.43Å; N415-Y419 WeakPolarHBondContact OD1-CE2 3.44Å; G417-Y419 PolarHBondContact O-N 3.36Å; Y419-S447 VanDerWaalsContact CD2-OG 3.25Å; Y419-S447 WeakPolarHBondContact CD2-OG 3.18Å |
| 420 | S | 93.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | trans | -78.2 | 150 | 170 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | M355 P356 L403 S447 | M355-S420 WeakPolarHBondContact O-CB 3.31Å; M355-S420 PolarHBondContact O-N 2.88Å; M355-S420 VanDerWaalsContact O-N 3.08Å; M355-S420 PolarHBondContact O-OG 3.29Å; P356-S420 PolarHBondContact O-N 3.12Å; L403-S420 CarbonylContact O-C 3.49Å; L403-S420 WeakPolarHBondContact O-CB 3.46Å; S420-S447 PolarHBondContact O-OG 3.48Å | ||
| 421 | Q | 94.1 | Very high | 80.4 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -69.1 | -36.6 | 173.4 | -85.4 | 158.6 | -49.2 | 0 | 0 | 111.7 | L403 V405 P413 N415 S447 I487 | L403-Q421 HydrophobicContact CD2-CB 3.83Å; L403-Q421 HydrophobicContact CG-CB 4.17Å; L403-Q421 PolarHBondContact O-N 3.42Å; V405-Q421 VanDerWaalsContact CB-OE1 3.24Å; P413-Q421 PolarHBondContact O-NE2 2.9Å; N415-Q421 HydrophobicContact CB-CG 4.22Å; N415-Q421 PolarHBondContact ND2-N 3.06Å; Q421-S447 PolarHBondContact O-N 3.47Å; Q421-I487 HydrophobicContact CB-CD1 4.47Å |
| 422 | A | 95.7 | Very high | 78 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 150.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G402 L403 T444 F445 Y446 I487 M491 | G402-A422 CarbonylContact C-O 3.54Å; G402-A422 VanDerWaalsContact CA-O 3.3Å; G402-A422 WeakPolarHBondContact CA-O 3.48Å; L403-A422 HydrophobicContact CB-CB 4.34Å; L403-A422 PolarHBondContact N-O 2.91Å; L403-A422 PolarHBondContact O-N 3.42Å; A422-T444 HydrophobicContact CB-CG2 4.21Å; A422-F445 CarbonylContact C-O 3.52Å; A422-F445 WeakPolarHBondContact CA-O 3.39Å; A422-Y446 HydrophobicContact CB-CD1 3.83Å; A422-Y446 HydrophobicContact CB-CE1 4.17Å; A422-Y446 HydrophobicContact CB-CG 4.5Å; A422-I487 HydrophobicContact CB-CG2 3.85Å; A422-M491 HydrophobicContact CB-CE 4.05Å; A422-M491 HydrophobicContact CB-CG 3.67Å; A422-M491 HydrophobicContact CB-SD 4.04Å |
| 423 | I | 94.9 | Very high | 75.5 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 125.4 | 170.4 | -64.2 | 175 | 0 | 0 | 0 | 108.7 | V306 M355 T357 L400 R401 V425 T444 F445 | V306-I423 HydrophobicContact CG1-CB 4.07Å; V306-I423 HydrophobicContact CG1-CG2 3.88Å; M355-I423 WeakPolarHBondContact O-CD1 3.41Å; T357-I423 HydrophobicContact CG2-CB 4.14Å; T357-I423 HydrophobicContact CG2-CD1 4.2Å; T357-I423 HydrophobicContact CG2-CG1 3.86Å; L400-I423 HydrophobicContact CD2-CG2 4.48Å; R401-I423 CarbonylContact O-C 3.37Å; R401-I423 WeakPolarHBondContact O-CA 3.27Å; I423-V425 HydrophobicContact CG2-CG2 4.29Å; I423-T444 CarbonylContact O-C 3.58Å; I423-T444 WeakPolarHBondContact O-CA 3.2Å; I423-F445 PolarHBondContact N-O 3.08Å; I423-F445 PolarHBondContact O-N 2.86Å |
| 424 | A | 93 | Very high | 73 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R401 Y442 F443 T444 M491 | R401-A424 HydrophobicContact CB-CB 4.22Å; R401-A424 PolarHBondContact N-O 3.46Å; R401-A424 PolarHBondContact O-N 3.19Å; A424-Y442 HydrophobicContact CB-CD1 3.76Å; A424-Y442 HydrophobicContact CB-CG 4.11Å; A424-F443 CarbonylContact C-O 3.49Å; A424-F443 VanDerWaalsContact CA-O 3.24Å; A424-F443 WeakPolarHBondContact CA-O 3.47Å; A424-T444 HydrophobicContact CB-CG2 4.07Å; A424-T444 WeakPolarHBondContact CB-OG1 3.49Å; A424-M491 HydrophobicContact CB-CE 3.86Å |
| 425 | V | 91.1 | Very high | 71 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.9 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | M264 V306 W396 L400 I423 Y442 F443 F445 | M264-V425 HydrophobicContact CE-CG2 4.45Å; M264-V425 HydrophobicContact SD-CG1 3.98Å; M264-V425 HydrophobicContact SD-CG2 4.48Å; V306-V425 HydrophobicContact CB-CG2 4.42Å; V306-V425 HydrophobicContact CG1-CG2 3.69Å; V306-V425 HydrophobicContact CG2-CG2 3.82Å; W396-V425 HydrophobicContact CZ2-CG1 3.62Å; W396-V425 HydrophobicContact CZ2-CG2 4.09Å; L400-V425 HydrophobicContact CD2-CB 4.15Å; L400-V425 HydrophobicContact CD2-CG1 4.18Å; L400-V425 HydrophobicContact CD2-CG2 3.84Å; I423-V425 HydrophobicContact CG2-CG2 4.29Å; V425-Y442 CarbonylContact O-C 3.59Å; V425-Y442 VanDerWaalsContact O-CA 3.23Å; V425-Y442 WeakPolarHBondContact O-CA 3.38Å; V425-Y442 WeakPolarHBondContact O-CB 3.45Å; V425-F443 PolarHBondContact N-O 3.33Å; V425-F443 PolarHBondContact O-N 3.29Å; V425-F445 HydrophobicContact CG2-CD2 4.24Å; V425-F445 HydrophobicContact CG2-CE2 3.98Å |
| 426 | P | 85.2 | Confident | 68.9 | Low | 13 Ų | 13 | 61.8 Ų | 61.8 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 151.4 | 178.7 | 29.4 | -33.6 | 0 | 0 | 0 | 111.3 | S399 V439 Y442 | S399-P426 WeakPolarHBondContact OG-CG 3.49Å; P426-V439 HydrophobicContact CB-CG1 3.89Å; P426-Y442 HydrophobicContact CB-CD1 4.13Å; P426-Y442 HydrophobicContact CB-CE1 3.88Å; P426-Y442 HydrophobicContact CG-CE1 4.49Å |
| 427 | I | 76.8 | Confident | 66.9 | Low | 24 Ų | 24 | 63.5 Ų | 63.5 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | trans | -85.6 | 129.5 | 175.2 | -63.3 | 165.9 | 0 | 0 | 0 | 109.3 | Y245 N262 N429 D441 F443 P566 | Y245-I427 HydrophobicContact CE1-CG2 4.46Å; N262-I427 HydrophobicContact CB-CG2 4.05Å; N262-I427 VanDerWaalsContact CG-CG2 3.46Å; I427-N429 PolarHBondContact O-N 2.84Å; I427-D441 HydrophobicContact CD1-CB 3.59Å; I427-D441 PolarHBondContact N-O 2.79Å; I427-F443 HydrophobicContact CG1-CD2 4.48Å; I427-P566 HydrophobicContact CD1-CB 3.38Å; I427-P566 HydrophobicContact CD1-CG 3.42Å; I427-P566 VanDerWaalsContact CD1-CG 3.42Å | ||
| 428 | S | 62.4 | Low | 65.2 | Low | 46 Ų | 46 | 68.2 Ų | 68.2 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -72.7 | 109.8 | -175.8 | 52.4 | 0 | 0 | 0 | 0 | 113 | ||
| 429 | N | 48.5 | Very low | 63.7 | Low | 124 Ų | 124 | 69.2 Ų | 69.2 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | trans | -168.3 | 41.8 | 140.1 | -107.3 | 0.1 | 0 | 0 | 0 | 110.8 | Q243 I427 Q431 | Q243-N429 PolarHBondContact OE1-ND2 3.12Å; I427-N429 PolarHBondContact O-N 2.84Å; N429-Q431 PolarHBondContact O-N 3.41Å | ||
| 430 | I | 44.2 | Very low | 62.2 | Low | 66 Ų | 66 | 71.4 Ų | 71.4 | 34% | 0.338 | 40% | 0.398 | S | S | . | . | trans | -93.1 | 98.9 | 178.3 | -56.5 | 157 | 0 | 0 | 0 | 107.5 | L432 V439 | I430-L432 HydrophobicContact CG2-CD2 3.93Å; I430-L432 HydrophobicContact CG2-CG 3.98Å; I430-L432 PolarHBondContact O-N 3.34Å; I430-V439 HydrophobicContact CD1-CB 4.32Å; I430-V439 HydrophobicContact CD1-CG1 4.05Å; I430-V439 HydrophobicContact CD1-CG2 3.5Å; I430-V439 VanDerWaalsContact CD1-CG2 3.5Å | ||
| 431 | Q | 34.5 | Very low | 61.5 | Low | 159 Ų | 159 | 73.7 Ų | 73.7 | 74% | 0.743 | 41% | 0.411 | S | S | * | . | trans | -65.7 | 114.3 | 147.3 | -76.7 | -176.3 | -26.1 | 0 | 0 | 105.8 | N429 D433 | N429-Q431 PolarHBondContact O-N 3.41Å; Q431-D433 PolarHBondContact O-N 3.06Å | ||
| 432 | L | 41.7 | Very low | 61.1 | Low | 138 Ų | 138 | 75.2 Ų | 75.2 | 72% | 0.723 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 12 | 174.2 | -78.6 | 164 | 0 | 0 | 0 | 112.6 | I430 D434 | I430-L432 HydrophobicContact CG2-CD2 3.93Å; I430-L432 HydrophobicContact CG2-CG 3.98Å; I430-L432 PolarHBondContact O-N 3.34Å; L432-D434 VanDerWaalsContact C-N 3.33Å; L432-D434 PolarHBondContact O-N 3.48Å |
| 433 | D | 37.9 | Very low | 60.9 | Low | 138 Ų | 138 | 75.3 Ų | 75.3 | 74% | 0.738 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.2 | -169.3 | -80.9 | -12.7 | 0 | 0 | 0 | 115.2 | Q431 | Q431-D433 PolarHBondContact O-N 3.06Š|
| 434 | D | 37.5 | Very low | 60.9 | Low | 129 Ų | 129 | 75.3 Ų | 75.3 | 69% | 0.69 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -138.6 | 131.5 | 167.4 | -85.3 | -42.3 | 0 | 0 | 0 | 110.7 | L432 S436 | L432-D434 VanDerWaalsContact C-N 3.33Å; L432-D434 PolarHBondContact O-N 3.48Å; D434-S436 PolarHBondContact O-N 2.55Å |
| 435 | F | 45.5 | Very low | 61.1 | Low | 232 Ų | 232 | 75.2 Ų | 75.2 | 100% | 1.018 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 21.6 | -179.5 | -89.9 | -89 | 0 | 0 | 0 | 115.3 | ||
| 436 | S | 40.4 | Very low | 61.3 | Low | 106 Ų | 106 | 75.2 Ų | 75.2 | 74% | 0.741 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.2 | 4.1 | -166.8 | -177.8 | 0 | 0 | 0 | 0 | 116.4 | D434 C438 | D434-S436 PolarHBondContact O-N 2.55Å; S436-C438 PolarHBondContact O-N 3.28Å |
| 437 | T | 39.3 | Very low | 61.9 | Low | 85 Ų | 85 | 74.6 Ų | 74.6 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | trans | -92.1 | 92.7 | 173.1 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | V439 | T437-V439 PolarHBondContact O-N 3.17Å; T437-V439 VanDerWaalsContact O-N 3.15Å | ||
| 438 | C | 42.5 | Very low | 62.8 | Low | 112 Ų | 112 | 73.9 Ų | 73.9 | 76% | 0.757 | 41% | 0.411 | S | S | * | . | trans | -57.2 | 119.8 | 163.4 | 57.9 | 0 | 0 | 0 | 0 | 108.2 | S436 A440 | S436-C438 PolarHBondContact O-N 3.28Å; C438-A440 PolarHBondContact O-N 3.48Å | ||
| 439 | V | 48.8 | Very low | 64.5 | Low | 49 Ų | 49 | 72.3 Ų | 72.3 | 30% | 0.297 | 40% | 0.398 | S | S | . | . | trans | -61.4 | 101.8 | 171.6 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | P426 I430 T437 Y442 | P426-V439 HydrophobicContact CB-CG1 3.89Å; I430-V439 HydrophobicContact CD1-CB 4.32Å; I430-V439 HydrophobicContact CD1-CG1 4.05Å; I430-V439 HydrophobicContact CD1-CG2 3.5Å; I430-V439 VanDerWaalsContact CD1-CG2 3.5Å; T437-V439 PolarHBondContact O-N 3.17Å; T437-V439 VanDerWaalsContact O-N 3.15Å; V439-Y442 HydrophobicContact CB-CE2 3.96Å; V439-Y442 WeakPolarHBondContact CB-OH 3.32Å; V439-Y442 HydrophobicContact CG1-CD2 4.21Å; V439-Y442 HydrophobicContact CG1-CE1 4.21Å; V439-Y442 HydrophobicContact CG1-CE2 3.47Å; V439-Y442 VanDerWaalsContact CG1-CE2 3.47Å; V439-Y442 VanDerWaalsContact CG1-CZ 3.45Å; V439-Y442 WeakPolarHBondContact CG1-OH 3.49Å | ||
| 440 | A | 59.4 | Low | 66.8 | Low | 64 Ų | 64 | 67 Ų | 67 | 53% | 0.529 | 37% | 0.37 | S | S | . | . | trans | -81.1 | -35.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112 | C438 | C438-A440 PolarHBondContact O-N 3.48Š| ||
| 441 | D | 77.3 | Confident | 69.3 | Low | 50 Ų | 50 | 63.9 Ų | 63.9 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | trans | -126.4 | 135.1 | -169.7 | -67.8 | -38.5 | 0 | 0 | 0 | 113.3 | I427 P566 | I427-D441 HydrophobicContact CD1-CB 3.59Å; I427-D441 PolarHBondContact N-O 2.79Å; D441-P566 HydrophobicContact CB-CB 4.3Å | ||
| 442 | Y | 86.6 | Confident | 72.3 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 147 | 177.2 | -67.9 | -104.2 | 0 | 0 | 0 | 108.8 | R401 A424 V425 P426 V439 | R401-Y442 HydrophobicContact CG-CE1 4.36Å; R401-Y442 PolarHBondContact NE-OH 3.33Å; R401-Y442 PolarHBondContact NH2-OH 3Å; R401-Y442 VanDerWaalsContact NH2-OH 3.12Å; A424-Y442 HydrophobicContact CB-CD1 3.76Å; A424-Y442 HydrophobicContact CB-CG 4.11Å; V425-Y442 CarbonylContact O-C 3.59Å; V425-Y442 VanDerWaalsContact O-CA 3.23Å; V425-Y442 WeakPolarHBondContact O-CA 3.38Å; V425-Y442 WeakPolarHBondContact O-CB 3.45Å; P426-Y442 HydrophobicContact CB-CD1 4.13Å; P426-Y442 HydrophobicContact CB-CE1 3.88Å; P426-Y442 HydrophobicContact CG-CE1 4.49Å; V439-Y442 HydrophobicContact CB-CE2 3.96Å; V439-Y442 WeakPolarHBondContact CB-OH 3.32Å; V439-Y442 HydrophobicContact CG1-CD2 4.21Å; V439-Y442 HydrophobicContact CG1-CE1 4.21Å; V439-Y442 HydrophobicContact CG1-CE2 3.47Å; V439-Y442 VanDerWaalsContact CG1-CE2 3.47Å; V439-Y442 VanDerWaalsContact CG1-CZ 3.45Å; V439-Y442 WeakPolarHBondContact CG1-OH 3.49Å |
| 443 | F | 92 | Very high | 75 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 129.4 | 148.4 | -88 | -69.2 | 0 | 0 | 0 | 108.1 | L260 N262 M264 A424 V425 I427 F445 F501 I563 T564 L569 | L260-F443 HydrophobicContact CD2-CE1 4.28Å; L260-F443 HydrophobicContact CD2-CZ 4.42Å; L260-F443 HydrophobicContact CG-CZ 4.38Å; N262-F443 HydrophobicContact CB-CE2 4.16Å; M264-F443 HydrophobicContact CG-CD2 4.09Å; M264-F443 HydrophobicContact CG-CE2 4.49Å; A424-F443 CarbonylContact C-O 3.49Å; A424-F443 VanDerWaalsContact CA-O 3.24Å; A424-F443 WeakPolarHBondContact CA-O 3.47Å; V425-F443 PolarHBondContact N-O 3.33Å; V425-F443 PolarHBondContact O-N 3.29Å; I427-F443 HydrophobicContact CG1-CD2 4.48Å; F443-F445 HydrophobicContact CB-CD2 4.48Å; F443-F445 HydrophobicContact CB-CE2 3.63Å; F443-F445 HydrophobicContact CB-CZ 3.94Å; F443-F445 HydrophobicContact CG-CE2 4.47Å; F443-F445 HydrophobicContact CG-CZ 4.31Å; F443-F501 HydrophobicContact CE1-CD1 4Å; F443-F501 HydrophobicContact CE1-CD2 4.38Å; F443-F501 HydrophobicContact CE1-CE1 4.09Å; F443-F501 HydrophobicContact CE1-CE2 4.47Å; F443-F501 HydrophobicContact CE1-CG 4.14Å; F443-F501 HydrophobicContact CE1-CZ 4.31Å; F443-I563 HydrophobicContact CD1-CG2 3.96Å; F443-I563 HydrophobicContact CE1-CG2 4.41Å; F443-T564 CarbonylContact C-O 3.55Å; F443-T564 WeakPolarHBondContact CA-O 3.43Å; F443-L569 HydrophobicContact CE2-CD1 3.92Å; F443-L569 HydrophobicContact CZ-CD1 3.48Å; F443-L569 VanDerWaalsContact CZ-CD1 3.48Å |
| 444 | T | 94.7 | Very high | 77.8 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.8 | 170.2 | -47.7 | 0 | 0 | 0 | 0 | 109.3 | A422 I423 A424 Y446 M491 I563 T564 | A422-T444 HydrophobicContact CB-CG2 4.21Å; I423-T444 CarbonylContact O-C 3.58Å; I423-T444 WeakPolarHBondContact O-CA 3.2Å; A424-T444 HydrophobicContact CB-CG2 4.07Å; A424-T444 WeakPolarHBondContact CB-OG1 3.49Å; T444-Y446 HydrophobicContact CG2-CD2 4.37Å; T444-Y446 HydrophobicContact CG2-CE1 3.93Å; T444-Y446 HydrophobicContact CG2-CE2 3.73Å; T444-Y446 VanDerWaalsContact CG2-CZ 3.49Å; T444-Y446 WeakPolarHBondContact O-CD2 2.91Å; T444-Y446 VanDerWaalsContact O-CE2 3.26Å; T444-Y446 WeakPolarHBondContact O-CE2 3.5Å; T444-M491 HydrophobicContact CG2-CB 4.01Å; T444-M491 HydrophobicContact CG2-CE 4.02Å; T444-M491 HydrophobicContact CG2-CG 4.25Å; T444-I563 CarbonylContact O-C 3.48Å; T444-I563 WeakPolarHBondContact O-CA 3.31Å; T444-T564 VanDerWaalsContact CB-OG1 3.3Å; T444-T564 WeakPolarHBondContact CB-OG1 3.47Å; T444-T564 PolarHBondContact N-O 3.36Å; T444-T564 PolarHBondContact O-N 3.13Å |
| 445 | F | 96.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.6 | 176.7 | -57.9 | -91.6 | 0 | 0 | 0 | 108.2 | L260 M264 V306 Q307 T357 I385 A422 I423 V425 F443 I563 | L260-F445 HydrophobicContact CD2-CE1 3.92Å; L260-F445 HydrophobicContact CD2-CZ 4.07Å; M264-F445 HydrophobicContact CE-CE1 4.45Å; M264-F445 HydrophobicContact CE-CE2 3.6Å; M264-F445 HydrophobicContact CE-CZ 3.49Å; M264-F445 VanDerWaalsContact CE-CZ 3.49Å; M264-F445 HydrophobicContact CG-CZ 4.28Å; V306-F445 HydrophobicContact CB-CD2 4.34Å; V306-F445 HydrophobicContact CG1-CB 4.14Å; V306-F445 HydrophobicContact CG1-CD2 3.24Å; V306-F445 HydrophobicContact CG1-CE2 3.77Å; V306-F445 HydrophobicContact CG1-CG 3.78Å; Q307-F445 HydrophobicContact CB-CB 4.42Å; T357-F445 WeakPolarHBondContact CG2-O 3.49Å; I385-F445 HydrophobicContact CB-CE1 4.46Å; I385-F445 HydrophobicContact CD1-CD1 3.8Å; I385-F445 HydrophobicContact CD1-CE1 3.73Å; I385-F445 HydrophobicContact CG2-CD1 4.44Å; I385-F445 HydrophobicContact CG2-CE1 3.73Å; I385-F445 HydrophobicContact CG2-CZ 4.02Å; A422-F445 CarbonylContact C-O 3.52Å; A422-F445 WeakPolarHBondContact CA-O 3.39Å; I423-F445 PolarHBondContact N-O 3.08Å; I423-F445 PolarHBondContact O-N 2.86Å; V425-F445 HydrophobicContact CG2-CD2 4.24Å; V425-F445 HydrophobicContact CG2-CE2 3.98Å; F443-F445 HydrophobicContact CB-CD2 4.48Å; F443-F445 HydrophobicContact CB-CE2 3.63Å; F443-F445 HydrophobicContact CB-CZ 3.94Å; F443-F445 HydrophobicContact CG-CE2 4.47Å; F443-F445 HydrophobicContact CG-CZ 4.31Å; F445-I563 HydrophobicContact CD1-CD1 4Å; F445-I563 HydrophobicContact CD1-CG1 3.92Å; F445-I563 HydrophobicContact CD1-CG2 4.08Å; F445-I563 HydrophobicContact CE1-CD1 3.98Å; F445-I563 HydrophobicContact CE1-CG1 4.28Å; F445-I563 HydrophobicContact CE1-CG2 3.94Å |
| 446 | Y | 96.9 | Very high | 82.8 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.1 | -177.4 | -57.1 | -97.4 | 0 | 0 | 0 | 109.1 | Q307 A422 T444 I487 M488 M491 W562 T564 | Q307-Y446 PolarHBondContact NE2-O 3.21Å; A422-Y446 HydrophobicContact CB-CD1 3.83Å; A422-Y446 HydrophobicContact CB-CE1 4.17Å; A422-Y446 HydrophobicContact CB-CG 4.5Å; T444-Y446 HydrophobicContact CG2-CD2 4.37Å; T444-Y446 HydrophobicContact CG2-CE1 3.93Å; T444-Y446 HydrophobicContact CG2-CE2 3.73Å; T444-Y446 VanDerWaalsContact CG2-CZ 3.49Å; T444-Y446 WeakPolarHBondContact O-CD2 2.91Å; T444-Y446 VanDerWaalsContact O-CE2 3.26Å; T444-Y446 WeakPolarHBondContact O-CE2 3.5Å; Y446-I487 HydrophobicContact CD1-CB 4.35Å; Y446-I487 HydrophobicContact CD1-CG2 3.58Å; Y446-I487 HydrophobicContact CE1-CG2 3.82Å; Y446-M488 HydrophobicContact CE1-CB 4.24Å; Y446-M491 HydrophobicContact CE1-CB 4.3Å; Y446-M491 HydrophobicContact CE1-CG 4.26Å; Y446-W562 HydrophobicContact CD2-CB 3.88Å; Y446-W562 WeakPolarHBondContact CD2-O 3.01Å; Y446-W562 HydrophobicContact CG-CB 4.3Å; Y446-W562 PolarHBondContact N-O 3.43Å; Y446-T564 HydrophobicContact CE2-CG2 3.74Å; Y446-T564 WeakPolarHBondContact CE2-OG1 3.37Å; Y446-T564 PolarHBondContact OH-OG1 2.91Å; Y446-T564 VanDerWaalsContact OH-OG1 3.05Å |
| 447 | S | 96.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -66 | 161.3 | 172.1 | -72.8 | 0 | 0 | 0 | 0 | 111.6 | T357 R358 Y419 S420 Q421 Q449 | T357-S447 VanDerWaalsContact CA-OG 3.26Å; T357-S447 WeakPolarHBondContact CA-OG 3.3Å; T357-S447 WeakPolarHBondContact CB-OG 3.23Å; R358-S447 PolarHBondContact N-OG 3.39Å; R358-S447 CarbonylContact O-C 3.49Å; R358-S447 VanDerWaalsContact O-CA 3.27Å; R358-S447 WeakPolarHBondContact O-CA 3.41Å; R358-S447 VanDerWaalsContact O-CB 3.27Å; R358-S447 WeakPolarHBondContact O-CB 3.49Å; R358-S447 PolarHBondContact O-OG 2.92Å; Y419-S447 VanDerWaalsContact CD2-OG 3.25Å; Y419-S447 WeakPolarHBondContact CD2-OG 3.18Å; S420-S447 PolarHBondContact O-OG 3.48Å; Q421-S447 PolarHBondContact O-N 3.47Å; S447-Q449 WeakPolarHBondContact O-CG 3.43Å; S447-Q449 PolarHBondContact O-N 3.3Å; S447-Q449 PolarHBondContact O-NE2 2.89Å | ||
| 448 | G | 96.5 | Very high | 88.1 | Confident | 9 Ų | 9 | 25.4 Ų | 25.4 | 9% | 0.093 | 15% | 0.151 | C | C | . | . | trans | -52.3 | 124.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R358 E559 W560 | R358-G448 PolarHBondContact O-N 3.32Å; G448-E559 VanDerWaalsContact CA-OE1 3.24Å; G448-E559 WeakPolarHBondContact CA-OE1 3.21Å; G448-W560 CarbonylContact C-O 3.6Å; G448-W560 WeakPolarHBondContact CA-O 3.39Å | ||
| 449 | Q | 97.1 | Very high | 90.6 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.4 | 177.5 | -57.8 | -53.6 | -57 | 0 | 0 | 110.6 | S447 C484 I487 E559 W560 | S447-Q449 WeakPolarHBondContact O-CG 3.43Å; S447-Q449 PolarHBondContact O-N 3.3Å; S447-Q449 PolarHBondContact O-NE2 2.89Å; Q449-C484 WeakPolarHBondContact CB-SG 3.06Å; Q449-C484 WeakPolarHBondContact CG-SG 3.45Å; Q449-I487 HydrophobicContact CG-CD1 4.16Å; Q449-E559 WeakPolarHBondContact O-CA 3.44Å; Q449-W560 PolarHBondContact N-O 2.76Å; Q449-W560 PolarHBondContact O-N 3.44Å |
| 450 | I | 97 | Very high | 92.9 | Very high | 12 Ų | 12 | 17.8 Ų | 17.8 | 6% | 0.062 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 159.9 | 173.7 | 55.3 | 169.1 | 0 | 0 | 0 | 110.8 | I416 L452 I459 H483 K554 A556 E559 | I416-I450 HydrophobicContact CD1-CD1 4.01Å; I450-L452 HydrophobicContact CD1-CD1 4.01Å; I450-L452 HydrophobicContact CD1-CD2 4.23Å; I450-L452 HydrophobicContact CD1-CG 3.89Å; I450-L452 HydrophobicContact CG1-CD1 4.2Å; I450-L452 HydrophobicContact CG1-CG 3.99Å; I450-L452 PolarHBondContact O-N 2.96Å; I450-I459 HydrophobicContact CD1-CD1 4.28Å; I450-H483 PolarHBondContact O-CD2 3.42Å; I450-K554 HydrophobicContact CD1-CB 4.2Å; I450-K554 HydrophobicContact CD1-CD 4.26Å; I450-K554 HydrophobicContact CD1-CG 4.43Å; I450-A556 HydrophobicContact CB-CB 3.78Å; I450-A556 HydrophobicContact CD1-CB 4.44Å; I450-A556 HydrophobicContact CG2-CB 3.54Å; I450-E559 HydrophobicContact CG2-CB 3.83Å; I450-E559 HydrophobicContact CG2-CG 3.89Å |
| 451 | G | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -80.2 | 47.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116 | P460 E476 L479 | G451-P460 WeakPolarHBondContact O-CD 3.4Å; G451-E476 WeakPolarHBondContact CA-O 3.24Å; G451-L479 WeakPolarHBondContact O-CD1 3.41Å | ||
| 452 | L | 97.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | trans | -65.9 | 145.9 | 176.1 | -66.4 | 171.1 | 0 | 0 | 0 | 111.6 | P413 I416 I450 P454 I459 H483 K554 | P413-L452 HydrophobicContact CB-CB 4.04Å; P413-L452 HydrophobicContact CB-CD1 4.1Å; P413-L452 HydrophobicContact CG-CB 3.74Å; I416-L452 HydrophobicContact CG2-CD1 3.86Å; I450-L452 HydrophobicContact CD1-CD1 4.01Å; I450-L452 HydrophobicContact CD1-CD2 4.23Å; I450-L452 HydrophobicContact CD1-CG 3.89Å; I450-L452 HydrophobicContact CG1-CD1 4.2Å; I450-L452 HydrophobicContact CG1-CG 3.99Å; I450-L452 PolarHBondContact O-N 2.96Å; L452-P454 VanDerWaalsContact O-CD 3.27Å; L452-P454 WeakPolarHBondContact O-CD 3.23Å; L452-I459 HydrophobicContact CD2-CD1 3.63Å; L452-I459 HydrophobicContact CD2-CG1 3.77Å; L452-I459 HydrophobicContact CG-CD1 4.15Å; L452-H483 PolarHBondContact O-CE1 3.35Å; L452-H483 PolarHBondContact O-NE2 3.46Å; L452-K554 HydrophobicContact CD1-CD 4.32Å; L452-K554 HydrophobicContact CD2-CD 3.8Å | ||
| 453 | I | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -73.9 | 112.5 | 164.9 | -58.5 | 172.5 | 0 | 0 | 0 | 107.2 | P207 F208 L211 E455 L456 E457 I458 P460 T463 L479 | P207-I453 HydrophobicContact CB-CG2 4.32Å; F208-I453 HydrophobicContact CE1-CD1 4.32Å; L211-I453 HydrophobicContact CD1-CD1 3.69Å; L211-I453 HydrophobicContact CD1-CG1 3.9Å; L211-I453 HydrophobicContact CD1-CG2 4.46Å; I453-E455 VanDerWaalsContact C-N 3.27Å; I453-E455 WeakPolarHBondContact CG2-OE2 3.29Å; I453-E455 PolarHBondContact O-N 2.92Å; I453-E455 VanDerWaalsContact O-N 3.13Å; I453-L456 HydrophobicContact CB-CB 4.23Å; I453-L456 HydrophobicContact CD1-CD1 4.22Å; I453-L456 HydrophobicContact CG2-CB 4.14Å; I453-L456 HydrophobicContact CG2-CD1 4.03Å; I453-L456 HydrophobicContact CG2-CG 3.95Å; I453-L456 PolarHBondContact O-N 3.33Å; I453-E457 PolarHBondContact O-N 3.07Å; I453-I458 PolarHBondContact N-O 3.19Å; I453-P460 HydrophobicContact CG1-CG 4.27Å; I453-T463 HydrophobicContact CD1-CG2 3.67Å; I453-L479 HydrophobicContact CG1-CD1 3.92Å |
| 454 | P | 96.7 | Very high | 96 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -38.5 | -169.3 | -30.6 | 37.5 | 0 | 0 | 0 | 115 | S409 P413 L452 L456 | S409-P454 CarbonylContact O-C 3.52Å; S409-P454 WeakPolarHBondContact O-CB 3.4Å; P413-P454 HydrophobicContact CG-CG 4.21Å; L452-P454 VanDerWaalsContact O-CD 3.27Å; L452-P454 WeakPolarHBondContact O-CD 3.23Å; P454-L456 VanDerWaalsContact C-N 3.34Å |
| 455 | E | 94 | Very high | 96 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -21.4 | -175.7 | -53.6 | 88.1 | 158.2 | 0 | 0 | 113.3 | F59 R210 H410 I453 | F59-E455 HydrophobicContact CE1-CB 4.49Å; R210-E455 IonicContact CZ-OE1 3.02Å; R210-E455 VanDerWaalsContact CZ-OE1 3.3Å; R210-E455 IonicContact CZ-OE2 3.55Å; R210-E455 IonicContact NE-OE1 2.87Å; R210-E455 PolarHBondContact NE-OE1 3.49Å; R210-E455 IonicContact NE-OE2 3.03Å; R210-E455 VanDerWaalsContact NH2-CD 3.35Å; R210-E455 IonicContact NH2-OE1 3.91Å; R210-E455 PolarHBondContact NH2-OE1 2.88Å; R210-E455 VanDerWaalsContact NH2-OE1 3.07Å; R210-E455 IonicContact NH2-OE2 3.12Å; R210-E455 PolarHBondContact NH2-OE2 2.77Å; H410-E455 IonicContact CE1-OE1 2.65Å; H410-E455 IonicContact CG-OE1 3.08Å; H410-E455 VanDerWaalsContact ND1-CD 3.31Å; H410-E455 WeakPolarHBondContact ND1-CG 3.32Å; H410-E455 IonicContact ND1-OE1 3.44Å; H410-E455 PolarHBondContact ND1-OE1 3.29Å; I453-E455 VanDerWaalsContact C-N 3.27Å; I453-E455 WeakPolarHBondContact CG2-OE2 3.29Å; I453-E455 PolarHBondContact O-N 2.92Å; I453-E455 VanDerWaalsContact O-N 3.13Å |
| 456 | L | 94.9 | Very high | 95.9 | Very high | 67 Ų | 67 | 29 Ų | 29 | 35% | 0.351 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -18.8 | -174.1 | -57.9 | -177.7 | 0 | 0 | 0 | 112.7 | P207 F208 I453 P454 I458 | P207-L456 HydrophobicContact CB-CD1 4.3Å; P207-L456 HydrophobicContact CG-CD2 4.43Å; P207-L456 HydrophobicContact CG-CG 4.47Å; F208-L456 HydrophobicContact CE1-CD1 4.46Å; F208-L456 HydrophobicContact CZ-CD1 4.08Å; I453-L456 HydrophobicContact CB-CB 4.23Å; I453-L456 HydrophobicContact CD1-CD1 4.22Å; I453-L456 HydrophobicContact CG2-CB 4.14Å; I453-L456 HydrophobicContact CG2-CD1 4.03Å; I453-L456 HydrophobicContact CG2-CG 3.95Å; I453-L456 PolarHBondContact O-N 3.33Å; P454-L456 VanDerWaalsContact C-N 3.34Å; L456-I458 WeakPolarHBondContact O-CG1 3.31Å; L456-I458 PolarHBondContact O-N 2.61Å |
| 457 | E | 94.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28.2 | -177.7 | -65.3 | -69.1 | 154.8 | 0 | 0 | 114 | R55 I408 A414 I453 K554 | R55-E457 IonicContact NH2-OE1 3.72Å; I408-E457 HydrophobicContact CD1-CG 4.3Å; I408-E457 HydrophobicContact CG1-CG 4.29Å; A414-E457 WeakPolarHBondContact CB-OE1 3.38Å; A414-E457 PolarHBondContact N-OE1 2.86Å; I453-E457 PolarHBondContact O-N 3.07Å; E457-K554 PolarHBondContact O-NZ 2.69Å |
| 458 | I | 95.4 | Very high | 95.3 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 35% | 0.349 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -126.8 | 146.6 | -176.4 | -64.8 | 163 | 0 | 0 | 0 | 110.3 | I453 L456 E462 T463 | I453-I458 PolarHBondContact N-O 3.19Å; L456-I458 WeakPolarHBondContact O-CG1 3.31Å; L456-I458 PolarHBondContact O-N 2.61Å; I458-E462 HydrophobicContact CG2-CB 3.72Å; I458-T463 HydrophobicContact CG2-CG2 4.1Å |
| 459 | I | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -73.4 | 139.6 | 174.6 | -66.6 | -67.2 | 0 | 0 | 0 | 109.7 | I450 L452 S461 E462 E476 K554 A556 | I450-I459 HydrophobicContact CD1-CD1 4.28Å; L452-I459 HydrophobicContact CD2-CD1 3.63Å; L452-I459 HydrophobicContact CD2-CG1 3.77Å; L452-I459 HydrophobicContact CG-CD1 4.15Å; I459-S461 VanDerWaalsContact C-N 3.26Å; I459-S461 WeakPolarHBondContact CG2-OG 3.46Å; I459-S461 PolarHBondContact O-N 3.46Å; I459-S461 VanDerWaalsContact O-N 3.09Å; I459-E462 PolarHBondContact O-N 2.9Å; I459-E476 HydrophobicContact CD1-CG 4.46Å; I459-E476 HydrophobicContact CG2-CG 4.39Å; I459-E476 WeakPolarHBondContact CG2-OE2 3.3Å; I459-K554 HydrophobicContact CG1-CB 4.33Å; I459-A556 HydrophobicContact CD1-CB 4.06Å | ||
| 460 | P | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -46.3 | -43.3 | -178 | -34.2 | 37.6 | 0 | 0 | 0 | 115.2 | G451 I453 E462 T463 F466 A472 V475 E476 L479 | G451-P460 WeakPolarHBondContact O-CD 3.4Å; I453-P460 HydrophobicContact CG1-CG 4.27Å; P460-E462 PolarHBondContact O-N 2.94Å; P460-T463 WeakPolarHBondContact O-CB 3.34Å; P460-T463 WeakPolarHBondContact O-CG2 3.47Å; P460-T463 PolarHBondContact O-N 3.36Å; P460-T463 PolarHBondContact O-OG1 3.41Å; P460-F466 HydrophobicContact CB-CD2 4.07Å; P460-F466 HydrophobicContact CB-CE2 3.75Å; P460-F466 WeakPolarHBondContact O-CD2 3.5Å; P460-A472 HydrophobicContact CB-CB 4.16Å; P460-V475 HydrophobicContact CB-CB 4.43Å; P460-V475 HydrophobicContact CB-CG1 4.28Å; P460-V475 HydrophobicContact CG-CB 4.31Å; P460-V475 HydrophobicContact CG-CG1 3.84Å; P460-E476 HydrophobicContact CG-CB 4.03Å; P460-L479 HydrophobicContact CG-CD1 3.93Å |
| 461 | S | 95.5 | Very high | 95 | Very high | 46 Ų | 46 | 51.4 Ų | 51.4 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -65 | -23.8 | -179.2 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | I459 | I459-S461 VanDerWaalsContact C-N 3.26Å; I459-S461 WeakPolarHBondContact CG2-OG 3.46Å; I459-S461 PolarHBondContact O-N 3.46Å; I459-S461 VanDerWaalsContact O-N 3.09Å |
| 462 | E | 94.7 | Very high | 95 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -89.4 | -5.8 | 179.8 | -63.6 | -173.5 | 162.7 | 0 | 0 | 112.9 | I458 I459 P460 G464 N555 | I458-E462 HydrophobicContact CG2-CB 3.72Å; I459-E462 PolarHBondContact O-N 2.9Å; P460-E462 PolarHBondContact O-N 2.94Å; E462-G464 VanDerWaalsContact C-N 3.32Å; E462-G464 PolarHBondContact O-N 3.46Å; E462-N555 PolarHBondContact OE1-ND2 3.24Å |
| 463 | T | 95.2 | Very high | 95 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -74.8 | -20.8 | -177.5 | 64.4 | 0 | 0 | 0 | 0 | 114 | F208 I453 I458 P460 Y465 | F208-T463 HydrophobicContact CE1-CG2 4.07Å; F208-T463 HydrophobicContact CZ-CG2 4.48Å; I453-T463 HydrophobicContact CD1-CG2 3.67Å; I458-T463 HydrophobicContact CG2-CG2 4.1Å; P460-T463 WeakPolarHBondContact O-CB 3.34Å; P460-T463 WeakPolarHBondContact O-CG2 3.47Å; P460-T463 PolarHBondContact O-N 3.36Å; P460-T463 PolarHBondContact O-OG1 3.41Å; T463-Y465 PolarHBondContact O-N 3Å; T463-Y465 VanDerWaalsContact O-N 3.15Å; T463-Y465 WeakPolarHBondContact OG1-CB 3.2Å; T463-Y465 PolarHBondContact OG1-N 3.04Å |
| 464 | G | 93.7 | Very high | 95 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 77% | 0.773 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 66.8 | 2.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E462 | E462-G464 VanDerWaalsContact C-N 3.32Å; E462-G464 PolarHBondContact O-N 3.46Å |
| 465 | Y | 95.2 | Very high | 95.1 | Very high | 103 Ų | 103 | 55.8 Ų | 55.8 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | trans | -80.4 | -39.4 | 179.5 | 179.1 | -89.2 | 0 | 0 | 0 | 112.3 | F208 T463 | F208-Y465 HydrophobicContact CB-CD1 4.05Å; F208-Y465 HydrophobicContact CB-CD2 3.99Å; F208-Y465 HydrophobicContact CB-CE1 3.69Å; F208-Y465 HydrophobicContact CB-CE2 3.6Å; F208-Y465 HydrophobicContact CB-CG 4.21Å; F208-Y465 VanDerWaalsContact CB-CZ 3.45Å; F208-Y465 AromaticContact CD1-CD1 3.55Å; F208-Y465 HydrophobicContact CD1-CD1 3.55Å; F208-Y465 AromaticContact CD1-CD2 3.83Å; F208-Y465 HydrophobicContact CD1-CD2 3.83Å; F208-Y465 HydrophobicContact CD1-CE1 4.09Å; F208-Y465 HydrophobicContact CD1-CE2 4.32Å; F208-Y465 AromaticContact CD1-CG 3.42Å; F208-Y465 HydrophobicContact CD1-CG 3.42Å; F208-Y465 VanDerWaalsContact CD1-CG 3.42Å; F208-Y465 AromaticContact CD2-CD2 3.6Å; F208-Y465 HydrophobicContact CD2-CD2 3.6Å; F208-Y465 AromaticContact CD2-CE2 3.87Å; F208-Y465 HydrophobicContact CD2-CE2 3.87Å; F208-Y465 HydrophobicContact CD2-CG 4.08Å; F208-Y465 VanDerWaalsContact CE1-CB 3.5Å; F208-Y465 HydrophobicContact CE1-CD1 4.17Å; F208-Y465 HydrophobicContact CE1-CD2 4.18Å; F208-Y465 AromaticContact CE1-CG 3.69Å; F208-Y465 HydrophobicContact CE1-CG 3.69Å; F208-Y465 AromaticContact CE2-CD2 3.98Å; F208-Y465 HydrophobicContact CE2-CD2 3.98Å; F208-Y465 HydrophobicContact CE2-CG 4.31Å; F208-Y465 AromaticContact CG-CD1 3.88Å; F208-Y465 HydrophobicContact CG-CD1 3.88Å; F208-Y465 AromaticContact CG-CD2 3.52Å; F208-Y465 HydrophobicContact CG-CD2 3.52Å; F208-Y465 HydrophobicContact CG-CE1 4.04Å; F208-Y465 AromaticContact CG-CE2 3.67Å; F208-Y465 HydrophobicContact CG-CE2 3.67Å; F208-Y465 AromaticContact CG-CG 3.63Å; F208-Y465 HydrophobicContact CG-CG 3.63Å; F208-Y465 AromaticContact CG-CZ 3.94Å; F208-Y465 HydrophobicContact CZ-CD2 4.25Å; F208-Y465 HydrophobicContact CZ-CG 4.13Å; T463-Y465 PolarHBondContact O-N 3Å; T463-Y465 VanDerWaalsContact O-N 3.15Å; T463-Y465 WeakPolarHBondContact OG1-CB 3.2Å; T463-Y465 PolarHBondContact OG1-N 3.04Å | ||
| 466 | F | 94.1 | Very high | 95.3 | Very high | 28 Ų | 28 | 55 Ų | 55 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | trans | -82.8 | 122 | -178 | -61.1 | -81.7 | 0 | 0 | 0 | 110.5 | F208 L211 P460 E471 A472 V475 | F208-F466 HydrophobicContact CD1-CE2 4.48Å; L211-F466 HydrophobicContact CD1-CZ 4.26Å; P460-F466 HydrophobicContact CB-CD2 4.07Å; P460-F466 HydrophobicContact CB-CE2 3.75Å; P460-F466 WeakPolarHBondContact O-CD2 3.5Å; F466-E471 HydrophobicContact CD1-CB 4.32Å; F466-E471 HydrophobicContact CD1-CG 3.74Å; F466-E471 HydrophobicContact CE1-CG 4.23Å; F466-A472 HydrophobicContact CB-CB 3.98Å; F466-A472 HydrophobicContact CD2-CB 4.3Å; F466-A472 HydrophobicContact CG-CB 4.16Å; F466-V475 HydrophobicContact CE1-CG2 3.84Å; F466-V475 HydrophobicContact CZ-CB 4.32Å; F466-V475 HydrophobicContact CZ-CG1 4.15Å; F466-V475 HydrophobicContact CZ-CG2 4Å | ||
| 467 | S | 89.1 | Confident | 95.4 | Very high | 126 Ų | 126 | 51.8 Ų | 51.8 | 88% | 0.881 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -78.7 | -26.7 | 179.7 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 468 | D | 92.3 | Very high | 95.6 | Very high | 86 Ų | 86 | 51.4 Ų | 51.4 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -107.2 | 131.6 | 176.6 | -176.8 | 6.5 | 0 | 0 | 0 | 109.8 | F470 E471 A472 | D468-F470 PolarHBondContact O-N 3.4Å; D468-F470 PolarHBondContact OD1-N 3Å; D468-E471 HydrophobicContact CB-CB 4.15Å; D468-E471 PolarHBondContact O-N 3.16Å; D468-A472 PolarHBondContact O-N 2.73Å |
| 469 | H | 92.4 | Very high | 95.8 | Very high | 130 Ų | 130 | 48.2 Ų | 48.2 | 60% | 0.602 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.8 | -31.2 | 177 | -163.4 | 73.3 | 0 | 0 | 0 | 111.7 | A472 L473 | H469-A472 PolarHBondContact O-N 2.84Å; H469-L473 PolarHBondContact O-N 3.17Å |
| 470 | F | 95.5 | Very high | 95.9 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 176.9 | -170.4 | -101 | 0 | 0 | 0 | 111.6 | D468 A472 L473 E474 V511 | D468-F470 PolarHBondContact O-N 3.4Å; D468-F470 PolarHBondContact OD1-N 3Å; F470-A472 VanDerWaalsContact C-N 3.29Å; F470-A472 PolarHBondContact O-N 2.9Å; F470-L473 HydrophobicContact CD2-CD2 4.19Å; F470-L473 HydrophobicContact CE2-CD2 4.32Å; F470-L473 WeakPolarHBondContact O-CB 3.38Å; F470-L473 PolarHBondContact O-N 2.84Å; F470-L473 VanDerWaalsContact O-N 3.13Å; F470-E474 HydrophobicContact CD1-CG 3.9Å; F470-E474 HydrophobicContact CE1-CG 3.6Å; F470-E474 VanDerWaalsContact CE1-OE1 3.25Å; F470-E474 WeakPolarHBondContact CE1-OE1 3.48Å; F470-E474 HydrophobicContact CZ-CG 4.09Å; F470-E474 WeakPolarHBondContact O-CG 3.43Å; F470-E474 PolarHBondContact O-N 3.13Å; F470-V511 HydrophobicContact CD2-CG1 4.47Å; F470-V511 HydrophobicContact CE2-CG1 4.2Å |
| 471 | E | 96 | Very high | 95.9 | Very high | 80 Ų | 80 | 48.2 Ų | 48.2 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 174.8 | -169.7 | -174.4 | -179.6 | 0 | 0 | 111.5 | F466 D468 E474 V475 | F466-E471 HydrophobicContact CD1-CB 4.32Å; F466-E471 HydrophobicContact CD1-CG 3.74Å; F466-E471 HydrophobicContact CE1-CG 4.23Å; D468-E471 HydrophobicContact CB-CB 4.15Å; D468-E471 PolarHBondContact O-N 3.16Å; E471-E474 PolarHBondContact O-N 2.84Å; E471-V475 WeakPolarHBondContact O-CG2 3.37Å; E471-V475 PolarHBondContact O-N 3.26Å; E471-V475 VanDerWaalsContact O-N 3.08Å |
| 472 | A | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P460 F466 D468 H469 F470 V475 E476 | P460-A472 HydrophobicContact CB-CB 4.16Å; F466-A472 HydrophobicContact CB-CB 3.98Å; F466-A472 HydrophobicContact CD2-CB 4.3Å; F466-A472 HydrophobicContact CG-CB 4.16Å; D468-A472 PolarHBondContact O-N 2.73Å; H469-A472 PolarHBondContact O-N 2.84Å; F470-A472 VanDerWaalsContact C-N 3.29Å; F470-A472 PolarHBondContact O-N 2.9Å; A472-V475 PolarHBondContact O-N 2.97Å; A472-E476 WeakPolarHBondContact O-CB 3.37Å; A472-E476 PolarHBondContact O-N 3.17Å |
| 473 | L | 97.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.6 | 167.3 | 63.6 | 0 | 0 | 0 | 112.1 | H469 F470 E476 S477 V511 Q515 T557 V558 | H469-L473 PolarHBondContact O-N 3.17Å; F470-L473 HydrophobicContact CD2-CD2 4.19Å; F470-L473 HydrophobicContact CE2-CD2 4.32Å; F470-L473 WeakPolarHBondContact O-CB 3.38Å; F470-L473 PolarHBondContact O-N 2.84Å; F470-L473 VanDerWaalsContact O-N 3.13Å; L473-E476 PolarHBondContact O-N 3.02Å; L473-S477 WeakPolarHBondContact O-CB 3.38Å; L473-S477 PolarHBondContact O-N 3.17Å; L473-S477 PolarHBondContact O-OG 3.18Å; L473-V511 HydrophobicContact CD2-CG1 4.04Å; L473-Q515 HydrophobicContact CD2-CB 4.43Å; L473-Q515 HydrophobicContact CG-CB 4.45Å; L473-Q515 HydrophobicContact CG-CG 4.32Å; L473-T557 HydrophobicContact CD1-CG2 4.3Å; L473-T557 VanDerWaalsContact CD1-OG1 3.22Å; L473-T557 WeakPolarHBondContact CD1-OG1 3.5Å; L473-V558 HydrophobicContact CD1-CG2 4.47Å |
| 474 | E | 97.7 | Very high | 96.2 | Very high | 75 Ų | 75 | 40.7 Ų | 40.7 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.6 | -49.2 | 176.9 | -66.2 | -161.5 | 131.8 | 0 | 0 | 110.4 | F470 E471 E476 S477 W478 | F470-E474 HydrophobicContact CD1-CG 3.9Å; F470-E474 HydrophobicContact CE1-CG 3.6Å; F470-E474 VanDerWaalsContact CE1-OE1 3.25Å; F470-E474 WeakPolarHBondContact CE1-OE1 3.48Å; F470-E474 HydrophobicContact CZ-CG 4.09Å; F470-E474 WeakPolarHBondContact O-CG 3.43Å; F470-E474 PolarHBondContact O-N 3.13Å; E471-E474 PolarHBondContact O-N 2.84Å; E474-E476 PolarHBondContact O-N 3.1Å; E474-S477 PolarHBondContact O-N 2.67Å; E474-W478 PolarHBondContact O-N 3.3Å |
| 475 | V | 98.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 178.8 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L211 I214 P460 F466 E471 A472 S477 W478 L479 | L211-V475 HydrophobicContact CB-CG1 4.28Å; L211-V475 HydrophobicContact CD1-CG1 4.06Å; L211-V475 HydrophobicContact CD2-CG1 3.93Å; L211-V475 HydrophobicContact CG-CG1 4.29Å; I214-V475 HydrophobicContact CG2-CG2 4.46Å; P460-V475 HydrophobicContact CB-CB 4.43Å; P460-V475 HydrophobicContact CB-CG1 4.28Å; P460-V475 HydrophobicContact CG-CB 4.31Å; P460-V475 HydrophobicContact CG-CG1 3.84Å; F466-V475 HydrophobicContact CE1-CG2 3.84Å; F466-V475 HydrophobicContact CZ-CB 4.32Å; F466-V475 HydrophobicContact CZ-CG1 4.15Å; F466-V475 HydrophobicContact CZ-CG2 4Å; E471-V475 WeakPolarHBondContact O-CG2 3.37Å; E471-V475 PolarHBondContact O-N 3.26Å; E471-V475 VanDerWaalsContact O-N 3.08Å; A472-V475 PolarHBondContact O-N 2.97Å; V475-S477 PolarHBondContact O-N 3.09Å; V475-W478 PolarHBondContact O-N 3.32Å; V475-L479 HydrophobicContact CG1-CD1 3.79Å; V475-L479 HydrophobicContact CG1-CG 4.31Å; V475-L479 WeakPolarHBondContact O-CB 3.42Å; V475-L479 VanDerWaalsContact O-CG 3.3Å; V475-L479 WeakPolarHBondContact O-CG 3.25Å; V475-L479 PolarHBondContact O-N 3.27Å |
| 476 | E | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.3 | -169.7 | -173 | 157.9 | 0 | 0 | 111.9 | G451 I459 P460 A472 L473 E474 W478 L479 S480 A556 T557 | G451-E476 WeakPolarHBondContact CA-O 3.24Å; I459-E476 HydrophobicContact CD1-CG 4.46Å; I459-E476 HydrophobicContact CG2-CG 4.39Å; I459-E476 WeakPolarHBondContact CG2-OE2 3.3Å; P460-E476 HydrophobicContact CG-CB 4.03Å; A472-E476 WeakPolarHBondContact O-CB 3.37Å; A472-E476 PolarHBondContact O-N 3.17Å; L473-E476 PolarHBondContact O-N 3.02Å; E474-E476 PolarHBondContact O-N 3.1Å; E476-W478 VanDerWaalsContact C-N 3.35Å; E476-W478 PolarHBondContact O-N 3.39Å; E476-L479 PolarHBondContact O-N 2.82Å; E476-S480 PolarHBondContact O-N 3.42Å; E476-S480 PolarHBondContact O-OG 2.99Å; E476-A556 VanDerWaalsContact OE1-CA 3.28Å; E476-A556 WeakPolarHBondContact OE1-CA 3.3Å; E476-A556 WeakPolarHBondContact OE1-CB 3.35Å; E476-T557 PolarHBondContact OE1-N 2.88Å; E476-T557 PolarHBondContact OE1-OG1 3.38Å; E476-T557 PolarHBondContact OE2-OG1 2.91Å |
| 477 | S | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -40.2 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 112 | L473 E474 V475 S480 L481 Q515 | L473-S477 WeakPolarHBondContact O-CB 3.38Å; L473-S477 PolarHBondContact O-N 3.17Å; L473-S477 PolarHBondContact O-OG 3.18Å; E474-S477 PolarHBondContact O-N 2.67Å; V475-S477 PolarHBondContact O-N 3.09Å; S477-S480 PolarHBondContact O-OG 3.21Å; S477-L481 PolarHBondContact O-N 2.94Å; S477-Q515 WeakPolarHBondContact OG-CG 3.23Å |
| 478 | W | 98.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 26.4 Ų | 26.4 | 5% | 0.053 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.1 | -41.2 | 173.9 | -75.9 | 113.3 | 0 | 0 | 0 | 112.9 | I214 T218 E474 V475 E476 R482 C519 Q522 A523 | I214-W478 HydrophobicContact CG1-CB 3.8Å; I214-W478 HydrophobicContact CG2-CB 3.93Å; I214-W478 HydrophobicContact CG2-CG 4.19Å; T218-W478 HydrophobicContact CG2-CE3 4.07Å; T218-W478 HydrophobicContact CG2-CZ3 4.3Å; E474-W478 PolarHBondContact O-N 3.3Å; V475-W478 PolarHBondContact O-N 3.32Å; E476-W478 VanDerWaalsContact C-N 3.35Å; E476-W478 PolarHBondContact O-N 3.39Å; W478-R482 WeakPolarHBondContact O-CB 3.16Å; W478-R482 PolarHBondContact O-N 3.26Å; W478-C519 HydrophobicContact CD2-CB 4.24Å; W478-C519 VanDerWaalsContact CE2-SG 3.54Å; W478-C519 HydrophobicContact CE3-CB 4.28Å; W478-C519 HydrophobicContact CH2-CB 4.42Å; W478-C519 HydrophobicContact CZ2-CB 4.36Å; W478-C519 HydrophobicContact CZ3-CB 4.39Å; W478-Q522 HydrophobicContact CH2-CB 4.02Å; W478-A523 HydrophobicContact CH2-CB 4.39Å; W478-A523 HydrophobicContact CZ3-CB 3.72Å |
| 479 | L | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.9 | -51.3 | 178.9 | -78.5 | 170.1 | 0 | 0 | 0 | 111.2 | L211 I214 G451 I453 P460 V475 E476 L481 R482 H483 | L211-L479 HydrophobicContact CD2-CD1 3.95Å; L211-L479 HydrophobicContact CD2-CD2 3.81Å; L211-L479 HydrophobicContact CD2-CG 4.12Å; I214-L479 HydrophobicContact CD1-CD2 4.07Å; I214-L479 HydrophobicContact CG1-CD2 4.41Å; I214-L479 HydrophobicContact CG1-CG 4.5Å; G451-L479 WeakPolarHBondContact O-CD1 3.41Å; I453-L479 HydrophobicContact CG1-CD1 3.92Å; P460-L479 HydrophobicContact CG-CD1 3.93Å; V475-L479 HydrophobicContact CG1-CD1 3.79Å; V475-L479 HydrophobicContact CG1-CG 4.31Å; V475-L479 WeakPolarHBondContact O-CB 3.42Å; V475-L479 VanDerWaalsContact O-CG 3.3Å; V475-L479 WeakPolarHBondContact O-CG 3.25Å; V475-L479 PolarHBondContact O-N 3.27Å; E476-L479 PolarHBondContact O-N 2.82Å; L479-L481 VanDerWaalsContact C-N 3.29Å; L479-L481 PolarHBondContact O-N 3.37Å; L479-R482 PolarHBondContact O-N 3.39Å; L479-R482 VanDerWaalsContact O-N 3.09Å; L479-H483 PolarHBondContact O-CD2 3.18Å; L479-H483 PolarHBondContact O-CE1 3.44Å; L479-H483 PolarHBondContact O-N 3.21Å; L479-H483 PolarHBondContact O-ND1 3.09Å; L479-H483 PolarHBondContact O-NE2 3.07Å |
| 480 | S | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55.7 | -44.9 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | E476 S477 H483 C484 | E476-S480 PolarHBondContact O-N 3.42Å; E476-S480 PolarHBondContact O-OG 2.99Å; S477-S480 PolarHBondContact O-OG 3.21Å; S480-H483 PolarHBondContact O-N 3Å; S480-C484 PolarHBondContact O-N 3.06Å; S480-C484 PolarHBondContact O-SG 3.38Å |
| 481 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 175.7 | -178.8 | 60.3 | 0 | 0 | 0 | 112.9 | S477 L479 H483 C484 H485 W497 C519 F520 A523 W562 | S477-L481 PolarHBondContact O-N 2.94Å; L479-L481 VanDerWaalsContact C-N 3.29Å; L479-L481 PolarHBondContact O-N 3.37Å; L481-H483 VanDerWaalsContact C-N 3.32Å; L481-H483 PolarHBondContact O-N 3.19Å; L481-C484 WeakPolarHBondContact O-CB 3.27Å; L481-C484 PolarHBondContact O-N 3.22Å; L481-H485 PolarHBondContact O-N 2.9Å; L481-W497 HydrophobicContact CD1-CH2 4.04Å; L481-C519 HydrophobicContact CD2-CB 4.12Å; L481-F520 HydrophobicContact CD1-CD2 3.93Å; L481-F520 HydrophobicContact CD2-CB 4.48Å; L481-A523 HydrophobicContact CD2-CB 3.7Å; L481-W562 HydrophobicContact CD1-CH2 3.92Å; L481-W562 HydrophobicContact CD1-CZ2 3.66Å |
| 482 | R | 97.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 16.7 Ų | 16.7 | 8% | 0.083 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.8 | -36.9 | 179.4 | -167.2 | -179.1 | -168.4 | 171.1 | 1.3 | 111.6 | T218 E221 W478 L479 H485 R486 | T218-R482 HydrophobicContact CG2-CB 3.88Å; T218-R482 HydrophobicContact CG2-CG 4.06Å; T218-R482 WeakPolarHBondContact OG1-CD 3.37Å; E221-R482 IonicContact OE2-CZ 3.7Å; E221-R482 IonicContact OE2-NE 3.95Å; E221-R482 PolarHBondContact OE2-NE 3.38Å; E221-R482 IonicContact OE2-NH2 2.73Å; E221-R482 PolarHBondContact OE2-NH2 3.08Å; W478-R482 WeakPolarHBondContact O-CB 3.16Å; W478-R482 PolarHBondContact O-N 3.26Å; L479-R482 PolarHBondContact O-N 3.39Å; L479-R482 VanDerWaalsContact O-N 3.09Å; R482-H485 WeakPolarHBondContact O-CB 3.3Å; R482-H485 PolarHBondContact O-N 3.35Å; R482-R486 HydrophobicContact CG-CG 4.5Å; R482-R486 WeakPolarHBondContact O-CB 3.29Å; R482-R486 WeakPolarHBondContact O-CG 3.45Å; R482-R486 PolarHBondContact O-N 2.91Å |
| 483 | H | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 176.5 | -58.9 | -21.9 | 0 | 0 | 0 | 110.9 | P413 I450 L452 L479 S480 L481 H485 R486 I487 | P413-H483 VanDerWaalsContact CD-CD2 3.43Å; P413-H483 WeakPolarHBondContact CD-CD2 3.34Å; P413-H483 VanDerWaalsContact CD-CE1 3.49Å; P413-H483 WeakPolarHBondContact CD-CE1 3.31Å; P413-H483 VanDerWaalsContact CD-CG 3.42Å; P413-H483 WeakPolarHBondContact CD-ND1 3.4Å; P413-H483 WeakPolarHBondContact CD-NE2 3.43Å; P413-H483 VanDerWaalsContact CG-CD2 3.47Å; P413-H483 WeakPolarHBondContact CG-CD2 3.35Å; P413-H483 VanDerWaalsContact CG-NE2 3.32Å; P413-H483 WeakPolarHBondContact CG-NE2 3.33Å; I450-H483 PolarHBondContact O-CD2 3.42Å; L452-H483 PolarHBondContact O-CE1 3.35Å; L452-H483 PolarHBondContact O-NE2 3.46Å; L479-H483 PolarHBondContact O-CD2 3.18Å; L479-H483 PolarHBondContact O-CE1 3.44Å; L479-H483 PolarHBondContact O-N 3.21Å; L479-H483 PolarHBondContact O-ND1 3.09Å; L479-H483 PolarHBondContact O-NE2 3.07Å; S480-H483 PolarHBondContact O-N 3Å; L481-H483 VanDerWaalsContact C-N 3.32Å; L481-H483 PolarHBondContact O-N 3.19Å; H483-H485 VanDerWaalsContact C-N 3.32Å; H483-H485 PolarHBondContact O-N 3.07Å; H483-R486 PolarHBondContact O-N 3.22Å; H483-I487 VanDerWaalsContact O-CG1 3.31Å; H483-I487 WeakPolarHBondContact O-CG1 3.34Å; H483-I487 PolarHBondContact O-N 2.89Å |
| 484 | C | 96.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.4 | -45.7 | 174.4 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | Q449 S480 L481 R486 I487 M488 W560 W562 | Q449-C484 WeakPolarHBondContact CB-SG 3.06Å; Q449-C484 WeakPolarHBondContact CG-SG 3.45Å; S480-C484 PolarHBondContact O-N 3.06Å; S480-C484 PolarHBondContact O-SG 3.38Å; L481-C484 WeakPolarHBondContact O-CB 3.27Å; L481-C484 PolarHBondContact O-N 3.22Å; C484-R486 PolarHBondContact O-N 3.27Å; C484-I487 PolarHBondContact O-N 2.95Å; C484-M488 WeakPolarHBondContact O-CB 3.45Å; C484-M488 PolarHBondContact O-N 3.27Å; C484-W560 WeakPolarHBondContact SG-CB 3.35Å; C484-W562 HydrophobicContact CB-CD2 3.85Å; C484-W562 HydrophobicContact CB-CE3 3.61Å; C484-W562 HydrophobicContact CB-CH2 3.02Å; C484-W562 HydrophobicContact CB-CZ2 3.35Å; C484-W562 HydrophobicContact CB-CZ3 3.22Å |
| 485 | H | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 177.2 | 172.6 | 56.6 | 0 | 0 | 0 | 112.3 | E221 I222 D225 L481 R482 H483 M488 K489 W497 | E221-H485 IonicContact OE1-CD2 3.3Å; I222-H485 HydrophobicContact CD1-CB 4.31Å; I222-H485 HydrophobicContact CG1-CB 4.11Å; I222-H485 VanDerWaalsContact CG1-CG 3.46Å; D225-H485 IonicContact OD2-CE1 2.86Å; D225-H485 IonicContact OD2-NE2 3.07Å; D225-H485 PolarHBondContact OD2-NE2 3.28Å; L481-H485 PolarHBondContact O-N 2.9Å; R482-H485 WeakPolarHBondContact O-CB 3.3Å; R482-H485 PolarHBondContact O-N 3.35Å; H483-H485 VanDerWaalsContact C-N 3.32Å; H483-H485 PolarHBondContact O-N 3.07Å; H485-M488 WeakPolarHBondContact O-CB 3.45Å; H485-M488 PolarHBondContact O-N 3.06Å; H485-K489 WeakPolarHBondContact O-CB 3.22Å; H485-K489 PolarHBondContact O-N 3.03Å; H485-W497 HydrophobicContact CB-CZ2 3.94Å; H485-W497 AromaticContact CE1-NE1 3.68Å; H485-W497 AromaticContact ND1-CE2 3.73Å; H485-W497 AromaticContact ND1-CZ2 3.98Å; H485-W497 AromaticContact ND1-NE1 3.13Å; H485-W497 PolarHBondContact ND1-NE1 3.18Å; H485-W497 VanDerWaalsContact ND1-NE1 3.13Å |
| 486 | R | 96.5 | Very high | 93.7 | Very high | 31 Ų | 31 | 19.5 Ų | 19.5 | 12% | 0.117 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | -178.6 | -79.2 | -179.8 | 172.5 | -172.4 | -13.8 | 112.7 | E221 H410 W411 R482 H483 C484 K489 Y490 | E221-R486 WeakPolarHBondContact OE1-CG 3.23Å; E221-R486 IonicContact OE1-CZ 3.43Å; E221-R486 IonicContact OE1-NE 2.77Å; E221-R486 PolarHBondContact OE1-NE 3.4Å; E221-R486 IonicContact OE1-NH2 3.13Å; E221-R486 IonicContact OE2-CZ 3.05Å; E221-R486 IonicContact OE2-NE 3.75Å; E221-R486 PolarHBondContact OE2-NE 3.41Å; E221-R486 IonicContact OE2-NH2 2.81Å; E221-R486 PolarHBondContact OE2-NH2 3.38Å; H410-R486 PolarHBondContact O-NH1 3.39Å; W411-R486 HydrophobicContact CZ2-CB 4.39Å; W411-R486 WeakPolarHBondContact CZ2-O 3.42Å; W411-R486 WeakPolarHBondContact O-CD 3.34Å; W411-R486 PolarHBondContact O-NH1 3.26Å; R482-R486 HydrophobicContact CG-CG 4.5Å; R482-R486 WeakPolarHBondContact O-CB 3.29Å; R482-R486 WeakPolarHBondContact O-CG 3.45Å; R482-R486 PolarHBondContact O-N 2.91Å; H483-R486 PolarHBondContact O-N 3.22Å; C484-R486 PolarHBondContact O-N 3.27Å; R486-K489 WeakPolarHBondContact O-CB 3.23Å; R486-K489 PolarHBondContact O-N 3.07Å; R486-Y490 PolarHBondContact O-N 2.94Å |
| 487 | I | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 173.7 | -62.9 | 165.5 | 0 | 0 | 0 | 110.1 | L403 W411 Q421 A422 Y446 Q449 H483 C484 K489 Y490 M491 | L403-I487 HydrophobicContact CD2-CB 4.48Å; L403-I487 HydrophobicContact CD2-CG1 4.27Å; L403-I487 HydrophobicContact CD2-CG2 3.71Å; W411-I487 HydrophobicContact CH2-CG1 3.93Å; W411-I487 HydrophobicContact CZ2-CG1 4.34Å; Q421-I487 HydrophobicContact CB-CD1 4.47Å; A422-I487 HydrophobicContact CB-CG2 3.85Å; Y446-I487 HydrophobicContact CD1-CB 4.35Å; Y446-I487 HydrophobicContact CD1-CG2 3.58Å; Y446-I487 HydrophobicContact CE1-CG2 3.82Å; Q449-I487 HydrophobicContact CG-CD1 4.16Å; H483-I487 VanDerWaalsContact O-CG1 3.31Å; H483-I487 WeakPolarHBondContact O-CG1 3.34Å; H483-I487 PolarHBondContact O-N 2.89Å; C484-I487 PolarHBondContact O-N 2.95Å; I487-K489 VanDerWaalsContact C-N 3.35Å; I487-K489 PolarHBondContact O-N 3.48Å; I487-Y490 PolarHBondContact O-N 2.87Å; I487-M491 HydrophobicContact CG2-CG 4.23Å; I487-M491 WeakPolarHBondContact O-CB 3.36Å; I487-M491 VanDerWaalsContact O-CG 3.31Å; I487-M491 WeakPolarHBondContact O-CG 3.28Å; I487-M491 PolarHBondContact O-N 3.26Å |
| 488 | M | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 174.4 | -178.4 | -168.7 | -72.9 | 0 | 0 | 111.9 | Y446 C484 H485 Y490 M491 A492 I496 W497 L500 W562 T564 | Y446-M488 HydrophobicContact CE1-CB 4.24Å; C484-M488 WeakPolarHBondContact O-CB 3.45Å; C484-M488 PolarHBondContact O-N 3.27Å; H485-M488 WeakPolarHBondContact O-CB 3.45Å; H485-M488 PolarHBondContact O-N 3.06Å; M488-Y490 VanDerWaalsContact C-N 3.31Å; M488-Y490 PolarHBondContact O-N 3.43Å; M488-M491 PolarHBondContact O-N 3Å; M488-A492 CarbonylContact O-C 3.42Å; M488-A492 WeakPolarHBondContact O-CA 3.26Å; M488-A492 PolarHBondContact O-N 2.99Å; M488-I496 HydrophobicContact SD-CG2 4.18Å; M488-W497 HydrophobicContact CE-CD2 4.38Å; M488-W497 HydrophobicContact CE-CE3 3.99Å; M488-W497 HydrophobicContact CE-CZ3 4.23Å; M488-W497 HydrophobicContact SD-CD2 4.09Å; M488-W497 HydrophobicContact SD-CE3 4.29Å; M488-W497 HydrophobicContact SD-CG 4.37Å; M488-W497 PolarHBondContact SD-N 2.92Å; M488-W497 VanDerWaalsContact SD-N 3.36Å; M488-L500 HydrophobicContact CE-CD1 4.35Å; M488-W562 HydrophobicContact CE-CE3 3.37Å; M488-W562 HydrophobicContact CE-CZ3 3.39Å; M488-T564 HydrophobicContact CE-CG2 3.58Å; M488-T564 HydrophobicContact CG-CG2 4.33Å; M488-T564 HydrophobicContact SD-CG2 4.39Å |
| 489 | K | 93.4 | Very high | 91.8 | Very high | 70 Ų | 70 | 22.5 Ų | 22.5 | 30% | 0.304 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -58.5 | -42.9 | 176.1 | 177.6 | -174.6 | -170.1 | 157.3 | 0 | 111.6 | D225 H485 R486 I487 P493 I496 | D225-K489 VanDerWaalsContact OD1-CE 3.31Å; D225-K489 WeakPolarHBondContact OD1-CE 3.21Å; D225-K489 IonicContact OD1-NZ 3.17Å; D225-K489 PolarHBondContact OD1-NZ 3.1Å; D225-K489 VanDerWaalsContact OD2-CD 3.23Å; D225-K489 WeakPolarHBondContact OD2-CD 3.4Å; D225-K489 VanDerWaalsContact OD2-CE 3.23Å; D225-K489 WeakPolarHBondContact OD2-CE 3.41Å; D225-K489 IonicContact OD2-NZ 3.79Å; D225-K489 PolarHBondContact OD2-NZ 2.66Å; H485-K489 WeakPolarHBondContact O-CB 3.22Å; H485-K489 PolarHBondContact O-N 3.03Å; R486-K489 WeakPolarHBondContact O-CB 3.23Å; R486-K489 PolarHBondContact O-N 3.07Å; I487-K489 VanDerWaalsContact C-N 3.35Å; I487-K489 PolarHBondContact O-N 3.48Å; K489-P493 WeakPolarHBondContact O-CA 3.34Å; K489-P493 VanDerWaalsContact O-CB 3.28Å; K489-P493 WeakPolarHBondContact O-CB 3.25Å; K489-P493 WeakPolarHBondContact O-CD 3.42Å; K489-I496 HydrophobicContact CB-CD1 3.96Å; K489-I496 HydrophobicContact CG-CD1 3.88Å |
| 490 | Y | 92.3 | Very high | 91.5 | Very high | 61 Ų | 61 | 23.5 Ų | 23.5 | 24% | 0.239 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.5 | -44.7 | 177.4 | -178.4 | -84.3 | 0 | 0 | 0 | 111.7 | D39 W61 L403 W411 R486 I487 M488 | D39-Y490 PolarHBondContact OD1-OH 3.16Å; D39-Y490 WeakPolarHBondContact OD2-CE2 3.21Å; D39-Y490 PolarHBondContact OD2-OH 3.03Å; W61-Y490 HydrophobicContact CZ2-CE2 4.08Å; L403-Y490 HydrophobicContact CB-CE1 4.47Å; L403-Y490 HydrophobicContact CD1-CD1 3.84Å; L403-Y490 HydrophobicContact CD1-CE1 3.58Å; L403-Y490 HydrophobicContact CD1-CG 4.49Å; L403-Y490 HydrophobicContact CD2-CD1 4.42Å; L403-Y490 HydrophobicContact CG-CD1 4.49Å; W411-Y490 HydrophobicContact CZ2-CG 4.29Å; R486-Y490 PolarHBondContact O-N 2.94Å; I487-Y490 PolarHBondContact O-N 2.87Å; M488-Y490 VanDerWaalsContact C-N 3.31Å; M488-Y490 PolarHBondContact O-N 3.43Å |
| 491 | M | 90.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 24 Ų | 24 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -78.7 | -35.8 | -174.1 | -66.7 | -59.4 | -67.7 | 0 | 0 | 114.2 | R401 L403 A422 A424 T444 Y446 I487 M488 | R401-M491 WeakPolarHBondContact O-CE 3.47Å; L403-M491 HydrophobicContact CB-SD 3.64Å; A422-M491 HydrophobicContact CB-CE 4.05Å; A422-M491 HydrophobicContact CB-CG 3.67Å; A422-M491 HydrophobicContact CB-SD 4.04Å; A424-M491 HydrophobicContact CB-CE 3.86Å; T444-M491 HydrophobicContact CG2-CB 4.01Å; T444-M491 HydrophobicContact CG2-CE 4.02Å; T444-M491 HydrophobicContact CG2-CG 4.25Å; Y446-M491 HydrophobicContact CE1-CB 4.3Å; Y446-M491 HydrophobicContact CE1-CG 4.26Å; I487-M491 HydrophobicContact CG2-CG 4.23Å; I487-M491 WeakPolarHBondContact O-CB 3.36Å; I487-M491 VanDerWaalsContact O-CG 3.31Å; I487-M491 WeakPolarHBondContact O-CG 3.28Å; I487-M491 PolarHBondContact O-N 3.26Å; M488-M491 PolarHBondContact O-N 3Å |
| 492 | A | 87.1 | Confident | 90.9 | Very high | 22 Ų | 22 | 24.1 Ų | 24.1 | 18% | 0.182 | 13% | 0.126 | C | C | . | . | trans | -140.6 | 58.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M488 S494 N495 I496 | M488-A492 CarbonylContact O-C 3.42Å; M488-A492 WeakPolarHBondContact O-CA 3.26Å; M488-A492 PolarHBondContact O-N 2.99Å; A492-S494 PolarHBondContact O-N 3.41Å; A492-N495 PolarHBondContact O-N 2.87Å; A492-I496 WeakPolarHBondContact O-CG1 3.2Å; A492-I496 PolarHBondContact O-N 3.23Å | ||
| 493 | P | 85.7 | Confident | 90.8 | Very high | 55 Ų | 55 | 23.1 Ų | 23.1 | 36% | 0.357 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.3 | -172.2 | 22.4 | -33.5 | 0 | 0 | 0 | 114.7 | K489 | K489-P493 WeakPolarHBondContact O-CA 3.34Å; K489-P493 VanDerWaalsContact O-CB 3.28Å; K489-P493 WeakPolarHBondContact O-CB 3.25Å; K489-P493 WeakPolarHBondContact O-CD 3.42Å |
| 494 | S | 83.4 | Confident | 90.8 | Very high | 65 Ų | 65 | 23.1 Ų | 23.1 | 46% | 0.455 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -18 | -176.7 | -55.7 | 0 | 0 | 0 | 0 | 114.1 | A492 | A492-S494 PolarHBondContact O-N 3.41Š|
| 495 | N | 81.6 | Confident | 90.9 | Very high | 32 Ų | 32 | 22.9 Ų | 22.9 | 17% | 0.171 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -131.2 | 28.9 | -173.3 | -68.4 | -51.5 | 0 | 0 | 0 | 112 | A492 W497 M498 N499 | A492-N495 PolarHBondContact O-N 2.87Å; N495-W497 PolarHBondContact O-N 3.05Å; N495-M498 PolarHBondContact O-N 2.6Å; N495-N499 HydrophobicContact CB-CB 4.09Å; N495-N499 WeakPolarHBondContact CB-ND2 3.06Å; N495-N499 PolarHBondContact O-N 2.83Å |
| 496 | I | 88.6 | Confident | 91 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 126.8 | 179.9 | -63.1 | 174.8 | 0 | 0 | 0 | 109.3 | D225 M488 K489 A492 M498 | D225-I496 HydrophobicContact CB-CD1 3.93Å; M488-I496 HydrophobicContact SD-CG2 4.18Å; K489-I496 HydrophobicContact CB-CD1 3.96Å; K489-I496 HydrophobicContact CG-CD1 3.88Å; A492-I496 WeakPolarHBondContact O-CG1 3.2Å; A492-I496 PolarHBondContact O-N 3.23Å; I496-M498 PolarHBondContact O-N 2.72Å |
| 497 | W | 89.5 | Confident | 91.1 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 4% | 0.038 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -17.7 | -177.7 | -58.4 | 119.3 | 0 | 0 | 0 | 117.7 | I222 F226 L481 H485 M488 N495 N499 L500 F520 V524 T528 W562 | I222-W497 HydrophobicContact CD1-CZ2 3.9Å; I222-W497 HydrophobicContact CG1-CZ2 4.22Å; I222-W497 VanDerWaalsContact CG2-NE1 3.27Å; F226-W497 HydrophobicContact CD2-CB 4.19Å; L481-W497 HydrophobicContact CD1-CH2 4.04Å; H485-W497 HydrophobicContact CB-CZ2 3.94Å; H485-W497 AromaticContact CE1-NE1 3.68Å; H485-W497 AromaticContact ND1-CE2 3.73Å; H485-W497 AromaticContact ND1-CZ2 3.98Å; H485-W497 AromaticContact ND1-NE1 3.13Å; H485-W497 PolarHBondContact ND1-NE1 3.18Å; H485-W497 VanDerWaalsContact ND1-NE1 3.13Å; M488-W497 HydrophobicContact CE-CD2 4.38Å; M488-W497 HydrophobicContact CE-CE3 3.99Å; M488-W497 HydrophobicContact CE-CZ3 4.23Å; M488-W497 HydrophobicContact SD-CD2 4.09Å; M488-W497 HydrophobicContact SD-CE3 4.29Å; M488-W497 HydrophobicContact SD-CG 4.37Å; M488-W497 PolarHBondContact SD-N 2.92Å; M488-W497 VanDerWaalsContact SD-N 3.36Å; N495-W497 PolarHBondContact O-N 3.05Å; W497-N499 VanDerWaalsContact C-N 3.33Å; W497-L500 HydrophobicContact CE3-CD2 4.17Å; W497-L500 HydrophobicContact CZ3-CD2 4.09Å; W497-F520 HydrophobicContact CH2-CE2 4.24Å; W497-F520 AromaticContact CZ3-CE2 3.83Å; W497-F520 HydrophobicContact CZ3-CE2 3.83Å; W497-F520 HydrophobicContact CZ3-CZ 4.45Å; W497-V524 HydrophobicContact CD2-CG1 3.79Å; W497-V524 HydrophobicContact CD2-CG2 4.25Å; W497-V524 HydrophobicContact CE3-CG1 3.59Å; W497-V524 HydrophobicContact CE3-CG2 4.11Å; W497-V524 HydrophobicContact CG-CG1 4.22Å; W497-V524 HydrophobicContact CH2-CB 4.41Å; W497-V524 HydrophobicContact CH2-CG1 4.3Å; W497-V524 HydrophobicContact CH2-CG2 3.24Å; W497-V524 HydrophobicContact CZ2-CG2 3.5Å; W497-V524 VanDerWaalsContact CZ2-CG2 3.5Å; W497-V524 HydrophobicContact CZ3-CB 4.4Å; W497-V524 HydrophobicContact CZ3-CG1 3.87Å; W497-V524 HydrophobicContact CZ3-CG2 3.63Å; W497-T528 HydrophobicContact CB-CG2 4.03Å; W497-T528 HydrophobicContact CG-CG2 4.43Å; W497-W562 AromaticContact CH2-CH2 2.96Å; W497-W562 HydrophobicContact CH2-CH2 2.96Å; W497-W562 AromaticContact CH2-CZ2 3.68Å; W497-W562 HydrophobicContact CH2-CZ2 3.68Å; W497-W562 AromaticContact CH2-CZ3 3.55Å; W497-W562 HydrophobicContact CH2-CZ3 3.55Å; W497-W562 AromaticContact CZ2-CH2 3.77Å; W497-W562 HydrophobicContact CZ2-CH2 3.77Å; W497-W562 HydrophobicContact CZ2-CZ3 4.16Å; W497-W562 AromaticContact CZ3-CH2 3.46Å; W497-W562 HydrophobicContact CZ3-CH2 3.46Å; W497-W562 VanDerWaalsContact CZ3-CH2 3.46Å; W497-W562 AromaticContact CZ3-CZ2 3.97Å; W497-W562 HydrophobicContact CZ3-CZ2 3.97Å; W497-W562 AromaticContact CZ3-CZ3 3.73Å; W497-W562 HydrophobicContact CZ3-CZ3 3.73Å |
| 498 | M | 83.5 | Confident | 91 | Very high | 51 Ų | 51 | 23.9 Ų | 23.9 | 25% | 0.251 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -28.3 | 177 | -61.5 | 179.8 | -152.3 | 0 | 0 | 113.1 | F226 A229 M230 K233 N495 I496 | F226-M498 HydrophobicContact CD2-CE 4.27Å; F226-M498 HydrophobicContact CE2-CE 4Å; F226-M498 HydrophobicContact CE2-CG 3.85Å; A229-M498 HydrophobicContact CB-CE 3.82Å; M230-M498 HydrophobicContact CB-CE 4.15Å; M230-M498 HydrophobicContact CG-CE 3.38Å; M230-M498 HydrophobicContact SD-CE 3.25Å; M230-M498 WeakPolarHBondContact SD-CE 3.45Å; M230-M498 HydrophobicContact SD-SD 3.82Å; K233-M498 HydrophobicContact CD-SD 3.92Å; N495-M498 PolarHBondContact O-N 2.6Å; I496-M498 PolarHBondContact O-N 2.72Å |
| 499 | N | 83.8 | Confident | 91.1 | Very high | 16 Ų | 16 | 27 Ų | 27 | 9% | 0.086 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 19.8 | -173.2 | -82.6 | 5.3 | 0 | 0 | 0 | 112.5 | N495 W497 F501 T564 G565 S567 | N495-N499 HydrophobicContact CB-CB 4.09Å; N495-N499 WeakPolarHBondContact CB-ND2 3.06Å; N495-N499 PolarHBondContact O-N 2.83Å; W497-N499 VanDerWaalsContact C-N 3.33Å; N499-F501 PolarHBondContact O-N 2.95Å; N499-T564 CarbonylContact O-C 3.49Å; N499-T564 WeakPolarHBondContact O-CA 3.34Å; N499-T564 WeakPolarHBondContact O-CB 3.39Å; N499-G565 WeakPolarHBondContact CB-O 3.4Å; N499-G565 VanDerWaalsContact CG-O 3.22Å; N499-G565 PolarHBondContact ND2-O 3.17Å; N499-G565 PolarHBondContact O-N 3.32Å; N499-S567 PolarHBondContact OD1-OG 3.44Å |
| 500 | L | 90.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 27.7 Ų | 27.7 | 12% | 0.12 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 107.6 | 173.2 | -179.6 | 61.5 | 0 | 0 | 0 | 109.1 | M488 W497 F520 I544 W562 | M488-L500 HydrophobicContact CE-CD1 4.35Å; W497-L500 HydrophobicContact CE3-CD2 4.17Å; W497-L500 HydrophobicContact CZ3-CD2 4.09Å; L500-F520 HydrophobicContact CD2-CE2 4.26Å; L500-F520 HydrophobicContact CD2-CZ 4.02Å; L500-I544 HydrophobicContact CD2-CD1 3.96Å; L500-W562 HydrophobicContact CD1-CB 4.4Å; L500-W562 HydrophobicContact CD1-CD2 4.34Å; L500-W562 HydrophobicContact CD1-CG 4.27Å |
| 501 | F | 91.1 | Very high | 91.3 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -47.7 | -173.4 | 177.2 | -101.2 | 0 | 0 | 0 | 111.2 | L260 F443 N499 I563 L569 L571 V637 | L260-F501 HydrophobicContact CD1-CE1 3.71Å; L260-F501 HydrophobicContact CD1-CZ 4.22Å; L260-F501 HydrophobicContact CD2-CE1 4.47Å; L260-F501 HydrophobicContact CG-CE1 4.08Å; L260-F501 HydrophobicContact CG-CZ 4.47Å; F443-F501 HydrophobicContact CE1-CD1 4Å; F443-F501 HydrophobicContact CE1-CD2 4.38Å; F443-F501 HydrophobicContact CE1-CE1 4.09Å; F443-F501 HydrophobicContact CE1-CE2 4.47Å; F443-F501 HydrophobicContact CE1-CG 4.14Å; F443-F501 HydrophobicContact CE1-CZ 4.31Å; N499-F501 PolarHBondContact O-N 2.95Å; F501-I563 WeakPolarHBondContact CA-O 3.07Å; F501-I563 HydrophobicContact CB-CG2 4.48Å; F501-I563 WeakPolarHBondContact CB-O 3.33Å; F501-I563 HydrophobicContact CD1-CB 4.32Å; F501-I563 HydrophobicContact CD1-CG2 3.97Å; F501-I563 PolarHBondContact N-O 2.8Å; F501-L569 HydrophobicContact CD2-CB 4.49Å; F501-L569 HydrophobicContact CE2-CB 3.87Å; F501-L571 HydrophobicContact CD1-CD1 4.16Å; F501-L571 HydrophobicContact CE1-CD1 3.72Å; F501-L571 HydrophobicContact CE2-CB 4.14Å; F501-L571 HydrophobicContact CZ-CB 4.29Å; F501-L571 HydrophobicContact CZ-CD1 3.93Å; F501-V637 HydrophobicContact CZ-CG1 4.33Å; F501-V637 HydrophobicContact CZ-CG2 3.86Å |
| 502 | L | 93.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 132.7 | 174.3 | 178.2 | 60.8 | 0 | 0 | 0 | 109.4 | I504 V545 W562 I563 L571 F591 M592 V635 | L502-I504 HydrophobicContact CD1-CG1 4.29Å; L502-I504 HydrophobicContact CD2-CD1 4.14Å; L502-I504 HydrophobicContact CD2-CG1 4.32Å; L502-I504 HydrophobicContact CG-CG1 4.16Å; L502-V545 HydrophobicContact CD1-CG2 4.05Å; L502-W562 CarbonylContact O-C 3.55Å; L502-W562 WeakPolarHBondContact O-CA 3.33Å; L502-I563 HydrophobicContact CB-CB 4.33Å; L502-I563 HydrophobicContact CD2-CD1 4.27Å; L502-I563 PolarHBondContact N-O 3.45Å; L502-I563 PolarHBondContact O-N 2.9Å; L502-L571 HydrophobicContact CB-CD1 3.96Å; L502-L571 HydrophobicContact CD1-CD1 4.16Å; L502-L571 HydrophobicContact CD1-CD2 4.2Å; L502-L571 HydrophobicContact CD2-CD1 4.45Å; L502-L571 HydrophobicContact CG-CD1 4.41Å; L502-F591 HydrophobicContact CD2-CE2 4.39Å; L502-F591 HydrophobicContact CD2-CZ 4.36Å; L502-M592 HydrophobicContact CD2-SD 3.94Å; L502-V635 HydrophobicContact CD1-CG1 4.27Å; L502-V635 HydrophobicContact CD2-CG1 4.43Å |
| 503 | G | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | C543 I544 V545 Q561 | G503-C543 PolarHBondContact N-O 3.45Å; G503-I544 CarbonylContact O-C 3.55Å; G503-I544 VanDerWaalsContact O-CA 3.25Å; G503-I544 WeakPolarHBondContact O-CA 3.31Å; G503-V545 PolarHBondContact O-N 3.15Å; G503-Q561 CarbonylContact C-O 3.46Å; G503-Q561 WeakPolarHBondContact CA-O 3.13Å |
| 504 | I | 97.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.9 | 170.4 | -53.7 | 168.4 | 0 | 0 | 0 | 107 | L502 Y506 V545 L547 Q561 M592 F594 | L502-I504 HydrophobicContact CD1-CG1 4.29Å; L502-I504 HydrophobicContact CD2-CD1 4.14Å; L502-I504 HydrophobicContact CD2-CG1 4.32Å; L502-I504 HydrophobicContact CG-CG1 4.16Å; I504-Y506 HydrophobicContact CB-CE2 4.07Å; I504-Y506 HydrophobicContact CG2-CD1 4.09Å; I504-Y506 HydrophobicContact CG2-CD2 4.27Å; I504-Y506 HydrophobicContact CG2-CE1 3.54Å; I504-Y506 HydrophobicContact CG2-CE2 3.73Å; I504-Y506 HydrophobicContact CG2-CG 4.44Å; I504-V545 WeakPolarHBondContact CA-O 3.43Å; I504-V545 HydrophobicContact CG1-CB 4.26Å; I504-V545 HydrophobicContact CG2-CB 4.39Å; I504-L547 HydrophobicContact CG2-CD1 3.6Å; I504-L547 HydrophobicContact CG2-CG 4.19Å; I504-Q561 HydrophobicContact CB-CB 4.35Å; I504-Q561 PolarHBondContact N-O 3.01Å; I504-Q561 PolarHBondContact O-N 2.67Å; I504-M592 HydrophobicContact CD1-SD 4.16Å; I504-F594 HydrophobicContact CD1-CZ 3.73Å |
| 505 | C | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.7 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | V545 W546 L547 W560 | C505-V545 PolarHBondContact N-O 2.98Å; C505-W546 HydrophobicContact CB-CD2 4.39Å; C505-W546 HydrophobicContact CB-CE3 3.54Å; C505-W546 HydrophobicContact CB-CZ3 3.68Å; C505-L547 PolarHBondContact O-N 3.44Å; C505-W560 HydrophobicContact CB-CD2 4.24Å; C505-W560 HydrophobicContact CB-CE3 3.78Å; C505-W560 HydrophobicContact CB-CH2 3.82Å; C505-W560 HydrophobicContact CB-CZ2 4.19Å; C505-W560 HydrophobicContact CB-CZ3 3.58Å |
| 506 | Y | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.6 | 172.5 | -53.1 | -79.3 | 0 | 0 | 0 | 108.1 | V359 I361 I504 L547 V549 V558 E559 Q561 L620 | V359-Y506 HydrophobicContact CG1-CD2 4.41Å; V359-Y506 HydrophobicContact CG1-CE2 3.7Å; I361-Y506 HydrophobicContact CD1-CD1 3.79Å; I361-Y506 HydrophobicContact CD1-CE1 3.55Å; I361-Y506 HydrophobicContact CG2-CD1 4.1Å; I361-Y506 HydrophobicContact CG2-CD2 3.98Å; I361-Y506 HydrophobicContact CG2-CE1 4.42Å; I361-Y506 HydrophobicContact CG2-CE2 4.33Å; I361-Y506 HydrophobicContact CG2-CG 3.84Å; I504-Y506 HydrophobicContact CB-CE2 4.07Å; I504-Y506 HydrophobicContact CG2-CD1 4.09Å; I504-Y506 HydrophobicContact CG2-CD2 4.27Å; I504-Y506 HydrophobicContact CG2-CE1 3.54Å; I504-Y506 HydrophobicContact CG2-CE2 3.73Å; I504-Y506 HydrophobicContact CG2-CG 4.44Å; Y506-L547 HydrophobicContact CD1-CB 4.25Å; Y506-L547 HydrophobicContact CD1-CD1 4.03Å; Y506-L547 HydrophobicContact CE1-CD1 3.69Å; Y506-V549 HydrophobicContact CD1-CG1 3.72Å; Y506-V549 HydrophobicContact CG-CG1 4.41Å; Y506-V558 CarbonylContact O-C 3.6Å; Y506-V558 WeakPolarHBondContact O-CA 3.35Å; Y506-E559 PolarHBondContact N-O 3.02Å; Y506-E559 PolarHBondContact O-N 2.96Å; Y506-Q561 HydrophobicContact CE2-CB 3.83Å; Y506-Q561 PolarHBondContact OH-OE1 3.24Å; Y506-L620 HydrophobicContact CE1-CD2 4.46Å |
| 507 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D509 L513 L547 V548 V549 T557 | A507-D509 VanDerWaalsContact C-N 3.32Å; A507-D509 PolarHBondContact O-N 3.19Å; A507-L513 HydrophobicContact CB-CB 3.67Å; A507-L513 HydrophobicContact CB-CG 4.34Å; A507-L547 PolarHBondContact N-O 2.95Å; A507-V548 CarbonylContact O-C 3.53Å; A507-V548 VanDerWaalsContact O-CA 3.22Å; A507-V548 WeakPolarHBondContact O-CA 3.41Å; A507-V549 PolarHBondContact O-N 3.47Å; A507-T557 VanDerWaalsContact CA-O 3.31Å; A507-T557 WeakPolarHBondContact CA-O 3.45Å |
| 508 | I | 95.3 | Very high | 95 | Very high | 53 Ų | 53 | 30.2 Ų | 30.2 | 27% | 0.272 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -76.9 | -20.3 | -176.9 | 65.3 | 169.3 | 0 | 0 | 0 | 113.7 | V549 L552 A556 T557 | I508-V549 WeakPolarHBondContact CA-O 3.13Å; I508-L552 HydrophobicContact CG2-CD1 4.06Å; I508-L552 HydrophobicContact CG2-CG 4.07Å; I508-A556 WeakPolarHBondContact CG2-O 3.47Å; I508-T557 HydrophobicContact CD1-CG2 3.86Å; I508-T557 HydrophobicContact CG1-CG2 4.45Å; I508-T557 PolarHBondContact N-O 3.44Å |
| 509 | D | 94.5 | Very high | 95.7 | Very high | 65 Ų | 65 | 27.9 Ų | 27.9 | 35% | 0.348 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -155.5 | 174.3 | 179 | 59.7 | 49.6 | 0 | 0 | 0 | 111.5 | A507 V511 S512 L513 | A507-D509 VanDerWaalsContact C-N 3.32Å; A507-D509 PolarHBondContact O-N 3.19Å; D509-V511 VanDerWaalsContact C-N 3.33Å; D509-V511 PolarHBondContact O-N 2.98Å; D509-V511 WeakPolarHBondContact OD1-CB 3.23Å; D509-V511 PolarHBondContact OD1-N 3.24Å; D509-V511 VanDerWaalsContact OD1-N 3.07Å; D509-S512 VanDerWaalsContact OD1-CB 3.3Å; D509-S512 WeakPolarHBondContact OD1-CB 3.23Å; D509-S512 PolarHBondContact OD1-N 3.43Å; D509-S512 PolarHBondContact OD1-OG 3.44Å; D509-L513 WeakPolarHBondContact O-CB 3.22Å; D509-L513 PolarHBondContact O-N 3.15Å |
| 510 | E | 94.3 | Very high | 96.3 | Very high | 86 Ų | 86 | 27.1 Ų | 27.1 | 40% | 0.402 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -69.4 | -28.3 | -178 | -178 | 166.9 | -167.6 | 0 | 0 | 113.3 | N514 K624 | E510-N514 WeakPolarHBondContact CG-ND2 3.08Å; E510-N514 WeakPolarHBondContact O-CB 3.05Å; E510-N514 VanDerWaalsContact O-CG 3.25Å; E510-N514 PolarHBondContact O-N 2.96Å; E510-N514 PolarHBondContact O-ND2 3.48Å; E510-K624 VanDerWaalsContact CD-NZ 3.28Å; E510-K624 IonicContact OE1-NZ 2.64Å; E510-K624 PolarHBondContact OE1-NZ 3.18Å; E510-K624 IonicContact OE2-NZ 2.85Å; E510-K624 PolarHBondContact OE2-NZ 3.06Å |
| 511 | V | 96.2 | Very high | 96.6 | Very high | 85 Ų | 85 | 29.3 Ų | 29.3 | 52% | 0.515 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -68.7 | -48.8 | 178.1 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | F470 L473 D509 N514 Q515 | F470-V511 HydrophobicContact CD2-CG1 4.47Å; F470-V511 HydrophobicContact CE2-CG1 4.2Å; L473-V511 HydrophobicContact CD2-CG1 4.04Å; D509-V511 VanDerWaalsContact C-N 3.33Å; D509-V511 PolarHBondContact O-N 2.98Å; D509-V511 WeakPolarHBondContact OD1-CB 3.23Å; D509-V511 PolarHBondContact OD1-N 3.24Å; D509-V511 VanDerWaalsContact OD1-N 3.07Å; V511-N514 PolarHBondContact O-N 3Å; V511-Q515 PolarHBondContact O-N 3.31Å |
| 512 | S | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 177 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | D509 N514 Q515 A516 | D509-S512 VanDerWaalsContact OD1-CB 3.3Å; D509-S512 WeakPolarHBondContact OD1-CB 3.23Å; D509-S512 PolarHBondContact OD1-N 3.43Å; D509-S512 PolarHBondContact OD1-OG 3.44Å; S512-N514 PolarHBondContact O-N 3.05Å; S512-Q515 PolarHBondContact O-N 3.36Å; S512-A516 WeakPolarHBondContact O-CB 3.27Å; S512-A516 PolarHBondContact O-N 2.92Å |
| 513 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 176.1 | -170.6 | 149.5 | 0 | 0 | 0 | 111.6 | A507 D509 Q515 A516 R517 W546 V548 A626 | A507-L513 HydrophobicContact CB-CB 3.67Å; A507-L513 HydrophobicContact CB-CG 4.34Å; D509-L513 WeakPolarHBondContact O-CB 3.22Å; D509-L513 PolarHBondContact O-N 3.15Å; L513-Q515 VanDerWaalsContact C-N 3.32Å; L513-Q515 PolarHBondContact O-N 3.45Å; L513-A516 PolarHBondContact O-N 3.16Å; L513-R517 WeakPolarHBondContact O-CB 3.45Å; L513-R517 PolarHBondContact O-N 2.83Å; L513-W546 HydrophobicContact CD1-CB 4.1Å; L513-W546 HydrophobicContact CD2-CB 4.16Å; L513-W546 HydrophobicContact CD2-CE3 4.37Å; L513-W546 HydrophobicContact CG-CB 4.37Å; L513-W546 HydrophobicContact CG-CE3 4.41Å; L513-V548 HydrophobicContact CD1-CG2 3.67Å; L513-A626 HydrophobicContact CD1-CB 4.38Å; L513-A626 HydrophobicContact CD2-CB 3.59Å |
| 514 | N | 96.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 33 Ų | 33 | 33% | 0.326 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.3 | -38 | 179.8 | -76.9 | -40.1 | 0 | 0 | 0 | 111.4 | E510 V511 S512 R517 N518 | E510-N514 WeakPolarHBondContact CG-ND2 3.08Å; E510-N514 WeakPolarHBondContact O-CB 3.05Å; E510-N514 VanDerWaalsContact O-CG 3.25Å; E510-N514 PolarHBondContact O-N 2.96Å; E510-N514 PolarHBondContact O-ND2 3.48Å; V511-N514 PolarHBondContact O-N 3Å; S512-N514 PolarHBondContact O-N 3.05Å; N514-R517 PolarHBondContact O-N 3.34Å; N514-N518 WeakPolarHBondContact O-CB 3.24Å; N514-N518 PolarHBondContact O-N 3.49Å; N514-N518 PolarHBondContact O-ND2 3.21Å |
| 515 | Q | 97.8 | Very high | 96.7 | Very high | 19 Ų | 19 | 33 Ų | 33 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 174.6 | -176.2 | 59.9 | 15 | 0 | 0 | 111.6 | L473 S477 V511 S512 L513 R517 N518 C519 | L473-Q515 HydrophobicContact CD2-CB 4.43Å; L473-Q515 HydrophobicContact CG-CB 4.45Å; L473-Q515 HydrophobicContact CG-CG 4.32Å; S477-Q515 WeakPolarHBondContact OG-CG 3.23Å; V511-Q515 PolarHBondContact O-N 3.31Å; S512-Q515 PolarHBondContact O-N 3.36Å; L513-Q515 VanDerWaalsContact C-N 3.32Å; L513-Q515 PolarHBondContact O-N 3.45Å; Q515-R517 VanDerWaalsContact C-N 3.25Å; Q515-R517 PolarHBondContact O-N 3.23Å; Q515-N518 PolarHBondContact O-N 3.41Å; Q515-N518 VanDerWaalsContact O-N 3.13Å; Q515-C519 PolarHBondContact O-N 3.2Å; Q515-C519 PolarHBondContact O-SG 3.47Å; Q515-C519 VanDerWaalsContact O-SG 3.32Å |
| 516 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.7 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | S512 L513 C519 F520 W546 V558 W560 | S512-A516 WeakPolarHBondContact O-CB 3.27Å; S512-A516 PolarHBondContact O-N 2.92Å; L513-A516 PolarHBondContact O-N 3.16Å; A516-C519 PolarHBondContact O-N 2.85Å; A516-F520 WeakPolarHBondContact O-CB 3.31Å; A516-F520 PolarHBondContact O-N 2.86Å; A516-W546 HydrophobicContact CB-CZ3 4.37Å; A516-V558 HydrophobicContact CB-CG1 3.73Å; A516-V558 HydrophobicContact CB-CG2 4.05Å; A516-W560 HydrophobicContact CB-CZ2 4.41Å |
| 517 | R | 97.6 | Very high | 95.9 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 29% | 0.291 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 175.9 | -171.9 | 175.2 | -173.6 | -167.2 | 4.7 | 112.8 | L513 N514 Q515 F520 H521 N541 W546 | L513-R517 WeakPolarHBondContact O-CB 3.45Å; L513-R517 PolarHBondContact O-N 2.83Å; N514-R517 PolarHBondContact O-N 3.34Å; Q515-R517 VanDerWaalsContact C-N 3.25Å; Q515-R517 PolarHBondContact O-N 3.23Å; R517-F520 PolarHBondContact O-N 3.34Å; R517-H521 WeakPolarHBondContact O-CB 3.26Å; R517-H521 PolarHBondContact O-N 2.67Å; R517-N541 PolarHBondContact NH2-OD1 3.05Å; R517-W546 VanDerWaalsContact CA-CZ3 3.46Å; R517-W546 HydrophobicContact CB-CD2 4.46Å; R517-W546 HydrophobicContact CB-CE3 4.03Å; R517-W546 HydrophobicContact CB-CH2 3.67Å; R517-W546 HydrophobicContact CB-CZ2 4.1Å; R517-W546 HydrophobicContact CB-CZ3 3.62Å; R517-W546 HydrophobicContact CG-CD2 4.43Å; R517-W546 HydrophobicContact CG-CE3 4.47Å; R517-W546 HydrophobicContact CG-CH2 3.82Å; R517-W546 HydrophobicContact CG-CZ2 3.72Å; R517-W546 HydrophobicContact CG-CZ3 4.19Å |
| 518 | N | 97.7 | Very high | 95.4 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64 | -45.4 | 175.6 | -69.5 | -23.5 | 0 | 0 | 0 | 111.1 | N514 Q515 H521 Q522 | N514-N518 WeakPolarHBondContact O-CB 3.24Å; N514-N518 PolarHBondContact O-N 3.49Å; N514-N518 PolarHBondContact O-ND2 3.21Å; Q515-N518 PolarHBondContact O-N 3.41Å; Q515-N518 VanDerWaalsContact O-N 3.13Å; N518-H521 PolarHBondContact O-N 3.29Å; N518-Q522 WeakPolarHBondContact O-CB 3.42Å; N518-Q522 VanDerWaalsContact O-CG 3.29Å; N518-Q522 WeakPolarHBondContact O-CG 3.42Å; N518-Q522 PolarHBondContact O-N 3.2Å |
| 519 | C | 98.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.8 | -51.5 | 174.8 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | W478 L481 Q515 A516 H521 Q522 A523 | W478-C519 HydrophobicContact CD2-CB 4.24Å; W478-C519 VanDerWaalsContact CE2-SG 3.54Å; W478-C519 HydrophobicContact CE3-CB 4.28Å; W478-C519 HydrophobicContact CH2-CB 4.42Å; W478-C519 HydrophobicContact CZ2-CB 4.36Å; W478-C519 HydrophobicContact CZ3-CB 4.39Å; L481-C519 HydrophobicContact CD2-CB 4.12Å; Q515-C519 PolarHBondContact O-N 3.2Å; Q515-C519 PolarHBondContact O-SG 3.47Å; Q515-C519 VanDerWaalsContact O-SG 3.32Å; A516-C519 PolarHBondContact O-N 2.85Å; C519-H521 PolarHBondContact O-N 2.96Å; C519-Q522 PolarHBondContact O-N 3.46Å; C519-A523 VanDerWaalsContact O-CB 3.3Å; C519-A523 WeakPolarHBondContact O-CB 3.29Å; C519-A523 PolarHBondContact O-N 3.09Å |
| 520 | F | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 179 | -176.9 | -88.1 | 0 | 0 | 0 | 112.2 | L481 W497 L500 A516 R517 Q522 V524 C525 H539 I544 W546 W560 | L481-F520 HydrophobicContact CD1-CD2 3.93Å; L481-F520 HydrophobicContact CD2-CB 4.48Å; W497-F520 HydrophobicContact CH2-CE2 4.24Å; W497-F520 AromaticContact CZ3-CE2 3.83Å; W497-F520 HydrophobicContact CZ3-CE2 3.83Å; W497-F520 HydrophobicContact CZ3-CZ 4.45Å; L500-F520 HydrophobicContact CD2-CE2 4.26Å; L500-F520 HydrophobicContact CD2-CZ 4.02Å; A516-F520 WeakPolarHBondContact O-CB 3.31Å; A516-F520 PolarHBondContact O-N 2.86Å; R517-F520 PolarHBondContact O-N 3.34Å; F520-Q522 PolarHBondContact O-N 3.5Å; F520-V524 HydrophobicContact CD2-CG2 3.94Å; F520-V524 HydrophobicContact CE1-CB 4.32Å; F520-V524 HydrophobicContact CE2-CB 4.28Å; F520-V524 HydrophobicContact CE2-CG1 4.44Å; F520-V524 HydrophobicContact CE2-CG2 3.91Å; F520-V524 HydrophobicContact CG-CG2 4.38Å; F520-V524 HydrophobicContact CZ-CB 4.17Å; F520-V524 HydrophobicContact CZ-CG1 4.12Å; F520-V524 HydrophobicContact CZ-CG2 4.32Å; F520-V524 VanDerWaalsContact O-CB 3.31Å; F520-V524 WeakPolarHBondContact O-CB 3.33Å; F520-V524 PolarHBondContact O-N 3.41Å; F520-C525 PolarHBondContact O-N 2.82Å; F520-H539 HydrophobicContact CE1-CB 3.99Å; F520-H539 HydrophobicContact CZ-CB 4.33Å; F520-I544 HydrophobicContact CE1-CD1 4.35Å; F520-I544 HydrophobicContact CE1-CG1 3.9Å; F520-I544 HydrophobicContact CE2-CD1 3.92Å; F520-I544 HydrophobicContact CE2-CG1 4.31Å; F520-I544 HydrophobicContact CZ-CD1 3.72Å; F520-I544 HydrophobicContact CZ-CG1 3.79Å; F520-W546 HydrophobicContact CB-CH2 4.01Å; F520-W546 HydrophobicContact CD1-CZ2 4.49Å; F520-W546 HydrophobicContact CG-CH2 4.34Å; F520-W560 HydrophobicContact CB-CH2 4.01Å; F520-W560 HydrophobicContact CB-CZ2 4.07Å; F520-W560 AromaticContact CD2-CH2 3.71Å; F520-W560 HydrophobicContact CD2-CH2 3.71Å; F520-W560 HydrophobicContact CD2-CZ2 4.2Å; F520-W560 HydrophobicContact CD2-CZ3 4.34Å; F520-W560 HydrophobicContact CE2-CH2 4.48Å; F520-W560 HydrophobicContact CG-CH2 4.02Å; F520-W560 HydrophobicContact CG-CZ2 4.47Å |
| 521 | H | 96.1 | Very high | 92.5 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 32% | 0.319 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -60.4 | -46.1 | 178.2 | -175.9 | 73.4 | 0 | 0 | 0 | 111.8 | R517 N518 C519 C525 L526 C538 | R517-H521 WeakPolarHBondContact O-CB 3.26Å; R517-H521 PolarHBondContact O-N 2.67Å; N518-H521 PolarHBondContact O-N 3.29Å; C519-H521 PolarHBondContact O-N 2.96Å; H521-C525 WeakPolarHBondContact O-CB 3.46Å; H521-C525 PolarHBondContact O-N 3.01Å; H521-L526 PolarHBondContact O-N 2.93Å; H521-C538 PolarHBondContact ND1-SG 2.8Å |
| 522 | Q | 96.5 | Very high | 91.1 | Very high | 90 Ų | 90 | 46 Ų | 46 | 42% | 0.421 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -68.7 | -43.2 | -179.1 | -71.1 | 176.9 | 10.1 | 0 | 0 | 112.8 | W478 N518 C519 F520 L526 Q527 | W478-Q522 HydrophobicContact CH2-CB 4.02Å; N518-Q522 WeakPolarHBondContact O-CB 3.42Å; N518-Q522 VanDerWaalsContact O-CG 3.29Å; N518-Q522 WeakPolarHBondContact O-CG 3.42Å; N518-Q522 PolarHBondContact O-N 3.2Å; C519-Q522 PolarHBondContact O-N 3.46Å; F520-Q522 PolarHBondContact O-N 3.5Å; Q522-L526 HydrophobicContact CG-CD1 4.5Å; Q522-Q527 PolarHBondContact O-NE2 2.94Å |
| 523 | A | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -81.6 | -30.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T218 I222 W478 L481 C519 Q527 | T218-A523 HydrophobicContact CG2-CB 4.48Å; I222-A523 HydrophobicContact CD1-CB 3.6Å; I222-A523 WeakPolarHBondContact CG2-O 3.33Å; W478-A523 HydrophobicContact CH2-CB 4.39Å; W478-A523 HydrophobicContact CZ3-CB 3.72Å; L481-A523 HydrophobicContact CD2-CB 3.7Å; C519-A523 VanDerWaalsContact O-CB 3.3Å; C519-A523 WeakPolarHBondContact O-CB 3.29Å; C519-A523 PolarHBondContact O-N 3.09Å; A523-Q527 WeakPolarHBondContact O-CG 3.14Å |
| 524 | V | 94.8 | Very high | 88 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -114 | -67.1 | -173.8 | -171 | 0 | 0 | 0 | 0 | 110 | I222 W497 F520 L526 Q527 T528 | I222-V524 HydrophobicContact CD1-CG2 4.44Å; W497-V524 HydrophobicContact CD2-CG1 3.79Å; W497-V524 HydrophobicContact CD2-CG2 4.25Å; W497-V524 HydrophobicContact CE3-CG1 3.59Å; W497-V524 HydrophobicContact CE3-CG2 4.11Å; W497-V524 HydrophobicContact CG-CG1 4.22Å; W497-V524 HydrophobicContact CH2-CB 4.41Å; W497-V524 HydrophobicContact CH2-CG1 4.3Å; W497-V524 HydrophobicContact CH2-CG2 3.24Å; W497-V524 HydrophobicContact CZ2-CG2 3.5Å; W497-V524 VanDerWaalsContact CZ2-CG2 3.5Å; W497-V524 HydrophobicContact CZ3-CB 4.4Å; W497-V524 HydrophobicContact CZ3-CG1 3.87Å; W497-V524 HydrophobicContact CZ3-CG2 3.63Å; F520-V524 HydrophobicContact CD2-CG2 3.94Å; F520-V524 HydrophobicContact CE1-CB 4.32Å; F520-V524 HydrophobicContact CE2-CB 4.28Å; F520-V524 HydrophobicContact CE2-CG1 4.44Å; F520-V524 HydrophobicContact CE2-CG2 3.91Å; F520-V524 HydrophobicContact CG-CG2 4.38Å; F520-V524 HydrophobicContact CZ-CB 4.17Å; F520-V524 HydrophobicContact CZ-CG1 4.12Å; F520-V524 HydrophobicContact CZ-CG2 4.32Å; F520-V524 VanDerWaalsContact O-CB 3.31Å; F520-V524 WeakPolarHBondContact O-CB 3.33Å; F520-V524 PolarHBondContact O-N 3.41Å; V524-L526 PolarHBondContact O-N 2.67Å; V524-Q527 CarbonylContact O-C 3.52Å; V524-Q527 WeakPolarHBondContact O-CA 3.35Å; V524-Q527 PolarHBondContact O-N 3.11Å; V524-T528 HydrophobicContact CG1-CG2 4.2Å; V524-T528 WeakPolarHBondContact O-CG2 3.38Å; V524-T528 PolarHBondContact O-N 2.96Å; V524-T528 PolarHBondContact O-OG1 2.96Å |
| 525 | C | 93.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -56.7 | -47.9 | -171 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | F520 H521 Q527 L529 C538 | F520-C525 PolarHBondContact O-N 2.82Å; H521-C525 WeakPolarHBondContact O-CB 3.46Å; H521-C525 PolarHBondContact O-N 3.01Å; C525-Q527 PolarHBondContact O-N 2.9Å; C525-L529 HydrophobicContact CB-CD1 3.78Å; C525-L529 VanDerWaalsContact O-CB 3.23Å; C525-L529 WeakPolarHBondContact O-CB 3.39Å; C525-L529 WeakPolarHBondContact O-CD1 3.3Å; C525-L529 VanDerWaalsContact O-CG 3.27Å; C525-L529 WeakPolarHBondContact O-CG 3.33Å; C525-L529 PolarHBondContact O-N 2.95Å; C525-C538 PolarHBondContact SG-SG 3.33Å |
| 526 | L | 91.8 | Very high | 85.2 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 55% | 0.55 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.8 | -19 | 178.1 | -67 | -174.5 | 0 | 0 | 0 | 113.7 | H521 Q522 V524 | H521-L526 PolarHBondContact O-N 2.93Å; Q522-L526 HydrophobicContact CG-CD1 4.5Å; V524-L526 PolarHBondContact O-N 2.67Å |
| 527 | Q | 87.3 | Confident | 84.3 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 23% | 0.234 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -97.4 | -27.1 | -177.6 | -47.7 | -50.7 | -36.5 | 0 | 0 | 112.7 | K223 Q522 A523 V524 C525 | K223-Q527 HydrophobicContact CB-CB 4.28Å; K223-Q527 HydrophobicContact CB-CG 4.33Å; Q522-Q527 PolarHBondContact O-NE2 2.94Å; A523-Q527 WeakPolarHBondContact O-CG 3.14Å; V524-Q527 CarbonylContact O-C 3.52Å; V524-Q527 WeakPolarHBondContact O-CA 3.35Å; V524-Q527 PolarHBondContact O-N 3.11Å; C525-Q527 PolarHBondContact O-N 2.9Å |
| 528 | T | 86.7 | Confident | 83.9 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -111.1 | -22.3 | -171.5 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | F226 W497 V524 H539 | F226-T528 HydrophobicContact CB-CG2 4.42Å; F226-T528 HydrophobicContact CD1-CG2 4.06Å; F226-T528 HydrophobicContact CD2-CG2 3.64Å; F226-T528 HydrophobicContact CE1-CG2 4.2Å; F226-T528 HydrophobicContact CE2-CG2 3.79Å; F226-T528 HydrophobicContact CG-CG2 3.77Å; F226-T528 HydrophobicContact CZ-CG2 4.07Å; W497-T528 HydrophobicContact CB-CG2 4.03Å; W497-T528 HydrophobicContact CG-CG2 4.43Å; V524-T528 HydrophobicContact CG1-CG2 4.2Å; V524-T528 WeakPolarHBondContact O-CG2 3.38Å; V524-T528 PolarHBondContact O-N 2.96Å; V524-T528 PolarHBondContact O-OG1 2.96Å; T528-H539 PolarHBondContact OG1-CD2 3.13Å; T528-H539 PolarHBondContact OG1-NE2 2.95Å |
| 529 | L | 83.3 | Confident | 83.5 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -77.3 | 135.3 | 178.6 | -68.4 | 167.3 | 0 | 0 | 0 | 111.1 | C525 T531 C538 | C525-L529 HydrophobicContact CB-CD1 3.78Å; C525-L529 VanDerWaalsContact O-CB 3.23Å; C525-L529 WeakPolarHBondContact O-CB 3.39Å; C525-L529 WeakPolarHBondContact O-CD1 3.3Å; C525-L529 VanDerWaalsContact O-CG 3.27Å; C525-L529 WeakPolarHBondContact O-CG 3.33Å; C525-L529 PolarHBondContact O-N 2.95Å; L529-T531 PolarHBondContact O-N 2.99Å; L529-C538 HydrophobicContact CD1-CB 4.44Å |
| 530 | D | 73.5 | Confident | 83.1 | Confident | 95 Ų | 95 | 62 Ų | 62 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | trans | -76.3 | 105.8 | 170.2 | -170.4 | -13.1 | 0 | 0 | 0 | 109.8 | T532 D533 | D530-T532 PolarHBondContact O-N 3.44Å; D530-T532 WeakPolarHBondContact OD1-CB 3.49Å; D530-T532 WeakPolarHBondContact OD1-CG2 3.44Å; D530-T532 PolarHBondContact OD1-N 2.8Å; D530-T532 PolarHBondContact OD1-OG1 3.35Å; D530-T532 PolarHBondContact OD2-OG1 3.46Å; D530-T532 VanDerWaalsContact OD2-OG1 3.11Å; D530-D533 PolarHBondContact O-N 2.85Å | ||
| 531 | T | 66.3 | Low | 82.6 | Confident | 137 Ų | 137 | 66.2 Ų | 66.2 | 84% | 0.84 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -11.3 | 177.7 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | L529 | L529-T531 PolarHBondContact O-N 2.99Š|
| 532 | T | 67.7 | Low | 82 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 72% | 0.718 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -20.7 | 177.9 | 69.3 | 0 | 0 | 0 | 0 | 113.2 | D530 A534 | D530-T532 PolarHBondContact O-N 3.44Å; D530-T532 WeakPolarHBondContact OD1-CB 3.49Å; D530-T532 WeakPolarHBondContact OD1-CG2 3.44Å; D530-T532 PolarHBondContact OD1-N 2.8Å; D530-T532 PolarHBondContact OD1-OG1 3.35Å; D530-T532 PolarHBondContact OD2-OG1 3.46Å; D530-T532 VanDerWaalsContact OD2-OG1 3.11Å; T532-A534 PolarHBondContact O-N 2.91Å |
| 533 | D | 67.6 | Low | 81.7 | Confident | 81 Ų | 81 | 63 Ų | 63 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | trans | -93.2 | 99.6 | 176.6 | -169.5 | -2.5 | 0 | 0 | 0 | 110.8 | D530 I535 S536 | D530-D533 PolarHBondContact O-N 2.85Å; D533-I535 PolarHBondContact O-N 2.88Å; D533-I535 WeakPolarHBondContact OD1-CB 3.33Å; D533-I535 PolarHBondContact OD1-N 3.23Å; D533-I535 VanDerWaalsContact OD1-N 3.07Å; D533-S536 PolarHBondContact O-N 3.39Å; D533-S536 VanDerWaalsContact O-N 3.16Å; D533-S536 PolarHBondContact O-OG 3.43Å | ||
| 534 | A | 61.3 | Low | 81.6 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 89% | 0.893 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -10.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | T532 | T532-A534 PolarHBondContact O-N 2.91Š|
| 535 | I | 67.4 | Low | 81.6 | Confident | 148 Ų | 148 | 63.3 Ų | 63.3 | 76% | 0.759 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -13.1 | -177.6 | -53.2 | 169.7 | 0 | 0 | 0 | 111.4 | D533 E537 | D533-I535 PolarHBondContact O-N 2.88Å; D533-I535 WeakPolarHBondContact OD1-CB 3.33Å; D533-I535 PolarHBondContact OD1-N 3.23Å; D533-I535 VanDerWaalsContact OD1-N 3.07Å; I535-E537 PolarHBondContact O-N 3.44Å |
| 536 | S | 70.4 | Confident | 81.7 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | trans | -67.6 | 108.1 | -175.6 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | D533 | D533-S536 PolarHBondContact O-N 3.39Å; D533-S536 VanDerWaalsContact O-N 3.16Å; D533-S536 PolarHBondContact O-OG 3.43Å | ||
| 537 | E | 78.8 | Confident | 81.9 | Confident | 125 Ų | 125 | 59.1 Ų | 59.1 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | trans | -66.6 | 143.6 | 172 | -69.8 | -174.3 | 168.3 | 0 | 0 | 110.4 | I535 H539 Q542 | I535-E537 PolarHBondContact O-N 3.44Å; E537-H539 PolarHBondContact O-N 3.02Å; E537-Q542 HydrophobicContact CB-CG 3.7Å; E537-Q542 PolarHBondContact O-NE2 2.87Å; E537-Q542 PolarHBondContact O-OE1 3.42Å | ||
| 538 | C | 88.4 | Confident | 82.2 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 17% | 0.169 | 33% | 0.328 | C | S | . | . | trans | -60.9 | 136.6 | 177.8 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | H521 C525 L529 C540 N541 Q542 | H521-C538 PolarHBondContact ND1-SG 2.8Å; C525-C538 PolarHBondContact SG-SG 3.33Å; L529-C538 HydrophobicContact CD1-CB 4.44Å; C538-C540 PolarHBondContact O-N 3.35Å; C538-N541 PolarHBondContact O-N 3.35Å; C538-Q542 PolarHBondContact O-N 3.44Å | ||
| 539 | H | 88.9 | Confident | 82.6 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 18% | 0.181 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.3 | -29.3 | 177.1 | -59.2 | -45.2 | 0 | 0 | 0 | 113 | F520 T528 E537 N541 Q542 C543 | F520-H539 HydrophobicContact CE1-CB 3.99Å; F520-H539 HydrophobicContact CZ-CB 4.33Å; T528-H539 PolarHBondContact OG1-CD2 3.13Å; T528-H539 PolarHBondContact OG1-NE2 2.95Å; E537-H539 PolarHBondContact O-N 3.02Å; H539-N541 PolarHBondContact O-N 3.5Å; H539-Q542 PolarHBondContact ND1-OE1 3.28Å; H539-Q542 VanDerWaalsContact ND1-OE1 3.16Å; H539-Q542 PolarHBondContact O-N 3.47Å; H539-C543 PolarHBondContact O-N 2.81Å |
| 540 | C | 90.8 | Very high | 83 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -52.2 | -29.1 | 172.1 | -61.4 | 0 | 0 | 0 | 0 | 113.9 | C538 W546 | C538-C540 PolarHBondContact O-N 3.35Å; C540-W546 HydrophobicContact CB-CZ2 4.21Å; C540-W546 PolarHBondContact O-NE1 3.03Å |
| 541 | N | 86.5 | Confident | 84 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 48% | 0.481 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -108.7 | -15.3 | -176.1 | -56.8 | -30 | 0 | 0 | 0 | 112.6 | R517 C538 H539 | R517-N541 PolarHBondContact NH2-OD1 3.05Å; C538-N541 PolarHBondContact O-N 3.35Å; H539-N541 PolarHBondContact O-N 3.5Å |
| 542 | Q | 84.5 | Confident | 85.4 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -88.2 | -48.9 | -176.7 | -69.6 | -179.6 | -25.8 | 0 | 0 | 112.7 | E537 C538 H539 | E537-Q542 HydrophobicContact CB-CG 3.7Å; E537-Q542 PolarHBondContact O-NE2 2.87Å; E537-Q542 PolarHBondContact O-OE1 3.42Å; C538-Q542 PolarHBondContact O-N 3.44Å; H539-Q542 PolarHBondContact ND1-OE1 3.28Å; H539-Q542 VanDerWaalsContact ND1-OE1 3.16Å; H539-Q542 PolarHBondContact O-N 3.47Å |
| 543 | C | 88.8 | Confident | 86.6 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 10% | 0.095 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 3.8 | -168.1 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | G503 H539 | G503-C543 PolarHBondContact N-O 3.45Å; H539-C543 PolarHBondContact O-N 2.81Å |
| 544 | I | 94.8 | Very high | 87.7 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.3 | 179.3 | -48.7 | -60.2 | 0 | 0 | 0 | 111.8 | L500 G503 F520 W546 W560 | L500-I544 HydrophobicContact CD2-CD1 3.96Å; G503-I544 CarbonylContact O-C 3.55Å; G503-I544 VanDerWaalsContact O-CA 3.25Å; G503-I544 WeakPolarHBondContact O-CA 3.31Å; F520-I544 HydrophobicContact CE1-CD1 4.35Å; F520-I544 HydrophobicContact CE1-CG1 3.9Å; F520-I544 HydrophobicContact CE2-CD1 3.92Å; F520-I544 HydrophobicContact CE2-CG1 4.31Å; F520-I544 HydrophobicContact CZ-CD1 3.72Å; F520-I544 HydrophobicContact CZ-CG1 3.79Å; I544-W546 HydrophobicContact CB-CZ2 3.92Å; I544-W546 HydrophobicContact CG1-CZ2 4.28Å; I544-W546 HydrophobicContact CG2-CD2 3.83Å; I544-W546 HydrophobicContact CG2-CE3 4.35Å; I544-W546 HydrophobicContact CG2-CG 4.3Å; I544-W546 HydrophobicContact CG2-CH2 4.01Å; I544-W546 HydrophobicContact CG2-CZ2 3.47Å; I544-W546 VanDerWaalsContact CG2-CZ2 3.47Å; I544-W546 HydrophobicContact CG2-CZ3 4.43Å; I544-W560 HydrophobicContact CD1-CZ3 4.28Å; I544-W560 HydrophobicContact CG2-CH2 4.29Å; I544-W560 HydrophobicContact CG2-CZ3 3.87Å |
| 545 | V | 95.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.4 | 167 | -173.5 | 0 | 0 | 0 | 0 | 109 | L502 G503 I504 C505 L547 I573 F594 V633 V635 | L502-V545 HydrophobicContact CD1-CG2 4.05Å; G503-V545 PolarHBondContact O-N 3.15Å; I504-V545 WeakPolarHBondContact CA-O 3.43Å; I504-V545 HydrophobicContact CG1-CB 4.26Å; I504-V545 HydrophobicContact CG2-CB 4.39Å; C505-V545 PolarHBondContact N-O 2.98Å; V545-L547 HydrophobicContact CG1-CD1 4.19Å; V545-L547 HydrophobicContact CG1-CD2 3.57Å; V545-L547 HydrophobicContact CG1-CG 3.83Å; V545-I573 HydrophobicContact CG2-CD1 3.84Å; V545-I573 HydrophobicContact CG2-CG1 4.45Å; V545-I573 HydrophobicContact CG2-CG2 4.29Å; V545-F594 HydrophobicContact CG1-CD2 4.04Å; V545-F594 HydrophobicContact CG1-CE2 4.21Å; V545-F594 HydrophobicContact CG2-CE2 4.44Å; V545-V633 HydrophobicContact CG1-CG1 4.25Å; V545-V633 HydrophobicContact CG2-CG1 4.43Å; V545-V635 HydrophobicContact CG2-CG2 4.06Å |
| 546 | W | 96.3 | Very high | 90.5 | Very high | 17 Ų | 17 | 30.1 Ų | 30.1 | 6% | 0.064 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 111.9 | -175.8 | -58.4 | 92.7 | 0 | 0 | 0 | 110.9 | C505 L513 A516 R517 F520 C540 I544 W560 A626 | C505-W546 HydrophobicContact CB-CD2 4.39Å; C505-W546 HydrophobicContact CB-CE3 3.54Å; C505-W546 HydrophobicContact CB-CZ3 3.68Å; L513-W546 HydrophobicContact CD1-CB 4.1Å; L513-W546 HydrophobicContact CD2-CB 4.16Å; L513-W546 HydrophobicContact CD2-CE3 4.37Å; L513-W546 HydrophobicContact CG-CB 4.37Å; L513-W546 HydrophobicContact CG-CE3 4.41Å; A516-W546 HydrophobicContact CB-CZ3 4.37Å; R517-W546 VanDerWaalsContact CA-CZ3 3.46Å; R517-W546 HydrophobicContact CB-CD2 4.46Å; R517-W546 HydrophobicContact CB-CE3 4.03Å; R517-W546 HydrophobicContact CB-CH2 3.67Å; R517-W546 HydrophobicContact CB-CZ2 4.1Å; R517-W546 HydrophobicContact CB-CZ3 3.62Å; R517-W546 HydrophobicContact CG-CD2 4.43Å; R517-W546 HydrophobicContact CG-CE3 4.47Å; R517-W546 HydrophobicContact CG-CH2 3.82Å; R517-W546 HydrophobicContact CG-CZ2 3.72Å; R517-W546 HydrophobicContact CG-CZ3 4.19Å; F520-W546 HydrophobicContact CB-CH2 4.01Å; F520-W546 HydrophobicContact CD1-CZ2 4.49Å; F520-W546 HydrophobicContact CG-CH2 4.34Å; C540-W546 HydrophobicContact CB-CZ2 4.21Å; C540-W546 PolarHBondContact O-NE1 3.03Å; I544-W546 HydrophobicContact CB-CZ2 3.92Å; I544-W546 HydrophobicContact CG1-CZ2 4.28Å; I544-W546 HydrophobicContact CG2-CD2 3.83Å; I544-W546 HydrophobicContact CG2-CE3 4.35Å; I544-W546 HydrophobicContact CG2-CG 4.3Å; I544-W546 HydrophobicContact CG2-CH2 4.01Å; I544-W546 HydrophobicContact CG2-CZ2 3.47Å; I544-W546 VanDerWaalsContact CG2-CZ2 3.47Å; I544-W546 HydrophobicContact CG2-CZ3 4.43Å; W546-W560 AromaticContact CH2-CH2 3.44Å; W546-W560 HydrophobicContact CH2-CH2 3.44Å; W546-W560 VanDerWaalsContact CH2-CH2 3.44Å; W546-W560 HydrophobicContact CH2-CZ2 4.1Å; W546-W560 HydrophobicContact CH2-CZ3 4.37Å; W546-W560 HydrophobicContact CZ2-CH2 4.35Å; W546-W560 AromaticContact CZ3-CH2 3.65Å; W546-W560 HydrophobicContact CZ3-CH2 3.65Å; W546-W560 HydrophobicContact CZ3-CZ2 4.07Å; W546-W560 HydrophobicContact CZ3-CZ3 4.49Å; W546-A626 HydrophobicContact CB-CB 3.69Å; W546-A626 HydrophobicContact CG-CB 4.34Å; W546-A626 PolarHBondContact O-N 3.29Å |
| 547 | L | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.2 | -169.8 | -55.1 | 178.9 | 0 | 0 | 0 | 111.2 | I504 C505 Y506 A507 V545 F594 V622 F625 | I504-L547 HydrophobicContact CG2-CD1 3.6Å; I504-L547 HydrophobicContact CG2-CG 4.19Å; C505-L547 PolarHBondContact O-N 3.44Å; Y506-L547 HydrophobicContact CD1-CB 4.25Å; Y506-L547 HydrophobicContact CD1-CD1 4.03Å; Y506-L547 HydrophobicContact CE1-CD1 3.69Å; A507-L547 PolarHBondContact N-O 2.95Å; V545-L547 HydrophobicContact CG1-CD1 4.19Å; V545-L547 HydrophobicContact CG1-CD2 3.57Å; V545-L547 HydrophobicContact CG1-CG 3.83Å; L547-F594 HydrophobicContact CD1-CD1 3.48Å; L547-F594 VanDerWaalsContact CD1-CD1 3.48Å; L547-F594 HydrophobicContact CD1-CE1 3.59Å; L547-F594 HydrophobicContact CD1-CG 4.13Å; L547-F594 HydrophobicContact CD1-CZ 4.33Å; L547-F594 HydrophobicContact CD2-CB 4.28Å; L547-F594 HydrophobicContact CD2-CD1 4.38Å; L547-F594 HydrophobicContact CD2-CG 4.3Å; L547-V622 HydrophobicContact CB-CG1 4.4Å; L547-V622 HydrophobicContact CD1-CG1 4.03Å; L547-V622 HydrophobicContact CD2-CB 4.48Å; L547-V622 HydrophobicContact CD2-CG1 4.03Å; L547-V622 HydrophobicContact CD2-CG2 4.26Å; L547-V622 HydrophobicContact CG-CG1 4.37Å; L547-F625 HydrophobicContact CD2-CD1 3.56Å; L547-F625 HydrophobicContact CD2-CE1 3.43Å; L547-F625 VanDerWaalsContact CD2-CE1 3.43Å |
| 548 | V | 94.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 7% | 0.067 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.9 | 164 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | A507 L513 V623 K624 | A507-V548 CarbonylContact O-C 3.53Å; A507-V548 VanDerWaalsContact O-CA 3.22Å; A507-V548 WeakPolarHBondContact O-CA 3.41Å; L513-V548 HydrophobicContact CD1-CG2 3.67Å; V548-V623 HydrophobicContact CB-CB 4.34Å; V548-V623 HydrophobicContact CG1-CB 4.14Å; V548-V623 HydrophobicContact CG1-CG1 4.35Å; V548-V623 VanDerWaalsContact O-CB 3.31Å; V548-V623 WeakPolarHBondContact O-CB 3.41Å; V548-V623 PolarHBondContact O-N 2.98Å; V548-K624 HydrophobicContact CB-CB 4.01Å; V548-K624 WeakPolarHBondContact CB-O 2.95Å; V548-K624 HydrophobicContact CG2-CB 4.13Å; V548-K624 PolarHBondContact N-O 3.01Å |
| 549 | V | 94.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | trans | -117 | 171.8 | 176.4 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | I361 V363 Y506 A507 I508 L552 | I361-V549 HydrophobicContact CD1-CG1 4.13Å; V363-V549 HydrophobicContact CG2-CB 4.37Å; V363-V549 HydrophobicContact CG2-CG1 4.2Å; Y506-V549 HydrophobicContact CD1-CG1 3.72Å; Y506-V549 HydrophobicContact CG-CG1 4.41Å; A507-V549 PolarHBondContact O-N 3.47Å; I508-V549 WeakPolarHBondContact CA-O 3.13Å; V549-L552 HydrophobicContact CG2-CD2 3.77Å; V549-L552 HydrophobicContact CG2-CG 4.08Å | ||
| 550 | S | 92.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 19.5 Ų | 19.5 | 23% | 0.231 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -85.1 | -38.1 | -174.8 | -58 | 0 | 0 | 0 | 0 | 113.2 | C362 N364 | C362-S550 PolarHBondContact O-N 3.13Å; N364-S550 WeakPolarHBondContact CB-OG 3.4Å; N364-S550 PolarHBondContact N-OG 3.32Å |
| 551 | N | 94.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 6% | 0.059 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -159.9 | 155.8 | -179.8 | -174.1 | -127.7 | 0 | 0 | 0 | 111.1 | R315 L316 C362 | R315-N551 HydrophobicContact CG-CB 4.09Å; R315-N551 WeakPolarHBondContact CG-OD1 3.39Å; L316-N551 WeakPolarHBondContact CA-OD1 3.27Å; L316-N551 WeakPolarHBondContact CB-OD1 3.39Å; L316-N551 PolarHBondContact N-OD1 2.81Å; C362-N551 HydrophobicContact CB-CB 3.93Å; C362-N551 WeakPolarHBondContact CB-O 3.38Å; C362-N551 PolarHBondContact N-O 3.23Å; C362-N551 PolarHBondContact O-N 2.82Å |
| 552 | L | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -127.2 | 159.1 | 178.6 | -63.2 | 170.6 | 0 | 0 | 0 | 109.8 | I361 I508 V549 N555 A556 E559 | I361-L552 HydrophobicContact CB-CD2 4.25Å; I361-L552 HydrophobicContact CG2-CD2 3.7Å; I508-L552 HydrophobicContact CG2-CD1 4.06Å; I508-L552 HydrophobicContact CG2-CG 4.07Å; V549-L552 HydrophobicContact CG2-CD2 3.77Å; V549-L552 HydrophobicContact CG2-CG 4.08Å; L552-N555 PolarHBondContact O-N 3.12Å; L552-A556 HydrophobicContact CB-CB 4.02Å; L552-A556 WeakPolarHBondContact CB-O 3.22Å; L552-A556 HydrophobicContact CD1-CB 4.42Å; L552-E559 HydrophobicContact CD1-CB 3.85Å; L552-E559 HydrophobicContact CD2-CB 3.84Å; L552-E559 HydrophobicContact CG-CB 4.39Å | ||
| 553 | P | 92.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 4% | 0.039 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -53.7 | 148.4 | 176.3 | -25 | 34.3 | 0 | 0 | 0 | 112.8 | L316 F321 C360 N555 A556 E559 | L316-P553 HydrophobicContact CD1-CG 4Å; F321-P553 HydrophobicContact CD2-CB 4.4Å; F321-P553 HydrophobicContact CE1-CB 4.19Å; F321-P553 HydrophobicContact CE2-CB 3.86Å; F321-P553 HydrophobicContact CE2-CG 3.82Å; F321-P553 HydrophobicContact CZ-CB 3.74Å; F321-P553 HydrophobicContact CZ-CG 4.06Å; C360-P553 HydrophobicContact CB-CG 4.42Å; C360-P553 WeakPolarHBondContact O-CD 3.24Å; C360-P553 VanDerWaalsContact O-CG 3.31Å; C360-P553 WeakPolarHBondContact O-CG 3.13Å; P553-N555 PolarHBondContact O-N 3.07Å; P553-N555 VanDerWaalsContact O-N 3.12Å; P553-A556 WeakPolarHBondContact O-CB 3.36Å; P553-A556 PolarHBondContact O-N 3.32Å; P553-E559 VanDerWaalsContact CD-OE2 3.32Å; P553-E559 WeakPolarHBondContact CD-OE2 3.27Å |
| 554 | K | 91.3 | Very high | 95 | Very high | 70 Ų | 70 | 11.3 Ų | 11.3 | 30% | 0.304 | 6% | 0.059 | S | C | . | . | G | 310 helix | trans | 53.3 | 27.5 | -178.2 | -65 | -167.3 | 165 | -162.3 | 0 | 114.2 | I416 I450 L452 E457 I459 A556 | I416-K554 HydrophobicContact CD1-CD 4.35Å; I450-K554 HydrophobicContact CD1-CB 4.2Å; I450-K554 HydrophobicContact CD1-CD 4.26Å; I450-K554 HydrophobicContact CD1-CG 4.43Å; L452-K554 HydrophobicContact CD1-CD 4.32Å; L452-K554 HydrophobicContact CD2-CD 3.8Å; E457-K554 PolarHBondContact O-NZ 2.69Å; I459-K554 HydrophobicContact CG1-CB 4.33Å; K554-A556 PolarHBondContact O-N 3.49Å; K554-A556 VanDerWaalsContact O-N 3.17Å |
| 555 | N | 92 | Very high | 94.7 | Very high | 53 Ų | 53 | 11 Ų | 11 | 28% | 0.283 | 6% | 0.058 | S | C | . | . | G | 310 helix | trans | 54.7 | 28.4 | -173.8 | -55.1 | -58.5 | 0 | 0 | 0 | 114 | E462 L552 P553 | E462-N555 PolarHBondContact OE1-ND2 3.24Å; L552-N555 PolarHBondContact O-N 3.12Å; P553-N555 PolarHBondContact O-N 3.07Å; P553-N555 VanDerWaalsContact O-N 3.12Å |
| 556 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -57.6 | 150.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I450 I459 E476 I508 L552 P553 K554 | I450-A556 HydrophobicContact CB-CB 3.78Å; I450-A556 HydrophobicContact CD1-CB 4.44Å; I450-A556 HydrophobicContact CG2-CB 3.54Å; I459-A556 HydrophobicContact CD1-CB 4.06Å; E476-A556 VanDerWaalsContact OE1-CA 3.28Å; E476-A556 WeakPolarHBondContact OE1-CA 3.3Å; E476-A556 WeakPolarHBondContact OE1-CB 3.35Å; I508-A556 WeakPolarHBondContact CG2-O 3.47Å; L552-A556 HydrophobicContact CB-CB 4.02Å; L552-A556 WeakPolarHBondContact CB-O 3.22Å; L552-A556 HydrophobicContact CD1-CB 4.42Å; P553-A556 WeakPolarHBondContact O-CB 3.36Å; P553-A556 PolarHBondContact O-N 3.32Å; K554-A556 PolarHBondContact O-N 3.49Å; K554-A556 VanDerWaalsContact O-N 3.17Å | ||
| 557 | T | 97.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 12.7 Ų | 12.7 | 4% | 0.037 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -93.4 | -26.8 | 176.4 | 59.1 | 0 | 0 | 0 | 0 | 111.9 | L473 E476 A507 I508 | L473-T557 HydrophobicContact CD1-CG2 4.3Å; L473-T557 VanDerWaalsContact CD1-OG1 3.22Å; L473-T557 WeakPolarHBondContact CD1-OG1 3.5Å; E476-T557 PolarHBondContact OE1-N 2.88Å; E476-T557 PolarHBondContact OE1-OG1 3.38Å; E476-T557 PolarHBondContact OE2-OG1 2.91Å; A507-T557 VanDerWaalsContact CA-O 3.31Å; A507-T557 WeakPolarHBondContact CA-O 3.45Å; I508-T557 HydrophobicContact CD1-CG2 3.86Å; I508-T557 HydrophobicContact CG1-CG2 4.45Å; I508-T557 PolarHBondContact N-O 3.44Å |
| 558 | V | 98 | Very high | 91.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133.5 | -178 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | L473 Y506 A516 | L473-V558 HydrophobicContact CD1-CG2 4.47Å; Y506-V558 CarbonylContact O-C 3.6Å; Y506-V558 WeakPolarHBondContact O-CA 3.35Å; A516-V558 HydrophobicContact CB-CG1 3.73Å; A516-V558 HydrophobicContact CB-CG2 4.05Å |
| 559 | E | 98.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136 | 171.6 | -175.9 | 172.7 | 150.1 | 0 | 0 | 110.8 | G448 Q449 I450 Y506 L552 P553 | G448-E559 VanDerWaalsContact CA-OE1 3.24Å; G448-E559 WeakPolarHBondContact CA-OE1 3.21Å; Q449-E559 WeakPolarHBondContact O-CA 3.44Å; I450-E559 HydrophobicContact CG2-CB 3.83Å; I450-E559 HydrophobicContact CG2-CG 3.89Å; Y506-E559 PolarHBondContact N-O 3.02Å; Y506-E559 PolarHBondContact O-N 2.96Å; L552-E559 HydrophobicContact CD1-CB 3.85Å; L552-E559 HydrophobicContact CD2-CB 3.84Å; L552-E559 HydrophobicContact CG-CB 4.39Å; P553-E559 VanDerWaalsContact CD-OE2 3.32Å; P553-E559 WeakPolarHBondContact CD-OE2 3.27Å |
| 560 | W | 98.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.5 | 176.3 | -75.3 | 102 | 0 | 0 | 0 | 112.2 | G448 Q449 C484 C505 A516 F520 I544 W546 W562 | G448-W560 CarbonylContact C-O 3.6Å; G448-W560 WeakPolarHBondContact CA-O 3.39Å; Q449-W560 PolarHBondContact N-O 2.76Å; Q449-W560 PolarHBondContact O-N 3.44Å; C484-W560 WeakPolarHBondContact SG-CB 3.35Å; C505-W560 HydrophobicContact CB-CD2 4.24Å; C505-W560 HydrophobicContact CB-CE3 3.78Å; C505-W560 HydrophobicContact CB-CH2 3.82Å; C505-W560 HydrophobicContact CB-CZ2 4.19Å; C505-W560 HydrophobicContact CB-CZ3 3.58Å; A516-W560 HydrophobicContact CB-CZ2 4.41Å; F520-W560 HydrophobicContact CB-CH2 4.01Å; F520-W560 HydrophobicContact CB-CZ2 4.07Å; F520-W560 AromaticContact CD2-CH2 3.71Å; F520-W560 HydrophobicContact CD2-CH2 3.71Å; F520-W560 HydrophobicContact CD2-CZ2 4.2Å; F520-W560 HydrophobicContact CD2-CZ3 4.34Å; F520-W560 HydrophobicContact CE2-CH2 4.48Å; F520-W560 HydrophobicContact CG-CH2 4.02Å; F520-W560 HydrophobicContact CG-CZ2 4.47Å; I544-W560 HydrophobicContact CD1-CZ3 4.28Å; I544-W560 HydrophobicContact CG2-CH2 4.29Å; I544-W560 HydrophobicContact CG2-CZ3 3.87Å; W546-W560 AromaticContact CH2-CH2 3.44Å; W546-W560 HydrophobicContact CH2-CH2 3.44Å; W546-W560 VanDerWaalsContact CH2-CH2 3.44Å; W546-W560 HydrophobicContact CH2-CZ2 4.1Å; W546-W560 HydrophobicContact CH2-CZ3 4.37Å; W546-W560 HydrophobicContact CZ2-CH2 4.35Å; W546-W560 AromaticContact CZ3-CH2 3.65Å; W546-W560 HydrophobicContact CZ3-CH2 3.65Å; W546-W560 HydrophobicContact CZ3-CZ2 4.07Å; W546-W560 HydrophobicContact CZ3-CZ3 4.49Å; W560-W562 AromaticContact CD2-NE1 3.68Å; W560-W562 AromaticContact CE3-CD1 3.96Å; W560-W562 AromaticContact CE3-NE1 3.14Å; W560-W562 AromaticContact CZ3-NE1 3.79Å |
| 561 | Q | 96.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 15.6 Ų | 15.6 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.8 | 166.7 | 168.5 | -177.9 | 14.8 | 0 | 0 | 109.7 | V359 G503 I504 Y506 | V359-Q561 HydrophobicContact CG1-CB 4.33Å; V359-Q561 HydrophobicContact CG2-CB 3.69Å; V359-Q561 HydrophobicContact CG2-CG 3.57Å; G503-Q561 CarbonylContact C-O 3.46Å; G503-Q561 WeakPolarHBondContact CA-O 3.13Å; I504-Q561 HydrophobicContact CB-CB 4.35Å; I504-Q561 PolarHBondContact N-O 3.01Å; I504-Q561 PolarHBondContact O-N 2.67Å; Y506-Q561 HydrophobicContact CE2-CB 3.83Å; Y506-Q561 PolarHBondContact OH-OE1 3.24Å |
| 562 | W | 95.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 155.3 | 179.1 | -64.7 | -5.2 | 0 | 0 | 0 | 112.8 | Y446 L481 C484 M488 W497 L500 L502 W560 | Y446-W562 HydrophobicContact CD2-CB 3.88Å; Y446-W562 WeakPolarHBondContact CD2-O 3.01Å; Y446-W562 HydrophobicContact CG-CB 4.3Å; Y446-W562 PolarHBondContact N-O 3.43Å; L481-W562 HydrophobicContact CD1-CH2 3.92Å; L481-W562 HydrophobicContact CD1-CZ2 3.66Å; C484-W562 HydrophobicContact CB-CD2 3.85Å; C484-W562 HydrophobicContact CB-CE3 3.61Å; C484-W562 HydrophobicContact CB-CH2 3.02Å; C484-W562 HydrophobicContact CB-CZ2 3.35Å; C484-W562 HydrophobicContact CB-CZ3 3.22Å; M488-W562 HydrophobicContact CE-CE3 3.37Å; M488-W562 HydrophobicContact CE-CZ3 3.39Å; W497-W562 AromaticContact CH2-CH2 2.96Å; W497-W562 HydrophobicContact CH2-CH2 2.96Å; W497-W562 AromaticContact CH2-CZ2 3.68Å; W497-W562 HydrophobicContact CH2-CZ2 3.68Å; W497-W562 AromaticContact CH2-CZ3 3.55Å; W497-W562 HydrophobicContact CH2-CZ3 3.55Å; W497-W562 AromaticContact CZ2-CH2 3.77Å; W497-W562 HydrophobicContact CZ2-CH2 3.77Å; W497-W562 HydrophobicContact CZ2-CZ3 4.16Å; W497-W562 AromaticContact CZ3-CH2 3.46Å; W497-W562 HydrophobicContact CZ3-CH2 3.46Å; W497-W562 VanDerWaalsContact CZ3-CH2 3.46Å; W497-W562 AromaticContact CZ3-CZ2 3.97Å; W497-W562 HydrophobicContact CZ3-CZ2 3.97Å; W497-W562 AromaticContact CZ3-CZ3 3.73Å; W497-W562 HydrophobicContact CZ3-CZ3 3.73Å; L500-W562 HydrophobicContact CD1-CB 4.4Å; L500-W562 HydrophobicContact CD1-CD2 4.34Å; L500-W562 HydrophobicContact CD1-CG 4.27Å; L502-W562 CarbonylContact O-C 3.55Å; L502-W562 WeakPolarHBondContact O-CA 3.33Å; W560-W562 AromaticContact CD2-NE1 3.68Å; W560-W562 AromaticContact CE3-CD1 3.96Å; W560-W562 AromaticContact CE3-NE1 3.14Å; W560-W562 AromaticContact CZ3-NE1 3.79Å |
| 563 | I | 95 | Very high | 88.8 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 125.4 | 165.2 | -53.8 | 176.3 | 0 | 0 | 0 | 106.3 | I385 F443 T444 F445 F501 L502 | I385-I563 HydrophobicContact CD1-CD1 4.09Å; F443-I563 HydrophobicContact CD1-CG2 3.96Å; F443-I563 HydrophobicContact CE1-CG2 4.41Å; T444-I563 CarbonylContact O-C 3.48Å; T444-I563 WeakPolarHBondContact O-CA 3.31Å; F445-I563 HydrophobicContact CD1-CD1 4Å; F445-I563 HydrophobicContact CD1-CG1 3.92Å; F445-I563 HydrophobicContact CD1-CG2 4.08Å; F445-I563 HydrophobicContact CE1-CD1 3.98Å; F445-I563 HydrophobicContact CE1-CG1 4.28Å; F445-I563 HydrophobicContact CE1-CG2 3.94Å; F501-I563 WeakPolarHBondContact CA-O 3.07Å; F501-I563 HydrophobicContact CB-CG2 4.48Å; F501-I563 WeakPolarHBondContact CB-O 3.33Å; F501-I563 HydrophobicContact CD1-CB 4.32Å; F501-I563 HydrophobicContact CD1-CG2 3.97Å; F501-I563 PolarHBondContact N-O 2.8Å; L502-I563 HydrophobicContact CB-CB 4.33Å; L502-I563 HydrophobicContact CD2-CD1 4.27Å; L502-I563 PolarHBondContact N-O 3.45Å; L502-I563 PolarHBondContact O-N 2.9Å |
| 564 | T | 93.4 | Very high | 88.5 | Confident | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 143.8 | 165.1 | 57.2 | 0 | 0 | 0 | 0 | 108.9 | F443 T444 Y446 M488 N499 | F443-T564 CarbonylContact C-O 3.55Å; F443-T564 WeakPolarHBondContact CA-O 3.43Å; T444-T564 VanDerWaalsContact CB-OG1 3.3Å; T444-T564 WeakPolarHBondContact CB-OG1 3.47Å; T444-T564 PolarHBondContact N-O 3.36Å; T444-T564 PolarHBondContact O-N 3.13Å; Y446-T564 HydrophobicContact CE2-CG2 3.74Å; Y446-T564 WeakPolarHBondContact CE2-OG1 3.37Å; Y446-T564 PolarHBondContact OH-OG1 2.91Å; Y446-T564 VanDerWaalsContact OH-OG1 3.05Å; M488-T564 HydrophobicContact CE-CG2 3.58Å; M488-T564 HydrophobicContact CG-CG2 4.33Å; M488-T564 HydrophobicContact SD-CG2 4.39Å; N499-T564 CarbonylContact O-C 3.49Å; N499-T564 WeakPolarHBondContact O-CA 3.34Å; N499-T564 WeakPolarHBondContact O-CB 3.39Å |
| 565 | G | 87.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | trans | -146.9 | 179.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N499 | N499-G565 WeakPolarHBondContact CB-O 3.4Å; N499-G565 VanDerWaalsContact CG-O 3.22Å; N499-G565 PolarHBondContact ND2-O 3.17Å; N499-G565 PolarHBondContact O-N 3.32Å | ||
| 566 | P | 77.3 | Confident | 87.5 | Confident | 4 Ų | 4 | 14.7 Ų | 14.7 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | trans | -65.1 | 150.2 | -179.7 | 29.3 | -35.5 | 0 | 0 | 0 | 111.7 | I427 D441 S568 L569 | I427-P566 HydrophobicContact CD1-CB 3.38Å; I427-P566 HydrophobicContact CD1-CG 3.42Å; I427-P566 VanDerWaalsContact CD1-CG 3.42Å; D441-P566 HydrophobicContact CB-CB 4.3Å; P566-S568 PolarHBondContact O-N 3.26Å; P566-L569 HydrophobicContact CG-CB 4.39Å; P566-L569 HydrophobicContact CG-CD1 3.85Å; P566-L569 HydrophobicContact CG-CG 4.03Å; P566-L569 PolarHBondContact O-N 3.07Å | ||
| 567 | S | 74.4 | Confident | 86.5 | Confident | 51 Ų | 51 | 18.5 Ų | 18.5 | 36% | 0.357 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.9 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 113.3 | N499 L569 K640 | N499-S567 PolarHBondContact OD1-OG 3.44Å; S567-L569 VanDerWaalsContact C-N 3.35Å; S567-K640 VanDerWaalsContact O-CD 3.31Å; S567-K640 WeakPolarHBondContact O-CD 3.49Å; S567-K640 WeakPolarHBondContact O-CE 3.25Å; S567-K640 PolarHBondContact O-NZ 2.89Å |
| 568 | S | 72.2 | Confident | 85.4 | Confident | 42 Ų | 42 | 24.3 Ų | 24.3 | 29% | 0.294 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -18.6 | -177.7 | 59.3 | 0 | 0 | 0 | 0 | 114.7 | Y245 P566 K640 | Y245-S568 PolarHBondContact OH-OG 3.12Å; P566-S568 PolarHBondContact O-N 3.26Å; S568-K640 WeakPolarHBondContact O-CB 3.48Å; S568-K640 PolarHBondContact O-N 3.47Å; S568-K640 VanDerWaalsContact O-N 3.11Å |
| 569 | L | 78.3 | Confident | 84.2 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.068 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 143.3 | 175.9 | -64.2 | 174.8 | 0 | 0 | 0 | 110 | F443 F501 P566 S567 V637 K640 | F443-L569 HydrophobicContact CE2-CD1 3.92Å; F443-L569 HydrophobicContact CZ-CD1 3.48Å; F443-L569 VanDerWaalsContact CZ-CD1 3.48Å; F501-L569 HydrophobicContact CD2-CB 4.49Å; F501-L569 HydrophobicContact CE2-CB 3.87Å; P566-L569 HydrophobicContact CG-CB 4.39Å; P566-L569 HydrophobicContact CG-CD1 3.85Å; P566-L569 HydrophobicContact CG-CG 4.03Å; P566-L569 PolarHBondContact O-N 3.07Å; S567-L569 VanDerWaalsContact C-N 3.35Å; L569-V637 HydrophobicContact CD2-CG1 4.19Å; L569-K640 VanDerWaalsContact O-CE 3.24Å; L569-K640 WeakPolarHBondContact O-CE 3.35Å; L569-K640 PolarHBondContact O-NZ 2.83Å |
| 570 | S | 79.6 | Confident | 82.8 | Confident | 26 Ų | 26 | 28.8 Ų | 28.8 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 151.9 | 167.5 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | Q638 K640 | S570-Q638 PolarHBondContact N-O 3.2Å; S570-Q638 PolarHBondContact O-N 3.34Å; S570-Q638 VanDerWaalsContact O-O 3.05Å; S570-Q638 PolarHBondContact OG-O 2.94Å; S570-K640 VanDerWaalsContact CB-CG 3.48Å |
| 571 | L | 84.1 | Confident | 81.3 | Confident | 26 Ų | 26 | 33.2 Ų | 33.2 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 138.6 | 175.2 | 180 | 137.3 | 0 | 0 | 0 | 108.2 | F501 L502 I573 F591 V635 | F501-L571 HydrophobicContact CD1-CD1 4.16Å; F501-L571 HydrophobicContact CE1-CD1 3.72Å; F501-L571 HydrophobicContact CE2-CB 4.14Å; F501-L571 HydrophobicContact CZ-CB 4.29Å; F501-L571 HydrophobicContact CZ-CD1 3.93Å; L502-L571 HydrophobicContact CB-CD1 3.96Å; L502-L571 HydrophobicContact CD1-CD1 4.16Å; L502-L571 HydrophobicContact CD1-CD2 4.2Å; L502-L571 HydrophobicContact CD2-CD1 4.45Å; L502-L571 HydrophobicContact CG-CD1 4.41Å; L571-I573 HydrophobicContact CD2-CD1 3.78Å; L571-I573 HydrophobicContact CD2-CG1 3.33Å; L571-F591 HydrophobicContact CD1-CE1 4.19Å; L571-F591 HydrophobicContact CD1-CZ 3.86Å; L571-V635 HydrophobicContact CD1-CG1 3.48Å; L571-V635 VanDerWaalsContact CD1-CG1 3.48Å; L571-V635 HydrophobicContact CD2-CG1 3.93Å; L571-V635 HydrophobicContact CG-CG1 3.78Å |
| 572 | V | 83.8 | Confident | 79.5 | Confident | 38 Ų | 38 | 41.8 Ų | 41.8 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 116.6 | 178 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | T574 S636 Q638 | V572-T574 VanDerWaalsContact CG1-OG1 3.25Å; V572-T574 WeakPolarHBondContact CG1-OG1 3.32Å; V572-S636 PolarHBondContact N-O 3.42Å; V572-S636 PolarHBondContact O-N 2.99Å; V572-Q638 VanDerWaalsContact CG2-CD 3.45Å; V572-Q638 HydrophobicContact CG2-CG 4Å |
| 573 | I | 84.7 | Confident | 77.4 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 20% | 0.195 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 111.9 | 171.9 | -54.7 | 179.4 | 0 | 0 | 0 | 107.7 | V545 L571 V633 F634 | V545-I573 HydrophobicContact CG2-CD1 3.84Å; V545-I573 HydrophobicContact CG2-CG1 4.45Å; V545-I573 HydrophobicContact CG2-CG2 4.29Å; L571-I573 HydrophobicContact CD2-CD1 3.78Å; L571-I573 HydrophobicContact CD2-CG1 3.33Å; I573-V633 HydrophobicContact CG2-CG1 3.46Å; I573-V633 VanDerWaalsContact CG2-CG1 3.46Å; I573-F634 WeakPolarHBondContact CA-O 3.35Å |
| 574 | T | 85.3 | Confident | 75.5 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 14% | 0.141 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.2 | -178.2 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | V572 K578 V579 V633 F634 | V572-T574 VanDerWaalsContact CG1-OG1 3.25Å; V572-T574 WeakPolarHBondContact CG1-OG1 3.32Å; T574-K578 HydrophobicContact CG2-CB 3.61Å; T574-K578 HydrophobicContact CG2-CD 4.39Å; T574-V579 HydrophobicContact CG2-CG2 3.64Å; T574-V633 CarbonylContact O-C 3.5Å; T574-V633 WeakPolarHBondContact O-CA 3.43Å; T574-F634 PolarHBondContact N-O 2.92Å; T574-F634 PolarHBondContact O-N 2.7Å |
| 575 | S | 84 | Confident | 74.2 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 155.6 | 172.5 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | N577 K578 V579 A632 | S575-N577 VanDerWaalsContact C-N 3.27Å; S575-N577 PolarHBondContact O-N 2.74Å; S575-K578 WeakPolarHBondContact O-CA 3.45Å; S575-K578 WeakPolarHBondContact O-CB 3.01Å; S575-K578 PolarHBondContact O-N 3.48Å; S575-K578 WeakPolarHBondContact OG-CG 3.06Å; S575-V579 PolarHBondContact O-N 2.65Å; S575-A632 CarbonylContact C-O 3.47Å; S575-A632 WeakPolarHBondContact CA-O 3.37Å |
| 576 | L | 79.3 | Confident | 73.3 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -52.1 | -44.8 | 176.4 | -178.5 | 57.3 | 0 | 0 | 0 | 113.2 | K578 V579 L580 L610 T631 A632 F634 | L576-K578 PolarHBondContact O-N 3.16Å; L576-V579 PolarHBondContact O-N 2.82Å; L576-L580 HydrophobicContact CD1-CD1 4.16Å; L576-L580 HydrophobicContact CD1-CG 3.98Å; L576-L580 HydrophobicContact CG-CD1 4Å; L576-L580 HydrophobicContact CG-CG 4.28Å; L576-L580 PolarHBondContact O-N 3.49Å; L576-L610 HydrophobicContact CD1-CD1 3.31Å; L576-T631 WeakPolarHBondContact CD2-OG1 3.37Å; L576-A632 HydrophobicContact CB-CB 4.08Å; L576-A632 PolarHBondContact N-O 2.95Å; L576-F634 HydrophobicContact CB-CE2 3.94Å; L576-F634 HydrophobicContact CD1-CE2 3.99Å; L576-F634 HydrophobicContact CD1-CZ 4.02Å |
| 577 | N | 75.2 | Confident | 73.1 | Confident | 80 Ų | 80 | 62.6 Ų | 62.6 | 43% | 0.428 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.8 | -37 | 177.6 | -62.6 | -20.5 | 0 | 0 | 0 | 112.1 | S575 S581 S629 | S575-N577 VanDerWaalsContact C-N 3.27Å; S575-N577 PolarHBondContact O-N 2.74Å; N577-S581 PolarHBondContact O-N 3.03Å; N577-S629 PolarHBondContact ND2-O 3.27Å |
| 578 | K | 74.1 | Confident | 73.2 | Confident | 128 Ų | 128 | 64.9 Ų | 64.9 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -73.9 | -36.6 | 176 | -70.9 | 178.6 | -179.9 | -178.2 | 0 | 112.1 | T574 S575 L576 S581 | T574-K578 HydrophobicContact CG2-CB 3.61Å; T574-K578 HydrophobicContact CG2-CD 4.39Å; S575-K578 WeakPolarHBondContact O-CA 3.45Å; S575-K578 WeakPolarHBondContact O-CB 3.01Å; S575-K578 PolarHBondContact O-N 3.48Å; S575-K578 WeakPolarHBondContact OG-CG 3.06Å; L576-K578 PolarHBondContact O-N 3.16Å; K578-S581 PolarHBondContact O-OG 3.36Å |
| 579 | V | 71.7 | Confident | 73.7 | Confident | 8 Ų | 8 | 65 Ų | 65 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.1 | -48.2 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | T574 S575 L576 S581 R582 F634 | T574-V579 HydrophobicContact CG2-CG2 3.64Å; S575-V579 PolarHBondContact O-N 2.65Å; L576-V579 PolarHBondContact O-N 2.82Å; V579-S581 VanDerWaalsContact C-N 3.27Å; V579-S581 PolarHBondContact O-N 3.29Å; V579-R582 PolarHBondContact O-N 3.09Å; V579-F634 HydrophobicContact CG2-CD2 3.91Å; V579-F634 HydrophobicContact CG2-CE2 4.16Å |
| 580 | L | 69 | Low | 74.2 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 48% | 0.482 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.7 | -36.3 | 179.1 | -71.1 | 176.2 | 0 | 0 | 0 | 112.5 | L576 R582 E583 L610 | L576-L580 HydrophobicContact CD1-CD1 4.16Å; L576-L580 HydrophobicContact CD1-CG 3.98Å; L576-L580 HydrophobicContact CG-CD1 4Å; L576-L580 HydrophobicContact CG-CG 4.28Å; L576-L580 PolarHBondContact O-N 3.49Å; L580-R582 PolarHBondContact O-N 3.08Å; L580-E583 PolarHBondContact O-N 2.83Å; L580-L610 HydrophobicContact CD2-CD1 4.02Å; L580-L610 HydrophobicContact CD2-CD2 3.87Å |
| 581 | S | 66.6 | Low | 74.7 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.9 | 175.9 | 70.1 | 0 | 0 | 0 | 0 | 115 | N577 K578 V579 | N577-S581 PolarHBondContact O-N 3.03Å; K578-S581 PolarHBondContact O-OG 3.36Å; V579-S581 VanDerWaalsContact C-N 3.27Å; V579-S581 PolarHBondContact O-N 3.29Å |
| 582 | R | 58.7 | Low | 75.2 | Confident | 184 Ų | 184 | 62 Ų | 62 | 69% | 0.694 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 13.8 | -176.1 | -72.2 | -176.8 | 174.2 | -173.7 | -0.5 | 113.6 | V579 L580 S584 | V579-R582 PolarHBondContact O-N 3.09Å; L580-R582 PolarHBondContact O-N 3.08Å; R582-S584 WeakPolarHBondContact CB-OG 3.39Å; R582-S584 PolarHBondContact O-N 2.85Å; R582-S584 PolarHBondContact O-OG 2.81Å |
| 583 | E | 51.4 | Low | 75.6 | Confident | 198 Ų | 198 | 60.2 Ų | 60.2 | 93% | 0.925 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 30.4 | -175.8 | -65.4 | -172.1 | 164 | 0 | 0 | 113.7 | L580 | L580-E583 PolarHBondContact O-N 2.83Š|
| 584 | S | 55.7 | Low | 75.9 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | trans | -109.5 | 136.1 | -164.6 | -18.8 | 0 | 0 | 0 | 0 | 113.8 | R582 | R582-S584 WeakPolarHBondContact CB-OG 3.39Å; R582-S584 PolarHBondContact O-N 2.85Å; R582-S584 PolarHBondContact O-OG 2.81Å | ||
| 585 | I | 65.6 | Low | 76.1 | Confident | 136 Ų | 136 | 59 Ų | 59 | 70% | 0.697 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 144.9 | 154.9 | -61.1 | 165.4 | 0 | 0 | 0 | 108.1 | ||
| 586 | I | 67.5 | Low | 76.3 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.087 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 130.9 | 172.9 | -66.7 | 165.4 | 0 | 0 | 0 | 109.1 | S588 T590 L610 L611 F634 | I586-S588 PolarHBondContact O-N 2.83Å; I586-T590 HydrophobicContact CG2-CG2 4.28Å; I586-T590 WeakPolarHBondContact CG2-OG1 3.37Å; I586-L610 HydrophobicContact CD1-CB 3.89Å; I586-L610 HydrophobicContact CG1-CB 4.37Å; I586-L611 HydrophobicContact CD1-CB 4.46Å; I586-L611 HydrophobicContact CD1-CD2 3.31Å; I586-L611 HydrophobicContact CD1-CG 3.73Å; I586-F634 HydrophobicContact CD1-CD1 4.3Å; I586-F634 HydrophobicContact CD1-CE1 3.46Å; I586-F634 VanDerWaalsContact CD1-CE1 3.46Å; I586-F634 HydrophobicContact CD1-CZ 4.11Å; I586-F634 HydrophobicContact CG1-CD1 4.23Å; I586-F634 HydrophobicContact CG1-CE1 3.7Å; I586-F634 HydrophobicContact CG1-CZ 4.25Å; I586-F634 HydrophobicContact CG2-CD1 3.89Å; I586-F634 HydrophobicContact CG2-CE1 4.15Å |
| 587 | P | 73.7 | Confident | 76.3 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 131.7 | 179.4 | -26.7 | 35.5 | 0 | 0 | 0 | 111.8 | N589 T590 | P587-N589 WeakPolarHBondContact CB-OD1 3.19Å; P587-N589 PolarHBondContact O-N 2.82Å; P587-N589 VanDerWaalsContact O-N 3.12Å; P587-T590 VanDerWaalsContact O-CB 3.28Å; P587-T590 WeakPolarHBondContact O-CB 3.46Å; P587-T590 PolarHBondContact O-N 3.26Å; P587-T590 PolarHBondContact O-OG1 2.74Å |
| 588 | S | 76.8 | Confident | 76.3 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 69% | 0.692 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.2 | -175.8 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | R258 I586 T590 | R258-S588 PolarHBondContact NH1-O 3.1Å; I586-S588 PolarHBondContact O-N 2.83Å; S588-T590 VanDerWaalsContact C-N 3.31Å |
| 589 | N | 82.6 | Confident | 75.9 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 11.1 | 175.5 | 59.9 | -15.7 | 0 | 0 | 0 | 113.8 | P587 F591 S636 V637 | P587-N589 WeakPolarHBondContact CB-OD1 3.19Å; P587-N589 PolarHBondContact O-N 2.82Å; P587-N589 VanDerWaalsContact O-N 3.12Å; N589-F591 PolarHBondContact O-N 3.42Å; N589-S636 WeakPolarHBondContact O-CA 3.43Å; N589-V637 WeakPolarHBondContact CB-O 3.21Å; N589-V637 PolarHBondContact ND2-O 3.4Å; N589-V637 PolarHBondContact O-N 3.32Å |
| 590 | T | 88.1 | Confident | 75.7 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 117.9 | 174.1 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | R258 I586 P587 S588 Y615 F634 V635 S636 | R258-T590 WeakPolarHBondContact CG-O 3.36Å; I586-T590 HydrophobicContact CG2-CG2 4.28Å; I586-T590 WeakPolarHBondContact CG2-OG1 3.37Å; P587-T590 VanDerWaalsContact O-CB 3.28Å; P587-T590 WeakPolarHBondContact O-CB 3.46Å; P587-T590 PolarHBondContact O-N 3.26Å; P587-T590 PolarHBondContact O-OG1 2.74Å; S588-T590 VanDerWaalsContact C-N 3.31Å; T590-Y615 PolarHBondContact O-OH 2.71Å; T590-F634 HydrophobicContact CG2-CB 4.13Å; T590-F634 HydrophobicContact CG2-CD1 4.16Å; T590-V635 WeakPolarHBondContact CA-O 3.37Å; T590-S636 PolarHBondContact OG1-OG 3Å |
| 591 | F | 91.8 | Very high | 75.7 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -21.5 | -175.2 | 67.3 | -86.8 | 0 | 0 | 0 | 114 | R258 L260 V266 L502 L571 N589 F618 V635 V637 | R258-F591 HydrophobicContact CB-CB 3.69Å; L260-F591 HydrophobicContact CD1-CD1 4.01Å; L260-F591 HydrophobicContact CD1-CD2 3.66Å; L260-F591 HydrophobicContact CD1-CE1 3.69Å; L260-F591 HydrophobicContact CD1-CE2 3.33Å; L260-F591 HydrophobicContact CD1-CG 3.99Å; L260-F591 HydrophobicContact CD1-CZ 3.34Å; V266-F591 HydrophobicContact CB-CD2 4.35Å; V266-F591 HydrophobicContact CG2-CB 4.48Å; V266-F591 HydrophobicContact CG2-CD2 3.69Å; V266-F591 HydrophobicContact CG2-CE2 4.44Å; V266-F591 HydrophobicContact CG2-CG 4.46Å; L502-F591 HydrophobicContact CD2-CE2 4.39Å; L502-F591 HydrophobicContact CD2-CZ 4.36Å; L571-F591 HydrophobicContact CD1-CE1 4.19Å; L571-F591 HydrophobicContact CD1-CZ 3.86Å; N589-F591 PolarHBondContact O-N 3.42Å; F591-F618 PolarHBondContact O-N 2.88Å; F591-F618 VanDerWaalsContact O-N 3.09Å; F591-V635 VanDerWaalsContact CD1-O 3.32Å; F591-V635 WeakPolarHBondContact CD1-O 3.38Å; F591-V635 HydrophobicContact CE1-CB 4.28Å; F591-V635 HydrophobicContact CE1-CG1 3.68Å; F591-V635 HydrophobicContact CE2-CG1 4.24Å; F591-V635 HydrophobicContact CZ-CB 4.14Å; F591-V635 HydrophobicContact CZ-CG1 3.4Å; F591-V635 PolarHBondContact N-O 3.44Å; F591-V637 HydrophobicContact CD1-CG2 3.56Å; F591-V637 HydrophobicContact CE1-CG2 3.32Å; F591-V637 HydrophobicContact CZ-CG2 4.26Å |
| 592 | M | 93.9 | Very high | 75.7 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138 | 169.6 | -68.9 | 174.5 | 172.5 | 0 | 0 | 110.8 | V266 I309 L502 I504 F594 F618 V635 | V266-M592 HydrophobicContact CG1-CE 4.29Å; I309-M592 HydrophobicContact CD1-CE 3.53Å; L502-M592 HydrophobicContact CD2-SD 3.94Å; I504-M592 HydrophobicContact CD1-SD 4.16Å; M592-F594 HydrophobicContact CB-CE2 3.92Å; M592-F594 HydrophobicContact CB-CZ 4.2Å; M592-F594 HydrophobicContact SD-CE2 4.44Å; M592-F594 HydrophobicContact SD-CZ 4.1Å; M592-F618 CarbonylContact C-O 3.35Å; M592-F618 WeakPolarHBondContact CA-O 3.41Å; M592-F618 HydrophobicContact CB-CD1 4.21Å; M592-F618 HydrophobicContact CG-CB 4.04Å; M592-F618 HydrophobicContact CG-CD1 3.84Å; M592-F618 HydrophobicContact CG-CG 4.36Å; M592-F618 HydrophobicContact SD-CD1 4.47Å; M592-V635 HydrophobicContact CB-CB 4.07Å; M592-V635 HydrophobicContact CB-CG2 4.23Å; M592-V635 PolarHBondContact N-O 3.18Å; M592-V635 PolarHBondContact O-N 3.1Å |
| 593 | L | 91.3 | Very high | 76.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 118 | 174.6 | 172.4 | 59.8 | 0 | 0 | 0 | 109.9 | L607 L611 Y615 F618 M619 L620 A632 F634 | L593-L607 HydrophobicContact CD1-CD2 4.39Å; L593-L607 HydrophobicContact CD2-CD2 4.25Å; L593-L611 HydrophobicContact CD2-CD1 3.78Å; L593-L611 HydrophobicContact CD2-CD2 3.88Å; L593-L611 HydrophobicContact CD2-CG 4.35Å; L593-Y615 HydrophobicContact CB-CE1 4.46Å; L593-F618 PolarHBondContact N-O 3.11Å; L593-M619 HydrophobicContact CB-CG 4.26Å; L593-M619 HydrophobicContact CD2-CE 3.81Å; L593-M619 HydrophobicContact CD2-CG 4.28Å; L593-M619 HydrophobicContact CD2-SD 4.32Å; L593-M619 CarbonylContact O-C 3.58Å; L593-M619 WeakPolarHBondContact O-CA 3.15Å; L593-L620 PolarHBondContact O-N 3.04Å; L593-A632 HydrophobicContact CD1-CB 4.21Å; L593-F634 HydrophobicContact CD1-CD1 3.52Å; L593-F634 HydrophobicContact CD1-CE1 3.34Å; L593-F634 HydrophobicContact CD1-CE2 4.39Å; L593-F634 HydrophobicContact CD1-CG 4.12Å; L593-F634 HydrophobicContact CD1-CZ 3.83Å; L593-F634 HydrophobicContact CD2-CE1 4.26Å; L593-F634 HydrophobicContact CG-CE1 4.4Å |
| 594 | F | 92.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.6 | 170.7 | -53.8 | -84.9 | 0 | 0 | 0 | 108.5 | I504 V545 L547 M592 F618 L620 V622 F625 A632 V633 V635 | I504-F594 HydrophobicContact CD1-CZ 3.73Å; V545-F594 HydrophobicContact CG1-CD2 4.04Å; V545-F594 HydrophobicContact CG1-CE2 4.21Å; V545-F594 HydrophobicContact CG2-CE2 4.44Å; L547-F594 HydrophobicContact CD1-CD1 3.48Å; L547-F594 VanDerWaalsContact CD1-CD1 3.48Å; L547-F594 HydrophobicContact CD1-CE1 3.59Å; L547-F594 HydrophobicContact CD1-CG 4.13Å; L547-F594 HydrophobicContact CD1-CZ 4.33Å; L547-F594 HydrophobicContact CD2-CB 4.28Å; L547-F594 HydrophobicContact CD2-CD1 4.38Å; L547-F594 HydrophobicContact CD2-CG 4.3Å; M592-F594 HydrophobicContact CB-CE2 3.92Å; M592-F594 HydrophobicContact CB-CZ 4.2Å; M592-F594 HydrophobicContact SD-CE2 4.44Å; M592-F594 HydrophobicContact SD-CZ 4.1Å; F594-F618 HydrophobicContact CE1-CD1 4.46Å; F594-F618 AromaticContact CE1-CE1 3.8Å; F594-F618 HydrophobicContact CE1-CE1 3.8Å; F594-F618 HydrophobicContact CZ-CE1 4.23Å; F594-L620 WeakPolarHBondContact CA-O 3.44Å; F594-L620 HydrophobicContact CD1-CB 3.9Å; F594-L620 HydrophobicContact CD1-CD2 3.96Å; F594-L620 HydrophobicContact CD1-CG 4.31Å; F594-L620 HydrophobicContact CE1-CB 4.25Å; F594-L620 HydrophobicContact CE1-CD2 3.93Å; F594-V622 HydrophobicContact CB-CG1 4.42Å; F594-V622 HydrophobicContact CD1-CG1 4.23Å; F594-F625 HydrophobicContact CB-CE1 3.76Å; F594-F625 HydrophobicContact CB-CZ 3.83Å; F594-F625 WeakPolarHBondContact O-CZ 3.47Å; F594-A632 CarbonylContact O-C 3.08Å; F594-A632 WeakPolarHBondContact O-CA 3.47Å; F594-A632 WeakPolarHBondContact O-CB 3.38Å; F594-V633 HydrophobicContact CB-CB 4.39Å; F594-V633 PolarHBondContact N-O 2.87Å; F594-V633 PolarHBondContact O-N 3.31Å; F594-V635 HydrophobicContact CD2-CG2 4.2Å; F594-V635 HydrophobicContact CE2-CG2 3.8Å |
| 595 | Y | 89.5 | Confident | 78 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 14% | 0.137 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 143.3 | 175.3 | 67.3 | -83.7 | 0 | 0 | 0 | 111.6 | Y597 V604 L607 M619 L620 P621 V622 | Y595-Y597 PolarHBondContact O-N 2.9Å; Y595-V604 HydrophobicContact CD2-CG2 4.39Å; Y595-V604 HydrophobicContact CE2-CG2 3.7Å; Y595-L607 HydrophobicContact CD1-CD1 4.19Å; Y595-L607 HydrophobicContact CD2-CD1 4.12Å; Y595-L607 HydrophobicContact CG-CD1 3.66Å; Y595-M619 HydrophobicContact CD1-CE 4.35Å; Y595-M619 HydrophobicContact CE1-CE 4.05Å; Y595-L620 PolarHBondContact N-O 2.98Å; Y595-P621 HydrophobicContact CE1-CB 4.13Å; Y595-P621 HydrophobicContact CE2-CB 3.82Å; Y595-P621 CarbonylContact O-C 3.41Å; Y595-P621 VanDerWaalsContact O-CA 3.31Å; Y595-P621 WeakPolarHBondContact O-CA 3.18Å; Y595-V622 WeakPolarHBondContact O-CG2 3.4Å; Y595-V622 PolarHBondContact O-N 2.86Å |
| 596 | R | 86.9 | Confident | 78.4 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 124.8 | 177.6 | -171.5 | 179.8 | 72.8 | -165.9 | 1.1 | 107.4 | D598 N603 V622 F625 P628 T631 | R596-D598 PolarHBondContact O-N 3.45Å; R596-N603 PolarHBondContact O-ND2 2.83Å; R596-V622 WeakPolarHBondContact CA-O 3.47Å; R596-F625 HydrophobicContact CB-CD2 4.22Å; R596-F625 HydrophobicContact CB-CE2 3.97Å; R596-P628 PolarHBondContact NH1-O 3.12Å; R596-T631 PolarHBondContact N-O 3.48Å |
| 597 | Y | 80.2 | Confident | 78.8 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 24% | 0.239 | 27% | 0.272 | C | S | . | . | trans | -59.7 | 134.9 | 172.1 | -176.8 | -95.6 | 0 | 0 | 0 | 109.3 | L366 Y595 V599 P621 V622 | L366-Y597 HydrophobicContact CB-CD1 4.21Å; L366-Y597 HydrophobicContact CB-CE1 4.01Å; Y595-Y597 PolarHBondContact O-N 2.9Å; Y597-V599 HydrophobicContact CE1-CG2 3.92Å; Y597-P621 HydrophobicContact CD2-CB 4.19Å; Y597-V622 PolarHBondContact N-O 2.97Å | ||
| 598 | D | 74.7 | Confident | 78.8 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | trans | -132.5 | 123.6 | 174 | 171.8 | 19.6 | 0 | 0 | 0 | 107.6 | R596 N600 Q601 L602 N603 | R596-D598 PolarHBondContact O-N 3.45Å; D598-N600 PolarHBondContact O-N 3.38Å; D598-N600 PolarHBondContact OD1-N 2.79Å; D598-Q601 WeakPolarHBondContact O-CA 3.48Å; D598-Q601 PolarHBondContact O-N 3.5Å; D598-L602 WeakPolarHBondContact OD2-CB 3.2Å; D598-L602 PolarHBondContact OD2-N 2.94Å; D598-N603 HydrophobicContact CB-CB 4.42Å | ||
| 599 | V | 65.5 | Low | 78.5 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -32.6 | 179.7 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | Y597 Q601 | Y597-V599 HydrophobicContact CE1-CG2 3.92Å; V599-Q601 PolarHBondContact O-N 2.92Å |
| 600 | N | 68.9 | Low | 78 | Confident | 124 Ų | 124 | 56 Ų | 56 | 66% | 0.663 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -1.7 | 176.9 | -62.4 | -55.2 | 0 | 0 | 0 | 113.5 | D598 L602 | D598-N600 PolarHBondContact O-N 3.38Å; D598-N600 PolarHBondContact OD1-N 2.79Å; N600-L602 PolarHBondContact O-N 3.05Å; N600-L602 VanDerWaalsContact O-N 3.1Å |
| 601 | Q | 68.1 | Low | 77.2 | Confident | 109 Ų | 109 | 56.7 Ų | 56.7 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | trans | 52.9 | 24.8 | -173.8 | -60.2 | -172.7 | -10.9 | 0 | 0 | 113.7 | D598 V599 N603 V604 R605 | D598-Q601 WeakPolarHBondContact O-CA 3.48Å; D598-Q601 PolarHBondContact O-N 3.5Å; V599-Q601 PolarHBondContact O-N 2.92Å; Q601-N603 VanDerWaalsContact C-N 3.34Å; Q601-N603 PolarHBondContact O-N 3.1Å; Q601-V604 HydrophobicContact CB-CB 4.28Å; Q601-V604 HydrophobicContact CB-CG2 4.46Å; Q601-V604 PolarHBondContact O-N 3.15Å; Q601-R605 WeakPolarHBondContact O-CG 3.02Å; Q601-R605 PolarHBondContact O-N 2.75Å | ||
| 602 | L | 67.5 | Low | 76 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | -178.4 | -159.6 | 88.8 | 0 | 0 | 0 | 110.2 | D598 N600 V604 R605 E606 | D598-L602 WeakPolarHBondContact OD2-CB 3.2Å; D598-L602 PolarHBondContact OD2-N 2.94Å; N600-L602 PolarHBondContact O-N 3.05Å; N600-L602 VanDerWaalsContact O-N 3.1Å; L602-V604 VanDerWaalsContact C-N 3.29Å; L602-V604 PolarHBondContact O-N 3.44Å; L602-R605 WeakPolarHBondContact O-CB 3.37Å; L602-R605 PolarHBondContact O-N 3.23Å; L602-R605 VanDerWaalsContact O-N 3.12Å; L602-E606 PolarHBondContact O-N 3.44Å |
| 603 | N | 71.9 | Confident | 74.6 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 175.6 | -71 | -16 | 0 | 0 | 0 | 111.9 | R596 D598 Q601 R605 E606 L607 | R596-N603 PolarHBondContact O-ND2 2.83Å; D598-N603 HydrophobicContact CB-CB 4.42Å; Q601-N603 VanDerWaalsContact C-N 3.34Å; Q601-N603 PolarHBondContact O-N 3.1Å; N603-R605 VanDerWaalsContact C-N 3.34Å; N603-E606 PolarHBondContact O-N 3.05Å; N603-L607 VanDerWaalsContact O-CB 3.23Å; N603-L607 WeakPolarHBondContact O-CB 3.43Å; N603-L607 WeakPolarHBondContact O-CD1 3.42Å; N603-L607 WeakPolarHBondContact O-CG 3.37Å; N603-L607 PolarHBondContact O-N 2.78Å |
| 604 | V | 69.8 | Low | 73.6 | Confident | 56 Ų | 56 | 76.2 Ų | 76.2 | 34% | 0.339 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | Y595 Q601 L602 L607 S608 | Y595-V604 HydrophobicContact CD2-CG2 4.39Å; Y595-V604 HydrophobicContact CE2-CG2 3.7Å; Q601-V604 HydrophobicContact CB-CB 4.28Å; Q601-V604 HydrophobicContact CB-CG2 4.46Å; Q601-V604 PolarHBondContact O-N 3.15Å; L602-V604 VanDerWaalsContact C-N 3.29Å; L602-V604 PolarHBondContact O-N 3.44Å; V604-L607 PolarHBondContact O-N 3Å; V604-S608 VanDerWaalsContact O-CB 3.32Å; V604-S608 WeakPolarHBondContact O-CB 3.13Å; V604-S608 PolarHBondContact O-N 2.88Å; V604-S608 PolarHBondContact O-OG 2.86Å |
| 605 | R | 71.2 | Confident | 73.1 | Confident | 155 Ų | 155 | 78.3 Ų | 78.3 | 59% | 0.585 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.9 | -48.3 | 175.4 | -68.7 | 175.9 | -176.9 | 176.3 | 3.4 | 111.6 | Q601 L602 N603 L607 S608 I609 | Q601-R605 WeakPolarHBondContact O-CG 3.02Å; Q601-R605 PolarHBondContact O-N 2.75Å; L602-R605 WeakPolarHBondContact O-CB 3.37Å; L602-R605 PolarHBondContact O-N 3.23Å; L602-R605 VanDerWaalsContact O-N 3.12Å; N603-R605 VanDerWaalsContact C-N 3.34Å; R605-L607 VanDerWaalsContact C-N 3.31Å; R605-L607 PolarHBondContact O-N 2.82Å; R605-S608 WeakPolarHBondContact CA-OG 3.32Å; R605-S608 PolarHBondContact O-N 2.97Å; R605-S608 PolarHBondContact O-OG 2.81Å; R605-I609 WeakPolarHBondContact O-CG1 3.49Å; R605-I609 PolarHBondContact O-N 3.42Å; R605-I609 VanDerWaalsContact O-N 3.14Å |
| 606 | E | 73.8 | Confident | 72.9 | Confident | 79 Ų | 79 | 77.3 Ų | 77.3 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 175.4 | -71 | -177.8 | 173.7 | 0 | 0 | 111.5 | L602 N603 I609 L610 | L602-E606 PolarHBondContact O-N 3.44Å; N603-E606 PolarHBondContact O-N 3.05Å; E606-I609 PolarHBondContact O-N 2.76Å; E606-L610 WeakPolarHBondContact O-CG 3.4Å; E606-L610 PolarHBondContact O-N 2.72Å |
| 607 | L | 76.5 | Confident | 72.9 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.3 | -74 | 168.5 | 0 | 0 | 0 | 111.8 | L593 Y595 N603 V604 R605 I609 L610 L611 A632 F634 | L593-L607 HydrophobicContact CD1-CD2 4.39Å; L593-L607 HydrophobicContact CD2-CD2 4.25Å; Y595-L607 HydrophobicContact CD1-CD1 4.19Å; Y595-L607 HydrophobicContact CD2-CD1 4.12Å; Y595-L607 HydrophobicContact CG-CD1 3.66Å; N603-L607 VanDerWaalsContact O-CB 3.23Å; N603-L607 WeakPolarHBondContact O-CB 3.43Å; N603-L607 WeakPolarHBondContact O-CD1 3.42Å; N603-L607 WeakPolarHBondContact O-CG 3.37Å; N603-L607 PolarHBondContact O-N 2.78Å; V604-L607 PolarHBondContact O-N 3Å; R605-L607 VanDerWaalsContact C-N 3.31Å; R605-L607 PolarHBondContact O-N 2.82Å; L607-I609 PolarHBondContact O-N 3.23Å; L607-L610 PolarHBondContact O-N 2.87Å; L607-L611 HydrophobicContact CB-CD1 3.93Å; L607-L611 WeakPolarHBondContact O-CB 3.38Å; L607-L611 WeakPolarHBondContact O-CG 3.1Å; L607-L611 PolarHBondContact O-N 2.88Å; L607-A632 HydrophobicContact CD1-CB 4.47Å; L607-A632 HydrophobicContact CD2-CB 4.13Å; L607-F634 HydrophobicContact CD2-CE1 4.27Å; L607-F634 HydrophobicContact CD2-CZ 3.79Å |
| 608 | S | 72.8 | Confident | 73.5 | Confident | 64 Ų | 64 | 71 Ų | 71 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -24.5 | 177.6 | 68 | 0 | 0 | 0 | 0 | 113.7 | V604 R605 | V604-S608 VanDerWaalsContact O-CB 3.32Å; V604-S608 WeakPolarHBondContact O-CB 3.13Å; V604-S608 PolarHBondContact O-N 2.88Å; V604-S608 PolarHBondContact O-OG 2.86Å; R605-S608 WeakPolarHBondContact CA-OG 3.32Å; R605-S608 PolarHBondContact O-N 2.97Å; R605-S608 PolarHBondContact O-OG 2.81Å |
| 609 | I | 72.1 | Confident | 74.3 | Confident | 143 Ų | 143 | 71.4 Ų | 71.4 | 73% | 0.733 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -77 | -33.2 | 174 | -66.9 | 164.1 | 0 | 0 | 0 | 110.6 | R605 E606 L607 | R605-I609 WeakPolarHBondContact O-CG1 3.49Å; R605-I609 PolarHBondContact O-N 3.42Å; R605-I609 VanDerWaalsContact O-N 3.14Å; E606-I609 PolarHBondContact O-N 2.76Å; L607-I609 PolarHBondContact O-N 3.23Å |
| 610 | L | 70.3 | Confident | 75.5 | Confident | 37 Ų | 37 | 67 Ų | 67 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -89.8 | -35.8 | -176.1 | -68.1 | 166.8 | 0 | 0 | 0 | 113.5 | L576 L580 I586 E606 L607 | L576-L610 HydrophobicContact CD1-CD1 3.31Å; L580-L610 HydrophobicContact CD2-CD1 4.02Å; L580-L610 HydrophobicContact CD2-CD2 3.87Å; I586-L610 HydrophobicContact CD1-CB 3.89Å; I586-L610 HydrophobicContact CG1-CB 4.37Å; E606-L610 WeakPolarHBondContact O-CG 3.4Å; E606-L610 PolarHBondContact O-N 2.72Å; L607-L610 PolarHBondContact O-N 2.87Å |
| 611 | L | 71.5 | Confident | 76.4 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -75 | 129 | 169.8 | -63.9 | 166.9 | 0 | 0 | 0 | 106.1 | I586 L593 L607 Y615 M619 | I586-L611 HydrophobicContact CD1-CB 4.46Å; I586-L611 HydrophobicContact CD1-CD2 3.31Å; I586-L611 HydrophobicContact CD1-CG 3.73Å; L593-L611 HydrophobicContact CD2-CD1 3.78Å; L593-L611 HydrophobicContact CD2-CD2 3.88Å; L593-L611 HydrophobicContact CD2-CG 4.35Å; L607-L611 HydrophobicContact CB-CD1 3.93Å; L607-L611 WeakPolarHBondContact O-CB 3.38Å; L607-L611 WeakPolarHBondContact O-CG 3.1Å; L607-L611 PolarHBondContact O-N 2.88Å; L611-Y615 HydrophobicContact CD2-CD1 4.43Å; L611-Y615 HydrophobicContact CD2-CD2 3.72Å; L611-Y615 HydrophobicContact CD2-CE2 4.42Å; L611-Y615 HydrophobicContact CD2-CG 3.73Å; L611-M619 HydrophobicContact CD1-CE 3.92Å; L611-M619 HydrophobicContact CD1-SD 4.25Å |
| 612 | N | 66.8 | Low | 77.4 | Confident | 124 Ų | 124 | 57.5 Ų | 57.5 | 66% | 0.663 | 30% | 0.297 | S | S | * | . | trans | -54.1 | 148 | 161.7 | -65.5 | -27 | 0 | 0 | 0 | 107.9 | N614 Y615 | N612-N614 PolarHBondContact O-N 3.31Å; N612-Y615 PolarHBondContact O-N 2.89Å; N612-Y615 VanDerWaalsContact O-N 3.11Å | ||
| 613 | D | 64.4 | Low | 78.3 | Confident | 159 Ų | 159 | 55.3 Ų | 55.3 | 85% | 0.85 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -14.3 | 178.6 | -67.9 | -35.1 | 0 | 0 | 0 | 114.3 | ||
| 614 | N | 70.8 | Confident | 79 | Confident | 128 Ų | 128 | 57.5 Ų | 57.5 | 68% | 0.684 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 45.3 | -177.6 | -54.3 | -41.2 | 0 | 0 | 0 | 112.8 | N612 T616 | N612-N614 PolarHBondContact O-N 3.31Å; N614-T616 WeakPolarHBondContact O-CG2 3.48Å; N614-T616 PolarHBondContact O-N 3.49Å |
| 615 | Y | 82.5 | Confident | 80 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | trans | -65.4 | 128.8 | 169.5 | -179.8 | -100 | 0 | 0 | 0 | 110.4 | T590 L593 L611 N612 M619 | T590-Y615 PolarHBondContact O-OH 2.71Å; L593-Y615 HydrophobicContact CB-CE1 4.46Å; L611-Y615 HydrophobicContact CD2-CD1 4.43Å; L611-Y615 HydrophobicContact CD2-CD2 3.72Å; L611-Y615 HydrophobicContact CD2-CE2 4.42Å; L611-Y615 HydrophobicContact CD2-CG 3.73Å; N612-Y615 PolarHBondContact O-N 2.89Å; N612-Y615 VanDerWaalsContact O-N 3.11Å; Y615-M619 HydrophobicContact CD1-CG 3.66Å; Y615-M619 HydrophobicContact CD1-SD 3.57Å; Y615-M619 VanDerWaalsContact CD1-SD 3.57Å; Y615-M619 HydrophobicContact CE1-CG 3.54Å; Y615-M619 HydrophobicContact CE1-SD 4.09Å | ||
| 616 | T | 85.6 | Confident | 80.7 | Confident | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | trans | -126.8 | 50.2 | -168 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | N254 N255 A257 R258 N614 | N254-T616 WeakPolarHBondContact O-CB 3.35Å; N254-T616 PolarHBondContact O-OG1 3.13Å; N255-T616 WeakPolarHBondContact O-CG2 3.33Å; A257-T616 CarbonylContact C-O 3.6Å; A257-T616 VanDerWaalsContact CA-O 3.24Å; A257-T616 WeakPolarHBondContact CA-O 3.46Å; A257-T616 PolarHBondContact N-O 3.27Å; R258-T616 VanDerWaalsContact CG-O 3.31Å; R258-T616 WeakPolarHBondContact CG-O 3.35Å; R258-T616 PolarHBondContact N-O 2.65Å; R258-T616 PolarHBondContact NE-OG1 2.92Å; R258-T616 VanDerWaalsContact NE-OG1 3.13Å; R258-T616 PolarHBondContact NH2-OG1 3.2Å; N614-T616 WeakPolarHBondContact O-CG2 3.48Å; N614-T616 PolarHBondContact O-N 3.49Å | ||
| 617 | G | 86.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -138.5 | -174.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S268 M619 | S268-G617 WeakPolarHBondContact CA-O 3.44Å; G617-M619 PolarHBondContact O-N 3.44Å |
| 618 | F | 92.8 | Very high | 81.6 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125 | 179 | 175.5 | -106 | 0 | 0 | 0 | 110.7 | V266 T267 N269 I309 V311 S383 F591 M592 L593 F594 L620 | V266-F618 HydrophobicContact CG1-CB 3.73Å; T267-F618 PolarHBondContact O-N 3.38Å; N269-F618 WeakPolarHBondContact ND2-CD2 3.15Å; N269-F618 WeakPolarHBondContact ND2-CE2 3.24Å; I309-F618 HydrophobicContact CB-CE2 4.2Å; I309-F618 HydrophobicContact CD1-CD2 4.48Å; I309-F618 HydrophobicContact CG2-CE1 4.43Å; I309-F618 HydrophobicContact CG2-CE2 3.66Å; I309-F618 HydrophobicContact CG2-CZ 3.57Å; V311-F618 HydrophobicContact CG2-CZ 4.49Å; S383-F618 WeakPolarHBondContact OG-CD2 3.47Å; F591-F618 PolarHBondContact O-N 2.88Å; F591-F618 VanDerWaalsContact O-N 3.09Å; M592-F618 CarbonylContact C-O 3.35Å; M592-F618 WeakPolarHBondContact CA-O 3.41Å; M592-F618 HydrophobicContact CB-CD1 4.21Å; M592-F618 HydrophobicContact CG-CB 4.04Å; M592-F618 HydrophobicContact CG-CD1 3.84Å; M592-F618 HydrophobicContact CG-CG 4.36Å; M592-F618 HydrophobicContact SD-CD1 4.47Å; L593-F618 PolarHBondContact N-O 3.11Å; F594-F618 HydrophobicContact CE1-CD1 4.46Å; F594-F618 AromaticContact CE1-CE1 3.8Å; F594-F618 HydrophobicContact CE1-CE1 3.8Å; F594-F618 HydrophobicContact CZ-CE1 4.23Å; F618-L620 HydrophobicContact CE1-CB 3.63Å; F618-L620 HydrophobicContact CE1-CD2 4.17Å; F618-L620 HydrophobicContact CE1-CG 4.49Å; F618-L620 HydrophobicContact CZ-CB 3.7Å; F618-L620 HydrophobicContact CZ-CD2 4.01Å; F618-L620 HydrophobicContact CZ-CG 4.29Å |
| 619 | M | 90.6 | Very high | 82.2 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 22% | 0.222 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137 | 172 | -66.9 | -172.9 | 58.8 | 0 | 0 | 110.4 | N269 L593 Y595 L611 Y615 G617 | N269-M619 PolarHBondContact ND2-O 2.8Å; N269-M619 VanDerWaalsContact ND2-O 3.13Å; N269-M619 PolarHBondContact OD1-N 2.56Å; N269-M619 PolarHBondContact OD1-O 2.87Å; N269-M619 VanDerWaalsContact OD1-O 3.08Å; L593-M619 HydrophobicContact CB-CG 4.26Å; L593-M619 HydrophobicContact CD2-CE 3.81Å; L593-M619 HydrophobicContact CD2-CG 4.28Å; L593-M619 HydrophobicContact CD2-SD 4.32Å; L593-M619 CarbonylContact O-C 3.58Å; L593-M619 WeakPolarHBondContact O-CA 3.15Å; Y595-M619 HydrophobicContact CD1-CE 4.35Å; Y595-M619 HydrophobicContact CE1-CE 4.05Å; L611-M619 HydrophobicContact CD1-CE 3.92Å; L611-M619 HydrophobicContact CD1-SD 4.25Å; Y615-M619 HydrophobicContact CD1-CG 3.66Å; Y615-M619 HydrophobicContact CD1-SD 3.57Å; Y615-M619 VanDerWaalsContact CD1-SD 3.57Å; Y615-M619 HydrophobicContact CE1-CG 3.54Å; Y615-M619 HydrophobicContact CE1-SD 4.09Å; G617-M619 PolarHBondContact O-N 3.44Å |
| 620 | L | 91 | Very high | 82.9 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 116.8 | 177.2 | -179.9 | 58.2 | 0 | 0 | 0 | 111.5 | V311 I361 V363 Y506 L593 F594 Y595 F618 V622 | V311-L620 HydrophobicContact CB-CD1 4.23Å; V311-L620 HydrophobicContact CG1-CD1 3.67Å; V311-L620 HydrophobicContact CG2-CD1 3.76Å; I361-L620 HydrophobicContact CD1-CD2 3.71Å; V363-L620 HydrophobicContact CG2-CD1 4.15Å; Y506-L620 HydrophobicContact CE1-CD2 4.46Å; L593-L620 PolarHBondContact O-N 3.04Å; F594-L620 WeakPolarHBondContact CA-O 3.44Å; F594-L620 HydrophobicContact CD1-CB 3.9Å; F594-L620 HydrophobicContact CD1-CD2 3.96Å; F594-L620 HydrophobicContact CD1-CG 4.31Å; F594-L620 HydrophobicContact CE1-CB 4.25Å; F594-L620 HydrophobicContact CE1-CD2 3.93Å; Y595-L620 PolarHBondContact N-O 2.98Å; F618-L620 HydrophobicContact CE1-CB 3.63Å; F618-L620 HydrophobicContact CE1-CD2 4.17Å; F618-L620 HydrophobicContact CE1-CG 4.49Å; F618-L620 HydrophobicContact CZ-CB 3.7Å; F618-L620 HydrophobicContact CZ-CD2 4.01Å; F618-L620 HydrophobicContact CZ-CG 4.29Å; L620-V622 HydrophobicContact CD2-CG1 4.08Å; L620-V622 HydrophobicContact CG-CG1 3.95Å |
| 621 | P | 87.5 | Confident | 83.7 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 136.8 | 160.3 | 26.1 | -31.6 | 0 | 0 | 0 | 109.4 | V363 Y595 Y597 | V363-P621 WeakPolarHBondContact CG1-O 3.39Å; Y595-P621 HydrophobicContact CE1-CB 4.13Å; Y595-P621 HydrophobicContact CE2-CB 3.82Å; Y595-P621 CarbonylContact O-C 3.41Å; Y595-P621 VanDerWaalsContact O-CA 3.31Å; Y595-P621 WeakPolarHBondContact O-CA 3.18Å; Y597-P621 HydrophobicContact CD2-CB 4.19Å |
| 622 | V | 88.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155.9 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | L547 F594 Y595 R596 Y597 L620 F625 | L547-V622 HydrophobicContact CB-CG1 4.4Å; L547-V622 HydrophobicContact CD1-CG1 4.03Å; L547-V622 HydrophobicContact CD2-CB 4.48Å; L547-V622 HydrophobicContact CD2-CG1 4.03Å; L547-V622 HydrophobicContact CD2-CG2 4.26Å; L547-V622 HydrophobicContact CG-CG1 4.37Å; F594-V622 HydrophobicContact CB-CG1 4.42Å; F594-V622 HydrophobicContact CD1-CG1 4.23Å; Y595-V622 WeakPolarHBondContact O-CG2 3.4Å; Y595-V622 PolarHBondContact O-N 2.86Å; R596-V622 WeakPolarHBondContact CA-O 3.47Å; Y597-V622 PolarHBondContact N-O 2.97Å; L620-V622 HydrophobicContact CD2-CG1 4.08Å; L620-V622 HydrophobicContact CG-CG1 3.95Å; V622-F625 HydrophobicContact CG2-CD1 4.37Å; V622-F625 HydrophobicContact CG2-CD2 4.36Å; V622-F625 HydrophobicContact CG2-CE1 3.88Å; V622-F625 HydrophobicContact CG2-CE2 3.89Å; V622-F625 HydrophobicContact CG2-CZ 3.62Å |
| 623 | V | 86.1 | Confident | 85.7 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 26% | 0.261 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -66 | -50.6 | -179 | -178.1 | 0 | 0 | 0 | 0 | 110 | L366 V548 | L366-V623 HydrophobicContact CD1-CG1 4.32Å; L366-V623 HydrophobicContact CD1-CG2 4.07Å; V548-V623 HydrophobicContact CB-CB 4.34Å; V548-V623 HydrophobicContact CG1-CB 4.14Å; V548-V623 HydrophobicContact CG1-CG1 4.35Å; V548-V623 VanDerWaalsContact O-CB 3.31Å; V548-V623 WeakPolarHBondContact O-CB 3.41Å; V548-V623 PolarHBondContact O-N 2.98Å |
| 624 | K | 88.4 | Confident | 86.9 | Confident | 54 Ų | 54 | 32 Ų | 32 | 24% | 0.235 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 151.6 | -176.9 | -162.9 | -171.6 | 160.4 | 176.5 | 0 | 110 | E510 V548 | E510-K624 VanDerWaalsContact CD-NZ 3.28Å; E510-K624 IonicContact OE1-NZ 2.64Å; E510-K624 PolarHBondContact OE1-NZ 3.18Å; E510-K624 IonicContact OE2-NZ 2.85Å; E510-K624 PolarHBondContact OE2-NZ 3.06Å; V548-K624 HydrophobicContact CB-CB 4.01Å; V548-K624 WeakPolarHBondContact CB-O 2.95Å; V548-K624 HydrophobicContact CG2-CB 4.13Å; V548-K624 PolarHBondContact N-O 3.01Å |
| 625 | F | 90.1 | Very high | 88 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 162.3 | 165 | -64 | -79.1 | 0 | 0 | 0 | 110.7 | L547 F594 R596 V622 D627 V630 V633 | L547-F625 HydrophobicContact CD2-CD1 3.56Å; L547-F625 HydrophobicContact CD2-CE1 3.43Å; L547-F625 VanDerWaalsContact CD2-CE1 3.43Å; F594-F625 HydrophobicContact CB-CE1 3.76Å; F594-F625 HydrophobicContact CB-CZ 3.83Å; F594-F625 WeakPolarHBondContact O-CZ 3.47Å; R596-F625 HydrophobicContact CB-CD2 4.22Å; R596-F625 HydrophobicContact CB-CE2 3.97Å; V622-F625 HydrophobicContact CG2-CD1 4.37Å; V622-F625 HydrophobicContact CG2-CD2 4.36Å; V622-F625 HydrophobicContact CG2-CE1 3.88Å; V622-F625 HydrophobicContact CG2-CE2 3.89Å; V622-F625 HydrophobicContact CG2-CZ 3.62Å; F625-D627 PolarHBondContact O-N 3.46Å; F625-V630 HydrophobicContact CB-CB 4.16Å; F625-V630 HydrophobicContact CB-CG1 4.29Å; F625-V630 HydrophobicContact CD1-CG1 4.43Å; F625-V630 HydrophobicContact CD2-CB 4.16Å; F625-V630 HydrophobicContact CD2-CG1 3.76Å; F625-V630 VanDerWaalsContact CD2-O 3.29Å; F625-V630 WeakPolarHBondContact CD2-O 3.49Å; F625-V630 HydrophobicContact CE2-CG1 4.14Å; F625-V630 HydrophobicContact CG-CB 4.27Å; F625-V630 HydrophobicContact CG-CG1 3.9Å; F625-V633 HydrophobicContact CD1-CG2 3.65Å; F625-V633 HydrophobicContact CE1-CB 3.81Å; F625-V633 HydrophobicContact CE1-CG2 3.37Å; F625-V633 HydrophobicContact CG-CG2 4.38Å; F625-V633 HydrophobicContact CZ-CB 4.21Å; F625-V633 HydrophobicContact CZ-CG2 3.9Å |
| 626 | A | 86.5 | Confident | 88.4 | Confident | 25 Ų | 25 | 24 Ų | 24 | 21% | 0.207 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -53.9 | -40.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L513 W546 P628 | L513-A626 HydrophobicContact CD1-CB 4.38Å; L513-A626 HydrophobicContact CD2-CB 3.59Å; W546-A626 HydrophobicContact CB-CB 3.69Å; W546-A626 HydrophobicContact CG-CB 4.34Å; W546-A626 PolarHBondContact O-N 3.29Å; A626-P628 WeakPolarHBondContact O-CD 3.46Å |
| 627 | D | 85.7 | Confident | 88.4 | Confident | 78 Ų | 78 | 24 Ų | 24 | 42% | 0.417 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -91.1 | 114.2 | 170 | -178.4 | -14 | 0 | 0 | 0 | 109.5 | F625 S629 V630 | F625-D627 PolarHBondContact O-N 3.46Å; D627-S629 PolarHBondContact O-N 2.95Å; D627-S629 VanDerWaalsContact O-N 3.14Å; D627-S629 VanDerWaalsContact OD1-CB 3.28Å; D627-S629 WeakPolarHBondContact OD1-CB 3.46Å; D627-S629 PolarHBondContact OD1-N 3.3Å; D627-S629 PolarHBondContact OD1-OG 2.96Å; D627-S629 PolarHBondContact OD2-OG 3.17Å; D627-S629 VanDerWaalsContact OD2-OG 3.1Å; D627-V630 HydrophobicContact CB-CB 4.42Å; D627-V630 HydrophobicContact CB-CG2 3.74Å; D627-V630 WeakPolarHBondContact O-CB 3.44Å; D627-V630 PolarHBondContact O-N 3.05Å; D627-V630 VanDerWaalsContact O-N 3.07Å |
| 628 | P | 83.6 | Confident | 88.2 | Confident | 72 Ų | 72 | 28.2 Ų | 28.2 | 47% | 0.468 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.1 | -179.6 | 24.5 | -32.7 | 0 | 0 | 0 | 113.9 | R596 A626 V630 | R596-P628 PolarHBondContact NH1-O 3.12Å; A626-P628 WeakPolarHBondContact O-CD 3.46Å; P628-V630 VanDerWaalsContact C-N 3.32Å |
| 629 | S | 85.1 | Confident | 87.2 | Confident | 69 Ų | 69 | 32.5 Ų | 32.5 | 48% | 0.483 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -15.3 | 177.2 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | N577 D627 | N577-S629 PolarHBondContact ND2-O 3.27Å; D627-S629 PolarHBondContact O-N 2.95Å; D627-S629 VanDerWaalsContact O-N 3.14Å; D627-S629 VanDerWaalsContact OD1-CB 3.28Å; D627-S629 WeakPolarHBondContact OD1-CB 3.46Å; D627-S629 PolarHBondContact OD1-N 3.3Å; D627-S629 PolarHBondContact OD1-OG 2.96Å; D627-S629 PolarHBondContact OD2-OG 3.17Å; D627-S629 VanDerWaalsContact OD2-OG 3.1Å |
| 630 | V | 87.4 | Confident | 85.9 | Confident | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | trans | -79.9 | 126.2 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | F625 D627 P628 A632 V633 | F625-V630 HydrophobicContact CB-CB 4.16Å; F625-V630 HydrophobicContact CB-CG1 4.29Å; F625-V630 HydrophobicContact CD1-CG1 4.43Å; F625-V630 HydrophobicContact CD2-CB 4.16Å; F625-V630 HydrophobicContact CD2-CG1 3.76Å; F625-V630 VanDerWaalsContact CD2-O 3.29Å; F625-V630 WeakPolarHBondContact CD2-O 3.49Å; F625-V630 HydrophobicContact CE2-CG1 4.14Å; F625-V630 HydrophobicContact CG-CB 4.27Å; F625-V630 HydrophobicContact CG-CG1 3.9Å; D627-V630 HydrophobicContact CB-CB 4.42Å; D627-V630 HydrophobicContact CB-CG2 3.74Å; D627-V630 WeakPolarHBondContact O-CB 3.44Å; D627-V630 PolarHBondContact O-N 3.05Å; D627-V630 VanDerWaalsContact O-N 3.07Å; P628-V630 VanDerWaalsContact C-N 3.32Å; V630-A632 WeakPolarHBondContact CG1-O 3.27Å; V630-V633 HydrophobicContact CG1-CG2 3.67Å | ||
| 631 | T | 86.2 | Confident | 85.6 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | trans | -101.3 | -30.2 | 178.6 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | L576 R596 | L576-T631 WeakPolarHBondContact CD2-OG1 3.37Å; R596-T631 PolarHBondContact N-O 3.48Å | ||
| 632 | A | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 154.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S575 L576 L593 F594 L607 V630 F634 | S575-A632 CarbonylContact C-O 3.47Å; S575-A632 WeakPolarHBondContact CA-O 3.37Å; L576-A632 HydrophobicContact CB-CB 4.08Å; L576-A632 PolarHBondContact N-O 2.95Å; L593-A632 HydrophobicContact CD1-CB 4.21Å; F594-A632 CarbonylContact O-C 3.08Å; F594-A632 WeakPolarHBondContact O-CA 3.47Å; F594-A632 WeakPolarHBondContact O-CB 3.38Å; L607-A632 HydrophobicContact CD1-CB 4.47Å; L607-A632 HydrophobicContact CD2-CB 4.13Å; V630-A632 WeakPolarHBondContact CG1-O 3.27Å; A632-F634 HydrophobicContact CB-CE2 4.17Å; A632-F634 HydrophobicContact CB-CZ 4.35Å |
| 633 | V | 91.1 | Very high | 85.4 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.8 | 176 | 174.2 | 0 | 0 | 0 | 0 | 108.8 | V545 I573 T574 F594 F625 V630 V635 | V545-V633 HydrophobicContact CG1-CG1 4.25Å; V545-V633 HydrophobicContact CG2-CG1 4.43Å; I573-V633 HydrophobicContact CG2-CG1 3.46Å; I573-V633 VanDerWaalsContact CG2-CG1 3.46Å; T574-V633 CarbonylContact O-C 3.5Å; T574-V633 WeakPolarHBondContact O-CA 3.43Å; F594-V633 HydrophobicContact CB-CB 4.39Å; F594-V633 PolarHBondContact N-O 2.87Å; F594-V633 PolarHBondContact O-N 3.31Å; F625-V633 HydrophobicContact CD1-CG2 3.65Å; F625-V633 HydrophobicContact CE1-CB 3.81Å; F625-V633 HydrophobicContact CE1-CG2 3.37Å; F625-V633 HydrophobicContact CG-CG2 4.38Å; F625-V633 HydrophobicContact CZ-CB 4.21Å; F625-V633 HydrophobicContact CZ-CG2 3.9Å; V630-V633 HydrophobicContact CG1-CG2 3.67Å; V633-V635 HydrophobicContact CG1-CG2 4.44Å |
| 634 | F | 90.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.9 | 175.7 | -57 | -92 | 0 | 0 | 0 | 108.7 | I573 T574 L576 V579 I586 T590 L593 L607 A632 | I573-F634 WeakPolarHBondContact CA-O 3.35Å; T574-F634 PolarHBondContact N-O 2.92Å; T574-F634 PolarHBondContact O-N 2.7Å; L576-F634 HydrophobicContact CB-CE2 3.94Å; L576-F634 HydrophobicContact CD1-CE2 3.99Å; L576-F634 HydrophobicContact CD1-CZ 4.02Å; V579-F634 HydrophobicContact CG2-CD2 3.91Å; V579-F634 HydrophobicContact CG2-CE2 4.16Å; I586-F634 HydrophobicContact CD1-CD1 4.3Å; I586-F634 HydrophobicContact CD1-CE1 3.46Å; I586-F634 VanDerWaalsContact CD1-CE1 3.46Å; I586-F634 HydrophobicContact CD1-CZ 4.11Å; I586-F634 HydrophobicContact CG1-CD1 4.23Å; I586-F634 HydrophobicContact CG1-CE1 3.7Å; I586-F634 HydrophobicContact CG1-CZ 4.25Å; I586-F634 HydrophobicContact CG2-CD1 3.89Å; I586-F634 HydrophobicContact CG2-CE1 4.15Å; T590-F634 HydrophobicContact CG2-CB 4.13Å; T590-F634 HydrophobicContact CG2-CD1 4.16Å; L593-F634 HydrophobicContact CD1-CD1 3.52Å; L593-F634 HydrophobicContact CD1-CE1 3.34Å; L593-F634 HydrophobicContact CD1-CE2 4.39Å; L593-F634 HydrophobicContact CD1-CG 4.12Å; L593-F634 HydrophobicContact CD1-CZ 3.83Å; L593-F634 HydrophobicContact CD2-CE1 4.26Å; L593-F634 HydrophobicContact CG-CE1 4.4Å; L607-F634 HydrophobicContact CD2-CE1 4.27Å; L607-F634 HydrophobicContact CD2-CZ 3.79Å; A632-F634 HydrophobicContact CB-CE2 4.17Å; A632-F634 HydrophobicContact CB-CZ 4.35Å |
| 635 | V | 92.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 116.6 | 174.1 | -168.6 | 0 | 0 | 0 | 0 | 108.7 | L502 V545 L571 T590 F591 M592 F594 V633 | L502-V635 HydrophobicContact CD1-CG1 4.27Å; L502-V635 HydrophobicContact CD2-CG1 4.43Å; V545-V635 HydrophobicContact CG2-CG2 4.06Å; L571-V635 HydrophobicContact CD1-CG1 3.48Å; L571-V635 VanDerWaalsContact CD1-CG1 3.48Å; L571-V635 HydrophobicContact CD2-CG1 3.93Å; L571-V635 HydrophobicContact CG-CG1 3.78Å; T590-V635 WeakPolarHBondContact CA-O 3.37Å; F591-V635 VanDerWaalsContact CD1-O 3.32Å; F591-V635 WeakPolarHBondContact CD1-O 3.38Å; F591-V635 HydrophobicContact CE1-CB 4.28Å; F591-V635 HydrophobicContact CE1-CG1 3.68Å; F591-V635 HydrophobicContact CE2-CG1 4.24Å; F591-V635 HydrophobicContact CZ-CB 4.14Å; F591-V635 HydrophobicContact CZ-CG1 3.4Å; F591-V635 PolarHBondContact N-O 3.44Å; M592-V635 HydrophobicContact CB-CB 4.07Å; M592-V635 HydrophobicContact CB-CG2 4.23Å; M592-V635 PolarHBondContact N-O 3.18Å; M592-V635 PolarHBondContact O-N 3.1Å; F594-V635 HydrophobicContact CD2-CG2 4.2Å; F594-V635 HydrophobicContact CE2-CG2 3.8Å; V633-V635 HydrophobicContact CG1-CG2 4.44Å |
| 636 | S | 90 | Very high | 84.8 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.2 | -175.4 | -42.8 | 0 | 0 | 0 | 0 | 110.9 | V572 N589 T590 | V572-S636 PolarHBondContact N-O 3.42Å; V572-S636 PolarHBondContact O-N 2.99Å; N589-S636 WeakPolarHBondContact O-CA 3.43Å; T590-S636 PolarHBondContact OG1-OG 3Å |
| 637 | V | 87.3 | Confident | 84.7 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.8 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | L260 F501 L569 N589 F591 | L260-V637 HydrophobicContact CD1-CG2 3.88Å; L260-V637 HydrophobicContact CG-CG2 4.44Å; F501-V637 HydrophobicContact CZ-CG1 4.33Å; F501-V637 HydrophobicContact CZ-CG2 3.86Å; L569-V637 HydrophobicContact CD2-CG1 4.19Å; N589-V637 WeakPolarHBondContact CB-O 3.21Å; N589-V637 PolarHBondContact ND2-O 3.4Å; N589-V637 PolarHBondContact O-N 3.32Å; F591-V637 HydrophobicContact CD1-CG2 3.56Å; F591-V637 HydrophobicContact CE1-CG2 3.32Å; F591-V637 HydrophobicContact CZ-CG2 4.26Å |
| 638 | Q | 81.9 | Confident | 84.6 | Confident | 91 Ų | 91 | 44.2 Ų | 44.2 | 43% | 0.425 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149.7 | 170.9 | -65.3 | -176.8 | -9.8 | 0 | 0 | 109.8 | S570 V572 | S570-Q638 PolarHBondContact N-O 3.2Å; S570-Q638 PolarHBondContact O-N 3.34Å; S570-Q638 VanDerWaalsContact O-O 3.05Å; S570-Q638 PolarHBondContact OG-O 2.94Å; V572-Q638 VanDerWaalsContact CG2-CD 3.45Å; V572-Q638 HydrophobicContact CG2-CG 4Å |
| 639 | S | 71.6 | Confident | 84.7 | Confident | 92 Ų | 92 | 41.9 Ų | 41.9 | 64% | 0.643 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 140.8 | 161.7 | 96.8 | 0 | 0 | 0 | 0 | 107.9 | ||
| 640 | K | 62.9 | Low | 84.6 | Confident | 182 Ų | 182 | 39.5 Ų | 39.5 | 79% | 0.791 | 21% | 0.207 | S | C | * | . | trans | -70.7 | 0 | 165.5 | -74.8 | -172.8 | -169.8 | 156.8 | 0 | 111.7 | S567 S568 L569 S570 | S567-K640 VanDerWaalsContact O-CD 3.31Å; S567-K640 WeakPolarHBondContact O-CD 3.49Å; S567-K640 WeakPolarHBondContact O-CE 3.25Å; S567-K640 PolarHBondContact O-NZ 2.89Å; S568-K640 WeakPolarHBondContact O-CB 3.48Å; S568-K640 PolarHBondContact O-N 3.47Å; S568-K640 VanDerWaalsContact O-N 3.11Å; L569-K640 VanDerWaalsContact O-CE 3.24Å; L569-K640 WeakPolarHBondContact O-CE 3.35Å; L569-K640 PolarHBondContact O-NZ 2.83Å; S570-K640 VanDerWaalsContact CB-CG 3.48Å |
Retrieved 640 of 640 residues in 231.2 ms
(Link to these results)