| 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 | 64.5 | Low | 80 | Confident | 115 Ų | 115 | 82.8 Ų | 82.8 | 57% | 0.567 | 42% | 0.419 | S | S | * | . | 0 | 142.3 | 0 | -173 | -179.4 | -177.8 | 0 | 0 | 111.1 | D3 T94 | M1-D3 HydrophobicContact CE-CB 4.43Å; M1-D3 HydrophobicContact CG-CB 4.44Å; M1-D3 HydrophobicContact SD-CB 4.25Å; M1-T94 HydrophobicContact CB-CG2 3.98Å; M1-T94 HydrophobicContact CG-CG2 3.87Å; M1-T94 HydrophobicContact SD-CG2 3.67Å | |||
| 2 | I | 69.5 | Low | 80.6 | Confident | 20 Ų | 20 | 76.8 Ų | 76.8 | 10% | 0.103 | 39% | 0.389 | C | S | . | . | trans | -87.9 | 94.4 | 163.2 | -61.8 | 172.9 | 0 | 0 | 0 | 106.8 | V70 C71 F187 V195 | I2-V70 HydrophobicContact CB-CG1 4.4Å; I2-V70 HydrophobicContact CG2-CG1 3.62Å; I2-C71 PolarHBondContact O-SG 2.89Å; I2-F187 HydrophobicContact CG2-CD1 4.19Å; I2-F187 HydrophobicContact CG2-CE1 3.51Å; I2-F187 HydrophobicContact CG2-CE2 4.34Å; I2-F187 HydrophobicContact CG2-CZ 3.6Å; I2-V195 HydrophobicContact CG2-CG1 4.12Å | ||
| 3 | D | 71.8 | Confident | 81.3 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | trans | -98.4 | 118.2 | 176.2 | -168.7 | 20.6 | 0 | 0 | 0 | 110.7 | M1 K67 | M1-D3 HydrophobicContact CE-CB 4.43Å; M1-D3 HydrophobicContact CG-CB 4.44Å; M1-D3 HydrophobicContact SD-CB 4.25Å; D3-K67 IonicContact OD1-NZ 2.69Å; D3-K67 PolarHBondContact OD1-NZ 2.87Å | ||
| 4 | I | 72 | Confident | 81.9 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 10% | 0.097 | 39% | 0.393 | C | S | . | . | trans | -89.3 | 109.1 | 172.8 | -57.4 | -177.1 | 0 | 0 | 0 | 107.3 | L6 K67 V70 M199 | I4-L6 PolarHBondContact O-N 3.26Å; I4-L6 VanDerWaalsContact O-N 3.14Å; I4-K67 HydrophobicContact CB-CG 4.38Å; I4-K67 WeakPolarHBondContact O-CD 3.32Å; I4-K67 PolarHBondContact O-NZ 3.34Å; I4-V70 HydrophobicContact CD1-CB 3.83Å; I4-V70 HydrophobicContact CD1-CG1 3.88Å; I4-V70 HydrophobicContact CD1-CG2 3.96Å; I4-V70 HydrophobicContact CG1-CG1 4.47Å; I4-M199 HydrophobicContact CB-SD 4.34Å; I4-M199 HydrophobicContact CD1-CG 4.46Å; I4-M199 HydrophobicContact CD1-SD 3.54Å; I4-M199 VanDerWaalsContact CD1-SD 3.54Å; I4-M199 HydrophobicContact CG1-SD 3.58Å; I4-M199 VanDerWaalsContact CG1-SD 3.58Å; I4-M199 HydrophobicContact CG2-SD 3.97Å | ||
| 5 | I | 77.7 | Confident | 82.1 | Confident | 146 Ų | 146 | 77.9 Ų | 77.9 | 75% | 0.749 | 40% | 0.401 | S | S | * | . | trans | -70.2 | 109.3 | 173.7 | -58 | 171.5 | 0 | 0 | 0 | 107.5 | ||||
| 6 | L | 80.6 | Confident | 82.2 | Confident | 51 Ų | 51 | 73.6 Ų | 73.6 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 137.5 | 173.3 | -68.2 | 169.1 | 0 | 0 | 0 | 108.9 | I4 E63 R64 K67 | I4-L6 PolarHBondContact O-N 3.26Å; I4-L6 VanDerWaalsContact O-N 3.14Å; L6-E63 HydrophobicContact CD2-CB 3.83Å; L6-R64 HydrophobicContact CD1-CG 4.18Å; L6-R64 HydrophobicContact CD2-CG 4.34Å; L6-K67 HydrophobicContact CD1-CD 3.98Å; L6-K67 HydrophobicContact CD2-CB 4.27Å; L6-K67 HydrophobicContact CD2-CD 4.23Å; L6-K67 HydrophobicContact CG-CD 3.88Å |
| 7 | T | 83.7 | Confident | 82.4 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 25% | 0.245 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 132.3 | 175 | 58.6 | 0 | 0 | 0 | 0 | 109.1 | I9 L12 E63 | T7-I9 PolarHBondContact O-N 3.35Å; T7-L12 WeakPolarHBondContact OG1-CD1 3.4Å; T7-L12 WeakPolarHBondContact OG1-CD2 3.47Å; T7-L12 WeakPolarHBondContact OG1-CG 3.4Å; T7-E63 PolarHBondContact N-OE2 3.37Å; T7-E63 VanDerWaalsContact N-OE2 3.09Å; T7-E63 VanDerWaalsContact OG1-CD 3.27Å; T7-E63 PolarHBondContact OG1-OE1 3.39Å; T7-E63 VanDerWaalsContact OG1-OE1 3.1Å; T7-E63 PolarHBondContact OG1-OE2 3.03Å |
| 8 | P | 90 | Very high | 82.6 | Confident | 75 Ų | 75 | 75.4 Ų | 75.4 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 140.2 | 179.2 | 24.5 | -31 | 0 | 0 | 0 | 109.2 | I10 R11 L12 | P8-I10 PolarHBondContact O-N 3.47Å; P8-I10 VanDerWaalsContact O-N 3.09Å; P8-R11 HydrophobicContact CG-CB 3.82Å; P8-R11 WeakPolarHBondContact O-CA 3.24Å; P8-R11 WeakPolarHBondContact O-CB 3.44Å; P8-R11 PolarHBondContact O-N 3.05Å; P8-L12 PolarHBondContact O-N 2.83Å; P8-L12 VanDerWaalsContact O-N 3.14Å |
| 9 | I | 90 | Very high | 82.6 | Confident | 87 Ų | 87 | 74 Ų | 74 | 45% | 0.446 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -53.5 | -37.9 | -175.9 | -62 | 171.8 | 0 | 0 | 0 | 111.1 | T7 R11 L12 V13 V56 | T7-I9 PolarHBondContact O-N 3.35Å; I9-R11 VanDerWaalsContact C-N 3.3Å; I9-R11 PolarHBondContact O-N 3.25Å; I9-L12 WeakPolarHBondContact O-CB 3.28Å; I9-L12 PolarHBondContact O-N 3.31Å; I9-L12 VanDerWaalsContact O-N 3.15Å; I9-V13 HydrophobicContact CG2-CG2 4.27Å; I9-V13 WeakPolarHBondContact O-CG2 3.41Å; I9-V13 PolarHBondContact O-N 3.12Å; I9-V56 HydrophobicContact CG2-CG1 4.13Å |
| 10 | I | 90.2 | Very high | 82.4 | Confident | 131 Ų | 131 | 74.8 Ų | 74.8 | 67% | 0.672 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.1 | -42.4 | 177.2 | -62.3 | 164 | 0 | 0 | 0 | 111.3 | P8 V13 L14 | P8-I10 PolarHBondContact O-N 3.47Å; P8-I10 VanDerWaalsContact O-N 3.09Å; I10-V13 PolarHBondContact O-N 3.47Å; I10-L14 HydrophobicContact CG2-CD1 4.09Å; I10-L14 WeakPolarHBondContact O-CB 3.49Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.35Å; I10-L14 PolarHBondContact O-N 3.31Å |
| 11 | R | 90.4 | Very high | 82.1 | Confident | 153 Ų | 153 | 73.1 Ų | 73.1 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.3 | -36.4 | 178.1 | -170.7 | 176.8 | -173.1 | 179.3 | 1.5 | 111.7 | P8 I9 L14 N15 | P8-R11 HydrophobicContact CG-CB 3.82Å; P8-R11 WeakPolarHBondContact O-CA 3.24Å; P8-R11 WeakPolarHBondContact O-CB 3.44Å; P8-R11 PolarHBondContact O-N 3.05Å; I9-R11 VanDerWaalsContact C-N 3.3Å; I9-R11 PolarHBondContact O-N 3.25Å; R11-L14 PolarHBondContact O-N 3.23Å; R11-N15 VanDerWaalsContact O-CB 3.3Å; R11-N15 WeakPolarHBondContact O-CB 3.38Å; R11-N15 PolarHBondContact O-N 3.49Å; R11-N15 PolarHBondContact O-ND2 3.42Å |
| 12 | L | 86.8 | Confident | 83 | Confident | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 173 | -70.7 | 178.8 | 0 | 0 | 0 | 111.7 | T7 P8 I9 N15 G16 V56 L59 H60 | T7-L12 WeakPolarHBondContact OG1-CD1 3.4Å; T7-L12 WeakPolarHBondContact OG1-CD2 3.47Å; T7-L12 WeakPolarHBondContact OG1-CG 3.4Å; P8-L12 PolarHBondContact O-N 2.83Å; P8-L12 VanDerWaalsContact O-N 3.14Å; I9-L12 WeakPolarHBondContact O-CB 3.28Å; I9-L12 PolarHBondContact O-N 3.31Å; I9-L12 VanDerWaalsContact O-N 3.15Å; L12-N15 PolarHBondContact O-N 3.44Å; L12-G16 PolarHBondContact O-N 3.43Å; L12-V56 HydrophobicContact CB-CG1 4.05Å; L12-L59 HydrophobicContact CD2-CD2 3.54Å; L12-L59 HydrophobicContact CD2-CG 4.19Å; L12-H60 HydrophobicContact CD1-CB 4.06Å |
| 13 | V | 89.3 | Confident | 83.8 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 33% | 0.333 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | I9 I10 N15 G16 C17 L52 V56 | I9-V13 HydrophobicContact CG2-CG2 4.27Å; I9-V13 WeakPolarHBondContact O-CG2 3.41Å; I9-V13 PolarHBondContact O-N 3.12Å; I10-V13 PolarHBondContact O-N 3.47Å; V13-N15 PolarHBondContact O-N 2.93Å; V13-G16 PolarHBondContact O-N 3.11Å; V13-G16 VanDerWaalsContact O-N 3.15Å; V13-C17 PolarHBondContact O-N 3.24Å; V13-C17 PolarHBondContact O-SG 2.99Å; V13-C17 VanDerWaalsContact O-SG 3.33Å; V13-L52 HydrophobicContact CG1-CD2 4.46Å; V13-V56 HydrophobicContact CG2-CG1 4.02Å; V13-V56 HydrophobicContact CG2-CG2 4.06Å |
| 14 | L | 89.8 | Confident | 84.3 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 178.2 | -73 | 170.5 | 0 | 0 | 0 | 112.1 | I10 R11 G16 C17 L18 | I10-L14 HydrophobicContact CG2-CD1 4.09Å; I10-L14 WeakPolarHBondContact O-CB 3.49Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.35Å; I10-L14 PolarHBondContact O-N 3.31Å; R11-L14 PolarHBondContact O-N 3.23Å; L14-G16 VanDerWaalsContact C-N 3.32Å; L14-G16 PolarHBondContact O-N 2.51Å; L14-C17 PolarHBondContact O-N 3.1Å; L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 3.2Å |
| 15 | N | 85.9 | Confident | 85 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 176.6 | -74.2 | -11.1 | 0 | 0 | 0 | 112 | R11 L12 V13 | R11-N15 VanDerWaalsContact O-CB 3.3Å; R11-N15 WeakPolarHBondContact O-CB 3.38Å; R11-N15 PolarHBondContact O-N 3.49Å; R11-N15 PolarHBondContact O-ND2 3.42Å; L12-N15 PolarHBondContact O-N 3.44Å; V13-N15 PolarHBondContact O-N 2.93Å |
| 16 | G | 83.2 | Confident | 85.4 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 V13 L14 L18 T19 H22 | L12-G16 PolarHBondContact O-N 3.43Å; V13-G16 PolarHBondContact O-N 3.11Å; V13-G16 VanDerWaalsContact O-N 3.15Å; L14-G16 VanDerWaalsContact C-N 3.32Å; L14-G16 PolarHBondContact O-N 2.51Å; G16-L18 VanDerWaalsContact C-N 3.3Å; G16-L18 PolarHBondContact O-N 2.96Å; G16-T19 WeakPolarHBondContact O-CB 3.33Å; G16-T19 WeakPolarHBondContact O-CG2 3.4Å; G16-T19 PolarHBondContact O-N 3.39Å; G16-T19 PolarHBondContact O-OG1 2.97Å; G16-H22 PolarHBondContact O-ND1 3.34Å |
| 17 | C | 85.8 | Confident | 85.8 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 37% | 0.365 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 177.1 | -69.7 | 0 | 0 | 0 | 0 | 113.2 | V13 L14 T19 H22 L52 | V13-C17 PolarHBondContact O-N 3.24Å; V13-C17 PolarHBondContact O-SG 2.99Å; V13-C17 VanDerWaalsContact O-SG 3.33Å; L14-C17 PolarHBondContact O-N 3.1Å; C17-T19 PolarHBondContact O-N 3.48Å; C17-H22 WeakPolarHBondContact O-CB 3.39Å; C17-L52 WeakPolarHBondContact SG-CD2 3.5Å |
| 18 | L | 86.2 | Confident | 86 | Confident | 126 Ų | 126 | 66.7 Ų | 66.7 | 66% | 0.66 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 6.5 | -178.6 | -67.3 | 172.5 | 0 | 0 | 0 | 113.7 | L14 G16 | L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 3.2Å; G16-L18 VanDerWaalsContact C-N 3.3Å; G16-L18 PolarHBondContact O-N 2.96Å |
| 19 | T | 81.6 | Confident | 85.9 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -66.9 | 142 | 170.5 | 56.5 | 0 | 0 | 0 | 0 | 110.1 | G16 C17 F21 H22 C23 | G16-T19 WeakPolarHBondContact O-CB 3.33Å; G16-T19 WeakPolarHBondContact O-CG2 3.4Å; G16-T19 PolarHBondContact O-N 3.39Å; G16-T19 PolarHBondContact O-OG1 2.97Å; C17-T19 PolarHBondContact O-N 3.48Å; T19-F21 PolarHBondContact O-N 3.44Å; T19-H22 PolarHBondContact O-N 3.35Å; T19-H22 PolarHBondContact OG1-ND1 3.17Å; T19-C23 PolarHBondContact O-N 3.34Å; T19-C23 PolarHBondContact O-SG 3.03Å |
| 20 | P | 79.4 | Confident | 86 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 58% | 0.584 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -52.9 | -30.1 | -177.1 | -28.4 | 34.2 | 0 | 0 | 0 | 114 | F24 | P20-F24 VanDerWaalsContact O-CB 3.29Å; P20-F24 WeakPolarHBondContact O-CB 3.45Å; P20-F24 PolarHBondContact O-N 3.01Å |
| 21 | F | 76.6 | Confident | 85.9 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.6 | -46.9 | 179.3 | -179.2 | -107.1 | 0 | 0 | 0 | 113.4 | T19 C23 F24 Q25 P258 P261 V262 | T19-F21 PolarHBondContact O-N 3.44Å; F21-C23 VanDerWaalsContact C-N 3.34Å; F21-F24 WeakPolarHBondContact O-CB 3.39Å; F21-F24 PolarHBondContact O-N 3.39Å; F21-Q25 HydrophobicContact CE1-CG 4.39Å; F21-Q25 WeakPolarHBondContact O-CG 3.3Å; F21-Q25 PolarHBondContact O-N 3.01Å; F21-P258 VanDerWaalsContact CE2-C 3.49Å; F21-P258 VanDerWaalsContact CE2-O 3.29Å; F21-P258 WeakPolarHBondContact CE2-O 3.5Å; F21-P258 WeakPolarHBondContact CZ-O 3.47Å; F21-P261 HydrophobicContact CD1-CG 4.38Å; F21-P261 HydrophobicContact CD2-CG 3.49Å; F21-P261 VanDerWaalsContact CD2-CG 3.49Å; F21-P261 HydrophobicContact CE1-CG 4.35Å; F21-P261 HydrophobicContact CE2-CG 3.5Å; F21-P261 HydrophobicContact CG-CG 3.9Å; F21-P261 HydrophobicContact CZ-CG 3.87Å; F21-V262 HydrophobicContact CE1-CG2 4.24Å |
| 22 | H | 82.5 | Confident | 86 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 176.1 | -72.2 | 96.2 | 0 | 0 | 0 | 110.9 | G16 C17 T19 F24 Q25 V26 | G16-H22 PolarHBondContact O-ND1 3.34Å; C17-H22 WeakPolarHBondContact O-CB 3.39Å; T19-H22 PolarHBondContact O-N 3.35Å; T19-H22 PolarHBondContact OG1-ND1 3.17Å; H22-F24 VanDerWaalsContact C-N 3.28Å; H22-F24 PolarHBondContact O-N 3.34Å; H22-Q25 PolarHBondContact CD2-OE1 2.86Å; H22-Q25 PolarHBondContact O-N 3.33Å; H22-V26 WeakPolarHBondContact O-CG2 3.46Å; H22-V26 PolarHBondContact O-N 3.41Å |
| 23 | C | 85.5 | Confident | 86.2 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 42% | 0.419 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -43 | 170.4 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | T19 F21 V26 F27 | T19-C23 PolarHBondContact O-N 3.34Å; T19-C23 PolarHBondContact O-SG 3.03Å; F21-C23 VanDerWaalsContact C-N 3.34Å; C23-V26 PolarHBondContact O-N 3.12Å; C23-F27 PolarHBondContact O-N 3.26Å |
| 24 | F | 83.3 | Confident | 86.2 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 20% | 0.202 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 176.5 | -174.5 | -110.1 | 0 | 0 | 0 | 112.6 | P20 F21 H22 F27 I28 I256 | P20-F24 VanDerWaalsContact O-CB 3.29Å; P20-F24 WeakPolarHBondContact O-CB 3.45Å; P20-F24 PolarHBondContact O-N 3.01Å; F21-F24 WeakPolarHBondContact O-CB 3.39Å; F21-F24 PolarHBondContact O-N 3.39Å; H22-F24 VanDerWaalsContact C-N 3.28Å; H22-F24 PolarHBondContact O-N 3.34Å; F24-F27 HydrophobicContact CD2-CD1 4.22Å; F24-F27 HydrophobicContact CE2-CD1 4.08Å; F24-F27 WeakPolarHBondContact O-CB 3.29Å; F24-F27 PolarHBondContact O-N 2.91Å; F24-I28 HydrophobicContact CD1-CD1 3.47Å; F24-I28 VanDerWaalsContact CD1-CD1 3.47Å; F24-I28 HydrophobicContact CD1-CG1 4.23Å; F24-I28 HydrophobicContact CE1-CD1 3.16Å; F24-I28 HydrophobicContact CE1-CG1 3.85Å; F24-I28 HydrophobicContact CE2-CG1 4.44Å; F24-I28 HydrophobicContact CG-CD1 4.3Å; F24-I28 HydrophobicContact CZ-CD1 3.78Å; F24-I28 HydrophobicContact CZ-CG1 3.94Å; F24-I28 VanDerWaalsContact O-CG1 3.3Å; F24-I28 WeakPolarHBondContact O-CG1 3.32Å; F24-I28 PolarHBondContact O-N 3.15Å; F24-I256 HydrophobicContact CD1-CG2 3.99Å; F24-I256 HydrophobicContact CE1-CB 3.6Å; F24-I256 HydrophobicContact CE1-CD1 4.3Å; F24-I256 HydrophobicContact CE1-CG2 3.22Å; F24-I256 HydrophobicContact CE2-CD1 4.09Å; F24-I256 HydrophobicContact CZ-CB 3.66Å; F24-I256 HydrophobicContact CZ-CD1 3.62Å; F24-I256 HydrophobicContact CZ-CG1 4.21Å; F24-I256 HydrophobicContact CZ-CG2 3.71Å |
| 25 | Q | 85.8 | Confident | 86 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 173.2 | -73.9 | 177.9 | -30.1 | 0 | 0 | 112.2 | F21 H22 F27 I28 C29 S48 P258 | F21-Q25 HydrophobicContact CE1-CG 4.39Å; F21-Q25 WeakPolarHBondContact O-CG 3.3Å; F21-Q25 PolarHBondContact O-N 3.01Å; H22-Q25 PolarHBondContact CD2-OE1 2.86Å; H22-Q25 PolarHBondContact O-N 3.33Å; Q25-F27 VanDerWaalsContact C-N 3.34Å; Q25-I28 WeakPolarHBondContact O-CB 3.23Å; Q25-I28 PolarHBondContact O-N 3.34Å; Q25-C29 PolarHBondContact O-N 3.33Å; Q25-C29 PolarHBondContact O-SG 2.85Å; Q25-C29 VanDerWaalsContact O-SG 3.33Å; Q25-S48 PolarHBondContact OE1-OG 2.93Å; Q25-P258 HydrophobicContact CG-CB 4.08Å; Q25-P258 PolarHBondContact NE2-O 3.48Å |
| 26 | V | 87.6 | Confident | 86 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 58% | 0.576 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61 | -45.6 | 174.7 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | H22 C23 I28 C29 V30 | H22-V26 WeakPolarHBondContact O-CG2 3.46Å; H22-V26 PolarHBondContact O-N 3.41Å; C23-V26 PolarHBondContact O-N 3.12Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 PolarHBondContact O-N 3.35Å; V26-C29 PolarHBondContact O-N 3.27Å; V26-V30 WeakPolarHBondContact O-CG2 3.44Å; V26-V30 PolarHBondContact O-N 3.27Å |
| 27 | F | 87.6 | Confident | 86.3 | Confident | 98 Ų | 98 | 53.7 Ų | 53.7 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 174.5 | 172.2 | -102.2 | 0 | 0 | 0 | 112 | C23 F24 Q25 V30 I31 | C23-F27 PolarHBondContact O-N 3.26Å; F24-F27 HydrophobicContact CD2-CD1 4.22Å; F24-F27 HydrophobicContact CE2-CD1 4.08Å; F24-F27 WeakPolarHBondContact O-CB 3.29Å; F24-F27 PolarHBondContact O-N 2.91Å; Q25-F27 VanDerWaalsContact C-N 3.34Å; F27-V30 PolarHBondContact O-N 3.36Å; F27-I31 HydrophobicContact CE1-CG1 4.14Å; F27-I31 HydrophobicContact CE2-CD1 4.14Å; F27-I31 HydrophobicContact CE2-CG1 4.05Å; F27-I31 HydrophobicContact CZ-CD1 4.1Å; F27-I31 HydrophobicContact CZ-CG1 3.85Å; F27-I31 WeakPolarHBondContact O-CG1 3.43Å; F27-I31 PolarHBondContact O-N 3.09Å |
| 28 | I | 88.3 | Confident | 86.6 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58 | -50.5 | 175.5 | -71.6 | 163.6 | 0 | 0 | 0 | 111 | F24 Q25 V26 V30 I31 W32 T253 P258 | F24-I28 HydrophobicContact CD1-CD1 3.47Å; F24-I28 VanDerWaalsContact CD1-CD1 3.47Å; F24-I28 HydrophobicContact CD1-CG1 4.23Å; F24-I28 HydrophobicContact CE1-CD1 3.16Å; F24-I28 HydrophobicContact CE1-CG1 3.85Å; F24-I28 HydrophobicContact CE2-CG1 4.44Å; F24-I28 HydrophobicContact CG-CD1 4.3Å; F24-I28 HydrophobicContact CZ-CD1 3.78Å; F24-I28 HydrophobicContact CZ-CG1 3.94Å; F24-I28 VanDerWaalsContact O-CG1 3.3Å; F24-I28 WeakPolarHBondContact O-CG1 3.32Å; F24-I28 PolarHBondContact O-N 3.15Å; Q25-I28 WeakPolarHBondContact O-CB 3.23Å; Q25-I28 PolarHBondContact O-N 3.34Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 PolarHBondContact O-N 3.35Å; I28-V30 VanDerWaalsContact C-N 3.29Å; I28-V30 PolarHBondContact O-N 2.96Å; I28-I31 PolarHBondContact O-N 3.34Å; I28-W32 VanDerWaalsContact CG2-NE1 3.31Å; I28-W32 PolarHBondContact O-N 3.39Å; I28-T253 HydrophobicContact CB-CG2 4.46Å; I28-T253 HydrophobicContact CG1-CG2 4.01Å; I28-T253 HydrophobicContact CG2-CG2 4.4Å; I28-P258 HydrophobicContact CD1-CB 3.74Å; I28-P258 HydrophobicContact CD1-CG 4.32Å |
| 29 | C | 89.2 | Confident | 86.8 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -42.7 | 179.5 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | Q25 V26 I31 W32 Y33 | Q25-C29 PolarHBondContact O-N 3.33Å; Q25-C29 PolarHBondContact O-SG 2.85Å; Q25-C29 VanDerWaalsContact O-SG 3.33Å; V26-C29 PolarHBondContact O-N 3.27Å; C29-I31 PolarHBondContact O-N 2.93Å; C29-W32 PolarHBondContact O-N 3.46Å; C29-Y33 WeakPolarHBondContact O-CD2 3.3Å; C29-Y33 PolarHBondContact O-N 3.1Å |
| 30 | V | 90.7 | Very high | 87.2 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 47% | 0.473 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | V26 F27 I28 W32 Y33 C34 | V26-V30 WeakPolarHBondContact O-CG2 3.44Å; V26-V30 PolarHBondContact O-N 3.27Å; F27-V30 PolarHBondContact O-N 3.36Å; I28-V30 VanDerWaalsContact C-N 3.29Å; I28-V30 PolarHBondContact O-N 2.96Å; V30-W32 PolarHBondContact O-N 3.33Å; V30-Y33 PolarHBondContact O-N 3.36Å; V30-C34 PolarHBondContact O-N 3.32Å; V30-C34 PolarHBondContact O-SG 2.83Å |
| 31 | I | 89.2 | Confident | 87.8 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.087 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 177.3 | -65.3 | -63.2 | 0 | 0 | 0 | 110.9 | F27 I28 C29 Y33 C34 V35 L249 T253 | F27-I31 HydrophobicContact CE1-CG1 4.14Å; F27-I31 HydrophobicContact CE2-CD1 4.14Å; F27-I31 HydrophobicContact CE2-CG1 4.05Å; F27-I31 HydrophobicContact CZ-CD1 4.1Å; F27-I31 HydrophobicContact CZ-CG1 3.85Å; F27-I31 WeakPolarHBondContact O-CG1 3.43Å; F27-I31 PolarHBondContact O-N 3.09Å; I28-I31 PolarHBondContact O-N 3.34Å; C29-I31 PolarHBondContact O-N 2.93Å; I31-Y33 VanDerWaalsContact C-N 3.32Å; I31-Y33 PolarHBondContact O-N 2.91Å; I31-C34 WeakPolarHBondContact O-CA 3.49Å; I31-C34 WeakPolarHBondContact O-CB 3.48Å; I31-C34 PolarHBondContact O-N 3.17Å; I31-V35 HydrophobicContact CG2-CG2 4.4Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.32Å; I31-V35 PolarHBondContact O-N 2.95Å; I31-L249 HydrophobicContact CD1-CD1 4.14Å; I31-L249 HydrophobicContact CG2-CB 4.23Å; I31-T253 HydrophobicContact CB-CG2 4.21Å; I31-T253 HydrophobicContact CG2-CG2 4.05Å |
| 32 | W | 91 | Very high | 88.6 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -32.3 | 179.9 | -71.5 | 112.1 | 0 | 0 | 0 | 113.5 | I28 C29 V30 V35 E36 Y37 Y40 A41 D250 T253 I254 Y754 | I28-W32 VanDerWaalsContact CG2-NE1 3.31Å; I28-W32 PolarHBondContact O-N 3.39Å; C29-W32 PolarHBondContact O-N 3.46Å; V30-W32 PolarHBondContact O-N 3.33Å; W32-V35 PolarHBondContact O-N 3Å; W32-E36 PolarHBondContact O-N 2.7Å; W32-Y37 HydrophobicContact CE3-CD1 4.27Å; W32-Y37 AromaticContact CE3-CD2 3.45Å; W32-Y37 HydrophobicContact CE3-CD2 3.45Å; W32-Y37 VanDerWaalsContact CE3-CD2 3.45Å; W32-Y37 HydrophobicContact CE3-CE2 4.03Å; W32-Y37 AromaticContact CE3-CG 3.58Å; W32-Y37 HydrophobicContact CE3-CG 3.58Å; W32-Y37 HydrophobicContact CZ3-CD1 4.2Å; W32-Y37 AromaticContact CZ3-CD2 3.64Å; W32-Y37 HydrophobicContact CZ3-CD2 3.64Å; W32-Y37 HydrophobicContact CZ3-CE1 4.36Å; W32-Y37 AromaticContact CZ3-CE2 3.74Å; W32-Y37 HydrophobicContact CZ3-CE2 3.74Å; W32-Y37 AromaticContact CZ3-CG 3.88Å; W32-Y37 HydrophobicContact CZ3-CG 3.88Å; W32-Y37 PolarHBondContact O-N 3.39Å; W32-Y40 AromaticContact CD2-CD1 3.98Å; W32-Y40 HydrophobicContact CD2-CD1 3.98Å; W32-Y40 AromaticContact CD2-CE1 3.9Å; W32-Y40 HydrophobicContact CD2-CE1 3.9Å; W32-Y40 AromaticContact CE2-CE1 3.66Å; W32-Y40 HydrophobicContact CE3-CD1 4.17Å; W32-Y40 HydrophobicContact CE3-CE1 4.32Å; W32-Y40 HydrophobicContact CG-CD1 4.26Å; W32-Y40 HydrophobicContact CG-CE1 4.32Å; W32-Y40 HydrophobicContact CH2-CE1 4.3Å; W32-Y40 AromaticContact CZ2-CE1 3.89Å; W32-Y40 HydrophobicContact CZ2-CE1 3.89Å; W32-Y40 HydrophobicContact CZ3-CE1 4.49Å; W32-Y40 AromaticContact NE1-CE1 3.92Å; W32-A41 HydrophobicContact CB-CB 3.82Å; W32-D250 HydrophobicContact CH2-CB 4.29Å; W32-T253 WeakPolarHBondContact CZ2-OG1 3.24Å; W32-I254 HydrophobicContact CH2-CD1 4.23Å; W32-I254 HydrophobicContact CH2-CG1 4.28Å; W32-I254 HydrophobicContact CZ2-CD1 4.47Å; W32-I254 HydrophobicContact CZ2-CG1 4.02Å; W32-Y754 HydrophobicContact CH2-CD2 4.46Å; W32-Y754 HydrophobicContact CH2-CE1 4.24Å; W32-Y754 HydrophobicContact CH2-CE2 4.03Å; W32-Y754 AromaticContact CH2-CZ 3.91Å; W32-Y754 HydrophobicContact CZ3-CD2 4.41Å; W32-Y754 HydrophobicContact CZ3-CE2 4.07Å |
| 33 | Y | 91.5 | Very high | 88.9 | Confident | 104 Ų | 104 | 50.4 Ų | 50.4 | 41% | 0.408 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 169.3 | -81.2 | -63.3 | 0 | 0 | 0 | 111.9 | C29 V30 I31 V35 E36 E38 A41 T42 | C29-Y33 WeakPolarHBondContact O-CD2 3.3Å; C29-Y33 PolarHBondContact O-N 3.1Å; V30-Y33 PolarHBondContact O-N 3.36Å; I31-Y33 VanDerWaalsContact C-N 3.32Å; I31-Y33 PolarHBondContact O-N 2.91Å; Y33-V35 PolarHBondContact O-N 3.47Å; Y33-E36 PolarHBondContact O-N 3.36Å; Y33-E38 HydrophobicContact CD1-CB 4.48Å; Y33-E38 HydrophobicContact CD1-CG 4.35Å; Y33-E38 HydrophobicContact CE1-CB 4.32Å; Y33-A41 HydrophobicContact CD1-CB 4.15Å; Y33-A41 HydrophobicContact CD2-CB 3.87Å; Y33-A41 HydrophobicContact CE1-CB 4.04Å; Y33-A41 HydrophobicContact CE2-CB 3.74Å; Y33-A41 HydrophobicContact CG-CB 4.06Å; Y33-T42 PolarHBondContact OH-OG1 2.99Å |
| 34 | C | 89.4 | Confident | 89 | Confident | 59 Ų | 59 | 48 Ų | 48 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -23.3 | 176.1 | -68.5 | 0 | 0 | 0 | 0 | 113.6 | V30 I31 Y242 | V30-C34 PolarHBondContact O-N 3.32Å; V30-C34 PolarHBondContact O-SG 2.83Å; I31-C34 WeakPolarHBondContact O-CA 3.49Å; I31-C34 WeakPolarHBondContact O-CB 3.48Å; I31-C34 PolarHBondContact O-N 3.17Å; C34-Y242 PolarHBondContact O-OH 3.1Å |
| 35 | V | 85.3 | Confident | 89.3 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 13.6 | -179.6 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | I31 W32 Y33 Y37 L246 | I31-V35 HydrophobicContact CG2-CG2 4.4Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.32Å; I31-V35 PolarHBondContact O-N 2.95Å; W32-V35 PolarHBondContact O-N 3Å; Y33-V35 PolarHBondContact O-N 3.47Å; V35-Y37 VanDerWaalsContact C-N 3.32Å; V35-Y37 HydrophobicContact CB-CD2 4.09Å; V35-Y37 HydrophobicContact CB-CE2 4.47Å; V35-Y37 HydrophobicContact CG1-CD2 3.83Å; V35-Y37 HydrophobicContact CG1-CE2 3.72Å; V35-Y37 WeakPolarHBondContact O-CD2 3.32Å; V35-Y37 PolarHBondContact O-N 3.39Å; V35-L246 HydrophobicContact CG2-CB 4.31Å |
| 36 | E | 87 | Confident | 89.5 | Confident | 151 Ų | 151 | 50.7 Ų | 50.7 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 23.7 | 175.3 | -52.5 | 178.9 | 170.8 | 0 | 0 | 115 | W32 Y33 E38 | W32-E36 PolarHBondContact O-N 2.7Å; Y33-E36 PolarHBondContact O-N 3.36Å; E36-E38 VanDerWaalsContact C-N 3.32Å; E36-E38 PolarHBondContact O-N 3.41Å |
| 37 | Y | 88.7 | Confident | 89.4 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | trans | -93 | 53.5 | 172.5 | -73.7 | -92.1 | 0 | 0 | 0 | 111.8 | W32 V35 I39 Y40 A41 N748 F749 Q751 Y754 | W32-Y37 HydrophobicContact CE3-CD1 4.27Å; W32-Y37 AromaticContact CE3-CD2 3.45Å; W32-Y37 HydrophobicContact CE3-CD2 3.45Å; W32-Y37 VanDerWaalsContact CE3-CD2 3.45Å; W32-Y37 HydrophobicContact CE3-CE2 4.03Å; W32-Y37 AromaticContact CE3-CG 3.58Å; W32-Y37 HydrophobicContact CE3-CG 3.58Å; W32-Y37 HydrophobicContact CZ3-CD1 4.2Å; W32-Y37 AromaticContact CZ3-CD2 3.64Å; W32-Y37 HydrophobicContact CZ3-CD2 3.64Å; W32-Y37 HydrophobicContact CZ3-CE1 4.36Å; W32-Y37 AromaticContact CZ3-CE2 3.74Å; W32-Y37 HydrophobicContact CZ3-CE2 3.74Å; W32-Y37 AromaticContact CZ3-CG 3.88Å; W32-Y37 HydrophobicContact CZ3-CG 3.88Å; W32-Y37 PolarHBondContact O-N 3.39Å; V35-Y37 VanDerWaalsContact C-N 3.32Å; V35-Y37 HydrophobicContact CB-CD2 4.09Å; V35-Y37 HydrophobicContact CB-CE2 4.47Å; V35-Y37 HydrophobicContact CG1-CD2 3.83Å; V35-Y37 HydrophobicContact CG1-CE2 3.72Å; V35-Y37 WeakPolarHBondContact O-CD2 3.32Å; V35-Y37 PolarHBondContact O-N 3.39Å; Y37-I39 PolarHBondContact O-N 2.92Å; Y37-Y40 PolarHBondContact O-N 2.85Å; Y37-A41 WeakPolarHBondContact O-CB 3.21Å; Y37-A41 PolarHBondContact O-N 3.37Å; Y37-N748 PolarHBondContact OH-ND2 3.47Å; Y37-F749 PolarHBondContact OH-O 3.14Å; Y37-Q751 HydrophobicContact CD1-CB 3.53Å; Y37-Q751 HydrophobicContact CE1-CB 4.1Å; Y37-Y754 HydrophobicContact CD1-CD2 4.2Å; Y37-Y754 AromaticContact CE1-CD2 3.7Å; Y37-Y754 HydrophobicContact CE1-CD2 3.7Å; Y37-Y754 AromaticContact CE1-CE2 3.76Å; Y37-Y754 HydrophobicContact CE1-CE2 3.76Å; Y37-Y754 AromaticContact CZ-CE2 3.93Å | ||
| 38 | E | 91.6 | Very high | 89.2 | Confident | 127 Ų | 127 | 45.2 Ų | 45.2 | 59% | 0.593 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.2 | -43.8 | -168.9 | -61.1 | -177.2 | 169.7 | 0 | 0 | 113.9 | Y33 E36 T42 | Y33-E38 HydrophobicContact CD1-CB 4.48Å; Y33-E38 HydrophobicContact CD1-CG 4.35Å; Y33-E38 HydrophobicContact CE1-CB 4.32Å; E36-E38 VanDerWaalsContact C-N 3.32Å; E36-E38 PolarHBondContact O-N 3.41Å; E38-T42 WeakPolarHBondContact O-CB 3.34Å; E38-T42 PolarHBondContact O-N 2.82Å; E38-T42 PolarHBondContact O-OG1 3.28Å |
| 39 | I | 91.9 | Very high | 89.2 | Confident | 65 Ų | 65 | 49 Ų | 49 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.2 | -47.3 | -177 | -58.9 | 179.3 | 0 | 0 | 0 | 109.9 | Y37 T42 C43 W752 | Y37-I39 PolarHBondContact O-N 2.92Å; I39-T42 PolarHBondContact O-N 3.5Å; I39-C43 PolarHBondContact O-N 3.35Å; I39-C43 PolarHBondContact O-SG 3Å; I39-C43 VanDerWaalsContact O-SG 3.36Å; I39-W752 HydrophobicContact CD1-CH2 4.34Å; I39-W752 HydrophobicContact CD1-CZ2 3.69Å; I39-W752 HydrophobicContact CG2-CH2 4.38Å |
| 40 | Y | 90 | Very high | 89.1 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | -179.4 | 176.4 | -112.9 | 0 | 0 | 0 | 111.5 | W32 Y37 T42 C43 I44 D758 F759 | W32-Y40 AromaticContact CD2-CD1 3.98Å; W32-Y40 HydrophobicContact CD2-CD1 3.98Å; W32-Y40 AromaticContact CD2-CE1 3.9Å; W32-Y40 HydrophobicContact CD2-CE1 3.9Å; W32-Y40 AromaticContact CE2-CE1 3.66Å; W32-Y40 HydrophobicContact CE3-CD1 4.17Å; W32-Y40 HydrophobicContact CE3-CE1 4.32Å; W32-Y40 HydrophobicContact CG-CD1 4.26Å; W32-Y40 HydrophobicContact CG-CE1 4.32Å; W32-Y40 HydrophobicContact CH2-CE1 4.3Å; W32-Y40 AromaticContact CZ2-CE1 3.89Å; W32-Y40 HydrophobicContact CZ2-CE1 3.89Å; W32-Y40 HydrophobicContact CZ3-CE1 4.49Å; W32-Y40 AromaticContact NE1-CE1 3.92Å; Y37-Y40 PolarHBondContact O-N 2.85Å; Y40-T42 VanDerWaalsContact C-N 3.32Å; Y40-T42 PolarHBondContact O-N 2.8Å; Y40-C43 PolarHBondContact O-N 3.38Å; Y40-I44 HydrophobicContact CD1-CD1 4.03Å; Y40-I44 HydrophobicContact CE1-CD1 3.55Å; Y40-I44 HydrophobicContact CE2-CD1 4.09Å; Y40-I44 HydrophobicContact CE2-CG1 4.44Å; Y40-I44 HydrophobicContact CG-CD1 4.48Å; Y40-I44 WeakPolarHBondContact O-CG1 3.41Å; Y40-I44 PolarHBondContact O-N 2.95Å; Y40-I44 VanDerWaalsContact O-N 3.08Å; Y40-D758 HydrophobicContact CE2-CB 4.37Å; Y40-D758 PolarHBondContact OH-OD2 3.43Å; Y40-F759 HydrophobicContact CE2-CE2 4.44Å |
| 41 | A | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W32 Y33 Y37 I44 A45 | W32-A41 HydrophobicContact CB-CB 3.82Å; Y33-A41 HydrophobicContact CD1-CB 4.15Å; Y33-A41 HydrophobicContact CD2-CB 3.87Å; Y33-A41 HydrophobicContact CE1-CB 4.04Å; Y33-A41 HydrophobicContact CE2-CB 3.74Å; Y33-A41 HydrophobicContact CG-CB 4.06Å; Y37-A41 WeakPolarHBondContact O-CB 3.21Å; Y37-A41 PolarHBondContact O-N 3.37Å; A41-I44 PolarHBondContact O-N 3.14Å; A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 3.32Å |
| 42 | T | 92.4 | Very high | 88.5 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 177.3 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | Y33 E38 I39 Y40 I44 A45 V46 | Y33-T42 PolarHBondContact OH-OG1 2.99Å; E38-T42 WeakPolarHBondContact O-CB 3.34Å; E38-T42 PolarHBondContact O-N 2.82Å; E38-T42 PolarHBondContact O-OG1 3.28Å; I39-T42 PolarHBondContact O-N 3.5Å; Y40-T42 VanDerWaalsContact C-N 3.32Å; Y40-T42 PolarHBondContact O-N 2.8Å; T42-I44 PolarHBondContact O-N 3.17Å; T42-A45 PolarHBondContact O-N 2.91Å; T42-V46 HydrophobicContact CG2-CG2 4.46Å; T42-V46 WeakPolarHBondContact O-CG2 3.34Å; T42-V46 PolarHBondContact O-N 3.48Å |
| 43 | C | 90.1 | Very high | 88.4 | Confident | 41 Ų | 41 | 56.1 Ų | 56.1 | 28% | 0.277 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.2 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | I39 Y40 V46 F47 L755 F759 | I39-C43 PolarHBondContact O-N 3.35Å; I39-C43 PolarHBondContact O-SG 3Å; I39-C43 VanDerWaalsContact O-SG 3.36Å; Y40-C43 PolarHBondContact O-N 3.38Å; C43-V46 PolarHBondContact O-N 3.05Å; C43-F47 WeakPolarHBondContact O-CB 2.96Å; C43-F47 PolarHBondContact O-N 3.19Å; C43-L755 HydrophobicContact CB-CD1 3.87Å; C43-F759 HydrophobicContact CB-CE2 3.9Å; C43-F759 HydrophobicContact CB-CZ 3.85Å |
| 44 | I | 87.9 | Confident | 88 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.4 | -64.9 | 169.9 | 0 | 0 | 0 | 110.8 | Y40 A41 T42 F47 S48 F759 | Y40-I44 HydrophobicContact CD1-CD1 4.03Å; Y40-I44 HydrophobicContact CE1-CD1 3.55Å; Y40-I44 HydrophobicContact CE2-CD1 4.09Å; Y40-I44 HydrophobicContact CE2-CG1 4.44Å; Y40-I44 HydrophobicContact CG-CD1 4.48Å; Y40-I44 WeakPolarHBondContact O-CG1 3.41Å; Y40-I44 PolarHBondContact O-N 2.95Å; Y40-I44 VanDerWaalsContact O-N 3.08Å; A41-I44 PolarHBondContact O-N 3.14Å; T42-I44 PolarHBondContact O-N 3.17Å; I44-F47 PolarHBondContact O-N 2.67Å; I44-S48 WeakPolarHBondContact O-CB 3.45Å; I44-S48 PolarHBondContact O-N 3.26Å; I44-S48 PolarHBondContact O-OG 2.76Å; I44-F759 HydrophobicContact CG1-CE2 4.2Å; I44-F759 HydrophobicContact CG1-CZ 4.35Å |
| 45 | A | 89.1 | Confident | 87.5 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A41 T42 F47 S48 V49 | A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 3.32Å; T42-A45 PolarHBondContact O-N 2.91Å; A45-F47 PolarHBondContact O-N 3.39Å; A45-S48 PolarHBondContact O-N 3.13Å; A45-V49 WeakPolarHBondContact O-CG2 3.34Å; A45-V49 PolarHBondContact O-N 2.99Å |
| 46 | V | 90.5 | Very high | 87.5 | Confident | 79 Ų | 79 | 58.1 Ų | 58.1 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | T42 C43 S48 V49 I50 | T42-V46 HydrophobicContact CG2-CG2 4.46Å; T42-V46 WeakPolarHBondContact O-CG2 3.34Å; T42-V46 PolarHBondContact O-N 3.48Å; C43-V46 PolarHBondContact O-N 3.05Å; V46-S48 VanDerWaalsContact C-N 3.32Å; V46-S48 PolarHBondContact O-N 2.92Å; V46-V49 PolarHBondContact O-N 3.13Å; V46-I50 HydrophobicContact CG1-CD1 3.88Å; V46-I50 WeakPolarHBondContact O-CG1 3.2Å; V46-I50 PolarHBondContact O-N 3.46Å |
| 47 | F | 84.3 | Confident | 87.5 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 29% | 0.285 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 179.2 | -173.1 | -97.7 | 0 | 0 | 0 | 112.3 | C43 I44 A45 I50 S51 I259 F759 | C43-F47 WeakPolarHBondContact O-CB 2.96Å; C43-F47 PolarHBondContact O-N 3.19Å; I44-F47 PolarHBondContact O-N 2.67Å; A45-F47 PolarHBondContact O-N 3.39Å; F47-I50 PolarHBondContact O-N 3.46Å; F47-S51 WeakPolarHBondContact O-CB 3.43Å; F47-S51 PolarHBondContact O-N 2.98Å; F47-I259 HydrophobicContact CE1-CD1 3.79Å; F47-I259 HydrophobicContact CE1-CG1 4.42Å; F47-I259 HydrophobicContact CZ-CD1 4.05Å; F47-F759 HydrophobicContact CB-CE1 4.01Å; F47-F759 HydrophobicContact CB-CZ 4.3Å; F47-F759 HydrophobicContact CD2-CE1 4.32Å; F47-F759 HydrophobicContact CG-CE1 4.2Å |
| 48 | S | 84.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | Q25 I44 A45 V46 S51 L52 | Q25-S48 PolarHBondContact OE1-OG 2.93Å; I44-S48 WeakPolarHBondContact O-CB 3.45Å; I44-S48 PolarHBondContact O-N 3.26Å; I44-S48 PolarHBondContact O-OG 2.76Å; A45-S48 PolarHBondContact O-N 3.13Å; V46-S48 VanDerWaalsContact C-N 3.32Å; V46-S48 PolarHBondContact O-N 2.92Å; S48-S51 PolarHBondContact O-N 3.3Å; S48-L52 WeakPolarHBondContact O-CB 3.32Å; S48-L52 PolarHBondContact O-N 3.04Å |
| 49 | V | 88 | Confident | 86.2 | Confident | 83 Ų | 83 | 58.5 Ų | 58.5 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | A45 V46 S51 L52 I53 | A45-V49 WeakPolarHBondContact O-CG2 3.34Å; A45-V49 PolarHBondContact O-N 2.99Å; V46-V49 PolarHBondContact O-N 3.13Å; V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 3.47Å; V49-L52 PolarHBondContact O-N 3.45Å; V49-I53 HydrophobicContact CG1-CD1 3.84Å; V49-I53 HydrophobicContact CG1-CG1 4.47Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.41Å; V49-I53 PolarHBondContact O-N 2.91Å |
| 50 | I | 87.6 | Confident | 85.8 | Confident | 103 Ų | 103 | 56.5 Ų | 56.5 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 177.4 | -67.3 | 167.7 | 0 | 0 | 0 | 110.8 | V46 F47 L52 I53 F54 | V46-I50 HydrophobicContact CG1-CD1 3.88Å; V46-I50 WeakPolarHBondContact O-CG1 3.2Å; V46-I50 PolarHBondContact O-N 3.46Å; F47-I50 PolarHBondContact O-N 3.46Å; I50-L52 PolarHBondContact O-N 3.38Å; I50-I53 PolarHBondContact O-N 3.09Å; I50-F54 PolarHBondContact O-N 3.3Å |
| 51 | S | 81.9 | Confident | 85.4 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | F47 S48 V49 F54 Q55 | F47-S51 WeakPolarHBondContact O-CB 3.43Å; F47-S51 PolarHBondContact O-N 2.98Å; S48-S51 PolarHBondContact O-N 3.3Å; V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 3.47Å; S51-F54 PolarHBondContact O-N 3.27Å; S51-Q55 WeakPolarHBondContact O-CB 3.13Å; S51-Q55 PolarHBondContact O-N 2.79Å |
| 52 | L | 85.1 | Confident | 84.4 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.1 | 179.3 | 67.7 | 0 | 0 | 0 | 111.9 | V13 C17 S48 V49 I50 F54 Q55 V56 | V13-L52 HydrophobicContact CG1-CD2 4.46Å; C17-L52 WeakPolarHBondContact SG-CD2 3.5Å; S48-L52 WeakPolarHBondContact O-CB 3.32Å; S48-L52 PolarHBondContact O-N 3.04Å; V49-L52 PolarHBondContact O-N 3.45Å; I50-L52 PolarHBondContact O-N 3.38Å; L52-F54 VanDerWaalsContact C-N 3.33Å; L52-F54 PolarHBondContact O-N 3.32Å; L52-Q55 PolarHBondContact O-N 3.03Å; L52-V56 HydrophobicContact CD1-CG2 4.25Å; L52-V56 HydrophobicContact CG-CG2 4.49Å; L52-V56 WeakPolarHBondContact O-CG2 3.26Å; L52-V56 PolarHBondContact O-N 2.98Å |
| 53 | I | 88 | Confident | 83.6 | Confident | 108 Ų | 108 | 64 Ų | 64 | 55% | 0.554 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.9 | -46.6 | 177.1 | -68.9 | 165.8 | 0 | 0 | 0 | 110.4 | V49 I50 Q55 V56 Y57 | V49-I53 HydrophobicContact CG1-CD1 3.84Å; V49-I53 HydrophobicContact CG1-CG1 4.47Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.41Å; V49-I53 PolarHBondContact O-N 2.91Å; I50-I53 PolarHBondContact O-N 3.09Å; I53-Q55 PolarHBondContact O-N 2.89Å; I53-V56 PolarHBondContact O-N 3.23Å; I53-Y57 VanDerWaalsContact O-CB 3.32Å; I53-Y57 WeakPolarHBondContact O-CB 3.14Å; I53-Y57 PolarHBondContact O-N 3.32Å |
| 54 | F | 83.6 | Confident | 83.1 | Confident | 107 Ų | 107 | 68 Ų | 68 | 47% | 0.469 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 178.7 | -173.2 | -93.1 | 0 | 0 | 0 | 111.7 | I50 S51 L52 Y57 E58 | I50-F54 PolarHBondContact O-N 3.3Å; S51-F54 PolarHBondContact O-N 3.27Å; L52-F54 VanDerWaalsContact C-N 3.33Å; L52-F54 PolarHBondContact O-N 3.32Å; F54-Y57 PolarHBondContact O-N 3.32Å; F54-E58 WeakPolarHBondContact CE1-OE2 3.09Å; F54-E58 WeakPolarHBondContact O-CB 3.17Å; F54-E58 PolarHBondContact O-N 3.46Å |
| 55 | Q | 79.6 | Confident | 82.2 | Confident | 94 Ų | 94 | 70 Ų | 70 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 178 | -175.9 | 176.9 | 50.1 | 0 | 0 | 112.3 | S51 L52 I53 E58 L59 | S51-Q55 WeakPolarHBondContact O-CB 3.13Å; S51-Q55 PolarHBondContact O-N 2.79Å; L52-Q55 PolarHBondContact O-N 3.03Å; I53-Q55 PolarHBondContact O-N 2.89Å; Q55-E58 PolarHBondContact O-N 3.21Å; Q55-L59 WeakPolarHBondContact O-CB 3.24Å; Q55-L59 PolarHBondContact O-N 3.03Å |
| 56 | V | 85.4 | Confident | 81.3 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.2 | 170.7 | 0 | 0 | 0 | 0 | 111 | I9 L12 V13 L52 I53 E58 L59 H60 | I9-V56 HydrophobicContact CG2-CG1 4.13Å; L12-V56 HydrophobicContact CB-CG1 4.05Å; V13-V56 HydrophobicContact CG2-CG1 4.02Å; V13-V56 HydrophobicContact CG2-CG2 4.06Å; L52-V56 HydrophobicContact CD1-CG2 4.25Å; L52-V56 HydrophobicContact CG-CG2 4.49Å; L52-V56 WeakPolarHBondContact O-CG2 3.26Å; L52-V56 PolarHBondContact O-N 2.98Å; I53-V56 PolarHBondContact O-N 3.23Å; V56-E58 PolarHBondContact O-N 2.91Å; V56-L59 PolarHBondContact O-N 2.91Å; V56-H60 WeakPolarHBondContact O-CB 3.1Å; V56-H60 PolarHBondContact O-N 2.66Å |
| 57 | Y | 85.9 | Confident | 80.6 | Confident | 154 Ų | 154 | 69.2 Ų | 69.2 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.9 | -45.9 | 176.7 | 175.2 | -94.8 | 0 | 0 | 0 | 111.8 | I53 F54 K61 | I53-Y57 VanDerWaalsContact O-CB 3.32Å; I53-Y57 WeakPolarHBondContact O-CB 3.14Å; I53-Y57 PolarHBondContact O-N 3.32Å; F54-Y57 PolarHBondContact O-N 3.32Å; Y57-K61 HydrophobicContact CE1-CD 4.38Å; Y57-K61 VanDerWaalsContact O-CB 3.3Å; Y57-K61 WeakPolarHBondContact O-CB 3.47Å; Y57-K61 PolarHBondContact O-N 3.31Å |
| 58 | E | 77.3 | Confident | 80 | Confident | 58 Ų | 58 | 76 Ų | 76 | 27% | 0.271 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 179.3 | -173.4 | 166.1 | -161.2 | 0 | 0 | 111.9 | F54 Q55 V56 K61 N62 | F54-E58 WeakPolarHBondContact CE1-OE2 3.09Å; F54-E58 WeakPolarHBondContact O-CB 3.17Å; F54-E58 PolarHBondContact O-N 3.46Å; Q55-E58 PolarHBondContact O-N 3.21Å; V56-E58 PolarHBondContact O-N 2.91Å; E58-K61 PolarHBondContact O-N 3.44Å; E58-N62 VanDerWaalsContact O-CG 3.24Å; E58-N62 PolarHBondContact O-N 3.39Å; E58-N62 PolarHBondContact O-ND2 3.1Å |
| 59 | L | 76 | Confident | 79.2 | Confident | 81 Ų | 81 | 78.8 Ų | 78.8 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 177.4 | -176.1 | 59.5 | 0 | 0 | 0 | 112 | L12 Q55 V56 K61 N62 E63 | L12-L59 HydrophobicContact CD2-CD2 3.54Å; L12-L59 HydrophobicContact CD2-CG 4.19Å; Q55-L59 WeakPolarHBondContact O-CB 3.24Å; Q55-L59 PolarHBondContact O-N 3.03Å; V56-L59 PolarHBondContact O-N 2.91Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.46Å; L59-N62 PolarHBondContact O-N 3.25Å; L59-N62 VanDerWaalsContact O-N 3.16Å; L59-E63 PolarHBondContact O-N 2.89Å |
| 60 | H | 83.4 | Confident | 78.3 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 11% | 0.106 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 178.6 | -169.7 | 59.6 | 0 | 0 | 0 | 112.6 | L12 V56 N62 E63 R64 | L12-H60 HydrophobicContact CD1-CB 4.06Å; V56-H60 WeakPolarHBondContact O-CB 3.1Å; V56-H60 PolarHBondContact O-N 2.66Å; H60-N62 VanDerWaalsContact C-N 3.33Å; H60-E63 PolarHBondContact O-N 2.91Å; H60-R64 VanDerWaalsContact NE2-CZ 3.3Å; H60-R64 PolarHBondContact NE2-NE 3.37Å; H60-R64 VanDerWaalsContact NE2-NE 3.15Å; H60-R64 PolarHBondContact NE2-NH2 3.45Å; H60-R64 WeakPolarHBondContact O-CG 3Å; H60-R64 PolarHBondContact O-N 3.46Å |
| 61 | K | 81.1 | Confident | 77.5 | Confident | 109 Ų | 109 | 72.1 Ų | 72.1 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.4 | -179.8 | 179 | 178.1 | 175.6 | 0 | 111.5 | Y57 E58 L59 R64 A65 | Y57-K61 HydrophobicContact CE1-CD 4.38Å; Y57-K61 VanDerWaalsContact O-CB 3.3Å; Y57-K61 WeakPolarHBondContact O-CB 3.47Å; Y57-K61 PolarHBondContact O-N 3.31Å; E58-K61 PolarHBondContact O-N 3.44Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.46Å; K61-R64 PolarHBondContact O-N 3.19Å; K61-A65 WeakPolarHBondContact O-CB 3.43Å; K61-A65 PolarHBondContact O-N 3.22Å |
| 62 | N | 71.4 | Confident | 77 | Confident | 66 Ų | 66 | 75 Ų | 75 | 35% | 0.353 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 177.7 | -66.4 | -16.8 | 0 | 0 | 0 | 111.5 | E58 L59 H60 R64 A65 L66 | E58-N62 VanDerWaalsContact O-CG 3.24Å; E58-N62 PolarHBondContact O-N 3.39Å; E58-N62 PolarHBondContact O-ND2 3.1Å; L59-N62 PolarHBondContact O-N 3.25Å; L59-N62 VanDerWaalsContact O-N 3.16Å; H60-N62 VanDerWaalsContact C-N 3.33Å; N62-R64 PolarHBondContact O-N 3.27Å; N62-A65 PolarHBondContact O-N 2.97Å; N62-L66 PolarHBondContact O-N 3.49Å |
| 63 | E | 75.1 | Confident | 76.7 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 174.6 | -71.4 | -167.1 | 173.2 | 0 | 0 | 112.1 | L6 T7 L59 H60 L66 K67 | L6-E63 HydrophobicContact CD2-CB 3.83Å; T7-E63 PolarHBondContact N-OE2 3.37Å; T7-E63 VanDerWaalsContact N-OE2 3.09Å; T7-E63 VanDerWaalsContact OG1-CD 3.27Å; T7-E63 PolarHBondContact OG1-OE1 3.39Å; T7-E63 VanDerWaalsContact OG1-OE1 3.1Å; T7-E63 PolarHBondContact OG1-OE2 3.03Å; L59-E63 PolarHBondContact O-N 2.89Å; H60-E63 PolarHBondContact O-N 2.91Å; E63-L66 PolarHBondContact O-N 3.17Å; E63-K67 PolarHBondContact O-N 3.36Å |
| 64 | R | 79.5 | Confident | 76.5 | Confident | 125 Ų | 125 | 74.9 Ų | 74.9 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 176.3 | -79 | -177.5 | 175.5 | 178.9 | 0.2 | 113.1 | L6 H60 K61 N62 L66 K67 R68 | L6-R64 HydrophobicContact CD1-CG 4.18Å; L6-R64 HydrophobicContact CD2-CG 4.34Å; H60-R64 VanDerWaalsContact NE2-CZ 3.3Å; H60-R64 PolarHBondContact NE2-NE 3.37Å; H60-R64 VanDerWaalsContact NE2-NE 3.15Å; H60-R64 PolarHBondContact NE2-NH2 3.45Å; H60-R64 WeakPolarHBondContact O-CG 3Å; H60-R64 PolarHBondContact O-N 3.46Å; K61-R64 PolarHBondContact O-N 3.19Å; N62-R64 PolarHBondContact O-N 3.27Å; R64-L66 VanDerWaalsContact C-N 3.33Å; R64-K67 PolarHBondContact O-N 2.97Å; R64-R68 WeakPolarHBondContact O-CG 2.96Å; R64-R68 PolarHBondContact O-N 2.79Å |
| 65 | A | 69.9 | Low | 76.6 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 44% | 0.438 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | K61 N62 K67 R68 T69 | K61-A65 WeakPolarHBondContact O-CB 3.43Å; K61-A65 PolarHBondContact O-N 3.22Å; N62-A65 PolarHBondContact O-N 2.97Å; A65-K67 PolarHBondContact O-N 3.49Å; A65-R68 PolarHBondContact O-N 2.96Å; A65-T69 PolarHBondContact O-N 3.46Å; A65-T69 PolarHBondContact O-OG1 3.49Å |
| 66 | L | 68.7 | Low | 77 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.7 | -173.1 | 66.1 | 0 | 0 | 0 | 112.4 | N62 E63 R64 R68 T69 V70 M199 I693 | N62-L66 PolarHBondContact O-N 3.49Å; E63-L66 PolarHBondContact O-N 3.17Å; R64-L66 VanDerWaalsContact C-N 3.33Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.25Å; L66-T69 PolarHBondContact O-N 2.96Å; L66-V70 WeakPolarHBondContact O-CG2 3.4Å; L66-V70 PolarHBondContact O-N 2.87Å; L66-M199 HydrophobicContact CD2-CG 4.41Å; L66-I693 HydrophobicContact CD1-CG2 4.23Å |
| 67 | K | 76.1 | Confident | 77.2 | Confident | 54 Ų | 54 | 74 Ų | 74 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.7 | -41.7 | 178 | -177 | 166.9 | -174.9 | 149.1 | 0 | 112.7 | D3 I4 L6 E63 R64 A65 T69 V70 C71 | D3-K67 IonicContact OD1-NZ 2.69Å; D3-K67 PolarHBondContact OD1-NZ 2.87Å; I4-K67 HydrophobicContact CB-CG 4.38Å; I4-K67 WeakPolarHBondContact O-CD 3.32Å; I4-K67 PolarHBondContact O-NZ 3.34Å; L6-K67 HydrophobicContact CD1-CD 3.98Å; L6-K67 HydrophobicContact CD2-CB 4.27Å; L6-K67 HydrophobicContact CD2-CD 4.23Å; L6-K67 HydrophobicContact CG-CD 3.88Å; E63-K67 PolarHBondContact O-N 3.36Å; R64-K67 PolarHBondContact O-N 2.97Å; A65-K67 PolarHBondContact O-N 3.49Å; K67-T69 VanDerWaalsContact C-N 3.32Å; K67-T69 PolarHBondContact O-N 3.47Å; K67-V70 PolarHBondContact O-N 3.29Å; K67-C71 WeakPolarHBondContact O-CB 3.3Å; K67-C71 PolarHBondContact O-N 3.08Å; K67-C71 VanDerWaalsContact O-N 3.1Å |
| 68 | R | 72.7 | Confident | 77.4 | Confident | 206 Ų | 206 | 66.7 Ų | 66.7 | 78% | 0.777 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.3 | -30.7 | -179.8 | -73 | 177.6 | -179.8 | 178.3 | -2.3 | 113.4 | R64 A65 L66 | R64-R68 WeakPolarHBondContact O-CG 2.96Å; R64-R68 PolarHBondContact O-N 2.79Å; A65-R68 PolarHBondContact O-N 2.96Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.25Å |
| 69 | T | 66.5 | Low | 77.9 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -78.4 | -29.3 | 179.4 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | A65 L66 K67 I693 | A65-T69 PolarHBondContact O-N 3.46Å; A65-T69 PolarHBondContact O-OG1 3.49Å; L66-T69 PolarHBondContact O-N 2.96Å; K67-T69 VanDerWaalsContact C-N 3.32Å; K67-T69 PolarHBondContact O-N 3.47Å; T69-I693 HydrophobicContact CG2-CD1 4.01Å; T69-I693 HydrophobicContact CG2-CG1 3.79Å |
| 70 | V | 68.4 | Low | 78.3 | Confident | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -90.5 | -41.8 | -175 | 171.7 | 0 | 0 | 0 | 0 | 113.1 | I2 I4 L66 K67 I72 V195 I693 | I2-V70 HydrophobicContact CB-CG1 4.4Å; I2-V70 HydrophobicContact CG2-CG1 3.62Å; I4-V70 HydrophobicContact CD1-CB 3.83Å; I4-V70 HydrophobicContact CD1-CG1 3.88Å; I4-V70 HydrophobicContact CD1-CG2 3.96Å; I4-V70 HydrophobicContact CG1-CG1 4.47Å; L66-V70 WeakPolarHBondContact O-CG2 3.4Å; L66-V70 PolarHBondContact O-N 2.87Å; K67-V70 PolarHBondContact O-N 3.29Å; V70-I72 PolarHBondContact O-N 3.03Å; V70-V195 HydrophobicContact CB-CG1 4.47Å; V70-V195 HydrophobicContact CG1-CB 4.4Å; V70-V195 HydrophobicContact CG1-CG1 3.54Å; V70-V195 HydrophobicContact CG1-CG2 3.97Å; V70-V195 HydrophobicContact CG2-CG1 4.06Å; V70-V195 HydrophobicContact CG2-CG2 4.37Å; V70-I693 HydrophobicContact CG2-CG2 4.12Å |
| 71 | C | 71.3 | Confident | 77.7 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | trans | -86.6 | 100 | -173 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | I2 K67 | I2-C71 PolarHBondContact O-SG 2.89Å; K67-C71 WeakPolarHBondContact O-CB 3.3Å; K67-C71 PolarHBondContact O-N 3.08Å; K67-C71 VanDerWaalsContact O-N 3.1Å | ||
| 72 | I | 72.5 | Confident | 76.9 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 45% | 0.451 | 36% | 0.361 | S | S | . | . | trans | -115.2 | 135.9 | 169.3 | -55.8 | 173.1 | 0 | 0 | 0 | 107.2 | V70 L110 Q112 | V70-I72 PolarHBondContact O-N 3.03Å; I72-L110 HydrophobicContact CG2-CD2 4.36Å; I72-Q112 PolarHBondContact O-OE1 3.47Å | ||
| 73 | S | 78.3 | Confident | 76.4 | Confident | 74 Ų | 74 | 77.4 Ų | 77.4 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | trans | -124.7 | 150 | 173.2 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | S93 | S73-S93 WeakPolarHBondContact CA-OG 3.43Å; S73-S93 WeakPolarHBondContact CB-OG 3.13Å | ||
| 74 | S | 83.2 | Confident | 76 | Confident | 52 Ų | 52 | 78.4 Ų | 78.4 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | trans | -144.5 | 158.7 | 177 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | S93 | S74-S93 PolarHBondContact N-OG 3.38Å; S74-S93 VanDerWaalsContact N-OG 3.1Å; S74-S93 WeakPolarHBondContact O-CB 3.46Å; S74-S93 PolarHBondContact O-N 2.93Å; S74-S93 PolarHBondContact O-OG 3.42Å | ||
| 75 | K | 86.5 | Confident | 75.1 | Confident | 157 Ų | 157 | 79.9 Ų | 79.9 | 68% | 0.683 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 139.4 | 169.9 | -62.1 | -170.5 | 178.9 | -174.3 | 0 | 110.1 | V91 | K75-V91 CarbonylContact C-O 3.58Å; K75-V91 WeakPolarHBondContact CA-O 3.5Å |
| 76 | V | 87.6 | Confident | 74.9 | Confident | 24 Ų | 24 | 82.2 Ų | 82.2 | 15% | 0.145 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135.3 | -179.1 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | V78 V91 L96 I102 | V76-V78 HydrophobicContact CG1-CG2 4.38Å; V76-V78 PolarHBondContact O-N 3.35Å; V76-V91 PolarHBondContact N-O 3.32Å; V76-V91 PolarHBondContact O-N 3.18Å; V76-L96 HydrophobicContact CB-CD1 4.47Å; V76-L96 HydrophobicContact CB-CD2 4.49Å; V76-L96 HydrophobicContact CG1-CD2 4.36Å; V76-L96 HydrophobicContact CG2-CD1 4.16Å; V76-I102 HydrophobicContact CG1-CB 4.01Å; V76-I102 HydrophobicContact CG1-CG2 3.8Å |
| 77 | G | 89 | Confident | 75.4 | Confident | 15 Ų | 15 | 85.2 Ų | 85.2 | 16% | 0.155 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 114 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | M89 I102 A103 | G77-M89 CarbonylContact C-O 3.53Å; G77-M89 WeakPolarHBondContact CA-O 3.5Å; G77-I102 CarbonylContact O-C 3.6Å; G77-I102 WeakPolarHBondContact O-CA 3.41Å; G77-A103 PolarHBondContact O-N 2.92Å |
| 78 | V | 91 | Very high | 75.7 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.9 | -178.1 | -167.2 | 0 | 0 | 0 | 0 | 109 | V76 R80 F88 M89 V91 L96 D100 L101 I102 | V76-V78 HydrophobicContact CG1-CG2 4.38Å; V76-V78 PolarHBondContact O-N 3.35Å; V78-R80 HydrophobicContact CG1-CG 3.88Å; V78-F88 WeakPolarHBondContact O-CA 3.5Å; V78-M89 PolarHBondContact N-O 3.05Å; V78-M89 WeakPolarHBondContact O-CG 3.45Å; V78-M89 PolarHBondContact O-N 3.5Å; V78-V91 HydrophobicContact CB-CG2 4.37Å; V78-V91 HydrophobicContact CG2-CB 3.91Å; V78-V91 HydrophobicContact CG2-CG2 4.21Å; V78-L96 HydrophobicContact CG2-CD2 3.56Å; V78-D100 HydrophobicContact CG1-CB 3.85Å; V78-L101 CarbonylContact C-O 3.57Å; V78-L101 WeakPolarHBondContact CA-O 3.48Å; V78-I102 HydrophobicContact CG2-CG2 4.24Å |
| 79 | F | 88.2 | Confident | 76.3 | Confident | 61 Ų | 61 | 78.7 Ų | 78.7 | 27% | 0.268 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.1 | 171.5 | -175.6 | -98.9 | 0 | 0 | 0 | 109.3 | D86 F88 L101 | F79-D86 HydrophobicContact CE1-CB 4.46Å; F79-D86 HydrophobicContact CE2-CB 3.74Å; F79-D86 HydrophobicContact CZ-CB 3.46Å; F79-D86 VanDerWaalsContact CZ-CB 3.46Å; F79-F88 HydrophobicContact CB-CD1 4.03Å; F79-F88 HydrophobicContact CB-CE1 3.73Å; F79-F88 HydrophobicContact CB-CZ 4.05Å; F79-F88 AromaticContact CD2-CD2 3.94Å; F79-F88 HydrophobicContact CD2-CD2 3.94Å; F79-F88 HydrophobicContact CD2-CE1 4.3Å; F79-F88 AromaticContact CD2-CE2 3.68Å; F79-F88 HydrophobicContact CD2-CE2 3.68Å; F79-F88 HydrophobicContact CD2-CG 4.38Å; F79-F88 AromaticContact CD2-CZ 3.86Å; F79-F88 HydrophobicContact CD2-CZ 3.86Å; F79-F88 HydrophobicContact CE2-CE2 4.33Å; F79-F88 HydrophobicContact CG-CE1 4.46Å; F79-F88 HydrophobicContact CG-CZ 4.31Å; F79-L101 HydrophobicContact CB-CB 4.12Å; F79-L101 HydrophobicContact CB-CD2 4Å; F79-L101 HydrophobicContact CB-CG 4.33Å; F79-L101 HydrophobicContact CD1-CD2 4.01Å; F79-L101 HydrophobicContact CG-CD2 4.14Å; F79-L101 PolarHBondContact N-O 3.43Å |
| 80 | R | 84.4 | Confident | 77.3 | Confident | 63 Ų | 63 | 81.6 Ų | 81.6 | 24% | 0.238 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.3 | 177.5 | -68.8 | -177.9 | 176.7 | 166.5 | 0.7 | 108.4 | V78 Y82 D87 M89 E95 D100 | V78-R80 HydrophobicContact CG1-CG 3.88Å; R80-Y82 PolarHBondContact O-N 2.79Å; R80-D87 PolarHBondContact N-O 2.94Å; R80-M89 HydrophobicContact CB-CG 4.48Å; R80-M89 HydrophobicContact CB-SD 3.93Å; R80-M89 HydrophobicContact CG-SD 4.29Å; R80-E95 PolarHBondContact NH2-O 2.95Å; R80-D100 IonicContact CZ-OD1 3.74Å; R80-D100 IonicContact CZ-OD2 2.86Å; R80-D100 IonicContact NE-OD1 2.83Å; R80-D100 PolarHBondContact NE-OD1 3.26Å; R80-D100 IonicContact NE-OD2 3.53Å; R80-D100 IonicContact NH2-OD1 3.34Å; R80-D100 IonicContact NH2-OD2 3.41Å; R80-D100 PolarHBondContact NH2-OD2 2.98Å |
| 81 | C | 71 | Confident | 78.2 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 62% | 0.622 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 119.6 | 170.1 | -54.1 | 0 | 0 | 0 | 0 | 109.1 | D86 | C81-D86 PolarHBondContact SG-OD1 2.97Å |
| 82 | Y | 64.3 | Low | 79.1 | Confident | 163 Ų | 163 | 82.3 Ų | 82.3 | 64% | 0.639 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.7 | 170.3 | -160.4 | -91.6 | 0 | 0 | 0 | 108.2 | R80 G84 E85 | R80-Y82 PolarHBondContact O-N 2.79Å; Y82-G84 PolarHBondContact O-N 3.01Å; Y82-E85 PolarHBondContact N-O 3.47Å; Y82-E85 VanDerWaalsContact N-O 3.12Å; Y82-E85 PolarHBondContact O-N 3.29Å; Y82-E85 VanDerWaalsContact O-N 3.1Å |
| 83 | E | 60 | Low | 79.8 | Confident | 183 Ų | 183 | 78.8 Ų | 78.8 | 86% | 0.855 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 23.1 | -177.7 | -65.7 | -176.5 | 175.3 | 0 | 0 | 116 | ||
| 84 | G | 66 | Low | 80.2 | Confident | 73 Ų | 73 | 77.9 Ų | 77.9 | 75% | 0.753 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | 4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y82 | Y82-G84 PolarHBondContact O-N 3.01Š|
| 85 | E | 60.7 | Low | 80.5 | Confident | 157 Ų | 157 | 80.8 Ų | 80.8 | 73% | 0.734 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137.1 | 167.6 | -69.8 | -166.7 | 162.5 | 0 | 0 | 111.4 | Y82 D87 | Y82-E85 PolarHBondContact N-O 3.47Å; Y82-E85 VanDerWaalsContact N-O 3.12Å; Y82-E85 PolarHBondContact O-N 3.29Å; Y82-E85 VanDerWaalsContact O-N 3.1Å; E85-D87 PolarHBondContact O-N 3.18Å |
| 86 | D | 66.6 | Low | 80.7 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 98.8 | 178.7 | -83.7 | -3.1 | 0 | 0 | 0 | 109.4 | F79 C81 | F79-D86 HydrophobicContact CE1-CB 4.46Å; F79-D86 HydrophobicContact CE2-CB 3.74Å; F79-D86 HydrophobicContact CZ-CB 3.46Å; F79-D86 VanDerWaalsContact CZ-CB 3.46Å; C81-D86 PolarHBondContact SG-OD1 2.97Å |
| 87 | D | 78.6 | Confident | 80.9 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 159.5 | 176.1 | -159.2 | 9.8 | 0 | 0 | 0 | 112.9 | R80 E85 | R80-D87 PolarHBondContact N-O 2.94Å; E85-D87 PolarHBondContact O-N 3.18Å |
| 88 | F | 82.5 | Confident | 81 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 22% | 0.224 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 112.4 | 174.2 | -75.1 | -92.4 | 0 | 0 | 0 | 110.3 | V78 F79 A103 R177 L179 | V78-F88 WeakPolarHBondContact O-CA 3.5Å; F79-F88 HydrophobicContact CB-CD1 4.03Å; F79-F88 HydrophobicContact CB-CE1 3.73Å; F79-F88 HydrophobicContact CB-CZ 4.05Å; F79-F88 AromaticContact CD2-CD2 3.94Å; F79-F88 HydrophobicContact CD2-CD2 3.94Å; F79-F88 HydrophobicContact CD2-CE1 4.3Å; F79-F88 AromaticContact CD2-CE2 3.68Å; F79-F88 HydrophobicContact CD2-CE2 3.68Å; F79-F88 HydrophobicContact CD2-CG 4.38Å; F79-F88 AromaticContact CD2-CZ 3.86Å; F79-F88 HydrophobicContact CD2-CZ 3.86Å; F79-F88 HydrophobicContact CE2-CE2 4.33Å; F79-F88 HydrophobicContact CG-CE1 4.46Å; F79-F88 HydrophobicContact CG-CZ 4.31Å; F88-A103 HydrophobicContact CD1-CB 3.75Å; F88-A103 HydrophobicContact CE1-CB 3.62Å; F88-R177 VanDerWaalsContact CB-NH1 3.27Å; F88-L179 HydrophobicContact CE1-CD2 3.73Å; F88-L179 HydrophobicContact CZ-CD2 3.56Å |
| 89 | M | 85.9 | Confident | 81 | Confident | 71 Ų | 71 | 81.9 Ų | 81.9 | 35% | 0.35 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 142.7 | 175.2 | 56.1 | 174.9 | -43.3 | 0 | 0 | 111.5 | G77 V78 R80 V91 | G77-M89 CarbonylContact C-O 3.53Å; G77-M89 WeakPolarHBondContact CA-O 3.5Å; V78-M89 PolarHBondContact N-O 3.05Å; V78-M89 WeakPolarHBondContact O-CG 3.45Å; V78-M89 PolarHBondContact O-N 3.5Å; R80-M89 HydrophobicContact CB-CG 4.48Å; R80-M89 HydrophobicContact CB-SD 3.93Å; R80-M89 HydrophobicContact CG-SD 4.29Å; M89-V91 HydrophobicContact CB-CG2 4.43Å; M89-V91 HydrophobicContact CE-CG2 3.55Å; M89-V91 HydrophobicContact CG-CG2 3.69Å; M89-V91 PolarHBondContact O-N 2.91Å; M89-V91 HydrophobicContact SD-CG2 3.78Å |
| 90 | L | 87.7 | Confident | 81.2 | Confident | 134 Ų | 134 | 79.8 Ų | 79.8 | 70% | 0.702 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 108.8 | 171.8 | -76.8 | 166.9 | 0 | 0 | 0 | 109.7 | ||
| 91 | V | 88.1 | Confident | 81.6 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.024 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 152 | -177.2 | 176.3 | 0 | 0 | 0 | 0 | 109.6 | K75 V76 V78 M89 E95 | K75-V91 CarbonylContact C-O 3.58Å; K75-V91 WeakPolarHBondContact CA-O 3.5Å; V76-V91 PolarHBondContact N-O 3.32Å; V76-V91 PolarHBondContact O-N 3.18Å; V78-V91 HydrophobicContact CB-CG2 4.37Å; V78-V91 HydrophobicContact CG2-CB 3.91Å; V78-V91 HydrophobicContact CG2-CG2 4.21Å; M89-V91 HydrophobicContact CB-CG2 4.43Å; M89-V91 HydrophobicContact CE-CG2 3.55Å; M89-V91 HydrophobicContact CG-CG2 3.69Å; M89-V91 PolarHBondContact O-N 2.91Å; M89-V91 HydrophobicContact SD-CG2 3.78Å; V91-E95 HydrophobicContact CG1-CB 3.58Å; V91-E95 HydrophobicContact CG1-CG 4.29Å; V91-E95 WeakPolarHBondContact CG1-OE2 3.25Å |
| 92 | D | 88.5 | Confident | 82.6 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 31% | 0.305 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 136.8 | 171.1 | -163.2 | -58.5 | 0 | 0 | 0 | 110.5 | T94 E95 | D92-T94 PolarHBondContact O-N 3.3Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.23Å; D92-T94 PolarHBondContact OD1-N 3.05Å; D92-T94 PolarHBondContact OD1-OG1 3.43Å; D92-E95 PolarHBondContact O-N 3.47Å |
| 93 | S | 88.1 | Confident | 83.9 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -44.5 | -25.5 | 169.8 | 58.8 | 0 | 0 | 0 | 0 | 115.4 | S73 S74 E95 | S73-S93 WeakPolarHBondContact CA-OG 3.43Å; S73-S93 WeakPolarHBondContact CB-OG 3.13Å; S74-S93 PolarHBondContact N-OG 3.38Å; S74-S93 VanDerWaalsContact N-OG 3.1Å; S74-S93 WeakPolarHBondContact O-CB 3.46Å; S74-S93 PolarHBondContact O-N 2.93Å; S74-S93 PolarHBondContact O-OG 3.42Å; S93-E95 VanDerWaalsContact C-N 3.27Å; S93-E95 PolarHBondContact O-N 3Å |
| 94 | T | 87 | Confident | 85.4 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -66.5 | -26.5 | 176.1 | 55 | 0 | 0 | 0 | 0 | 113.9 | M1 D92 | M1-T94 HydrophobicContact CB-CG2 3.98Å; M1-T94 HydrophobicContact CG-CG2 3.87Å; M1-T94 HydrophobicContact SD-CG2 3.67Å; D92-T94 PolarHBondContact O-N 3.3Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.23Å; D92-T94 PolarHBondContact OD1-N 3.05Å; D92-T94 PolarHBondContact OD1-OG1 3.43Å |
| 95 | E | 88.3 | Confident | 86.4 | Confident | 113 Ų | 113 | 58.5 Ų | 58.5 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -96.7 | 3.4 | -176.4 | -59.4 | -179.7 | -171.5 | 0 | 0 | 113.4 | R80 V91 D92 S93 | R80-E95 PolarHBondContact NH2-O 2.95Å; V91-E95 HydrophobicContact CG1-CB 3.58Å; V91-E95 HydrophobicContact CG1-CG 4.29Å; V91-E95 WeakPolarHBondContact CG1-OE2 3.25Å; D92-E95 PolarHBondContact O-N 3.47Å; S93-E95 VanDerWaalsContact C-N 3.27Å; S93-E95 PolarHBondContact O-N 3Å |
| 96 | L | 90.7 | Very high | 87.5 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | trans | -67.6 | 133.1 | 175.5 | -68.4 | 174.5 | 0 | 0 | 0 | 111 | V76 V78 I102 C113 T185 | V76-L96 HydrophobicContact CB-CD1 4.47Å; V76-L96 HydrophobicContact CB-CD2 4.49Å; V76-L96 HydrophobicContact CG1-CD2 4.36Å; V76-L96 HydrophobicContact CG2-CD1 4.16Å; V78-L96 HydrophobicContact CG2-CD2 3.56Å; L96-I102 HydrophobicContact CD2-CG2 3.97Å; L96-C113 HydrophobicContact CD1-CB 4.45Å; L96-T185 HydrophobicContact CB-CG2 4.45Å | ||
| 97 | V | 91.7 | Very high | 88 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | trans | -121.4 | 151.9 | 174.9 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | G99 D100 | V97-G99 PolarHBondContact O-N 3.39Å; V97-D100 WeakPolarHBondContact CG2-OD2 3.42Å; V97-D100 PolarHBondContact N-OD2 2.99Å; V97-D100 WeakPolarHBondContact O-CB 3.32Å; V97-D100 PolarHBondContact O-N 3.24Å; V97-D100 VanDerWaalsContact O-N 3.13Å | ||
| 98 | P | 92.5 | Very high | 88.2 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 132.8 | 169.7 | -25.9 | 36 | 0 | 0 | 0 | 111.3 | V182 I183 | P98-V182 CarbonylContact C-O 3.58Å; P98-V182 WeakPolarHBondContact CA-O 3.13Å; P98-I183 WeakPolarHBondContact CB-O 3.32Å |
| 99 | G | 90.2 | Very high | 88.5 | Confident | 56 Ų | 56 | 50.4 Ų | 50.4 | 58% | 0.577 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.4 | -15.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V97 V182 | V97-G99 PolarHBondContact O-N 3.39Å; G99-V182 PolarHBondContact N-O 3.16Å |
| 100 | D | 92.1 | Very high | 88.6 | Confident | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | trans | -60.7 | 137.8 | 173.2 | -82.3 | -25.8 | 0 | 0 | 0 | 110.7 | V78 R80 V97 V182 | V78-D100 HydrophobicContact CG1-CB 3.85Å; R80-D100 IonicContact CZ-OD1 3.74Å; R80-D100 IonicContact CZ-OD2 2.86Å; R80-D100 IonicContact NE-OD1 2.83Å; R80-D100 PolarHBondContact NE-OD1 3.26Å; R80-D100 IonicContact NE-OD2 3.53Å; R80-D100 IonicContact NH2-OD1 3.34Å; R80-D100 IonicContact NH2-OD2 3.41Å; R80-D100 PolarHBondContact NH2-OD2 2.98Å; V97-D100 WeakPolarHBondContact CG2-OD2 3.42Å; V97-D100 PolarHBondContact N-OD2 2.99Å; V97-D100 WeakPolarHBondContact O-CB 3.32Å; V97-D100 PolarHBondContact O-N 3.24Å; V97-D100 VanDerWaalsContact O-N 3.13Å; D100-V182 HydrophobicContact CB-CB 4.4Å; D100-V182 HydrophobicContact CB-CG2 4.07Å; D100-V182 WeakPolarHBondContact O-CG2 3.32Å; D100-V182 PolarHBondContact O-N 3.12Å | ||
| 101 | L | 92.5 | Very high | 88.7 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.4 | 173.9 | -176.2 | 74 | 0 | 0 | 0 | 109 | V78 F79 L118 L179 | V78-L101 CarbonylContact C-O 3.57Å; V78-L101 WeakPolarHBondContact CA-O 3.48Å; F79-L101 HydrophobicContact CB-CB 4.12Å; F79-L101 HydrophobicContact CB-CD2 4Å; F79-L101 HydrophobicContact CB-CG 4.33Å; F79-L101 HydrophobicContact CD1-CD2 4.01Å; F79-L101 HydrophobicContact CG-CD2 4.14Å; F79-L101 PolarHBondContact N-O 3.43Å; L101-L118 HydrophobicContact CD1-CD1 3.75Å; L101-L179 HydrophobicContact CD1-CB 4.18Å; L101-L179 HydrophobicContact CD2-CD1 4.32Å |
| 102 | I | 93 | Very high | 88.7 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141.1 | -175.9 | 60.7 | 169.3 | 0 | 0 | 0 | 111.5 | V76 G77 V78 L96 I104 M111 A115 L179 A180 V182 | V76-I102 HydrophobicContact CG1-CB 4.01Å; V76-I102 HydrophobicContact CG1-CG2 3.8Å; G77-I102 CarbonylContact O-C 3.6Å; G77-I102 WeakPolarHBondContact O-CA 3.41Å; V78-I102 HydrophobicContact CG2-CG2 4.24Å; L96-I102 HydrophobicContact CD2-CG2 3.97Å; I102-I104 HydrophobicContact CD1-CD1 3.87Å; I102-I104 HydrophobicContact CG1-CD1 4.21Å; I102-M111 HydrophobicContact CD1-CE 4.15Å; I102-A115 HydrophobicContact CD1-CB 3.93Å; I102-L179 WeakPolarHBondContact O-CA 3.28Å; I102-A180 HydrophobicContact CD1-CB 4.38Å; I102-A180 HydrophobicContact CG1-CB 4Å; I102-A180 VanDerWaalsContact CG1-O 3.25Å; I102-A180 WeakPolarHBondContact CG1-O 3.48Å; I102-A180 PolarHBondContact N-O 3.47Å; I102-A180 PolarHBondContact O-N 2.87Å; I102-V182 HydrophobicContact CD1-CG2 4.25Å; I102-V182 HydrophobicContact CG1-CG2 4.36Å; I102-V182 HydrophobicContact CG2-CG2 3.74Å |
| 103 | A | 91 | Very high | 88.9 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G77 F88 V178 L179 | G77-A103 PolarHBondContact O-N 2.92Å; F88-A103 HydrophobicContact CD1-CB 3.75Å; F88-A103 HydrophobicContact CE1-CB 3.62Å; A103-V178 WeakPolarHBondContact CA-O 3.36Å; A103-L179 HydrophobicContact CB-CD2 4.33Å |
| 104 | I | 91.1 | Very high | 89.1 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.7 | 175.7 | -50.6 | -57 | 0 | 0 | 0 | 108.7 | I102 M111 L161 V167 T170 V178 A180 | I102-I104 HydrophobicContact CD1-CD1 3.87Å; I102-I104 HydrophobicContact CG1-CD1 4.21Å; I104-M111 HydrophobicContact CD1-CE 4.49Å; I104-M111 HydrophobicContact CD1-SD 3.93Å; I104-L161 HydrophobicContact CD1-CD1 4.08Å; I104-L161 HydrophobicContact CG1-CD1 4.09Å; I104-V167 HydrophobicContact CG2-CB 4.3Å; I104-V167 HydrophobicContact CG2-CG1 3.89Å; I104-V167 HydrophobicContact CG2-CG2 4.11Å; I104-T170 HydrophobicContact CB-CG2 4.02Å; I104-T170 HydrophobicContact CG2-CG2 3.47Å; I104-T170 VanDerWaalsContact CG2-CG2 3.47Å; I104-V178 HydrophobicContact CB-CB 4.39Å; I104-V178 HydrophobicContact CB-CG1 4.15Å; I104-V178 HydrophobicContact CG1-CG1 4.38Å; I104-V178 PolarHBondContact N-O 3Å; I104-A180 HydrophobicContact CD1-CB 4.48Å; I104-A180 HydrophobicContact CG1-CB 4.43Å |
| 105 | P | 88.1 | Confident | 89.4 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 147.9 | -178.3 | 27.9 | -35 | 0 | 0 | 0 | 112 | S107 G108 C109 T170 | P105-S107 VanDerWaalsContact C-N 3.27Å; P105-S107 PolarHBondContact O-N 3.38Å; P105-G108 WeakPolarHBondContact CG-O 3.49Å; P105-G108 PolarHBondContact O-N 2.91Å; P105-C109 HydrophobicContact CG-CB 3.7Å; P105-T170 WeakPolarHBondContact O-CG2 3.25Å |
| 106 | S | 82.3 | Confident | 89.6 | Confident | 93 Ų | 93 | 34.1 Ų | 34.1 | 65% | 0.65 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28 | 179.6 | 49.9 | 0 | 0 | 0 | 0 | 113.9 | G108 T170 | S106-G108 PolarHBondContact O-N 3Å; S106-T170 WeakPolarHBondContact CA-OG1 3.31Å |
| 107 | S | 79 | Confident | 89.7 | Confident | 104 Ų | 104 | 33.7 Ų | 33.7 | 73% | 0.727 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -0.4 | 176 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | P105 | P105-S107 VanDerWaalsContact C-N 3.27Å; P105-S107 PolarHBondContact O-N 3.38Å |
| 108 | G | 82.2 | Confident | 89.5 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | trans | 83.5 | 162.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P105 S106 V167 | P105-G108 WeakPolarHBondContact CG-O 3.49Å; P105-G108 PolarHBondContact O-N 2.91Å; S106-G108 PolarHBondContact O-N 3Å; G108-V167 CarbonylContact C-O 3.56Å; G108-V167 WeakPolarHBondContact CA-O 3.48Å | ||
| 109 | C | 88.4 | Confident | 89.2 | Confident | 36 Ų | 36 | 33.8 Ų | 33.8 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 156.8 | 178.4 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | P105 V167 | P105-C109 HydrophobicContact CG-CB 3.7Å; C109-V167 PolarHBondContact N-O 3.42Å; C109-V167 PolarHBondContact O-N 2.94Å |
| 110 | L | 87.7 | Confident | 89 | Confident | 63 Ų | 63 | 32.2 Ų | 32.2 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 117.9 | 167.8 | -177.7 | 70 | 0 | 0 | 0 | 110.2 | I72 Q112 | I72-L110 HydrophobicContact CG2-CD2 4.36Å; L110-Q112 PolarHBondContact O-N 2.8Å; L110-Q112 PolarHBondContact O-NE2 3.39Å |
| 111 | M | 90.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | trans | -66.1 | 126.3 | 178 | -71 | -60.7 | -59 | 0 | 0 | 111.3 | I102 I104 A115 L161 F162 G164 T165 V167 | I102-M111 HydrophobicContact CD1-CE 4.15Å; I104-M111 HydrophobicContact CD1-CE 4.49Å; I104-M111 HydrophobicContact CD1-SD 3.93Å; M111-A115 HydrophobicContact CE-CB 3.97Å; M111-L161 HydrophobicContact CE-CB 3.58Å; M111-L161 HydrophobicContact CE-CD1 4.06Å; M111-L161 HydrophobicContact CE-CG 4.49Å; M111-L161 HydrophobicContact CG-CB 4.25Å; M111-L161 HydrophobicContact SD-CB 4.11Å; M111-L161 HydrophobicContact SD-CD1 4.09Å; M111-F162 WeakPolarHBondContact CB-O 3.35Å; M111-G164 PolarHBondContact O-N 2.75Å; M111-T165 WeakPolarHBondContact CB-O 2.82Å; M111-T165 PolarHBondContact N-O 2.95Å; M111-V167 HydrophobicContact CG-CG2 3.85Å; M111-V167 HydrophobicContact SD-CG2 3.94Å | ||
| 112 | Q | 88.3 | Confident | 88.4 | Confident | 33 Ų | 33 | 32.3 Ų | 32.3 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | trans | -99.1 | -17.2 | -179.9 | -59.4 | -59.8 | -35.4 | 0 | 0 | 113.2 | I72 L110 S163 | I72-Q112 PolarHBondContact O-OE1 3.47Å; L110-Q112 PolarHBondContact O-N 2.8Å; L110-Q112 PolarHBondContact O-NE2 3.39Å; Q112-S163 PolarHBondContact O-OG 3.31Å | ||
| 113 | C | 91.4 | Very high | 88.1 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -134.6 | 166.2 | -177.5 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | L96 S163 V182 R184 T185 | L96-C113 HydrophobicContact CD1-CB 4.45Å; C113-S163 PolarHBondContact O-N 3.17Å; C113-V182 HydrophobicContact CB-CG1 3.96Å; C113-R184 WeakPolarHBondContact CB-O 3.46Å; C113-T185 HydrophobicContact CB-CG2 4.23Å |
| 114 | D | 92.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.2 | 168.3 | -62.4 | -8.4 | 0 | 0 | 0 | 107.3 | F153 L161 S163 I183 R184 T189 T190 | D114-F153 HydrophobicContact CB-CE2 4.43Å; D114-L161 CarbonylContact C-O 3.47Å; D114-L161 WeakPolarHBondContact CA-O 3.29Å; D114-S163 VanDerWaalsContact OD1-CB 3.25Å; D114-S163 WeakPolarHBondContact OD1-CB 3.26Å; D114-S163 PolarHBondContact OD1-N 3.08Å; D114-I183 PolarHBondContact O-N 2.81Å; D114-R184 HydrophobicContact CB-CB 4.07Å; D114-R184 PolarHBondContact N-O 2.89Å; D114-R184 VanDerWaalsContact N-O 3.09Å; D114-R184 PolarHBondContact O-N 3.44Å; D114-R184 VanDerWaalsContact O-N 3.15Å; D114-T189 VanDerWaalsContact OD2-CA 3.3Å; D114-T189 WeakPolarHBondContact OD2-CA 3.26Å; D114-T190 PolarHBondContact OD2-N 3.29Å; D114-T190 PolarHBondContact OD2-OG1 3.24Å |
| 115 | A | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111 | I102 M111 I160 L161 A180 V181 | I102-A115 HydrophobicContact CD1-CB 3.93Å; M111-A115 HydrophobicContact CE-CB 3.97Å; A115-I160 CarbonylContact O-C 3.45Å; A115-I160 WeakPolarHBondContact O-CA 3.49Å; A115-L161 PolarHBondContact N-O 3.4Å; A115-L161 PolarHBondContact O-N 3.06Å; A115-A180 HydrophobicContact CB-CB 4.04Å; A115-V181 CarbonylContact C-O 3.59Å; A115-V181 WeakPolarHBondContact CA-O 2.95Å; A115-V181 WeakPolarHBondContact CB-O 3.49Å |
| 116 | V | 93.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.9 | 177 | 160.4 | 0 | 0 | 0 | 0 | 110.5 | L118 L141 F151 H159 I160 A180 V181 I183 | V116-L118 PolarHBondContact O-N 3.21Å; V116-L141 HydrophobicContact CG1-CD1 3.21Å; V116-L141 HydrophobicContact CG1-CG 3.7Å; V116-F151 HydrophobicContact CG2-CE1 4.29Å; V116-F151 HydrophobicContact CG2-CE2 3.98Å; V116-F151 HydrophobicContact CG2-CZ 3.55Å; V116-H159 WeakPolarHBondContact CA-O 3.2Å; V116-I160 HydrophobicContact CG2-CG1 3.75Å; V116-A180 CarbonylContact O-C 3.52Å; V116-A180 WeakPolarHBondContact O-CA 3.27Å; V116-A180 WeakPolarHBondContact O-CB 3.15Å; V116-V181 HydrophobicContact CB-CG1 4.08Å; V116-V181 HydrophobicContact CG1-CG1 4.48Å; V116-V181 PolarHBondContact N-O 2.92Å; V116-V181 PolarHBondContact O-N 2.93Å; V116-I183 HydrophobicContact CB-CD1 3.81Å; V116-I183 HydrophobicContact CB-CG1 4.4Å; V116-I183 HydrophobicContact CG2-CD1 3.2Å; V116-I183 HydrophobicContact CG2-CG1 4.16Å |
| 117 | L | 91.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 123.6 | -177.1 | -167.9 | 59.5 | 0 | 0 | 0 | 110.4 | G120 C122 K138 P140 L141 H159 L161 V178 A180 | L117-G120 WeakPolarHBondContact CD2-O 3.49Å; L117-G120 WeakPolarHBondContact CG-O 3.41Å; L117-C122 HydrophobicContact CD2-CB 4.29Å; L117-K138 HydrophobicContact CD2-CB 4.03Å; L117-K138 WeakPolarHBondContact CD2-O 3.33Å; L117-P140 WeakPolarHBondContact O-CA 3.28Å; L117-L141 PolarHBondContact O-N 3.31Å; L117-H159 PolarHBondContact N-O 3.16Å; L117-L161 HydrophobicContact CD1-CD1 4.39Å; L117-V178 HydrophobicContact CD1-CG1 3.71Å; L117-A180 HydrophobicContact CD1-CB 4.49Å |
| 118 | L | 89.1 | Confident | 85.2 | Confident | 72 Ų | 72 | 25.7 Ų | 25.7 | 38% | 0.377 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -39.2 | -179.7 | -64.2 | 179.6 | 0 | 0 | 0 | 112.1 | L101 V116 P140 L141 L179 V181 | L101-L118 HydrophobicContact CD1-CD1 3.75Å; V116-L118 PolarHBondContact O-N 3.21Å; L118-P140 WeakPolarHBondContact O-CB 3.43Å; L118-L141 HydrophobicContact CD2-CD1 4.45Å; L118-L179 PolarHBondContact N-O 2.76Å; L118-V181 HydrophobicContact CD1-CB 3.96Å; L118-V181 HydrophobicContact CD1-CG1 4.12Å; L118-V181 HydrophobicContact CD2-CG1 4.18Å; L118-V181 HydrophobicContact CG-CB 4.44Å; L118-V181 HydrophobicContact CG-CG1 4.16Å |
| 119 | M | 86.3 | Confident | 84.4 | Confident | 85 Ų | 85 | 26.5 Ų | 26.5 | 42% | 0.419 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 135.4 | -176.9 | -63.6 | -176.9 | 70.4 | 0 | 0 | 111.2 | K176 V178 L179 | M119-K176 HydrophobicContact CE-CD 4.28Å; M119-V178 VanDerWaalsContact O-CA 3.29Å; M119-V178 WeakPolarHBondContact O-CA 3.5Å; M119-V178 VanDerWaalsContact O-CG1 3.24Å; M119-V178 WeakPolarHBondContact O-CG1 3.45Å; M119-L179 HydrophobicContact CB-CB 4.31Å; M119-L179 PolarHBondContact N-O 3.34Å; M119-L179 VanDerWaalsContact N-O 3.15Å; M119-L179 PolarHBondContact O-N 3.29Å; M119-L179 HydrophobicContact SD-CD1 3.94Å |
| 120 | G | 84.1 | Confident | 83.2 | Confident | 23 Ų | 23 | 26.7 Ų | 26.7 | 24% | 0.237 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 82.5 | 167.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L117 P140 | L117-G120 WeakPolarHBondContact CD2-O 3.49Å; L117-G120 WeakPolarHBondContact CG-O 3.41Å; G120-P140 WeakPolarHBondContact O-CD 3.36Å |
| 121 | N | 87.3 | Confident | 81.7 | Confident | 60 Ų | 60 | 25 Ų | 25 | 32% | 0.321 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 146.9 | 175.8 | -62.9 | -20.6 | 0 | 0 | 0 | 109.5 | K138 P140 T170 R171 | N121-K138 WeakPolarHBondContact CA-O 3.34Å; N121-P140 WeakPolarHBondContact OD1-CD 3.37Å; N121-T170 CarbonylContact O-C 3.58Å; N121-T170 WeakPolarHBondContact O-CA 3.2Å; N121-R171 HydrophobicContact CB-CB 4.18Å; N121-R171 PolarHBondContact N-O 3.01Å; N121-R171 PolarHBondContact O-N 3.4Å |
| 122 | C | 86.6 | Confident | 80 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.4 | 175.6 | -68.6 | 0 | 0 | 0 | 0 | 109.9 | L117 V124 T137 K138 L161 V167 V178 | L117-C122 HydrophobicContact CD2-CB 4.29Å; C122-V124 HydrophobicContact CB-CG2 3.91Å; C122-T137 CarbonylContact O-C 3.57Å; C122-T137 WeakPolarHBondContact O-CA 3.3Å; C122-K138 HydrophobicContact CB-CB 4.36Å; C122-K138 PolarHBondContact N-O 3.44Å; C122-K138 PolarHBondContact O-N 3.11Å; C122-L161 HydrophobicContact CB-CD2 3.96Å; C122-V167 HydrophobicContact CB-CG1 4.29Å; C122-V178 VanDerWaalsContact SG-CG1 3.59Å |
| 123 | I | 86.2 | Confident | 78.5 | Confident | 22 Ų | 22 | 31.9 Ų | 31.9 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.1 | 167.1 | -59 | 177.9 | 0 | 0 | 0 | 107 | P135 I168 Q169 | I123-P135 HydrophobicContact CG2-CB 3.73Å; I123-I168 HydrophobicContact CG2-CB 4.49Å; I123-I168 HydrophobicContact CG2-CD1 4.33Å; I123-I168 PolarHBondContact O-N 3.16Å; I123-Q169 PolarHBondContact N-O 3.25Å; I123-Q169 PolarHBondContact O-N 3Å |
| 124 | V | 85.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133 | -170.5 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | C122 E126 P135 I136 K138 L161 T165 V167 | C122-V124 HydrophobicContact CB-CG2 3.91Å; V124-E126 HydrophobicContact CB-CG 4.3Å; V124-E126 HydrophobicContact CG1-CG 3.82Å; V124-P135 WeakPolarHBondContact O-CA 3.49Å; V124-I136 PolarHBondContact N-O 3.09Å; V124-I136 PolarHBondContact O-N 3.31Å; V124-K138 HydrophobicContact CB-CG 4.41Å; V124-K138 HydrophobicContact CG2-CG 3.75Å; V124-L161 HydrophobicContact CG2-CD2 3.59Å; V124-T165 HydrophobicContact CG1-CG2 4.36Å; V124-T165 WeakPolarHBondContact CG1-OG1 3.49Å; V124-V167 HydrophobicContact CG2-CG2 4.33Å |
| 125 | N | 78.5 | Confident | 76.1 | Confident | 49 Ų | 49 | 38 Ų | 38 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 106 | 165.8 | -172.3 | -16.1 | 0 | 0 | 0 | 109.2 | S127 S166 I168 | N125-S127 WeakPolarHBondContact OD1-CB 3.33Å; N125-S127 PolarHBondContact OD1-N 3.33Å; N125-S127 PolarHBondContact OD1-OG 3.32Å; N125-S166 PolarHBondContact N-O 3.32Å; N125-S166 PolarHBondContact O-N 3.35Å; N125-I168 HydrophobicContact CB-CD1 4.05Å; N125-I168 HydrophobicContact CB-CG1 4.1Å |
| 126 | E | 77.4 | Confident | 75.5 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | trans | -96 | 9.9 | 179.4 | -55.1 | -157.7 | 144.4 | 0 | 0 | 113.6 | V124 S128 L129 T130 I136 K138 F162 T165 | V124-E126 HydrophobicContact CB-CG 4.3Å; V124-E126 HydrophobicContact CG1-CG 3.82Å; E126-S128 PolarHBondContact O-N 3.46Å; E126-L129 PolarHBondContact O-N 3.42Å; E126-T130 HydrophobicContact CB-CG2 4.02Å; E126-T130 PolarHBondContact O-N 2.93Å; E126-T130 PolarHBondContact O-OG1 3.14Å; E126-T130 VanDerWaalsContact O-OG1 3.05Å; E126-I136 HydrophobicContact CB-CD1 4.38Å; E126-I136 HydrophobicContact CG-CD1 4.32Å; E126-K138 VanDerWaalsContact CD-CE 3.47Å; E126-K138 WeakPolarHBondContact OE1-CE 3.31Å; E126-K138 IonicContact OE1-NZ 3.32Å; E126-K138 PolarHBondContact OE1-NZ 3.31Å; E126-K138 IonicContact OE2-NZ 2.76Å; E126-K138 PolarHBondContact OE2-NZ 3.46Å; E126-K138 VanDerWaalsContact OE2-NZ 3.11Å; E126-F162 WeakPolarHBondContact OE1-CD2 3.47Å; E126-T165 HydrophobicContact CB-CG2 4.21Å; E126-T165 HydrophobicContact CG-CG2 3.97Å | ||
| 127 | S | 65.3 | Low | 75.2 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -53.1 | -28.8 | -179.2 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | N125 L129 G131 E132 | N125-S127 WeakPolarHBondContact OD1-CB 3.33Å; N125-S127 PolarHBondContact OD1-N 3.33Å; N125-S127 PolarHBondContact OD1-OG 3.32Å; S127-L129 VanDerWaalsContact C-N 3.28Å; S127-L129 PolarHBondContact O-N 3.47Å; S127-G131 WeakPolarHBondContact O-CA 3.3Å; S127-G131 PolarHBondContact O-N 2.91Å; S127-E132 WeakPolarHBondContact CA-O 3.5Å; S127-E132 VanDerWaalsContact CB-O 3.27Å; S127-E132 WeakPolarHBondContact CB-O 3.25Å; S127-E132 PolarHBondContact N-O 3.46Å |
| 128 | S | 64.6 | Low | 75 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.1 | -14.6 | 175.8 | 56.4 | 0 | 0 | 0 | 0 | 115 | E126 G164 A671 | E126-S128 PolarHBondContact O-N 3.46Å; S128-G164 WeakPolarHBondContact CB-O 3.45Å; S128-G164 PolarHBondContact OG-O 3.05Å; S128-A671 WeakPolarHBondContact O-CB 3.21Å |
| 129 | L | 65.4 | Low | 75 | Confident | 30 Ų | 30 | 43.8 Ų | 43.8 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -117.7 | -44.7 | 176.2 | -75.9 | 165.7 | 0 | 0 | 0 | 112.1 | E126 S127 F162 T165 T190 A671 | E126-L129 PolarHBondContact O-N 3.42Å; S127-L129 VanDerWaalsContact C-N 3.28Å; S127-L129 PolarHBondContact O-N 3.47Å; L129-F162 HydrophobicContact CD1-CB 3.17Å; L129-F162 HydrophobicContact CD1-CD2 4.29Å; L129-F162 HydrophobicContact CD1-CG 3.88Å; L129-T165 HydrophobicContact CD1-CG2 3.43Å; L129-T165 VanDerWaalsContact CD1-CG2 3.43Å; L129-T165 HydrophobicContact CG-CG2 4.29Å; L129-T190 HydrophobicContact CD2-CG2 3.9Å; L129-A671 CarbonylContact O-C 3.57Å; L129-A671 WeakPolarHBondContact O-CB 3.44Å |
| 130 | T | 62.7 | Low | 75 | Confident | 41 Ų | 41 | 41.5 Ų | 41.5 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -93.6 | -16.1 | -175.6 | 64.4 | 0 | 0 | 0 | 0 | 112.9 | E126 E132 N672 | E126-T130 HydrophobicContact CB-CG2 4.02Å; E126-T130 PolarHBondContact O-N 2.93Å; E126-T130 PolarHBondContact O-OG1 3.14Å; E126-T130 VanDerWaalsContact O-OG1 3.05Å; T130-E132 PolarHBondContact O-N 3.29Å; T130-E132 VanDerWaalsContact O-N 3.14Å; T130-E132 PolarHBondContact OG1-N 3.22Å; T130-N672 WeakPolarHBondContact O-CB 3.46Å |
| 131 | G | 55 | Low | 74.9 | Confident | 26 Ų | 26 | 43 Ų | 43 | 27% | 0.268 | 25% | 0.249 | S | C | . | . | trans | 69.6 | -4.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S127 | S127-G131 WeakPolarHBondContact O-CA 3.3Å; S127-G131 PolarHBondContact O-N 2.91Å | ||
| 132 | E | 56.3 | Low | 74.4 | Confident | 113 Ų | 113 | 44.3 Ų | 44.3 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | trans | -82.1 | 128.7 | 178.4 | -62.9 | -172.5 | 164.8 | 0 | 0 | 110.1 | S127 T130 L134 | S127-E132 WeakPolarHBondContact CA-O 3.5Å; S127-E132 VanDerWaalsContact CB-O 3.27Å; S127-E132 WeakPolarHBondContact CB-O 3.25Å; S127-E132 PolarHBondContact N-O 3.46Å; T130-E132 PolarHBondContact O-N 3.29Å; T130-E132 VanDerWaalsContact O-N 3.14Å; T130-E132 PolarHBondContact OG1-N 3.22Å; E132-L134 VanDerWaalsContact C-N 3.27Å; E132-L134 PolarHBondContact O-N 3.27Å | ||
| 133 | S | 56.4 | Low | 73.3 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 49% | 0.49 | 31% | 0.306 | S | S | . | . | trans | -79 | -9.8 | -179.4 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 134 | L | 61.7 | Low | 71.9 | Confident | 81 Ų | 81 | 55.1 Ų | 55.1 | 42% | 0.424 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -75.8 | 129.9 | -177.3 | -73.4 | 165.4 | 0 | 0 | 0 | 110.2 | E132 I136 P335 | E132-L134 VanDerWaalsContact C-N 3.27Å; E132-L134 PolarHBondContact O-N 3.27Å; L134-I136 PolarHBondContact O-N 3.35Å; L134-P335 VanDerWaalsContact CD2-CD 3.4Å; L134-P335 HydrophobicContact CD2-CG 3.85Å |
| 135 | P | 72 | Confident | 70.2 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 34% | 0.338 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 128.4 | 173.5 | 28 | -32.5 | 0 | 0 | 0 | 110.3 | I123 V124 I168 | I123-P135 HydrophobicContact CG2-CB 3.73Å; V124-P135 WeakPolarHBondContact O-CA 3.49Å; P135-I168 HydrophobicContact CB-CD1 3.82Å |
| 136 | I | 80.7 | Confident | 68.7 | Low | 49 Ų | 49 | 64.8 Ų | 64.8 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.8 | -178.6 | -59.8 | 173.8 | 0 | 0 | 0 | 109 | V124 E126 L134 | V124-I136 PolarHBondContact N-O 3.09Å; V124-I136 PolarHBondContact O-N 3.31Å; E126-I136 HydrophobicContact CB-CD1 4.38Å; E126-I136 HydrophobicContact CG-CD1 4.32Å; L134-I136 PolarHBondContact O-N 3.35Å |
| 137 | T | 85.7 | Confident | 67.6 | Low | 70 Ų | 70 | 74.2 Ų | 74.2 | 43% | 0.429 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 119.8 | 172.6 | -58.8 | 0 | 0 | 0 | 0 | 110 | C122 | C122-T137 CarbonylContact O-C 3.57Å; C122-T137 WeakPolarHBondContact O-CA 3.3Å |
| 138 | K | 88.5 | Confident | 67.1 | Low | 4 Ų | 4 | 79.3 Ų | 79.3 | 2% | 0.017 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 136.9 | 172.7 | -59.6 | -67 | -174 | 175.5 | 0 | 110.1 | L117 N121 C122 V124 E126 P157 R158 I160 L161 | L117-K138 HydrophobicContact CD2-CB 4.03Å; L117-K138 WeakPolarHBondContact CD2-O 3.33Å; N121-K138 WeakPolarHBondContact CA-O 3.34Å; C122-K138 HydrophobicContact CB-CB 4.36Å; C122-K138 PolarHBondContact N-O 3.44Å; C122-K138 PolarHBondContact O-N 3.11Å; V124-K138 HydrophobicContact CB-CG 4.41Å; V124-K138 HydrophobicContact CG2-CG 3.75Å; E126-K138 VanDerWaalsContact CD-CE 3.47Å; E126-K138 WeakPolarHBondContact OE1-CE 3.31Å; E126-K138 IonicContact OE1-NZ 3.32Å; E126-K138 PolarHBondContact OE1-NZ 3.31Å; E126-K138 IonicContact OE2-NZ 2.76Å; E126-K138 PolarHBondContact OE2-NZ 3.46Å; E126-K138 VanDerWaalsContact OE2-NZ 3.11Å; K138-P157 PolarHBondContact NZ-O 3.22Å; K138-R158 WeakPolarHBondContact CA-O 3.07Å; K138-R158 WeakPolarHBondContact CD-O 3.34Å; K138-I160 WeakPolarHBondContact CD-O 3.46Å; K138-I160 WeakPolarHBondContact CE-O 3.44Å; K138-I160 PolarHBondContact NZ-O 2.93Å; K138-L161 HydrophobicContact CB-CD2 4.17Å; K138-L161 HydrophobicContact CG-CD2 3.97Å |
| 139 | I | 88.1 | Confident | 66.9 | Low | 72 Ų | 72 | 82.6 Ų | 82.6 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | trans | -113.9 | 148.4 | -177.3 | 50.9 | 165.1 | 0 | 0 | 0 | 110.4 | R158 H159 | I139-R158 HydrophobicContact CG1-CB 4.4Å; I139-R158 PolarHBondContact N-O 2.83Å; I139-R158 VanDerWaalsContact N-O 3.1Å; I139-H159 WeakPolarHBondContact O-CA 3.03Å; I139-H159 PolarHBondContact O-ND1 3.09Å | ||
| 140 | P | 87.2 | Confident | 66.9 | Low | 37 Ų | 37 | 87.4 Ų | 87.4 | 24% | 0.24 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 154.1 | 178 | 27.8 | -34.1 | 0 | 0 | 0 | 110.6 | L117 L118 G120 N121 H159 | L117-P140 WeakPolarHBondContact O-CA 3.28Å; L118-P140 WeakPolarHBondContact O-CB 3.43Å; G120-P140 WeakPolarHBondContact O-CD 3.36Å; N121-P140 WeakPolarHBondContact OD1-CD 3.37Å; P140-H159 PolarHBondContact O-CE1 3.44Å; P140-H159 PolarHBondContact O-ND1 3.4Å |
| 141 | L | 82.7 | Confident | 67.3 | Low | 55 Ų | 55 | 89.5 Ų | 89.5 | 29% | 0.288 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 129.3 | 170.9 | -90 | 169.1 | 0 | 0 | 0 | 110 | V116 L117 L118 N143 F151 H159 | V116-L141 HydrophobicContact CG1-CD1 3.21Å; V116-L141 HydrophobicContact CG1-CG 3.7Å; L117-L141 PolarHBondContact O-N 3.31Å; L118-L141 HydrophobicContact CD2-CD1 4.45Å; L141-N143 PolarHBondContact O-N 3.44Å; L141-F151 HydrophobicContact CD2-CD2 4.16Å; L141-F151 HydrophobicContact CD2-CE2 4.31Å; L141-H159 HydrophobicContact CD2-CB 4.31Å; L141-H159 HydrophobicContact CG-CB 4.22Å |
| 142 | P | 76.2 | Confident | 68 | Low | 86 Ų | 86 | 91.6 Ų | 91.6 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 123.3 | 179 | 24.3 | -30.9 | 0 | 0 | 0 | 110.6 | G144 | P142-G144 PolarHBondContact O-N 3.07Š|
| 143 | N | 64.2 | Low | 68.9 | Low | 176 Ų | 176 | 87.5 Ų | 87.5 | 94% | 0.941 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -71.6 | 95.4 | 169.6 | -77.6 | -15.4 | 0 | 0 | 0 | 108.9 | L141 | L141-N143 PolarHBondContact O-N 3.44Š|
| 144 | G | 55.3 | Low | 69.5 | Low | 74 Ų | 74 | 91.4 Ų | 91.4 | 76% | 0.763 | 51% | 0.51 | S | S | * | . | trans | 148.9 | 38.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | P142 | P142-G144 PolarHBondContact O-N 3.07Š| ||
| 145 | Q | 51 | Low | 69.6 | Low | 157 Ų | 157 | 91.8 Ų | 91.8 | 73% | 0.734 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -117.9 | 135.4 | 163.7 | -66.5 | -171.2 | -2.3 | 0 | 0 | 110.1 | ||
| 146 | S | 46.5 | Very low | 69.5 | Low | 94 Ų | 94 | 91 Ų | 91 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | trans | -18.2 | 139.4 | -170.4 | -149.5 | 0 | 0 | 0 | 0 | 117 | N148 T149 | S146-N148 PolarHBondContact O-N 3.17Å; S146-T149 PolarHBondContact O-N 3.17Å; S146-T149 PolarHBondContact O-OG1 3.3Å | ||
| 147 | E | 54.7 | Low | 69.2 | Low | 207 Ų | 207 | 91.8 Ų | 91.8 | 97% | 0.967 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -4 | 177.8 | -70.1 | -178 | 155.9 | 0 | 0 | 116.4 | ||
| 148 | N | 55.2 | Low | 69.1 | Low | 150 Ų | 150 | 94.6 Ų | 94.6 | 80% | 0.802 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 2 | -179.8 | -77.1 | -16.6 | 0 | 0 | 0 | 115.5 | S146 T150 | S146-N148 PolarHBondContact O-N 3.17Å; N148-T150 PolarHBondContact O-N 3.13Å |
| 149 | T | 60.2 | Low | 69.1 | Low | 91 Ų | 91 | 95.7 Ų | 95.7 | 56% | 0.558 | 53% | 0.531 | S | S | * | . | trans | -84.2 | 107.1 | 175.5 | 51.6 | 0 | 0 | 0 | 0 | 110.9 | S146 | S146-T149 PolarHBondContact O-N 3.17Å; S146-T149 PolarHBondContact O-OG1 3.3Å | ||
| 150 | T | 65.6 | Low | 69.2 | Low | 130 Ų | 130 | 92.3 Ų | 92.3 | 80% | 0.798 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 130.8 | 171.9 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | N148 D152 | N148-T150 PolarHBondContact O-N 3.13Å; T150-D152 PolarHBondContact O-N 3.35Å |
| 151 | F | 70 | Confident | 69.4 | Low | 86 Ų | 86 | 90.6 Ų | 90.6 | 38% | 0.377 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 119.5 | 171.1 | 174.2 | -96.2 | 0 | 0 | 0 | 110.6 | V116 L141 F153 C156 I160 I183 | V116-F151 HydrophobicContact CG2-CE1 4.29Å; V116-F151 HydrophobicContact CG2-CE2 3.98Å; V116-F151 HydrophobicContact CG2-CZ 3.55Å; L141-F151 HydrophobicContact CD2-CD2 4.16Å; L141-F151 HydrophobicContact CD2-CE2 4.31Å; F151-F153 HydrophobicContact CE1-CB 4.32Å; F151-F153 HydrophobicContact CE1-CD2 4.48Å; F151-C156 HydrophobicContact CE2-CB 4Å; F151-I160 HydrophobicContact CZ-CD1 3.93Å; F151-I160 HydrophobicContact CZ-CG1 4.03Å; F151-I183 HydrophobicContact CD1-CD1 4.37Å; F151-I183 HydrophobicContact CE1-CD1 3.7Å; F151-I183 HydrophobicContact CZ-CD1 4.1Å |
| 152 | D | 71 | Confident | 69.7 | Low | 70 Ų | 70 | 89.1 Ų | 89.1 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 124.1 | 169.5 | 177.9 | 26.7 | 0 | 0 | 0 | 110.2 | T150 H154 S155 | T150-D152 PolarHBondContact O-N 3.35Å; D152-H154 VanDerWaalsContact C-N 3.26Å; D152-H154 PolarHBondContact O-N 2.93Å; D152-H154 PolarHBondContact OD1-N 3.4Å; D152-S155 PolarHBondContact O-N 2.85Å; D152-S155 WeakPolarHBondContact OD2-CB 3.44Å; D152-S155 PolarHBondContact OD2-N 3.12Å; D152-S155 PolarHBondContact OD2-OG 3.37Å |
| 153 | F | 74.1 | Confident | 70.2 | Confident | 27 Ų | 27 | 85.2 Ų | 85.2 | 12% | 0.118 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -34.8 | -179.2 | -175.3 | -90.8 | 0 | 0 | 0 | 112 | D114 F151 I160 F162 | D114-F153 HydrophobicContact CB-CE2 4.43Å; F151-F153 HydrophobicContact CE1-CB 4.32Å; F151-F153 HydrophobicContact CE1-CD2 4.48Å; F153-I160 HydrophobicContact CD2-CD1 3.85Å; F153-I160 HydrophobicContact CE2-CD1 4Å; F153-I160 HydrophobicContact CE2-CG2 4.28Å; F153-I160 HydrophobicContact CG-CD1 4.25Å; F153-I160 WeakPolarHBondContact O-CD1 3.31Å; F153-F162 HydrophobicContact CE1-CE1 4.21Å; F153-F162 HydrophobicContact CE2-CE1 4.49Å; F153-F162 HydrophobicContact CZ-CD1 4.22Å; F153-F162 AromaticContact CZ-CE1 3.76Å; F153-F162 HydrophobicContact CZ-CE1 3.76Å |
| 154 | H | 68.2 | Low | 71 | Confident | 152 Ų | 152 | 77 Ų | 77 | 70% | 0.704 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -27.4 | -176.5 | -70.5 | -71.9 | 0 | 0 | 0 | 113.1 | D152 | D152-H154 VanDerWaalsContact C-N 3.26Å; D152-H154 PolarHBondContact O-N 2.93Å; D152-H154 PolarHBondContact OD1-N 3.4Å |
| 155 | S | 64.2 | Low | 72.4 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 62% | 0.615 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13.1 | -176.4 | -61.2 | 0 | 0 | 0 | 0 | 114 | D152 | D152-S155 PolarHBondContact O-N 2.85Å; D152-S155 WeakPolarHBondContact OD2-CB 3.44Å; D152-S155 PolarHBondContact OD2-N 3.12Å; D152-S155 PolarHBondContact OD2-OG 3.37Å |
| 156 | C | 69.4 | Low | 74 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 25% | 0.25 | 37% | 0.371 | C | S | . | . | trans | -129.4 | 50.1 | -166 | -73.6 | 0 | 0 | 0 | 0 | 116.1 | F151 R158 H159 | F151-C156 HydrophobicContact CE2-CB 4Å; C156-R158 VanDerWaalsContact C-N 3.29Å; C156-R158 PolarHBondContact O-N 3.06Å; C156-H159 PolarHBondContact O-N 3.04Å | ||
| 157 | P | 76.2 | Confident | 76 | Confident | 64 Ų | 64 | 64 Ų | 64 | 42% | 0.416 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -66.6 | -24 | -174.9 | 27.8 | -35.6 | 0 | 0 | 0 | 114.6 | K138 H159 I160 F162 | K138-P157 PolarHBondContact NZ-O 3.22Å; P157-H159 PolarHBondContact O-N 3.26Å; P157-I160 PolarHBondContact O-N 2.99Å; P157-F162 HydrophobicContact CB-CZ 4.42Å |
| 158 | R | 83.1 | Confident | 77.4 | Confident | 130 Ų | 130 | 57.6 Ų | 57.6 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -68.3 | -15.4 | 179.9 | -66.7 | -174.9 | 179.4 | -170.7 | 1.1 | 113.7 | K138 I139 C156 D990 | K138-R158 WeakPolarHBondContact CA-O 3.07Å; K138-R158 WeakPolarHBondContact CD-O 3.34Å; I139-R158 HydrophobicContact CG1-CB 4.4Å; I139-R158 PolarHBondContact N-O 2.83Å; I139-R158 VanDerWaalsContact N-O 3.1Å; C156-R158 VanDerWaalsContact C-N 3.29Å; C156-R158 PolarHBondContact O-N 3.06Å; R158-D990 IonicContact CZ-OD2 3.87Å; R158-D990 IonicContact NH2-OD2 3.73Å; R158-D990 PolarHBondContact NH2-OD2 3.49Å |
| 159 | H | 88.4 | Confident | 78.7 | Confident | 27 Ų | 27 | 54 Ų | 54 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -105 | -6.3 | -179 | -54.5 | -63.9 | 0 | 0 | 0 | 113.7 | V116 L117 I139 P140 L141 C156 P157 | V116-H159 WeakPolarHBondContact CA-O 3.2Å; L117-H159 PolarHBondContact N-O 3.16Å; I139-H159 WeakPolarHBondContact O-CA 3.03Å; I139-H159 PolarHBondContact O-ND1 3.09Å; P140-H159 PolarHBondContact O-CE1 3.44Å; P140-H159 PolarHBondContact O-ND1 3.4Å; L141-H159 HydrophobicContact CD2-CB 4.31Å; L141-H159 HydrophobicContact CG-CB 4.22Å; C156-H159 PolarHBondContact O-N 3.04Å; P157-H159 PolarHBondContact O-N 3.26Å |
| 160 | I | 90.4 | Very high | 79.8 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.7 | -173 | -58 | 165.8 | 0 | 0 | 0 | 109.7 | A115 V116 K138 F151 F153 P157 F162 | A115-I160 CarbonylContact O-C 3.45Å; A115-I160 WeakPolarHBondContact O-CA 3.49Å; V116-I160 HydrophobicContact CG2-CG1 3.75Å; K138-I160 WeakPolarHBondContact CD-O 3.46Å; K138-I160 WeakPolarHBondContact CE-O 3.44Å; K138-I160 PolarHBondContact NZ-O 2.93Å; F151-I160 HydrophobicContact CZ-CD1 3.93Å; F151-I160 HydrophobicContact CZ-CG1 4.03Å; F153-I160 HydrophobicContact CD2-CD1 3.85Å; F153-I160 HydrophobicContact CE2-CD1 4Å; F153-I160 HydrophobicContact CE2-CG2 4.28Å; F153-I160 HydrophobicContact CG-CD1 4.25Å; F153-I160 WeakPolarHBondContact O-CD1 3.31Å; P157-I160 PolarHBondContact O-N 2.99Å; I160-F162 HydrophobicContact CB-CE1 4.15Å; I160-F162 HydrophobicContact CB-CE2 4.34Å; I160-F162 HydrophobicContact CB-CZ 3.98Å; I160-F162 HydrophobicContact CD1-CE1 4.45Å; I160-F162 HydrophobicContact CD1-CZ 4.43Å; I160-F162 HydrophobicContact CG2-CD1 3.7Å; I160-F162 HydrophobicContact CG2-CD2 4.45Å; I160-F162 HydrophobicContact CG2-CE1 3.55Å; I160-F162 HydrophobicContact CG2-CE2 4.33Å; I160-F162 HydrophobicContact CG2-CG 4.15Å; I160-F162 HydrophobicContact CG2-CZ 3.89Å |
| 161 | L | 91.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 113 | 165.5 | -57.2 | 176.2 | 0 | 0 | 0 | 107.8 | I104 M111 D114 A115 L117 C122 V124 K138 A180 | I104-L161 HydrophobicContact CD1-CD1 4.08Å; I104-L161 HydrophobicContact CG1-CD1 4.09Å; M111-L161 HydrophobicContact CE-CB 3.58Å; M111-L161 HydrophobicContact CE-CD1 4.06Å; M111-L161 HydrophobicContact CE-CG 4.49Å; M111-L161 HydrophobicContact CG-CB 4.25Å; M111-L161 HydrophobicContact SD-CB 4.11Å; M111-L161 HydrophobicContact SD-CD1 4.09Å; D114-L161 CarbonylContact C-O 3.47Å; D114-L161 WeakPolarHBondContact CA-O 3.29Å; A115-L161 PolarHBondContact N-O 3.4Å; A115-L161 PolarHBondContact O-N 3.06Å; L117-L161 HydrophobicContact CD1-CD1 4.39Å; C122-L161 HydrophobicContact CB-CD2 3.96Å; V124-L161 HydrophobicContact CG2-CD2 3.59Å; K138-L161 HydrophobicContact CB-CD2 4.17Å; K138-L161 HydrophobicContact CG-CD2 3.97Å; L161-A180 HydrophobicContact CD1-CB 4.03Å |
| 162 | F | 89.3 | Confident | 80.1 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | trans | -89.8 | 147.7 | -175.2 | -59.9 | -79.3 | 0 | 0 | 0 | 112.9 | M111 E126 L129 F153 P157 I160 G164 T165 | M111-F162 WeakPolarHBondContact CB-O 3.35Å; E126-F162 WeakPolarHBondContact OE1-CD2 3.47Å; L129-F162 HydrophobicContact CD1-CB 3.17Å; L129-F162 HydrophobicContact CD1-CD2 4.29Å; L129-F162 HydrophobicContact CD1-CG 3.88Å; F153-F162 HydrophobicContact CE1-CE1 4.21Å; F153-F162 HydrophobicContact CE2-CE1 4.49Å; F153-F162 HydrophobicContact CZ-CD1 4.22Å; F153-F162 AromaticContact CZ-CE1 3.76Å; F153-F162 HydrophobicContact CZ-CE1 3.76Å; P157-F162 HydrophobicContact CB-CZ 4.42Å; I160-F162 HydrophobicContact CB-CE1 4.15Å; I160-F162 HydrophobicContact CB-CE2 4.34Å; I160-F162 HydrophobicContact CB-CZ 3.98Å; I160-F162 HydrophobicContact CD1-CE1 4.45Å; I160-F162 HydrophobicContact CD1-CZ 4.43Å; I160-F162 HydrophobicContact CG2-CD1 3.7Å; I160-F162 HydrophobicContact CG2-CD2 4.45Å; I160-F162 HydrophobicContact CG2-CE1 3.55Å; I160-F162 HydrophobicContact CG2-CE2 4.33Å; I160-F162 HydrophobicContact CG2-CG 4.15Å; I160-F162 HydrophobicContact CG2-CZ 3.89Å; F162-G164 PolarHBondContact O-N 3.42Å; F162-T165 HydrophobicContact CB-CG2 3.95Å; F162-T165 WeakPolarHBondContact O-CB 3.35Å; F162-T165 WeakPolarHBondContact O-CG2 3.27Å; F162-T165 PolarHBondContact O-N 2.98Å; F162-T165 PolarHBondContact O-OG1 3.37Å | ||
| 163 | S | 86.8 | Confident | 79.8 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 130.9 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | Q112 C113 D114 K191 | Q112-S163 PolarHBondContact O-OG 3.31Å; C113-S163 PolarHBondContact O-N 3.17Å; D114-S163 VanDerWaalsContact OD1-CB 3.25Å; D114-S163 WeakPolarHBondContact OD1-CB 3.26Å; D114-S163 PolarHBondContact OD1-N 3.08Å; S163-K191 WeakPolarHBondContact O-CB 3.35Å |
| 164 | G | 79.5 | Confident | 79.1 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -9.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | M111 S128 F162 | M111-G164 PolarHBondContact O-N 2.75Å; S128-G164 WeakPolarHBondContact CB-O 3.45Å; S128-G164 PolarHBondContact OG-O 3.05Å; F162-G164 PolarHBondContact O-N 3.42Å |
| 165 | T | 84.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -83.2 | 151.6 | 174.7 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | M111 V124 E126 L129 F162 | M111-T165 WeakPolarHBondContact CB-O 2.82Å; M111-T165 PolarHBondContact N-O 2.95Å; V124-T165 HydrophobicContact CG1-CG2 4.36Å; V124-T165 WeakPolarHBondContact CG1-OG1 3.49Å; E126-T165 HydrophobicContact CB-CG2 4.21Å; E126-T165 HydrophobicContact CG-CG2 3.97Å; L129-T165 HydrophobicContact CD1-CG2 3.43Å; L129-T165 VanDerWaalsContact CD1-CG2 3.43Å; L129-T165 HydrophobicContact CG-CG2 4.29Å; F162-T165 HydrophobicContact CB-CG2 3.95Å; F162-T165 WeakPolarHBondContact O-CB 3.35Å; F162-T165 WeakPolarHBondContact O-CG2 3.27Å; F162-T165 PolarHBondContact O-N 2.98Å; F162-T165 PolarHBondContact O-OG1 3.37Å | ||
| 166 | S | 84.9 | Confident | 79.1 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114.9 | 176.2 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | N125 I168 | N125-S166 PolarHBondContact N-O 3.32Å; N125-S166 PolarHBondContact O-N 3.35Å; S166-I168 PolarHBondContact O-N 3.01Å |
| 167 | V | 88.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 118.3 | 165 | -176.1 | 0 | 0 | 0 | 0 | 106.8 | I104 G108 C109 M111 C122 V124 T170 | I104-V167 HydrophobicContact CG2-CB 4.3Å; I104-V167 HydrophobicContact CG2-CG1 3.89Å; I104-V167 HydrophobicContact CG2-CG2 4.11Å; G108-V167 CarbonylContact C-O 3.56Å; G108-V167 WeakPolarHBondContact CA-O 3.48Å; C109-V167 PolarHBondContact N-O 3.42Å; C109-V167 PolarHBondContact O-N 2.94Å; M111-V167 HydrophobicContact CG-CG2 3.85Å; M111-V167 HydrophobicContact SD-CG2 3.94Å; C122-V167 HydrophobicContact CB-CG1 4.29Å; V124-V167 HydrophobicContact CG2-CG2 4.33Å; V167-T170 HydrophobicContact CG1-CG2 4.05Å |
| 168 | I | 83.5 | Confident | 80.2 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -50.5 | 178.2 | -58.8 | 174.4 | 0 | 0 | 0 | 109 | I123 N125 P135 S166 | I123-I168 HydrophobicContact CG2-CB 4.49Å; I123-I168 HydrophobicContact CG2-CD1 4.33Å; I123-I168 PolarHBondContact O-N 3.16Å; N125-I168 HydrophobicContact CB-CD1 4.05Å; N125-I168 HydrophobicContact CB-CG1 4.1Å; P135-I168 HydrophobicContact CB-CD1 3.82Å; S166-I168 PolarHBondContact O-N 3.01Å |
| 169 | Q | 83 | Confident | 80.5 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 150.5 | -175.6 | -170.3 | -177.8 | 12.6 | 0 | 0 | 109.8 | I123 | I123-Q169 PolarHBondContact N-O 3.25Å; I123-Q169 PolarHBondContact O-N 3Å |
| 170 | T | 83.7 | Confident | 80.7 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.5 | 167.5 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | I104 P105 S106 N121 V167 V178 | I104-T170 HydrophobicContact CB-CG2 4.02Å; I104-T170 HydrophobicContact CG2-CG2 3.47Å; I104-T170 VanDerWaalsContact CG2-CG2 3.47Å; P105-T170 WeakPolarHBondContact O-CG2 3.25Å; S106-T170 WeakPolarHBondContact CA-OG1 3.31Å; N121-T170 CarbonylContact O-C 3.58Å; N121-T170 WeakPolarHBondContact O-CA 3.2Å; V167-T170 HydrophobicContact CG1-CG2 4.05Å; T170-V178 HydrophobicContact CG2-CB 4.22Å; T170-V178 HydrophobicContact CG2-CG1 4.18Å; T170-V178 HydrophobicContact CG2-CG2 4.29Å |
| 171 | R | 74.8 | Confident | 80.9 | Confident | 149 Ų | 149 | 57.7 Ų | 57.7 | 56% | 0.562 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 107.9 | 174.1 | -70.9 | -174.7 | 176.7 | 176.9 | 2.5 | 108 | N121 | N121-R171 HydrophobicContact CB-CB 4.18Å; N121-R171 PolarHBondContact N-O 3.01Å; N121-R171 PolarHBondContact O-N 3.4Å |
| 172 | G | 67.3 | Low | 81 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 46% | 0.464 | 29% | 0.293 | S | S | . | . | trans | -147 | 167.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | I174 | G172-I174 PolarHBondContact O-N 2.98Š| ||
| 173 | D | 64.8 | Low | 81.2 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | trans | -53 | 137.3 | 170.9 | -73.2 | -26.8 | 0 | 0 | 0 | 109.4 | N175 K176 | D173-N175 PolarHBondContact O-N 3.27Å; D173-K176 HydrophobicContact CB-CB 4.25Å; D173-K176 HydrophobicContact CB-CD 4.29Å; D173-K176 HydrophobicContact CB-CG 4.29Å; D173-K176 PolarHBondContact O-N 3.49Å; D173-K176 IonicContact OD2-NZ 2.77Å; D173-K176 PolarHBondContact OD2-NZ 3.42Å | ||
| 174 | I | 60 | Low | 81.4 | Confident | 169 Ų | 169 | 61.9 Ų | 61.9 | 87% | 0.867 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -24.5 | -176.3 | -61.5 | 169 | 0 | 0 | 0 | 112.6 | G172 | G172-I174 PolarHBondContact O-N 2.98Š|
| 175 | N | 61.7 | Low | 82.1 | Confident | 159 Ų | 159 | 63.5 Ų | 63.5 | 85% | 0.85 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 3.6 | -179.1 | -69.2 | -15.2 | 0 | 0 | 0 | 115.4 | D173 | D173-N175 PolarHBondContact O-N 3.27Š|
| 176 | K | 69.8 | Low | 82.2 | Confident | 119 Ų | 119 | 64.1 Ų | 64.1 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | trans | -122.9 | 127 | -178 | -67.6 | -179.8 | -173.9 | 156.5 | 0 | 111.7 | M119 D173 | M119-K176 HydrophobicContact CE-CD 4.28Å; D173-K176 HydrophobicContact CB-CB 4.25Å; D173-K176 HydrophobicContact CB-CD 4.29Å; D173-K176 HydrophobicContact CB-CG 4.29Å; D173-K176 PolarHBondContact O-N 3.49Å; D173-K176 IonicContact OD2-NZ 2.77Å; D173-K176 PolarHBondContact OD2-NZ 3.42Å | ||
| 177 | R | 79.7 | Confident | 82.2 | Confident | 144 Ų | 144 | 64.6 Ų | 64.6 | 54% | 0.543 | 32% | 0.322 | S | S | . | . | trans | -67.7 | 144.1 | 171.8 | -62.6 | -176 | -176.2 | -176.1 | 2.8 | 109.6 | F88 L179 | F88-R177 VanDerWaalsContact CB-NH1 3.27Å; R177-L179 HydrophobicContact CB-CD2 4.27Å | ||
| 178 | V | 88.4 | Confident | 82.2 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.7 | 172.6 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | A103 I104 L117 M119 C122 T170 | A103-V178 WeakPolarHBondContact CA-O 3.36Å; I104-V178 HydrophobicContact CB-CB 4.39Å; I104-V178 HydrophobicContact CB-CG1 4.15Å; I104-V178 HydrophobicContact CG1-CG1 4.38Å; I104-V178 PolarHBondContact N-O 3Å; L117-V178 HydrophobicContact CD1-CG1 3.71Å; M119-V178 VanDerWaalsContact O-CA 3.29Å; M119-V178 WeakPolarHBondContact O-CA 3.5Å; M119-V178 VanDerWaalsContact O-CG1 3.24Å; M119-V178 WeakPolarHBondContact O-CG1 3.45Å; C122-V178 VanDerWaalsContact SG-CG1 3.59Å; T170-V178 HydrophobicContact CG2-CB 4.22Å; T170-V178 HydrophobicContact CG2-CG1 4.18Å; T170-V178 HydrophobicContact CG2-CG2 4.29Å |
| 179 | L | 91 | Very high | 82.4 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137 | -170.5 | -60 | 176.9 | 0 | 0 | 0 | 111 | F88 L101 I102 A103 L118 M119 R177 | F88-L179 HydrophobicContact CE1-CD2 3.73Å; F88-L179 HydrophobicContact CZ-CD2 3.56Å; L101-L179 HydrophobicContact CD1-CB 4.18Å; L101-L179 HydrophobicContact CD2-CD1 4.32Å; I102-L179 WeakPolarHBondContact O-CA 3.28Å; A103-L179 HydrophobicContact CB-CD2 4.33Å; L118-L179 PolarHBondContact N-O 2.76Å; M119-L179 HydrophobicContact CB-CB 4.31Å; M119-L179 PolarHBondContact N-O 3.34Å; M119-L179 VanDerWaalsContact N-O 3.15Å; M119-L179 PolarHBondContact O-N 3.29Å; M119-L179 HydrophobicContact SD-CD1 3.94Å; R177-L179 HydrophobicContact CB-CD2 4.27Å |
| 180 | A | 92.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | I102 I104 A115 V116 L117 L161 | I102-A180 HydrophobicContact CD1-CB 4.38Å; I102-A180 HydrophobicContact CG1-CB 4Å; I102-A180 VanDerWaalsContact CG1-O 3.25Å; I102-A180 WeakPolarHBondContact CG1-O 3.48Å; I102-A180 PolarHBondContact N-O 3.47Å; I102-A180 PolarHBondContact O-N 2.87Å; I104-A180 HydrophobicContact CD1-CB 4.48Å; I104-A180 HydrophobicContact CG1-CB 4.43Å; A115-A180 HydrophobicContact CB-CB 4.04Å; V116-A180 CarbonylContact O-C 3.52Å; V116-A180 WeakPolarHBondContact O-CA 3.27Å; V116-A180 WeakPolarHBondContact O-CB 3.15Å; L117-A180 HydrophobicContact CD1-CB 4.49Å; L161-A180 HydrophobicContact CD1-CB 4.03Å |
| 181 | V | 93.2 | Very high | 82 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.4 | 176.6 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | A115 V116 L118 | A115-V181 CarbonylContact C-O 3.59Å; A115-V181 WeakPolarHBondContact CA-O 2.95Å; A115-V181 WeakPolarHBondContact CB-O 3.49Å; V116-V181 HydrophobicContact CB-CG1 4.08Å; V116-V181 HydrophobicContact CG1-CG1 4.48Å; V116-V181 PolarHBondContact N-O 2.92Å; V116-V181 PolarHBondContact O-N 2.93Å; L118-V181 HydrophobicContact CD1-CB 3.96Å; L118-V181 HydrophobicContact CD1-CG1 4.12Å; L118-V181 HydrophobicContact CD2-CG1 4.18Å; L118-V181 HydrophobicContact CG-CB 4.44Å; L118-V181 HydrophobicContact CG-CG1 4.16Å |
| 182 | V | 94.3 | Very high | 82.2 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.6 | 179.3 | -179 | 0 | 0 | 0 | 0 | 110.1 | P98 G99 D100 I102 C113 T185 | P98-V182 CarbonylContact C-O 3.58Å; P98-V182 WeakPolarHBondContact CA-O 3.13Å; G99-V182 PolarHBondContact N-O 3.16Å; D100-V182 HydrophobicContact CB-CB 4.4Å; D100-V182 HydrophobicContact CB-CG2 4.07Å; D100-V182 WeakPolarHBondContact O-CG2 3.32Å; D100-V182 PolarHBondContact O-N 3.12Å; I102-V182 HydrophobicContact CD1-CG2 4.25Å; I102-V182 HydrophobicContact CG1-CG2 4.36Å; I102-V182 HydrophobicContact CG2-CG2 3.74Å; C113-V182 HydrophobicContact CB-CG1 3.96Å; V182-T185 HydrophobicContact CG1-CG2 3.48Å; V182-T185 VanDerWaalsContact CG1-CG2 3.48Å |
| 183 | I | 92.5 | Very high | 82.7 | Confident | 59 Ų | 59 | 60 Ų | 60 | 30% | 0.303 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -47.5 | 177.1 | -56.6 | -168.3 | 0 | 0 | 0 | 111.5 | P98 D114 V116 F151 | P98-I183 WeakPolarHBondContact CB-O 3.32Å; D114-I183 PolarHBondContact O-N 2.81Å; V116-I183 HydrophobicContact CB-CD1 3.81Å; V116-I183 HydrophobicContact CB-CG1 4.4Å; V116-I183 HydrophobicContact CG2-CD1 3.2Å; V116-I183 HydrophobicContact CG2-CG1 4.16Å; F151-I183 HydrophobicContact CD1-CD1 4.37Å; F151-I183 HydrophobicContact CE1-CD1 3.7Å; F151-I183 HydrophobicContact CZ-CD1 4.1Å |
| 184 | R | 92.5 | Very high | 82.9 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.5 | -177.6 | -51.1 | -176.5 | 178.4 | -180 | -0.9 | 110.8 | C113 D114 M188 T189 | C113-R184 WeakPolarHBondContact CB-O 3.46Å; D114-R184 HydrophobicContact CB-CB 4.07Å; D114-R184 PolarHBondContact N-O 2.89Å; D114-R184 VanDerWaalsContact N-O 3.09Å; D114-R184 PolarHBondContact O-N 3.44Å; D114-R184 VanDerWaalsContact O-N 3.15Å; R184-M188 HydrophobicContact CB-CB 4.43Å; R184-M188 WeakPolarHBondContact CD-O 3.47Å; R184-T189 HydrophobicContact CB-CG2 4.22Å; R184-T189 VanDerWaalsContact O-CG2 3.24Å; R184-T189 WeakPolarHBondContact O-CG2 3.4Å |
| 185 | T | 92.2 | Very high | 83.5 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 22% | 0.221 | 24% | 0.239 | C | C | . | . | trans | -136.4 | 157.8 | 178.4 | 65.6 | 0 | 0 | 0 | 0 | 111.1 | L96 C113 V182 M188 | L96-T185 HydrophobicContact CB-CG2 4.45Å; C113-T185 HydrophobicContact CB-CG2 4.23Å; V182-T185 HydrophobicContact CG1-CG2 3.48Å; V182-T185 VanDerWaalsContact CG1-CG2 3.48Å; T185-M188 PolarHBondContact O-N 2.86Å | ||
| 186 | G | 87.1 | Confident | 84.2 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | 64.7 | -136.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M188 T189 G192 | G186-M188 PolarHBondContact O-N 3.48Å; G186-T189 PolarHBondContact O-N 3.14Å; G186-T189 PolarHBondContact O-OG1 2.94Å; G186-G192 WeakPolarHBondContact O-CA 3.4Å |
| 187 | F | 85.9 | Confident | 83.9 | Confident | 63 Ų | 63 | 44.4 Ų | 44.4 | 28% | 0.276 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -69.4 | -9.4 | -179.7 | -73.2 | -68 | 0 | 0 | 0 | 114.7 | I2 G192 E193 V195 R196 M199 | I2-F187 HydrophobicContact CG2-CD1 4.19Å; I2-F187 HydrophobicContact CG2-CE1 3.51Å; I2-F187 HydrophobicContact CG2-CE2 4.34Å; I2-F187 HydrophobicContact CG2-CZ 3.6Å; F187-G192 CarbonylContact O-C 3.53Å; F187-E193 PolarHBondContact O-N 2.6Å; F187-V195 HydrophobicContact CE1-CG1 4.24Å; F187-R196 HydrophobicContact CD1-CB 3.96Å; F187-R196 HydrophobicContact CE1-CB 4.5Å; F187-M199 HydrophobicContact CD1-CE 4.35Å; F187-M199 HydrophobicContact CE1-CE 3.26Å; F187-M199 HydrophobicContact CZ-CE 3.52Å |
| 188 | M | 88.2 | Confident | 83.2 | Confident | 113 Ų | 113 | 38.8 Ų | 38.8 | 56% | 0.557 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -88 | -13.9 | 177.8 | -61.4 | -60.3 | -63.9 | 0 | 0 | 112.5 | R184 T185 G186 | R184-M188 HydrophobicContact CB-CB 4.43Å; R184-M188 WeakPolarHBondContact CD-O 3.47Å; T185-M188 PolarHBondContact O-N 2.86Å; G186-M188 PolarHBondContact O-N 3.48Å |
| 189 | T | 87.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -69.1 | 160.7 | 173.1 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | D114 R184 G186 K191 G192 E193 | D114-T189 VanDerWaalsContact OD2-CA 3.3Å; D114-T189 WeakPolarHBondContact OD2-CA 3.26Å; R184-T189 HydrophobicContact CB-CG2 4.22Å; R184-T189 VanDerWaalsContact O-CG2 3.24Å; R184-T189 WeakPolarHBondContact O-CG2 3.4Å; G186-T189 PolarHBondContact O-N 3.14Å; G186-T189 PolarHBondContact O-OG1 2.94Å; T189-K191 VanDerWaalsContact C-N 3.26Å; T189-K191 PolarHBondContact O-N 3.48Å; T189-G192 CarbonylContact O-C 3.44Å; T189-G192 WeakPolarHBondContact O-CA 3.28Å; T189-G192 PolarHBondContact O-N 3.06Å; T189-G192 PolarHBondContact OG1-N 2.97Å; T189-E193 PolarHBondContact O-N 3.4Å |
| 190 | T | 79.8 | Confident | 80.9 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 26% | 0.258 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54.9 | -43.5 | 176.1 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | D114 L129 L194 | D114-T190 PolarHBondContact OD2-N 3.29Å; D114-T190 PolarHBondContact OD2-OG1 3.24Å; L129-T190 HydrophobicContact CD2-CG2 3.9Å; T190-L194 PolarHBondContact O-N 2.99Å |
| 191 | K | 78.5 | Confident | 79.3 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 4% | 0.043 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 171 | 175.2 | 172.6 | 175.7 | 168.1 | 0 | 113.2 | S163 T189 L194 V195 E690 | S163-K191 WeakPolarHBondContact O-CB 3.35Å; T189-K191 VanDerWaalsContact C-N 3.26Å; T189-K191 PolarHBondContact O-N 3.48Å; K191-L194 WeakPolarHBondContact O-CB 3.35Å; K191-L194 PolarHBondContact O-N 2.69Å; K191-V195 VanDerWaalsContact O-CG2 3.31Å; K191-V195 WeakPolarHBondContact O-CG2 3.3Å; K191-V195 PolarHBondContact O-N 2.88Å; K191-E690 WeakPolarHBondContact CE-OE1 3.38Å; K191-E690 IonicContact NZ-OE1 3.88Å; K191-E690 PolarHBondContact NZ-OE1 3.37Å |
| 192 | G | 79.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G186 F187 T189 L194 V195 R196 | G186-G192 WeakPolarHBondContact O-CA 3.4Å; F187-G192 CarbonylContact O-C 3.53Å; T189-G192 CarbonylContact O-C 3.44Å; T189-G192 WeakPolarHBondContact O-CA 3.28Å; T189-G192 PolarHBondContact O-N 3.06Å; T189-G192 PolarHBondContact OG1-N 2.97Å; G192-L194 VanDerWaalsContact C-N 3.34Å; G192-V195 PolarHBondContact O-N 3.41Å; G192-R196 WeakPolarHBondContact O-CB 3.26Å; G192-R196 PolarHBondContact O-N 2.83Å |
| 193 | E | 77 | Confident | 75.7 | Confident | 96 Ų | 96 | 62.8 Ų | 62.8 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 173.9 | -72.1 | -175.9 | 172.2 | 0 | 0 | 110.8 | F187 T189 V195 R196 S197 | F187-E193 PolarHBondContact O-N 2.6Å; T189-E193 PolarHBondContact O-N 3.4Å; E193-V195 PolarHBondContact O-N 3Å; E193-R196 PolarHBondContact O-N 2.82Å; E193-S197 VanDerWaalsContact O-CB 3.3Å; E193-S197 WeakPolarHBondContact O-CB 3.32Å; E193-S197 PolarHBondContact O-N 2.72Å |
| 194 | L | 70.4 | Confident | 73.9 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.5 | -52.5 | 174.1 | -168 | 64.6 | 0 | 0 | 0 | 111.3 | T190 K191 G192 S197 I198 C674 | T190-L194 PolarHBondContact O-N 2.99Å; K191-L194 WeakPolarHBondContact O-CB 3.35Å; K191-L194 PolarHBondContact O-N 2.69Å; G192-L194 VanDerWaalsContact C-N 3.34Å; L194-S197 VanDerWaalsContact O-CB 3.23Å; L194-S197 WeakPolarHBondContact O-CB 3.45Å; L194-S197 PolarHBondContact O-N 3.45Å; L194-S197 VanDerWaalsContact O-N 3.17Å; L194-S197 PolarHBondContact O-OG 2.97Å; L194-I198 HydrophobicContact CG-CD1 4.43Å; L194-I198 VanDerWaalsContact O-CG1 3.29Å; L194-I198 WeakPolarHBondContact O-CG1 3.37Å; L194-I198 PolarHBondContact O-N 2.84Å; L194-I198 VanDerWaalsContact O-N 3.15Å; L194-C674 HydrophobicContact CD1-CB 4.01Å; L194-C674 WeakPolarHBondContact CD1-SG 3.46Å; L194-C674 HydrophobicContact CD2-CB 4.49Å |
| 195 | V | 72.1 | Confident | 71.9 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 112.3 | I2 V70 F187 K191 G192 E193 S197 I198 M199 | I2-V195 HydrophobicContact CG2-CG1 4.12Å; V70-V195 HydrophobicContact CB-CG1 4.47Å; V70-V195 HydrophobicContact CG1-CB 4.4Å; V70-V195 HydrophobicContact CG1-CG1 3.54Å; V70-V195 HydrophobicContact CG1-CG2 3.97Å; V70-V195 HydrophobicContact CG2-CG1 4.06Å; V70-V195 HydrophobicContact CG2-CG2 4.37Å; F187-V195 HydrophobicContact CE1-CG1 4.24Å; K191-V195 VanDerWaalsContact O-CG2 3.31Å; K191-V195 WeakPolarHBondContact O-CG2 3.3Å; K191-V195 PolarHBondContact O-N 2.88Å; G192-V195 PolarHBondContact O-N 3.41Å; E193-V195 PolarHBondContact O-N 3Å; V195-S197 PolarHBondContact O-N 3.46Å; V195-I198 WeakPolarHBondContact O-CB 3.14Å; V195-I198 PolarHBondContact O-N 2.99Å; V195-M199 HydrophobicContact CG1-CE 4.3Å; V195-M199 HydrophobicContact CG1-CG 4.46Å; V195-M199 HydrophobicContact CG1-SD 4.5Å; V195-M199 PolarHBondContact O-N 3.49Å |
| 196 | R | 75.4 | Confident | 70.3 | Confident | 150 Ų | 150 | 71.5 Ų | 71.5 | 57% | 0.566 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.2 | -40.5 | 176.4 | -177.6 | -179.5 | -179.5 | 179.8 | 1.2 | 110.7 | F187 G192 E193 I198 M199 F200 | F187-R196 HydrophobicContact CD1-CB 3.96Å; F187-R196 HydrophobicContact CE1-CB 4.5Å; G192-R196 WeakPolarHBondContact O-CB 3.26Å; G192-R196 PolarHBondContact O-N 2.83Å; E193-R196 PolarHBondContact O-N 2.82Å; R196-I198 PolarHBondContact O-N 3.45Å; R196-M199 PolarHBondContact O-N 3.28Å; R196-F200 HydrophobicContact CG-CD2 4.29Å; R196-F200 WeakPolarHBondContact O-CD2 3.45Å; R196-F200 PolarHBondContact O-N 3.09Å |
| 197 | S | 64.3 | Low | 69.2 | Low | 33 Ų | 33 | 77.6 Ų | 77.6 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.1 | -33.9 | 177.9 | 104.7 | 0 | 0 | 0 | 0 | 111.6 | E193 L194 V195 F200 K678 | E193-S197 VanDerWaalsContact O-CB 3.3Å; E193-S197 WeakPolarHBondContact O-CB 3.32Å; E193-S197 PolarHBondContact O-N 2.72Å; L194-S197 VanDerWaalsContact O-CB 3.23Å; L194-S197 WeakPolarHBondContact O-CB 3.45Å; L194-S197 PolarHBondContact O-N 3.45Å; L194-S197 VanDerWaalsContact O-N 3.17Å; L194-S197 PolarHBondContact O-OG 2.97Å; V195-S197 PolarHBondContact O-N 3.46Å; S197-F200 CarbonylContact O-C 3.55Å; S197-K678 VanDerWaalsContact CA-NZ 3.31Å; S197-K678 WeakPolarHBondContact O-CE 3.3Å; S197-K678 PolarHBondContact O-NZ 3.4Å; S197-K678 PolarHBondContact OG-NZ 3.33Å |
| 198 | I | 64.5 | Low | 68.4 | Low | 27 Ų | 27 | 76.3 Ų | 76.3 | 14% | 0.138 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75.9 | -43.8 | 179.8 | -63 | 164 | 0 | 0 | 0 | 111.4 | L194 V195 R196 F200 P201 I693 A694 | L194-I198 HydrophobicContact CG-CD1 4.43Å; L194-I198 VanDerWaalsContact O-CG1 3.29Å; L194-I198 WeakPolarHBondContact O-CG1 3.37Å; L194-I198 PolarHBondContact O-N 2.84Å; L194-I198 VanDerWaalsContact O-N 3.15Å; V195-I198 WeakPolarHBondContact O-CB 3.14Å; V195-I198 PolarHBondContact O-N 2.99Å; R196-I198 PolarHBondContact O-N 3.45Å; I198-F200 PolarHBondContact O-N 3Å; I198-P201 WeakPolarHBondContact O-CD 3.06Å; I198-I693 HydrophobicContact CD1-CB 3.77Å; I198-I693 HydrophobicContact CD1-CG2 3.51Å; I198-I693 HydrophobicContact CG2-CG2 4.16Å; I198-I693 WeakPolarHBondContact CG2-O 3.25Å; I198-A694 HydrophobicContact CD1-CB 3.72Å; I198-A694 HydrophobicContact CG1-CB 3.77Å |
| 199 | M | 65.8 | Low | 67.4 | Low | 42 Ų | 42 | 74.2 Ų | 74.2 | 21% | 0.207 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.3 | -29.6 | -179.2 | -69 | -167.4 | -60.3 | 0 | 0 | 113.1 | I4 L66 F187 V195 R196 P201 | I4-M199 HydrophobicContact CB-SD 4.34Å; I4-M199 HydrophobicContact CD1-CG 4.46Å; I4-M199 HydrophobicContact CD1-SD 3.54Å; I4-M199 VanDerWaalsContact CD1-SD 3.54Å; I4-M199 HydrophobicContact CG1-SD 3.58Å; I4-M199 VanDerWaalsContact CG1-SD 3.58Å; I4-M199 HydrophobicContact CG2-SD 3.97Å; L66-M199 HydrophobicContact CD2-CG 4.41Å; F187-M199 HydrophobicContact CD1-CE 4.35Å; F187-M199 HydrophobicContact CE1-CE 3.26Å; F187-M199 HydrophobicContact CZ-CE 3.52Å; V195-M199 HydrophobicContact CG1-CE 4.3Å; V195-M199 HydrophobicContact CG1-CG 4.46Å; V195-M199 HydrophobicContact CG1-SD 4.5Å; V195-M199 PolarHBondContact O-N 3.49Å; R196-M199 PolarHBondContact O-N 3.28Å; M199-P201 VanDerWaalsContact C-CD 3.43Å; M199-P201 VanDerWaalsContact O-CD 3.27Å; M199-P201 WeakPolarHBondContact O-CD 3.15Å |
| 200 | F | 65.8 | Low | 67 | Low | 151 Ų | 151 | 82.2 Ų | 82.2 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -118.9 | 71 | 179.6 | -57.4 | -71.6 | 0 | 0 | 0 | 110.3 | R196 S197 I198 | R196-F200 HydrophobicContact CG-CD2 4.29Å; R196-F200 WeakPolarHBondContact O-CD2 3.45Å; R196-F200 PolarHBondContact O-N 3.09Å; S197-F200 CarbonylContact O-C 3.55Å; I198-F200 PolarHBondContact O-N 3Å |
| 201 | P | 59.6 | Low | 67 | Low | 80 Ų | 80 | 81.1 Ų | 81.1 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 148.9 | -179.8 | 29.5 | -34.3 | 0 | 0 | 0 | 110.4 | I198 M199 | I198-P201 WeakPolarHBondContact O-CD 3.06Å; M199-P201 VanDerWaalsContact C-CD 3.43Å; M199-P201 VanDerWaalsContact O-CD 3.27Å; M199-P201 WeakPolarHBondContact O-CD 3.15Å |
| 202 | K | 54.9 | Low | 67 | Low | 185 Ų | 185 | 81.8 Ų | 81.8 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 125.1 | 171.2 | -69.3 | -178.9 | 179.6 | 176.2 | 0 | 108.1 | M204 | K202-M204 PolarHBondContact O-N 2.92Å; K202-M204 VanDerWaalsContact O-N 3.1Å |
| 203 | P | 55.8 | Low | 67.1 | Low | 117 Ų | 117 | 88.4 Ų | 88.4 | 76% | 0.76 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -64 | 116.2 | -176.3 | 23.9 | -33 | 0 | 0 | 0 | 110.6 | K205 | P203-K205 PolarHBondContact O-N 3.31Š|
| 204 | M | 55.2 | Low | 67.6 | Low | 76 Ų | 76 | 88.1 Ų | 88.1 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | trans | -73.6 | 112.3 | 171.7 | -76.1 | -160.9 | -83.6 | 0 | 0 | 109.5 | K202 F206 V287 | K202-M204 PolarHBondContact O-N 2.92Å; K202-M204 VanDerWaalsContact O-N 3.1Å; M204-F206 HydrophobicContact CB-CD2 4.26Å; M204-F206 HydrophobicContact CB-CE1 4.33Å; M204-F206 HydrophobicContact CB-CE2 3.65Å; M204-F206 HydrophobicContact CB-CZ 3.69Å; M204-F206 HydrophobicContact CE-CE2 4.37Å; M204-F206 HydrophobicContact CE-CZ 3.72Å; M204-F206 HydrophobicContact CG-CZ 4.42Å; M204-F206 WeakPolarHBondContact O-CD2 3.28Å; M204-F206 PolarHBondContact O-N 3.39Å; M204-F206 HydrophobicContact SD-CE1 4.4Å; M204-F206 HydrophobicContact SD-CZ 3.91Å; M204-V287 HydrophobicContact CE-CG2 4.09Å | ||
| 205 | K | 51.1 | Low | 68.2 | Low | 203 Ų | 203 | 86.5 Ų | 86.5 | 88% | 0.883 | 40% | 0.404 | S | S | * | . | trans | -73.3 | 90.8 | 176.2 | -68.5 | -178.5 | -179.5 | 176.6 | 0 | 109.9 | P203 K207 | P203-K205 PolarHBondContact O-N 3.31Å; K205-K207 PolarHBondContact O-N 2.98Å | ||
| 206 | F | 58.4 | Low | 68.7 | Low | 56 Ų | 56 | 88.7 Ų | 88.7 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | trans | -73.2 | 123 | 177.3 | -70.6 | -66.5 | 0 | 0 | 0 | 111.9 | M204 F208 T209 V290 | M204-F206 HydrophobicContact CB-CD2 4.26Å; M204-F206 HydrophobicContact CB-CE1 4.33Å; M204-F206 HydrophobicContact CB-CE2 3.65Å; M204-F206 HydrophobicContact CB-CZ 3.69Å; M204-F206 HydrophobicContact CE-CE2 4.37Å; M204-F206 HydrophobicContact CE-CZ 3.72Å; M204-F206 HydrophobicContact CG-CZ 4.42Å; M204-F206 WeakPolarHBondContact O-CD2 3.28Å; M204-F206 PolarHBondContact O-N 3.39Å; M204-F206 HydrophobicContact SD-CE1 4.4Å; M204-F206 HydrophobicContact SD-CZ 3.91Å; F206-F208 PolarHBondContact O-N 3.23Å; F206-T209 PolarHBondContact O-N 3.43Å; F206-V290 HydrophobicContact CD1-CG2 4.06Å; F206-V290 HydrophobicContact CE1-CB 4.46Å; F206-V290 HydrophobicContact CE1-CG2 3.15Å; F206-V290 HydrophobicContact CZ-CG2 3.55Å | ||
| 207 | K | 64.4 | Low | 69.2 | Low | 141 Ų | 141 | 83.7 Ų | 83.7 | 61% | 0.613 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.9 | -31.4 | 172.4 | -67.9 | 179.7 | -179.1 | 173.2 | 0 | 111.8 | K205 T209 R210 D211 | K205-K207 PolarHBondContact O-N 2.98Å; K207-T209 PolarHBondContact O-N 3.44Å; K207-R210 WeakPolarHBondContact O-CB 3.28Å; K207-R210 PolarHBondContact O-N 2.85Å; K207-D211 PolarHBondContact O-N 3.04Å |
| 208 | F | 68.2 | Low | 70.2 | Confident | 37 Ų | 37 | 84.9 Ų | 84.9 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57 | -50.3 | 179.6 | -179.2 | -107.2 | 0 | 0 | 0 | 113.1 | F206 R210 D211 V212 M264 F722 L787 | F206-F208 PolarHBondContact O-N 3.23Å; F208-R210 VanDerWaalsContact C-N 3.29Å; F208-R210 PolarHBondContact O-N 3.42Å; F208-D211 PolarHBondContact O-N 3.1Å; F208-D211 VanDerWaalsContact O-N 3.15Å; F208-V212 HydrophobicContact CE1-CG2 4.48Å; F208-V212 WeakPolarHBondContact O-CG2 3.47Å; F208-V212 PolarHBondContact O-N 2.63Å; F208-M264 HydrophobicContact CE1-CE 3.49Å; F208-M264 VanDerWaalsContact CE1-CE 3.49Å; F208-M264 HydrophobicContact CE2-CE 3.91Å; F208-M264 HydrophobicContact CZ-CE 3.04Å; F208-F722 AromaticContact CD2-CE1 3.85Å; F208-F722 HydrophobicContact CD2-CE1 3.85Å; F208-F722 HydrophobicContact CD2-CZ 4.42Å; F208-F722 AromaticContact CE2-CD1 3.95Å; F208-F722 HydrophobicContact CE2-CD1 3.95Å; F208-F722 AromaticContact CE2-CE1 3.34Å; F208-F722 HydrophobicContact CE2-CE1 3.34Å; F208-F722 HydrophobicContact CE2-CZ 4.24Å; F208-F722 HydrophobicContact CZ-CE1 4.32Å; F208-L787 HydrophobicContact CD2-CB 4.43Å; F208-L787 HydrophobicContact CE2-CB 4.4Å; F208-L787 HydrophobicContact CE2-CD1 4.1Å; F208-L787 HydrophobicContact CE2-CD2 4.3Å |
| 209 | T | 67.7 | Low | 71.2 | Confident | 68 Ų | 68 | 83.9 Ų | 83.9 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 179.2 | -45.1 | 0 | 0 | 0 | 0 | 111.6 | F206 K207 V212 Y213 | F206-T209 PolarHBondContact O-N 3.43Å; K207-T209 PolarHBondContact O-N 3.44Å; T209-V212 WeakPolarHBondContact O-CB 3.25Å; T209-V212 PolarHBondContact O-N 2.91Å; T209-Y213 HydrophobicContact CG2-CD2 4.14Å; T209-Y213 HydrophobicContact CG2-CE2 3.64Å; T209-Y213 WeakPolarHBondContact O-CD2 3.36Å; T209-Y213 PolarHBondContact O-N 3.43Å; T209-Y213 VanDerWaalsContact O-N 3.12Å |
| 210 | R | 79.1 | Confident | 72.2 | Confident | 169 Ų | 169 | 84.6 Ų | 84.6 | 64% | 0.638 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 173.9 | -179 | -177.9 | 175.7 | 176.6 | 2.6 | 111.6 | K207 F208 V212 Y213 Q214 | K207-R210 WeakPolarHBondContact O-CB 3.28Å; K207-R210 PolarHBondContact O-N 2.85Å; F208-R210 VanDerWaalsContact C-N 3.29Å; F208-R210 PolarHBondContact O-N 3.42Å; R210-V212 VanDerWaalsContact C-N 3.27Å; R210-V212 PolarHBondContact O-N 3.23Å; R210-Y213 PolarHBondContact O-N 3.43Å; R210-Q214 HydrophobicContact CG-CG 4.49Å; R210-Q214 WeakPolarHBondContact O-CG 3.45Å; R210-Q214 PolarHBondContact O-N 3.33Å |
| 211 | D | 80 | Confident | 73.2 | Confident | 19 Ų | 19 | 79.1 Ų | 79.1 | 10% | 0.102 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 177.8 | -68.9 | -1.6 | 0 | 0 | 0 | 111.1 | K207 F208 Q214 F215 R786 L787 L788 | K207-D211 PolarHBondContact O-N 3.04Å; F208-D211 PolarHBondContact O-N 3.1Å; F208-D211 VanDerWaalsContact O-N 3.15Å; D211-Q214 PolarHBondContact O-N 2.81Å; D211-F215 WeakPolarHBondContact O-CB 3.46Å; D211-F215 PolarHBondContact O-N 3.28Å; D211-R786 WeakPolarHBondContact OD2-CA 3.48Å; D211-L787 HydrophobicContact CB-CB 3.94Å; D211-L787 PolarHBondContact OD2-N 3.11Å; D211-L788 HydrophobicContact CB-CD1 4.42Å; D211-L788 HydrophobicContact CB-CG 4.49Å |
| 212 | V | 78.3 | Confident | 74.5 | Confident | 24 Ų | 24 | 78.2 Ų | 78.2 | 15% | 0.145 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 173.4 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | F208 T209 R210 Q214 F215 L216 M264 L787 | F208-V212 HydrophobicContact CE1-CG2 4.48Å; F208-V212 WeakPolarHBondContact O-CG2 3.47Å; F208-V212 PolarHBondContact O-N 2.63Å; T209-V212 WeakPolarHBondContact O-CB 3.25Å; T209-V212 PolarHBondContact O-N 2.91Å; R210-V212 VanDerWaalsContact C-N 3.27Å; R210-V212 PolarHBondContact O-N 3.23Å; V212-Q214 VanDerWaalsContact C-N 3.33Å; V212-Q214 PolarHBondContact O-N 3.1Å; V212-F215 PolarHBondContact O-N 2.88Å; V212-L216 WeakPolarHBondContact O-CB 3.35Å; V212-L216 PolarHBondContact O-N 3.19Å; V212-M264 HydrophobicContact CG2-CE 3.65Å; V212-M264 HydrophobicContact CG2-SD 4.3Å; V212-L787 HydrophobicContact CB-CD2 4.46Å; V212-L787 HydrophobicContact CG2-CD2 3.52Å |
| 213 | Y | 81.7 | Confident | 76 | Confident | 138 Ų | 138 | 69.5 Ų | 69.5 | 54% | 0.541 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 177 | -71.8 | -60.9 | 0 | 0 | 0 | 112.7 | T209 R210 L216 G217 | T209-Y213 HydrophobicContact CG2-CD2 4.14Å; T209-Y213 HydrophobicContact CG2-CE2 3.64Å; T209-Y213 WeakPolarHBondContact O-CD2 3.36Å; T209-Y213 PolarHBondContact O-N 3.43Å; T209-Y213 VanDerWaalsContact O-N 3.12Å; R210-Y213 PolarHBondContact O-N 3.43Å; Y213-L216 PolarHBondContact O-N 2.98Å; Y213-G217 PolarHBondContact O-N 3.04Å |
| 214 | Q | 86.1 | Confident | 77.5 | Confident | 90 Ų | 90 | 69 Ų | 69 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 174.9 | -74.3 | -178.4 | -26 | 0 | 0 | 112 | R210 D211 V212 G217 A218 L788 | R210-Q214 HydrophobicContact CG-CG 4.49Å; R210-Q214 WeakPolarHBondContact O-CG 3.45Å; R210-Q214 PolarHBondContact O-N 3.33Å; D211-Q214 PolarHBondContact O-N 2.81Å; V212-Q214 VanDerWaalsContact C-N 3.33Å; V212-Q214 PolarHBondContact O-N 3.1Å; Q214-G217 PolarHBondContact O-N 2.94Å; Q214-A218 PolarHBondContact O-N 2.94Å; Q214-L788 HydrophobicContact CB-CD1 3.87Å |
| 215 | F | 83.5 | Confident | 79.2 | Confident | 7 Ų | 7 | 70 Ų | 70 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 174.8 | -179.9 | -104.6 | 0 | 0 | 0 | 111.7 | D211 V212 G217 A218 L219 F725 A729 L788 M793 L796 | D211-F215 WeakPolarHBondContact O-CB 3.46Å; D211-F215 PolarHBondContact O-N 3.28Å; V212-F215 PolarHBondContact O-N 2.88Å; F215-G217 VanDerWaalsContact C-N 3.28Å; F215-G217 PolarHBondContact O-N 3.39Å; F215-A218 WeakPolarHBondContact O-CA 3.36Å; F215-A218 WeakPolarHBondContact O-CB 3.34Å; F215-A218 PolarHBondContact O-N 3.41Å; F215-L219 HydrophobicContact CD1-CD1 3.89Å; F215-L219 HydrophobicContact CD1-CG 4.14Å; F215-L219 HydrophobicContact CE1-CD1 3.33Å; F215-L219 HydrophobicContact CE1-CD2 4.22Å; F215-L219 HydrophobicContact CE1-CG 3.7Å; F215-L219 HydrophobicContact CE2-CG 4.49Å; F215-L219 HydrophobicContact CZ-CD1 3.92Å; F215-L219 HydrophobicContact CZ-CD2 3.94Å; F215-L219 HydrophobicContact CZ-CG 3.88Å; F215-L219 PolarHBondContact O-N 2.91Å; F215-F725 HydrophobicContact CB-CE2 4.42Å; F215-F725 HydrophobicContact CB-CZ 4.17Å; F215-F725 AromaticContact CD1-CE2 3.28Å; F215-F725 HydrophobicContact CD1-CE2 3.28Å; F215-F725 AromaticContact CD1-CZ 3.25Å; F215-F725 HydrophobicContact CD1-CZ 3.25Å; F215-F725 AromaticContact CD2-CZ 3.78Å; F215-F725 HydrophobicContact CD2-CZ 3.78Å; F215-F725 HydrophobicContact CE1-CE1 4.37Å; F215-F725 AromaticContact CE1-CE2 3.51Å; F215-F725 HydrophobicContact CE1-CE2 3.51Å; F215-F725 AromaticContact CE1-CZ 3.34Å; F215-F725 HydrophobicContact CE1-CZ 3.34Å; F215-F725 AromaticContact CE2-CZ 3.89Å; F215-F725 HydrophobicContact CE2-CZ 3.89Å; F215-F725 AromaticContact CG-CE2 3.87Å; F215-F725 HydrophobicContact CG-CE2 3.87Å; F215-F725 AromaticContact CG-CZ 3.44Å; F215-F725 HydrophobicContact CG-CZ 3.44Å; F215-F725 VanDerWaalsContact CG-CZ 3.44Å; F215-F725 HydrophobicContact CZ-CE1 4.4Å; F215-F725 HydrophobicContact CZ-CE2 4.3Å; F215-F725 AromaticContact CZ-CZ 3.69Å; F215-F725 HydrophobicContact CZ-CZ 3.69Å; F215-A729 HydrophobicContact CE1-CB 3.74Å; F215-A729 HydrophobicContact CZ-CB 3.56Å; F215-L788 HydrophobicContact CB-CD2 3.89Å; F215-L788 HydrophobicContact CB-CG 4.44Å; F215-L788 HydrophobicContact CD2-CD2 3.64Å; F215-L788 HydrophobicContact CG-CD2 4.21Å; F215-M793 HydrophobicContact CD2-SD 4.38Å; F215-M793 HydrophobicContact CE2-CE 4.33Å; F215-M793 HydrophobicContact CE2-SD 4.23Å; F215-L796 HydrophobicContact CE2-CD2 4.06Å; F215-L796 HydrophobicContact CZ-CD2 3.97Å |
| 216 | L | 82.4 | Confident | 80.9 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 174.6 | -179.2 | 58.9 | 0 | 0 | 0 | 111.1 | V212 Y213 A218 L219 C220 I256 | V212-L216 WeakPolarHBondContact O-CB 3.35Å; V212-L216 PolarHBondContact O-N 3.19Å; Y213-L216 PolarHBondContact O-N 2.98Å; L216-A218 VanDerWaalsContact C-N 3.31Å; L216-A218 PolarHBondContact O-N 3.23Å; L216-L219 PolarHBondContact O-N 2.88Å; L216-C220 PolarHBondContact O-N 3.25Å; L216-C220 PolarHBondContact O-SG 3Å; L216-I256 HydrophobicContact CD1-CB 4.16Å; L216-I256 HydrophobicContact CD1-CD1 4.07Å; L216-I256 HydrophobicContact CD1-CG1 3.82Å; L216-I256 HydrophobicContact CD1-CG2 3.35Å |
| 217 | G | 85.5 | Confident | 82.3 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 46% | 0.464 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y213 Q214 F215 C220 G221 | Y213-G217 PolarHBondContact O-N 3.04Å; Q214-G217 PolarHBondContact O-N 2.94Å; F215-G217 VanDerWaalsContact C-N 3.28Å; F215-G217 PolarHBondContact O-N 3.39Å; G217-C220 WeakPolarHBondContact O-CB 3.46Å; G217-C220 PolarHBondContact O-N 2.85Å; G217-G221 PolarHBondContact O-N 3.16Å; G217-G221 VanDerWaalsContact O-N 3.17Å |
| 218 | A | 86.2 | Confident | 83.5 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q214 F215 L216 G221 V222 | Q214-A218 PolarHBondContact O-N 2.94Å; F215-A218 WeakPolarHBondContact O-CA 3.36Å; F215-A218 WeakPolarHBondContact O-CB 3.34Å; F215-A218 PolarHBondContact O-N 3.41Å; L216-A218 VanDerWaalsContact C-N 3.31Å; L216-A218 PolarHBondContact O-N 3.23Å; A218-G221 WeakPolarHBondContact O-CA 3.35Å; A218-G221 PolarHBondContact O-N 2.73Å; A218-G221 VanDerWaalsContact O-N 3.11Å; A218-V222 PolarHBondContact O-N 2.72Å; A218-V222 VanDerWaalsContact O-N 3.09Å |
| 219 | L | 86.2 | Confident | 84.4 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 173.2 | -74.2 | -176 | 0 | 0 | 0 | 111.8 | F215 L216 G221 V222 A223 V255 L733 | F215-L219 HydrophobicContact CD1-CD1 3.89Å; F215-L219 HydrophobicContact CD1-CG 4.14Å; F215-L219 HydrophobicContact CE1-CD1 3.33Å; F215-L219 HydrophobicContact CE1-CD2 4.22Å; F215-L219 HydrophobicContact CE1-CG 3.7Å; F215-L219 HydrophobicContact CE2-CG 4.49Å; F215-L219 HydrophobicContact CZ-CD1 3.92Å; F215-L219 HydrophobicContact CZ-CD2 3.94Å; F215-L219 HydrophobicContact CZ-CG 3.88Å; F215-L219 PolarHBondContact O-N 2.91Å; L216-L219 PolarHBondContact O-N 2.88Å; L219-G221 PolarHBondContact O-N 3.35Å; L219-V222 PolarHBondContact O-N 3.17Å; L219-V222 VanDerWaalsContact O-N 3.13Å; L219-A223 WeakPolarHBondContact O-CB 3.25Å; L219-A223 PolarHBondContact O-N 2.9Å; L219-V255 HydrophobicContact CB-CG1 3.88Å; L219-V255 HydrophobicContact CD2-CG1 4.23Å; L219-V255 VanDerWaalsContact O-CG1 3.29Å; L219-V255 WeakPolarHBondContact O-CG1 3.39Å; L219-L733 HydrophobicContact CD2-CD1 4.28Å; L219-L733 HydrophobicContact CD2-CD2 3.76Å; L219-L733 HydrophobicContact CD2-CG 4.11Å |
| 220 | C | 85.3 | Confident | 85.3 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.9 | -38.2 | 171.9 | -65 | 0 | 0 | 0 | 0 | 111.9 | L216 G217 A223 L224 I256 | L216-C220 PolarHBondContact O-N 3.25Å; L216-C220 PolarHBondContact O-SG 3Å; G217-C220 WeakPolarHBondContact O-CB 3.46Å; G217-C220 PolarHBondContact O-N 2.85Å; C220-A223 PolarHBondContact O-N 3.23Å; C220-L224 WeakPolarHBondContact O-CB 3.17Å; C220-L224 PolarHBondContact O-N 3.04Å; C220-I256 VanDerWaalsContact SG-CD1 3.54Å |
| 221 | G | 87.2 | Confident | 85.7 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G217 A218 L219 L224 V225 | G217-G221 PolarHBondContact O-N 3.16Å; G217-G221 VanDerWaalsContact O-N 3.17Å; A218-G221 WeakPolarHBondContact O-CA 3.35Å; A218-G221 PolarHBondContact O-N 2.73Å; A218-G221 VanDerWaalsContact O-N 3.11Å; L219-G221 PolarHBondContact O-N 3.35Å; G221-L224 PolarHBondContact O-N 3.4Å; G221-V225 WeakPolarHBondContact O-CG2 3.48Å; G221-V225 PolarHBondContact O-N 3.42Å; G221-V225 VanDerWaalsContact O-N 3.09Å |
| 222 | V | 86.3 | Confident | 86.1 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 174.7 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | A218 L219 L224 V225 G226 L733 | A218-V222 PolarHBondContact O-N 2.72Å; A218-V222 VanDerWaalsContact O-N 3.09Å; L219-V222 PolarHBondContact O-N 3.17Å; L219-V222 VanDerWaalsContact O-N 3.13Å; V222-L224 VanDerWaalsContact C-N 3.34Å; V222-L224 PolarHBondContact O-N 2.93Å; V222-V225 PolarHBondContact O-N 2.79Å; V222-G226 PolarHBondContact O-N 3.2Å; V222-L733 HydrophobicContact CG1-CD2 4.24Å |
| 223 | A | 86.7 | Confident | 86.4 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L219 C220 G226 L227 V252 V255 | L219-A223 WeakPolarHBondContact O-CB 3.25Å; L219-A223 PolarHBondContact O-N 2.9Å; C220-A223 PolarHBondContact O-N 3.23Å; A223-G226 PolarHBondContact O-N 3.47Å; A223-L227 VanDerWaalsContact O-CB 3.27Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 PolarHBondContact O-N 3.32Å; A223-V252 HydrophobicContact CB-CG2 4.36Å; A223-V255 HydrophobicContact CB-CB 3.87Å; A223-V255 HydrophobicContact CB-CG1 3.88Å; A223-V255 HydrophobicContact CB-CG2 4.01Å |
| 224 | L | 89 | Confident | 86.4 | Confident | 105 Ų | 105 | 50.8 Ų | 50.8 | 55% | 0.55 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 178.2 | -174.3 | 69.2 | 0 | 0 | 0 | 112 | C220 G221 V222 G226 L227 C228 | C220-L224 WeakPolarHBondContact O-CB 3.17Å; C220-L224 PolarHBondContact O-N 3.04Å; G221-L224 PolarHBondContact O-N 3.4Å; V222-L224 VanDerWaalsContact C-N 3.34Å; V222-L224 PolarHBondContact O-N 2.93Å; L224-G226 VanDerWaalsContact C-N 3.35Å; L224-L227 HydrophobicContact CD1-CD2 4.2Å; L224-L227 WeakPolarHBondContact O-CB 3.49Å; L224-L227 PolarHBondContact O-N 3.08Å; L224-C228 PolarHBondContact O-N 2.99Å; L224-C228 PolarHBondContact O-SG 2.94Å |
| 225 | V | 89.2 | Confident | 86.4 | Confident | 98 Ų | 98 | 54.6 Ų | 54.6 | 59% | 0.594 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.9 | -46.3 | 175 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | G221 V222 L227 C228 V229 | G221-V225 WeakPolarHBondContact O-CG2 3.48Å; G221-V225 PolarHBondContact O-N 3.42Å; G221-V225 VanDerWaalsContact O-N 3.09Å; V222-V225 PolarHBondContact O-N 2.79Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 3.25Å; V225-C228 PolarHBondContact O-N 3.4Å; V225-V229 WeakPolarHBondContact O-CG2 3.36Å; V225-V229 PolarHBondContact O-N 3.37Å |
| 226 | G | 86.7 | Confident | 86.5 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V222 A223 L224 C228 V229 T230 L251 M740 | V222-G226 PolarHBondContact O-N 3.2Å; A223-G226 PolarHBondContact O-N 3.47Å; L224-G226 VanDerWaalsContact C-N 3.35Å; G226-C228 PolarHBondContact O-N 2.92Å; G226-V229 PolarHBondContact O-N 3.02Å; G226-T230 PolarHBondContact O-N 2.88Å; G226-T230 PolarHBondContact O-OG1 3.01Å; G226-L251 VanDerWaalsContact CA-CD2 3.48Å; G226-M740 WeakPolarHBondContact O-CE 3.45Å |
| 227 | L | 88.5 | Confident | 86.2 | Confident | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57 | -49.4 | 176.1 | -176.4 | 78.1 | 0 | 0 | 0 | 110.9 | A223 L224 V225 V229 T230 I231 P248 L249 V252 | A223-L227 VanDerWaalsContact O-CB 3.27Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 PolarHBondContact O-N 3.32Å; L224-L227 HydrophobicContact CD1-CD2 4.2Å; L224-L227 WeakPolarHBondContact O-CB 3.49Å; L224-L227 PolarHBondContact O-N 3.08Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 3.25Å; L227-V229 PolarHBondContact O-N 3.23Å; L227-T230 PolarHBondContact O-N 3.45Å; L227-I231 HydrophobicContact CD1-CD1 4.44Å; L227-I231 HydrophobicContact CG-CD1 3.97Å; L227-I231 VanDerWaalsContact O-CG1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.11Å; L227-I231 PolarHBondContact O-N 2.91Å; L227-P248 HydrophobicContact CD1-CB 3.33Å; L227-P248 WeakPolarHBondContact CD1-O 3.16Å; L227-P248 HydrophobicContact CG-CB 4.34Å; L227-L249 HydrophobicContact CD1-CD2 4.44Å; L227-V252 HydrophobicContact CD1-CG2 4.14Å; L227-V252 HydrophobicContact CD2-CG2 4.47Å |
| 228 | C | 90 | Very high | 86 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 178.2 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | L224 V225 G226 I231 Y232 | L224-C228 PolarHBondContact O-N 2.99Å; L224-C228 PolarHBondContact O-SG 2.94Å; V225-C228 PolarHBondContact O-N 3.4Å; G226-C228 PolarHBondContact O-N 2.92Å; C228-I231 PolarHBondContact O-N 3.32Å; C228-Y232 WeakPolarHBondContact O-CB 3.18Å; C228-Y232 PolarHBondContact O-N 3.24Å |
| 229 | V | 87.9 | Confident | 85.5 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | V225 G226 L227 Y232 L233 M740 | V225-V229 WeakPolarHBondContact O-CG2 3.36Å; V225-V229 PolarHBondContact O-N 3.37Å; G226-V229 PolarHBondContact O-N 3.02Å; L227-V229 PolarHBondContact O-N 3.23Å; V229-Y232 PolarHBondContact O-N 3.36Å; V229-L233 HydrophobicContact CG1-CD1 4.02Å; V229-L233 HydrophobicContact CG1-CG 4.45Å; V229-L233 VanDerWaalsContact O-CG 3.3Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 3.42Å; V229-M740 HydrophobicContact CB-CE 4.01Å; V229-M740 HydrophobicContact CG1-CE 3.95Å |
| 230 | T | 85.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | G226 L227 Y232 L233 M234 P248 M740 F743 | G226-T230 PolarHBondContact O-N 2.88Å; G226-T230 PolarHBondContact O-OG1 3.01Å; L227-T230 PolarHBondContact O-N 3.45Å; T230-Y232 VanDerWaalsContact C-N 3.26Å; T230-Y232 PolarHBondContact O-N 3.26Å; T230-L233 PolarHBondContact O-N 2.7Å; T230-L233 VanDerWaalsContact O-N 3.17Å; T230-M234 HydrophobicContact CG2-CG 4.11Å; T230-M234 HydrophobicContact CG2-SD 3.9Å; T230-M234 WeakPolarHBondContact O-CG 3.16Å; T230-M234 PolarHBondContact O-N 2.71Å; T230-P248 HydrophobicContact CG2-CB 4.03Å; T230-P248 HydrophobicContact CG2-CG 3.76Å; T230-M740 WeakPolarHBondContact OG1-CE 3.48Å; T230-F743 HydrophobicContact CG2-CB 4.12Å; T230-F743 HydrophobicContact CG2-CD1 4.49Å; T230-F743 HydrophobicContact CG2-CD2 3.25Å; T230-F743 HydrophobicContact CG2-CE2 3.62Å; T230-F743 HydrophobicContact CG2-CG 3.74Å; T230-F743 HydrophobicContact CG2-CZ 4.4Å |
| 231 | I | 88.1 | Confident | 85.3 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 35% | 0.349 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.1 | -44.5 | 177.2 | -71 | 169 | 0 | 0 | 0 | 110.2 | L227 C228 M234 Y235 I244 P248 | L227-I231 HydrophobicContact CD1-CD1 4.44Å; L227-I231 HydrophobicContact CG-CD1 3.97Å; L227-I231 VanDerWaalsContact O-CG1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.11Å; L227-I231 PolarHBondContact O-N 2.91Å; C228-I231 PolarHBondContact O-N 3.32Å; I231-M234 PolarHBondContact O-N 3.08Å; I231-Y235 VanDerWaalsContact O-CB 3.29Å; I231-Y235 WeakPolarHBondContact O-CB 3.44Å; I231-Y235 PolarHBondContact O-N 2.88Å; I231-I244 HydrophobicContact CG2-CG2 4.04Å; I231-P248 HydrophobicContact CG1-CB 3.99Å; I231-P248 HydrophobicContact CG1-CG 3.84Å |
| 232 | Y | 88 | Confident | 85 | Confident | 145 Ų | 145 | 83.7 Ų | 83.7 | 57% | 0.569 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.8 | -46.4 | 176.5 | 174.3 | -100.9 | 0 | 0 | 0 | 112.4 | C228 V229 T230 Y235 W236 | C228-Y232 WeakPolarHBondContact O-CB 3.18Å; C228-Y232 PolarHBondContact O-N 3.24Å; V229-Y232 PolarHBondContact O-N 3.36Å; T230-Y232 VanDerWaalsContact C-N 3.26Å; T230-Y232 PolarHBondContact O-N 3.26Å; Y232-Y235 PolarHBondContact O-N 3.37Å; Y232-W236 PolarHBondContact O-N 3.48Å |
| 233 | L | 84.1 | Confident | 84.8 | Confident | 45 Ų | 45 | 85.4 Ų | 85.4 | 24% | 0.236 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 177.7 | -70.1 | 172.6 | 0 | 0 | 0 | 112.2 | V229 T230 W236 N237 V744 | V229-L233 HydrophobicContact CG1-CD1 4.02Å; V229-L233 HydrophobicContact CG1-CG 4.45Å; V229-L233 VanDerWaalsContact O-CG 3.3Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 3.42Å; T230-L233 PolarHBondContact O-N 2.7Å; T230-L233 VanDerWaalsContact O-N 3.17Å; L233-W236 PolarHBondContact O-N 3.39Å; L233-N237 WeakPolarHBondContact O-CB 3.33Å; L233-N237 PolarHBondContact O-N 3.42Å; L233-N237 PolarHBondContact O-ND2 3.21Å; L233-V744 HydrophobicContact CD1-CG2 4.24Å |
| 234 | M | 82.6 | Confident | 84.6 | Confident | 17 Ų | 17 | 86.3 Ų | 86.3 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 179.8 | -66.5 | -174.7 | 84.3 | 0 | 0 | 112.3 | T230 I231 N237 K238 K239 Y243 I244 R247 P248 | T230-M234 HydrophobicContact CG2-CG 4.11Å; T230-M234 HydrophobicContact CG2-SD 3.9Å; T230-M234 WeakPolarHBondContact O-CG 3.16Å; T230-M234 PolarHBondContact O-N 2.71Å; I231-M234 PolarHBondContact O-N 3.08Å; M234-N237 PolarHBondContact O-N 3.18Å; M234-K238 PolarHBondContact O-N 3.44Å; M234-K239 PolarHBondContact O-N 2.82Å; M234-Y243 WeakPolarHBondContact CE-O 3.26Å; M234-I244 HydrophobicContact CB-CG1 3.98Å; M234-R247 HydrophobicContact CE-CB 3.88Å; M234-R247 HydrophobicContact CE-CG 4.14Å; M234-R247 HydrophobicContact SD-CB 4.13Å; M234-P248 HydrophobicContact SD-CG 3.69Å |
| 235 | Y | 86 | Confident | 84.4 | Confident | 171 Ų | 171 | 86 Ų | 86 | 67% | 0.671 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.2 | -44.7 | 171.8 | -179.5 | -100.1 | 0 | 0 | 0 | 111.2 | I231 Y232 N237 K238 | I231-Y235 VanDerWaalsContact O-CB 3.29Å; I231-Y235 WeakPolarHBondContact O-CB 3.44Å; I231-Y235 PolarHBondContact O-N 2.88Å; Y232-Y235 PolarHBondContact O-N 3.37Å; Y235-N237 VanDerWaalsContact C-N 3.29Å; Y235-N237 PolarHBondContact O-N 3.27Å; Y235-K238 PolarHBondContact O-N 3.46Å; Y235-K238 VanDerWaalsContact O-N 3.12Å |
| 236 | W | 84.2 | Confident | 84.1 | Confident | 185 Ų | 185 | 82.9 Ų | 82.9 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.8 | -37.3 | 176.2 | -168.3 | -96.4 | 0 | 0 | 0 | 112.6 | Y232 L233 K238 | Y232-W236 PolarHBondContact O-N 3.48Å; L233-W236 PolarHBondContact O-N 3.39Å; W236-K238 PolarHBondContact O-N 3.18Å |
| 237 | N | 76.5 | Confident | 83.9 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 7.8 | 177.5 | -71.1 | -22.5 | 0 | 0 | 0 | 114.2 | L233 M234 Y235 K239 | L233-N237 WeakPolarHBondContact O-CB 3.33Å; L233-N237 PolarHBondContact O-N 3.42Å; L233-N237 PolarHBondContact O-ND2 3.21Å; M234-N237 PolarHBondContact O-N 3.18Å; Y235-N237 VanDerWaalsContact C-N 3.29Å; Y235-N237 PolarHBondContact O-N 3.27Å; N237-K239 VanDerWaalsContact C-N 3.3Å; N237-K239 HydrophobicContact CB-CG 4.38Å; N237-K239 PolarHBondContact O-N 3.49Å |
| 238 | K | 81.7 | Confident | 83.6 | Confident | 194 Ų | 194 | 82.2 Ų | 82.2 | 84% | 0.843 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.3 | 177.2 | -59.3 | -175.2 | 179.8 | -179.2 | 0 | 114.1 | M234 Y235 W236 | M234-K238 PolarHBondContact O-N 3.44Å; Y235-K238 PolarHBondContact O-N 3.46Å; Y235-K238 VanDerWaalsContact O-N 3.12Å; W236-K238 PolarHBondContact O-N 3.18Å |
| 239 | K | 76.1 | Confident | 83.4 | Confident | 54 Ų | 54 | 81.1 Ų | 81.1 | 24% | 0.235 | 37% | 0.369 | C | S | . | . | trans | -77 | 158.6 | 174.6 | -64.3 | -60.9 | -171.1 | 177.5 | 0 | 111.5 | M234 N237 I244 Y824 | M234-K239 PolarHBondContact O-N 2.82Å; N237-K239 VanDerWaalsContact C-N 3.3Å; N237-K239 HydrophobicContact CB-CG 4.38Å; N237-K239 PolarHBondContact O-N 3.49Å; K239-I244 HydrophobicContact CB-CG1 4.25Å; K239-I244 VanDerWaalsContact O-CD1 3.23Å; K239-I244 WeakPolarHBondContact O-CD1 3.33Å; K239-Y824 WeakPolarHBondContact CE-OH 3.15Å; K239-Y824 PolarHBondContact NZ-OH 3.38Å | ||
| 240 | D | 82.8 | Confident | 83.2 | Confident | 115 Ų | 115 | 77.9 Ų | 77.9 | 62% | 0.615 | 35% | 0.349 | S | S | * | . | trans | -63.4 | 148 | 178.4 | -65.7 | -36.7 | 0 | 0 | 0 | 111.8 | Y242 Y243 I244 | D240-Y242 VanDerWaalsContact C-N 3.28Å; D240-Y242 PolarHBondContact O-N 3.38Å; D240-Y243 HydrophobicContact CB-CD2 3.9Å; D240-Y243 WeakPolarHBondContact O-CA 3.45Å; D240-Y243 WeakPolarHBondContact O-CB 3.38Å; D240-Y243 PolarHBondContact O-N 2.84Å; D240-I244 WeakPolarHBondContact O-CG1 3.28Å; D240-I244 PolarHBondContact O-N 3.38Å | ||
| 241 | L | 83.1 | Confident | 83.2 | Confident | 126 Ų | 126 | 77.9 Ų | 77.9 | 66% | 0.66 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.1 | -39.3 | -175.5 | -175.7 | 66.9 | 0 | 0 | 0 | 113 | Y243 I244 I245 | L241-Y243 VanDerWaalsContact C-N 3.29Å; L241-Y243 PolarHBondContact O-N 2.98Å; L241-I244 PolarHBondContact O-N 3.35Å; L241-I245 HydrophobicContact CD1-CD1 4.16Å; L241-I245 HydrophobicContact CD1-CG1 4.45Å; L241-I245 HydrophobicContact CG-CD1 4Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.22Å |
| 242 | Y | 81.8 | Confident | 82.9 | Confident | 127 Ų | 127 | 76.3 Ų | 76.3 | 50% | 0.498 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.8 | -44 | 175.5 | 173.6 | -94.4 | 0 | 0 | 0 | 111.6 | C34 D240 I245 L246 | C34-Y242 PolarHBondContact O-OH 3.1Å; D240-Y242 VanDerWaalsContact C-N 3.28Å; D240-Y242 PolarHBondContact O-N 3.38Å; Y242-I245 PolarHBondContact O-N 2.87Å; Y242-L246 HydrophobicContact CD1-CD1 4.33Å; Y242-L246 HydrophobicContact CD2-CD1 3.67Å; Y242-L246 HydrophobicContact CE1-CD1 3.84Å; Y242-L246 HydrophobicContact CE2-CD1 3.1Å; Y242-L246 HydrophobicContact CE2-CG 4.44Å; Y242-L246 HydrophobicContact CG-CD1 4.26Å; Y242-L246 PolarHBondContact O-N 3.26Å; Y242-L246 VanDerWaalsContact O-N 3.09Å; Y242-L246 WeakPolarHBondContact OH-CD1 3.48Å |
| 243 | Y | 81.3 | Confident | 82.9 | Confident | 97 Ų | 97 | 69.7 Ų | 69.7 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.2 | -38.7 | 177.8 | -75.7 | -99.1 | 0 | 0 | 0 | 111.9 | M234 D240 L241 I245 R247 | M234-Y243 WeakPolarHBondContact CE-O 3.26Å; D240-Y243 HydrophobicContact CB-CD2 3.9Å; D240-Y243 WeakPolarHBondContact O-CA 3.45Å; D240-Y243 WeakPolarHBondContact O-CB 3.38Å; D240-Y243 PolarHBondContact O-N 2.84Å; L241-Y243 VanDerWaalsContact C-N 3.29Å; L241-Y243 PolarHBondContact O-N 2.98Å; Y243-I245 VanDerWaalsContact C-N 3.28Å; Y243-I245 PolarHBondContact O-N 3.32Å; Y243-R247 HydrophobicContact CD1-CG 4.22Å; Y243-R247 WeakPolarHBondContact O-CB 3.28Å; Y243-R247 PolarHBondContact O-N 2.89Å; Y243-R247 VanDerWaalsContact O-N 3.16Å |
| 244 | I | 83.6 | Confident | 83.1 | Confident | 20 Ų | 20 | 68 Ų | 68 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 178.3 | -65.5 | 172.6 | 0 | 0 | 0 | 111.7 | I231 M234 K239 D240 L241 P248 | I231-I244 HydrophobicContact CG2-CG2 4.04Å; M234-I244 HydrophobicContact CB-CG1 3.98Å; K239-I244 HydrophobicContact CB-CG1 4.25Å; K239-I244 VanDerWaalsContact O-CD1 3.23Å; K239-I244 WeakPolarHBondContact O-CD1 3.33Å; D240-I244 WeakPolarHBondContact O-CG1 3.28Å; D240-I244 PolarHBondContact O-N 3.38Å; L241-I244 PolarHBondContact O-N 3.35Å; I244-P248 WeakPolarHBondContact O-CD 3.23Å; I244-P248 WeakPolarHBondContact O-CG 3.48Å |
| 245 | I | 83.7 | Confident | 83.2 | Confident | 98 Ų | 98 | 67.2 Ų | 67.2 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -84 | -48.3 | -178.8 | -65.5 | 171.5 | 0 | 0 | 0 | 111.2 | L241 Y242 Y243 | L241-I245 HydrophobicContact CD1-CD1 4.16Å; L241-I245 HydrophobicContact CD1-CG1 4.45Å; L241-I245 HydrophobicContact CG-CD1 4Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.22Å; Y242-I245 PolarHBondContact O-N 2.87Å; Y243-I245 VanDerWaalsContact C-N 3.28Å; Y243-I245 PolarHBondContact O-N 3.32Å |
| 246 | L | 83.2 | Confident | 83 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -82.2 | -44.7 | -170.2 | -74.1 | 171 | 0 | 0 | 0 | 113.8 | V35 Y242 L249 | V35-L246 HydrophobicContact CG2-CB 4.31Å; Y242-L246 HydrophobicContact CD1-CD1 4.33Å; Y242-L246 HydrophobicContact CD2-CD1 3.67Å; Y242-L246 HydrophobicContact CE1-CD1 3.84Å; Y242-L246 HydrophobicContact CE2-CD1 3.1Å; Y242-L246 HydrophobicContact CE2-CG 4.44Å; Y242-L246 HydrophobicContact CG-CD1 4.26Å; Y242-L246 PolarHBondContact O-N 3.26Å; Y242-L246 VanDerWaalsContact O-N 3.09Å; Y242-L246 WeakPolarHBondContact OH-CD1 3.48Å; L246-L249 HydrophobicContact CD2-CD1 4.25Å; L246-L249 VanDerWaalsContact O-CB 3.32Å; L246-L249 WeakPolarHBondContact O-CB 3.39Å; L246-L249 PolarHBondContact O-N 3.06Å |
| 247 | R | 82.2 | Confident | 82.8 | Confident | 21 Ų | 21 | 51 Ų | 51 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | -175.9 | -70.4 | -67 | -159.1 | -156.1 | -5.2 | 113.3 | M234 Y243 L249 D250 F743 E831 | M234-R247 HydrophobicContact CE-CB 3.88Å; M234-R247 HydrophobicContact CE-CG 4.14Å; M234-R247 HydrophobicContact SD-CB 4.13Å; Y243-R247 HydrophobicContact CD1-CG 4.22Å; Y243-R247 WeakPolarHBondContact O-CB 3.28Å; Y243-R247 PolarHBondContact O-N 2.89Å; Y243-R247 VanDerWaalsContact O-N 3.16Å; R247-L249 PolarHBondContact O-N 3.02Å; R247-D250 WeakPolarHBondContact O-CB 3.29Å; R247-D250 PolarHBondContact O-N 3.31Å; R247-F743 HydrophobicContact CB-CE1 4.36Å; R247-F743 HydrophobicContact CB-CZ 4.36Å; R247-E831 IonicContact CZ-OE1 3.26Å; R247-E831 IonicContact NE-OE1 3.85Å; R247-E831 PolarHBondContact NE-OE1 3.28Å; R247-E831 IonicContact NH2-OE1 2.75Å; R247-E831 PolarHBondContact NH2-OE1 3.48Å; R247-E831 IonicContact NH2-OE2 3.18Å; R247-E831 PolarHBondContact NH2-OE2 2.83Å |
| 248 | P | 83.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -22 | 177.5 | -26.7 | 40.4 | 0 | 0 | 0 | 113.7 | L227 T230 I231 M234 I244 D250 L251 | L227-P248 HydrophobicContact CD1-CB 3.33Å; L227-P248 WeakPolarHBondContact CD1-O 3.16Å; L227-P248 HydrophobicContact CG-CB 4.34Å; T230-P248 HydrophobicContact CG2-CB 4.03Å; T230-P248 HydrophobicContact CG2-CG 3.76Å; I231-P248 HydrophobicContact CG1-CB 3.99Å; I231-P248 HydrophobicContact CG1-CG 3.84Å; M234-P248 HydrophobicContact SD-CG 3.69Å; I244-P248 WeakPolarHBondContact O-CD 3.23Å; I244-P248 WeakPolarHBondContact O-CG 3.48Å; P248-D250 PolarHBondContact O-N 2.81Å; P248-L251 VanDerWaalsContact O-CB 3.28Å; P248-L251 WeakPolarHBondContact O-CB 3.48Å; P248-L251 PolarHBondContact O-N 2.69Å; P248-L251 VanDerWaalsContact O-N 3.12Å |
| 249 | L | 85.7 | Confident | 82.3 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.3 | -25.7 | 176.1 | -65 | 172.4 | 0 | 0 | 0 | 112.6 | I31 L227 L246 R247 L251 V252 T253 | I31-L249 HydrophobicContact CD1-CD1 4.14Å; I31-L249 HydrophobicContact CG2-CB 4.23Å; L227-L249 HydrophobicContact CD1-CD2 4.44Å; L246-L249 HydrophobicContact CD2-CD1 4.25Å; L246-L249 VanDerWaalsContact O-CB 3.32Å; L246-L249 WeakPolarHBondContact O-CB 3.39Å; L246-L249 PolarHBondContact O-N 3.06Å; R247-L249 PolarHBondContact O-N 3.02Å; L249-L251 PolarHBondContact O-N 3.48Å; L249-V252 WeakPolarHBondContact O-CB 3.29Å; L249-V252 PolarHBondContact O-N 2.84Å; L249-T253 PolarHBondContact O-N 2.9Å |
| 250 | D | 82.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.8 | -36.7 | 171.5 | -63.4 | -13 | 0 | 0 | 0 | 110.7 | W32 R247 P248 V252 T253 I254 N748 | W32-D250 HydrophobicContact CH2-CB 4.29Å; R247-D250 WeakPolarHBondContact O-CB 3.29Å; R247-D250 PolarHBondContact O-N 3.31Å; P248-D250 PolarHBondContact O-N 2.81Å; D250-V252 VanDerWaalsContact C-N 3.29Å; D250-V252 PolarHBondContact O-N 3.25Å; D250-T253 PolarHBondContact O-N 3.47Å; D250-T253 PolarHBondContact O-OG1 3.16Å; D250-I254 WeakPolarHBondContact O-CB 3.16Å; D250-I254 WeakPolarHBondContact O-CD1 3.18Å; D250-I254 WeakPolarHBondContact O-CG1 3.49Å; D250-I254 PolarHBondContact O-N 3.18Å; D250-N748 PolarHBondContact OD2-ND2 3.26Å |
| 251 | L | 85.4 | Confident | 82 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -35.8 | 179.4 | -165.7 | 68.2 | 0 | 0 | 0 | 112 | G226 P248 L249 V255 S736 M740 | G226-L251 VanDerWaalsContact CA-CD2 3.48Å; P248-L251 VanDerWaalsContact O-CB 3.28Å; P248-L251 WeakPolarHBondContact O-CB 3.48Å; P248-L251 PolarHBondContact O-N 2.69Å; P248-L251 VanDerWaalsContact O-N 3.12Å; L249-L251 PolarHBondContact O-N 3.48Å; L251-V255 HydrophobicContact CG-CG2 4.48Å; L251-V255 WeakPolarHBondContact O-CB 3.46Å; L251-V255 WeakPolarHBondContact O-CG2 3.18Å; L251-V255 PolarHBondContact O-N 3.44Å; L251-V255 VanDerWaalsContact O-N 3.08Å; L251-S736 WeakPolarHBondContact CD1-O 3.32Å; L251-S736 WeakPolarHBondContact CD1-OG 3.47Å; L251-M740 HydrophobicContact CD1-CG 3.91Å; L251-M740 HydrophobicContact CD2-CE 3.9Å; L251-M740 HydrophobicContact CD2-CG 4.07Å; L251-M740 HydrophobicContact CD2-SD 4.03Å |
| 252 | V | 82.1 | Confident | 81.7 | Confident | 35 Ų | 35 | 31.9 Ų | 31.9 | 21% | 0.212 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69 | -39.7 | 179 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | A223 L227 L249 D250 | A223-V252 HydrophobicContact CB-CG2 4.36Å; L227-V252 HydrophobicContact CD1-CG2 4.14Å; L227-V252 HydrophobicContact CD2-CG2 4.47Å; L249-V252 WeakPolarHBondContact O-CB 3.29Å; L249-V252 PolarHBondContact O-N 2.84Å; D250-V252 VanDerWaalsContact C-N 3.29Å; D250-V252 PolarHBondContact O-N 3.25Å |
| 253 | T | 87.3 | Confident | 81.7 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.2 | -32.1 | 178.4 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | I28 I31 W32 L249 D250 | I28-T253 HydrophobicContact CB-CG2 4.46Å; I28-T253 HydrophobicContact CG1-CG2 4.01Å; I28-T253 HydrophobicContact CG2-CG2 4.4Å; I31-T253 HydrophobicContact CB-CG2 4.21Å; I31-T253 HydrophobicContact CG2-CG2 4.05Å; W32-T253 WeakPolarHBondContact CZ2-OG1 3.24Å; L249-T253 PolarHBondContact O-N 2.9Å; D250-T253 PolarHBondContact O-N 3.47Å; D250-T253 PolarHBondContact O-OG1 3.16Å |
| 254 | I | 88.6 | Confident | 81.7 | Confident | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73.2 | -42.2 | 177.6 | -69.3 | 166.1 | 0 | 0 | 0 | 112.4 | W32 D250 I256 S732 Q735 I739 Y754 | W32-I254 HydrophobicContact CH2-CD1 4.23Å; W32-I254 HydrophobicContact CH2-CG1 4.28Å; W32-I254 HydrophobicContact CZ2-CD1 4.47Å; W32-I254 HydrophobicContact CZ2-CG1 4.02Å; D250-I254 WeakPolarHBondContact O-CB 3.16Å; D250-I254 WeakPolarHBondContact O-CD1 3.18Å; D250-I254 WeakPolarHBondContact O-CG1 3.49Å; D250-I254 PolarHBondContact O-N 3.18Å; I254-I256 PolarHBondContact O-N 3.37Å; I254-S732 WeakPolarHBondContact O-CB 3.5Å; I254-Q735 HydrophobicContact CG2-CB 3.87Å; I254-Q735 HydrophobicContact CG2-CG 3.69Å; I254-I739 HydrophobicContact CD1-CG1 3.77Å; I254-Y754 HydrophobicContact CD1-CE1 3.9Å |
| 255 | V | 86.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63 | -30.9 | -175.3 | 167.8 | 0 | 0 | 0 | 0 | 111.9 | L219 A223 L251 P257 S732 S736 | L219-V255 HydrophobicContact CB-CG1 3.88Å; L219-V255 HydrophobicContact CD2-CG1 4.23Å; L219-V255 VanDerWaalsContact O-CG1 3.29Å; L219-V255 WeakPolarHBondContact O-CG1 3.39Å; A223-V255 HydrophobicContact CB-CB 3.87Å; A223-V255 HydrophobicContact CB-CG1 3.88Å; A223-V255 HydrophobicContact CB-CG2 4.01Å; L251-V255 HydrophobicContact CG-CG2 4.48Å; L251-V255 WeakPolarHBondContact O-CB 3.46Å; L251-V255 WeakPolarHBondContact O-CG2 3.18Å; L251-V255 PolarHBondContact O-N 3.44Å; L251-V255 VanDerWaalsContact O-N 3.08Å; V255-P257 WeakPolarHBondContact O-CD 3.45Å; V255-S732 PolarHBondContact O-OG 3.07Å; V255-S732 VanDerWaalsContact O-OG 3.13Å; V255-S736 VanDerWaalsContact CG2-OG 3.25Å; V255-S736 WeakPolarHBondContact CG2-OG 3.48Å |
| 256 | I | 80.9 | Confident | 81.7 | Confident | 15 Ų | 15 | 19.9 Ų | 19.9 | 8% | 0.077 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -100.4 | 100.2 | -179.6 | -58.6 | 171.2 | 0 | 0 | 0 | 109.9 | F24 L216 C220 I254 P258 | F24-I256 HydrophobicContact CD1-CG2 3.99Å; F24-I256 HydrophobicContact CE1-CB 3.6Å; F24-I256 HydrophobicContact CE1-CD1 4.3Å; F24-I256 HydrophobicContact CE1-CG2 3.22Å; F24-I256 HydrophobicContact CE2-CD1 4.09Å; F24-I256 HydrophobicContact CZ-CB 3.66Å; F24-I256 HydrophobicContact CZ-CD1 3.62Å; F24-I256 HydrophobicContact CZ-CG1 4.21Å; F24-I256 HydrophobicContact CZ-CG2 3.71Å; L216-I256 HydrophobicContact CD1-CB 4.16Å; L216-I256 HydrophobicContact CD1-CD1 4.07Å; L216-I256 HydrophobicContact CD1-CG1 3.82Å; L216-I256 HydrophobicContact CD1-CG2 3.35Å; C220-I256 VanDerWaalsContact SG-CD1 3.54Å; I254-I256 PolarHBondContact O-N 3.37Å; I256-P258 VanDerWaalsContact O-CD 3.27Å; I256-P258 WeakPolarHBondContact O-CD 3.49Å; I256-P258 VanDerWaalsContact O-N 3.17Å |
| 257 | P | 78.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.013 | 11% | 0.109 | C | C | . | . | trans | -65 | 115.3 | -176.4 | 22 | -32 | 0 | 0 | 0 | 111.9 | V255 I259 L260 Y731 | V255-P257 WeakPolarHBondContact O-CD 3.45Å; P257-I259 PolarHBondContact O-N 3.14Å; P257-L260 HydrophobicContact CB-CB 4.38Å; P257-L260 HydrophobicContact CG-CB 4Å; P257-L260 HydrophobicContact CG-CD1 4.28Å; P257-L260 HydrophobicContact CG-CD2 4.32Å; P257-L260 HydrophobicContact CG-CG 4.44Å; P257-L260 WeakPolarHBondContact O-CB 3.46Å; P257-L260 PolarHBondContact O-N 3.19Å; P257-Y731 HydrophobicContact CB-CE1 4.02Å; P257-Y731 WeakPolarHBondContact CB-OH 3.41Å | ||
| 258 | P | 71.4 | Confident | 82.1 | Confident | 24 Ų | 24 | 18.3 Ų | 18.3 | 16% | 0.156 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 11.2 | -176.6 | 33.4 | -37.5 | 0 | 0 | 0 | 113.5 | F21 Q25 I28 I256 | F21-P258 VanDerWaalsContact CE2-C 3.49Å; F21-P258 VanDerWaalsContact CE2-O 3.29Å; F21-P258 WeakPolarHBondContact CE2-O 3.5Å; F21-P258 WeakPolarHBondContact CZ-O 3.47Å; Q25-P258 HydrophobicContact CG-CB 4.08Å; Q25-P258 PolarHBondContact NE2-O 3.48Å; I28-P258 HydrophobicContact CD1-CB 3.74Å; I28-P258 HydrophobicContact CD1-CG 4.32Å; I256-P258 VanDerWaalsContact O-CD 3.27Å; I256-P258 WeakPolarHBondContact O-CD 3.49Å; I256-P258 VanDerWaalsContact O-N 3.17Å |
| 259 | I | 77.2 | Confident | 82.3 | Confident | 25 Ų | 25 | 20 Ų | 20 | 13% | 0.128 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -2.1 | 173.7 | -163.1 | 160.5 | 0 | 0 | 0 | 111.9 | F47 P257 V262 A263 M728 T763 | F47-I259 HydrophobicContact CE1-CD1 3.79Å; F47-I259 HydrophobicContact CE1-CG1 4.42Å; F47-I259 HydrophobicContact CZ-CD1 4.05Å; P257-I259 PolarHBondContact O-N 3.14Å; I259-V262 HydrophobicContact CG1-CB 4.13Å; I259-V262 WeakPolarHBondContact O-CB 3.32Å; I259-V262 PolarHBondContact O-N 2.59Å; I259-V262 VanDerWaalsContact O-N 3.1Å; I259-A263 WeakPolarHBondContact O-CB 3.33Å; I259-A263 PolarHBondContact O-N 2.92Å; I259-M728 HydrophobicContact CG2-CE 4.03Å; I259-M728 HydrophobicContact CG2-SD 3.53Å; I259-M728 VanDerWaalsContact CG2-SD 3.53Å; I259-T763 HydrophobicContact CD1-CG2 4.46Å |
| 260 | L | 78.6 | Confident | 82.5 | Confident | 9 Ų | 9 | 19.2 Ų | 19.2 | 5% | 0.047 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.7 | -50.4 | -168.7 | -174.1 | 69.8 | 0 | 0 | 0 | 114.9 | P257 V262 A263 M264 F725 M728 | P257-L260 HydrophobicContact CB-CB 4.38Å; P257-L260 HydrophobicContact CG-CB 4Å; P257-L260 HydrophobicContact CG-CD1 4.28Å; P257-L260 HydrophobicContact CG-CD2 4.32Å; P257-L260 HydrophobicContact CG-CG 4.44Å; P257-L260 WeakPolarHBondContact O-CB 3.46Å; P257-L260 PolarHBondContact O-N 3.19Å; L260-V262 VanDerWaalsContact C-N 3.35Å; L260-V262 PolarHBondContact O-N 2.96Å; L260-A263 PolarHBondContact O-N 2.92Å; L260-M264 HydrophobicContact CD1-SD 4.17Å; L260-M264 HydrophobicContact CG-SD 3.95Å; L260-M264 WeakPolarHBondContact O-CG 3.5Å; L260-M264 PolarHBondContact O-N 3.09Å; L260-F725 HydrophobicContact CD1-CD2 3.97Å; L260-F725 HydrophobicContact CD2-CD2 4.44Å; L260-F725 HydrophobicContact CD2-CE2 4.5Å; L260-M728 HydrophobicContact CD1-CB 3.49Å; L260-M728 VanDerWaalsContact CD1-CB 3.49Å; L260-M728 HydrophobicContact CD1-CG 4.28Å |
| 261 | P | 74.4 | Confident | 82.9 | Confident | 54 Ų | 54 | 19.2 Ų | 19.2 | 35% | 0.351 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 177.6 | -20.5 | 35.1 | 0 | 0 | 0 | 113.2 | F21 M264 S265 | F21-P261 HydrophobicContact CD1-CG 4.38Å; F21-P261 HydrophobicContact CD2-CG 3.49Å; F21-P261 VanDerWaalsContact CD2-CG 3.49Å; F21-P261 HydrophobicContact CE1-CG 4.35Å; F21-P261 HydrophobicContact CE2-CG 3.5Å; F21-P261 HydrophobicContact CG-CG 3.9Å; F21-P261 HydrophobicContact CZ-CG 3.87Å; P261-M264 PolarHBondContact O-N 2.69Å; P261-S265 WeakPolarHBondContact O-CB 3.32Å; P261-S265 PolarHBondContact O-N 2.83Å; P261-S265 VanDerWaalsContact O-N 3.17Å; P261-S265 PolarHBondContact O-OG 3.17Å |
| 262 | V | 76.3 | Confident | 83.1 | Confident | 43 Ų | 43 | 20.5 Ų | 20.5 | 26% | 0.261 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -64.2 | -51.7 | 176.7 | 179 | 0 | 0 | 0 | 0 | 108.9 | F21 I259 L260 M264 S265 V266 | F21-V262 HydrophobicContact CE1-CG2 4.24Å; I259-V262 HydrophobicContact CG1-CB 4.13Å; I259-V262 WeakPolarHBondContact O-CB 3.32Å; I259-V262 PolarHBondContact O-N 2.59Å; I259-V262 VanDerWaalsContact O-N 3.1Å; L260-V262 VanDerWaalsContact C-N 3.35Å; L260-V262 PolarHBondContact O-N 2.96Å; V262-M264 VanDerWaalsContact C-N 3.28Å; V262-M264 PolarHBondContact O-N 3.13Å; V262-S265 WeakPolarHBondContact O-CA 3.41Å; V262-S265 WeakPolarHBondContact O-CB 3.31Å; V262-S265 PolarHBondContact O-N 2.96Å; V262-V266 WeakPolarHBondContact O-CG2 3.48Å; V262-V266 PolarHBondContact O-N 3.28Å; V262-V266 VanDerWaalsContact O-N 3.12Å |
| 263 | A | 81.8 | Confident | 83.5 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.4 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I259 L260 S265 M724 M728 | I259-A263 WeakPolarHBondContact O-CB 3.33Å; I259-A263 PolarHBondContact O-N 2.92Å; L260-A263 PolarHBondContact O-N 2.92Å; A263-S265 VanDerWaalsContact C-N 3.3Å; A263-S265 PolarHBondContact O-N 3.05Å; A263-M724 HydrophobicContact CB-CE 3.63Å; A263-M728 HydrophobicContact CB-CE 3.74Å; A263-M728 HydrophobicContact CB-CG 3.78Å; A263-M728 HydrophobicContact CB-SD 4.21Å |
| 264 | M | 81.5 | Confident | 83.7 | Confident | 12 Ų | 12 | 26.2 Ų | 26.2 | 6% | 0.059 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.6 | -25.7 | 177.9 | -68 | 172.5 | 70.7 | 0 | 0 | 113.1 | F208 V212 L260 P261 V262 S721 F725 L787 | F208-M264 HydrophobicContact CE1-CE 3.49Å; F208-M264 VanDerWaalsContact CE1-CE 3.49Å; F208-M264 HydrophobicContact CE2-CE 3.91Å; F208-M264 HydrophobicContact CZ-CE 3.04Å; V212-M264 HydrophobicContact CG2-CE 3.65Å; V212-M264 HydrophobicContact CG2-SD 4.3Å; L260-M264 HydrophobicContact CD1-SD 4.17Å; L260-M264 HydrophobicContact CG-SD 3.95Å; L260-M264 WeakPolarHBondContact O-CG 3.5Å; L260-M264 PolarHBondContact O-N 3.09Å; P261-M264 PolarHBondContact O-N 2.69Å; V262-M264 VanDerWaalsContact C-N 3.28Å; V262-M264 PolarHBondContact O-N 3.13Å; M264-S721 PolarHBondContact O-OG 2.89Å; M264-F725 HydrophobicContact CE-CB 4.46Å; M264-F725 HydrophobicContact CE-CD2 4.46Å; M264-F725 HydrophobicContact CG-CB 4.36Å; M264-F725 HydrophobicContact SD-CB 4.35Å; M264-F725 HydrophobicContact SD-CD2 4.11Å; M264-L787 HydrophobicContact CE-CD2 4.32Å |
| 265 | S | 82.7 | Confident | 83.9 | Confident | 56 Ų | 56 | 25.8 Ų | 25.8 | 39% | 0.392 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -83.4 | -24.1 | 179.4 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | P261 V262 A263 G267 I268 V269 | P261-S265 WeakPolarHBondContact O-CB 3.32Å; P261-S265 PolarHBondContact O-N 2.83Å; P261-S265 VanDerWaalsContact O-N 3.17Å; P261-S265 PolarHBondContact O-OG 3.17Å; V262-S265 WeakPolarHBondContact O-CA 3.41Å; V262-S265 WeakPolarHBondContact O-CB 3.31Å; V262-S265 PolarHBondContact O-N 2.96Å; A263-S265 VanDerWaalsContact C-N 3.3Å; A263-S265 PolarHBondContact O-N 3.05Å; S265-G267 VanDerWaalsContact C-N 3.26Å; S265-G267 PolarHBondContact O-N 3.17Å; S265-I268 WeakPolarHBondContact O-CB 3.39Å; S265-I268 PolarHBondContact O-N 3.44Å; S265-V269 PolarHBondContact O-N 3.45Å; S265-V269 VanDerWaalsContact O-N 3.1Å |
| 266 | V | 84.6 | Confident | 84.1 | Confident | 19 Ų | 19 | 33 Ų | 33 | 12% | 0.115 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -52.5 | -42.7 | 179.4 | 172.2 | 0 | 0 | 0 | 0 | 112.1 | V262 I268 V269 F270 L767 | V262-V266 WeakPolarHBondContact O-CG2 3.48Å; V262-V266 PolarHBondContact O-N 3.28Å; V262-V266 VanDerWaalsContact O-N 3.12Å; V266-I268 VanDerWaalsContact C-N 3.31Å; V266-I268 PolarHBondContact O-N 2.88Å; V266-V269 PolarHBondContact O-N 3.37Å; V266-F270 HydrophobicContact CG1-CD2 3.56Å; V266-F270 HydrophobicContact CG1-CE2 3.25Å; V266-F270 HydrophobicContact CG1-CZ 4.3Å; V266-F270 VanDerWaalsContact O-CD2 3.26Å; V266-F270 WeakPolarHBondContact O-CD2 3.47Å; V266-F270 PolarHBondContact O-N 3.37Å; V266-F270 VanDerWaalsContact O-N 3.11Å; V266-L767 HydrophobicContact CG2-CD2 4.19Å |
| 267 | G | 84.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -35.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S265 A271 | S265-G267 VanDerWaalsContact C-N 3.26Å; S265-G267 PolarHBondContact O-N 3.17Å; G267-A271 WeakPolarHBondContact O-CB 3.36Å; G267-A271 PolarHBondContact O-N 2.9Å; G267-A271 VanDerWaalsContact O-N 3.13Å |
| 268 | I | 88.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.2 | -48.1 | 177.4 | -61 | 173.9 | 0 | 0 | 0 | 110 | S265 V266 F270 A271 Q272 P285 M288 | S265-I268 WeakPolarHBondContact O-CB 3.39Å; S265-I268 PolarHBondContact O-N 3.44Å; V266-I268 VanDerWaalsContact C-N 3.31Å; V266-I268 PolarHBondContact O-N 2.88Å; I268-F270 VanDerWaalsContact C-N 3.33Å; I268-F270 PolarHBondContact O-N 3.35Å; I268-A271 PolarHBondContact O-N 2.87Å; I268-Q272 HydrophobicContact CG2-CG 4.41Å; I268-Q272 WeakPolarHBondContact O-CG 3.45Å; I268-Q272 PolarHBondContact O-N 2.86Å; I268-P285 HydrophobicContact CG2-CB 3.81Å; I268-P285 WeakPolarHBondContact CG2-O 3.46Å; I268-M288 HydrophobicContact CG1-CB 4.46Å; I268-M288 HydrophobicContact CG2-CB 3.8Å; I268-M288 HydrophobicContact CG2-CG 4.16Å |
| 269 | V | 87.6 | Confident | 85.5 | Confident | 34 Ų | 34 | 43.2 Ų | 43.2 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | -178.3 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | S265 V266 Q272 R273 | S265-V269 PolarHBondContact O-N 3.45Å; S265-V269 VanDerWaalsContact O-N 3.1Å; V266-V269 PolarHBondContact O-N 3.37Å; V269-Q272 PolarHBondContact O-N 2.99Å; V269-R273 WeakPolarHBondContact O-CG 3.24Å; V269-R273 PolarHBondContact O-N 2.97Å |
| 270 | F | 89.9 | Confident | 86.1 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | 176.4 | -71.1 | -51 | 0 | 0 | 0 | 112.8 | V266 I268 Q272 R273 R274 G770 Y771 | V266-F270 HydrophobicContact CG1-CD2 3.56Å; V266-F270 HydrophobicContact CG1-CE2 3.25Å; V266-F270 HydrophobicContact CG1-CZ 4.3Å; V266-F270 VanDerWaalsContact O-CD2 3.26Å; V266-F270 WeakPolarHBondContact O-CD2 3.47Å; V266-F270 PolarHBondContact O-N 3.37Å; V266-F270 VanDerWaalsContact O-N 3.11Å; I268-F270 VanDerWaalsContact C-N 3.33Å; I268-F270 PolarHBondContact O-N 3.35Å; F270-Q272 PolarHBondContact O-N 3.28Å; F270-R273 PolarHBondContact O-N 2.77Å; F270-R274 WeakPolarHBondContact O-CG 3.36Å; F270-R274 PolarHBondContact O-N 3.43Å; F270-G770 WeakPolarHBondContact CD2-O 3.36Å; F270-Y771 AromaticContact CD1-CD2 3.95Å; F270-Y771 HydrophobicContact CD1-CD2 3.95Å; F270-Y771 HydrophobicContact CD1-CE2 4.47Å; F270-Y771 AromaticContact CE1-CD2 3.97Å; F270-Y771 HydrophobicContact CE1-CD2 3.97Å; F270-Y771 HydrophobicContact CG-CD2 4.33Å; F270-Y771 HydrophobicContact CZ-CD2 4.33Å |
| 271 | A | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | G267 I268 R273 R274 L275 M288 A717 | G267-A271 WeakPolarHBondContact O-CB 3.36Å; G267-A271 PolarHBondContact O-N 2.9Å; G267-A271 VanDerWaalsContact O-N 3.13Å; I268-A271 PolarHBondContact O-N 2.87Å; A271-R273 PolarHBondContact O-N 3.43Å; A271-R274 PolarHBondContact O-N 2.82Å; A271-L275 WeakPolarHBondContact O-CG 3.48Å; A271-L275 PolarHBondContact O-N 3.28Å; A271-M288 HydrophobicContact CB-CG 4.23Å; A271-M288 HydrophobicContact CB-SD 4.25Å; A271-A717 HydrophobicContact CB-CB 3.95Å |
| 272 | Q | 90.7 | Very high | 87 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.1 | -72 | -177.4 | -43.7 | 0 | 0 | 112.4 | I268 V269 F270 R274 L275 R276 C282 P285 M288 | I268-Q272 HydrophobicContact CG2-CG 4.41Å; I268-Q272 WeakPolarHBondContact O-CG 3.45Å; I268-Q272 PolarHBondContact O-N 2.86Å; V269-Q272 PolarHBondContact O-N 2.99Å; F270-Q272 PolarHBondContact O-N 3.28Å; Q272-R274 VanDerWaalsContact C-N 3.29Å; Q272-R274 PolarHBondContact O-N 3.31Å; Q272-L275 PolarHBondContact O-N 2.98Å; Q272-R276 WeakPolarHBondContact O-CB 3.16Å; Q272-R276 PolarHBondContact O-N 3.21Å; Q272-C282 HydrophobicContact CG-CB 4.09Å; Q272-C282 PolarHBondContact NE2-SG 3.44Å; Q272-P285 VanDerWaalsContact NE2-CA 3.27Å; Q272-P285 VanDerWaalsContact NE2-CB 3.3Å; Q272-P285 VanDerWaalsContact NE2-CG 3.33Å; Q272-M288 HydrophobicContact CG-CE 3.63Å |
| 273 | R | 90.2 | Very high | 87 | Confident | 144 Ų | 144 | 46.4 Ų | 46.4 | 54% | 0.543 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.3 | -39 | 175.6 | -73.8 | 179.3 | -178.4 | 179.9 | 2.1 | 111.8 | V269 F270 A271 K277 | V269-R273 WeakPolarHBondContact O-CG 3.24Å; V269-R273 PolarHBondContact O-N 2.97Å; F270-R273 PolarHBondContact O-N 2.77Å; A271-R273 PolarHBondContact O-N 3.43Å; R273-K277 PolarHBondContact O-N 2.88Å |
| 274 | R | 92.1 | Very high | 86.7 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.1 | -40.7 | 176.9 | -70.7 | -169.6 | -61.6 | -99.2 | -1.5 | 112.7 | F270 A271 Q272 K277 H278 E713 T772 H773 | F270-R274 WeakPolarHBondContact O-CG 3.36Å; F270-R274 PolarHBondContact O-N 3.43Å; A271-R274 PolarHBondContact O-N 2.82Å; Q272-R274 VanDerWaalsContact C-N 3.29Å; Q272-R274 PolarHBondContact O-N 3.31Å; R274-K277 PolarHBondContact O-N 3.25Å; R274-H278 PolarHBondContact O-ND1 2.93Å; R274-E713 IonicContact CZ-OE2 3.04Å; R274-E713 VanDerWaalsContact CZ-OE2 3.26Å; R274-E713 IonicContact NE-OE1 3.11Å; R274-E713 PolarHBondContact NE-OE1 3.01Å; R274-E713 IonicContact NE-OE2 2.77Å; R274-E713 PolarHBondContact NE-OE2 3.06Å; R274-E713 IonicContact NH2-OE2 3.9Å; R274-E713 PolarHBondContact NH2-OE2 3.03Å; R274-T772 PolarHBondContact NH1-O 3.5Å; R274-H773 VanDerWaalsContact CD-CE1 3.49Å; R274-H773 WeakPolarHBondContact CD-CE1 3.19Å; R274-H773 WeakPolarHBondContact CD-ND1 3.42Å |
| 275 | L | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 176.4 | -74.7 | 167.6 | 0 | 0 | 0 | 111.8 | A271 Q272 K277 H278 G279 I280 M288 R709 L710 E713 | A271-L275 WeakPolarHBondContact O-CG 3.48Å; A271-L275 PolarHBondContact O-N 3.28Å; Q272-L275 PolarHBondContact O-N 2.98Å; L275-K277 VanDerWaalsContact C-N 3.26Å; L275-K277 PolarHBondContact O-N 3.36Å; L275-H278 CarbonylContact O-C 3.58Å; L275-H278 WeakPolarHBondContact O-CA 3.39Å; L275-H278 WeakPolarHBondContact O-CB 3.3Å; L275-H278 PolarHBondContact O-N 2.93Å; L275-G279 PolarHBondContact O-N 3.12Å; L275-I280 CarbonylContact C-O 3.57Å; L275-I280 HydrophobicContact CB-CB 4.17Å; L275-I280 HydrophobicContact CB-CG2 4.45Å; L275-I280 HydrophobicContact CD2-CB 4.42Å; L275-I280 HydrophobicContact CD2-CD1 3.94Å; L275-I280 HydrophobicContact CD2-CG2 4.5Å; L275-I280 PolarHBondContact O-N 3.35Å; L275-I280 VanDerWaalsContact O-N 3.1Å; L275-M288 HydrophobicContact CD1-CE 3.36Å; L275-M288 HydrophobicContact CD1-SD 3.79Å; L275-R709 HydrophobicContact CD2-CG 4.21Å; L275-L710 HydrophobicContact CD1-CD1 3.7Å; L275-L710 HydrophobicContact CD2-CD1 4.37Å; L275-E713 HydrophobicContact CD1-CB 4.26Å; L275-E713 HydrophobicContact CD2-CB 4.12Å; L275-E713 HydrophobicContact CD2-CG 3.97Å; L275-E713 HydrophobicContact CG-CB 4.19Å; L275-E713 HydrophobicContact CG-CG 4.17Å |
| 276 | R | 90 | Very high | 86.1 | Confident | 152 Ų | 152 | 51.4 Ų | 51.4 | 57% | 0.574 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.4 | -36.1 | 176.7 | -175 | 176.1 | 173.6 | 178.4 | -1 | 112.8 | Q272 H278 G279 I280 Y281 | Q272-R276 WeakPolarHBondContact O-CB 3.16Å; Q272-R276 PolarHBondContact O-N 3.21Å; R276-H278 PolarHBondContact O-N 3.46Å; R276-G279 PolarHBondContact O-N 3.22Å; R276-G279 VanDerWaalsContact O-N 3.09Å; R276-I280 VanDerWaalsContact CA-O 3.28Å; R276-I280 WeakPolarHBondContact CA-O 3.45Å; R276-I280 PolarHBondContact N-O 3.46Å; R276-I280 VanDerWaalsContact N-O 3.14Å; R276-Y281 HydrophobicContact CG-CD1 4.21Å; R276-Y281 HydrophobicContact CG-CE1 3.87Å |
| 277 | K | 90 | Very high | 86.1 | Confident | 172 Ų | 172 | 50.6 Ų | 50.6 | 75% | 0.748 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.3 | -22.8 | 174.1 | -70.1 | -176.5 | 178.4 | -173.3 | 0 | 113 | R273 R274 L275 | R273-K277 PolarHBondContact O-N 2.88Å; R274-K277 PolarHBondContact O-N 3.25Å; L275-K277 VanDerWaalsContact C-N 3.26Å; L275-K277 PolarHBondContact O-N 3.36Å |
| 278 | H | 86.9 | Confident | 86.3 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 33% | 0.329 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 15.9 | 177 | -61.2 | 94.6 | 0 | 0 | 0 | 112.9 | R274 L275 R276 I280 R709 | R274-H278 PolarHBondContact O-ND1 2.93Å; L275-H278 CarbonylContact O-C 3.58Å; L275-H278 WeakPolarHBondContact O-CA 3.39Å; L275-H278 WeakPolarHBondContact O-CB 3.3Å; L275-H278 PolarHBondContact O-N 2.93Å; R276-H278 PolarHBondContact O-N 3.46Å; H278-I280 VanDerWaalsContact C-N 3.29Å; H278-I280 PolarHBondContact O-N 2.79Å; H278-R709 PolarHBondContact CD2-NH1 3.45Å; H278-R709 VanDerWaalsContact NE2-CZ 3.35Å; H278-R709 PolarHBondContact NE2-NH2 3.48Å |
| 279 | G | 84.8 | Confident | 86.3 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 15.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L275 R276 K700 | L275-G279 PolarHBondContact O-N 3.12Å; R276-G279 PolarHBondContact O-N 3.22Å; R276-G279 VanDerWaalsContact O-N 3.09Å; G279-K700 PolarHBondContact O-N 3.27Å |
| 280 | I | 89 | Confident | 86.3 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.7 | 175.8 | -55.5 | 166.9 | 0 | 0 | 0 | 108.8 | L275 R276 H278 T698 C706 | L275-I280 CarbonylContact C-O 3.57Å; L275-I280 HydrophobicContact CB-CB 4.17Å; L275-I280 HydrophobicContact CB-CG2 4.45Å; L275-I280 HydrophobicContact CD2-CB 4.42Å; L275-I280 HydrophobicContact CD2-CD1 3.94Å; L275-I280 HydrophobicContact CD2-CG2 4.5Å; L275-I280 PolarHBondContact O-N 3.35Å; L275-I280 VanDerWaalsContact O-N 3.1Å; R276-I280 VanDerWaalsContact CA-O 3.28Å; R276-I280 WeakPolarHBondContact CA-O 3.45Å; R276-I280 PolarHBondContact N-O 3.46Å; R276-I280 VanDerWaalsContact N-O 3.14Å; H278-I280 VanDerWaalsContact C-N 3.29Å; H278-I280 PolarHBondContact O-N 2.79Å; I280-T698 CarbonylContact C-O 3.43Å; I280-T698 WeakPolarHBondContact CA-O 3.35Å; I280-C706 HydrophobicContact CD1-CB 3.62Å; I280-C706 HydrophobicContact CG1-CB 3.97Å |
| 281 | Y | 86.9 | Confident | 86.3 | Confident | 83 Ų | 83 | 47.2 Ų | 47.2 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.1 | -179.2 | -63.6 | -98.8 | 0 | 0 | 0 | 109.5 | R276 F697 T698 K700 | R276-Y281 HydrophobicContact CG-CD1 4.21Å; R276-Y281 HydrophobicContact CG-CE1 3.87Å; Y281-F697 CarbonylContact O-C 3.58Å; Y281-F697 VanDerWaalsContact O-CA 3.26Å; Y281-F697 WeakPolarHBondContact O-CA 3.4Å; Y281-T698 PolarHBondContact N-O 3.4Å; Y281-T698 PolarHBondContact O-N 3.01Å; Y281-K700 HydrophobicContact CD2-CG 4.27Å; Y281-K700 HydrophobicContact CE2-CD 3.61Å; Y281-K700 HydrophobicContact CE2-CG 3.71Å; Y281-K700 VanDerWaalsContact OH-CE 3.24Å; Y281-K700 WeakPolarHBondContact OH-CE 3.34Å; Y281-K700 PolarHBondContact OH-NZ 3.2Å |
| 282 | C | 84.7 | Confident | 86.1 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.3 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | Q272 N284 M288 P696 F697 | Q272-C282 HydrophobicContact CG-CB 4.09Å; Q272-C282 PolarHBondContact NE2-SG 3.44Å; C282-N284 VanDerWaalsContact SG-C 3.51Å; C282-N284 PolarHBondContact SG-O 3.23Å; C282-M288 HydrophobicContact CB-CE 4.38Å; C282-P696 WeakPolarHBondContact CA-O 3.23Å; C282-F697 HydrophobicContact CB-CD1 3.77Å; C282-F697 HydrophobicContact CB-CE1 3.76Å; C282-F697 WeakPolarHBondContact SG-CE1 3.43Å |
| 283 | I | 77.5 | Confident | 86 | Confident | 81 Ų | 81 | 46.5 Ų | 46.5 | 42% | 0.415 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -86.2 | -36.3 | 177.9 | -57.9 | 175.2 | 0 | 0 | 0 | 109.7 | P285 P696 | I283-P285 WeakPolarHBondContact O-CD 3.47Å; I283-P696 PolarHBondContact N-O 3.29Å |
| 284 | N | 74.8 | Confident | 85.9 | Confident | 61 Ų | 61 | 39.7 Ų | 39.7 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | trans | -115.9 | 100 | -178.8 | -171.3 | -14.8 | 0 | 0 | 0 | 112.6 | C282 S286 V287 P696 | C282-N284 VanDerWaalsContact SG-C 3.51Å; C282-N284 PolarHBondContact SG-O 3.23Å; N284-S286 PolarHBondContact O-N 3.49Å; N284-S286 WeakPolarHBondContact OD1-CB 3.43Å; N284-S286 PolarHBondContact OD1-N 3.13Å; N284-S286 VanDerWaalsContact OD1-N 3.11Å; N284-S286 PolarHBondContact OD1-OG 3.36Å; N284-V287 HydrophobicContact CB-CG2 4.12Å; N284-V287 PolarHBondContact O-N 3.49Å; N284-P696 HydrophobicContact CB-CB 4.06Å | ||
| 285 | P | 78.3 | Confident | 85.7 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 25% | 0.253 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -59.1 | -30.3 | 179.9 | -17.5 | 24.4 | 0 | 0 | 0 | 114.4 | I268 Q272 I283 V287 M288 | I268-P285 HydrophobicContact CG2-CB 3.81Å; I268-P285 WeakPolarHBondContact CG2-O 3.46Å; Q272-P285 VanDerWaalsContact NE2-CA 3.27Å; Q272-P285 VanDerWaalsContact NE2-CB 3.3Å; Q272-P285 VanDerWaalsContact NE2-CG 3.33Å; I283-P285 WeakPolarHBondContact O-CD 3.47Å; P285-V287 PolarHBondContact O-N 2.87Å; P285-V287 VanDerWaalsContact O-N 3.17Å; P285-M288 VanDerWaalsContact O-CB 3.23Å; P285-M288 WeakPolarHBondContact O-CB 3.37Å; P285-M288 PolarHBondContact O-N 3Å |
| 286 | S | 74 | Confident | 85.6 | Confident | 77 Ų | 77 | 39.7 Ų | 39.7 | 54% | 0.538 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -63 | -26.4 | -175.2 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | N284 M288 | N284-S286 PolarHBondContact O-N 3.49Å; N284-S286 WeakPolarHBondContact OD1-CB 3.43Å; N284-S286 PolarHBondContact OD1-N 3.13Å; N284-S286 VanDerWaalsContact OD1-N 3.11Å; N284-S286 PolarHBondContact OD1-OG 3.36Å; S286-M288 VanDerWaalsContact C-N 3.31Å |
| 287 | V | 85 | Confident | 85.6 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -75.7 | -20.3 | -179.8 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | M204 N284 P285 N289 V290 C291 H681 A682 P696 F697 | M204-V287 HydrophobicContact CE-CG2 4.09Å; N284-V287 HydrophobicContact CB-CG2 4.12Å; N284-V287 PolarHBondContact O-N 3.49Å; P285-V287 PolarHBondContact O-N 2.87Å; P285-V287 VanDerWaalsContact O-N 3.17Å; V287-N289 VanDerWaalsContact C-N 3.32Å; V287-N289 PolarHBondContact O-N 3.3Å; V287-V290 HydrophobicContact CG1-CB 4.5Å; V287-V290 WeakPolarHBondContact O-CA 3.29Å; V287-V290 VanDerWaalsContact O-CB 3.25Å; V287-V290 WeakPolarHBondContact O-CB 3.25Å; V287-V290 PolarHBondContact O-N 3.22Å; V287-C291 PolarHBondContact O-N 3.19Å; V287-H681 WeakPolarHBondContact CG1-O 3.29Å; V287-A682 HydrophobicContact CG1-CB 4.03Å; V287-P696 HydrophobicContact CB-CB 4.42Å; V287-P696 HydrophobicContact CG1-CG 4.37Å; V287-P696 HydrophobicContact CG2-CB 4.11Å; V287-P696 HydrophobicContact CG2-CG 4.47Å; V287-F697 HydrophobicContact CB-CE2 4.16Å; V287-F697 HydrophobicContact CB-CZ 4.17Å; V287-F697 HydrophobicContact CG1-CE2 3.65Å; V287-F697 HydrophobicContact CG1-CZ 4.06Å |
| 288 | M | 89 | Confident | 85.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.9 | -43.3 | -174.7 | -171.4 | 59.1 | 68.1 | 0 | 0 | 113.5 | I268 A271 Q272 L275 C282 P285 S286 V290 C291 F697 L710 G714 A717 | I268-M288 HydrophobicContact CG1-CB 4.46Å; I268-M288 HydrophobicContact CG2-CB 3.8Å; I268-M288 HydrophobicContact CG2-CG 4.16Å; A271-M288 HydrophobicContact CB-CG 4.23Å; A271-M288 HydrophobicContact CB-SD 4.25Å; Q272-M288 HydrophobicContact CG-CE 3.63Å; L275-M288 HydrophobicContact CD1-CE 3.36Å; L275-M288 HydrophobicContact CD1-SD 3.79Å; C282-M288 HydrophobicContact CB-CE 4.38Å; P285-M288 VanDerWaalsContact O-CB 3.23Å; P285-M288 WeakPolarHBondContact O-CB 3.37Å; P285-M288 PolarHBondContact O-N 3Å; S286-M288 VanDerWaalsContact C-N 3.31Å; M288-V290 VanDerWaalsContact C-N 3.27Å; M288-V290 PolarHBondContact O-N 3.02Å; M288-C291 WeakPolarHBondContact O-CB 3.41Å; M288-C291 PolarHBondContact O-N 3.46Å; M288-F697 HydrophobicContact CE-CE1 3.77Å; M288-F697 HydrophobicContact CE-CZ 4.41Å; M288-L710 HydrophobicContact SD-CD1 4.44Å; M288-G714 WeakPolarHBondContact O-CA 3.32Å; M288-A717 HydrophobicContact CG-CB 3.99Å |
| 289 | N | 88.1 | Confident | 85.7 | Confident | 17 Ų | 17 | 21.5 Ų | 21.5 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.3 | -25.6 | 179.5 | -79 | -7.8 | 0 | 0 | 0 | 112.6 | V287 C291 G292 L718 | V287-N289 VanDerWaalsContact C-N 3.32Å; V287-N289 PolarHBondContact O-N 3.3Å; N289-C291 VanDerWaalsContact C-N 3.33Å; N289-G292 PolarHBondContact O-N 3.47Å; N289-L718 HydrophobicContact CB-CD1 4.19Å |
| 290 | V | 87.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.6 | -34.7 | 176 | -166.6 | 0 | 0 | 0 | 0 | 110.7 | F206 V287 M288 G292 V293 I294 F663 H681 | F206-V290 HydrophobicContact CD1-CG2 4.06Å; F206-V290 HydrophobicContact CE1-CB 4.46Å; F206-V290 HydrophobicContact CE1-CG2 3.15Å; F206-V290 HydrophobicContact CZ-CG2 3.55Å; V287-V290 HydrophobicContact CG1-CB 4.5Å; V287-V290 WeakPolarHBondContact O-CA 3.29Å; V287-V290 VanDerWaalsContact O-CB 3.25Å; V287-V290 WeakPolarHBondContact O-CB 3.25Å; V287-V290 PolarHBondContact O-N 3.22Å; M288-V290 VanDerWaalsContact C-N 3.27Å; M288-V290 PolarHBondContact O-N 3.02Å; V290-G292 PolarHBondContact O-N 3.36Å; V290-G292 VanDerWaalsContact O-N 3.08Å; V290-V293 VanDerWaalsContact O-CG2 3.28Å; V290-V293 WeakPolarHBondContact O-CG2 3.48Å; V290-V293 PolarHBondContact O-N 3.07Å; V290-I294 PolarHBondContact O-N 3.29Å; V290-F663 HydrophobicContact CG1-CD1 4.13Å; V290-H681 HydrophobicContact CG1-CB 3.91Å |
| 291 | C | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.2 | -25.9 | 175.2 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | V287 M288 N289 V293 I294 F697 L710 | V287-C291 PolarHBondContact O-N 3.19Å; M288-C291 WeakPolarHBondContact O-CB 3.41Å; M288-C291 PolarHBondContact O-N 3.46Å; N289-C291 VanDerWaalsContact C-N 3.33Å; C291-V293 PolarHBondContact O-N 3.15Å; C291-I294 HydrophobicContact CB-CD1 4.03Å; C291-F697 WeakPolarHBondContact SG-CE2 3.33Å; C291-F697 VanDerWaalsContact SG-CZ 3.56Å; C291-L710 HydrophobicContact CB-CG 4.35Å |
| 292 | G | 87 | Confident | 82.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N289 V290 G714 R715 P783 | N289-G292 PolarHBondContact O-N 3.47Å; V290-G292 PolarHBondContact O-N 3.36Å; V290-G292 VanDerWaalsContact O-N 3.08Å; G292-G714 VanDerWaalsContact CA-C 3.43Å; G292-R715 WeakPolarHBondContact O-CG 3.14Å; G292-R715 PolarHBondContact O-NE 3.3Å; G292-P783 VanDerWaalsContact O-CD 3.3Å; G292-P783 WeakPolarHBondContact O-CD 3.42Å |
| 293 | V | 87.9 | Confident | 81 | Confident | 12 Ų | 12 | 25 Ų | 25 | 7% | 0.073 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 14 | -173.7 | -62.5 | 0 | 0 | 0 | 0 | 114.4 | V290 C291 S295 F663 L718 P783 M785 | V290-V293 VanDerWaalsContact O-CG2 3.28Å; V290-V293 WeakPolarHBondContact O-CG2 3.48Å; V290-V293 PolarHBondContact O-N 3.07Å; C291-V293 PolarHBondContact O-N 3.15Å; V293-S295 PolarHBondContact O-N 2.91Å; V293-F663 HydrophobicContact CG2-CD1 4.2Å; V293-F663 HydrophobicContact CG2-CD2 4.16Å; V293-F663 HydrophobicContact CG2-CG 4.01Å; V293-F663 WeakPolarHBondContact O-CB 3.47Å; V293-L718 HydrophobicContact CG1-CD2 3.69Å; V293-P783 HydrophobicContact CG1-CG 4.32Å; V293-P783 VanDerWaalsContact CG1-O 3.26Å; V293-P783 WeakPolarHBondContact CG1-O 3.28Å; V293-M785 HydrophobicContact CB-CG 3.89Å; V293-M785 HydrophobicContact CB-SD 4.39Å; V293-M785 HydrophobicContact CG1-CB 4.48Å; V293-M785 HydrophobicContact CG1-CG 3.27Å; V293-M785 HydrophobicContact CG1-SD 4.25Å; V293-M785 HydrophobicContact CG2-CE 3.69Å; V293-M785 HydrophobicContact CG2-CG 3.54Å; V293-M785 HydrophobicContact CG2-SD 3.4Å; V293-M785 WeakPolarHBondContact CG2-SD 3.22Å |
| 294 | I | 89.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | trans | -50.7 | 128.4 | 171.8 | -69.9 | 163.5 | 0 | 0 | 0 | 108.8 | V290 C291 L296 I420 A682 I711 | V290-I294 PolarHBondContact O-N 3.29Å; C291-I294 HydrophobicContact CB-CD1 4.03Å; I294-L296 WeakPolarHBondContact CG2-O 3.45Å; I294-I420 HydrophobicContact CG2-CG2 4.16Å; I294-A682 HydrophobicContact CD1-CB 3.98Å; I294-I711 HydrophobicContact CB-CD1 4.44Å; I294-I711 HydrophobicContact CD1-CD1 4.36Å; I294-I711 HydrophobicContact CD1-CG1 3.88Å; I294-I711 HydrophobicContact CG2-CD1 4.23Å | ||
| 295 | S | 87.7 | Confident | 77.4 | Confident | 17 Ų | 17 | 29.6 Ų | 29.6 | 12% | 0.119 | 16% | 0.164 | C | C | . | . | trans | -115.4 | -18 | -179.5 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | V293 R421 F663 | V293-S295 PolarHBondContact O-N 2.91Å; S295-R421 PolarHBondContact O-N 3.28Å; S295-F663 PolarHBondContact N-O 2.87Å; S295-F663 PolarHBondContact OG-N 3.44Å; S295-F663 PolarHBondContact OG-O 2.86Å | ||
| 296 | L | 89.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 133.4 | -179.3 | -174.1 | 149.1 | 0 | 0 | 0 | 109 | I294 C298 R421 V423 F657 Y662 F663 V664 S665 | I294-L296 WeakPolarHBondContact CG2-O 3.45Å; L296-C298 WeakPolarHBondContact CD2-SG 3.28Å; L296-R421 CarbonylContact C-O 3.47Å; L296-R421 VanDerWaalsContact CA-O 3.3Å; L296-R421 WeakPolarHBondContact CA-O 3.41Å; L296-R421 HydrophobicContact CD1-CB 4.45Å; L296-R421 HydrophobicContact CD1-CG 4.46Å; L296-R421 HydrophobicContact CG-CB 4.37Å; L296-V423 HydrophobicContact CD1-CG2 3.9Å; L296-V423 HydrophobicContact CD2-CB 4.4Å; L296-V423 HydrophobicContact CD2-CG2 4.1Å; L296-V423 HydrophobicContact CG-CG2 4.03Å; L296-F657 HydrophobicContact CD1-CD1 3.44Å; L296-F657 VanDerWaalsContact CD1-CD1 3.44Å; L296-F657 HydrophobicContact CD1-CE1 3.51Å; L296-F657 HydrophobicContact CD1-CG 4.17Å; L296-F657 HydrophobicContact CD1-CZ 4.25Å; L296-F657 HydrophobicContact CD2-CD1 4.32Å; L296-F657 HydrophobicContact CD2-CD2 4.3Å; L296-F657 HydrophobicContact CD2-CE1 4.48Å; L296-F657 HydrophobicContact CD2-CE2 4.44Å; L296-F657 HydrophobicContact CD2-CG 4.27Å; L296-Y662 HydrophobicContact CB-CD1 3.99Å; L296-Y662 HydrophobicContact CB-CG 4.25Å; L296-Y662 HydrophobicContact CD1-CD1 4.13Å; L296-Y662 HydrophobicContact CD1-CD2 4.21Å; L296-Y662 HydrophobicContact CD1-CE1 4.35Å; L296-Y662 HydrophobicContact CD1-CE2 4.41Å; L296-Y662 HydrophobicContact CD1-CG 4.06Å; L296-F663 PolarHBondContact N-O 3.33Å; L296-V664 HydrophobicContact CD2-CG1 3.9Å; L296-V664 HydrophobicContact CD2-CG2 4.36Å; L296-V664 WeakPolarHBondContact O-CA 3.48Å; L296-S665 PolarHBondContact O-N 3.01Å |
| 297 | T | 90.2 | Very high | 74.1 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 119.5 | 174.6 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | F299 R421 P422 V423 S665 V707 | T297-F299 HydrophobicContact CG2-CD1 4.45Å; T297-F299 HydrophobicContact CG2-CD2 4.21Å; T297-F299 HydrophobicContact CG2-CE1 3.9Å; T297-F299 HydrophobicContact CG2-CE2 3.62Å; T297-F299 HydrophobicContact CG2-CZ 3.45Å; T297-F299 VanDerWaalsContact CG2-CZ 3.45Å; T297-R421 PolarHBondContact N-O 3.05Å; T297-P422 CarbonylContact O-C 3.57Å; T297-P422 WeakPolarHBondContact O-CA 3.32Å; T297-V423 PolarHBondContact O-N 2.92Å; T297-S665 CarbonylContact C-O 3.47Å; T297-S665 WeakPolarHBondContact CA-O 3.49Å; T297-V707 HydrophobicContact CG2-CG1 3.98Å |
| 298 | C | 90.9 | Very high | 72.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 138.7 | 169.9 | -62.4 | 0 | 0 | 0 | 0 | 109.6 | L296 V423 V425 S665 M666 C667 | L296-C298 WeakPolarHBondContact CD2-SG 3.28Å; C298-V423 CarbonylContact C-O 3.58Å; C298-V423 VanDerWaalsContact CA-O 3.25Å; C298-V423 WeakPolarHBondContact CA-O 3.18Å; C298-V425 HydrophobicContact CB-CG2 4.25Å; C298-S665 PolarHBondContact N-O 3.42Å; C298-M666 HydrophobicContact CB-SD 3.28Å; C298-M666 WeakPolarHBondContact CB-SD 3.48Å; C298-M666 CarbonylContact O-C 3.54Å; C298-M666 WeakPolarHBondContact O-CA 3.5Å; C298-C667 PolarHBondContact O-N 3.36Å |
| 299 | F | 87.6 | Confident | 70.4 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.7 | 174.2 | -61.3 | -86.7 | 0 | 0 | 0 | 109 | T297 P422 V423 V425 C667 I704 V707 | T297-F299 HydrophobicContact CG2-CD1 4.45Å; T297-F299 HydrophobicContact CG2-CD2 4.21Å; T297-F299 HydrophobicContact CG2-CE1 3.9Å; T297-F299 HydrophobicContact CG2-CE2 3.62Å; T297-F299 HydrophobicContact CG2-CZ 3.45Å; T297-F299 VanDerWaalsContact CG2-CZ 3.45Å; F299-P422 HydrophobicContact CE2-CB 4.09Å; F299-V423 PolarHBondContact N-O 2.89Å; F299-V425 PolarHBondContact O-N 3.44Å; F299-C667 HydrophobicContact CD1-CB 3.95Å; F299-C667 HydrophobicContact CE1-CB 4.34Å; F299-I704 HydrophobicContact CD1-CG2 4.2Å; F299-I704 HydrophobicContact CE1-CB 4.34Å; F299-I704 HydrophobicContact CE1-CG2 4.22Å; F299-V707 HydrophobicContact CE1-CG2 4.05Å; F299-V707 HydrophobicContact CZ-CG1 4.48Å |
| 300 | D | 78.8 | Confident | 68.7 | Low | 19 Ų | 19 | 45.4 Ų | 45.4 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | trans | -74.3 | 151.8 | 152.2 | -158.2 | 3.9 | 0 | 0 | 0 | 108.5 | T426 K650 M666 C667 D673 | D300-T426 WeakPolarHBondContact OD1-CA 3.36Å; D300-T426 VanDerWaalsContact OD1-CB 3.28Å; D300-T426 WeakPolarHBondContact OD1-CB 3.49Å; D300-T426 PolarHBondContact OD1-OG1 3.27Å; D300-K650 VanDerWaalsContact CG-NZ 3.31Å; D300-K650 IonicContact OD1-NZ 2.91Å; D300-K650 IonicContact OD2-NZ 3.88Å; D300-K650 PolarHBondContact OD2-NZ 3.33Å; D300-M666 HydrophobicContact CB-CE 4.22Å; D300-C667 PolarHBondContact N-O 3.24Å; D300-D673 VanDerWaalsContact CB-OD2 3.25Å; D300-D673 WeakPolarHBondContact CB-OD2 3.5Å | ||
| 301 | K | 66.5 | Low | 67.1 | Low | 61 Ų | 61 | 51.1 Ų | 51.1 | 27% | 0.265 | 26% | 0.263 | S | S | . | . | trans | -39.6 | 126 | -170.3 | 169.8 | 175.4 | 162.5 | -159.8 | 0 | 112.2 | E303 D428 | K301-E303 PolarHBondContact O-N 3.24Å; K301-E303 VanDerWaalsContact O-N 3.12Å; K301-D428 WeakPolarHBondContact CD-OD2 3.41Å; K301-D428 VanDerWaalsContact CE-OD2 3.25Å; K301-D428 WeakPolarHBondContact CE-OD2 3.4Å; K301-D428 IonicContact NZ-OD2 2.72Å; K301-D428 PolarHBondContact NZ-OD2 3.08Å | ||
| 302 | P | 53.2 | Low | 65.9 | Low | 27 Ų | 27 | 52 Ų | 52 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | trans | -68.1 | 113.2 | 176.1 | 25.8 | -31.7 | 0 | 0 | 0 | 110.7 | C304 V436 | P302-C304 PolarHBondContact O-N 2.92Å; P302-V436 HydrophobicContact CG-CG1 3.9Å | ||
| 303 | E | 48.4 | Very low | 64.8 | Low | 97 Ų | 97 | 57 Ų | 57 | 45% | 0.453 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 116.7 | 177.9 | -70.4 | -162.6 | 129.2 | 0 | 0 | 112 | K301 R408 | K301-E303 PolarHBondContact O-N 3.24Å; K301-E303 VanDerWaalsContact O-N 3.12Å; E303-R408 PolarHBondContact O-NH1 3.49Å; E303-R408 PolarHBondContact O-NH2 2.86Å |
| 304 | C | 39.6 | Very low | 63.5 | Low | 82 Ų | 82 | 60.6 Ų | 60.6 | 55% | 0.554 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 134.5 | 170.2 | -76.7 | 0 | 0 | 0 | 0 | 112.1 | P302 R408 | P302-C304 PolarHBondContact O-N 2.92Å; C304-R408 VanDerWaalsContact CA-NH1 3.27Å; C304-R408 PolarHBondContact SG-NH1 3.12Å |
| 305 | E | 37.4 | Very low | 62.5 | Low | 156 Ų | 156 | 61 Ų | 61 | 73% | 0.729 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 124.2 | 162.7 | -81.3 | 178 | 177.6 | 0 | 0 | 107.9 | S307 | E305-S307 PolarHBondContact O-N 3.4Å; E305-S307 VanDerWaalsContact O-N 3.1Å |
| 306 | P | 39 | Very low | 61.7 | Low | 39 Ų | 39 | 64.2 Ų | 64.2 | 25% | 0.253 | 34% | 0.338 | S | S | . | . | trans | -80.9 | 24.9 | -175 | 31.5 | -34.4 | 0 | 0 | 0 | 113.9 | K308 K339 | P306-K308 PolarHBondContact O-N 3.37Å; P306-K308 VanDerWaalsContact O-N 3.1Å; P306-K339 HydrophobicContact CG-CB 4.32Å | ||
| 307 | S | 43 | Very low | 60.6 | Low | 80 Ų | 80 | 67.2 Ų | 67.2 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | trans | -88.7 | 78.7 | -171.7 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | E305 | E305-S307 PolarHBondContact O-N 3.4Å; E305-S307 VanDerWaalsContact O-N 3.1Å | ||
| 308 | K | 46.8 | Very low | 59.6 | Low | 157 Ų | 157 | 67.8 Ų | 67.8 | 68% | 0.683 | 36% | 0.361 | S | S | * | . | trans | 164.1 | 96.3 | 150.3 | -88.8 | 159.7 | -167 | -177.9 | 0 | 109.5 | P306 D404 | P306-K308 PolarHBondContact O-N 3.37Å; P306-K308 VanDerWaalsContact O-N 3.1Å; K308-D404 WeakPolarHBondContact CD-OD2 3.24Å; K308-D404 IonicContact NZ-OD2 2.79Å; K308-D404 PolarHBondContact NZ-OD2 2.94Å | ||
| 309 | L | 49.6 | Very low | 58.9 | Low | 46 Ų | 46 | 67.8 Ų | 67.8 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | trans | -109.1 | 141.1 | 163.8 | -87.8 | 117.2 | 0 | 0 | 0 | 109 | V315 M318 F398 L402 | L309-V315 HydrophobicContact CB-CG2 4.5Å; L309-M318 HydrophobicContact CD1-CE 4.25Å; L309-F398 HydrophobicContact CD1-CZ 4.38Å; L309-F398 HydrophobicContact CD2-CE2 3.59Å; L309-F398 HydrophobicContact CD2-CZ 3.49Å; L309-F398 VanDerWaalsContact CD2-CZ 3.49Å; L309-L402 HydrophobicContact CD1-CD2 4.29Å | ||
| 310 | D | 51.8 | Low | 58.3 | Low | 145 Ų | 145 | 70.5 Ų | 70.5 | 78% | 0.775 | 38% | 0.379 | S | S | * | . | trans | -72.5 | 141 | 171.7 | -73.8 | -26.3 | 0 | 0 | 0 | 110.4 | V315 | D310-V315 WeakPolarHBondContact O-CG2 3.21Š| ||
| 311 | Y | 54.1 | Low | 57.8 | Low | 122 Ų | 122 | 73.1 Ų | 73.1 | 48% | 0.478 | 40% | 0.398 | S | S | . | . | trans | -66.5 | 134.2 | -177.7 | -167 | -86.9 | 0 | 0 | 0 | 111.5 | V315 E316 | Y311-V315 HydrophobicContact CD2-CG1 4.45Å; Y311-E316 PolarHBondContact OH-OE1 2.97Å | ||
| 312 | G | 65.8 | Low | 58 | Low | 19 Ų | 19 | 71.6 Ų | 71.6 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -173.3 | -179.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L314 V315 E316 | G312-L314 PolarHBondContact O-N 3.32Å; G312-V315 WeakPolarHBondContact O-CB 3.42Å; G312-V315 PolarHBondContact O-N 3.05Å; G312-E316 PolarHBondContact O-N 3.17Å |
| 313 | P | 63.6 | Low | 58.8 | Low | 104 Ų | 104 | 74.1 Ų | 74.1 | 68% | 0.675 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.6 | -26.8 | -178.8 | -22.9 | 31.9 | 0 | 0 | 0 | 113.1 | C317 | P313-C317 PolarHBondContact O-N 3.31Å; P313-C317 VanDerWaalsContact O-N 3.07Å; P313-C317 PolarHBondContact O-SG 3.32Å |
| 314 | L | 61.1 | Low | 59.9 | Low | 89 Ų | 89 | 69.8 Ų | 69.8 | 47% | 0.466 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 176.1 | -173.3 | 61.4 | 0 | 0 | 0 | 112.6 | G312 E316 C317 M318 F398 | G312-L314 PolarHBondContact O-N 3.32Å; L314-E316 VanDerWaalsContact C-N 3.35Å; L314-C317 PolarHBondContact O-N 3.03Å; L314-M318 HydrophobicContact CG-SD 4.24Å; L314-M318 WeakPolarHBondContact O-CB 3.43Å; L314-M318 WeakPolarHBondContact O-CG 3.28Å; L314-M318 PolarHBondContact O-N 3.06Å; L314-F398 HydrophobicContact CD2-CD2 3.62Å; L314-F398 HydrophobicContact CD2-CE2 3.46Å; L314-F398 VanDerWaalsContact CD2-CE2 3.46Å; L314-F398 HydrophobicContact CG-CD2 4.48Å; L314-F398 HydrophobicContact CG-CE2 4.17Å |
| 315 | V | 67.5 | Low | 61.3 | Low | 9 Ų | 9 | 69.6 Ų | 69.6 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 177.7 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | L309 D310 Y311 G312 M318 A319 T344 | L309-V315 HydrophobicContact CB-CG2 4.5Å; D310-V315 WeakPolarHBondContact O-CG2 3.21Å; Y311-V315 HydrophobicContact CD2-CG1 4.45Å; G312-V315 WeakPolarHBondContact O-CB 3.42Å; G312-V315 PolarHBondContact O-N 3.05Å; V315-M318 PolarHBondContact O-N 3.5Å; V315-A319 WeakPolarHBondContact O-CB 3.48Å; V315-A319 PolarHBondContact O-N 3.35Å; V315-T344 HydrophobicContact CG1-CG2 3.94Å |
| 316 | E | 70 | Confident | 62.7 | Low | 84 Ų | 84 | 63.6 Ų | 63.6 | 39% | 0.393 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 174.2 | -67.3 | 174 | -177.8 | 0 | 0 | 112 | Y311 G312 L314 A319 T320 W346 | Y311-E316 PolarHBondContact OH-OE1 2.97Å; G312-E316 PolarHBondContact O-N 3.17Å; L314-E316 VanDerWaalsContact C-N 3.35Å; E316-A319 PolarHBondContact O-N 2.96Å; E316-T320 WeakPolarHBondContact O-CG2 2.99Å; E316-T320 PolarHBondContact O-N 3.28Å; E316-T320 VanDerWaalsContact O-N 3.14Å; E316-T320 PolarHBondContact O-OG1 3.21Å; E316-W346 HydrophobicContact CG-CH2 4.29Å; E316-W346 HydrophobicContact CG-CZ2 4.01Å |
| 317 | C | 67 | Low | 63.8 | Low | 63 Ų | 63 | 65.1 Ų | 65.1 | 43% | 0.426 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 171.5 | -73.2 | 0 | 0 | 0 | 0 | 111.8 | P313 L314 A319 T320 C321 | P313-C317 PolarHBondContact O-N 3.31Å; P313-C317 VanDerWaalsContact O-N 3.07Å; P313-C317 PolarHBondContact O-SG 3.32Å; L314-C317 PolarHBondContact O-N 3.03Å; C317-A319 VanDerWaalsContact C-N 3.29Å; C317-A319 PolarHBondContact O-N 3.27Å; C317-T320 PolarHBondContact O-N 3.05Å; C317-T320 PolarHBondContact O-OG1 2.97Å; C317-C321 WeakPolarHBondContact O-CB 2.99Å; C317-C321 PolarHBondContact O-N 3.36Å |
| 318 | M | 70.4 | Confident | 64.6 | Low | 12 Ų | 12 | 69.1 Ų | 69.1 | 6% | 0.059 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.9 | -34.3 | 177 | -73.8 | 167.9 | 72.7 | 0 | 0 | 112.8 | L309 L314 V315 M340 T344 F398 | L309-M318 HydrophobicContact CD1-CE 4.25Å; L314-M318 HydrophobicContact CG-SD 4.24Å; L314-M318 WeakPolarHBondContact O-CB 3.43Å; L314-M318 WeakPolarHBondContact O-CG 3.28Å; L314-M318 PolarHBondContact O-N 3.06Å; V315-M318 PolarHBondContact O-N 3.5Å; M318-M340 HydrophobicContact CB-CG 3.75Å; M318-M340 HydrophobicContact CB-SD 3.97Å; M318-M340 HydrophobicContact CE-CB 4.44Å; M318-M340 HydrophobicContact CE-CG 3.42Å; M318-M340 VanDerWaalsContact CE-CG 3.42Å; M318-M340 HydrophobicContact CE-SD 4.45Å; M318-M340 HydrophobicContact CG-CG 3.83Å; M318-M340 HydrophobicContact CG-SD 3.8Å; M318-M340 HydrophobicContact SD-CG 4.49Å; M318-T344 HydrophobicContact CB-CG2 3.78Å; M318-F398 HydrophobicContact CE-CE1 3.61Å; M318-F398 HydrophobicContact CE-CZ 3.41Å; M318-F398 VanDerWaalsContact CE-CZ 3.41Å; M318-F398 HydrophobicContact SD-CE1 3.87Å; M318-F398 HydrophobicContact SD-CE2 4.03Å; M318-F398 HydrophobicContact SD-CZ 3.32Å; M318-F398 WeakPolarHBondContact SD-CZ 3.26Å |
| 319 | A | 76.2 | Confident | 65.3 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -73.6 | -30.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V315 E316 C317 H322 T344 W346 | V315-A319 WeakPolarHBondContact O-CB 3.48Å; V315-A319 PolarHBondContact O-N 3.35Å; E316-A319 PolarHBondContact O-N 2.96Å; C317-A319 VanDerWaalsContact C-N 3.29Å; C317-A319 PolarHBondContact O-N 3.27Å; A319-H322 PolarHBondContact O-CD2 3.49Å; A319-H322 PolarHBondContact O-NE2 3.33Å; A319-T344 HydrophobicContact CB-CG2 4.06Å; A319-W346 HydrophobicContact CB-CB 4.3Å; A319-W346 HydrophobicContact CB-CD2 3.55Å; A319-W346 HydrophobicContact CB-CE3 3.7Å; A319-W346 HydrophobicContact CB-CG 3.83Å; A319-W346 HydrophobicContact CB-CZ3 4.26Å |
| 320 | T | 74.7 | Confident | 66.1 | Low | 69 Ų | 69 | 67.6 Ų | 67.6 | 42% | 0.423 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -102.2 | -28.4 | -172.8 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | E316 C317 H322 V367 | E316-T320 WeakPolarHBondContact O-CG2 2.99Å; E316-T320 PolarHBondContact O-N 3.28Å; E316-T320 VanDerWaalsContact O-N 3.14Å; E316-T320 PolarHBondContact O-OG1 3.21Å; C317-T320 PolarHBondContact O-N 3.05Å; C317-T320 PolarHBondContact O-OG1 2.97Å; T320-H322 PolarHBondContact O-N 3.22Å; T320-V367 HydrophobicContact CG2-CG2 3.87Å |
| 321 | C | 67.7 | Low | 67 | Low | 75 Ų | 75 | 62.7 Ų | 62.7 | 51% | 0.507 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -98.3 | 67.8 | -175.5 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | C317 | C317-C321 WeakPolarHBondContact O-CB 2.99Å; C317-C321 PolarHBondContact O-N 3.36Å |
| 322 | H | 71.1 | Confident | 67.5 | Low | 28 Ų | 28 | 59 Ų | 59 | 13% | 0.13 | 37% | 0.366 | C | S | . | . | trans | -136 | 161.1 | 176.8 | 64.4 | 51.4 | 0 | 0 | 0 | 112.4 | A319 T320 L324 D337 F341 F348 | A319-H322 PolarHBondContact O-CD2 3.49Å; A319-H322 PolarHBondContact O-NE2 3.33Å; T320-H322 PolarHBondContact O-N 3.22Å; H322-L324 HydrophobicContact CB-CD1 4.46Å; H322-L324 HydrophobicContact CB-CG 4.07Å; H322-L324 PolarHBondContact ND1-N 3.26Å; H322-D337 HydrophobicContact CB-CB 4.13Å; H322-F341 AromaticContact CD2-CD2 3.4Å; H322-F341 VanDerWaalsContact CD2-CD2 3.4Å; H322-F341 WeakPolarHBondContact CD2-CD2 3.34Å; H322-F341 AromaticContact NE2-CD2 3.43Å; H322-F341 WeakPolarHBondContact NE2-CD2 3.32Å; H322-F341 AromaticContact NE2-CE2 3.61Å; H322-F348 AromaticContact CE1-CD2 3.98Å; H322-F348 AromaticContact CE1-CE2 3.53Å | ||
| 323 | S | 70.6 | Confident | 67.5 | Low | 81 Ų | 81 | 59.4 Ų | 59.4 | 57% | 0.566 | 37% | 0.371 | S | S | * | . | trans | -96.7 | 13 | 177 | 64.4 | 0 | 0 | 0 | 0 | 114.3 | D337 | S323-D337 PolarHBondContact N-OD2 3.06Å; S323-D337 PolarHBondContact OG-OD2 3.23Å | ||
| 324 | L | 71.5 | Confident | 67.3 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | trans | -65.5 | 142 | -173.7 | -58.4 | -178.6 | 0 | 0 | 0 | 114.3 | H322 L331 S332 D337 V338 F341 F348 | H322-L324 HydrophobicContact CB-CD1 4.46Å; H322-L324 HydrophobicContact CB-CG 4.07Å; H322-L324 PolarHBondContact ND1-N 3.26Å; L324-L331 HydrophobicContact CB-CD2 4.24Å; L324-L331 HydrophobicContact CD1-CD2 4.24Å; L324-S332 WeakPolarHBondContact CA-O 3.47Å; L324-D337 HydrophobicContact CD1-CB 4.5Å; L324-D337 HydrophobicContact CD2-CB 3.51Å; L324-D337 HydrophobicContact CG-CB 3.88Å; L324-V338 HydrophobicContact CD2-CB 4.25Å; L324-V338 HydrophobicContact CD2-CG2 3.38Å; L324-F341 HydrophobicContact CD1-CB 3.46Å; L324-F341 VanDerWaalsContact CD1-CB 3.46Å; L324-F341 HydrophobicContact CD1-CD1 4.26Å; L324-F341 HydrophobicContact CD1-CG 3.85Å; L324-F348 HydrophobicContact CB-CE2 4.34Å | ||
| 325 | T | 68 | Low | 66.9 | Low | 79 Ų | 79 | 54.9 Ų | 54.9 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.6 | 170.8 | 46.6 | 0 | 0 | 0 | 0 | 110.7 | S332 | T325-S332 PolarHBondContact N-O 3.29Å; T325-S332 WeakPolarHBondContact O-CA 3.39Å; T325-S332 WeakPolarHBondContact O-CB 3.37Å; T325-S332 PolarHBondContact O-N 3.42Å; T325-S332 VanDerWaalsContact O-O 3.07Å |
| 326 | P | 67.9 | Low | 66.5 | Low | 30 Ų | 30 | 58.8 Ų | 58.8 | 20% | 0.195 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 132.3 | 171.4 | 29.6 | -32.1 | 0 | 0 | 0 | 109.4 | V330 F348 E350 | P326-V330 WeakPolarHBondContact CA-O 3.41Å; P326-F348 HydrophobicContact CG-CD1 4Å; P326-F348 HydrophobicContact CG-CE1 3.58Å; P326-F348 HydrophobicContact CG-CZ 4.29Å; P326-E350 HydrophobicContact CG-CB 4.33Å; P326-E350 HydrophobicContact CG-CG 4.06Å |
| 327 | I | 60.9 | Low | 66.3 | Low | 71 Ų | 71 | 56 Ų | 56 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 117.6 | 170.2 | -56.5 | 178.3 | 0 | 0 | 0 | 106.4 | G329 V330 | I327-G329 PolarHBondContact O-N 3.5Å; I327-V330 PolarHBondContact N-O 3.01Å; I327-V330 PolarHBondContact O-N 3.11Å |
| 328 | D | 60.5 | Low | 66.4 | Low | 164 Ų | 164 | 54 Ų | 54 | 88% | 0.877 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38 | -177.1 | -60.9 | -37.1 | 0 | 0 | 0 | 113.7 | V330 | D328-V330 VanDerWaalsContact C-N 3.27Å; D328-V330 PolarHBondContact O-N 3.38Å |
| 329 | G | 60.9 | Low | 66 | Low | 67 Ų | 67 | 57.6 Ų | 57.6 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 3.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I327 | I327-G329 PolarHBondContact O-N 3.5Š|
| 330 | V | 66.6 | Low | 65.6 | Low | 103 Ų | 103 | 59.5 Ų | 59.5 | 62% | 0.624 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.5 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | P326 I327 D328 S332 | P326-V330 WeakPolarHBondContact CA-O 3.41Å; I327-V330 PolarHBondContact N-O 3.01Å; I327-V330 PolarHBondContact O-N 3.11Å; D328-V330 VanDerWaalsContact C-N 3.27Å; D328-V330 PolarHBondContact O-N 3.38Å; V330-S332 PolarHBondContact O-N 2.74Å |
| 331 | L | 71.5 | Confident | 65.7 | Low | 42 Ų | 42 | 56.4 Ų | 56.4 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 123.1 | 174.2 | -74.4 | 164.2 | 0 | 0 | 0 | 110.4 | L324 F341 F348 | L324-L331 HydrophobicContact CB-CD2 4.24Å; L324-L331 HydrophobicContact CD1-CD2 4.24Å; L331-F341 HydrophobicContact CD1-CD1 3.57Å; L331-F341 HydrophobicContact CD1-CE1 3.84Å; L331-F348 HydrophobicContact CD2-CB 3.96Å; L331-F348 HydrophobicContact CD2-CD2 3.62Å; L331-F348 HydrophobicContact CD2-CE2 4.19Å; L331-F348 HydrophobicContact CD2-CG 3.8Å |
| 332 | S | 64.6 | Low | 66.1 | Low | 44 Ų | 44 | 58.5 Ų | 58.5 | 31% | 0.308 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144.9 | 179.1 | -166.2 | 0 | 0 | 0 | 0 | 109.9 | L324 T325 V330 | L324-S332 WeakPolarHBondContact CA-O 3.47Å; T325-S332 PolarHBondContact N-O 3.29Å; T325-S332 WeakPolarHBondContact O-CA 3.39Å; T325-S332 WeakPolarHBondContact O-CB 3.37Å; T325-S332 PolarHBondContact O-N 3.42Å; T325-S332 VanDerWaalsContact O-O 3.07Å; V330-S332 PolarHBondContact O-N 2.74Å |
| 333 | G | 65.8 | Low | 65.9 | Low | 29 Ų | 29 | 58 Ų | 58 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 152.1 | -162 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P335 | G333-P335 WeakPolarHBondContact O-CD 3.38Š|
| 334 | D | 58.2 | Low | 66.1 | Low | 67 Ų | 67 | 54.9 Ų | 54.9 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | trans | -59.6 | 125.4 | 172 | -166 | -58.4 | 0 | 0 | 0 | 109.1 | L336 D337 V338 | D334-L336 PolarHBondContact O-N 3.4Å; D334-L336 VanDerWaalsContact O-N 3.1Å; D334-L336 WeakPolarHBondContact OD1-CA 3.27Å; D334-L336 WeakPolarHBondContact OD1-CB 3.44Å; D334-L336 PolarHBondContact OD1-N 3.02Å; D334-D337 HydrophobicContact CB-CB 4.12Å; D334-D337 CarbonylContact O-C 3.58Å; D334-D337 WeakPolarHBondContact O-CA 3.37Å; D334-D337 WeakPolarHBondContact O-CB 3.3Å; D334-D337 PolarHBondContact O-N 3.49Å; D334-V338 WeakPolarHBondContact O-CG2 3.38Å; D334-V338 PolarHBondContact O-N 3.43Å | ||
| 335 | P | 54.1 | Low | 66.2 | Low | 30 Ų | 30 | 61.9 Ų | 61.9 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -50.6 | -30.7 | 174.3 | -25.9 | 33.1 | 0 | 0 | 0 | 113.9 | L134 G333 K339 | L134-P335 VanDerWaalsContact CD2-CD 3.4Å; L134-P335 HydrophobicContact CD2-CG 3.85Å; G333-P335 WeakPolarHBondContact O-CD 3.38Å; P335-K339 VanDerWaalsContact O-CB 3.29Å; P335-K339 WeakPolarHBondContact O-CB 3.49Å; P335-K339 WeakPolarHBondContact O-CG 3.42Å; P335-K339 PolarHBondContact O-N 3.31Å |
| 336 | L | 57.9 | Low | 66.7 | Low | 92 Ų | 92 | 60.1 Ų | 60.1 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.5 | -49.7 | 172.8 | -176.2 | 66.7 | 0 | 0 | 0 | 110.3 | D334 V338 K339 M340 | D334-L336 PolarHBondContact O-N 3.4Å; D334-L336 VanDerWaalsContact O-N 3.1Å; D334-L336 WeakPolarHBondContact OD1-CA 3.27Å; D334-L336 WeakPolarHBondContact OD1-CB 3.44Å; D334-L336 PolarHBondContact OD1-N 3.02Å; L336-V338 VanDerWaalsContact C-N 3.29Å; L336-V338 PolarHBondContact O-N 2.81Å; L336-K339 PolarHBondContact O-N 3.15Å; L336-M340 HydrophobicContact CD2-CE 4.47Å; L336-M340 HydrophobicContact CG-CE 4.13Å; L336-M340 WeakPolarHBondContact O-CA 3.23Å; L336-M340 WeakPolarHBondContact O-CB 3.38Å; L336-M340 PolarHBondContact O-N 2.66Å |
| 337 | D | 65.9 | Low | 67.2 | Low | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 174.9 | -75.5 | 3.1 | 0 | 0 | 0 | 110.6 | H322 S323 L324 D334 M340 F341 | H322-D337 HydrophobicContact CB-CB 4.13Å; S323-D337 PolarHBondContact N-OD2 3.06Å; S323-D337 PolarHBondContact OG-OD2 3.23Å; L324-D337 HydrophobicContact CD1-CB 4.5Å; L324-D337 HydrophobicContact CD2-CB 3.51Å; L324-D337 HydrophobicContact CG-CB 3.88Å; D334-D337 HydrophobicContact CB-CB 4.12Å; D334-D337 CarbonylContact O-C 3.58Å; D334-D337 WeakPolarHBondContact O-CA 3.37Å; D334-D337 WeakPolarHBondContact O-CB 3.3Å; D334-D337 PolarHBondContact O-N 3.49Å; D337-M340 PolarHBondContact O-N 3.38Å; D337-F341 VanDerWaalsContact O-CB 3.3Å; D337-F341 WeakPolarHBondContact O-CB 3.42Å; D337-F341 PolarHBondContact O-N 3.08Å |
| 338 | V | 68.7 | Low | 68 | Low | 20 Ų | 20 | 60.9 Ų | 60.9 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -49.1 | -180 | 175.3 | 0 | 0 | 0 | 0 | 110 | L324 D334 L336 M340 F341 Q342 | L324-V338 HydrophobicContact CD2-CB 4.25Å; L324-V338 HydrophobicContact CD2-CG2 3.38Å; D334-V338 WeakPolarHBondContact O-CG2 3.38Å; D334-V338 PolarHBondContact O-N 3.43Å; L336-V338 VanDerWaalsContact C-N 3.29Å; L336-V338 PolarHBondContact O-N 2.81Å; V338-M340 VanDerWaalsContact C-N 3.35Å; V338-F341 PolarHBondContact O-N 2.88Å; V338-Q342 HydrophobicContact CG1-CG 4.35Å; V338-Q342 VanDerWaalsContact O-CB 3.3Å; V338-Q342 WeakPolarHBondContact O-CB 3.37Å; V338-Q342 WeakPolarHBondContact O-CG 3.4Å; V338-Q342 PolarHBondContact O-N 3.34Å |
| 339 | K | 62.6 | Low | 68.4 | Low | 88 Ų | 88 | 56.4 Ų | 56.4 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 178.3 | -77.6 | -179.8 | 179.1 | 179 | 0 | 111.6 | P306 P335 L336 Q342 S343 | P306-K339 HydrophobicContact CG-CB 4.32Å; P335-K339 VanDerWaalsContact O-CB 3.29Å; P335-K339 WeakPolarHBondContact O-CB 3.49Å; P335-K339 WeakPolarHBondContact O-CG 3.42Å; P335-K339 PolarHBondContact O-N 3.31Å; L336-K339 PolarHBondContact O-N 3.15Å; K339-Q342 PolarHBondContact O-N 3.41Å; K339-S343 VanDerWaalsContact O-CB 3.27Å; K339-S343 WeakPolarHBondContact O-CB 3.23Å; K339-S343 PolarHBondContact O-N 2.88Å; K339-S343 PolarHBondContact O-OG 3.48Å |
| 340 | M | 68.5 | Low | 68.5 | Low | 41 Ų | 41 | 58.5 Ų | 58.5 | 20% | 0.202 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -52 | 176 | -173.7 | -178 | -46 | 0 | 0 | 109.8 | M318 L336 D337 V338 S343 T344 | M318-M340 HydrophobicContact CB-CG 3.75Å; M318-M340 HydrophobicContact CB-SD 3.97Å; M318-M340 HydrophobicContact CE-CB 4.44Å; M318-M340 HydrophobicContact CE-CG 3.42Å; M318-M340 VanDerWaalsContact CE-CG 3.42Å; M318-M340 HydrophobicContact CE-SD 4.45Å; M318-M340 HydrophobicContact CG-CG 3.83Å; M318-M340 HydrophobicContact CG-SD 3.8Å; M318-M340 HydrophobicContact SD-CG 4.49Å; L336-M340 HydrophobicContact CD2-CE 4.47Å; L336-M340 HydrophobicContact CG-CE 4.13Å; L336-M340 WeakPolarHBondContact O-CA 3.23Å; L336-M340 WeakPolarHBondContact O-CB 3.38Å; L336-M340 PolarHBondContact O-N 2.66Å; D337-M340 PolarHBondContact O-N 3.38Å; V338-M340 VanDerWaalsContact C-N 3.35Å; M340-S343 WeakPolarHBondContact O-CB 3.38Å; M340-S343 PolarHBondContact O-N 2.85Å; M340-S343 PolarHBondContact O-OG 2.95Å; M340-T344 WeakPolarHBondContact O-CG2 3.47Å; M340-T344 PolarHBondContact O-N 3.47Å |
| 341 | F | 77 | Confident | 67.9 | Low | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.8 | -172.8 | -98.1 | 0 | 0 | 0 | 112.7 | H322 L324 L331 D337 V338 S343 T344 W346 F348 V367 | H322-F341 AromaticContact CD2-CD2 3.4Å; H322-F341 VanDerWaalsContact CD2-CD2 3.4Å; H322-F341 WeakPolarHBondContact CD2-CD2 3.34Å; H322-F341 AromaticContact NE2-CD2 3.43Å; H322-F341 WeakPolarHBondContact NE2-CD2 3.32Å; H322-F341 AromaticContact NE2-CE2 3.61Å; L324-F341 HydrophobicContact CD1-CB 3.46Å; L324-F341 VanDerWaalsContact CD1-CB 3.46Å; L324-F341 HydrophobicContact CD1-CD1 4.26Å; L324-F341 HydrophobicContact CD1-CG 3.85Å; L331-F341 HydrophobicContact CD1-CD1 3.57Å; L331-F341 HydrophobicContact CD1-CE1 3.84Å; D337-F341 VanDerWaalsContact O-CB 3.3Å; D337-F341 WeakPolarHBondContact O-CB 3.42Å; D337-F341 PolarHBondContact O-N 3.08Å; V338-F341 PolarHBondContact O-N 2.88Å; F341-S343 PolarHBondContact O-N 3.43Å; F341-T344 PolarHBondContact O-N 3.48Å; F341-T344 VanDerWaalsContact O-N 3.16Å; F341-T344 PolarHBondContact O-OG1 3.09Å; F341-W346 WeakPolarHBondContact CE1-O 3.35Å; F341-W346 HydrophobicContact CE2-CB 4.15Å; F341-W346 HydrophobicContact CZ-CB 4.13Å; F341-F348 HydrophobicContact CE1-CB 3.88Å; F341-F348 HydrophobicContact CZ-CB 3.85Å; F341-F348 HydrophobicContact CZ-CD2 4.27Å; F341-V367 HydrophobicContact CD2-CG1 4.49Å; F341-V367 HydrophobicContact CE2-CB 3.96Å; F341-V367 HydrophobicContact CE2-CG1 3.43Å; F341-V367 VanDerWaalsContact CE2-CG1 3.43Å; F341-V367 HydrophobicContact CZ-CB 4.3Å; F341-V367 HydrophobicContact CZ-CG1 3.83Å |
| 342 | Q | 75.3 | Confident | 66.9 | Low | 119 Ų | 119 | 62.4 Ų | 62.4 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.8 | -33.4 | 175.3 | -74.9 | 174 | -4.2 | 0 | 0 | 112.3 | V338 K339 T344 K345 | V338-Q342 HydrophobicContact CG1-CG 4.35Å; V338-Q342 VanDerWaalsContact O-CB 3.3Å; V338-Q342 WeakPolarHBondContact O-CB 3.37Å; V338-Q342 WeakPolarHBondContact O-CG 3.4Å; V338-Q342 PolarHBondContact O-N 3.34Å; K339-Q342 PolarHBondContact O-N 3.41Å; Q342-T344 VanDerWaalsContact C-N 3.32Å; Q342-K345 PolarHBondContact O-N 3.42Å |
| 343 | S | 67.6 | Low | 65.8 | Low | 18 Ų | 18 | 63.6 Ų | 63.6 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.6 | -27.7 | 178 | 77 | 0 | 0 | 0 | 0 | 113.1 | K339 M340 F341 K345 | K339-S343 VanDerWaalsContact O-CB 3.27Å; K339-S343 WeakPolarHBondContact O-CB 3.23Å; K339-S343 PolarHBondContact O-N 2.88Å; K339-S343 PolarHBondContact O-OG 3.48Å; M340-S343 WeakPolarHBondContact O-CB 3.38Å; M340-S343 PolarHBondContact O-N 2.85Å; M340-S343 PolarHBondContact O-OG 2.95Å; F341-S343 PolarHBondContact O-N 3.43Å; S343-K345 PolarHBondContact O-N 3.32Å |
| 344 | T | 74 | Confident | 64.8 | Low | 15 Ų | 15 | 71.4 Ų | 71.4 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.1 | -21 | 176 | 72.8 | 0 | 0 | 0 | 0 | 112.2 | V315 M318 A319 M340 F341 Q342 W346 | V315-T344 HydrophobicContact CG1-CG2 3.94Å; M318-T344 HydrophobicContact CB-CG2 3.78Å; A319-T344 HydrophobicContact CB-CG2 4.06Å; M340-T344 WeakPolarHBondContact O-CG2 3.47Å; M340-T344 PolarHBondContact O-N 3.47Å; F341-T344 PolarHBondContact O-N 3.48Å; F341-T344 VanDerWaalsContact O-N 3.16Å; F341-T344 PolarHBondContact O-OG1 3.09Å; Q342-T344 VanDerWaalsContact C-N 3.32Å; T344-W346 VanDerWaalsContact O-CD1 3.27Å; T344-W346 PolarHBondContact O-N 2.88Å; T344-W346 PolarHBondContact OG1-N 2.67Å |
| 345 | K | 73.7 | Confident | 64 | Low | 153 Ų | 153 | 75.5 Ų | 75.5 | 67% | 0.665 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 19.3 | -172.6 | -52.9 | 177.8 | -178.1 | 171.9 | 0 | 114.5 | Q342 S343 | Q342-K345 PolarHBondContact O-N 3.42Å; S343-K345 PolarHBondContact O-N 3.32Å |
| 346 | W | 79.2 | Confident | 63.1 | Low | 41 Ų | 41 | 79.1 Ų | 79.1 | 16% | 0.155 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 156.4 | 173.4 | -72.3 | 38.4 | 0 | 0 | 0 | 110.7 | E316 A319 F341 T344 V367 R368 P369 | E316-W346 HydrophobicContact CG-CH2 4.29Å; E316-W346 HydrophobicContact CG-CZ2 4.01Å; A319-W346 HydrophobicContact CB-CB 4.3Å; A319-W346 HydrophobicContact CB-CD2 3.55Å; A319-W346 HydrophobicContact CB-CE3 3.7Å; A319-W346 HydrophobicContact CB-CG 3.83Å; A319-W346 HydrophobicContact CB-CZ3 4.26Å; F341-W346 WeakPolarHBondContact CE1-O 3.35Å; F341-W346 HydrophobicContact CE2-CB 4.15Å; F341-W346 HydrophobicContact CZ-CB 4.13Å; T344-W346 VanDerWaalsContact O-CD1 3.27Å; T344-W346 PolarHBondContact O-N 2.88Å; T344-W346 PolarHBondContact OG1-N 2.67Å; W346-V367 HydrophobicContact CE3-CB 4.09Å; W346-V367 HydrophobicContact CE3-CG2 3.75Å; W346-V367 HydrophobicContact CZ3-CG2 3.99Å; W346-R368 CarbonylContact C-O 3.6Å; W346-R368 WeakPolarHBondContact CA-O 3.37Å; W346-R368 WeakPolarHBondContact CB-O 3.46Å; W346-P369 HydrophobicContact CD2-CB 4.46Å; W346-P369 HydrophobicContact CZ2-CB 4.49Å |
| 347 | E | 77.9 | Confident | 62.2 | Low | 71 Ų | 71 | 83.2 Ų | 83.2 | 33% | 0.332 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.7 | 174 | -77.7 | 176.5 | 167.9 | 0 | 0 | 110.3 | V367 R368 K370 | E347-V367 CarbonylContact O-C 3.54Å; E347-V367 WeakPolarHBondContact O-CA 3.38Å; E347-R368 HydrophobicContact CB-CG 3.74Å; E347-R368 PolarHBondContact N-O 3.27Å; E347-R368 PolarHBondContact O-N 3.31Å; E347-R368 IonicContact OE2-CZ 3.94Å; E347-R368 IonicContact OE2-NE 2.69Å; E347-R368 PolarHBondContact OE2-NE 3.34Å; E347-R368 IonicContact OE2-NH2 3.93Å; E347-R368 PolarHBondContact OE2-NH2 3Å; E347-K370 HydrophobicContact CG-CD 4.25Å; E347-K370 HydrophobicContact CG-CG 3.63Å; E347-K370 WeakPolarHBondContact OE1-CE 3.22Å |
| 348 | F | 77.7 | Confident | 60.8 | Low | 47 Ų | 47 | 88 Ų | 88 | 21% | 0.206 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 126.9 | 173.9 | -166.5 | -73.5 | 0 | 0 | 0 | 108.8 | H322 L324 P326 L331 F341 A365 V367 | H322-F348 AromaticContact CE1-CD2 3.98Å; H322-F348 AromaticContact CE1-CE2 3.53Å; L324-F348 HydrophobicContact CB-CE2 4.34Å; P326-F348 HydrophobicContact CG-CD1 4Å; P326-F348 HydrophobicContact CG-CE1 3.58Å; P326-F348 HydrophobicContact CG-CZ 4.29Å; L331-F348 HydrophobicContact CD2-CB 3.96Å; L331-F348 HydrophobicContact CD2-CD2 3.62Å; L331-F348 HydrophobicContact CD2-CE2 4.19Å; L331-F348 HydrophobicContact CD2-CG 3.8Å; F341-F348 HydrophobicContact CE1-CB 3.88Å; F341-F348 HydrophobicContact CZ-CB 3.85Å; F341-F348 HydrophobicContact CZ-CD2 4.27Å; F348-A365 HydrophobicContact CE2-CB 3.6Å; F348-A365 HydrophobicContact CZ-CB 3.6Å; F348-V367 HydrophobicContact CD2-CG1 4.24Å |
| 349 | I | 69.8 | Low | 59.7 | Low | 69 Ų | 69 | 95.2 Ų | 95.2 | 35% | 0.354 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.2 | 177.9 | -51.3 | -178.7 | 0 | 0 | 0 | 109 | V351 I366 R368 | I349-V351 PolarHBondContact O-N 2.82Å; I349-I366 HydrophobicContact CB-CB 4.4Å; I349-I366 HydrophobicContact CB-CG2 4.13Å; I349-I366 HydrophobicContact CD1-CG2 4.05Å; I349-I366 HydrophobicContact CG1-CG2 4.42Å; I349-I366 PolarHBondContact N-O 2.83Å; I349-R368 HydrophobicContact CD1-CB 4.02Å; I349-R368 HydrophobicContact CD1-CG 3.92Å; I349-R368 HydrophobicContact CG1-CG 4.09Å |
| 350 | E | 61.4 | Low | 58.5 | Low | 112 Ų | 112 | 98.7 Ų | 98.7 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | trans | -80.8 | 113.9 | 173 | -166.4 | 172.5 | -171.1 | 0 | 0 | 109.7 | P326 I352 | P326-E350 HydrophobicContact CG-CB 4.33Å; P326-E350 HydrophobicContact CG-CG 4.06Å; E350-I352 HydrophobicContact CG-CG1 4.34Å | ||
| 351 | V | 54.8 | Low | 57 | Low | 88 Ų | 88 | 103 Ų | 103 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | trans | -94.8 | 102.1 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | I349 S353 I366 | I349-V351 PolarHBondContact O-N 2.82Å; V351-S353 PolarHBondContact O-N 3.2Å; V351-S353 VanDerWaalsContact O-N 3.12Å; V351-I366 HydrophobicContact CB-CD1 4.48Å; V351-I366 HydrophobicContact CG2-CD1 3.47Å; V351-I366 VanDerWaalsContact CG2-CD1 3.47Å | ||
| 352 | I | 49.8 | Very low | 55.4 | Low | 138 Ų | 138 | 109.5 Ų | 109.5 | 71% | 0.708 | 55% | 0.552 | S | S | * | * | trans | -77 | 92.6 | 170.8 | -54.8 | 167.6 | 0 | 0 | 0 | 107 | E350 | E350-I352 HydrophobicContact CG-CG1 4.34Š| ||
| 353 | S | 42.2 | Very low | 54 | Low | 69 Ų | 69 | 110.1 Ų | 110.1 | 48% | 0.483 | 56% | 0.558 | S | S | . | * | trans | -84.7 | 125.8 | 167.6 | 51.8 | 0 | 0 | 0 | 0 | 109.7 | V351 D355 | V351-S353 PolarHBondContact O-N 3.2Å; V351-S353 VanDerWaalsContact O-N 3.12Å; S353-D355 PolarHBondContact O-N 2.88Å | ||
| 354 | E | 44.3 | Very low | 53.2 | Low | 194 Ų | 194 | 114.2 Ų | 114.2 | 91% | 0.907 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -64.4 | 1.6 | -174.4 | -68 | -179.9 | 153.1 | 0 | 0 | 115.5 | ||
| 355 | D | 40.9 | Very low | 52.6 | Low | 153 Ų | 153 | 115.5 Ų | 115.5 | 82% | 0.818 | 60% | 0.598 | S | S | * | * | trans | -108.2 | 37.9 | -173.2 | -70.7 | -32.5 | 0 | 0 | 0 | 115 | S353 H357 | S353-D355 PolarHBondContact O-N 2.88Å; D355-H357 PolarHBondContact O-N 2.83Å | ||
| 356 | Q | 36 | Very low | 52.3 | Low | 105 Ų | 105 | 112.2 Ų | 112.2 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | trans | -81.3 | 78.7 | -179.1 | -77.9 | -175.1 | -14 | 0 | 0 | 113.7 | ||||
| 357 | H | 39.9 | Very low | 52.2 | Low | 178 Ų | 178 | 111.5 Ų | 111.5 | 82% | 0.824 | 59% | 0.587 | S | S | * | * | trans | -120.5 | 3.2 | 166.5 | -80.4 | -26.7 | 0 | 0 | 0 | 115.3 | D355 | D355-H357 PolarHBondContact O-N 2.83Š| ||
| 358 | N | 35.5 | Very low | 52.1 | Low | 127 Ų | 127 | 112 Ų | 112 | 68% | 0.679 | 59% | 0.586 | S | S | * | * | trans | -131.5 | 100.9 | 173.2 | -104.1 | -16.5 | 0 | 0 | 0 | 110.7 | D360 | N358-D360 PolarHBondContact O-N 3.4Š| ||
| 359 | F | 44.9 | Very low | 51.9 | Low | 171 Ų | 171 | 113.1 Ų | 113.1 | 75% | 0.75 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 5.6 | -177.8 | -70.7 | -83.7 | 0 | 0 | 0 | 114.4 | ||
| 360 | D | 38.8 | Very low | 51.7 | Low | 160 Ų | 160 | 116.3 Ų | 116.3 | 86% | 0.856 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 1.4 | -179.9 | -78.4 | -18.6 | 0 | 0 | 0 | 114.3 | N358 | N358-D360 PolarHBondContact O-N 3.4Š|
| 361 | L | 37 | Very low | 51.4 | Low | 133 Ų | 133 | 117.1 Ų | 117.1 | 70% | 0.696 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -93 | 118.3 | 175.1 | -80.7 | 155.1 | 0 | 0 | 0 | 110.2 | I363 | L361-I363 PolarHBondContact O-N 3.02Š|
| 362 | V | 42.5 | Very low | 51.2 | Low | 138 Ų | 138 | 120.9 Ų | 120.9 | 84% | 0.836 | 63% | 0.63 | S | S | * | * | trans | -53.2 | 101.2 | 172 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | S364 | V362-S364 PolarHBondContact O-N 3.46Š| ||
| 363 | I | 46.4 | Very low | 51.2 | Low | 133 Ų | 133 | 122.1 Ų | 122.1 | 68% | 0.682 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 116.5 | 173.5 | -60.6 | 172.9 | 0 | 0 | 0 | 106.9 | L361 A365 | L361-I363 PolarHBondContact O-N 3.02Å; I363-A365 PolarHBondContact O-N 2.93Å |
| 364 | S | 49.8 | Very low | 51.5 | Low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 118.9 | 174 | -68 | 0 | 0 | 0 | 0 | 109.2 | V362 | V362-S364 PolarHBondContact O-N 3.46Š|
| 365 | A | 62.4 | Low | 51 | Low | 42 Ų | 42 | 121.7 Ų | 121.7 | 35% | 0.347 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 132.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F348 I363 | F348-A365 HydrophobicContact CE2-CB 3.6Å; F348-A365 HydrophobicContact CZ-CB 3.6Å; I363-A365 PolarHBondContact O-N 2.93Å |
| 366 | I | 68 | Low | 50.8 | Low | 84 Ų | 84 | 122.3 Ų | 122.3 | 43% | 0.431 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.8 | 173.6 | -67.8 | 161.9 | 0 | 0 | 0 | 107.9 | I349 V351 | I349-I366 HydrophobicContact CB-CB 4.4Å; I349-I366 HydrophobicContact CB-CG2 4.13Å; I349-I366 HydrophobicContact CD1-CG2 4.05Å; I349-I366 HydrophobicContact CG1-CG2 4.42Å; I349-I366 PolarHBondContact N-O 2.83Å; V351-I366 HydrophobicContact CB-CD1 4.48Å; V351-I366 HydrophobicContact CG2-CD1 3.47Å; V351-I366 VanDerWaalsContact CG2-CD1 3.47Å |
| 367 | V | 75.8 | Confident | 50.9 | Low | 26 Ų | 26 | 125.1 Ų | 125.1 | 16% | 0.158 | 66% | 0.655 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.2 | -176.5 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | T320 F341 W346 E347 F348 | T320-V367 HydrophobicContact CG2-CG2 3.87Å; F341-V367 HydrophobicContact CD2-CG1 4.49Å; F341-V367 HydrophobicContact CE2-CB 3.96Å; F341-V367 HydrophobicContact CE2-CG1 3.43Å; F341-V367 VanDerWaalsContact CE2-CG1 3.43Å; F341-V367 HydrophobicContact CZ-CB 4.3Å; F341-V367 HydrophobicContact CZ-CG1 3.83Å; W346-V367 HydrophobicContact CE3-CB 4.09Å; W346-V367 HydrophobicContact CE3-CG2 3.75Å; W346-V367 HydrophobicContact CZ3-CG2 3.99Å; E347-V367 CarbonylContact O-C 3.54Å; E347-V367 WeakPolarHBondContact O-CA 3.38Å; F348-V367 HydrophobicContact CD2-CG1 4.24Å |
| 368 | R | 75.9 | Confident | 50.5 | Low | 82 Ų | 82 | 126 Ų | 126 | 31% | 0.309 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.8 | 178.4 | 72.1 | -179.5 | -133.8 | 135.5 | 8.1 | 111.6 | W346 E347 I349 E371 | W346-R368 CarbonylContact C-O 3.6Å; W346-R368 WeakPolarHBondContact CA-O 3.37Å; W346-R368 WeakPolarHBondContact CB-O 3.46Å; E347-R368 HydrophobicContact CB-CG 3.74Å; E347-R368 PolarHBondContact N-O 3.27Å; E347-R368 PolarHBondContact O-N 3.31Å; E347-R368 IonicContact OE2-CZ 3.94Å; E347-R368 IonicContact OE2-NE 2.69Å; E347-R368 PolarHBondContact OE2-NE 3.34Å; E347-R368 IonicContact OE2-NH2 3.93Å; E347-R368 PolarHBondContact OE2-NH2 3Å; I349-R368 HydrophobicContact CD1-CB 4.02Å; I349-R368 HydrophobicContact CD1-CG 3.92Å; I349-R368 HydrophobicContact CG1-CG 4.09Å; R368-E371 IonicContact CZ-OE2 3.53Å; R368-E371 IonicContact NH1-OE1 2.96Å; R368-E371 IonicContact NH1-OE2 3.24Å; R368-E371 PolarHBondContact NH1-OE2 2.84Å; R368-E371 IonicContact NH2-OE2 3.09Å; R368-E371 PolarHBondContact NH2-OE2 3.36Å |
| 369 | P | 73.7 | Confident | 50.4 | Low | 71 Ų | 71 | 127.6 Ų | 127.6 | 46% | 0.461 | 66% | 0.661 | S | S | . | * | trans | -66.2 | 147.7 | 166.2 | 28.5 | -32.8 | 0 | 0 | 0 | 110.1 | W346 E371 | W346-P369 HydrophobicContact CD2-CB 4.46Å; W346-P369 HydrophobicContact CZ2-CB 4.49Å; P369-E371 PolarHBondContact O-N 2.92Å | ||
| 370 | K | 66.8 | Low | 49.9 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 59% | 0.587 | 67% | 0.668 | S | S | * | * | trans | -67.1 | 117.5 | 170.5 | -78.2 | -173.6 | 174.8 | -176.1 | 0 | 109.4 | E347 D372 | E347-K370 HydrophobicContact CG-CD 4.25Å; E347-K370 HydrophobicContact CG-CG 3.63Å; E347-K370 WeakPolarHBondContact OE1-CE 3.22Å; K370-D372 PolarHBondContact O-N 3.5Å | ||
| 371 | E | 54 | Low | 49.5 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 61% | 0.607 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 95.9 | 173.6 | -71.2 | 164.9 | 148.2 | 0 | 0 | 109.3 | R368 P369 | R368-E371 IonicContact CZ-OE2 3.53Å; R368-E371 IonicContact NH1-OE1 2.96Å; R368-E371 IonicContact NH1-OE2 3.24Å; R368-E371 PolarHBondContact NH1-OE2 2.84Å; R368-E371 IonicContact NH2-OE2 3.09Å; R368-E371 PolarHBondContact NH2-OE2 3.36Å; P369-E371 PolarHBondContact O-N 2.92Å |
| 372 | D | 51.1 | Low | 49.1 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 89% | 0.888 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.8 | 4.4 | 158.3 | -95.4 | -22.6 | 0 | 0 | 0 | 114.9 | K370 | K370-D372 PolarHBondContact O-N 3.5Š|
| 373 | E | 49.1 | Very low | 48.6 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -132 | -3.9 | 177.1 | -94.5 | -178.4 | 170 | 0 | 0 | 116.5 | ||
| 374 | Y | 47.9 | Very low | 48.2 | Very low | 186 Ų | 186 | 128.1 Ų | 128.1 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | trans | -142.4 | 118.5 | -178.1 | -70.2 | -86.7 | 0 | 0 | 0 | 111.9 | ||||
| 375 | G | 35.8 | Very low | 47.6 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | trans | -83.3 | 144.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I377 | G375-I377 PolarHBondContact O-N 2.84Š| ||
| 376 | D | 35.9 | Very low | 46.2 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 89% | 0.888 | 68% | 0.684 | S | S | * | * | trans | 41.4 | 59.6 | 157.8 | -65.4 | -13.2 | 0 | 0 | 0 | 118.7 | ||||
| 377 | I | 37.9 | Very low | 44.9 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 84% | 0.841 | 69% | 0.693 | S | S | * | * | trans | -127.1 | 74.2 | 153.5 | -52.1 | 177.9 | 0 | 0 | 0 | 108.5 | G375 | G375-I377 PolarHBondContact O-N 2.84Š| ||
| 378 | F | 32.3 | Very low | 43.3 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -87 | 145.3 | 163 | -128.1 | -97.1 | 0 | 0 | 0 | 108.1 | ||||
| 379 | E | 32 | Very low | 41.4 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | 83.5 | 93.3 | -174.2 | -56.5 | -156.2 | 157.1 | 0 | 0 | 115.9 | ||||
| 380 | Y | 35.7 | Very low | 39.7 | Very low | 229 Ų | 229 | 151.2 Ų | 151.2 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | -158.9 | 115.6 | 116.1 | -102.3 | -73.1 | 0 | 0 | 0 | 111.2 | |||||
| 381 | L | 30.1 | Very low | 38.5 | Very low | 144 Ų | 144 | 148 Ų | 148 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -72.3 | 143.6 | 172.6 | -149 | 86.4 | 0 | 0 | 0 | 110 | ||||
| 382 | L | 29.1 | Very low | 37.8 | Very low | 156 Ų | 156 | 146 Ų | 146 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | trans | 69.3 | 53.9 | 142.9 | -110.4 | 152.9 | 0 | 0 | 0 | 120 | ||||
| 383 | I | 31.4 | Very low | 37.3 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | trans | -144.4 | 88.6 | 163.6 | -50.1 | 175.9 | 0 | 0 | 0 | 111.9 | ||||
| 384 | S | 36.9 | Very low | 36.7 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 57% | 0.566 | 73% | 0.732 | S | S | * | * | trans | -136 | -0.3 | 170 | 65.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 385 | A | 37.3 | Very low | 36.3 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -83.8 | -21.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 386 | R | 33.8 | Very low | 36.3 | Very low | 229 Ų | 229 | 141.4 Ų | 141.4 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -105.7 | -17.2 | -166 | -141.2 | 161.8 | -168.6 | 179.1 | 1.4 | 116 | ||
| 387 | I | 40.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -86.4 | -20.7 | 177.3 | -62.3 | 174 | 0 | 0 | 0 | 111.3 | W389 | I387-W389 PolarHBondContact O-N 3.33Š|
| 388 | C | 41.4 | Very low | 36.5 | Very low | 73 Ų | 73 | 131 Ų | 131 | 49% | 0.493 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -66.3 | -32.8 | -176.4 | -156.6 | 0 | 0 | 0 | 0 | 113.3 | N390 L392 | C388-N390 PolarHBondContact O-N 2.83Å; C388-L392 WeakPolarHBondContact O-CD1 3.38Å; C388-L392 VanDerWaalsContact O-CG 3.26Å; C388-L392 WeakPolarHBondContact O-CG 3.24Å; C388-L392 PolarHBondContact O-N 2.88Å |
| 389 | W | 37 | Very low | 37 | Very low | 215 Ų | 215 | 129 Ų | 129 | 81% | 0.814 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.2 | -31.3 | -171.7 | -147.8 | -89.3 | 0 | 0 | 0 | 115.3 | I387 | I387-W389 PolarHBondContact O-N 3.33Å |
| 390 | N | 37.6 | Very low | 37.4 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 86% | 0.861 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -97.9 | -8.2 | -177.5 | -81.3 | -12.4 | 0 | 0 | 0 | 114.3 | C388 | C388-N390 PolarHBondContact O-N 2.83Å |
| 391 | S | 41.1 | Very low | 37.6 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 48% | 0.476 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -107.8 | -3.4 | 178.5 | -132.1 | 0 | 0 | 0 | 0 | 113.9 | G393 K394 A395 | S391-G393 PolarHBondContact O-N 3.09Å; S391-G393 VanDerWaalsContact O-N 3.13Å; S391-K394 PolarHBondContact O-N 3.32Å; S391-A395 PolarHBondContact O-N 3.04Å |
| 392 | L | 40.1 | Very low | 38 | Very low | 86 Ų | 86 | 122.3 Ų | 122.3 | 45% | 0.45 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.1 | -26 | 178.7 | -99.6 | 154.5 | 0 | 0 | 0 | 113.9 | C388 K394 A395 | C388-L392 WeakPolarHBondContact O-CD1 3.38Å; C388-L392 VanDerWaalsContact O-CG 3.26Å; C388-L392 WeakPolarHBondContact O-CG 3.24Å; C388-L392 PolarHBondContact O-N 2.88Å; L392-K394 VanDerWaalsContact C-N 3.29Å; L392-K394 PolarHBondContact O-N 2.99Å; L392-A395 PolarHBondContact O-N 3.4Å |
| 393 | G | 39.4 | Very low | 38.2 | Very low | 73 Ų | 73 | 118 Ų | 118 | 75% | 0.753 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.6 | -20.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S391 | S391-G393 PolarHBondContact O-N 3.09Å; S391-G393 VanDerWaalsContact O-N 3.13Å |
| 394 | K | 36.4 | Very low | 38.5 | Very low | 171 Ų | 171 | 116.5 Ų | 116.5 | 74% | 0.743 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -98.7 | -19.8 | 176.7 | -68.4 | -178.5 | 179.2 | 178.8 | 0 | 112.8 | S391 L392 A397 | S391-K394 PolarHBondContact O-N 3.32Å; L392-K394 VanDerWaalsContact C-N 3.29Å; L392-K394 PolarHBondContact O-N 2.99Å; K394-A397 PolarHBondContact O-N 3.15Å |
| 395 | A | 39.7 | Very low | 38.8 | Very low | 54 Ų | 54 | 114.7 Ų | 114.7 | 45% | 0.446 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.8 | -27.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S391 L392 A397 F398 | S391-A395 PolarHBondContact O-N 3.04Å; L392-A395 PolarHBondContact O-N 3.4Å; A395-A397 VanDerWaalsContact C-N 3.26Å; A395-A397 PolarHBondContact O-N 3.19Å; A395-F398 VanDerWaalsContact O-CB 3.22Å; A395-F398 WeakPolarHBondContact O-CB 3.2Å; A395-F398 PolarHBondContact O-N 3.21Å |
| 396 | F | 37.3 | Very low | 39 | Very low | 190 Ų | 190 | 113.8 Ų | 113.8 | 83% | 0.833 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -70.9 | -19.8 | 174 | -117.8 | -92.7 | 0 | 0 | 0 | 113.4 | F398 | F396-F398 VanDerWaalsContact C-N 3.28Å; F396-F398 PolarHBondContact O-N 3.08Å |
| 397 | A | 38.6 | Very low | 39.6 | Very low | 60 Ų | 60 | 112.4 Ų | 112.4 | 50% | 0.496 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -79.6 | -8.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K394 A395 W399 H400 | K394-A397 PolarHBondContact O-N 3.15Å; A395-A397 VanDerWaalsContact C-N 3.26Å; A395-A397 PolarHBondContact O-N 3.19Å; A397-W399 PolarHBondContact O-N 3Å; A397-H400 WeakPolarHBondContact O-CB 3.3Å; A397-H400 PolarHBondContact O-N 2.51Å |
| 398 | F | 39.4 | Very low | 40 | Very low | 51 Ų | 51 | 109.9 Ų | 109.9 | 22% | 0.224 | 57% | 0.566 | C | S | . | * | G | 310 helix | trans | -65.1 | -21.9 | -176.3 | -167.2 | -110.3 | 0 | 0 | 0 | 113.5 | L309 L314 M318 A395 F396 H400 | L309-F398 HydrophobicContact CD1-CZ 4.38Å; L309-F398 HydrophobicContact CD2-CE2 3.59Å; L309-F398 HydrophobicContact CD2-CZ 3.49Å; L309-F398 VanDerWaalsContact CD2-CZ 3.49Å; L314-F398 HydrophobicContact CD2-CD2 3.62Å; L314-F398 HydrophobicContact CD2-CE2 3.46Å; L314-F398 VanDerWaalsContact CD2-CE2 3.46Å; L314-F398 HydrophobicContact CG-CD2 4.48Å; L314-F398 HydrophobicContact CG-CE2 4.17Å; M318-F398 HydrophobicContact CE-CE1 3.61Å; M318-F398 HydrophobicContact CE-CZ 3.41Å; M318-F398 VanDerWaalsContact CE-CZ 3.41Å; M318-F398 HydrophobicContact SD-CE1 3.87Å; M318-F398 HydrophobicContact SD-CE2 4.03Å; M318-F398 HydrophobicContact SD-CZ 3.32Å; M318-F398 WeakPolarHBondContact SD-CZ 3.26Å; A395-F398 VanDerWaalsContact O-CB 3.22Å; A395-F398 WeakPolarHBondContact O-CB 3.2Å; A395-F398 PolarHBondContact O-N 3.21Å; F396-F398 VanDerWaalsContact C-N 3.28Å; F396-F398 PolarHBondContact O-N 3.08Å; F398-H400 VanDerWaalsContact C-N 3.3Å; F398-H400 PolarHBondContact O-N 2.73Å |
| 399 | W | 41.8 | Very low | 40.5 | Very low | 156 Ų | 156 | 108.4 Ų | 108.4 | 59% | 0.591 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -77.4 | -13.6 | 173.6 | -119.8 | 84.6 | 0 | 0 | 0 | 114 | A397 T432 | A397-W399 PolarHBondContact O-N 3Å; W399-T432 HydrophobicContact CE3-CG2 3.88Å; W399-T432 HydrophobicContact CH2-CG2 3.91Å; W399-T432 HydrophobicContact CZ3-CG2 3.2Å |
| 400 | H | 40.7 | Very low | 41.1 | Very low | 123 Ų | 123 | 102.2 Ų | 102.2 | 57% | 0.569 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -96.4 | -5.9 | -175.5 | -135.1 | -99.9 | 0 | 0 | 0 | 113.4 | A397 F398 S435 | A397-H400 WeakPolarHBondContact O-CB 3.3Å; A397-H400 PolarHBondContact O-N 2.51Å; F398-H400 VanDerWaalsContact C-N 3.3Å; F398-H400 PolarHBondContact O-N 2.73Å; H400-S435 PolarHBondContact CE1-OG 3.4Å; H400-S435 PolarHBondContact NE2-OG 3.47Å |
| 401 | W | 40.5 | Very low | 42.1 | Very low | 195 Ų | 195 | 98.4 Ų | 98.4 | 74% | 0.739 | 51% | 0.508 | S | S | * | . | trans | -132.4 | 62.7 | -168.6 | -157.9 | 80.8 | 0 | 0 | 0 | 112.6 | ||||
| 402 | L | 38.4 | Very low | 42.8 | Very low | 76 Ų | 76 | 95.4 Ų | 95.4 | 40% | 0.398 | 49% | 0.486 | S | S | . | . | trans | -121.1 | 80.9 | 164.2 | -95.3 | 164.4 | 0 | 0 | 0 | 109.1 | L309 | L309-L402 HydrophobicContact CD1-CD2 4.29Š| ||
| 403 | G | 33.2 | Very low | 43.5 | Very low | 64 Ų | 64 | 92.8 Ų | 92.8 | 66% | 0.66 | 47% | 0.473 | S | S | * | . | trans | -85.9 | 102.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 404 | D | 36.9 | Very low | 44.2 | Very low | 105 Ų | 105 | 91.2 Ų | 91.2 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | trans | -147.7 | 86.5 | 142.1 | -152.2 | -2.8 | 0 | 0 | 0 | 107.6 | K308 | K308-D404 WeakPolarHBondContact CD-OD2 3.24Å; K308-D404 IonicContact NZ-OD2 2.79Å; K308-D404 PolarHBondContact NZ-OD2 2.94Å | ||
| 405 | L | 44.3 | Very low | 45.3 | Very low | 43 Ų | 43 | 83.1 Ų | 83.1 | 23% | 0.225 | 42% | 0.415 | C | S | . | . | trans | -114.8 | -5.9 | -148.3 | -119.6 | 164.4 | 0 | 0 | 0 | 111.5 | R407 R408 H409 N439 | L405-R407 PolarHBondContact O-N 2.97Å; L405-R407 VanDerWaalsContact O-N 3.1Å; L405-R408 PolarHBondContact O-N 2.94Å; L405-H409 WeakPolarHBondContact CB-CE1 3.43Å; L405-H409 WeakPolarHBondContact CD2-NE2 3.3Å; L405-H409 PolarHBondContact O-N 3.4Å; L405-H409 PolarHBondContact O-ND1 3.41Å; L405-N439 HydrophobicContact CD1-CB 4.26Å; L405-N439 HydrophobicContact CD2-CB 4.48Å | ||
| 406 | S | 41.2 | Very low | 46.2 | Very low | 78 Ų | 78 | 82.8 Ų | 82.8 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.9 | -27 | -163.8 | 70.7 | 0 | 0 | 0 | 0 | 116.7 | I410 | S406-I410 VanDerWaalsContact O-CD1 3.3Å; S406-I410 WeakPolarHBondContact O-CD1 3.26Å; S406-I410 WeakPolarHBondContact O-CG1 3.14Å |
| 407 | R | 45.7 | Very low | 47.3 | Very low | 199 Ų | 199 | 82.2 Ų | 82.2 | 75% | 0.751 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -96 | -24.5 | -176.1 | -68 | -171.9 | -173.2 | -170.2 | 3.3 | 114.7 | L405 Y411 | L405-R407 PolarHBondContact O-N 2.97Å; L405-R407 VanDerWaalsContact O-N 3.1Å; R407-Y411 WeakPolarHBondContact O-CD2 3Å; R407-Y411 VanDerWaalsContact O-CE2 3.29Å; R407-Y411 WeakPolarHBondContact O-CE2 3.17Å |
| 408 | R | 50.1 | Low | 48.5 | Very low | 67 Ų | 67 | 79.4 Ų | 79.4 | 25% | 0.253 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -86.1 | -38.1 | -176.1 | -64.9 | 175.7 | -175.1 | -159.9 | -5.5 | 111.7 | E303 C304 L405 I410 Y411 V412 | E303-R408 PolarHBondContact O-NH1 3.49Å; E303-R408 PolarHBondContact O-NH2 2.86Å; C304-R408 VanDerWaalsContact CA-NH1 3.27Å; C304-R408 PolarHBondContact SG-NH1 3.12Å; L405-R408 PolarHBondContact O-N 2.94Å; R408-I410 PolarHBondContact O-N 3.48Å; R408-Y411 PolarHBondContact O-N 2.97Å; R408-Y411 VanDerWaalsContact O-N 3.08Å; R408-V412 PolarHBondContact O-N 3.37Å |
| 409 | H | 50.7 | Low | 50.1 | Low | 42 Ų | 42 | 83.3 Ų | 83.3 | 19% | 0.194 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -43.7 | -50.8 | 167.7 | -67.2 | 150 | 0 | 0 | 0 | 111.1 | L405 Y411 V412 L413 N439 | L405-H409 WeakPolarHBondContact CB-CE1 3.43Å; L405-H409 WeakPolarHBondContact CD2-NE2 3.3Å; L405-H409 PolarHBondContact O-N 3.4Å; L405-H409 PolarHBondContact O-ND1 3.41Å; H409-Y411 PolarHBondContact O-N 3.33Å; H409-Y411 VanDerWaalsContact O-N 3.12Å; H409-V412 PolarHBondContact O-N 3.31Å; H409-L413 HydrophobicContact CB-CD1 4.18Å; H409-L413 WeakPolarHBondContact O-CB 3.36Å; H409-L413 WeakPolarHBondContact O-CD1 3.41Å; H409-L413 VanDerWaalsContact O-CG 3.24Å; H409-L413 WeakPolarHBondContact O-CG 3.3Å; H409-L413 PolarHBondContact O-N 3.2Å; H409-N439 PolarHBondContact CD2-O 3.4Å; H409-N439 PolarHBondContact NE2-O 3.49Å |
| 410 | I | 50.6 | Low | 52.1 | Low | 84 Ų | 84 | 76 Ų | 76 | 43% | 0.431 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.8 | -34.3 | -173.3 | -62.9 | 172.6 | 0 | 0 | 0 | 112 | S406 R408 C414 | S406-I410 VanDerWaalsContact O-CD1 3.3Å; S406-I410 WeakPolarHBondContact O-CD1 3.26Å; S406-I410 WeakPolarHBondContact O-CG1 3.14Å; R408-I410 PolarHBondContact O-N 3.48Å; I410-C414 VanDerWaalsContact O-CB 3.25Å; I410-C414 WeakPolarHBondContact O-CB 3.24Å; I410-C414 PolarHBondContact O-N 2.85Å; I410-C414 PolarHBondContact O-SG 3.08Å |
| 411 | Y | 58.1 | Low | 54.3 | Low | 82 Ų | 82 | 72 Ų | 72 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -83.6 | -39.6 | -174.8 | -62.9 | -56.7 | 0 | 0 | 0 | 113.2 | R407 R408 H409 L413 C414 A415 I704 S705 P708 | R407-Y411 WeakPolarHBondContact O-CD2 3Å; R407-Y411 VanDerWaalsContact O-CE2 3.29Å; R407-Y411 WeakPolarHBondContact O-CE2 3.17Å; R408-Y411 PolarHBondContact O-N 2.97Å; R408-Y411 VanDerWaalsContact O-N 3.08Å; H409-Y411 PolarHBondContact O-N 3.33Å; H409-Y411 VanDerWaalsContact O-N 3.12Å; Y411-L413 VanDerWaalsContact C-N 3.33Å; Y411-C414 PolarHBondContact O-N 3.25Å; Y411-A415 PolarHBondContact O-N 3.33Å; Y411-I704 HydrophobicContact CD2-CG1 4.37Å; Y411-S705 VanDerWaalsContact CZ-CB 3.44Å; Y411-P708 HydrophobicContact CD1-CG 3.67Å; Y411-P708 HydrophobicContact CE1-CG 4.44Å; Y411-P708 HydrophobicContact CG-CG 4.34Å |
| 412 | V | 56.4 | Low | 56.5 | Low | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 169.5 | -178.4 | 0 | 0 | 0 | 0 | 109 | R408 H409 C414 A415 C416 P422 C440 M442 I704 | R408-V412 PolarHBondContact O-N 3.37Å; H409-V412 PolarHBondContact O-N 3.31Å; V412-C414 VanDerWaalsContact C-N 3.29Å; V412-C414 PolarHBondContact O-N 3.41Å; V412-A415 CarbonylContact O-C 3.56Å; V412-A415 WeakPolarHBondContact O-CA 3.48Å; V412-A415 WeakPolarHBondContact O-CB 3.12Å; V412-A415 PolarHBondContact O-N 3.24Å; V412-C416 PolarHBondContact O-N 3.33Å; V412-C416 PolarHBondContact O-SG 2.67Å; V412-P422 HydrophobicContact CG1-CB 4.18Å; V412-P422 HydrophobicContact CG1-CG 4.3Å; V412-C440 WeakPolarHBondContact CB-O 3.26Å; V412-C440 VanDerWaalsContact CG1-O 3.24Å; V412-C440 WeakPolarHBondContact CG1-O 3.27Å; V412-C440 HydrophobicContact CG2-CB 4.43Å; V412-M442 HydrophobicContact CG1-CG 3.77Å; V412-I704 HydrophobicContact CG2-CD1 3.73Å |
| 413 | L | 53.1 | Low | 59 | Low | 32 Ų | 32 | 59.6 Ų | 59.6 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55 | -40.8 | 170.6 | -84 | 168.9 | 0 | 0 | 0 | 113.2 | H409 Y411 A415 C416 R417 E441 | H409-L413 HydrophobicContact CB-CD1 4.18Å; H409-L413 WeakPolarHBondContact O-CB 3.36Å; H409-L413 WeakPolarHBondContact O-CD1 3.41Å; H409-L413 VanDerWaalsContact O-CG 3.24Å; H409-L413 WeakPolarHBondContact O-CG 3.3Å; H409-L413 PolarHBondContact O-N 3.2Å; Y411-L413 VanDerWaalsContact C-N 3.33Å; L413-A415 VanDerWaalsContact C-N 3.31Å; L413-A415 PolarHBondContact O-N 3.05Å; L413-C416 PolarHBondContact O-N 2.95Å; L413-R417 WeakPolarHBondContact O-CB 3.36Å; L413-R417 WeakPolarHBondContact O-CG 3.19Å; L413-R417 PolarHBondContact O-N 2.97Å; L413-E441 WeakPolarHBondContact CD1-OE2 3.31Å; L413-E441 WeakPolarHBondContact CD2-OE2 3.15Å; L413-E441 WeakPolarHBondContact CG-OE2 3.45Å |
| 414 | C | 55.7 | Low | 61.7 | Low | 39 Ų | 39 | 56.6 Ų | 56.6 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 177.1 | -81.1 | 0 | 0 | 0 | 0 | 111.5 | I410 Y411 V412 A418 P708 | I410-C414 VanDerWaalsContact O-CB 3.25Å; I410-C414 WeakPolarHBondContact O-CB 3.24Å; I410-C414 PolarHBondContact O-N 2.85Å; I410-C414 PolarHBondContact O-SG 3.08Å; Y411-C414 PolarHBondContact O-N 3.25Å; V412-C414 VanDerWaalsContact C-N 3.29Å; V412-C414 PolarHBondContact O-N 3.41Å; C414-A418 VanDerWaalsContact O-CB 3.22Å; C414-A418 WeakPolarHBondContact O-CB 3.46Å; C414-A418 PolarHBondContact O-N 3.2Å; C414-A418 VanDerWaalsContact O-N 3.07Å; C414-P708 HydrophobicContact CB-CB 4.47Å |
| 415 | A | 58.4 | Low | 64.3 | Low | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.5 | -46 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y411 V412 L413 A418 N419 I420 | Y411-A415 PolarHBondContact O-N 3.33Å; V412-A415 CarbonylContact O-C 3.56Å; V412-A415 WeakPolarHBondContact O-CA 3.48Å; V412-A415 WeakPolarHBondContact O-CB 3.12Å; V412-A415 PolarHBondContact O-N 3.24Å; L413-A415 VanDerWaalsContact C-N 3.31Å; L413-A415 PolarHBondContact O-N 3.05Å; A415-A418 CarbonylContact O-C 3.49Å; A415-A418 WeakPolarHBondContact O-CA 2.9Å; A415-A418 WeakPolarHBondContact O-CB 3.46Å; A415-A418 PolarHBondContact O-N 3.01Å; A415-A418 VanDerWaalsContact O-N 3.09Å; A415-N419 PolarHBondContact O-N 2.86Å; A415-I420 CarbonylContact C-O 3.57Å; A415-I420 HydrophobicContact CB-CB 4.3Å; A415-I420 WeakPolarHBondContact O-CB 3.32Å; A415-I420 PolarHBondContact O-N 3.45Å |
| 416 | C | 59.2 | Low | 66.3 | Low | 47 Ų | 47 | 49.7 Ų | 49.7 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.6 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | V412 L413 A418 N419 | V412-C416 PolarHBondContact O-N 3.33Å; V412-C416 PolarHBondContact O-SG 2.67Å; L413-C416 PolarHBondContact O-N 2.95Å; C416-A418 PolarHBondContact O-N 3.32Å; C416-N419 WeakPolarHBondContact O-CA 3.49Å; C416-N419 PolarHBondContact O-N 3.26Å |
| 417 | R | 61.3 | Low | 68.2 | Low | 177 Ų | 177 | 47.4 Ų | 47.4 | 67% | 0.668 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.3 | -28.6 | 175 | -74.2 | 175.4 | 179.4 | 165.7 | 2.1 | 112.4 | L413 N419 | L413-R417 WeakPolarHBondContact O-CB 3.36Å; L413-R417 WeakPolarHBondContact O-CG 3.19Å; L413-R417 PolarHBondContact O-N 2.97Å; R417-N419 PolarHBondContact O-N 2.88Å |
| 418 | A | 62.5 | Low | 69.7 | Low | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 9.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C414 A415 C416 I420 L778 S779 A780 | C414-A418 VanDerWaalsContact O-CB 3.22Å; C414-A418 WeakPolarHBondContact O-CB 3.46Å; C414-A418 PolarHBondContact O-N 3.2Å; C414-A418 VanDerWaalsContact O-N 3.07Å; A415-A418 CarbonylContact O-C 3.49Å; A415-A418 WeakPolarHBondContact O-CA 2.9Å; A415-A418 WeakPolarHBondContact O-CB 3.46Å; A415-A418 PolarHBondContact O-N 3.01Å; A415-A418 VanDerWaalsContact O-N 3.09Å; C416-A418 PolarHBondContact O-N 3.32Å; A418-I420 HydrophobicContact CB-CD1 4.14Å; A418-I420 HydrophobicContact CB-CG1 4.07Å; A418-I420 PolarHBondContact O-N 3.4Å; A418-L778 HydrophobicContact CB-CB 4.08Å; A418-L778 HydrophobicContact CB-CD2 3.35Å; A418-L778 HydrophobicContact CB-CG 3.48Å; A418-L778 VanDerWaalsContact CB-CG 3.48Å; A418-S779 WeakPolarHBondContact CB-O 3.41Å; A418-A780 VanDerWaalsContact O-O 3.05Å |
| 419 | N | 74 | Confident | 71.2 | Confident | 134 Ų | 134 | 39.4 Ų | 39.4 | 72% | 0.717 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.8 | -176.1 | -159.5 | 12 | 0 | 0 | 0 | 112.9 | A415 C416 R417 | A415-N419 PolarHBondContact O-N 2.86Å; C416-N419 WeakPolarHBondContact O-CA 3.49Å; C416-N419 PolarHBondContact O-N 3.26Å; R417-N419 PolarHBondContact O-N 2.88Å |
| 420 | I | 83 | Confident | 72.7 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -103.3 | 120 | 173.6 | -54.6 | -178.3 | 0 | 0 | 0 | 106.6 | I294 A415 A418 P422 I711 L778 | I294-I420 HydrophobicContact CG2-CG2 4.16Å; A415-I420 CarbonylContact C-O 3.57Å; A415-I420 HydrophobicContact CB-CB 4.3Å; A415-I420 WeakPolarHBondContact O-CB 3.32Å; A415-I420 PolarHBondContact O-N 3.45Å; A418-I420 HydrophobicContact CB-CD1 4.14Å; A418-I420 HydrophobicContact CB-CG1 4.07Å; A418-I420 PolarHBondContact O-N 3.4Å; I420-P422 VanDerWaalsContact O-CD 3.29Å; I420-P422 WeakPolarHBondContact O-CD 3.21Å; I420-I711 HydrophobicContact CD1-CD1 3.68Å; I420-I711 HydrophobicContact CD1-CG2 3.92Å; I420-L778 HydrophobicContact CD1-CD2 4.04Å |
| 421 | R | 86.7 | Confident | 74 | Confident | 38 Ų | 38 | 37.6 Ų | 37.6 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 119.1 | -176.4 | -176.5 | 175 | 179.3 | -132.2 | -3.2 | 110.3 | S295 L296 T297 V423 V636 V637 K638 G639 | S295-R421 PolarHBondContact O-N 3.28Å; L296-R421 CarbonylContact C-O 3.47Å; L296-R421 VanDerWaalsContact CA-O 3.3Å; L296-R421 WeakPolarHBondContact CA-O 3.41Å; L296-R421 HydrophobicContact CD1-CB 4.45Å; L296-R421 HydrophobicContact CD1-CG 4.46Å; L296-R421 HydrophobicContact CG-CB 4.37Å; T297-R421 PolarHBondContact N-O 3.05Å; R421-V423 HydrophobicContact CG-CG2 4.31Å; R421-V636 PolarHBondContact NH1-O 3.42Å; R421-V637 PolarHBondContact NH1-O 3.22Å; R421-V637 VanDerWaalsContact NH1-O 3.1Å; R421-V637 PolarHBondContact NH2-O 3.33Å; R421-V637 VanDerWaalsContact NH2-O 3.13Å; R421-K638 PolarHBondContact NH2-O 3.09Å; R421-G639 PolarHBondContact NH2-O 3.48Å |
| 422 | P | 87.7 | Confident | 74.8 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.071 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 141.6 | 170.5 | 37.2 | -37.2 | 0 | 0 | 0 | 109.8 | T297 F299 V412 I420 M442 | T297-P422 CarbonylContact O-C 3.57Å; T297-P422 WeakPolarHBondContact O-CA 3.32Å; F299-P422 HydrophobicContact CE2-CB 4.09Å; V412-P422 HydrophobicContact CG1-CB 4.18Å; V412-P422 HydrophobicContact CG1-CG 4.3Å; I420-P422 VanDerWaalsContact O-CD 3.29Å; I420-P422 WeakPolarHBondContact O-CD 3.21Å; P422-M442 HydrophobicContact CB-CE 4.01Å; P422-M442 HydrophobicContact CB-CG 4.07Å; P422-M442 HydrophobicContact CG-CB 4.2Å; P422-M442 HydrophobicContact CG-CG 4.1Å |
| 423 | V | 90.3 | Very high | 76 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137.9 | 174.6 | 175.4 | 0 | 0 | 0 | 0 | 108.6 | L296 T297 C298 F299 R421 V425 T640 F642 F657 | L296-V423 HydrophobicContact CD1-CG2 3.9Å; L296-V423 HydrophobicContact CD2-CB 4.4Å; L296-V423 HydrophobicContact CD2-CG2 4.1Å; L296-V423 HydrophobicContact CG-CG2 4.03Å; T297-V423 PolarHBondContact O-N 2.92Å; C298-V423 CarbonylContact C-O 3.58Å; C298-V423 VanDerWaalsContact CA-O 3.25Å; C298-V423 WeakPolarHBondContact CA-O 3.18Å; F299-V423 PolarHBondContact N-O 2.89Å; R421-V423 HydrophobicContact CG-CG2 4.31Å; V423-V425 HydrophobicContact CG1-CG2 3.98Å; V423-T640 WeakPolarHBondContact CG1-O 3.4Å; V423-F642 HydrophobicContact CG1-CD2 3.66Å; V423-F642 HydrophobicContact CG1-CE2 3.68Å; V423-F657 HydrophobicContact CB-CZ 4.33Å; V423-F657 HydrophobicContact CG1-CE2 4.08Å; V423-F657 HydrophobicContact CG1-CZ 3.78Å; V423-F657 HydrophobicContact CG2-CE1 4.32Å; V423-F657 HydrophobicContact CG2-CZ 3.97Å |
| 424 | M | 89.8 | Confident | 77.4 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126 | 175.8 | -172 | 177.5 | -69.1 | 0 | 0 | 108.9 | T426 S433 V436 A437 M442 T640 F642 | M424-T426 HydrophobicContact CG-CG2 4.18Å; M424-T426 HydrophobicContact SD-CG2 4.28Å; M424-S433 VanDerWaalsContact SD-O 3.37Å; M424-V436 HydrophobicContact CE-CB 3.98Å; M424-V436 HydrophobicContact CE-CG1 3.71Å; M424-A437 HydrophobicContact CE-CB 3.89Å; M424-M442 HydrophobicContact CB-CE 3.69Å; M424-M442 HydrophobicContact CB-SD 4.44Å; M424-M442 HydrophobicContact CE-SD 3.97Å; M424-T640 PolarHBondContact N-O 3.36Å; M424-F642 PolarHBondContact O-N 3.23Å |
| 425 | V | 90.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 103.4 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | C298 F299 V423 F642 K650 V653 | C298-V425 HydrophobicContact CB-CG2 4.25Å; F299-V425 PolarHBondContact O-N 3.44Å; V423-V425 HydrophobicContact CG1-CG2 3.98Å; V425-F642 WeakPolarHBondContact CA-O 3.45Å; V425-F642 HydrophobicContact CG1-CB 4.38Å; V425-F642 HydrophobicContact CG2-CB 4.31Å; V425-F642 HydrophobicContact CG2-CD2 4.18Å; V425-K650 HydrophobicContact CG1-CB 4Å; V425-K650 HydrophobicContact CG1-CD 4.32Å; V425-K650 HydrophobicContact CG1-CG 3.82Å; V425-V653 HydrophobicContact CG2-CG1 4.4Å |
| 426 | T | 86.9 | Confident | 79.2 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | trans | -139.2 | 157.3 | -169.3 | -169.6 | 0 | 0 | 0 | 0 | 112.9 | D300 M424 D428 S433 F642 A643 R644 F645 | D300-T426 WeakPolarHBondContact OD1-CA 3.36Å; D300-T426 VanDerWaalsContact OD1-CB 3.28Å; D300-T426 WeakPolarHBondContact OD1-CB 3.49Å; D300-T426 PolarHBondContact OD1-OG1 3.27Å; M424-T426 HydrophobicContact CG-CG2 4.18Å; M424-T426 HydrophobicContact SD-CG2 4.28Å; T426-D428 VanDerWaalsContact C-N 3.28Å; T426-D428 HydrophobicContact CG2-CB 3.96Å; T426-D428 PolarHBondContact OG1-N 3.41Å; T426-S433 WeakPolarHBondContact CG2-OG 3.44Å; T426-F642 PolarHBondContact N-O 3.22Å; T426-A643 CarbonylContact O-C 3.58Å; T426-A643 WeakPolarHBondContact O-CA 3.49Å; T426-R644 PolarHBondContact O-N 2.85Å; T426-R644 VanDerWaalsContact O-N 3.16Å; T426-F645 PolarHBondContact O-N 2.99Å; T426-F645 VanDerWaalsContact O-N 3.11Å | ||
| 427 | G | 80.8 | Confident | 80.1 | Confident | 30 Ų | 30 | 32.2 Ų | 32.2 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -79.1 | -11.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R644 | G427-R644 WeakPolarHBondContact O-CA 3.31Å; G427-R644 WeakPolarHBondContact O-CD 3.17Å |
| 428 | D | 77.3 | Confident | 81 | Confident | 49 Ų | 49 | 27 Ų | 27 | 26% | 0.262 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -69.9 | 166.2 | -175 | -82.4 | 18.6 | 0 | 0 | 0 | 114.2 | K301 T426 A643 R644 | K301-D428 WeakPolarHBondContact CD-OD2 3.41Å; K301-D428 VanDerWaalsContact CE-OD2 3.25Å; K301-D428 WeakPolarHBondContact CE-OD2 3.4Å; K301-D428 IonicContact NZ-OD2 2.72Å; K301-D428 PolarHBondContact NZ-OD2 3.08Å; T426-D428 VanDerWaalsContact C-N 3.28Å; T426-D428 HydrophobicContact CG2-CB 3.96Å; T426-D428 PolarHBondContact OG1-N 3.41Å; D428-A643 WeakPolarHBondContact O-CB 3.43Å; D428-R644 PolarHBondContact O-N 2.83Å |
| 429 | H | 82 | Confident | 81.4 | Confident | 50 Ų | 50 | 30.3 Ų | 30.3 | 23% | 0.231 | 16% | 0.164 | C | C | . | . | trans | -62 | 141.6 | 175.2 | -169 | -95.8 | 0 | 0 | 0 | 112.7 | L431 T432 S433 L985 | H429-L431 PolarHBondContact ND1-N 3.46Å; H429-L431 PolarHBondContact O-N 2.97Å; H429-T432 WeakPolarHBondContact O-CB 3.43Å; H429-T432 PolarHBondContact O-N 3.46Å; H429-T432 VanDerWaalsContact O-N 3.16Å; H429-S433 PolarHBondContact O-N 3.37Å; H429-S433 PolarHBondContact O-OG 3.4Å; H429-L985 PolarHBondContact NE2-O 3.12Å; H429-L985 VanDerWaalsContact NE2-O 3.13Å | ||
| 430 | I | 82.6 | Confident | 81.3 | Confident | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.3 | -41.3 | -170.8 | -167.4 | 168.6 | 0 | 0 | 0 | 114.2 | S433 I434 I451 A615 A643 L985 | I430-S433 PolarHBondContact O-N 3.1Å; I430-I434 HydrophobicContact CG1-CD1 3.98Å; I430-I434 VanDerWaalsContact O-CG1 3.28Å; I430-I434 WeakPolarHBondContact O-CG1 3.5Å; I430-I434 PolarHBondContact O-N 2.97Å; I430-I451 HydrophobicContact CD1-CG1 4.3Å; I430-I451 HydrophobicContact CD1-CG2 3.92Å; I430-A615 HydrophobicContact CD1-CB 4.04Å; I430-A615 HydrophobicContact CG1-CB 4.3Å; I430-A643 HydrophobicContact CB-CB 3.88Å; I430-A643 HydrophobicContact CG1-CB 4.06Å; I430-L985 HydrophobicContact CG2-CD2 4.32Å |
| 431 | L | 78.3 | Confident | 80.8 | Confident | 81 Ų | 81 | 28.5 Ų | 28.5 | 42% | 0.424 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 179.5 | -64.3 | 176.7 | 0 | 0 | 0 | 111.6 | H429 I434 S435 | H429-L431 PolarHBondContact ND1-N 3.46Å; H429-L431 PolarHBondContact O-N 2.97Å; L431-I434 PolarHBondContact O-N 3Å; L431-S435 PolarHBondContact O-N 2.87Å |
| 432 | T | 74.1 | Confident | 80.4 | Confident | 37 Ų | 37 | 27.4 Ų | 27.4 | 23% | 0.227 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 175 | -52.5 | 0 | 0 | 0 | 0 | 110.5 | W399 H429 I434 S435 V436 | W399-T432 HydrophobicContact CE3-CG2 3.88Å; W399-T432 HydrophobicContact CH2-CG2 3.91Å; W399-T432 HydrophobicContact CZ3-CG2 3.2Å; H429-T432 WeakPolarHBondContact O-CB 3.43Å; H429-T432 PolarHBondContact O-N 3.46Å; H429-T432 VanDerWaalsContact O-N 3.16Å; T432-I434 PolarHBondContact O-N 3.18Å; T432-S435 PolarHBondContact O-N 3.42Å; T432-V436 WeakPolarHBondContact O-CG2 3.39Å; T432-V436 PolarHBondContact O-N 3.12Å |
| 433 | S | 81.5 | Confident | 80 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 178 | -49.3 | 0 | 0 | 0 | 0 | 112.4 | M424 T426 H429 I430 A437 V641 A643 | M424-S433 VanDerWaalsContact SD-O 3.37Å; T426-S433 WeakPolarHBondContact CG2-OG 3.44Å; H429-S433 PolarHBondContact O-N 3.37Å; H429-S433 PolarHBondContact O-OG 3.4Å; I430-S433 PolarHBondContact O-N 3.1Å; S433-A437 WeakPolarHBondContact O-CB 3.38Å; S433-A437 PolarHBondContact O-N 2.91Å; S433-V641 VanDerWaalsContact CB-CG1 3.46Å; S433-A643 WeakPolarHBondContact OG-CB 3.44Å |
| 434 | I | 81.8 | Confident | 79.3 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.8 | -68.3 | 164.2 | 0 | 0 | 0 | 111.1 | I430 L431 T432 A437 R438 V449 I451 T509 A615 V641 | I430-I434 HydrophobicContact CG1-CD1 3.98Å; I430-I434 VanDerWaalsContact O-CG1 3.28Å; I430-I434 WeakPolarHBondContact O-CG1 3.5Å; I430-I434 PolarHBondContact O-N 2.97Å; L431-I434 PolarHBondContact O-N 3Å; T432-I434 PolarHBondContact O-N 3.18Å; I434-A437 PolarHBondContact O-N 3.33Å; I434-R438 PolarHBondContact O-N 3.37Å; I434-V449 HydrophobicContact CD1-CG1 4.08Å; I434-V449 HydrophobicContact CG1-CG1 4.29Å; I434-V449 HydrophobicContact CG2-CG1 4.36Å; I434-V449 HydrophobicContact CG2-CG2 4.41Å; I434-I451 HydrophobicContact CD1-CD1 4.39Å; I434-I451 HydrophobicContact CD1-CG1 4.31Å; I434-T509 HydrophobicContact CD1-CG2 3.96Å; I434-A615 HydrophobicContact CD1-CB 3.86Å; I434-A615 HydrophobicContact CG1-CB 4.14Å; I434-V641 HydrophobicContact CG1-CG1 4.35Å; I434-V641 HydrophobicContact CG1-CG2 4.45Å |
| 435 | S | 76.3 | Confident | 78.5 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | H400 L431 T432 A437 R438 N439 | H400-S435 PolarHBondContact CE1-OG 3.4Å; H400-S435 PolarHBondContact NE2-OG 3.47Å; L431-S435 PolarHBondContact O-N 2.87Å; T432-S435 PolarHBondContact O-N 3.42Å; S435-A437 VanDerWaalsContact C-N 3.31Å; S435-A437 PolarHBondContact O-N 3.05Å; S435-R438 PolarHBondContact O-N 2.62Å; S435-N439 PolarHBondContact O-N 3.09Å |
| 436 | V | 75.9 | Confident | 77.7 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 17% | 0.17 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | P302 M424 T432 N439 C440 | P302-V436 HydrophobicContact CG-CG1 3.9Å; M424-V436 HydrophobicContact CE-CB 3.98Å; M424-V436 HydrophobicContact CE-CG1 3.71Å; T432-V436 WeakPolarHBondContact O-CG2 3.39Å; T432-V436 PolarHBondContact O-N 3.12Å; V436-N439 PolarHBondContact O-N 3.2Å; V436-C440 WeakPolarHBondContact O-CB 3.29Å; V436-C440 PolarHBondContact O-N 3.11Å; V436-C440 PolarHBondContact O-SG 3.11Å |
| 437 | A | 79.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M424 S433 I434 S435 C440 E441 M442 I443 V641 | M424-A437 HydrophobicContact CE-CB 3.89Å; S433-A437 WeakPolarHBondContact O-CB 3.38Å; S433-A437 PolarHBondContact O-N 2.91Å; I434-A437 PolarHBondContact O-N 3.33Å; S435-A437 VanDerWaalsContact C-N 3.31Å; S435-A437 PolarHBondContact O-N 3.05Å; A437-C440 PolarHBondContact O-N 3.36Å; A437-E441 PolarHBondContact O-N 3.43Å; A437-M442 HydrophobicContact CB-CB 4.27Å; A437-M442 WeakPolarHBondContact O-CB 2.75Å; A437-M442 PolarHBondContact O-N 2.88Å; A437-I443 HydrophobicContact CB-CD1 3.83Å; A437-I443 HydrophobicContact CB-CG1 4.21Å; A437-I443 PolarHBondContact O-N 3.24Å; A437-V641 HydrophobicContact CB-CG2 3.83Å |
| 438 | R | 79.5 | Confident | 77.3 | Confident | 67 Ų | 67 | 51.5 Ų | 51.5 | 25% | 0.253 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.4 | -47.9 | 172.3 | -76.5 | -179.6 | 169.1 | 167.3 | -6.2 | 111.4 | I434 S435 C440 E441 I443 | I434-R438 PolarHBondContact O-N 3.37Å; S435-R438 PolarHBondContact O-N 2.62Å; R438-C440 PolarHBondContact O-N 3.38Å; R438-E441 PolarHBondContact O-N 3.4Å; R438-I443 HydrophobicContact CG-CB 4.15Å; R438-I443 HydrophobicContact CG-CG2 4.16Å |
| 439 | N | 70.7 | Confident | 77.5 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.1 | -30.1 | 177.1 | -69.9 | -13.3 | 0 | 0 | 0 | 112.7 | L405 H409 S435 V436 E441 | L405-N439 HydrophobicContact CD1-CB 4.26Å; L405-N439 HydrophobicContact CD2-CB 4.48Å; H409-N439 PolarHBondContact CD2-O 3.4Å; H409-N439 PolarHBondContact NE2-O 3.49Å; S435-N439 PolarHBondContact O-N 3.09Å; V436-N439 PolarHBondContact O-N 3.2Å; N439-E441 VanDerWaalsContact C-N 3.28Å; N439-E441 PolarHBondContact O-N 3.38Å |
| 440 | C | 71.3 | Confident | 77.6 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.081 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.6 | 176.5 | -65 | 0 | 0 | 0 | 0 | 113.5 | V412 V436 A437 R438 M442 | V412-C440 WeakPolarHBondContact CB-O 3.26Å; V412-C440 VanDerWaalsContact CG1-O 3.24Å; V412-C440 WeakPolarHBondContact CG1-O 3.27Å; V412-C440 HydrophobicContact CG2-CB 4.43Å; V436-C440 WeakPolarHBondContact O-CB 3.29Å; V436-C440 PolarHBondContact O-N 3.11Å; V436-C440 PolarHBondContact O-SG 3.11Å; A437-C440 PolarHBondContact O-N 3.36Å; R438-C440 PolarHBondContact O-N 3.38Å; C440-M442 HydrophobicContact CB-CG 3.98Å; C440-M442 HydrophobicContact CB-SD 4.24Å; C440-M442 PolarHBondContact O-N 3.45Å |
| 441 | E | 73.3 | Confident | 77.8 | Confident | 87 Ų | 87 | 46.8 Ų | 46.8 | 41% | 0.407 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 33.1 | -173.3 | -58.9 | 178.2 | -156 | 0 | 0 | 112.8 | L413 A437 R438 N439 I443 | L413-E441 WeakPolarHBondContact CD1-OE2 3.31Å; L413-E441 WeakPolarHBondContact CD2-OE2 3.15Å; L413-E441 WeakPolarHBondContact CG-OE2 3.45Å; A437-E441 PolarHBondContact O-N 3.43Å; R438-E441 PolarHBondContact O-N 3.4Å; N439-E441 VanDerWaalsContact C-N 3.28Å; N439-E441 PolarHBondContact O-N 3.38Å; E441-I443 VanDerWaalsContact C-N 3.32Å |
| 442 | M | 77.2 | Confident | 78.1 | Confident | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.069 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -79.7 | -24.2 | 169.1 | -61.7 | 177.8 | 56.9 | 0 | 0 | 111.6 | V412 P422 M424 A437 C440 T640 | V412-M442 HydrophobicContact CG1-CG 3.77Å; P422-M442 HydrophobicContact CB-CE 4.01Å; P422-M442 HydrophobicContact CB-CG 4.07Å; P422-M442 HydrophobicContact CG-CB 4.2Å; P422-M442 HydrophobicContact CG-CG 4.1Å; M424-M442 HydrophobicContact CB-CE 3.69Å; M424-M442 HydrophobicContact CB-SD 4.44Å; M424-M442 HydrophobicContact CE-SD 3.97Å; A437-M442 HydrophobicContact CB-CB 4.27Å; A437-M442 WeakPolarHBondContact O-CB 2.75Å; A437-M442 PolarHBondContact O-N 2.88Å; C440-M442 HydrophobicContact CB-CG 3.98Å; C440-M442 HydrophobicContact CB-SD 4.24Å; C440-M442 PolarHBondContact O-N 3.45Å; M442-T640 HydrophobicContact CB-CG2 4.45Å |
| 443 | I | 80.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -126.9 | 123.3 | 173.9 | -61.8 | 174.2 | 0 | 0 | 0 | 104.8 | A437 R438 E441 D447 V449 H613 T640 V641 | A437-I443 HydrophobicContact CB-CD1 3.83Å; A437-I443 HydrophobicContact CB-CG1 4.21Å; A437-I443 PolarHBondContact O-N 3.24Å; R438-I443 HydrophobicContact CG-CB 4.15Å; R438-I443 HydrophobicContact CG-CG2 4.16Å; E441-I443 VanDerWaalsContact C-N 3.32Å; I443-D447 HydrophobicContact CG2-CB 4.44Å; I443-V449 HydrophobicContact CD1-CG2 3.91Å; I443-V449 HydrophobicContact CG2-CG2 3.75Å; I443-H613 HydrophobicContact CD1-CB 4.46Å; I443-H613 HydrophobicContact CG1-CB 4.38Å; I443-T640 HydrophobicContact CD1-CG2 4.29Å; I443-T640 HydrophobicContact CG1-CG2 3.8Å; I443-V641 HydrophobicContact CD1-CG2 3.92Å |
| 444 | D | 76.8 | Confident | 78.7 | Confident | 92 Ų | 92 | 41.9 Ų | 41.9 | 49% | 0.492 | 21% | 0.205 | S | C | . | . | trans | -65.1 | 149.4 | 175.7 | -159.4 | -35.9 | 0 | 0 | 0 | 109.7 | L446 D447 | D444-L446 PolarHBondContact O-N 3.04Å; D444-L446 PolarHBondContact OD1-N 2.93Å; D444-D447 HydrophobicContact CB-CB 4.21Å; D444-D447 WeakPolarHBondContact CB-OD2 3.14Å; D444-D447 PolarHBondContact O-N 2.96Å; D444-D447 VanDerWaalsContact O-N 3.09Å | ||
| 445 | E | 72.4 | Confident | 78.8 | Confident | 173 Ų | 173 | 44.9 Ų | 44.9 | 81% | 0.808 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.7 | 178.9 | -66.8 | -175.2 | 172.6 | 0 | 0 | 111.9 | ||
| 446 | L | 74.3 | Confident | 78.9 | Confident | 141 Ų | 141 | 47.4 Ų | 47.4 | 74% | 0.738 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -16.7 | 178.4 | -61.6 | 175.8 | 0 | 0 | 0 | 113.8 | D444 | D444-L446 PolarHBondContact O-N 3.04Å; D444-L446 PolarHBondContact OD1-N 2.93Å |
| 447 | D | 76.8 | Confident | 78.9 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -84.1 | 136.7 | -175.3 | -72.8 | -23.6 | 0 | 0 | 0 | 111.4 | I443 D444 D611 H613 | I443-D447 HydrophobicContact CG2-CB 4.44Å; D444-D447 HydrophobicContact CB-CB 4.21Å; D444-D447 WeakPolarHBondContact CB-OD2 3.14Å; D444-D447 PolarHBondContact O-N 2.96Å; D444-D447 VanDerWaalsContact O-N 3.09Å; D447-D611 PolarHBondContact OD1-N 3.44Å; D447-H613 IonicContact OD2-CD2 2.78Å; D447-H613 IonicContact OD2-NE2 3.55Å; D447-H613 PolarHBondContact OD2-NE2 3.02Å |
| 448 | R | 81.6 | Confident | 78.4 | Confident | 113 Ų | 113 | 53.9 Ų | 53.9 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.5 | -178 | -64.7 | -175.7 | -176.8 | -175.6 | 0.6 | 110.9 | Y508 D611 F612 H613 | R448-Y508 HydrophobicContact CB-CD1 4.43Å; R448-Y508 HydrophobicContact CB-CE1 4.18Å; R448-D611 PolarHBondContact N-O 3.1Å; R448-F612 CarbonylContact O-C 3.53Å; R448-F612 VanDerWaalsContact O-CA 3.31Å; R448-F612 WeakPolarHBondContact O-CA 3.3Å; R448-H613 PolarHBondContact O-N 3.48Å |
| 449 | V | 82.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.6 | 174.3 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | I434 I443 T509 H613 A615 | I434-V449 HydrophobicContact CD1-CG1 4.08Å; I434-V449 HydrophobicContact CG1-CG1 4.29Å; I434-V449 HydrophobicContact CG2-CG1 4.36Å; I434-V449 HydrophobicContact CG2-CG2 4.41Å; I443-V449 HydrophobicContact CD1-CG2 3.91Å; I443-V449 HydrophobicContact CG2-CG2 3.75Å; V449-T509 HydrophobicContact CB-CG2 3.72Å; V449-T509 HydrophobicContact CG1-CG2 3.68Å; V449-T509 PolarHBondContact O-N 2.98Å; V449-T509 VanDerWaalsContact O-N 3.09Å; V449-T509 PolarHBondContact O-OG1 2.96Å; V449-H613 WeakPolarHBondContact CA-O 3.36Å; V449-A615 HydrophobicContact CG1-CB 4.11Å |
| 450 | V | 84.2 | Confident | 75.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 118.7 | -179.8 | 177 | 0 | 0 | 0 | 0 | 108.9 | F506 H507 Y508 H613 L614 A615 | V450-F506 HydrophobicContact CG1-CB 3.63Å; V450-F506 HydrophobicContact CG1-CD1 3.87Å; V450-F506 HydrophobicContact CG1-CG 4.25Å; V450-H507 CarbonylContact C-O 3.48Å; V450-H507 VanDerWaalsContact CA-O 3.3Å; V450-H507 WeakPolarHBondContact CA-O 3.48Å; V450-Y508 HydrophobicContact CG2-CD1 3.75Å; V450-Y508 HydrophobicContact CG2-CE1 3.56Å; V450-H613 PolarHBondContact N-O 2.9Å; V450-L614 HydrophobicContact CB-CD2 3.9Å; V450-L614 HydrophobicContact CG1-CD2 3.97Å; V450-L614 CarbonylContact O-C 3.01Å; V450-L614 WeakPolarHBondContact O-CA 3.13Å; V450-A615 PolarHBondContact O-N 3.26Å |
| 451 | I | 86.3 | Confident | 74 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.1 | 174.5 | -61.2 | 174.3 | 0 | 0 | 0 | 108.6 | I430 I434 T453 H507 T509 L512 A615 | I430-I451 HydrophobicContact CD1-CG1 4.3Å; I430-I451 HydrophobicContact CD1-CG2 3.92Å; I434-I451 HydrophobicContact CD1-CD1 4.39Å; I434-I451 HydrophobicContact CD1-CG1 4.31Å; I451-T453 HydrophobicContact CG2-CG2 4.48Å; I451-H507 PolarHBondContact N-O 2.94Å; I451-H507 PolarHBondContact O-N 3.1Å; I451-T509 HydrophobicContact CD1-CG2 3.87Å; I451-T509 HydrophobicContact CG1-CG2 3.81Å; I451-L512 HydrophobicContact CD1-CD1 4.01Å; I451-A615 WeakPolarHBondContact CA-O 3.39Å; I451-A615 HydrophobicContact CG1-CB 4.35Å |
| 452 | V | 84.2 | Confident | 72.2 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132.6 | 176.9 | -170 | 0 | 0 | 0 | 0 | 109.3 | V504 F506 L614 A615 L616 T620 I624 L635 | V452-V504 HydrophobicContact CG1-CG1 4.03Å; V452-F506 HydrophobicContact CB-CE1 4.47Å; V452-F506 HydrophobicContact CG1-CD1 4.37Å; V452-F506 HydrophobicContact CG1-CE1 4.01Å; V452-F506 HydrophobicContact CG1-CZ 4.41Å; V452-F506 HydrophobicContact CG2-CD1 3.81Å; V452-F506 HydrophobicContact CG2-CE1 3.73Å; V452-L614 HydrophobicContact CG2-CB 4.17Å; V452-L614 HydrophobicContact CG2-CD2 3.81Å; V452-L614 HydrophobicContact CG2-CG 4.41Å; V452-A615 PolarHBondContact N-O 2.93Å; V452-L616 HydrophobicContact CB-CD2 3.96Å; V452-L616 HydrophobicContact CB-CG 3.95Å; V452-L616 HydrophobicContact CG1-CD2 4.27Å; V452-L616 HydrophobicContact CG2-CD1 4.41Å; V452-L616 HydrophobicContact CG2-CD2 4.24Å; V452-L616 HydrophobicContact CG2-CG 4.02Å; V452-T620 WeakPolarHBondContact O-CG2 3.33Å; V452-I624 HydrophobicContact CG1-CD1 4.4Å; V452-L635 HydrophobicContact CG1-CD2 4.39Å; V452-L635 HydrophobicContact CG2-CD2 4.21Å |
| 453 | T | 85.4 | Confident | 70 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 5% | 0.049 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.4 | 172.4 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | I451 V504 Q505 H507 L985 | I451-T453 HydrophobicContact CG2-CG2 4.48Å; T453-V504 CarbonylContact O-C 3.51Å; T453-V504 WeakPolarHBondContact O-CA 3.49Å; T453-Q505 PolarHBondContact N-O 3.41Å; T453-Q505 PolarHBondContact O-N 2.78Å; T453-H507 PolarHBondContact OG1-CD2 3.27Å; T453-H507 PolarHBondContact OG1-NE2 3.29Å; T453-H507 VanDerWaalsContact OG1-NE2 3.15Å; T453-L985 HydrophobicContact CG2-CD1 4.32Å |
| 454 | A | 83.5 | Confident | 67.6 | Low | 8 Ų | 8 | 80.9 Ų | 80.9 | 7% | 0.066 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 145.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L503 V504 T620 V623 I624 | A454-L503 CarbonylContact C-O 3.38Å; A454-L503 WeakPolarHBondContact CA-O 3.49Å; A454-V504 HydrophobicContact CB-CG2 4.09Å; A454-T620 HydrophobicContact CB-CG2 3.89Å; A454-V623 HydrophobicContact CB-CB 4.37Å; A454-V623 HydrophobicContact CB-CG1 3.99Å; A454-I624 HydrophobicContact CB-CD1 4.09Å; A454-I624 HydrophobicContact CB-CG1 3.63Å |
| 455 | H | 82.2 | Confident | 65.4 | Low | 71 Ų | 71 | 84.9 Ų | 84.9 | 33% | 0.329 | 47% | 0.47 | S | S | . | . | trans | -117.7 | 140.9 | 176.5 | -59.2 | -38.6 | 0 | 0 | 0 | 110.8 | L503 Y628 | H455-L503 HydrophobicContact CB-CD2 4.45Å; H455-L503 PolarHBondContact N-O 3.04Å; H455-Y628 WeakPolarHBondContact O-CE2 3.5Å; H455-Y628 PolarHBondContact O-OH 3.18Å | ||
| 456 | P | 79.3 | Confident | 63.4 | Low | 72 Ų | 72 | 82.9 Ų | 82.9 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 145.1 | 173.2 | 27.2 | -33.3 | 0 | 0 | 0 | 109.5 | ||
| 457 | P | 75.5 | Confident | 61.3 | Low | 51 Ų | 51 | 83.1 Ų | 83.1 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -61 | 143.4 | 173.9 | 26.9 | -32.3 | 0 | 0 | 0 | 109.5 | C459 H627 | P457-C459 PolarHBondContact O-N 3.39Å; P457-H627 VanDerWaalsContact CD-CG 3.41Å; P457-H627 HydrophobicContact CG-CB 4.5Å |
| 458 | P | 69.5 | Low | 59.1 | Low | 113 Ų | 113 | 90.1 Ų | 90.1 | 73% | 0.734 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 125.9 | -180 | 21 | -30.7 | 0 | 0 | 0 | 110.7 | ||
| 459 | C | 52.2 | Low | 56.8 | Low | 115 Ų | 115 | 90.4 Ų | 90.4 | 78% | 0.777 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 132.2 | 179.2 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | P457 G461 | P457-C459 PolarHBondContact O-N 3.39Å; C459-G461 PolarHBondContact O-N 3.28Å |
| 460 | P | 39.1 | Very low | 54.4 | Low | 143 Ų | 143 | 95.9 Ų | 95.9 | 93% | 0.929 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 93.6 | 168.9 | 28.1 | -29.8 | 0 | 0 | 0 | 108.4 | ||
| 461 | G | 36.7 | Very low | 51.7 | Low | 62 Ų | 62 | 103.7 Ų | 103.7 | 64% | 0.639 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.2 | -5.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | C459 | C459-G461 PolarHBondContact O-N 3.28Š|
| 462 | N | 36.1 | Very low | 49 | Very low | 166 Ų | 166 | 109.6 Ų | 109.6 | 89% | 0.888 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -98.8 | 101.4 | 164.3 | -111.7 | -1.3 | 0 | 0 | 0 | 108.9 | N464 | N462-N464 PolarHBondContact O-N 3.36Å; N462-N464 VanDerWaalsContact O-N 3.15Å |
| 463 | E | 30.5 | Very low | 46.2 | Very low | 182 Ų | 182 | 113 Ų | 113 | 85% | 0.85 | 67% | 0.671 | S | S | * | * | trans | -54.4 | 111.3 | 177.4 | -64 | 179.4 | 153.5 | 0 | 0 | 111 | ||||
| 464 | N | 30.4 | Very low | 43.5 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 81% | 0.807 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 170.4 | 63.6 | 133.7 | -82.8 | -28 | 0 | 0 | 0 | 111.1 | N462 | N462-N464 PolarHBondContact O-N 3.36Å; N462-N464 VanDerWaalsContact O-N 3.15Å |
| 465 | Q | 30.7 | Very low | 40.8 | Very low | 176 Ų | 176 | 127 Ų | 127 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | 176.7 | 126.4 | 147.3 | -100.5 | 164.4 | 31.5 | 0 | 0 | 110.1 | ||||
| 466 | P | 30.3 | Very low | 38.1 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | -83.5 | 119 | 176.1 | 31.4 | -27.8 | 0 | 0 | 0 | 109.9 | ||||
| 467 | I | 31 | Very low | 35.5 | Very low | 145 Ų | 145 | 134 Ų | 134 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -108.5 | 120.1 | 165.2 | -61.6 | 177.9 | 0 | 0 | 0 | 108.6 | V469 | I467-V469 PolarHBondContact O-N 2.69Š| ||
| 468 | L | 30.3 | Very low | 33.3 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -66.4 | 115.6 | 176.3 | -134.3 | 90 | 0 | 0 | 0 | 109.6 | ||||
| 469 | V | 33.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 140 Ų | 140 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | trans | -119.5 | 129.9 | 164.3 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | I467 | I467-V469 PolarHBondContact O-N 2.69Š| ||
| 470 | P | 31.2 | Very low | 30.1 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | trans | -73.1 | 133.7 | -168.4 | -6.2 | 21.6 | 0 | 0 | 0 | 112.2 | T472 | P470-T472 PolarHBondContact O-N 2.77Š| ||
| 471 | N | 27.2 | Very low | 29.5 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -63.7 | 111 | 169.5 | -79.5 | -27.5 | 0 | 0 | 0 | 111.1 | ||||
| 472 | T | 30.8 | Very low | 29.1 | Very low | 129 Ų | 129 | 147 Ų | 147 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | -122.4 | 94.9 | 151.1 | 53.3 | 0 | 0 | 0 | 0 | 108.1 | P470 | P470-T472 PolarHBondContact O-N 2.77Š| ||
| 473 | G | 25.6 | Very low | 28.8 | Very low | 72 Ų | 72 | 147.1 Ų | 147.1 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | -66.4 | 133.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 474 | F | 27.6 | Very low | 28.9 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -130.5 | 104.4 | 155.2 | -104.4 | -85.7 | 0 | 0 | 0 | 107.6 | ||||
| 475 | S | 28.2 | Very low | 28.7 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -50.5 | 136 | 168.1 | 31.2 | 0 | 0 | 0 | 0 | 111.2 | E477 | S475-E477 PolarHBondContact O-N 3.33Š| ||
| 476 | S | 24.7 | Very low | 28.8 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -60.5 | 112.5 | 169 | 52.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 477 | E | 25.6 | Very low | 28.8 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 164.7 | 105.6 | 145.1 | -95.8 | 175.1 | -170.4 | 0 | 0 | 107.7 | S475 | S475-E477 PolarHBondContact O-N 3.33Š| ||
| 478 | T | 28.6 | Very low | 28.6 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | 160 | 123 | 139.8 | 43.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 479 | N | 27.3 | Very low | 28.6 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 33 | 111.4 | 152.4 | -84.5 | -36.6 | 0 | 0 | 0 | 120.6 | K481 | N479-K481 PolarHBondContact O-N 3.45Š| ||
| 480 | P | 27.4 | Very low | 28.4 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -86.5 | 77.1 | 169.5 | 35.3 | -30.4 | 0 | 0 | 0 | 110.6 | ||
| 481 | K | 25.9 | Very low | 28.4 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -151 | 72.5 | 164.5 | -73.9 | -169.9 | -177.2 | 169.3 | 0 | 110.5 | N479 | N479-K481 PolarHBondContact O-N 3.45Š| ||
| 482 | N | 27.8 | Very low | 28.7 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 161.4 | 90.1 | 153.2 | -87.7 | -15 | 0 | 0 | 0 | 109.1 | ||||
| 483 | I | 30.2 | Very low | 28.9 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | trans | -132.6 | 94.1 | 156.9 | -58.6 | -179.3 | 0 | 0 | 0 | 106.6 | ||||
| 484 | Q | 32.2 | Very low | 29.4 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -85.9 | 130.6 | 157.3 | -93.2 | 158.2 | -36.2 | 0 | 0 | 107.1 | ||||
| 485 | D | 27.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | 22.6 | 122.4 | 156.5 | -49.5 | -30.5 | 0 | 0 | 0 | 118.7 | ||||
| 486 | P | 32.1 | Very low | 30.4 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -117.7 | 91.3 | 139.4 | 25.3 | -9.5 | 0 | 0 | 0 | 109.7 | ||||
| 487 | I | 30.2 | Very low | 31.6 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | trans | -76.8 | 108.1 | 150.6 | -62 | 170.1 | 0 | 0 | 0 | 105.4 | ||||
| 488 | N | 27.7 | Very low | 32.7 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | 154.4 | 84.1 | 149.8 | -79.2 | -19.4 | 0 | 0 | 0 | 110.9 | ||||
| 489 | A | 30.2 | Very low | 33.8 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | trans | -152.3 | 90.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 490 | G | 28 | Very low | 35.2 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | -76 | 146.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 491 | D | 32.2 | Very low | 36.6 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 88% | 0.877 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 105.8 | -13.6 | 167.9 | -57.4 | -15.2 | 0 | 0 | 0 | 119.1 | ||
| 492 | N | 33.4 | Very low | 38.1 | Very low | 149 Ų | 149 | 119 Ų | 119 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -110 | 1.8 | 174.4 | -84.5 | -8.3 | 0 | 0 | 0 | 116.2 | ||
| 493 | K | 35.6 | Very low | 40 | Very low | 146 Ų | 146 | 113 Ų | 113 | 64% | 0.635 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.8 | -30.6 | -174.2 | -85.7 | -176.6 | 171.5 | -177.7 | 0 | 115.4 | F495 S496 D497 | K493-F495 PolarHBondContact O-N 2.94Å; K493-S496 PolarHBondContact O-OG 3.1Å; K493-S496 VanDerWaalsContact O-OG 3.07Å; K493-D497 VanDerWaalsContact O-CG 3.27Å; K493-D497 PolarHBondContact O-N 2.69Å |
| 494 | N | 35.8 | Very low | 41.9 | Very low | 135 Ų | 135 | 105.3 Ų | 105.3 | 72% | 0.722 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.1 | -31.4 | -171.4 | -69.8 | 1.6 | 0 | 0 | 0 | 113.1 | D498 | N494-D498 PolarHBondContact O-N 3.36Å |
| 495 | F | 31.6 | Very low | 43.8 | Very low | 186 Ų | 186 | 99.3 Ų | 99.3 | 82% | 0.816 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -79.8 | -29.7 | -176.3 | -139.7 | -90.4 | 0 | 0 | 0 | 113.1 | K493 | K493-F495 PolarHBondContact O-N 2.94Å |
| 496 | S | 45.4 | Very low | 45.8 | Very low | 54 Ų | 54 | 93.3 Ų | 93.3 | 38% | 0.378 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.2 | -38.6 | 174.4 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | K493 I500 | K493-S496 PolarHBondContact O-OG 3.1Å; K493-S496 VanDerWaalsContact O-OG 3.07Å; S496-I500 WeakPolarHBondContact O-CB 3.12Å; S496-I500 VanDerWaalsContact O-CD1 3.31Å; S496-I500 WeakPolarHBondContact O-CD1 3.44Å; S496-I500 WeakPolarHBondContact O-CG1 3.29Å; S496-I500 PolarHBondContact O-N 3.46Å; S496-I500 VanDerWaalsContact O-N 3.08Å |
| 497 | D | 49.6 | Very low | 47.7 | Very low | 77 Ų | 77 | 89.8 Ų | 89.8 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | -175.4 | -71 | -8.8 | 0 | 0 | 0 | 110.8 | K493 L499 I500 N501 | K493-D497 VanDerWaalsContact O-CG 3.27Å; K493-D497 PolarHBondContact O-N 2.69Å; D497-L499 PolarHBondContact O-N 2.83Å; D497-I500 PolarHBondContact O-N 3.23Å; D497-N501 VanDerWaalsContact O-CB 3.32Å; D497-N501 WeakPolarHBondContact O-CB 3.42Å; D497-N501 PolarHBondContact O-N 3.36Å; D497-N501 PolarHBondContact O-ND2 3.12Å; D497-N501 VanDerWaalsContact O-ND2 3.08Å; D497-N501 PolarHBondContact O-OD1 3.12Å |
| 498 | D | 48.7 | Very low | 49.4 | Very low | 116 Ų | 116 | 85.8 Ų | 85.8 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66 | -39.4 | 178.4 | -74.9 | -20.4 | 0 | 0 | 0 | 113.4 | N494 N501 S502 | N494-D498 PolarHBondContact O-N 3.36Å; D498-N501 PolarHBondContact O-N 3.24Å; D498-S502 PolarHBondContact O-N 2.74Å; D498-S502 VanDerWaalsContact O-N 3.11Å |
| 499 | L | 51.2 | Low | 51.2 | Low | 115 Ų | 115 | 79 Ų | 79 | 60% | 0.602 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 176.2 | -162.6 | 78.8 | 0 | 0 | 0 | 110.9 | D497 N501 S502 L503 | D497-L499 PolarHBondContact O-N 2.83Å; L499-N501 VanDerWaalsContact C-N 3.35Å; L499-S502 PolarHBondContact O-N 2.64Å; L499-S502 PolarHBondContact O-OG 3.12Å; L499-L503 WeakPolarHBondContact O-CG 3.34Å; L499-L503 PolarHBondContact O-N 3.38Å |
| 500 | I | 55.9 | Low | 52.7 | Low | 53 Ų | 53 | 79.5 Ų | 79.5 | 27% | 0.272 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.5 | -68.3 | 166.1 | 0 | 0 | 0 | 110.9 | S496 D497 S502 L503 V504 W630 | S496-I500 WeakPolarHBondContact O-CB 3.12Å; S496-I500 VanDerWaalsContact O-CD1 3.31Å; S496-I500 WeakPolarHBondContact O-CD1 3.44Å; S496-I500 WeakPolarHBondContact O-CG1 3.29Å; S496-I500 PolarHBondContact O-N 3.46Å; S496-I500 VanDerWaalsContact O-N 3.08Å; D497-I500 PolarHBondContact O-N 3.23Å; I500-S502 PolarHBondContact O-N 3.24Å; I500-L503 PolarHBondContact O-N 3.24Å; I500-V504 PolarHBondContact O-N 3.06Å; I500-W630 HydrophobicContact CG2-CZ2 4.3Å |
| 501 | N | 56.9 | Low | 53.7 | Low | 47 Ų | 47 | 78.8 Ų | 78.8 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.9 | -27.4 | 177 | -65.4 | -16.6 | 0 | 0 | 0 | 112.3 | D497 D498 L499 P971 | D497-N501 VanDerWaalsContact O-CB 3.32Å; D497-N501 WeakPolarHBondContact O-CB 3.42Å; D497-N501 PolarHBondContact O-N 3.36Å; D497-N501 PolarHBondContact O-ND2 3.12Å; D497-N501 VanDerWaalsContact O-ND2 3.08Å; D497-N501 PolarHBondContact O-OD1 3.12Å; D498-N501 PolarHBondContact O-N 3.24Å; L499-N501 VanDerWaalsContact C-N 3.35Å; N501-P971 HydrophobicContact CB-CB 3.71Å; N501-P971 HydrophobicContact CB-CG 3.99Å; N501-P971 WeakPolarHBondContact OD1-CB 3.41Å; N501-P971 WeakPolarHBondContact OD1-CG 3.45Å |
| 502 | S | 58.6 | Low | 54.6 | Low | 55 Ų | 55 | 73.5 Ų | 73.5 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -74.9 | -30 | 173.5 | 79.1 | 0 | 0 | 0 | 0 | 113.2 | D498 L499 I500 Q505 | D498-S502 PolarHBondContact O-N 2.74Å; D498-S502 VanDerWaalsContact O-N 3.11Å; L499-S502 PolarHBondContact O-N 2.64Å; L499-S502 PolarHBondContact O-OG 3.12Å; I500-S502 PolarHBondContact O-N 3.24Å; S502-Q505 PolarHBondContact O-NE2 3.33Å; S502-Q505 VanDerWaalsContact O-NE2 3.13Å |
| 503 | L | 68 | Low | 55.1 | Low | 26 Ų | 26 | 73.5 Ų | 73.5 | 14% | 0.136 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -88.3 | -27.9 | -174.7 | -68.3 | 165.9 | 0 | 0 | 0 | 113.2 | A454 H455 L499 I500 Y628 | A454-L503 CarbonylContact C-O 3.38Å; A454-L503 WeakPolarHBondContact CA-O 3.49Å; H455-L503 HydrophobicContact CB-CD2 4.45Å; H455-L503 PolarHBondContact N-O 3.04Å; L499-L503 WeakPolarHBondContact O-CG 3.34Å; L499-L503 PolarHBondContact O-N 3.38Å; I500-L503 PolarHBondContact O-N 3.24Å; L503-Y628 WeakPolarHBondContact CB-OH 3.44Å; L503-Y628 WeakPolarHBondContact CD1-OH 3.46Å |
| 504 | V | 69.1 | Low | 55.1 | Low | 8 Ų | 8 | 72.3 Ų | 72.3 | 5% | 0.048 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 110 | 172.8 | -176.3 | 0 | 0 | 0 | 0 | 109 | V452 T453 A454 I500 F506 Y628 L631 | V452-V504 HydrophobicContact CG1-CG1 4.03Å; T453-V504 CarbonylContact O-C 3.51Å; T453-V504 WeakPolarHBondContact O-CA 3.49Å; A454-V504 HydrophobicContact CB-CG2 4.09Å; I500-V504 PolarHBondContact O-N 3.06Å; V504-F506 HydrophobicContact CG1-CE2 4.03Å; V504-F506 HydrophobicContact CG1-CZ 4.16Å; V504-Y628 HydrophobicContact CG2-CD2 3.99Å; V504-Y628 HydrophobicContact CG2-CE2 4.08Å; V504-Y628 HydrophobicContact CG2-CG 4.31Å; V504-L631 HydrophobicContact CG1-CD2 4.02Å |
| 505 | Q | 72.1 | Confident | 54.9 | Low | 40 Ų | 40 | 69.4 Ų | 69.4 | 19% | 0.187 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 150.3 | -174.4 | -56.6 | 173.1 | 3.6 | 0 | 0 | 111.2 | T453 S502 H507 L973 | T453-Q505 PolarHBondContact N-O 3.41Å; T453-Q505 PolarHBondContact O-N 2.78Å; S502-Q505 PolarHBondContact O-NE2 3.33Å; S502-Q505 VanDerWaalsContact O-NE2 3.13Å; Q505-H507 PolarHBondContact OE1-CE1 3.24Å; Q505-H507 PolarHBondContact OE1-NE2 3.13Å; Q505-L973 HydrophobicContact CG-CD1 4.06Å |
| 506 | F | 70.4 | Confident | 55.1 | Low | 14 Ų | 14 | 66 Ų | 66 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 113.4 | -177.1 | -67.1 | -89.7 | 0 | 0 | 0 | 109.1 | V450 V452 V504 L614 L635 L970 L972 | V450-F506 HydrophobicContact CG1-CB 3.63Å; V450-F506 HydrophobicContact CG1-CD1 3.87Å; V450-F506 HydrophobicContact CG1-CG 4.25Å; V452-F506 HydrophobicContact CB-CE1 4.47Å; V452-F506 HydrophobicContact CG1-CD1 4.37Å; V452-F506 HydrophobicContact CG1-CE1 4.01Å; V452-F506 HydrophobicContact CG1-CZ 4.41Å; V452-F506 HydrophobicContact CG2-CD1 3.81Å; V452-F506 HydrophobicContact CG2-CE1 3.73Å; V504-F506 HydrophobicContact CG1-CE2 4.03Å; V504-F506 HydrophobicContact CG1-CZ 4.16Å; F506-L614 HydrophobicContact CD1-CD2 4.06Å; F506-L614 HydrophobicContact CE1-CD2 4.14Å; F506-L635 HydrophobicContact CE1-CD2 4.48Å; F506-L970 HydrophobicContact CB-CD2 4.27Å; F506-L970 HydrophobicContact CD1-CD2 3.53Å; F506-L970 HydrophobicContact CD2-CD2 4.34Å; F506-L970 HydrophobicContact CE1-CD2 3.87Å; F506-L970 HydrophobicContact CG-CD2 3.79Å; F506-L970 HydrophobicContact CZ-CD2 4.41Å; F506-L972 HydrophobicContact CB-CD2 4.5Å |
| 507 | H | 71.2 | Confident | 54.8 | Low | 51 Ų | 51 | 68.5 Ų | 68.5 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.8 | -173.5 | -59.5 | -83.6 | 0 | 0 | 0 | 111 | V450 I451 T453 Q505 | V450-H507 CarbonylContact C-O 3.48Å; V450-H507 VanDerWaalsContact CA-O 3.3Å; V450-H507 WeakPolarHBondContact CA-O 3.48Å; I451-H507 PolarHBondContact N-O 2.94Å; I451-H507 PolarHBondContact O-N 3.1Å; T453-H507 PolarHBondContact OG1-CD2 3.27Å; T453-H507 PolarHBondContact OG1-NE2 3.29Å; T453-H507 VanDerWaalsContact OG1-NE2 3.15Å; Q505-H507 PolarHBondContact OE1-CE1 3.24Å; Q505-H507 PolarHBondContact OE1-NE2 3.13Å |
| 508 | Y | 67 | Low | 54.3 | Low | 57 Ų | 57 | 71 Ų | 71 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 137.5 | 173.6 | -75.5 | -70.6 | 0 | 0 | 0 | 111.4 | R448 V450 E510 D511 L972 | R448-Y508 HydrophobicContact CB-CD1 4.43Å; R448-Y508 HydrophobicContact CB-CE1 4.18Å; V450-Y508 HydrophobicContact CG2-CD1 3.75Å; V450-Y508 HydrophobicContact CG2-CE1 3.56Å; Y508-E510 VanDerWaalsContact C-N 3.32Å; Y508-E510 PolarHBondContact O-N 3.31Å; Y508-D511 PolarHBondContact O-N 3.41Å; Y508-L972 HydrophobicContact CD2-CD2 4.46Å; Y508-L972 HydrophobicContact CE2-CD1 4.12Å; Y508-L972 HydrophobicContact CE2-CD2 3.61Å; Y508-L972 HydrophobicContact CE2-CG 4.41Å; Y508-L972 WeakPolarHBondContact OH-CD1 3.41Å |
| 509 | T | 65.5 | Low | 53.7 | Low | 14 Ų | 14 | 66.7 Ų | 66.7 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -66.1 | -33.6 | 176.7 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | I434 V449 I451 D511 L512 | I434-T509 HydrophobicContact CD1-CG2 3.96Å; V449-T509 HydrophobicContact CB-CG2 3.72Å; V449-T509 HydrophobicContact CG1-CG2 3.68Å; V449-T509 PolarHBondContact O-N 2.98Å; V449-T509 VanDerWaalsContact O-N 3.09Å; V449-T509 PolarHBondContact O-OG1 2.96Å; I451-T509 HydrophobicContact CD1-CG2 3.87Å; I451-T509 HydrophobicContact CG1-CG2 3.81Å; T509-D511 PolarHBondContact O-N 3.16Å; T509-L512 WeakPolarHBondContact O-CB 3.38Å; T509-L512 PolarHBondContact O-N 3.24Å; T509-L512 VanDerWaalsContact O-N 3.11Å |
| 510 | E | 60 | Low | 53 | Low | 94 Ų | 94 | 64.9 Ų | 64.9 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -66 | -25.6 | -178.2 | -71.2 | 162.9 | -153.5 | 0 | 0 | 112.8 | Y508 L512 | Y508-E510 VanDerWaalsContact C-N 3.32Å; Y508-E510 PolarHBondContact O-N 3.31Å; E510-L512 VanDerWaalsContact C-N 3.29Å; E510-L512 PolarHBondContact O-N 2.84Å |
| 511 | D | 49.9 | Very low | 52.3 | Low | 53 Ų | 53 | 66.4 Ų | 66.4 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -76.6 | -18 | 176.7 | -65.7 | -26.9 | 0 | 0 | 0 | 112.3 | Y508 T509 Y975 | Y508-D511 PolarHBondContact O-N 3.41Å; T509-D511 PolarHBondContact O-N 3.16Å; D511-Y975 PolarHBondContact OD1-OH 2.83Å |
| 512 | L | 50.4 | Low | 51.4 | Low | 53 Ų | 53 | 68 Ų | 68 | 28% | 0.277 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -80.1 | -15.8 | 177.3 | -78.8 | 128.2 | 0 | 0 | 0 | 113.8 | I451 T509 E510 L981 F986 | I451-L512 HydrophobicContact CD1-CD1 4.01Å; T509-L512 WeakPolarHBondContact O-CB 3.38Å; T509-L512 PolarHBondContact O-N 3.24Å; T509-L512 VanDerWaalsContact O-N 3.11Å; E510-L512 VanDerWaalsContact C-N 3.29Å; E510-L512 PolarHBondContact O-N 2.84Å; L512-L981 HydrophobicContact CD2-CD1 3.94Å; L512-F986 HydrophobicContact CD2-CZ 3.89Å |
| 513 | Q | 44.4 | Very low | 50.6 | Low | 150 Ų | 150 | 69.6 Ų | 69.6 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -95.1 | -5.3 | -175.6 | -74.7 | -175.5 | -26.8 | 0 | 0 | 114.6 | ||
| 514 | K | 36.3 | Very low | 49.4 | Very low | 120 Ų | 120 | 72.7 Ų | 72.7 | 52% | 0.522 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -83.1 | 129 | 176 | -70 | -176.9 | -178 | 173.1 | 0 | 110.7 | V516 V519 | K514-V516 PolarHBondContact O-N 3.38Å; K514-V519 HydrophobicContact CB-CG2 4.32Å |
| 515 | P | 31.9 | Very low | 48.1 | Very low | 74 Ų | 74 | 78.8 Ų | 78.8 | 48% | 0.481 | 41% | 0.413 | S | S | . | . | trans | -60.6 | 137.4 | 175.5 | 24.7 | -31.3 | 0 | 0 | 0 | 109.9 | T517 E518 | P515-T517 PolarHBondContact O-N 3.48Å; P515-E518 PolarHBondContact O-N 3.44Å | ||
| 516 | V | 35.7 | Very low | 46.4 | Very low | 115 Ų | 115 | 82 Ų | 82 | 70% | 0.697 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -52.6 | -22.5 | -175.2 | 176.5 | 0 | 0 | 0 | 0 | 113 | K514 T520 | K514-V516 PolarHBondContact O-N 3.38Å; V516-T520 PolarHBondContact O-OG1 3.04Å |
| 517 | T | 38.2 | Very low | 45 | Very low | 106 Ų | 106 | 88.9 Ų | 88.9 | 65% | 0.65 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -75 | -29.3 | -175.6 | 47.6 | 0 | 0 | 0 | 0 | 115.3 | P515 | P515-T517 PolarHBondContact O-N 3.48Å |
| 518 | E | 39.6 | Very low | 43.5 | Very low | 129 Ų | 129 | 94.7 Ų | 94.7 | 60% | 0.603 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -82.3 | -22.6 | -179.4 | -80.8 | -173.3 | 156.4 | 0 | 0 | 113.6 | P515 T521 T522 | P515-E518 PolarHBondContact O-N 3.44Å; E518-T521 PolarHBondContact O-OG1 3.09Å; E518-T522 PolarHBondContact O-OG1 3.29Å |
| 519 | V | 35.4 | Very low | 42.2 | Very low | 27 Ų | 27 | 97.7 Ų | 97.7 | 16% | 0.164 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -84.5 | -21.7 | -174.4 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | K514 T522 N523 Y975 | K514-V519 HydrophobicContact CB-CG2 4.32Å; V519-T522 PolarHBondContact O-OG1 3.47Å; V519-N523 PolarHBondContact O-ND2 2.89Å; V519-N523 VanDerWaalsContact O-ND2 3.09Å; V519-Y975 HydrophobicContact CG1-CE1 4Å |
| 520 | T | 37.3 | Very low | 41.2 | Very low | 76 Ų | 76 | 102.9 Ų | 102.9 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -78.8 | -34.5 | -179.6 | -19.9 | 0 | 0 | 0 | 0 | 112.7 | V516 I524 | V516-T520 PolarHBondContact O-OG1 3.04Å; T520-I524 WeakPolarHBondContact O-CD1 3.31Å; T520-I524 WeakPolarHBondContact O-CG1 3.42Å; T520-I524 PolarHBondContact O-N 3.26Å |
| 521 | T | 39.8 | Very low | 40.4 | Very low | 86 Ų | 86 | 103.8 Ų | 103.8 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -74.5 | -39.6 | -177.4 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | E518 I524 Q525 | E518-T521 PolarHBondContact O-OG1 3.09Å; T521-I524 PolarHBondContact O-N 3.42Å; T521-Q525 PolarHBondContact O-N 3.37Å |
| 522 | T | 39 | Very low | 39.9 | Very low | 81 Ų | 81 | 110.3 Ų | 110.3 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.2 | -37.2 | 178.8 | 44.6 | 0 | 0 | 0 | 0 | 112.7 | E518 V519 Q525 L526 | E518-T522 PolarHBondContact O-OG1 3.29Å; V519-T522 PolarHBondContact O-OG1 3.47Å; T522-Q525 PolarHBondContact O-N 3.17Å; T522-L526 PolarHBondContact O-N 2.75Å; T522-L526 VanDerWaalsContact O-N 3.13Å |
| 523 | N | 41.1 | Very low | 39.1 | Very low | 87 Ų | 87 | 112.5 Ų | 112.5 | 47% | 0.465 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.5 | -31.3 | 178.1 | -85.4 | -50.2 | 0 | 0 | 0 | 114 | V519 K527 | V519-N523 PolarHBondContact O-ND2 2.89Å; V519-N523 VanDerWaalsContact O-ND2 3.09Å; N523-K527 WeakPolarHBondContact O-CB 3.49Å; N523-K527 PolarHBondContact O-N 3.45Å; N523-K527 VanDerWaalsContact O-N 3.1Å |
| 524 | I | 44.3 | Very low | 38.5 | Very low | 92 Ų | 92 | 112.5 Ų | 112.5 | 47% | 0.472 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71 | -33.5 | 177.6 | -67.2 | 168.4 | 0 | 0 | 0 | 111.3 | T520 T521 R528 | T520-I524 WeakPolarHBondContact O-CD1 3.31Å; T520-I524 WeakPolarHBondContact O-CG1 3.42Å; T520-I524 PolarHBondContact O-N 3.26Å; T521-I524 PolarHBondContact O-N 3.42Å; I524-R528 PolarHBondContact O-N 3.17Å |
| 525 | Q | 41.2 | Very low | 38.1 | Very low | 135 Ų | 135 | 114.7 Ų | 114.7 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.9 | -36.7 | 175 | -89.8 | 164.5 | -39.4 | 0 | 0 | 112.7 | T521 T522 R528 N529 | T521-Q525 PolarHBondContact O-N 3.37Å; T522-Q525 PolarHBondContact O-N 3.17Å; Q525-R528 PolarHBondContact O-N 3.04Å; Q525-N529 PolarHBondContact O-N 3.2Å |
| 526 | L | 37.1 | Very low | 38.2 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 57% | 0.565 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.4 | -39.5 | 179.9 | -129.3 | 119.8 | 0 | 0 | 0 | 112.5 | T522 R528 N529 L530 | T522-L526 PolarHBondContact O-N 2.75Å; T522-L526 VanDerWaalsContact O-N 3.13Å; L526-R528 VanDerWaalsContact C-N 3.32Å; L526-R528 PolarHBondContact O-N 2.95Å; L526-N529 PolarHBondContact O-N 3.5Å; L526-L530 HydrophobicContact CD2-CD1 3.81Å; L526-L530 PolarHBondContact O-N 3Å |
| 527 | K | 39.5 | Very low | 37.7 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68 | -29.2 | 175.8 | -123.6 | 171.7 | -176.2 | 169 | 0 | 113 | N523 T531 | N523-K527 WeakPolarHBondContact O-CB 3.49Å; N523-K527 PolarHBondContact O-N 3.45Å; N523-K527 VanDerWaalsContact O-N 3.1Å; K527-T531 PolarHBondContact O-OG1 2.85Å |
| 528 | R | 39.5 | Very low | 37.3 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 65% | 0.653 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.7 | -28.9 | 173.5 | -90.9 | -175.9 | 169.1 | 128.8 | -2.9 | 113.5 | I524 Q525 L526 T531 | I524-R528 PolarHBondContact O-N 3.17Å; Q525-R528 PolarHBondContact O-N 3.04Å; L526-R528 VanDerWaalsContact C-N 3.32Å; L526-R528 PolarHBondContact O-N 2.95Å; R528-T531 PolarHBondContact O-OG1 3.39Å |
| 529 | N | 41.3 | Very low | 36.9 | Very low | 120 Ų | 120 | 126 Ų | 126 | 64% | 0.642 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -84 | -31.7 | 178.1 | -73.2 | -15.3 | 0 | 0 | 0 | 112.6 | Q525 L526 T531 | Q525-N529 PolarHBondContact O-N 3.2Å; L526-N529 PolarHBondContact O-N 3.5Å; N529-T531 VanDerWaalsContact C-N 3.31Å; N529-T531 PolarHBondContact O-N 3.27Å |
| 530 | L | 43.7 | Very low | 36.3 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -76 | -13 | 177.5 | -78.3 | 161.9 | 0 | 0 | 0 | 114.5 | L526 | L526-L530 HydrophobicContact CD2-CD1 3.81Å; L526-L530 PolarHBondContact O-N 3Å |
| 531 | T | 42.9 | Very low | 36 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.693 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 2 | 179 | 40.9 | 0 | 0 | 0 | 0 | 114 | K527 R528 N529 | K527-T531 PolarHBondContact O-OG1 2.85Å; R528-T531 PolarHBondContact O-OG1 3.39Å; N529-T531 VanDerWaalsContact C-N 3.31Å; N529-T531 PolarHBondContact O-N 3.27Å |
| 532 | K | 39.1 | Very low | 35.6 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -113.6 | 0.8 | -176.2 | -95.8 | -177.4 | 175.4 | 179.8 | 0 | 116.2 | ||
| 533 | T | 33.8 | Very low | 35.1 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -130 | 133.4 | -177 | 41.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 534 | D | 31.2 | Very low | 34.4 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | trans | 88.6 | 64.9 | 165.6 | -59.5 | -19 | 0 | 0 | 0 | 119.3 | ||||
| 535 | N | 29.4 | Very low | 33.7 | Very low | 165 Ų | 165 | 151 Ų | 151 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | trans | -84.1 | 99.9 | 130.6 | -78.8 | -30.5 | 0 | 0 | 0 | 108.9 | ||||
| 536 | R | 32.3 | Very low | 33.1 | Very low | 243 Ų | 243 | 155.4 Ų | 155.4 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | -165.5 | 123 | 151.8 | -111.2 | 166.5 | -174.7 | -177.8 | 1.7 | 112 | ||||
| 537 | E | 26.1 | Very low | 32.5 | Very low | 178 Ų | 178 | 158.8 Ų | 158.8 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -60.1 | 151.8 | 177.3 | -60 | 162.6 | 139.5 | 0 | 0 | 112.6 | ||||
| 538 | T | 30.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 160.1 Ų | 160.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 167.8 | 124.1 | 113.1 | 39.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 539 | S | 30.7 | Very low | 31.6 | Very low | 113 Ų | 113 | 158 Ų | 158 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 52.4 | 120.8 | 139.6 | 63 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 540 | K | 23.5 | Very low | 31.1 | Very low | 199 Ų | 199 | 163.2 Ų | 163.2 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -61.5 | 166.9 | 158.8 | -61.6 | 170.5 | 170.4 | 171.6 | 0 | 112.5 | ||||
| 541 | P | 29.4 | Very low | 30.3 | Very low | 128 Ų | 128 | 167.1 Ų | 167.1 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | -145.2 | 161.3 | 91 | 33.5 | -14.5 | 0 | 0 | 0 | 116 | |||||
| 542 | S | 31.3 | Very low | 29.7 | Very low | 103 Ų | 103 | 165.5 Ų | 165.5 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -80.5 | -179.3 | 176.4 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 543 | F | 28.6 | Very low | 29.1 | Very low | 178 Ų | 178 | 166.8 Ų | 166.8 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | trans | 119 | 107.4 | 144.1 | -123.6 | -105.5 | 0 | 0 | 0 | 118.4 | ||||
| 544 | F | 27.1 | Very low | 29.1 | Very low | 174 Ų | 174 | 165.2 Ų | 165.2 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | 52.6 | 111.1 | 138.1 | -97.5 | -95.4 | 0 | 0 | 0 | 122.3 | ||||
| 545 | K | 29.7 | Very low | 29.1 | Very low | 191 Ų | 191 | 169.1 Ų | 169.1 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | 157.6 | 135.1 | 140.5 | -96.5 | 165.3 | 175 | 167 | 0 | 106.3 | ||||
| 546 | R | 28.4 | Very low | 28.9 | Very low | 227 Ų | 227 | 168.3 Ų | 168.3 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | cis | -175.4 | 127.2 | 45.2 | -138.8 | 169.3 | -176.6 | -177.5 | 0.5 | 108.9 | ||||
| 547 | M | 25.4 | Very low | 28.8 | Very low | 179 Ų | 179 | 165.4 Ų | 165.4 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -91.8 | 152.8 | 158.9 | -170.7 | -171.5 | -121.4 | 0 | 0 | 108.2 | ||||
| 548 | K | 25.9 | Very low | 29 | Very low | 187 Ų | 187 | 161.3 Ų | 161.3 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | 77.1 | 106.3 | 173.4 | -83.6 | 177.1 | 172.3 | 172.6 | 0 | 118.6 | ||||
| 549 | T | 34.2 | Very low | 28.7 | Very low | 128 Ų | 128 | 160.1 Ų | 160.1 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 176.3 | 142.2 | 131.3 | 39.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 550 | R | 29.8 | Very low | 28.8 | Very low | 230 Ų | 230 | 159.2 Ų | 159.2 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | cis | -168.9 | 143.6 | 4.1 | -119.7 | 171.9 | -178 | 170.3 | -0.9 | 105.6 | ||||
| 551 | F | 28.1 | Very low | 29 | Very low | 205 Ų | 205 | 158.9 Ų | 158.9 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | trans | -47.4 | 136.2 | 157.4 | -95 | -107.6 | 0 | 0 | 0 | 111.1 | ||||
| 552 | G | 30.5 | Very low | 29 | Very low | 79 Ų | 79 | 158.7 Ų | 158.7 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -149.2 | 94.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 553 | F | 26.5 | Very low | 28.8 | Very low | 216 Ų | 216 | 160.9 Ų | 160.9 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | -87 | 126 | 168.7 | -124.8 | -94.9 | 0 | 0 | 0 | 108.2 | ||||
| 554 | G | 33.6 | Very low | 28.7 | Very low | 67 Ų | 67 | 158.7 Ų | 158.7 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -166.3 | 99.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 555 | R | 30.4 | Very low | 28.7 | Very low | 233 Ų | 233 | 154.5 Ų | 154.5 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | 47.5 | 106.9 | 104.8 | -90.8 | -171.6 | 164.1 | 172.1 | -4.1 | 113.3 | |||||
| 556 | L | 25.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 151 Ų | 151 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 87 | 139 | 82.1 | -112.7 | 150.5 | 0 | 0 | 0 | 112.6 | |||||
| 557 | Q | 30.4 | Very low | 28.6 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 75.6 | 145.7 | 173.5 | -73.6 | 177.6 | -58.9 | 0 | 0 | 115.7 | ||||
| 558 | S | 28.9 | Very low | 28.7 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | cis | -175.1 | 144.1 | -10.2 | 174 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 559 | S | 26.1 | Very low | 28.9 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 24.7 | 127.5 | 150.5 | -59.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 560 | S | 32 | Very low | 28.7 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | 171 | 135.3 | 98.6 | -79.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 561 | K | 27.4 | Very low | 28.7 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | 57.2 | 125.8 | 138.7 | -57.7 | 169.5 | -177.1 | 178.5 | 0 | 115.2 | ||||
| 562 | V | 28.9 | Very low | 28.8 | Very low | 124 Ų | 124 | 129 Ų | 129 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | -173.8 | 130.5 | 92.5 | 147.1 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 563 | L | 26.9 | Very low | 28.9 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 45.2 | 114.2 | 151.4 | -76.6 | 102.2 | 0 | 0 | 0 | 122.2 | ||||
| 564 | T | 26.4 | Very low | 29.1 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | trans | -30.6 | 129.5 | 134.8 | 43.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 565 | A | 27.4 | Very low | 28.9 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -145.1 | 106.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 566 | S | 26.8 | Very low | 29 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -71.2 | 118.1 | 161.9 | -170.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 567 | L | 28.7 | Very low | 29.4 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | trans | -129.4 | 99.2 | 168.3 | -117.1 | 132.8 | 0 | 0 | 0 | 107.4 | V572 | L567-V572 HydrophobicContact CD2-CG2 4.32Š| ||
| 568 | T | 29 | Very low | 29.4 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 63% | 0.632 | 73% | 0.728 | S | S | * | * | trans | -58.7 | 126 | 159.8 | 40.3 | 0 | 0 | 0 | 0 | 107.8 | G570 | T568-G570 PolarHBondContact O-N 3.12Š| ||
| 569 | V | 30.2 | Very low | 29.5 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 97% | 0.97 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -83.3 | 68.3 | 173.1 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | ||
| 570 | G | 29.3 | Very low | 29.5 | Very low | 28 Ų | 28 | 134.5 Ų | 134.5 | 29% | 0.289 | 75% | 0.746 | S | S | . | * | S | Bend | trans | -157.2 | 127.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 104.4 | T568 | T568-G570 PolarHBondContact O-N 3.12Š|
| 571 | D | 28.9 | Very low | 29.5 | Very low | 161 Ų | 161 | 137 Ų | 137 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 97.3 | 16.9 | 179.4 | -52.9 | -27 | 0 | 0 | 0 | 119.6 | ||
| 572 | V | 31.8 | Very low | 29.6 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -105.4 | 94.2 | 167.1 | -178.4 | 0 | 0 | 0 | 0 | 110 | L567 | L567-V572 HydrophobicContact CD2-CG2 4.32Š|
| 573 | I | 32.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | 95.2 | 62.9 | 149.7 | -52.2 | 163.5 | 0 | 0 | 0 | 115.4 | K575 | I573-K575 VanDerWaalsContact C-N 3.28Å; I573-K575 VanDerWaalsContact CG2-O 3.23Å; I573-K575 WeakPolarHBondContact CG2-O 3.21Å; I573-K575 PolarHBondContact O-N 2.65Å | ||
| 574 | N | 29.4 | Very low | 30.2 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | S | Bend | -75.1 | 84.3 | 129.2 | -93.4 | -37.6 | 0 | 0 | 0 | 108.5 | |||
| 575 | K | 31.1 | Very low | 30.8 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | 171.3 | 91.9 | 162.4 | -108.8 | 178.8 | 178 | 176.4 | 0 | 108.3 | I573 | I573-K575 VanDerWaalsContact C-N 3.28Å; I573-K575 VanDerWaalsContact CG2-O 3.23Å; I573-K575 WeakPolarHBondContact CG2-O 3.21Å; I573-K575 PolarHBondContact O-N 2.65Å | ||
| 576 | I | 32.1 | Very low | 31.5 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -175.9 | 85.8 | 138.6 | -84.8 | 142.8 | 0 | 0 | 0 | 102.9 | ||||
| 577 | D | 34.5 | Very low | 32.1 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | -74 | 140.8 | 162.9 | -160.1 | -17.4 | 0 | 0 | 0 | 107.3 | ||||
| 578 | S | 28.8 | Very low | 32.6 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | 45.2 | 100.7 | 157.4 | 36.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 579 | K | 30.8 | Very low | 33.2 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | -176.5 | 131.8 | 127.5 | -102.5 | 162.9 | -176.4 | 179.9 | 0 | 112.5 | |||||
| 580 | E | 28 | Very low | 33.4 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | trans | -51.4 | 128.7 | 168.7 | -66.3 | 166.1 | 142.3 | 0 | 0 | 111.4 | ||||
| 581 | I | 31.6 | Very low | 33.8 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | trans | -137.4 | 113.5 | 159 | -61.2 | -177.9 | 0 | 0 | 0 | 106.8 | V583 | I581-V583 PolarHBondContact O-N 3.23Š| ||
| 582 | E | 29.1 | Very low | 34 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 93% | 0.925 | 72% | 0.721 | S | S | * | * | trans | -55.5 | 126.3 | 165.9 | -72.1 | 171 | 136.1 | 0 | 0 | 109.5 | ||||
| 583 | V | 33.3 | Very low | 34.3 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | trans | -115.2 | 114.3 | 171.1 | -176 | 0 | 0 | 0 | 0 | 109.2 | I581 | I581-V583 PolarHBondContact O-N 3.23Š| ||
| 584 | D | 34.3 | Very low | 34.4 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 65% | 0.652 | 72% | 0.72 | S | S | * | * | trans | -37 | 139.5 | 179.7 | -133 | -25.1 | 0 | 0 | 0 | 117.4 | D586 F587 | D584-D586 PolarHBondContact O-N 3.31Å; D584-D586 VanDerWaalsContact O-N 3.08Å; D584-F587 PolarHBondContact O-N 3.11Å | ||
| 585 | A | 38.7 | Very low | 34.7 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 66% | 0.661 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -8.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F587 | A585-F587 VanDerWaalsContact C-N 3.34Š|
| 586 | D | 44.1 | Very low | 35 | Very low | 104 Ų | 104 | 138 Ų | 138 | 56% | 0.556 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -76.7 | -16 | 176.3 | -82.3 | -25.1 | 0 | 0 | 0 | 113.8 | D584 K589 Y590 | D584-D586 PolarHBondContact O-N 3.31Å; D584-D586 VanDerWaalsContact O-N 3.08Å; D586-K589 PolarHBondContact O-N 3.08Å; D586-Y590 PolarHBondContact O-N 3.03Å |
| 587 | F | 39 | Very low | 35.3 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -72.3 | -33.9 | 176.7 | -159.2 | -101.9 | 0 | 0 | 0 | 112.6 | D584 A585 K589 Y590 L591 | D584-F587 PolarHBondContact O-N 3.11Å; A585-F587 VanDerWaalsContact C-N 3.34Å; F587-K589 VanDerWaalsContact C-N 3.31Å; F587-K589 PolarHBondContact O-N 3.31Å; F587-Y590 PolarHBondContact O-N 3.07Å; F587-L591 HydrophobicContact CD1-CD1 3.84Å; F587-L591 HydrophobicContact CE1-CD1 3.69Å; F587-L591 HydrophobicContact CE1-CG 4.35Å; F587-L591 PolarHBondContact O-N 3.39Å; F587-L591 VanDerWaalsContact O-N 3.1Å |
| 588 | E | 37.9 | Very low | 35.1 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.3 | -35.5 | 173.7 | -101.6 | -171.8 | 157.5 | 0 | 0 | 111.9 | Y590 L591 Y592 | E588-Y590 VanDerWaalsContact C-N 3.34Å; E588-Y590 PolarHBondContact O-N 3.35Å; E588-L591 PolarHBondContact O-N 3.31Å; E588-Y592 PolarHBondContact O-N 2.91Å |
| 589 | K | 41.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 141 Ų | 141 | 67% | 0.665 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71.1 | -31.1 | 177.5 | -149.6 | 173.1 | -170.8 | 173.6 | 0 | 112.1 | D586 F587 K593 | D586-K589 PolarHBondContact O-N 3.08Å; F587-K589 VanDerWaalsContact C-N 3.31Å; F587-K589 PolarHBondContact O-N 3.31Å; K589-K593 WeakPolarHBondContact O-CB 3.18Å; K589-K593 PolarHBondContact O-N 3.38Å; K589-K593 VanDerWaalsContact O-N 3.11Å |
| 590 | Y | 35.6 | Very low | 35.4 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.1 | -38.2 | 174.7 | -124.5 | -86.3 | 0 | 0 | 0 | 112.5 | D586 F587 E588 N594 | D586-Y590 PolarHBondContact O-N 3.03Å; F587-Y590 PolarHBondContact O-N 3.07Å; E588-Y590 VanDerWaalsContact C-N 3.34Å; E588-Y590 PolarHBondContact O-N 3.35Å; Y590-N594 PolarHBondContact O-N 2.87Å |
| 591 | L | 36.6 | Very low | 35.5 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 61% | 0.607 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -67.9 | -35.2 | 173.6 | -84.8 | 163 | 0 | 0 | 0 | 112.3 | F587 E588 | F587-L591 HydrophobicContact CD1-CD1 3.84Å; F587-L591 HydrophobicContact CE1-CD1 3.69Å; F587-L591 HydrophobicContact CE1-CG 4.35Å; F587-L591 PolarHBondContact O-N 3.39Å; F587-L591 VanDerWaalsContact O-N 3.1Å; E588-L591 PolarHBondContact O-N 3.31Å |
| 592 | Y | 34.9 | Very low | 35.3 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73.8 | -33 | 177.9 | -137.1 | -92.9 | 0 | 0 | 0 | 113 | E588 S595 | E588-Y592 PolarHBondContact O-N 2.91Å; Y592-S595 PolarHBondContact O-N 3.45Å; Y592-S595 PolarHBondContact O-OG 3.49Å |
| 593 | K | 38 | Very low | 35.2 | Very low | 164 Ų | 164 | 130 Ų | 130 | 71% | 0.713 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.9 | -32.7 | -177.5 | -146.2 | 176.6 | -174.3 | -174.4 | 0 | 113.6 | K589 S595 | K589-K593 WeakPolarHBondContact O-CB 3.18Å; K589-K593 PolarHBondContact O-N 3.38Å; K589-K593 VanDerWaalsContact O-N 3.11Å; K593-S595 PolarHBondContact O-N 3.36Å |
| 594 | N | 34.1 | Very low | 34.8 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | -12.1 | 174.5 | -83.2 | -12.5 | 0 | 0 | 0 | 113.9 | Y590 N596 | Y590-N594 PolarHBondContact O-N 2.87Å; N594-N596 VanDerWaalsContact C-N 3.32Å; N594-N596 PolarHBondContact O-N 3.33Å |
| 595 | S | 35.3 | Very low | 34.5 | Very low | 52 Ų | 52 | 131.3 Ų | 131.3 | 36% | 0.364 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -14.1 | 179.5 | 78.4 | 0 | 0 | 0 | 0 | 114.3 | Y592 K593 | Y592-S595 PolarHBondContact O-N 3.45Å; Y592-S595 PolarHBondContact O-OG 3.49Å; K593-S595 PolarHBondContact O-N 3.36Å |
| 596 | N | 38.3 | Very low | 33.7 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 53% | 0.529 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.6 | -9.3 | -173.2 | -85.1 | -20.2 | 0 | 0 | 0 | 115.8 | N594 | N594-N596 VanDerWaalsContact C-N 3.32Å; N594-N596 PolarHBondContact O-N 3.33Å |
| 597 | E | 37 | Very low | 33.1 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -9.8 | 177.4 | -74.2 | -175.9 | 167.8 | 0 | 0 | 114.4 | ||
| 598 | N | 31.6 | Very low | 32.8 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -95.8 | 9.6 | 178.4 | -86.5 | -30.4 | 0 | 0 | 0 | 114.9 | D600 | N598-D600 VanDerWaalsContact C-N 3.35Å; N598-D600 PolarHBondContact O-N 3.23Å |
| 599 | R | 32.5 | Very low | 32.8 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -12.1 | -173.9 | -74 | -169.8 | -177.4 | -164.3 | 0.8 | 115.4 | ||
| 600 | D | 32.6 | Very low | 33.3 | Very low | 170 Ų | 170 | 136 Ų | 136 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 11.4 | -176.2 | -72.4 | -26.6 | 0 | 0 | 0 | 115.5 | N598 | N598-D600 VanDerWaalsContact C-N 3.35Å; N598-D600 PolarHBondContact O-N 3.23Å |
| 601 | S | 30.2 | Very low | 34.9 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 59% | 0.594 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -131.7 | 7.7 | -179.2 | 58.2 | 0 | 0 | 0 | 0 | 116.6 | S603 | S601-S603 PolarHBondContact O-N 2.96Š|
| 602 | L | 28 | Very low | 36.8 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 73% | 0.733 | 65% | 0.649 | S | S | * | * | trans | -97.8 | 55.9 | -178.2 | -142.9 | 84.1 | 0 | 0 | 0 | 113.5 | ||||
| 603 | S | 25.9 | Very low | 39.2 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | trans | -107.2 | 72.2 | 164.9 | 65.4 | 0 | 0 | 0 | 0 | 110 | S601 | S601-S603 PolarHBondContact O-N 2.96Š| ||
| 604 | S | 25.2 | Very low | 41.7 | Very low | 114 Ų | 114 | 111.1 Ų | 111.1 | 80% | 0.797 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 163.3 | 74.7 | 157.2 | -79.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 605 | Q | 26.8 | Very low | 44.4 | Very low | 159 Ų | 159 | 106.3 Ų | 106.3 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | trans | -169.8 | 112.3 | 150.5 | -107.5 | 166.1 | 9.4 | 0 | 0 | 109 | I607 | Q605-I607 PolarHBondContact O-N 3.05Å; Q605-I607 VanDerWaalsContact O-N 3.17Å | ||
| 606 | M | 23.8 | Very low | 47 | Very low | 201 Ų | 201 | 103.9 Ų | 103.9 | 99% | 0.99 | 55% | 0.545 | S | S | * | . | trans | -67.9 | 104.8 | 171.4 | -68.6 | 165.3 | 60.5 | 0 | 0 | 108.2 | ||||
| 607 | I | 29.7 | Very low | 49.6 | Very low | 135 Ų | 135 | 100.5 Ų | 100.5 | 69% | 0.692 | 53% | 0.53 | S | S | * | . | trans | -110.1 | 130 | 171.2 | -65.3 | 171.8 | 0 | 0 | 0 | 106.7 | Q605 Q609 | Q605-I607 PolarHBondContact O-N 3.05Å; Q605-I607 VanDerWaalsContact O-N 3.17Å; I607-Q609 PolarHBondContact O-N 2.78Å | ||
| 608 | D | 32.9 | Very low | 52 | Low | 161 Ų | 161 | 92.7 Ų | 92.7 | 86% | 0.861 | 49% | 0.493 | S | S | * | . | trans | -39.5 | 118.5 | -169.6 | -67.2 | -45.2 | 0 | 0 | 0 | 115.2 | ||||
| 609 | Q | 39.6 | Very low | 54.7 | Low | 158 Ų | 158 | 94.3 Ų | 94.3 | 74% | 0.738 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 136.2 | 160.6 | -76.7 | -179 | -12.2 | 0 | 0 | 108.6 | I607 | I607-Q609 PolarHBondContact O-N 2.78Š|
| 610 | P | 50.8 | Low | 57.4 | Low | 75 Ų | 75 | 85.9 Ų | 85.9 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 139.5 | 175.6 | 23.9 | -32.1 | 0 | 0 | 0 | 110.2 | ||
| 611 | D | 68.5 | Low | 60.2 | Low | 52 Ų | 52 | 78 Ų | 78 | 28% | 0.278 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 161.3 | 178.7 | -142.5 | -15.1 | 0 | 0 | 0 | 108.4 | D447 R448 K638 R959 | D447-D611 PolarHBondContact OD1-N 3.44Å; R448-D611 PolarHBondContact N-O 3.1Å; D611-K638 IonicContact OD1-NZ 3.7Å; D611-K638 PolarHBondContact OD1-NZ 3.07Å; D611-R959 IonicContact OD2-CZ 2.63Å; D611-R959 IonicContact OD2-NH2 3.35Å; D611-R959 PolarHBondContact OD2-NH2 3.32Å |
| 612 | F | 78.3 | Confident | 63 | Low | 30 Ų | 30 | 76.5 Ų | 76.5 | 13% | 0.132 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.7 | 179.1 | 68.2 | -89.2 | 0 | 0 | 0 | 110.9 | R448 L614 K638 I962 L970 | R448-F612 CarbonylContact O-C 3.53Å; R448-F612 VanDerWaalsContact O-CA 3.31Å; R448-F612 WeakPolarHBondContact O-CA 3.3Å; F612-L614 HydrophobicContact CD2-CD2 4.37Å; F612-L614 HydrophobicContact CE2-CD2 4.28Å; F612-L614 HydrophobicContact CE2-CG 4.35Å; F612-K638 HydrophobicContact CE2-CB 4.37Å; F612-K638 HydrophobicContact CE2-CD 4.16Å; F612-K638 HydrophobicContact CE2-CG 4.23Å; F612-K638 HydrophobicContact CZ-CD 4.08Å; F612-K638 HydrophobicContact CZ-CG 4.29Å; F612-I962 HydrophobicContact CZ-CG2 4.02Å; F612-L970 HydrophobicContact CD1-CD1 4.37Å; F612-L970 HydrophobicContact CD2-CD1 4.24Å; F612-L970 HydrophobicContact CE1-CD1 3.94Å; F612-L970 HydrophobicContact CE2-CD1 3.82Å; F612-L970 HydrophobicContact CZ-CD1 3.65Å; F612-L970 HydrophobicContact CZ-CG 4.48Å |
| 613 | H | 84.6 | Confident | 65.9 | Low | 29 Ų | 29 | 71.2 Ų | 71.2 | 13% | 0.134 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141 | 179.6 | -66.6 | -81.1 | 0 | 0 | 0 | 111 | I443 D447 R448 V449 V450 T640 | I443-H613 HydrophobicContact CD1-CB 4.46Å; I443-H613 HydrophobicContact CG1-CB 4.38Å; D447-H613 IonicContact OD2-CD2 2.78Å; D447-H613 IonicContact OD2-NE2 3.55Å; D447-H613 PolarHBondContact OD2-NE2 3.02Å; R448-H613 PolarHBondContact O-N 3.48Å; V449-H613 WeakPolarHBondContact CA-O 3.36Å; V450-H613 PolarHBondContact N-O 2.9Å; H613-T640 PolarHBondContact ND1-OG1 3.34Å |
| 614 | L | 89.4 | Confident | 68.9 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138.7 | 174.6 | -57 | 167.1 | 0 | 0 | 0 | 111.1 | V450 V452 F506 F612 L616 L635 K638 G639 T640 V641 | V450-L614 HydrophobicContact CB-CD2 3.9Å; V450-L614 HydrophobicContact CG1-CD2 3.97Å; V450-L614 CarbonylContact O-C 3.01Å; V450-L614 WeakPolarHBondContact O-CA 3.13Å; V452-L614 HydrophobicContact CG2-CB 4.17Å; V452-L614 HydrophobicContact CG2-CD2 3.81Å; V452-L614 HydrophobicContact CG2-CG 4.41Å; F506-L614 HydrophobicContact CD1-CD2 4.06Å; F506-L614 HydrophobicContact CE1-CD2 4.14Å; F612-L614 HydrophobicContact CD2-CD2 4.37Å; F612-L614 HydrophobicContact CE2-CD2 4.28Å; F612-L614 HydrophobicContact CE2-CG 4.35Å; L614-L616 HydrophobicContact CB-CD1 4.1Å; L614-L635 HydrophobicContact CD1-CD2 3.87Å; L614-K638 HydrophobicContact CD1-CB 3.71Å; L614-K638 HydrophobicContact CG-CB 4.11Å; L614-K638 PolarHBondContact N-O 3.03Å; L614-G639 WeakPolarHBondContact O-CA 3.32Å; L614-T640 PolarHBondContact O-N 3.16Å; L614-V641 PolarHBondContact O-N 3.49Å |
| 615 | A | 90.8 | Very high | 71.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I430 I434 V449 V450 I451 V452 V641 | I430-A615 HydrophobicContact CD1-CB 4.04Å; I430-A615 HydrophobicContact CG1-CB 4.3Å; I434-A615 HydrophobicContact CD1-CB 3.86Å; I434-A615 HydrophobicContact CG1-CB 4.14Å; V449-A615 HydrophobicContact CG1-CB 4.11Å; V450-A615 PolarHBondContact O-N 3.26Å; I451-A615 WeakPolarHBondContact CA-O 3.39Å; I451-A615 HydrophobicContact CG1-CB 4.35Å; V452-A615 PolarHBondContact N-O 2.93Å; A615-V641 CarbonylContact C-O 2.94Å; A615-V641 VanDerWaalsContact CA-O 3.28Å; A615-V641 WeakPolarHBondContact CA-O 3.28Å; A615-V641 HydrophobicContact CB-CB 4.07Å |
| 616 | L | 91.6 | Very high | 74.7 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.9 | -176.5 | -64.4 | 100.2 | 0 | 0 | 0 | 111.3 | V452 L614 I624 L635 V641 F642 A643 | V452-L616 HydrophobicContact CB-CD2 3.96Å; V452-L616 HydrophobicContact CB-CG 3.95Å; V452-L616 HydrophobicContact CG1-CD2 4.27Å; V452-L616 HydrophobicContact CG2-CD1 4.41Å; V452-L616 HydrophobicContact CG2-CD2 4.24Å; V452-L616 HydrophobicContact CG2-CG 4.02Å; L614-L616 HydrophobicContact CB-CD1 4.1Å; L616-I624 HydrophobicContact CD2-CD1 4.1Å; L616-L635 HydrophobicContact CD2-CD1 4Å; L616-L635 HydrophobicContact CD2-CD2 4.24Å; L616-L635 HydrophobicContact CD2-CG 4.48Å; L616-V641 PolarHBondContact N-O 3.09Å; L616-F642 HydrophobicContact CB-CD1 4.24Å; L616-F642 HydrophobicContact CD1-CD1 4.32Å; L616-F642 HydrophobicContact CD1-CE1 3.85Å; L616-F642 HydrophobicContact CD1-CZ 4.34Å; L616-F642 WeakPolarHBondContact O-CA 3.35Å; L616-A643 PolarHBondContact O-N 3.36Å |
| 617 | S | 91.2 | Very high | 77.7 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 153.9 | 171.2 | 68 | 0 | 0 | 0 | 0 | 112.3 | K619 T620 W621 A643 | S617-K619 VanDerWaalsContact C-N 3.32Å; S617-K619 PolarHBondContact O-N 2.98Å; S617-T620 WeakPolarHBondContact O-CB 3.28Å; S617-T620 PolarHBondContact O-N 3.29Å; S617-T620 WeakPolarHBondContact OG-CB 3.24Å; S617-T620 PolarHBondContact OG-N 3.31Å; S617-T620 PolarHBondContact OG-OG1 2.96Å; S617-W621 PolarHBondContact O-N 2.94Å; S617-A643 CarbonylContact C-O 3.58Å; S617-A643 VanDerWaalsContact CA-O 3.26Å; S617-A643 WeakPolarHBondContact CA-O 3.41Å |
| 618 | G | 87.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | W621 S622 A643 R644 Q649 | G618-W621 WeakPolarHBondContact O-CB 3.23Å; G618-W621 PolarHBondContact O-N 2.94Å; G618-S622 PolarHBondContact O-N 3.28Å; G618-S622 VanDerWaalsContact O-N 3.1Å; G618-S622 PolarHBondContact O-OG 3.01Å; G618-A643 PolarHBondContact N-O 3.48Å; G618-R644 WeakPolarHBondContact CA-O 3.49Å; G618-Q649 PolarHBondContact O-NE2 3.08Å |
| 619 | K | 88.1 | Confident | 82.8 | Confident | 145 Ų | 145 | 48 Ų | 48 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.4 | -48 | 174.2 | -68.6 | -176.8 | 178.4 | 179.6 | 0 | 111.6 | S617 W621 S622 V623 | S617-K619 VanDerWaalsContact C-N 3.32Å; S617-K619 PolarHBondContact O-N 2.98Å; K619-W621 VanDerWaalsContact C-N 3.29Å; K619-W621 PolarHBondContact O-N 2.84Å; K619-S622 PolarHBondContact O-N 2.97Å; K619-V623 PolarHBondContact O-N 3.06Å |
| 620 | T | 90.7 | Very high | 85 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 177.5 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | V452 A454 S617 S622 V623 I624 | V452-T620 WeakPolarHBondContact O-CG2 3.33Å; A454-T620 HydrophobicContact CB-CG2 3.89Å; S617-T620 WeakPolarHBondContact O-CB 3.28Å; S617-T620 PolarHBondContact O-N 3.29Å; S617-T620 WeakPolarHBondContact OG-CB 3.24Å; S617-T620 PolarHBondContact OG-N 3.31Å; S617-T620 PolarHBondContact OG-OG1 2.96Å; T620-S622 PolarHBondContact O-N 2.74Å; T620-V623 PolarHBondContact O-N 3.36Å; T620-I624 HydrophobicContact CG2-CD1 3.58Å; T620-I624 HydrophobicContact CG2-CG1 4.3Å; T620-I624 VanDerWaalsContact O-CG1 3.26Å; T620-I624 WeakPolarHBondContact O-CG1 3.13Å; T620-I624 PolarHBondContact O-N 3.3Å |
| 621 | W | 90.8 | Very high | 86.7 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 177.2 | 178.9 | -93.5 | 0 | 0 | 0 | 112.7 | S617 G618 K619 V623 I624 Q625 I632 V636 F642 F645 V653 A656 | S617-W621 PolarHBondContact O-N 2.94Å; G618-W621 WeakPolarHBondContact O-CB 3.23Å; G618-W621 PolarHBondContact O-N 2.94Å; K619-W621 VanDerWaalsContact C-N 3.29Å; K619-W621 PolarHBondContact O-N 2.84Å; W621-V623 PolarHBondContact O-N 2.94Å; W621-I624 PolarHBondContact O-N 3.42Å; W621-Q625 WeakPolarHBondContact O-CB 3.38Å; W621-Q625 PolarHBondContact O-N 3.38Å; W621-I632 HydrophobicContact CH2-CG2 3.78Å; W621-I632 HydrophobicContact CZ3-CG2 4.44Å; W621-V636 HydrophobicContact CH2-CG2 3.92Å; W621-V636 HydrophobicContact CZ3-CG2 4.16Å; W621-F642 HydrophobicContact CE3-CE1 4.39Å; W621-F642 HydrophobicContact CZ3-CE1 4.21Å; W621-F645 HydrophobicContact CB-CE1 3.87Å; W621-F645 HydrophobicContact CB-CE2 4.43Å; W621-F645 HydrophobicContact CB-CZ 3.5Å; W621-F645 AromaticContact CD1-CE1 3.9Å; W621-F645 AromaticContact CD2-CE1 3.99Å; W621-F645 HydrophobicContact CD2-CE1 3.99Å; W621-F645 HydrophobicContact CD2-CZ 4.1Å; W621-F645 HydrophobicContact CE3-CZ 4.39Å; W621-F645 AromaticContact CG-CE1 3.62Å; W621-F645 HydrophobicContact CG-CE1 3.62Å; W621-F645 AromaticContact CG-CZ 3.7Å; W621-F645 HydrophobicContact CG-CZ 3.7Å; W621-V653 HydrophobicContact CD2-CG2 4.11Å; W621-V653 HydrophobicContact CE3-CG2 4.38Å; W621-V653 HydrophobicContact CH2-CG2 4.04Å; W621-V653 HydrophobicContact CZ2-CG2 3.78Å; W621-V653 HydrophobicContact CZ3-CG2 4.35Å; W621-A656 HydrophobicContact CH2-CB 4.06Å; W621-A656 HydrophobicContact CZ2-CB 4.33Å |
| 622 | S | 88.4 | Confident | 87.6 | Confident | 55 Ų | 55 | 42.9 Ų | 42.9 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 176.3 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | G618 K619 T620 I624 Q625 E626 Q649 | G618-S622 PolarHBondContact O-N 3.28Å; G618-S622 VanDerWaalsContact O-N 3.1Å; G618-S622 PolarHBondContact O-OG 3.01Å; K619-S622 PolarHBondContact O-N 2.97Å; T620-S622 PolarHBondContact O-N 2.74Å; S622-I624 VanDerWaalsContact C-N 3.34Å; S622-I624 PolarHBondContact O-N 3.2Å; S622-Q625 PolarHBondContact O-N 3.26Å; S622-E626 WeakPolarHBondContact O-CB 3.44Å; S622-E626 PolarHBondContact O-N 3.04Å; S622-Q649 PolarHBondContact OG-NE2 3.28Å |
| 623 | V | 88.5 | Confident | 88.1 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 178 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | A454 K619 T620 W621 Q625 E626 H627 Y628 | A454-V623 HydrophobicContact CB-CB 4.37Å; A454-V623 HydrophobicContact CB-CG1 3.99Å; K619-V623 PolarHBondContact O-N 3.06Å; T620-V623 PolarHBondContact O-N 3.36Å; W621-V623 PolarHBondContact O-N 2.94Å; V623-Q625 VanDerWaalsContact C-N 3.34Å; V623-E626 PolarHBondContact O-N 2.81Å; V623-H627 PolarHBondContact O-N 2.7Å; V623-Y628 HydrophobicContact CG1-CE2 4.27Å |
| 624 | I | 88.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 177.9 | -69.5 | 169.1 | 0 | 0 | 0 | 111.1 | V452 A454 L616 T620 W621 S622 E626 Y628 S629 I632 L635 | V452-I624 HydrophobicContact CG1-CD1 4.4Å; A454-I624 HydrophobicContact CB-CD1 4.09Å; A454-I624 HydrophobicContact CB-CG1 3.63Å; L616-I624 HydrophobicContact CD2-CD1 4.1Å; T620-I624 HydrophobicContact CG2-CD1 3.58Å; T620-I624 HydrophobicContact CG2-CG1 4.3Å; T620-I624 VanDerWaalsContact O-CG1 3.26Å; T620-I624 WeakPolarHBondContact O-CG1 3.13Å; T620-I624 PolarHBondContact O-N 3.3Å; W621-I624 PolarHBondContact O-N 3.42Å; S622-I624 VanDerWaalsContact C-N 3.34Å; S622-I624 PolarHBondContact O-N 3.2Å; I624-E626 VanDerWaalsContact C-N 3.34Å; I624-Y628 CarbonylContact O-C 3.58Å; I624-Y628 VanDerWaalsContact O-CA 3.24Å; I624-Y628 WeakPolarHBondContact O-CA 3.48Å; I624-Y628 PolarHBondContact O-N 3.48Å; I624-S629 PolarHBondContact O-N 3.46Å; I624-S629 VanDerWaalsContact O-N 3.08Å; I624-I632 HydrophobicContact CG2-CG1 4.05Å; I624-L635 HydrophobicContact CD1-CD1 3.68Å; I624-L635 HydrophobicContact CG2-CD1 3.87Å |
| 625 | Q | 87.5 | Confident | 88.1 | Confident | 78 Ų | 78 | 43.6 Ų | 43.6 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66 | -39.1 | 179.8 | -174.6 | 174.7 | -12.8 | 0 | 0 | 112.1 | W621 S622 V623 I632 | W621-Q625 WeakPolarHBondContact O-CB 3.38Å; W621-Q625 PolarHBondContact O-N 3.38Å; S622-Q625 PolarHBondContact O-N 3.26Å; V623-Q625 VanDerWaalsContact C-N 3.34Å; Q625-I632 HydrophobicContact CG-CD1 4.49Å |
| 626 | E | 87.4 | Confident | 88 | Confident | 149 Ų | 149 | 43.6 Ų | 43.6 | 70% | 0.696 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -74.7 | -48.7 | -179.2 | -171.4 | 171.2 | -179.8 | 0 | 0 | 112.6 | S622 V623 I624 | S622-E626 WeakPolarHBondContact O-CB 3.44Å; S622-E626 PolarHBondContact O-N 3.04Å; V623-E626 PolarHBondContact O-N 2.81Å; I624-E626 VanDerWaalsContact C-N 3.34Å |
| 627 | H | 85.9 | Confident | 87.8 | Confident | 71 Ų | 71 | 43.7 Ų | 43.7 | 33% | 0.329 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -105.9 | -27.8 | -170.4 | -57.7 | -64.1 | 0 | 0 | 0 | 114.5 | P457 V623 | P457-H627 VanDerWaalsContact CD-CG 3.41Å; P457-H627 HydrophobicContact CG-CB 4.5Å; V623-H627 PolarHBondContact O-N 2.7Å |
| 628 | Y | 85.6 | Confident | 87.6 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | trans | -127.7 | 39.9 | -169.1 | -49.2 | -68.3 | 0 | 0 | 0 | 112.9 | H455 L503 V504 V623 I624 W630 L631 | H455-Y628 WeakPolarHBondContact O-CE2 3.5Å; H455-Y628 PolarHBondContact O-OH 3.18Å; L503-Y628 WeakPolarHBondContact CB-OH 3.44Å; L503-Y628 WeakPolarHBondContact CD1-OH 3.46Å; V504-Y628 HydrophobicContact CG2-CD2 3.99Å; V504-Y628 HydrophobicContact CG2-CE2 4.08Å; V504-Y628 HydrophobicContact CG2-CG 4.31Å; V623-Y628 HydrophobicContact CG1-CE2 4.27Å; I624-Y628 CarbonylContact O-C 3.58Å; I624-Y628 VanDerWaalsContact O-CA 3.24Å; I624-Y628 WeakPolarHBondContact O-CA 3.48Å; I624-Y628 PolarHBondContact O-N 3.48Å; Y628-W630 PolarHBondContact O-N 3.22Å; Y628-L631 VanDerWaalsContact O-CB 3.31Å; Y628-L631 WeakPolarHBondContact O-CB 3.27Å; Y628-L631 PolarHBondContact O-N 3.49Å | ||
| 629 | S | 85.4 | Confident | 87.6 | Confident | 76 Ų | 76 | 42.7 Ų | 42.7 | 53% | 0.531 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -56.4 | -25.7 | -173.8 | 62 | 0 | 0 | 0 | 0 | 114.7 | I624 L631 I632 | I624-S629 PolarHBondContact O-N 3.46Å; I624-S629 VanDerWaalsContact O-N 3.08Å; S629-L631 PolarHBondContact O-N 3.36Å; S629-I632 WeakPolarHBondContact O-CB 3.34Å; S629-I632 WeakPolarHBondContact O-CG1 3.34Å; S629-I632 PolarHBondContact O-N 3.3Å |
| 630 | W | 85.1 | Confident | 87.6 | Confident | 143 Ų | 143 | 35.9 Ų | 35.9 | 54% | 0.542 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -65.6 | -20.8 | 175.4 | 66 | -91.8 | 0 | 0 | 0 | 113.8 | I500 Y628 P633 | I500-W630 HydrophobicContact CG2-CZ2 4.3Å; Y628-W630 PolarHBondContact O-N 3.22Å; W630-P633 WeakPolarHBondContact O-CD 3.45Å |
| 631 | L | 85.8 | Confident | 87.6 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -83.4 | -22.7 | -179.4 | -166.5 | 65.5 | 0 | 0 | 0 | 112.4 | V504 Y628 S629 P633 K634 L635 W969 | V504-L631 HydrophobicContact CG1-CD2 4.02Å; Y628-L631 VanDerWaalsContact O-CB 3.31Å; Y628-L631 WeakPolarHBondContact O-CB 3.27Å; Y628-L631 PolarHBondContact O-N 3.49Å; S629-L631 PolarHBondContact O-N 3.36Å; L631-P633 VanDerWaalsContact C-CD 3.49Å; L631-K634 PolarHBondContact O-N 3.27Å; L631-L635 HydrophobicContact CB-CD1 4.36Å; L631-L635 HydrophobicContact CD2-CD1 3.85Å; L631-L635 HydrophobicContact CD2-CD2 4.44Å; L631-L635 HydrophobicContact CD2-CG 4.25Å; L631-L635 HydrophobicContact CG-CD1 3.81Å; L631-L635 HydrophobicContact CG-CD2 4.45Å; L631-L635 HydrophobicContact CG-CG 3.91Å; L631-L635 PolarHBondContact O-N 3.13Å; L631-L635 VanDerWaalsContact O-N 3.09Å; L631-W969 HydrophobicContact CD1-CZ2 3.72Å |
| 632 | I | 88.8 | Confident | 87.7 | Confident | 26 Ų | 26 | 35.3 Ų | 35.3 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -49.7 | -49.5 | -177.2 | -64.9 | 172.7 | 0 | 0 | 0 | 112.7 | W621 I624 Q625 S629 K634 L635 V636 A656 | W621-I632 HydrophobicContact CH2-CG2 3.78Å; W621-I632 HydrophobicContact CZ3-CG2 4.44Å; I624-I632 HydrophobicContact CG2-CG1 4.05Å; Q625-I632 HydrophobicContact CG-CD1 4.49Å; S629-I632 WeakPolarHBondContact O-CB 3.34Å; S629-I632 WeakPolarHBondContact O-CG1 3.34Å; S629-I632 PolarHBondContact O-N 3.3Å; I632-K634 PolarHBondContact O-N 3.43Å; I632-L635 PolarHBondContact O-N 3.09Å; I632-V636 HydrophobicContact CG2-CG2 3.88Å; I632-V636 WeakPolarHBondContact O-CB 3.36Å; I632-V636 WeakPolarHBondContact O-CG2 3.43Å; I632-V636 PolarHBondContact O-N 3.18Å; I632-A656 HydrophobicContact CG2-CB 3.95Å |
| 633 | P | 87.3 | Confident | 87.8 | Confident | 45 Ų | 45 | 32.7 Ų | 32.7 | 29% | 0.292 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.8 | -32.5 | -177.5 | -24 | 35.4 | 0 | 0 | 0 | 113.2 | W630 L631 V637 V660 I958 | W630-P633 WeakPolarHBondContact O-CD 3.45Å; L631-P633 VanDerWaalsContact C-CD 3.49Å; P633-V637 WeakPolarHBondContact O-CG2 3.47Å; P633-V637 PolarHBondContact O-N 3.3Å; P633-V660 HydrophobicContact CB-CG2 4.16Å; P633-I958 HydrophobicContact CB-CD1 3.82Å |
| 634 | K | 84.9 | Confident | 87.7 | Confident | 29 Ų | 29 | 37 Ų | 37 | 13% | 0.126 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -80.3 | -41.6 | -179.2 | -57.3 | -168.5 | 172.7 | -175.2 | 0 | 111.7 | L631 I632 V636 V637 K638 I958 E961 I962 W969 | L631-K634 PolarHBondContact O-N 3.27Å; I632-K634 PolarHBondContact O-N 3.43Å; K634-V636 VanDerWaalsContact C-N 3.34Å; K634-V636 PolarHBondContact O-N 3.44Å; K634-V637 PolarHBondContact O-N 3.1Å; K634-K638 PolarHBondContact O-N 2.84Å; K634-I958 HydrophobicContact CB-CG2 4.39Å; K634-I958 HydrophobicContact CG-CG2 4.02Å; K634-E961 WeakPolarHBondContact CE-OE1 3.24Å; K634-E961 IonicContact NZ-OE1 2.71Å; K634-E961 PolarHBondContact NZ-OE1 2.78Å; K634-I962 HydrophobicContact CB-CD1 4.12Å; K634-W969 HydrophobicContact CB-CH2 3.27Å; K634-W969 HydrophobicContact CB-CZ2 3.17Å; K634-W969 HydrophobicContact CB-CZ3 4.28Å; K634-W969 HydrophobicContact CD-CD2 4.06Å; K634-W969 HydrophobicContact CD-CH2 3.97Å; K634-W969 HydrophobicContact CD-CZ2 3.15Å; K634-W969 VanDerWaalsContact CD-NE1 3.34Å; K634-W969 HydrophobicContact CG-CH2 4.23Å; K634-W969 HydrophobicContact CG-CZ2 3.76Å |
| 635 | L | 88.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.9 | -66.4 | 170.3 | 0 | 0 | 0 | 111.8 | V452 F506 L614 L616 I624 L631 I632 V637 K638 G639 | V452-L635 HydrophobicContact CG1-CD2 4.39Å; V452-L635 HydrophobicContact CG2-CD2 4.21Å; F506-L635 HydrophobicContact CE1-CD2 4.48Å; L614-L635 HydrophobicContact CD1-CD2 3.87Å; L616-L635 HydrophobicContact CD2-CD1 4Å; L616-L635 HydrophobicContact CD2-CD2 4.24Å; L616-L635 HydrophobicContact CD2-CG 4.48Å; I624-L635 HydrophobicContact CD1-CD1 3.68Å; I624-L635 HydrophobicContact CG2-CD1 3.87Å; L631-L635 HydrophobicContact CB-CD1 4.36Å; L631-L635 HydrophobicContact CD2-CD1 3.85Å; L631-L635 HydrophobicContact CD2-CD2 4.44Å; L631-L635 HydrophobicContact CD2-CG 4.25Å; L631-L635 HydrophobicContact CG-CD1 3.81Å; L631-L635 HydrophobicContact CG-CD2 4.45Å; L631-L635 HydrophobicContact CG-CG 3.91Å; L631-L635 PolarHBondContact O-N 3.13Å; L631-L635 VanDerWaalsContact O-N 3.09Å; I632-L635 PolarHBondContact O-N 3.09Å; L635-V637 VanDerWaalsContact C-N 3.28Å; L635-V637 PolarHBondContact O-N 2.75Å; L635-K638 PolarHBondContact O-N 3.07Å; L635-G639 VanDerWaalsContact O-CA 3.23Å; L635-G639 WeakPolarHBondContact O-CA 3.18Å; L635-G639 PolarHBondContact O-N 2.94Å |
| 636 | V | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 179 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | R421 W621 I632 K634 A656 F657 V660 | R421-V636 PolarHBondContact NH1-O 3.42Å; W621-V636 HydrophobicContact CH2-CG2 3.92Å; W621-V636 HydrophobicContact CZ3-CG2 4.16Å; I632-V636 HydrophobicContact CG2-CG2 3.88Å; I632-V636 WeakPolarHBondContact O-CB 3.36Å; I632-V636 WeakPolarHBondContact O-CG2 3.43Å; I632-V636 PolarHBondContact O-N 3.18Å; K634-V636 VanDerWaalsContact C-N 3.34Å; K634-V636 PolarHBondContact O-N 3.44Å; V636-A656 HydrophobicContact CG2-CB 3.86Å; V636-F657 HydrophobicContact CB-CD1 4.46Å; V636-F657 HydrophobicContact CB-CE1 4.37Å; V636-F657 HydrophobicContact CG1-CB 4.29Å; V636-F657 HydrophobicContact CG1-CD1 3.1Å; V636-F657 HydrophobicContact CG1-CE1 3.36Å; V636-F657 HydrophobicContact CG1-CG 3.73Å; V636-F657 HydrophobicContact CG1-CZ 4.15Å; V636-F657 WeakPolarHBondContact O-CE1 3.2Å; V636-V660 HydrophobicContact CG1-CG2 4.4Å |
| 637 | V | 87 | Confident | 86.9 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.9 | -32.7 | -179.7 | 169.8 | 0 | 0 | 0 | 0 | 113.5 | R421 P633 K634 L635 V660 Y662 I958 R959 I962 | R421-V637 PolarHBondContact NH1-O 3.22Å; R421-V637 VanDerWaalsContact NH1-O 3.1Å; R421-V637 PolarHBondContact NH2-O 3.33Å; R421-V637 VanDerWaalsContact NH2-O 3.13Å; P633-V637 WeakPolarHBondContact O-CG2 3.47Å; P633-V637 PolarHBondContact O-N 3.3Å; K634-V637 PolarHBondContact O-N 3.1Å; L635-V637 VanDerWaalsContact C-N 3.28Å; L635-V637 PolarHBondContact O-N 2.75Å; V637-V660 HydrophobicContact CG2-CG1 3.86Å; V637-Y662 HydrophobicContact CG2-CE2 4.31Å; V637-I958 HydrophobicContact CB-CG2 4.06Å; V637-I958 HydrophobicContact CG1-CG2 4.29Å; V637-I958 HydrophobicContact CG2-CB 4.15Å; V637-I958 HydrophobicContact CG2-CG2 3.84Å; V637-R959 HydrophobicContact CG1-CB 3.86Å; V637-I962 HydrophobicContact CG1-CD1 4.35Å |
| 638 | K | 86.4 | Confident | 86.7 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -105.1 | -15.5 | 178.6 | -74.9 | -78.8 | -175.3 | 169.4 | 0 | 114.3 | R421 D611 F612 L614 K634 L635 T640 I962 D963 | R421-K638 PolarHBondContact NH2-O 3.09Å; D611-K638 IonicContact OD1-NZ 3.7Å; D611-K638 PolarHBondContact OD1-NZ 3.07Å; F612-K638 HydrophobicContact CE2-CB 4.37Å; F612-K638 HydrophobicContact CE2-CD 4.16Å; F612-K638 HydrophobicContact CE2-CG 4.23Å; F612-K638 HydrophobicContact CZ-CD 4.08Å; F612-K638 HydrophobicContact CZ-CG 4.29Å; L614-K638 HydrophobicContact CD1-CB 3.71Å; L614-K638 HydrophobicContact CG-CB 4.11Å; L614-K638 PolarHBondContact N-O 3.03Å; K634-K638 PolarHBondContact O-N 2.84Å; L635-K638 PolarHBondContact O-N 3.07Å; K638-T640 PolarHBondContact O-N 2.89Å; K638-I962 HydrophobicContact CG-CD1 3.88Å; K638-I962 HydrophobicContact CG-CG2 4.22Å; K638-D963 IonicContact NZ-OD1 2.66Å; K638-D963 PolarHBondContact NZ-OD1 2.84Å; K638-D963 VanDerWaalsContact NZ-OD1 3.09Å |
| 639 | G | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 118.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | R421 L614 L635 F642 | R421-G639 PolarHBondContact NH2-O 3.48Å; L614-G639 WeakPolarHBondContact O-CA 3.32Å; L635-G639 VanDerWaalsContact O-CA 3.23Å; L635-G639 WeakPolarHBondContact O-CA 3.18Å; L635-G639 PolarHBondContact O-N 2.94Å; G639-F642 WeakPolarHBondContact O-CE2 3.48Å |
| 640 | T | 89.1 | Confident | 87 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -29.7 | -178.4 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | V423 M424 M442 I443 H613 L614 K638 | V423-T640 WeakPolarHBondContact CG1-O 3.4Å; M424-T640 PolarHBondContact N-O 3.36Å; M442-T640 HydrophobicContact CB-CG2 4.45Å; I443-T640 HydrophobicContact CD1-CG2 4.29Å; I443-T640 HydrophobicContact CG1-CG2 3.8Å; H613-T640 PolarHBondContact ND1-OG1 3.34Å; L614-T640 PolarHBondContact O-N 3.16Å; K638-T640 PolarHBondContact O-N 2.89Å |
| 641 | V | 90.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.7 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | S433 I434 A437 I443 L614 A615 L616 A643 | S433-V641 VanDerWaalsContact CB-CG1 3.46Å; I434-V641 HydrophobicContact CG1-CG1 4.35Å; I434-V641 HydrophobicContact CG1-CG2 4.45Å; A437-V641 HydrophobicContact CB-CG2 3.83Å; I443-V641 HydrophobicContact CD1-CG2 3.92Å; L614-V641 PolarHBondContact O-N 3.49Å; A615-V641 CarbonylContact C-O 2.94Å; A615-V641 VanDerWaalsContact CA-O 3.28Å; A615-V641 WeakPolarHBondContact CA-O 3.28Å; A615-V641 HydrophobicContact CB-CB 4.07Å; L616-V641 PolarHBondContact N-O 3.09Å; V641-A643 HydrophobicContact CG1-CB 4.29Å |
| 642 | F | 93.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 106.8 | 172.9 | -62.4 | -91.3 | 0 | 0 | 0 | 107.2 | V423 M424 V425 T426 L616 W621 G639 F645 V653 F657 | V423-F642 HydrophobicContact CG1-CD2 3.66Å; V423-F642 HydrophobicContact CG1-CE2 3.68Å; M424-F642 PolarHBondContact O-N 3.23Å; V425-F642 WeakPolarHBondContact CA-O 3.45Å; V425-F642 HydrophobicContact CG1-CB 4.38Å; V425-F642 HydrophobicContact CG2-CB 4.31Å; V425-F642 HydrophobicContact CG2-CD2 4.18Å; T426-F642 PolarHBondContact N-O 3.22Å; L616-F642 HydrophobicContact CB-CD1 4.24Å; L616-F642 HydrophobicContact CD1-CD1 4.32Å; L616-F642 HydrophobicContact CD1-CE1 3.85Å; L616-F642 HydrophobicContact CD1-CZ 4.34Å; L616-F642 WeakPolarHBondContact O-CA 3.35Å; W621-F642 HydrophobicContact CE3-CE1 4.39Å; W621-F642 HydrophobicContact CZ3-CE1 4.21Å; G639-F642 WeakPolarHBondContact O-CE2 3.48Å; F642-F645 HydrophobicContact CB-CD2 3.84Å; F642-F645 HydrophobicContact CB-CE1 4.4Å; F642-F645 HydrophobicContact CB-CE2 3.59Å; F642-F645 HydrophobicContact CB-CG 4.35Å; F642-F645 HydrophobicContact CB-CZ 3.91Å; F642-F645 HydrophobicContact CD1-CE1 4.3Å; F642-F645 HydrophobicContact CD1-CE2 4.07Å; F642-F645 AromaticContact CD1-CZ 3.66Å; F642-F645 HydrophobicContact CD1-CZ 3.66Å; F642-F645 HydrophobicContact CG-CE2 4.35Å; F642-F645 HydrophobicContact CG-CZ 4.26Å; F642-V653 HydrophobicContact CD1-CG1 4.36Å; F642-V653 HydrophobicContact CD1-CG2 4.24Å; F642-V653 HydrophobicContact CD2-CG1 4.37Å; F642-V653 HydrophobicContact CE1-CG1 4.39Å; F642-V653 HydrophobicContact CE2-CG1 4.43Å; F642-V653 HydrophobicContact CG-CG1 4.34Å; F642-V653 HydrophobicContact CZ-CG1 4.43Å; F642-F657 HydrophobicContact CE2-CE2 4.25Å; F642-F657 AromaticContact CE2-CZ 3.72Å; F642-F657 HydrophobicContact CE2-CZ 3.72Å; F642-F657 HydrophobicContact CZ-CZ 4.12Å |
| 643 | A | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 155.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T426 D428 I430 S433 L616 S617 G618 V641 F645 | T426-A643 CarbonylContact O-C 3.58Å; T426-A643 WeakPolarHBondContact O-CA 3.49Å; D428-A643 WeakPolarHBondContact O-CB 3.43Å; I430-A643 HydrophobicContact CB-CB 3.88Å; I430-A643 HydrophobicContact CG1-CB 4.06Å; S433-A643 WeakPolarHBondContact OG-CB 3.44Å; L616-A643 PolarHBondContact O-N 3.36Å; S617-A643 CarbonylContact C-O 3.58Å; S617-A643 VanDerWaalsContact CA-O 3.26Å; S617-A643 WeakPolarHBondContact CA-O 3.41Å; G618-A643 PolarHBondContact N-O 3.48Å; V641-A643 HydrophobicContact CG1-CB 4.29Å; A643-F645 VanDerWaalsContact O-CD2 3.22Å; A643-F645 WeakPolarHBondContact O-CD2 3.43Å; A643-F645 PolarHBondContact O-N 2.84Å |
| 644 | R | 86.8 | Confident | 87.7 | Confident | 120 Ų | 120 | 23.5 Ų | 23.5 | 45% | 0.453 | 12% | 0.116 | S | C | . | . | S | Bend | trans | 54.4 | 37.4 | -171 | -62.4 | -70.4 | -156.5 | 171.7 | 2.1 | 113 | T426 G427 D428 G618 D988 | T426-R644 PolarHBondContact O-N 2.85Å; T426-R644 VanDerWaalsContact O-N 3.16Å; G427-R644 WeakPolarHBondContact O-CA 3.31Å; G427-R644 WeakPolarHBondContact O-CD 3.17Å; D428-R644 PolarHBondContact O-N 2.83Å; G618-R644 WeakPolarHBondContact CA-O 3.49Å; R644-D988 IonicContact NH2-OD1 2.67Å |
| 645 | F | 88.1 | Confident | 88 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | trans | -87.6 | 130.5 | 178 | -87.7 | -115.4 | 0 | 0 | 0 | 111.3 | T426 W621 F642 A643 Q649 K650 V653 | T426-F645 PolarHBondContact O-N 2.99Å; T426-F645 VanDerWaalsContact O-N 3.11Å; W621-F645 HydrophobicContact CB-CE1 3.87Å; W621-F645 HydrophobicContact CB-CE2 4.43Å; W621-F645 HydrophobicContact CB-CZ 3.5Å; W621-F645 AromaticContact CD1-CE1 3.9Å; W621-F645 AromaticContact CD2-CE1 3.99Å; W621-F645 HydrophobicContact CD2-CE1 3.99Å; W621-F645 HydrophobicContact CD2-CZ 4.1Å; W621-F645 HydrophobicContact CE3-CZ 4.39Å; W621-F645 AromaticContact CG-CE1 3.62Å; W621-F645 HydrophobicContact CG-CE1 3.62Å; W621-F645 AromaticContact CG-CZ 3.7Å; W621-F645 HydrophobicContact CG-CZ 3.7Å; F642-F645 HydrophobicContact CB-CD2 3.84Å; F642-F645 HydrophobicContact CB-CE1 4.4Å; F642-F645 HydrophobicContact CB-CE2 3.59Å; F642-F645 HydrophobicContact CB-CG 4.35Å; F642-F645 HydrophobicContact CB-CZ 3.91Å; F642-F645 HydrophobicContact CD1-CE1 4.3Å; F642-F645 HydrophobicContact CD1-CE2 4.07Å; F642-F645 AromaticContact CD1-CZ 3.66Å; F642-F645 HydrophobicContact CD1-CZ 3.66Å; F642-F645 HydrophobicContact CG-CE2 4.35Å; F642-F645 HydrophobicContact CG-CZ 4.26Å; A643-F645 VanDerWaalsContact O-CD2 3.22Å; A643-F645 WeakPolarHBondContact O-CD2 3.43Å; A643-F645 PolarHBondContact O-N 2.84Å; F645-Q649 HydrophobicContact CB-CB 4.24Å; F645-Q649 HydrophobicContact CD1-CB 3.42Å; F645-Q649 VanDerWaalsContact CD1-CB 3.42Å; F645-Q649 HydrophobicContact CE1-CB 4.05Å; F645-Q649 HydrophobicContact CG-CB 4.16Å; F645-K650 HydrophobicContact CB-CG 4.05Å; F645-V653 HydrophobicContact CD1-CG2 3.78Å; F645-V653 HydrophobicContact CE1-CG2 3.22Å; F645-V653 HydrophobicContact CZ-CG2 4.07Å | ||
| 646 | S | 80.9 | Confident | 88.2 | Confident | 40 Ų | 40 | 24.1 Ų | 24.1 | 28% | 0.28 | 13% | 0.129 | S | C | . | . | trans | -66.6 | 158.4 | 169.2 | 92.6 | 0 | 0 | 0 | 0 | 111 | E648 Q649 K650 | S646-E648 PolarHBondContact O-N 3.02Å; S646-E648 PolarHBondContact OG-N 3.3Å; S646-E648 PolarHBondContact OG-OE2 3.49Å; S646-Q649 WeakPolarHBondContact O-CA 3.42Å; S646-Q649 WeakPolarHBondContact O-CB 3.45Å; S646-Q649 PolarHBondContact O-N 2.96Å; S646-Q649 WeakPolarHBondContact OG-CG 3.49Å; S646-Q649 PolarHBondContact OG-N 2.9Å; S646-K650 WeakPolarHBondContact O-CG 3.43Å; S646-K650 PolarHBondContact O-N 2.91Å | ||
| 647 | P | 77.9 | Confident | 88.3 | Confident | 49 Ų | 49 | 24.1 Ų | 24.1 | 32% | 0.318 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -49.4 | -41.3 | 175.7 | -28.9 | 36.5 | 0 | 0 | 0 | 113.9 | K650 A651 N672 | P647-K650 PolarHBondContact O-N 3.4Å; P647-A651 PolarHBondContact O-N 2.85Å; P647-N672 HydrophobicContact CB-CB 4.44Å; P647-N672 WeakPolarHBondContact CB-O 3.22Å; P647-N672 HydrophobicContact CG-CB 3.91Å |
| 648 | E | 81.6 | Confident | 88.5 | Confident | 122 Ų | 122 | 26.5 Ų | 26.5 | 57% | 0.57 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -66.3 | -43.5 | 177.1 | -61.1 | 68.9 | -148.6 | 0 | 0 | 111.2 | S646 K650 A651 Q652 | S646-E648 PolarHBondContact O-N 3.02Å; S646-E648 PolarHBondContact OG-N 3.3Å; S646-E648 PolarHBondContact OG-OE2 3.49Å; E648-K650 VanDerWaalsContact C-N 3.34Å; E648-K650 PolarHBondContact O-N 3.27Å; E648-A651 WeakPolarHBondContact O-CB 3.46Å; E648-A651 PolarHBondContact O-N 3.19Å; E648-Q652 WeakPolarHBondContact O-CG 3.39Å; E648-Q652 PolarHBondContact O-N 3.41Å |
| 649 | Q | 88.3 | Confident | 88.6 | Confident | 20 Ų | 20 | 30.5 Ų | 30.5 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.8 | -37.1 | 178.5 | -63 | 178.3 | -37.5 | 0 | 0 | 111.5 | G618 S622 F645 S646 A651 Q652 V653 | G618-Q649 PolarHBondContact O-NE2 3.08Å; S622-Q649 PolarHBondContact OG-NE2 3.28Å; F645-Q649 HydrophobicContact CB-CB 4.24Å; F645-Q649 HydrophobicContact CD1-CB 3.42Å; F645-Q649 VanDerWaalsContact CD1-CB 3.42Å; F645-Q649 HydrophobicContact CE1-CB 4.05Å; F645-Q649 HydrophobicContact CG-CB 4.16Å; S646-Q649 WeakPolarHBondContact O-CA 3.42Å; S646-Q649 WeakPolarHBondContact O-CB 3.45Å; S646-Q649 PolarHBondContact O-N 2.96Å; S646-Q649 WeakPolarHBondContact OG-CG 3.49Å; S646-Q649 PolarHBondContact OG-N 2.9Å; Q649-A651 VanDerWaalsContact C-N 3.26Å; Q649-A651 PolarHBondContact O-N 3.31Å; Q649-Q652 WeakPolarHBondContact O-CB 3.36Å; Q649-Q652 PolarHBondContact O-N 3.05Å; Q649-Q652 VanDerWaalsContact O-N 3.15Å; Q649-V653 WeakPolarHBondContact O-CG2 3.24Å; Q649-V653 PolarHBondContact O-N 2.92Å |
| 650 | K | 89.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.8 | -44.9 | 172.8 | -60.4 | -164.8 | -178.8 | 178.5 | 0 | 110.5 | D300 V425 F645 S646 P647 E648 I654 N672 D673 A676 | D300-K650 VanDerWaalsContact CG-NZ 3.31Å; D300-K650 IonicContact OD1-NZ 2.91Å; D300-K650 IonicContact OD2-NZ 3.88Å; D300-K650 PolarHBondContact OD2-NZ 3.33Å; V425-K650 HydrophobicContact CG1-CB 4Å; V425-K650 HydrophobicContact CG1-CD 4.32Å; V425-K650 HydrophobicContact CG1-CG 3.82Å; F645-K650 HydrophobicContact CB-CG 4.05Å; S646-K650 WeakPolarHBondContact O-CG 3.43Å; S646-K650 PolarHBondContact O-N 2.91Å; P647-K650 PolarHBondContact O-N 3.4Å; E648-K650 VanDerWaalsContact C-N 3.34Å; E648-K650 PolarHBondContact O-N 3.27Å; K650-I654 WeakPolarHBondContact O-CG1 3.47Å; K650-I654 PolarHBondContact O-N 2.66Å; K650-N672 PolarHBondContact NZ-ND2 3.27Å; K650-D673 WeakPolarHBondContact CD-OD1 3.25Å; K650-D673 IonicContact NZ-OD1 3.92Å; K650-D673 PolarHBondContact NZ-OD1 3.05Å; K650-A676 HydrophobicContact CB-CB 3.88Å |
| 651 | A | 87.9 | Confident | 88.3 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P647 E648 Q649 I654 G655 V679 | P647-A651 PolarHBondContact O-N 2.85Å; E648-A651 WeakPolarHBondContact O-CB 3.46Å; E648-A651 PolarHBondContact O-N 3.19Å; Q649-A651 VanDerWaalsContact C-N 3.26Å; Q649-A651 PolarHBondContact O-N 3.31Å; A651-I654 PolarHBondContact O-N 2.69Å; A651-G655 PolarHBondContact O-N 2.79Å; A651-V679 HydrophobicContact CB-CG2 4.17Å |
| 652 | Q | 90.1 | Very high | 88.3 | Confident | 74 Ų | 74 | 32.7 Ų | 32.7 | 35% | 0.346 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 176.4 | -70.6 | 170.2 | -11.6 | 0 | 0 | 112.1 | E648 Q649 I654 G655 A656 | E648-Q652 WeakPolarHBondContact O-CG 3.39Å; E648-Q652 PolarHBondContact O-N 3.41Å; Q649-Q652 WeakPolarHBondContact O-CB 3.36Å; Q649-Q652 PolarHBondContact O-N 3.05Å; Q649-Q652 VanDerWaalsContact O-N 3.15Å; Q652-I654 VanDerWaalsContact C-N 3.34Å; Q652-I654 PolarHBondContact O-N 3.42Å; Q652-G655 PolarHBondContact O-N 2.91Å; Q652-G655 VanDerWaalsContact O-N 3.16Å; Q652-A656 PolarHBondContact O-N 2.96Å |
| 653 | V | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 177.9 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | V425 W621 F642 F645 Q649 G655 A656 F657 | V425-V653 HydrophobicContact CG2-CG1 4.4Å; W621-V653 HydrophobicContact CD2-CG2 4.11Å; W621-V653 HydrophobicContact CE3-CG2 4.38Å; W621-V653 HydrophobicContact CH2-CG2 4.04Å; W621-V653 HydrophobicContact CZ2-CG2 3.78Å; W621-V653 HydrophobicContact CZ3-CG2 4.35Å; F642-V653 HydrophobicContact CD1-CG1 4.36Å; F642-V653 HydrophobicContact CD1-CG2 4.24Å; F642-V653 HydrophobicContact CD2-CG1 4.37Å; F642-V653 HydrophobicContact CE1-CG1 4.39Å; F642-V653 HydrophobicContact CE2-CG1 4.43Å; F642-V653 HydrophobicContact CG-CG1 4.34Å; F642-V653 HydrophobicContact CZ-CG1 4.43Å; F645-V653 HydrophobicContact CD1-CG2 3.78Å; F645-V653 HydrophobicContact CE1-CG2 3.22Å; F645-V653 HydrophobicContact CZ-CG2 4.07Å; Q649-V653 WeakPolarHBondContact O-CG2 3.24Å; Q649-V653 PolarHBondContact O-N 2.92Å; V653-G655 VanDerWaalsContact C-N 3.33Å; V653-G655 PolarHBondContact O-N 2.91Å; V653-A656 WeakPolarHBondContact O-CB 3.43Å; V653-A656 PolarHBondContact O-N 3.49Å; V653-A656 VanDerWaalsContact O-N 3.11Å; V653-F657 HydrophobicContact CG1-CD2 3.78Å; V653-F657 HydrophobicContact CG1-CE2 3.34Å; V653-F657 HydrophobicContact CG1-CZ 4.23Å; V653-F657 WeakPolarHBondContact O-CD2 3.37Å; V653-F657 PolarHBondContact O-N 3.45Å |
| 654 | I | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 175 | -67.9 | 175.8 | 0 | 0 | 0 | 111 | K650 A651 Q652 A656 F657 Q658 V664 M666 A676 V679 A680 | K650-I654 WeakPolarHBondContact O-CG1 3.47Å; K650-I654 PolarHBondContact O-N 2.66Å; A651-I654 PolarHBondContact O-N 2.69Å; Q652-I654 VanDerWaalsContact C-N 3.34Å; Q652-I654 PolarHBondContact O-N 3.42Å; I654-A656 VanDerWaalsContact C-N 3.28Å; I654-A656 PolarHBondContact O-N 3.08Å; I654-F657 PolarHBondContact O-N 2.84Å; I654-Q658 VanDerWaalsContact O-CG 3.31Å; I654-Q658 WeakPolarHBondContact O-CG 3.42Å; I654-Q658 PolarHBondContact O-N 3.13Å; I654-Q658 VanDerWaalsContact O-N 3.12Å; I654-V664 HydrophobicContact CG2-CB 4.47Å; I654-V664 HydrophobicContact CG2-CG1 4.05Å; I654-M666 HydrophobicContact CD1-CB 3.91Å; I654-M666 HydrophobicContact CD1-CG 3.9Å; I654-M666 HydrophobicContact CD1-SD 3.92Å; I654-A676 HydrophobicContact CD1-CB 3.4Å; I654-A676 VanDerWaalsContact CD1-O 3.28Å; I654-A676 WeakPolarHBondContact CD1-O 3.38Å; I654-V679 HydrophobicContact CB-CG1 4.35Å; I654-V679 HydrophobicContact CG2-CB 4.24Å; I654-V679 HydrophobicContact CG2-CG1 3.89Å; I654-A680 HydrophobicContact CG2-CB 4.12Å |
| 655 | G | 91 | Very high | 88.5 | Confident | 30 Ų | 30 | 30.1 Ų | 30.1 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.9 | -38.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A651 Q652 V653 Q658 S659 | A651-G655 PolarHBondContact O-N 2.79Å; Q652-G655 PolarHBondContact O-N 2.91Å; Q652-G655 VanDerWaalsContact O-N 3.16Å; V653-G655 VanDerWaalsContact C-N 3.33Å; V653-G655 PolarHBondContact O-N 2.91Å; G655-Q658 PolarHBondContact O-N 3.18Å; G655-S659 PolarHBondContact O-N 3.36Å |
| 656 | A | 91.7 | Very high | 88.6 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W621 I632 V636 Q652 V653 I654 Q658 S659 V660 | W621-A656 HydrophobicContact CH2-CB 4.06Å; W621-A656 HydrophobicContact CZ2-CB 4.33Å; I632-A656 HydrophobicContact CG2-CB 3.95Å; V636-A656 HydrophobicContact CG2-CB 3.86Å; Q652-A656 PolarHBondContact O-N 2.96Å; V653-A656 WeakPolarHBondContact O-CB 3.43Å; V653-A656 PolarHBondContact O-N 3.49Å; V653-A656 VanDerWaalsContact O-N 3.11Å; I654-A656 VanDerWaalsContact C-N 3.28Å; I654-A656 PolarHBondContact O-N 3.08Å; A656-Q658 VanDerWaalsContact C-N 3.28Å; A656-Q658 PolarHBondContact O-N 3.31Å; A656-S659 PolarHBondContact O-N 3.46Å; A656-S659 PolarHBondContact O-OG 3.13Å; A656-V660 WeakPolarHBondContact O-CG2 3.33Å; A656-V660 PolarHBondContact O-N 2.94Å |
| 657 | F | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 172.7 | -77.5 | -63.1 | 0 | 0 | 0 | 112.6 | L296 V423 V636 F642 V653 I654 V660 G661 Y662 V664 | L296-F657 HydrophobicContact CD1-CD1 3.44Å; L296-F657 VanDerWaalsContact CD1-CD1 3.44Å; L296-F657 HydrophobicContact CD1-CE1 3.51Å; L296-F657 HydrophobicContact CD1-CG 4.17Å; L296-F657 HydrophobicContact CD1-CZ 4.25Å; L296-F657 HydrophobicContact CD2-CD1 4.32Å; L296-F657 HydrophobicContact CD2-CD2 4.3Å; L296-F657 HydrophobicContact CD2-CE1 4.48Å; L296-F657 HydrophobicContact CD2-CE2 4.44Å; L296-F657 HydrophobicContact CD2-CG 4.27Å; V423-F657 HydrophobicContact CB-CZ 4.33Å; V423-F657 HydrophobicContact CG1-CE2 4.08Å; V423-F657 HydrophobicContact CG1-CZ 3.78Å; V423-F657 HydrophobicContact CG2-CE1 4.32Å; V423-F657 HydrophobicContact CG2-CZ 3.97Å; V636-F657 HydrophobicContact CB-CD1 4.46Å; V636-F657 HydrophobicContact CB-CE1 4.37Å; V636-F657 HydrophobicContact CG1-CB 4.29Å; V636-F657 HydrophobicContact CG1-CD1 3.1Å; V636-F657 HydrophobicContact CG1-CE1 3.36Å; V636-F657 HydrophobicContact CG1-CG 3.73Å; V636-F657 HydrophobicContact CG1-CZ 4.15Å; V636-F657 WeakPolarHBondContact O-CE1 3.2Å; F642-F657 HydrophobicContact CE2-CE2 4.25Å; F642-F657 AromaticContact CE2-CZ 3.72Å; F642-F657 HydrophobicContact CE2-CZ 3.72Å; F642-F657 HydrophobicContact CZ-CZ 4.12Å; V653-F657 HydrophobicContact CG1-CD2 3.78Å; V653-F657 HydrophobicContact CG1-CE2 3.34Å; V653-F657 HydrophobicContact CG1-CZ 4.23Å; V653-F657 WeakPolarHBondContact O-CD2 3.37Å; V653-F657 PolarHBondContact O-N 3.45Å; I654-F657 PolarHBondContact O-N 2.84Å; F657-V660 PolarHBondContact O-N 2.82Å; F657-G661 PolarHBondContact O-N 2.81Å; F657-Y662 HydrophobicContact CD1-CD2 4.18Å; F657-Y662 WeakPolarHBondContact O-CB 3.45Å; F657-Y662 PolarHBondContact O-N 2.97Å; F657-V664 HydrophobicContact CB-CG2 3.45Å; F657-V664 VanDerWaalsContact CB-CG2 3.45Å; F657-V664 HydrophobicContact CG-CG2 4.39Å |
| 658 | Q | 90.7 | Very high | 89.2 | Confident | 53 Ų | 53 | 25.8 Ų | 25.8 | 25% | 0.248 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -37.2 | 179 | -65.8 | 179.7 | 2.6 | 0 | 0 | 112.7 | I654 G655 A656 V660 G661 V664 V679 H681 | I654-Q658 VanDerWaalsContact O-CG 3.31Å; I654-Q658 WeakPolarHBondContact O-CG 3.42Å; I654-Q658 PolarHBondContact O-N 3.13Å; I654-Q658 VanDerWaalsContact O-N 3.12Å; G655-Q658 PolarHBondContact O-N 3.18Å; A656-Q658 VanDerWaalsContact C-N 3.28Å; A656-Q658 PolarHBondContact O-N 3.31Å; Q658-V660 VanDerWaalsContact C-N 3.26Å; Q658-V660 PolarHBondContact O-N 2.93Å; Q658-G661 WeakPolarHBondContact O-CA 3.44Å; Q658-G661 PolarHBondContact O-N 3.36Å; Q658-V664 HydrophobicContact CG-CB 4.47Å; Q658-V664 HydrophobicContact CG-CG2 3.97Å; Q658-V679 PolarHBondContact NE2-O 3.21Å; Q658-H681 PolarHBondContact NE2-ND1 3.11Å |
| 659 | S | 88 | Confident | 88.9 | Confident | 93 Ų | 93 | 22.1 Ų | 22.1 | 65% | 0.65 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -63.9 | -32.5 | 179.9 | 80.2 | 0 | 0 | 0 | 0 | 112.3 | G655 A656 G661 | G655-S659 PolarHBondContact O-N 3.36Å; A656-S659 PolarHBondContact O-N 3.46Å; A656-S659 PolarHBondContact O-OG 3.13Å; S659-G661 PolarHBondContact O-N 3.39Å |
| 660 | V | 87 | Confident | 87.9 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -4 | 174.9 | -162.8 | 0 | 0 | 0 | 0 | 112.4 | P633 V636 V637 A656 F657 Q658 A954 Y955 I958 | P633-V660 HydrophobicContact CB-CG2 4.16Å; V636-V660 HydrophobicContact CG1-CG2 4.4Å; V637-V660 HydrophobicContact CG2-CG1 3.86Å; A656-V660 WeakPolarHBondContact O-CG2 3.33Å; A656-V660 PolarHBondContact O-N 2.94Å; F657-V660 PolarHBondContact O-N 2.82Å; Q658-V660 VanDerWaalsContact C-N 3.26Å; Q658-V660 PolarHBondContact O-N 2.93Å; V660-A954 HydrophobicContact CG1-CB 4.39Å; V660-A954 WeakPolarHBondContact O-CB 3.47Å; V660-Y955 PolarHBondContact O-N 2.81Å; V660-I958 HydrophobicContact CG1-CD1 3.52Å |
| 661 | G | 85.5 | Confident | 86.9 | Confident | 35 Ų | 35 | 22.1 Ų | 22.1 | 36% | 0.361 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 18.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | F657 Q658 S659 | F657-G661 PolarHBondContact O-N 2.81Å; Q658-G661 WeakPolarHBondContact O-CA 3.44Å; Q658-G661 PolarHBondContact O-N 3.36Å; S659-G661 PolarHBondContact O-N 3.39Å |
| 662 | Y | 88.3 | Confident | 86.2 | Confident | 11 Ų | 11 | 22.2 Ų | 22.2 | 4% | 0.043 | 14% | 0.14 | C | C | . | . | trans | -74.7 | 140.7 | 166.2 | -73 | -76 | 0 | 0 | 0 | 110.9 | L296 V637 F657 Y955 | L296-Y662 HydrophobicContact CB-CD1 3.99Å; L296-Y662 HydrophobicContact CB-CG 4.25Å; L296-Y662 HydrophobicContact CD1-CD1 4.13Å; L296-Y662 HydrophobicContact CD1-CD2 4.21Å; L296-Y662 HydrophobicContact CD1-CE1 4.35Å; L296-Y662 HydrophobicContact CD1-CE2 4.41Å; L296-Y662 HydrophobicContact CD1-CG 4.06Å; V637-Y662 HydrophobicContact CG2-CE2 4.31Å; F657-Y662 HydrophobicContact CD1-CD2 4.18Å; F657-Y662 WeakPolarHBondContact O-CB 3.45Å; F657-Y662 PolarHBondContact O-N 2.97Å; Y662-Y955 AromaticContact CD1-CD1 3.92Å; Y662-Y955 HydrophobicContact CD1-CD1 3.92Å; Y662-Y955 HydrophobicContact CD1-CD2 4.46Å; Y662-Y955 AromaticContact CD1-CE1 3.94Å; Y662-Y955 HydrophobicContact CD1-CE1 3.94Å; Y662-Y955 HydrophobicContact CD1-CG 4.19Å; Y662-Y955 HydrophobicContact CD2-CD1 4.19Å; Y662-Y955 HydrophobicContact CD2-CG 4.23Å; Y662-Y955 AromaticContact CE1-CD1 3.84Å; Y662-Y955 HydrophobicContact CE1-CD1 3.84Å; Y662-Y955 AromaticContact CE1-CD2 3.59Å; Y662-Y955 HydrophobicContact CE1-CD2 3.59Å; Y662-Y955 AromaticContact CE1-CE1 3.97Å; Y662-Y955 HydrophobicContact CE1-CE1 3.97Å; Y662-Y955 AromaticContact CE1-CE2 3.76Å; Y662-Y955 HydrophobicContact CE1-CE2 3.76Å; Y662-Y955 AromaticContact CE1-CG 3.65Å; Y662-Y955 HydrophobicContact CE1-CG 3.65Å; Y662-Y955 AromaticContact CE1-CZ 3.95Å; Y662-Y955 HydrophobicContact CE2-CD1 4.12Å; Y662-Y955 HydrophobicContact CE2-CD2 4.24Å; Y662-Y955 AromaticContact CE2-CG 3.69Å; Y662-Y955 HydrophobicContact CE2-CG 3.69Å; Y662-Y955 HydrophobicContact CG-CD1 4.1Å; Y662-Y955 HydrophobicContact CG-CE1 4.45Å; Y662-Y955 HydrophobicContact CG-CG 4.46Å; Y662-Y955 VanDerWaalsContact CZ-CB 3.45Å; Y662-Y955 AromaticContact CZ-CD1 3.95Å; Y662-Y955 AromaticContact CZ-CD2 3.46Å; Y662-Y955 VanDerWaalsContact CZ-CD2 3.46Å; Y662-Y955 AromaticContact CZ-CG 3.37Å; Y662-Y955 VanDerWaalsContact OH-CD2 3.3Å; Y662-Y955 WeakPolarHBondContact OH-CD2 3.2Å | ||
| 663 | F | 89.3 | Confident | 85.7 | Confident | 66 Ų | 66 | 18.7 Ų | 18.7 | 29% | 0.289 | 12% | 0.123 | S | C | . | . | trans | -87.3 | 108.4 | 161.7 | -71.9 | -80.1 | 0 | 0 | 0 | 108.2 | V290 V293 S295 L296 M785 | V290-F663 HydrophobicContact CG1-CD1 4.13Å; V293-F663 HydrophobicContact CG2-CD1 4.2Å; V293-F663 HydrophobicContact CG2-CD2 4.16Å; V293-F663 HydrophobicContact CG2-CG 4.01Å; V293-F663 WeakPolarHBondContact O-CB 3.47Å; S295-F663 PolarHBondContact N-O 2.87Å; S295-F663 PolarHBondContact OG-N 3.44Å; S295-F663 PolarHBondContact OG-O 2.86Å; L296-F663 PolarHBondContact N-O 3.33Å; F663-M785 HydrophobicContact CD1-CE 4.17Å; F663-M785 HydrophobicContact CE1-CE 3.3Å; F663-M785 HydrophobicContact CE2-CE 3.92Å; F663-M785 HydrophobicContact CZ-CE 3.16Å | ||
| 664 | V | 91.8 | Very high | 85 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.2 | -169 | -174 | 0 | 0 | 0 | 0 | 111 | L296 I654 F657 Q658 H681 A682 | L296-V664 HydrophobicContact CD2-CG1 3.9Å; L296-V664 HydrophobicContact CD2-CG2 4.36Å; L296-V664 WeakPolarHBondContact O-CA 3.48Å; I654-V664 HydrophobicContact CG2-CB 4.47Å; I654-V664 HydrophobicContact CG2-CG1 4.05Å; F657-V664 HydrophobicContact CB-CG2 3.45Å; F657-V664 VanDerWaalsContact CB-CG2 3.45Å; F657-V664 HydrophobicContact CG-CG2 4.39Å; Q658-V664 HydrophobicContact CG-CB 4.47Å; Q658-V664 HydrophobicContact CG-CG2 3.97Å; V664-H681 PolarHBondContact N-ND1 3.46Å; V664-H681 WeakPolarHBondContact O-CB 3.38Å; V664-H681 PolarHBondContact O-N 3.28Å; V664-A682 PolarHBondContact O-N 3.22Å |
| 665 | S | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 146.8 | 161.8 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | L296 T297 C298 A682 | L296-S665 PolarHBondContact O-N 3.01Å; T297-S665 CarbonylContact C-O 3.47Å; T297-S665 WeakPolarHBondContact CA-O 3.49Å; C298-S665 PolarHBondContact N-O 3.42Å; S665-A682 WeakPolarHBondContact CA-O 3.38Å; S665-A682 WeakPolarHBondContact CB-O 3.23Å; S665-A682 PolarHBondContact OG-O 3.41Å |
| 666 | M | 91.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.7 | 173.7 | 179.1 | 68.3 | -177.2 | 0 | 0 | 108.2 | C298 D300 I654 D673 A676 L677 A680 A682 G683 I684 | C298-M666 HydrophobicContact CB-SD 3.28Å; C298-M666 WeakPolarHBondContact CB-SD 3.48Å; C298-M666 CarbonylContact O-C 3.54Å; C298-M666 WeakPolarHBondContact O-CA 3.5Å; D300-M666 HydrophobicContact CB-CE 4.22Å; I654-M666 HydrophobicContact CD1-CB 3.91Å; I654-M666 HydrophobicContact CD1-CG 3.9Å; I654-M666 HydrophobicContact CD1-SD 3.92Å; M666-D673 HydrophobicContact CE-CB 4.48Å; M666-A676 HydrophobicContact CE-CB 4.31Å; M666-A676 HydrophobicContact CG-CB 4.21Å; M666-L677 HydrophobicContact CB-CD2 4.13Å; M666-L677 HydrophobicContact CG-CD2 3.87Å; M666-L677 HydrophobicContact CG-CG 4.31Å; M666-L677 VanDerWaalsContact O-CD2 3.32Å; M666-L677 WeakPolarHBondContact O-CD2 3.48Å; M666-A680 HydrophobicContact CB-CB 3.7Å; M666-A682 PolarHBondContact N-O 3.16Å; M666-A682 VanDerWaalsContact N-O 3.1Å; M666-G683 CarbonylContact O-C 3.36Å; M666-G683 WeakPolarHBondContact O-CA 3.41Å; M666-I684 PolarHBondContact O-N 2.72Å |
| 667 | C | 88.8 | Confident | 83.9 | Confident | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.2 | 171.1 | -161.6 | 0 | 0 | 0 | 0 | 108.6 | C298 F299 D300 I684 L686 V707 | C298-C667 PolarHBondContact O-N 3.36Å; F299-C667 HydrophobicContact CD1-CB 3.95Å; F299-C667 HydrophobicContact CE1-CB 4.34Å; D300-C667 PolarHBondContact N-O 3.24Å; C667-I684 WeakPolarHBondContact CA-O 3.4Å; C667-L686 VanDerWaalsContact SG-CG 3.59Å; C667-V707 HydrophobicContact CB-CG2 4.24Å |
| 668 | G | 83.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 162.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D673 I684 S685 L686 | G668-D673 WeakPolarHBondContact CA-OD2 3.34Å; G668-I684 PolarHBondContact N-O 3.49Å; G668-I684 VanDerWaalsContact N-O 3.09Å; G668-S685 CarbonylContact O-C 3.58Å; G668-S685 WeakPolarHBondContact O-CA 3.39Å; G668-L686 PolarHBondContact O-N 2.93Å |
| 669 | D | 75.4 | Confident | 83.2 | Confident | 44 Ų | 44 | 21.6 Ų | 21.6 | 24% | 0.235 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -120 | -28.7 | -178.3 | 60.1 | -13.2 | 0 | 0 | 0 | 112.4 | L686 S687 | D669-L686 HydrophobicContact CB-CB 4.13Å; D669-S687 WeakPolarHBondContact O-CB 3.19Å; D669-S687 PolarHBondContact O-OG 3.45Å |
| 670 | G | 67 | Low | 83.2 | Confident | 9 Ų | 9 | 17.4 Ų | 17.4 | 9% | 0.093 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -94.6 | 170 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | N672 D673 A691 | G670-N672 WeakPolarHBondContact CA-OD1 3.23Å; G670-D673 PolarHBondContact O-N 2.92Å; G670-A691 WeakPolarHBondContact O-CB 3.18Å |
| 671 | A | 67 | Low | 83.3 | Confident | 12 Ų | 12 | 18.7 Ų | 18.7 | 10% | 0.099 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -77.6 | -24.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S128 L129 D673 C674 | S128-A671 WeakPolarHBondContact O-CB 3.21Å; L129-A671 CarbonylContact O-C 3.57Å; L129-A671 WeakPolarHBondContact O-CB 3.44Å; A671-D673 PolarHBondContact O-N 3.21Å; A671-C674 WeakPolarHBondContact O-CB 3.44Å; A671-C674 PolarHBondContact O-N 3.17Å |
| 672 | N | 74.3 | Confident | 83.5 | Confident | 21 Ų | 21 | 17 Ų | 17 | 11% | 0.112 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -54.4 | -29.1 | 166.1 | 52.9 | -9.7 | 0 | 0 | 0 | 113 | T130 P647 K650 G670 C674 | T130-N672 WeakPolarHBondContact O-CB 3.46Å; P647-N672 HydrophobicContact CB-CB 4.44Å; P647-N672 WeakPolarHBondContact CB-O 3.22Å; P647-N672 HydrophobicContact CG-CB 3.91Å; K650-N672 PolarHBondContact NZ-ND2 3.27Å; G670-N672 WeakPolarHBondContact CA-OD1 3.23Å; N672-C674 VanDerWaalsContact C-N 3.32Å |
| 673 | D | 80.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -83.8 | -8.2 | 177.8 | -65.3 | -36.5 | 0 | 0 | 0 | 113.3 | D300 K650 M666 G668 G670 A671 G675 A676 L677 | D300-D673 VanDerWaalsContact CB-OD2 3.25Å; D300-D673 WeakPolarHBondContact CB-OD2 3.5Å; K650-D673 WeakPolarHBondContact CD-OD1 3.25Å; K650-D673 IonicContact NZ-OD1 3.92Å; K650-D673 PolarHBondContact NZ-OD1 3.05Å; M666-D673 HydrophobicContact CE-CB 4.48Å; G668-D673 WeakPolarHBondContact CA-OD2 3.34Å; G670-D673 PolarHBondContact O-N 2.92Å; A671-D673 PolarHBondContact O-N 3.21Å; D673-G675 VanDerWaalsContact C-N 3.32Å; D673-G675 PolarHBondContact O-N 3.07Å; D673-A676 CarbonylContact O-C 3.56Å; D673-A676 WeakPolarHBondContact O-CA 3.31Å; D673-A676 WeakPolarHBondContact O-CB 3.29Å; D673-A676 PolarHBondContact O-N 2.98Å; D673-L677 HydrophobicContact CB-CD1 3.96Å; D673-L677 HydrophobicContact CB-CG 4.06Å; D673-L677 WeakPolarHBondContact O-CB 3.47Å; D673-L677 VanDerWaalsContact O-CG 3.26Å; D673-L677 WeakPolarHBondContact O-CG 3.46Å; D673-L677 PolarHBondContact O-N 3.11Å |
| 674 | C | 76.5 | Confident | 83.7 | Confident | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.02 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.2 | -43.8 | -171.8 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | L194 A671 N672 A676 K678 A694 | L194-C674 HydrophobicContact CD1-CB 4.01Å; L194-C674 WeakPolarHBondContact CD1-SG 3.46Å; L194-C674 HydrophobicContact CD2-CB 4.49Å; A671-C674 WeakPolarHBondContact O-CB 3.44Å; A671-C674 PolarHBondContact O-N 3.17Å; N672-C674 VanDerWaalsContact C-N 3.32Å; C674-A676 PolarHBondContact O-N 3.1Å; C674-K678 VanDerWaalsContact O-CB 3.31Å; C674-K678 WeakPolarHBondContact O-CB 3.35Å; C674-K678 PolarHBondContact O-N 2.88Å; C674-K678 VanDerWaalsContact O-N 3.12Å; C674-A694 WeakPolarHBondContact SG-CB 3.45Å |
| 675 | G | 78.1 | Confident | 83.4 | Confident | 30 Ų | 30 | 13.4 Ų | 13.4 | 31% | 0.309 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -62.5 | -42 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D673 V679 | D673-G675 VanDerWaalsContact C-N 3.32Å; D673-G675 PolarHBondContact O-N 3.07Å; G675-V679 WeakPolarHBondContact O-CG2 3.32Å; G675-V679 PolarHBondContact O-N 3.46Å; G675-V679 VanDerWaalsContact O-N 3.11Å |
| 676 | A | 87.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.3 | -48.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K650 I654 M666 D673 C674 K678 V679 A680 | K650-A676 HydrophobicContact CB-CB 3.88Å; I654-A676 HydrophobicContact CD1-CB 3.4Å; I654-A676 VanDerWaalsContact CD1-O 3.28Å; I654-A676 WeakPolarHBondContact CD1-O 3.38Å; M666-A676 HydrophobicContact CE-CB 4.31Å; M666-A676 HydrophobicContact CG-CB 4.21Å; D673-A676 CarbonylContact O-C 3.56Å; D673-A676 WeakPolarHBondContact O-CA 3.31Å; D673-A676 WeakPolarHBondContact O-CB 3.29Å; D673-A676 PolarHBondContact O-N 2.98Å; C674-A676 PolarHBondContact O-N 3.1Å; A676-K678 PolarHBondContact O-N 2.83Å; A676-V679 PolarHBondContact O-N 2.91Å; A676-A680 WeakPolarHBondContact O-CB 3.37Å; A676-A680 PolarHBondContact O-N 3.29Å |
| 677 | L | 88.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.2 | -38.6 | 175.8 | -71.9 | 170.2 | 0 | 0 | 0 | 111.8 | M666 D673 G683 I684 | M666-L677 HydrophobicContact CB-CD2 4.13Å; M666-L677 HydrophobicContact CG-CD2 3.87Å; M666-L677 HydrophobicContact CG-CG 4.31Å; M666-L677 VanDerWaalsContact O-CD2 3.32Å; M666-L677 WeakPolarHBondContact O-CD2 3.48Å; D673-L677 HydrophobicContact CB-CD1 3.96Å; D673-L677 HydrophobicContact CB-CG 4.06Å; D673-L677 WeakPolarHBondContact O-CB 3.47Å; D673-L677 VanDerWaalsContact O-CG 3.26Å; D673-L677 WeakPolarHBondContact O-CG 3.46Å; D673-L677 PolarHBondContact O-N 3.11Å; L677-G683 WeakPolarHBondContact O-CA 3.3Å; L677-I684 VanDerWaalsContact CD2-O 3.31Å; L677-I684 WeakPolarHBondContact CD2-O 3.34Å |
| 678 | K | 81.5 | Confident | 80.8 | Confident | 66 Ų | 66 | 21.8 Ų | 21.8 | 29% | 0.287 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -72.6 | -41.8 | 178.5 | -177 | -172.8 | 174.3 | -169.1 | 0 | 113.3 | S197 C674 A676 A680 A694 | S197-K678 VanDerWaalsContact CA-NZ 3.31Å; S197-K678 WeakPolarHBondContact O-CE 3.3Å; S197-K678 PolarHBondContact O-NZ 3.4Å; S197-K678 PolarHBondContact OG-NZ 3.33Å; C674-K678 VanDerWaalsContact O-CB 3.31Å; C674-K678 WeakPolarHBondContact O-CB 3.35Å; C674-K678 PolarHBondContact O-N 2.88Å; C674-K678 VanDerWaalsContact O-N 3.12Å; A676-K678 PolarHBondContact O-N 2.83Å; K678-A680 VanDerWaalsContact C-N 3.33Å; K678-A694 HydrophobicContact CB-CB 4.48Å |
| 679 | V | 86.2 | Confident | 79.7 | Confident | 56 Ų | 56 | 24.2 Ų | 24.2 | 34% | 0.339 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -71.1 | -33.7 | 179.5 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | A651 I654 Q658 G675 A676 | A651-V679 HydrophobicContact CB-CG2 4.17Å; I654-V679 HydrophobicContact CB-CG1 4.35Å; I654-V679 HydrophobicContact CG2-CB 4.24Å; I654-V679 HydrophobicContact CG2-CG1 3.89Å; Q658-V679 PolarHBondContact NE2-O 3.21Å; G675-V679 WeakPolarHBondContact O-CG2 3.32Å; G675-V679 PolarHBondContact O-N 3.46Å; G675-V679 VanDerWaalsContact O-N 3.11Å; A676-V679 PolarHBondContact O-N 2.91Å |
| 680 | A | 89.7 | Confident | 78.9 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -55.4 | 146.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I654 M666 A676 K678 A682 | I654-A680 HydrophobicContact CG2-CB 4.12Å; M666-A680 HydrophobicContact CB-CB 3.7Å; A676-A680 WeakPolarHBondContact O-CB 3.37Å; A676-A680 PolarHBondContact O-N 3.29Å; K678-A680 VanDerWaalsContact C-N 3.33Å; A680-A682 PolarHBondContact O-N 3.04Å |
| 681 | H | 89.3 | Confident | 78.4 | Confident | 31 Ų | 31 | 23.2 Ų | 23.2 | 14% | 0.144 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -63.7 | -34.2 | 175.3 | -70.6 | 100.1 | 0 | 0 | 0 | 111 | V287 V290 Q658 V664 | V287-H681 WeakPolarHBondContact CG1-O 3.29Å; V290-H681 HydrophobicContact CG1-CB 3.91Å; Q658-H681 PolarHBondContact NE2-ND1 3.11Å; V664-H681 PolarHBondContact N-ND1 3.46Å; V664-H681 WeakPolarHBondContact O-CB 3.38Å; V664-H681 PolarHBondContact O-N 3.28Å |
| 682 | A | 89.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 93.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V287 I294 V664 S665 M666 A680 F697 | V287-A682 HydrophobicContact CG1-CB 4.03Å; I294-A682 HydrophobicContact CD1-CB 3.98Å; V664-A682 PolarHBondContact O-N 3.22Å; S665-A682 WeakPolarHBondContact CA-O 3.38Å; S665-A682 WeakPolarHBondContact CB-O 3.23Å; S665-A682 PolarHBondContact OG-O 3.41Å; M666-A682 PolarHBondContact N-O 3.16Å; M666-A682 VanDerWaalsContact N-O 3.1Å; A680-A682 PolarHBondContact O-N 3.04Å; A682-F697 HydrophobicContact CB-CE2 4.18Å |
| 683 | G | 89.9 | Confident | 78 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 135.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M666 L677 P696 F697 | M666-G683 CarbonylContact O-C 3.36Å; M666-G683 WeakPolarHBondContact O-CA 3.41Å; L677-G683 WeakPolarHBondContact O-CA 3.3Å; G683-P696 VanDerWaalsContact O-CD 3.24Å; G683-P696 WeakPolarHBondContact O-CD 3.46Å; G683-P696 WeakPolarHBondContact O-CG 3.37Å; G683-F697 PolarHBondContact O-N 3Å |
| 684 | I | 90.1 | Very high | 77.4 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 114.3 | -179.6 | -52.2 | 166.1 | 0 | 0 | 0 | 108.7 | M666 C667 G668 L677 F697 V707 L710 | M666-I684 PolarHBondContact O-N 2.72Å; C667-I684 WeakPolarHBondContact CA-O 3.4Å; G668-I684 PolarHBondContact N-O 3.49Å; G668-I684 VanDerWaalsContact N-O 3.09Å; L677-I684 VanDerWaalsContact CD2-O 3.31Å; L677-I684 WeakPolarHBondContact CD2-O 3.34Å; I684-F697 CarbonylContact C-O 3.56Å; I684-F697 WeakPolarHBondContact CA-O 3.36Å; I684-F697 HydrophobicContact CG1-CB 4.35Å; I684-V707 HydrophobicContact CD1-CB 4.49Å; I684-V707 HydrophobicContact CD1-CG2 3.85Å; I684-L710 HydrophobicContact CD1-CD2 3.55Å; I684-L710 HydrophobicContact CG1-CD2 3.72Å |
| 685 | S | 87.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.1 | 170 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | G668 S687 S692 S695 F697 T698 S699 | G668-S685 CarbonylContact O-C 3.58Å; G668-S685 WeakPolarHBondContact O-CA 3.39Å; S685-S687 PolarHBondContact OG-N 3.12Å; S685-S687 PolarHBondContact OG-O 3.32Å; S685-S692 PolarHBondContact OG-N 3.45Å; S685-S695 WeakPolarHBondContact CB-OG 3.26Å; S685-F697 PolarHBondContact N-O 2.99Å; S685-T698 CarbonylContact O-C 3.59Å; S685-T698 WeakPolarHBondContact O-CA 3.26Å; S685-S699 PolarHBondContact O-N 3.32Å |
| 686 | L | 81 | Confident | 77.8 | Confident | 24 Ų | 24 | 22.8 Ų | 22.8 | 13% | 0.126 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -89.8 | -2.5 | 173.4 | -63.7 | -179.9 | 0 | 0 | 0 | 113.6 | C667 G668 D669 S699 N703 I704 C706 | C667-L686 VanDerWaalsContact SG-CG 3.59Å; G668-L686 PolarHBondContact O-N 2.93Å; D669-L686 HydrophobicContact CB-CB 4.13Å; L686-S699 CarbonylContact C-O 3.56Å; L686-N703 WeakPolarHBondContact CD2-O 3.41Å; L686-I704 HydrophobicContact CD1-CG2 4.4Å; L686-C706 VanDerWaalsContact CD2-SG 3.55Å |
| 687 | S | 69.8 | Low | 77.9 | Confident | 18 Ų | 18 | 22.8 Ų | 22.8 | 13% | 0.126 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -123.4 | 152.5 | 179.1 | 72.5 | 0 | 0 | 0 | 0 | 111.1 | D669 S685 A689 T698 | D669-S687 WeakPolarHBondContact O-CB 3.19Å; D669-S687 PolarHBondContact O-OG 3.45Å; S685-S687 PolarHBondContact OG-N 3.12Å; S685-S687 PolarHBondContact OG-O 3.32Å; S687-A689 PolarHBondContact O-N 3.4Å; S687-T698 WeakPolarHBondContact O-CG2 3.4Å |
| 688 | E | 65.4 | Low | 77.8 | Confident | 135 Ų | 135 | 23.5 Ų | 23.5 | 63% | 0.631 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -79.1 | 1.1 | 168.8 | -64.9 | -169.6 | 166.7 | 0 | 0 | 112.3 | S692 K700 | E688-S692 PolarHBondContact O-OG 2.97Å; E688-K700 WeakPolarHBondContact OE1-CE 3.39Å; E688-K700 WeakPolarHBondContact OE1-CG 3.31Å; E688-K700 IonicContact OE1-NZ 2.81Å |
| 689 | A | 60.5 | Low | 78 | Confident | 54 Ų | 54 | 20.4 Ų | 20.4 | 45% | 0.446 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -66.8 | -178.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S687 A691 S692 | S687-A689 PolarHBondContact O-N 3.4Å; A689-A691 PolarHBondContact O-N 3.5Å; A689-S692 VanDerWaalsContact O-CB 3.23Å; A689-S692 WeakPolarHBondContact O-CB 3.41Å; A689-S692 PolarHBondContact O-N 2.87Å; A689-S692 PolarHBondContact O-OG 3.42Å |
| 690 | E | 57.8 | Low | 77.8 | Confident | 30 Ų | 30 | 23 Ų | 23 | 14% | 0.14 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -25.6 | -175.5 | -59.7 | -166.9 | 164.1 | 0 | 0 | 113.9 | K191 S692 I693 | K191-E690 WeakPolarHBondContact CE-OE1 3.38Å; K191-E690 IonicContact NZ-OE1 3.88Å; K191-E690 PolarHBondContact NZ-OE1 3.37Å; E690-S692 PolarHBondContact O-N 3.43Å; E690-I693 HydrophobicContact CB-CD1 4.32Å; E690-I693 VanDerWaalsContact O-CB 3.28Å; E690-I693 WeakPolarHBondContact O-CB 3.33Å; E690-I693 VanDerWaalsContact O-CG1 3.24Å; E690-I693 WeakPolarHBondContact O-CG1 3.22Å; E690-I693 PolarHBondContact O-N 3.22Å |
| 691 | A | 57.2 | Low | 77.2 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.1 | -31.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | G670 A689 I693 A694 S695 | G670-A691 WeakPolarHBondContact O-CB 3.18Å; A689-A691 PolarHBondContact O-N 3.5Å; A691-I693 PolarHBondContact O-N 3.38Å; A691-A694 PolarHBondContact O-N 3.02Å; A691-S695 PolarHBondContact O-N 2.84Å |
| 692 | S | 65.9 | Low | 76.4 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -29.7 | 176.6 | 67.1 | 0 | 0 | 0 | 0 | 113 | S685 E688 A689 E690 A694 S695 | S685-S692 PolarHBondContact OG-N 3.45Å; E688-S692 PolarHBondContact O-OG 2.97Å; A689-S692 VanDerWaalsContact O-CB 3.23Å; A689-S692 WeakPolarHBondContact O-CB 3.41Å; A689-S692 PolarHBondContact O-N 2.87Å; A689-S692 PolarHBondContact O-OG 3.42Å; E690-S692 PolarHBondContact O-N 3.43Å; S692-A694 VanDerWaalsContact C-N 3.29Å; S692-A694 PolarHBondContact O-N 3.28Å; S692-S695 PolarHBondContact O-N 3.1Å; S692-S695 PolarHBondContact O-OG 2.95Å; S692-S695 VanDerWaalsContact O-OG 3.05Å |
| 693 | I | 66.4 | Low | 75.5 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | -176.4 | -50.7 | 176.2 | 0 | 0 | 0 | 109.4 | L66 T69 V70 I198 E690 A691 | L66-I693 HydrophobicContact CD1-CG2 4.23Å; T69-I693 HydrophobicContact CG2-CD1 4.01Å; T69-I693 HydrophobicContact CG2-CG1 3.79Å; V70-I693 HydrophobicContact CG2-CG2 4.12Å; I198-I693 HydrophobicContact CD1-CB 3.77Å; I198-I693 HydrophobicContact CD1-CG2 3.51Å; I198-I693 HydrophobicContact CG2-CG2 4.16Å; I198-I693 WeakPolarHBondContact CG2-O 3.25Å; E690-I693 HydrophobicContact CB-CD1 4.32Å; E690-I693 VanDerWaalsContact O-CB 3.28Å; E690-I693 WeakPolarHBondContact O-CB 3.33Å; E690-I693 VanDerWaalsContact O-CG1 3.24Å; E690-I693 WeakPolarHBondContact O-CG1 3.22Å; E690-I693 PolarHBondContact O-N 3.22Å; A691-I693 PolarHBondContact O-N 3.38Å |
| 694 | A | 67.6 | Low | 74.9 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -87 | -25.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | I198 C674 K678 A691 S692 | I198-A694 HydrophobicContact CD1-CB 3.72Å; I198-A694 HydrophobicContact CG1-CB 3.77Å; C674-A694 WeakPolarHBondContact SG-CB 3.45Å; K678-A694 HydrophobicContact CB-CB 4.48Å; A691-A694 PolarHBondContact O-N 3.02Å; S692-A694 VanDerWaalsContact C-N 3.29Å; S692-A694 PolarHBondContact O-N 3.28Å |
| 695 | S | 79.6 | Confident | 74.4 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | trans | -77.7 | 134.5 | 179.3 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | S685 A691 S692 F697 | S685-S695 WeakPolarHBondContact CB-OG 3.26Å; A691-S695 PolarHBondContact O-N 2.84Å; S692-S695 PolarHBondContact O-N 3.1Å; S692-S695 PolarHBondContact O-OG 2.95Å; S692-S695 VanDerWaalsContact O-OG 3.05Å; S695-F697 VanDerWaalsContact CB-O 3.32Å; S695-F697 WeakPolarHBondContact CB-O 3.38Å; S695-F697 PolarHBondContact O-N 3.29Å; S695-F697 PolarHBondContact OG-O 3.43Å | ||
| 696 | P | 83.4 | Confident | 74.3 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -65.1 | -20.4 | 170.2 | 25 | -33.8 | 0 | 0 | 0 | 113.2 | C282 I283 N284 V287 G683 | C282-P696 WeakPolarHBondContact CA-O 3.23Å; I283-P696 PolarHBondContact N-O 3.29Å; N284-P696 HydrophobicContact CB-CB 4.06Å; V287-P696 HydrophobicContact CB-CB 4.42Å; V287-P696 HydrophobicContact CG1-CG 4.37Å; V287-P696 HydrophobicContact CG2-CB 4.11Å; V287-P696 HydrophobicContact CG2-CG 4.47Å; G683-P696 VanDerWaalsContact O-CD 3.24Å; G683-P696 WeakPolarHBondContact O-CD 3.46Å; G683-P696 WeakPolarHBondContact O-CG 3.37Å |
| 697 | F | 88.8 | Confident | 74.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137.6 | 177.2 | -55.4 | -79.7 | 0 | 0 | 0 | 112 | Y281 C282 V287 M288 C291 A682 G683 I684 S685 S695 L710 | Y281-F697 CarbonylContact O-C 3.58Å; Y281-F697 VanDerWaalsContact O-CA 3.26Å; Y281-F697 WeakPolarHBondContact O-CA 3.4Å; C282-F697 HydrophobicContact CB-CD1 3.77Å; C282-F697 HydrophobicContact CB-CE1 3.76Å; C282-F697 WeakPolarHBondContact SG-CE1 3.43Å; V287-F697 HydrophobicContact CB-CE2 4.16Å; V287-F697 HydrophobicContact CB-CZ 4.17Å; V287-F697 HydrophobicContact CG1-CE2 3.65Å; V287-F697 HydrophobicContact CG1-CZ 4.06Å; M288-F697 HydrophobicContact CE-CE1 3.77Å; M288-F697 HydrophobicContact CE-CZ 4.41Å; C291-F697 WeakPolarHBondContact SG-CE2 3.33Å; C291-F697 VanDerWaalsContact SG-CZ 3.56Å; A682-F697 HydrophobicContact CB-CE2 4.18Å; G683-F697 PolarHBondContact O-N 3Å; I684-F697 CarbonylContact C-O 3.56Å; I684-F697 WeakPolarHBondContact CA-O 3.36Å; I684-F697 HydrophobicContact CG1-CB 4.35Å; S685-F697 PolarHBondContact N-O 2.99Å; S695-F697 VanDerWaalsContact CB-O 3.32Å; S695-F697 WeakPolarHBondContact CB-O 3.38Å; S695-F697 PolarHBondContact O-N 3.29Å; S695-F697 PolarHBondContact OG-O 3.43Å; F697-L710 HydrophobicContact CB-CD2 4.45Å; F697-L710 HydrophobicContact CD1-CD1 3.78Å; F697-L710 HydrophobicContact CD1-CD2 4.34Å; F697-L710 HydrophobicContact CD2-CD2 3.77Å; F697-L710 HydrophobicContact CE1-CD1 3.64Å; F697-L710 HydrophobicContact CE2-CD1 4.4Å; F697-L710 HydrophobicContact CE2-CD2 4.05Å; F697-L710 HydrophobicContact CG-CD1 4.22Å; F697-L710 HydrophobicContact CG-CD2 3.93Å; F697-L710 HydrophobicContact CZ-CD1 3.98Å; F697-L710 HydrophobicContact CZ-CD2 4.45Å |
| 698 | T | 87.4 | Confident | 75.4 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.2 | 176.1 | -47.6 | 0 | 0 | 0 | 0 | 109.2 | I280 Y281 S685 S687 | I280-T698 CarbonylContact C-O 3.43Å; I280-T698 WeakPolarHBondContact CA-O 3.35Å; Y281-T698 PolarHBondContact N-O 3.4Å; Y281-T698 PolarHBondContact O-N 3.01Å; S685-T698 CarbonylContact O-C 3.59Å; S685-T698 WeakPolarHBondContact O-CA 3.26Å; S687-T698 WeakPolarHBondContact O-CG2 3.4Å |
| 699 | S | 85.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.1 | 172 | -163.2 | 0 | 0 | 0 | 0 | 110.3 | S685 L686 I701 | S685-S699 PolarHBondContact O-N 3.32Å; L686-S699 CarbonylContact C-O 3.56Å; S699-I701 VanDerWaalsContact C-N 3.29Å; S699-I701 PolarHBondContact OG-N 3.22Å; S699-I701 PolarHBondContact OG-O 2.88Å |
| 700 | K | 81.3 | Confident | 78 | Confident | 110 Ų | 110 | 34.6 Ų | 34.6 | 48% | 0.478 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -74.3 | -23 | 170.1 | -72.4 | -168.7 | 169 | -162.6 | 0 | 113.2 | G279 Y281 E688 | G279-K700 PolarHBondContact O-N 3.27Å; Y281-K700 HydrophobicContact CD2-CG 4.27Å; Y281-K700 HydrophobicContact CE2-CD 3.61Å; Y281-K700 HydrophobicContact CE2-CG 3.71Å; Y281-K700 VanDerWaalsContact OH-CE 3.24Å; Y281-K700 WeakPolarHBondContact OH-CE 3.34Å; Y281-K700 PolarHBondContact OH-NZ 3.2Å; E688-K700 WeakPolarHBondContact OE1-CE 3.39Å; E688-K700 WeakPolarHBondContact OE1-CG 3.31Å; E688-K700 IonicContact OE1-NZ 2.81Å |
| 701 | I | 79 | Confident | 79.6 | Confident | 78 Ų | 78 | 33.2 Ų | 33.2 | 40% | 0.4 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -94 | 122.6 | -176.8 | -54.6 | 174 | 0 | 0 | 0 | 107.1 | S699 N703 | S699-I701 VanDerWaalsContact C-N 3.29Å; S699-I701 PolarHBondContact OG-N 3.22Å; S699-I701 PolarHBondContact OG-O 2.88Å; I701-N703 HydrophobicContact CG2-CB 4.32Å; I701-N703 VanDerWaalsContact CG2-CG 3.42Å; I701-N703 WeakPolarHBondContact CG2-ND2 3.44Å; I701-N703 WeakPolarHBondContact CG2-OD1 3.33Å; I701-N703 PolarHBondContact O-N 3.38Å |
| 702 | R | 71.6 | Confident | 81.1 | Confident | 200 Ų | 200 | 34.2 Ų | 34.2 | 76% | 0.755 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -75.2 | 45.6 | 179.8 | -60.9 | -173 | -175.5 | -178 | 1.7 | 113 | ||
| 703 | N | 70.2 | Confident | 82.4 | Confident | 62 Ų | 62 | 34.2 Ų | 34.2 | 33% | 0.332 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -136.6 | 157.9 | 175.3 | 71.3 | 22.9 | 0 | 0 | 0 | 111.6 | L686 I701 S705 C706 | L686-N703 WeakPolarHBondContact CD2-O 3.41Å; I701-N703 HydrophobicContact CG2-CB 4.32Å; I701-N703 VanDerWaalsContact CG2-CG 3.42Å; I701-N703 WeakPolarHBondContact CG2-ND2 3.44Å; I701-N703 WeakPolarHBondContact CG2-OD1 3.33Å; I701-N703 PolarHBondContact O-N 3.38Å; N703-S705 PolarHBondContact O-N 3.45Å; N703-S705 VanDerWaalsContact O-N 3.15Å; N703-S705 VanDerWaalsContact OD1-CB 3.28Å; N703-S705 WeakPolarHBondContact OD1-CB 3.44Å; N703-S705 PolarHBondContact OD1-N 3.15Å; N703-S705 PolarHBondContact OD1-OG 2.93Å; N703-C706 PolarHBondContact O-SG 3.36Å |
| 704 | I | 77.9 | Confident | 83.6 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 9% | 0.092 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 4.4 | -178.1 | 61.1 | 168.8 | 0 | 0 | 0 | 113.8 | F299 Y411 V412 L686 C706 V707 P708 | F299-I704 HydrophobicContact CD1-CG2 4.2Å; F299-I704 HydrophobicContact CE1-CB 4.34Å; F299-I704 HydrophobicContact CE1-CG2 4.22Å; Y411-I704 HydrophobicContact CD2-CG1 4.37Å; V412-I704 HydrophobicContact CG2-CD1 3.73Å; L686-I704 HydrophobicContact CD1-CG2 4.4Å; I704-C706 PolarHBondContact O-N 2.91Å; I704-V707 PolarHBondContact O-N 3.15Å; I704-V707 VanDerWaalsContact O-N 3.15Å; I704-P708 WeakPolarHBondContact O-CD 3.41Å |
| 705 | S | 78.8 | Confident | 84.8 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.1 | 179.1 | 77.3 | 0 | 0 | 0 | 0 | 112.7 | Y411 N703 V707 P708 | Y411-S705 VanDerWaalsContact CZ-CB 3.44Å; N703-S705 PolarHBondContact O-N 3.45Å; N703-S705 VanDerWaalsContact O-N 3.15Å; N703-S705 VanDerWaalsContact OD1-CB 3.28Å; N703-S705 WeakPolarHBondContact OD1-CB 3.44Å; N703-S705 PolarHBondContact OD1-N 3.15Å; N703-S705 PolarHBondContact OD1-OG 2.93Å; S705-V707 VanDerWaalsContact C-N 3.26Å; S705-V707 PolarHBondContact O-N 3.04Å; S705-P708 WeakPolarHBondContact O-CD 3.29Å |
| 706 | C | 85.1 | Confident | 85.4 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.3 | -31.4 | 176.6 | 62 | 0 | 0 | 0 | 0 | 112.6 | I280 L686 N703 I704 L710 | I280-C706 HydrophobicContact CD1-CB 3.62Å; I280-C706 HydrophobicContact CG1-CB 3.97Å; L686-C706 VanDerWaalsContact CD2-SG 3.55Å; N703-C706 PolarHBondContact O-SG 3.36Å; I704-C706 PolarHBondContact O-N 2.91Å; C706-L710 WeakPolarHBondContact O-CB 3.34Å; C706-L710 PolarHBondContact O-N 3.45Å |
| 707 | V | 88 | Confident | 85.8 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.4 | -61.3 | -176.6 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | T297 F299 C667 I684 I704 S705 R709 L710 I711 | T297-V707 HydrophobicContact CG2-CG1 3.98Å; F299-V707 HydrophobicContact CE1-CG2 4.05Å; F299-V707 HydrophobicContact CZ-CG1 4.48Å; C667-V707 HydrophobicContact CB-CG2 4.24Å; I684-V707 HydrophobicContact CD1-CB 4.49Å; I684-V707 HydrophobicContact CD1-CG2 3.85Å; I704-V707 PolarHBondContact O-N 3.15Å; I704-V707 VanDerWaalsContact O-N 3.15Å; S705-V707 VanDerWaalsContact C-N 3.26Å; S705-V707 PolarHBondContact O-N 3.04Å; V707-R709 PolarHBondContact O-N 3.42Å; V707-L710 PolarHBondContact O-N 3.46Å; V707-I711 HydrophobicContact CG1-CD1 3.89Å; V707-I711 VanDerWaalsContact O-CG1 3.3Å; V707-I711 WeakPolarHBondContact O-CG1 3.38Å; V707-I711 PolarHBondContact O-N 3.39Å |
| 708 | P | 86.3 | Confident | 85.8 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -34.2 | -179.5 | 22.1 | -31.9 | 0 | 0 | 0 | 112.3 | Y411 C414 I704 S705 I711 S712 | Y411-P708 HydrophobicContact CD1-CG 3.67Å; Y411-P708 HydrophobicContact CE1-CG 4.44Å; Y411-P708 HydrophobicContact CG-CG 4.34Å; C414-P708 HydrophobicContact CB-CB 4.47Å; I704-P708 WeakPolarHBondContact O-CD 3.41Å; S705-P708 WeakPolarHBondContact O-CD 3.29Å; P708-I711 PolarHBondContact O-N 3.29Å; P708-S712 WeakPolarHBondContact O-CB 3.44Å; P708-S712 PolarHBondContact O-N 3.23Å; P708-S712 PolarHBondContact O-OG 3.33Å |
| 709 | R | 88.1 | Confident | 86 | Confident | 110 Ų | 110 | 32.9 Ų | 32.9 | 42% | 0.415 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 175.7 | 179.5 | 161.8 | -87.9 | 157.7 | -9.6 | 111.7 | L275 H278 V707 I711 S712 E713 | L275-R709 HydrophobicContact CD2-CG 4.21Å; H278-R709 PolarHBondContact CD2-NH1 3.45Å; H278-R709 VanDerWaalsContact NE2-CZ 3.35Å; H278-R709 PolarHBondContact NE2-NH2 3.48Å; V707-R709 PolarHBondContact O-N 3.42Å; R709-I711 VanDerWaalsContact C-N 3.34Å; R709-I711 PolarHBondContact O-N 3.09Å; R709-S712 PolarHBondContact O-N 2.9Å; R709-S712 PolarHBondContact O-OG 3.25Å; R709-E713 PolarHBondContact O-N 2.78Å |
| 710 | L | 91.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 175.9 | 179.5 | 65.3 | 0 | 0 | 0 | 111.5 | L275 M288 C291 I684 F697 C706 V707 E713 G714 | L275-L710 HydrophobicContact CD1-CD1 3.7Å; L275-L710 HydrophobicContact CD2-CD1 4.37Å; M288-L710 HydrophobicContact SD-CD1 4.44Å; C291-L710 HydrophobicContact CB-CG 4.35Å; I684-L710 HydrophobicContact CD1-CD2 3.55Å; I684-L710 HydrophobicContact CG1-CD2 3.72Å; F697-L710 HydrophobicContact CB-CD2 4.45Å; F697-L710 HydrophobicContact CD1-CD1 3.78Å; F697-L710 HydrophobicContact CD1-CD2 4.34Å; F697-L710 HydrophobicContact CD2-CD2 3.77Å; F697-L710 HydrophobicContact CE1-CD1 3.64Å; F697-L710 HydrophobicContact CE2-CD1 4.4Å; F697-L710 HydrophobicContact CE2-CD2 4.05Å; F697-L710 HydrophobicContact CG-CD1 4.22Å; F697-L710 HydrophobicContact CG-CD2 3.93Å; F697-L710 HydrophobicContact CZ-CD1 3.98Å; F697-L710 HydrophobicContact CZ-CD2 4.45Å; C706-L710 WeakPolarHBondContact O-CB 3.34Å; C706-L710 PolarHBondContact O-N 3.45Å; V707-L710 PolarHBondContact O-N 3.46Å; L710-E713 PolarHBondContact O-N 3.48Å; L710-G714 PolarHBondContact O-N 3.46Å |
| 711 | I | 91.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 179 | -60.6 | 172.3 | 0 | 0 | 0 | 110.6 | I294 I420 V707 P708 R709 E713 G714 R715 L778 | I294-I711 HydrophobicContact CB-CD1 4.44Å; I294-I711 HydrophobicContact CD1-CD1 4.36Å; I294-I711 HydrophobicContact CD1-CG1 3.88Å; I294-I711 HydrophobicContact CG2-CD1 4.23Å; I420-I711 HydrophobicContact CD1-CD1 3.68Å; I420-I711 HydrophobicContact CD1-CG2 3.92Å; V707-I711 HydrophobicContact CG1-CD1 3.89Å; V707-I711 VanDerWaalsContact O-CG1 3.3Å; V707-I711 WeakPolarHBondContact O-CG1 3.38Å; V707-I711 PolarHBondContact O-N 3.39Å; P708-I711 PolarHBondContact O-N 3.29Å; R709-I711 VanDerWaalsContact C-N 3.34Å; R709-I711 PolarHBondContact O-N 3.09Å; I711-E713 PolarHBondContact O-N 3.23Å; I711-G714 PolarHBondContact O-N 3.49Å; I711-R715 WeakPolarHBondContact O-CG 3.48Å; I711-R715 PolarHBondContact O-N 3.46Å; I711-L778 HydrophobicContact CB-CD1 4.39Å; I711-L778 HydrophobicContact CG2-CD1 3.87Å; I711-L778 HydrophobicContact CG2-CD2 4.23Å |
| 712 | S | 90 | Very high | 87.1 | Confident | 22 Ų | 22 | 24.5 Ų | 24.5 | 15% | 0.154 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 177.4 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | P708 R709 R715 C716 | P708-S712 WeakPolarHBondContact O-CB 3.44Å; P708-S712 PolarHBondContact O-N 3.23Å; P708-S712 PolarHBondContact O-OG 3.33Å; R709-S712 PolarHBondContact O-N 2.9Å; R709-S712 PolarHBondContact O-OG 3.25Å; S712-R715 PolarHBondContact O-N 3.29Å; S712-C716 PolarHBondContact O-N 3.47Å |
| 713 | E | 92.3 | Very high | 88 | Confident | 14 Ų | 14 | 15 Ų | 15 | 7% | 0.065 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.8 | -38.3 | 176.3 | -75.3 | -70 | 172.2 | 0 | 0 | 111.5 | R274 L275 R709 L710 I711 R715 C716 A717 A774 | R274-E713 IonicContact CZ-OE2 3.04Å; R274-E713 VanDerWaalsContact CZ-OE2 3.26Å; R274-E713 IonicContact NE-OE1 3.11Å; R274-E713 PolarHBondContact NE-OE1 3.01Å; R274-E713 IonicContact NE-OE2 2.77Å; R274-E713 PolarHBondContact NE-OE2 3.06Å; R274-E713 IonicContact NH2-OE2 3.9Å; R274-E713 PolarHBondContact NH2-OE2 3.03Å; L275-E713 HydrophobicContact CD1-CB 4.26Å; L275-E713 HydrophobicContact CD2-CB 4.12Å; L275-E713 HydrophobicContact CD2-CG 3.97Å; L275-E713 HydrophobicContact CG-CB 4.19Å; L275-E713 HydrophobicContact CG-CG 4.17Å; R709-E713 PolarHBondContact O-N 2.78Å; L710-E713 PolarHBondContact O-N 3.48Å; I711-E713 PolarHBondContact O-N 3.23Å; E713-R715 VanDerWaalsContact C-N 3.34Å; E713-R715 PolarHBondContact O-N 3.46Å; E713-C716 WeakPolarHBondContact O-CB 3.24Å; E713-C716 PolarHBondContact O-N 3Å; E713-A717 WeakPolarHBondContact O-CB 2.85Å; E713-A717 PolarHBondContact O-N 2.81Å; E713-A774 HydrophobicContact CG-CB 4.45Å |
| 714 | G | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M288 G292 L710 I711 A717 L718 | M288-G714 WeakPolarHBondContact O-CA 3.32Å; G292-G714 VanDerWaalsContact CA-C 3.43Å; L710-G714 PolarHBondContact O-N 3.46Å; I711-G714 PolarHBondContact O-N 3.49Å; G714-A717 PolarHBondContact O-N 3.32Å; G714-L718 WeakPolarHBondContact O-CB 3.35Å; G714-L718 PolarHBondContact O-N 2.83Å |
| 715 | R | 91.5 | Very high | 89.5 | Confident | 4 Ų | 4 | 11.3 Ų | 11.3 | 2% | 0.015 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 174.7 | -74.3 | -179.7 | -179.4 | -170.8 | 4.2 | 111.8 | G292 I711 S712 E713 I719 S779 P783 Y861 | G292-R715 WeakPolarHBondContact O-CG 3.14Å; G292-R715 PolarHBondContact O-NE 3.3Å; I711-R715 WeakPolarHBondContact O-CG 3.48Å; I711-R715 PolarHBondContact O-N 3.46Å; S712-R715 PolarHBondContact O-N 3.29Å; E713-R715 VanDerWaalsContact C-N 3.34Å; E713-R715 PolarHBondContact O-N 3.46Å; R715-I719 WeakPolarHBondContact O-CG1 3.48Å; R715-I719 PolarHBondContact O-N 3.09Å; R715-I719 VanDerWaalsContact O-N 3.1Å; R715-S779 PolarHBondContact NH1-O 3.08Å; R715-P783 HydrophobicContact CB-CG 4.49Å; R715-P783 HydrophobicContact CG-CG 4.16Å; R715-Y861 HydrophobicContact CB-CD1 4.08Å; R715-Y861 HydrophobicContact CG-CD1 4.46Å |
| 716 | C | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 175 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | S712 E713 T720 A774 R862 | S712-C716 PolarHBondContact O-N 3.47Å; E713-C716 WeakPolarHBondContact O-CB 3.24Å; E713-C716 PolarHBondContact O-N 3Å; C716-T720 VanDerWaalsContact O-CB 3.24Å; C716-T720 WeakPolarHBondContact O-CB 3.08Å; C716-T720 PolarHBondContact O-N 3.45Å; C716-T720 PolarHBondContact O-OG1 2.99Å; C716-A774 HydrophobicContact CB-CB 3.64Å; C716-R862 HydrophobicContact CB-CG 4.38Å |
| 717 | A | 92 | Very high | 90.4 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.008 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A271 M288 E713 G714 T720 S721 | A271-A717 HydrophobicContact CB-CB 3.95Å; M288-A717 HydrophobicContact CG-CB 3.99Å; E713-A717 WeakPolarHBondContact O-CB 2.85Å; E713-A717 PolarHBondContact O-N 2.81Å; G714-A717 PolarHBondContact O-N 3.32Å; A717-T720 WeakPolarHBondContact O-CB 3.24Å; A717-T720 PolarHBondContact O-N 3.26Å; A717-T720 VanDerWaalsContact O-N 3.16Å; A717-S721 PolarHBondContact O-N 2.73Å; A717-S721 PolarHBondContact O-OG 3.18Å |
| 718 | L | 90 | Very high | 90.5 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | -179.9 | 178.4 | 59.6 | 0 | 0 | 0 | 112.5 | N289 V293 G714 T720 S721 F722 P783 M785 | N289-L718 HydrophobicContact CB-CD1 4.19Å; V293-L718 HydrophobicContact CG1-CD2 3.69Å; G714-L718 WeakPolarHBondContact O-CB 3.35Å; G714-L718 PolarHBondContact O-N 2.83Å; L718-T720 VanDerWaalsContact C-N 3.27Å; L718-T720 PolarHBondContact O-N 3.4Å; L718-S721 PolarHBondContact O-N 2.75Å; L718-F722 HydrophobicContact CD1-CD1 3.91Å; L718-F722 HydrophobicContact CD1-CE1 3.4Å; L718-F722 VanDerWaalsContact CD1-CE1 3.4Å; L718-F722 HydrophobicContact CD1-CZ 4.1Å; L718-F722 HydrophobicContact CG-CE1 4.27Å; L718-F722 VanDerWaalsContact O-CD1 3.26Å; L718-F722 WeakPolarHBondContact O-CD1 3.45Å; L718-F722 PolarHBondContact O-N 3.2Å; L718-P783 HydrophobicContact CD2-CB 4.26Å; L718-P783 HydrophobicContact CD2-CG 3.69Å; L718-P783 HydrophobicContact CG-CG 4.44Å; L718-M785 HydrophobicContact CD2-CG 4.23Å |
| 719 | I | 89.9 | Confident | 90.7 | Very high | 25 Ų | 25 | 10 Ų | 10 | 13% | 0.128 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65.6 | -33 | 177 | -68.7 | -63.5 | 0 | 0 | 0 | 111.4 | R715 F722 G723 P783 Y861 R862 | R715-I719 WeakPolarHBondContact O-CG1 3.48Å; R715-I719 PolarHBondContact O-N 3.09Å; R715-I719 VanDerWaalsContact O-N 3.1Å; I719-F722 PolarHBondContact O-N 3.11Å; I719-G723 PolarHBondContact O-N 2.88Å; I719-P783 HydrophobicContact CD1-CB 3.52Å; I719-P783 HydrophobicContact CG1-CB 3.85Å; I719-P783 HydrophobicContact CG1-CG 4.47Å; I719-Y861 HydrophobicContact CD1-CD2 4.07Å; I719-Y861 HydrophobicContact CD1-CE2 4.32Å; I719-Y861 HydrophobicContact CG1-CD2 3.66Å; I719-Y861 HydrophobicContact CG1-CE2 4.33Å; I719-Y861 HydrophobicContact CG1-CG 3.99Å; I719-R862 HydrophobicContact CG2-CG 4.45Å |
| 720 | T | 91.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.006 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | 174.2 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | C716 A717 L718 F722 G723 M724 F769 R862 | C716-T720 VanDerWaalsContact O-CB 3.24Å; C716-T720 WeakPolarHBondContact O-CB 3.08Å; C716-T720 PolarHBondContact O-N 3.45Å; C716-T720 PolarHBondContact O-OG1 2.99Å; A717-T720 WeakPolarHBondContact O-CB 3.24Å; A717-T720 PolarHBondContact O-N 3.26Å; A717-T720 VanDerWaalsContact O-N 3.16Å; L718-T720 VanDerWaalsContact C-N 3.27Å; L718-T720 PolarHBondContact O-N 3.4Å; T720-F722 VanDerWaalsContact C-N 3.25Å; T720-F722 PolarHBondContact O-N 2.97Å; T720-G723 PolarHBondContact O-N 2.91Å; T720-M724 HydrophobicContact CG2-CG 4.42Å; T720-M724 WeakPolarHBondContact O-CB 3.36Å; T720-M724 VanDerWaalsContact O-CG 3.27Å; T720-M724 WeakPolarHBondContact O-CG 3.3Å; T720-M724 PolarHBondContact O-N 3.32Å; T720-F769 HydrophobicContact CG2-CD1 4.26Å; T720-F769 HydrophobicContact CG2-CE1 4.26Å; T720-R862 VanDerWaalsContact OG1-CD 3.28Å; T720-R862 WeakPolarHBondContact OG1-CD 2.83Å; T720-R862 PolarHBondContact OG1-NH1 3.45Å |
| 721 | S | 89.3 | Confident | 91 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -60.1 | -36.9 | 173.4 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | M264 A717 L718 F725 | M264-S721 PolarHBondContact O-OG 2.89Å; A717-S721 PolarHBondContact O-N 2.73Å; A717-S721 PolarHBondContact O-OG 3.18Å; L718-S721 PolarHBondContact O-N 2.75Å; S721-F725 WeakPolarHBondContact O-CB 3.37Å; S721-F725 PolarHBondContact O-N 2.85Å |
| 722 | F | 88.4 | Confident | 91 | Very high | 11 Ų | 11 | 5 Ų | 5 | 5% | 0.048 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -70.4 | -43.9 | 177 | -83.7 | 37.3 | 0 | 0 | 0 | 112.2 | F208 L718 I719 T720 M724 F725 K726 T784 L787 | F208-F722 AromaticContact CD2-CE1 3.85Å; F208-F722 HydrophobicContact CD2-CE1 3.85Å; F208-F722 HydrophobicContact CD2-CZ 4.42Å; F208-F722 AromaticContact CE2-CD1 3.95Å; F208-F722 HydrophobicContact CE2-CD1 3.95Å; F208-F722 AromaticContact CE2-CE1 3.34Å; F208-F722 HydrophobicContact CE2-CE1 3.34Å; F208-F722 HydrophobicContact CE2-CZ 4.24Å; F208-F722 HydrophobicContact CZ-CE1 4.32Å; L718-F722 HydrophobicContact CD1-CD1 3.91Å; L718-F722 HydrophobicContact CD1-CE1 3.4Å; L718-F722 VanDerWaalsContact CD1-CE1 3.4Å; L718-F722 HydrophobicContact CD1-CZ 4.1Å; L718-F722 HydrophobicContact CG-CE1 4.27Å; L718-F722 VanDerWaalsContact O-CD1 3.26Å; L718-F722 WeakPolarHBondContact O-CD1 3.45Å; L718-F722 PolarHBondContact O-N 3.2Å; I719-F722 PolarHBondContact O-N 3.11Å; T720-F722 VanDerWaalsContact C-N 3.25Å; T720-F722 PolarHBondContact O-N 2.97Å; F722-M724 VanDerWaalsContact C-N 3.35Å; F722-F725 WeakPolarHBondContact O-CB 3.45Å; F722-F725 PolarHBondContact O-N 2.75Å; F722-K726 WeakPolarHBondContact O-CG 3.42Å; F722-K726 PolarHBondContact O-N 2.78Å; F722-T784 WeakPolarHBondContact CE2-O 3.42Å; F722-T784 WeakPolarHBondContact CZ-O 3.26Å; F722-L787 HydrophobicContact CD1-CD1 3.95Å; F722-L787 HydrophobicContact CD2-CD1 4.4Å; F722-L787 HydrophobicContact CE1-CD1 4.06Å; F722-L787 HydrophobicContact CE2-CD1 4.46Å; F722-L787 HydrophobicContact CG-CD1 4.13Å; F722-L787 HydrophobicContact CZ-CD1 4.29Å |
| 723 | G | 89.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 4.1 Ų | 4.1 | 2% | 0.021 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I719 T720 F725 K726 F727 | I719-G723 PolarHBondContact O-N 2.88Å; T720-G723 PolarHBondContact O-N 2.91Å; G723-F725 VanDerWaalsContact C-N 3.34Å; G723-F725 PolarHBondContact O-N 2.89Å; G723-K726 PolarHBondContact O-N 2.77Å; G723-F727 WeakPolarHBondContact O-CB 3.25Å; G723-F727 PolarHBondContact O-N 3.49Å |
| 724 | M | 90.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 3.6 Ų | 3.6 | 1% | 0.005 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 173.1 | -75.8 | -57.7 | -59.4 | 0 | 0 | 111.8 | A263 T720 F722 F727 M728 G766 F769 | A263-M724 HydrophobicContact CB-CE 3.63Å; T720-M724 HydrophobicContact CG2-CG 4.42Å; T720-M724 WeakPolarHBondContact O-CB 3.36Å; T720-M724 VanDerWaalsContact O-CG 3.27Å; T720-M724 WeakPolarHBondContact O-CG 3.3Å; T720-M724 PolarHBondContact O-N 3.32Å; F722-M724 VanDerWaalsContact C-N 3.35Å; M724-F727 PolarHBondContact O-N 3.48Å; M724-M728 HydrophobicContact CE-CE 3.53Å; M724-M728 HydrophobicContact CE-CG 4.45Å; M724-M728 VanDerWaalsContact O-CB 3.27Å; M724-M728 WeakPolarHBondContact O-CB 3.49Å; M724-M728 WeakPolarHBondContact O-CG 3.38Å; M724-M728 PolarHBondContact O-N 2.84Å; M724-G766 WeakPolarHBondContact CE-O 3.15Å; M724-G766 VanDerWaalsContact SD-O 3.4Å; M724-F769 HydrophobicContact CG-CD1 3.67Å; M724-F769 HydrophobicContact CG-CE1 3.87Å; M724-F769 HydrophobicContact SD-CB 3.83Å; M724-F769 HydrophobicContact SD-CD1 3.23Å; M724-F769 WeakPolarHBondContact SD-CD1 3.21Å; M724-F769 HydrophobicContact SD-CE1 3.9Å; M724-F769 HydrophobicContact SD-CG 3.69Å |
| 725 | F | 89.4 | Confident | 91.2 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 173.6 | 169.1 | -91 | 0 | 0 | 0 | 112.1 | F215 L260 M264 S721 F722 G723 F727 M728 A729 L787 M793 | F215-F725 HydrophobicContact CB-CE2 4.42Å; F215-F725 HydrophobicContact CB-CZ 4.17Å; F215-F725 AromaticContact CD1-CE2 3.28Å; F215-F725 HydrophobicContact CD1-CE2 3.28Å; F215-F725 AromaticContact CD1-CZ 3.25Å; F215-F725 HydrophobicContact CD1-CZ 3.25Å; F215-F725 AromaticContact CD2-CZ 3.78Å; F215-F725 HydrophobicContact CD2-CZ 3.78Å; F215-F725 HydrophobicContact CE1-CE1 4.37Å; F215-F725 AromaticContact CE1-CE2 3.51Å; F215-F725 HydrophobicContact CE1-CE2 3.51Å; F215-F725 AromaticContact CE1-CZ 3.34Å; F215-F725 HydrophobicContact CE1-CZ 3.34Å; F215-F725 AromaticContact CE2-CZ 3.89Å; F215-F725 HydrophobicContact CE2-CZ 3.89Å; F215-F725 AromaticContact CG-CE2 3.87Å; F215-F725 HydrophobicContact CG-CE2 3.87Å; F215-F725 AromaticContact CG-CZ 3.44Å; F215-F725 HydrophobicContact CG-CZ 3.44Å; F215-F725 VanDerWaalsContact CG-CZ 3.44Å; F215-F725 HydrophobicContact CZ-CE1 4.4Å; F215-F725 HydrophobicContact CZ-CE2 4.3Å; F215-F725 AromaticContact CZ-CZ 3.69Å; F215-F725 HydrophobicContact CZ-CZ 3.69Å; L260-F725 HydrophobicContact CD1-CD2 3.97Å; L260-F725 HydrophobicContact CD2-CD2 4.44Å; L260-F725 HydrophobicContact CD2-CE2 4.5Å; M264-F725 HydrophobicContact CE-CB 4.46Å; M264-F725 HydrophobicContact CE-CD2 4.46Å; M264-F725 HydrophobicContact CG-CB 4.36Å; M264-F725 HydrophobicContact SD-CB 4.35Å; M264-F725 HydrophobicContact SD-CD2 4.11Å; S721-F725 WeakPolarHBondContact O-CB 3.37Å; S721-F725 PolarHBondContact O-N 2.85Å; F722-F725 WeakPolarHBondContact O-CB 3.45Å; F722-F725 PolarHBondContact O-N 2.75Å; G723-F725 VanDerWaalsContact C-N 3.34Å; G723-F725 PolarHBondContact O-N 2.89Å; F725-F727 VanDerWaalsContact C-N 3.32Å; F725-F727 PolarHBondContact O-N 2.89Å; F725-M728 PolarHBondContact O-N 3.19Å; F725-A729 VanDerWaalsContact O-CB 3.28Å; F725-A729 WeakPolarHBondContact O-CB 3.49Å; F725-A729 PolarHBondContact O-N 2.92Å; F725-L787 HydrophobicContact CB-CD1 4.05Å; F725-L787 HydrophobicContact CD1-CD1 3.42Å; F725-L787 VanDerWaalsContact CD1-CD1 3.42Å; F725-L787 HydrophobicContact CD1-CD2 4.17Å; F725-L787 HydrophobicContact CD1-CG 3.81Å; F725-L787 HydrophobicContact CD2-CD1 4.21Å; F725-L787 HydrophobicContact CD2-CD2 3.64Å; F725-L787 HydrophobicContact CD2-CG 4.22Å; F725-L787 HydrophobicContact CE1-CD1 3.83Å; F725-L787 HydrophobicContact CE1-CD2 4.05Å; F725-L787 HydrophobicContact CE1-CG 3.67Å; F725-L787 HydrophobicContact CE2-CD2 3.5Å; F725-L787 HydrophobicContact CE2-CG 4.09Å; F725-L787 HydrophobicContact CG-CD1 3.62Å; F725-L787 HydrophobicContact CG-CD2 3.96Å; F725-L787 HydrophobicContact CG-CG 4.06Å; F725-L787 HydrophobicContact CZ-CD1 4.35Å; F725-L787 HydrophobicContact CZ-CD2 3.7Å; F725-L787 HydrophobicContact CZ-CG 3.8Å; F725-M793 HydrophobicContact CE1-CE 4Å |
| 726 | K | 90.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 3.8 Ų | 3.8 | 5% | 0.052 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -56.8 | -47.2 | 175.5 | -73.6 | -163 | -69.4 | 179.9 | 0 | 110.6 | F722 G723 G730 T792 L796 F855 E857 E926 | F722-K726 WeakPolarHBondContact O-CG 3.42Å; F722-K726 PolarHBondContact O-N 2.78Å; G723-K726 PolarHBondContact O-N 2.77Å; K726-G730 WeakPolarHBondContact O-CA 3.25Å; K726-G730 PolarHBondContact O-N 2.91Å; K726-T792 HydrophobicContact CD-CG2 3.99Å; K726-T792 HydrophobicContact CG-CG2 3.77Å; K726-L796 WeakPolarHBondContact O-CD1 3.41Å; K726-F855 HydrophobicContact CB-CB 4.29Å; K726-F855 HydrophobicContact CB-CD1 3.98Å; K726-F855 HydrophobicContact CB-CD2 3.73Å; K726-F855 HydrophobicContact CB-CE1 4.17Å; K726-F855 HydrophobicContact CB-CE2 3.91Å; K726-F855 HydrophobicContact CB-CG 3.74Å; K726-F855 HydrophobicContact CB-CZ 4.12Å; K726-F855 HydrophobicContact CD-CD1 3.82Å; K726-F855 HydrophobicContact CD-CE1 4.03Å; K726-F855 HydrophobicContact CD-CG 4.36Å; K726-F855 VanDerWaalsContact O-CE2 3.28Å; K726-F855 WeakPolarHBondContact O-CE2 3.24Å; K726-E857 IonicContact NZ-OE1 3.61Å; K726-E857 PolarHBondContact NZ-OE1 3.25Å; K726-E926 IonicContact NZ-OE1 2.69Å; K726-E926 PolarHBondContact NZ-OE1 2.87Å |
| 727 | F | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 178.4 | 177.2 | -125.6 | 0 | 0 | 0 | 112 | G723 M724 F725 G730 Y731 I762 L765 Y848 L851 A852 F855 | G723-F727 WeakPolarHBondContact O-CB 3.25Å; G723-F727 PolarHBondContact O-N 3.49Å; M724-F727 PolarHBondContact O-N 3.48Å; F725-F727 VanDerWaalsContact C-N 3.32Å; F725-F727 PolarHBondContact O-N 2.89Å; F727-G730 PolarHBondContact O-N 3.01Å; F727-Y731 WeakPolarHBondContact O-CD1 3.48Å; F727-Y731 PolarHBondContact O-N 3.39Å; F727-I762 HydrophobicContact CE1-CD1 4.43Å; F727-I762 HydrophobicContact CE1-CG2 4.25Å; F727-I762 HydrophobicContact CE2-CD1 4.03Å; F727-I762 HydrophobicContact CZ-CD1 3.62Å; F727-I762 HydrophobicContact CZ-CG2 4.44Å; F727-L765 HydrophobicContact CE1-CB 4.37Å; F727-L765 HydrophobicContact CZ-CB 4.15Å; F727-Y848 WeakPolarHBondContact CE2-O 3.29Å; F727-L851 HydrophobicContact CD2-CB 4.04Å; F727-L851 HydrophobicContact CE2-CB 4.29Å; F727-A852 HydrophobicContact CD2-CB 4.16Å; F727-A852 HydrophobicContact CE2-CB 3.72Å; F727-A852 HydrophobicContact CZ-CB 4.08Å; F727-F855 HydrophobicContact CB-CD2 4.13Å |
| 728 | M | 91.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 6.3 Ų | 6.3 | 1% | 0.01 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | -178.4 | -68.4 | -67.2 | 168.1 | 0 | 0 | 112.7 | I259 L260 A263 M724 F725 Y731 S732 I762 | I259-M728 HydrophobicContact CG2-CE 4.03Å; I259-M728 HydrophobicContact CG2-SD 3.53Å; I259-M728 VanDerWaalsContact CG2-SD 3.53Å; L260-M728 HydrophobicContact CD1-CB 3.49Å; L260-M728 VanDerWaalsContact CD1-CB 3.49Å; L260-M728 HydrophobicContact CD1-CG 4.28Å; A263-M728 HydrophobicContact CB-CE 3.74Å; A263-M728 HydrophobicContact CB-CG 3.78Å; A263-M728 HydrophobicContact CB-SD 4.21Å; M724-M728 HydrophobicContact CE-CE 3.53Å; M724-M728 HydrophobicContact CE-CG 4.45Å; M724-M728 VanDerWaalsContact O-CB 3.27Å; M724-M728 WeakPolarHBondContact O-CB 3.49Å; M724-M728 WeakPolarHBondContact O-CG 3.38Å; M724-M728 PolarHBondContact O-N 2.84Å; F725-M728 PolarHBondContact O-N 3.19Å; M728-Y731 VanDerWaalsContact CA-CD1 3.43Å; M728-Y731 HydrophobicContact CB-CD1 4.44Å; M728-Y731 HydrophobicContact CB-CE1 4.06Å; M728-Y731 HydrophobicContact CG-CE1 4.38Å; M728-Y731 WeakPolarHBondContact O-CD1 3.4Å; M728-Y731 WeakPolarHBondContact O-CE1 3.28Å; M728-Y731 HydrophobicContact SD-CD1 4.08Å; M728-Y731 HydrophobicContact SD-CE1 3.47Å; M728-Y731 WeakPolarHBondContact SD-CE1 3.39Å; M728-S732 PolarHBondContact O-N 3.46Å; M728-S732 PolarHBondContact O-OG 3.46Å; M728-I762 HydrophobicContact CE-CG2 3.96Å; M728-I762 HydrophobicContact SD-CG2 3.94Å |
| 729 | A | 90.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -70.9 | -36.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F215 F725 S732 L733 L796 | F215-A729 HydrophobicContact CE1-CB 3.74Å; F215-A729 HydrophobicContact CZ-CB 3.56Å; F725-A729 VanDerWaalsContact O-CB 3.28Å; F725-A729 WeakPolarHBondContact O-CB 3.49Å; F725-A729 PolarHBondContact O-N 2.92Å; A729-S732 PolarHBondContact O-OG 3.18Å; A729-L733 WeakPolarHBondContact O-CB 3.28Å; A729-L733 WeakPolarHBondContact O-CG 3.18Å; A729-L733 PolarHBondContact O-N 3.3Å; A729-L733 VanDerWaalsContact O-N 3.16Å; A729-L796 HydrophobicContact CB-CD1 4Å; A729-L796 HydrophobicContact CB-CD2 3.85Å |
| 730 | G | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66.4 | -47.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K726 F727 I734 | K726-G730 WeakPolarHBondContact O-CA 3.25Å; K726-G730 PolarHBondContact O-N 2.91Å; F727-G730 PolarHBondContact O-N 3.01Å; G730-I734 WeakPolarHBondContact O-CG1 3.41Å; G730-I734 PolarHBondContact O-N 3.29Å |
| 731 | Y | 93.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 7.5 Ų | 7.5 | 3% | 0.027 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 177.8 | 92.7 | -96.5 | 0 | 0 | 0 | 111.1 | P257 F727 M728 L733 I734 Q735 I762 | P257-Y731 HydrophobicContact CB-CE1 4.02Å; P257-Y731 WeakPolarHBondContact CB-OH 3.41Å; F727-Y731 WeakPolarHBondContact O-CD1 3.48Å; F727-Y731 PolarHBondContact O-N 3.39Å; M728-Y731 VanDerWaalsContact CA-CD1 3.43Å; M728-Y731 HydrophobicContact CB-CD1 4.44Å; M728-Y731 HydrophobicContact CB-CE1 4.06Å; M728-Y731 HydrophobicContact CG-CE1 4.38Å; M728-Y731 WeakPolarHBondContact O-CD1 3.4Å; M728-Y731 WeakPolarHBondContact O-CE1 3.28Å; M728-Y731 HydrophobicContact SD-CD1 4.08Å; M728-Y731 HydrophobicContact SD-CE1 3.47Å; M728-Y731 WeakPolarHBondContact SD-CE1 3.39Å; Y731-L733 VanDerWaalsContact C-N 3.3Å; Y731-L733 PolarHBondContact O-N 3.15Å; Y731-I734 PolarHBondContact O-N 3.1Å; Y731-Q735 VanDerWaalsContact O-CB 3.28Å; Y731-Q735 WeakPolarHBondContact O-CB 3.5Å; Y731-Q735 PolarHBondContact O-N 3.34Å; Y731-I762 HydrophobicContact CD1-CD1 4.15Å; Y731-I762 HydrophobicContact CD1-CG1 4.48Å; Y731-I762 HydrophobicContact CD1-CG2 3.96Å; Y731-I762 HydrophobicContact CD2-CD1 4.19Å; Y731-I762 HydrophobicContact CD2-CG1 4.1Å; Y731-I762 HydrophobicContact CE1-CG2 3.89Å; Y731-I762 HydrophobicContact CG-CD1 3.74Å; Y731-I762 HydrophobicContact CG-CG1 4.1Å; Y731-I762 HydrophobicContact CG-CG2 4.4Å |
| 732 | S | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | -176.2 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | I254 V255 M728 A729 S736 | I254-S732 WeakPolarHBondContact O-CB 3.5Å; V255-S732 PolarHBondContact O-OG 3.07Å; V255-S732 VanDerWaalsContact O-OG 3.13Å; M728-S732 PolarHBondContact O-N 3.46Å; M728-S732 PolarHBondContact O-OG 3.46Å; A729-S732 PolarHBondContact O-OG 3.18Å; S732-S736 VanDerWaalsContact O-CB 3.29Å; S732-S736 WeakPolarHBondContact O-CB 3.5Å; S732-S736 PolarHBondContact O-N 3.27Å |
| 733 | L | 91.9 | Very high | 91.1 | Very high | 5 Ų | 5 | 7.3 Ų | 7.3 | 3% | 0.026 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -69.3 | -44.2 | 174 | -71.3 | 172.6 | 0 | 0 | 0 | 112.3 | L219 V222 A729 Y731 Q735 S736 F737 V800 | L219-L733 HydrophobicContact CD2-CD1 4.28Å; L219-L733 HydrophobicContact CD2-CD2 3.76Å; L219-L733 HydrophobicContact CD2-CG 4.11Å; V222-L733 HydrophobicContact CG1-CD2 4.24Å; A729-L733 WeakPolarHBondContact O-CB 3.28Å; A729-L733 WeakPolarHBondContact O-CG 3.18Å; A729-L733 PolarHBondContact O-N 3.3Å; A729-L733 VanDerWaalsContact O-N 3.16Å; Y731-L733 VanDerWaalsContact C-N 3.3Å; Y731-L733 PolarHBondContact O-N 3.15Å; L733-Q735 VanDerWaalsContact C-N 3.33Å; L733-Q735 PolarHBondContact O-N 3.39Å; L733-S736 WeakPolarHBondContact O-CB 3.41Å; L733-S736 PolarHBondContact O-N 2.93Å; L733-F737 WeakPolarHBondContact O-CD2 3.48Å; L733-F737 PolarHBondContact O-N 2.99Å; L733-V800 HydrophobicContact CB-CG1 4.01Å; L733-V800 HydrophobicContact CB-CG2 3.88Å; L733-V800 HydrophobicContact CD1-CG2 3.97Å |
| 734 | I | 93.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 10.4 Ų | 10.4 | 2% | 0.015 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.9 | -71 | -175.8 | 0 | 0 | 0 | 111.1 | G730 Y731 F737 S738 Q807 Q847 Y848 L851 | G730-I734 WeakPolarHBondContact O-CG1 3.41Å; G730-I734 PolarHBondContact O-N 3.29Å; Y731-I734 PolarHBondContact O-N 3.1Å; I734-F737 PolarHBondContact O-N 3.49Å; I734-S738 PolarHBondContact O-N 3.19Å; I734-S738 PolarHBondContact O-OG 3.31Å; I734-Q807 VanDerWaalsContact CG2-NE2 3.27Å; I734-Q847 HydrophobicContact CD1-CB 4.32Å; I734-Q847 HydrophobicContact CG2-CB 4.38Å; I734-Y848 HydrophobicContact CB-CE1 4.23Å; I734-Y848 HydrophobicContact CG2-CE1 3.86Å; I734-L851 HydrophobicContact CD1-CD1 3.59Å; I734-L851 HydrophobicContact CD1-CD2 4.23Å; I734-L851 HydrophobicContact CD1-CG 4.06Å; I734-L851 HydrophobicContact CG1-CD1 4.48Å |
| 735 | Q | 93.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 1% | 0.014 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 177.3 | -168.4 | 172.4 | -2.6 | 0 | 0 | 111.1 | I254 Y731 L733 F737 S738 I739 Y848 | I254-Q735 HydrophobicContact CG2-CB 3.87Å; I254-Q735 HydrophobicContact CG2-CG 3.69Å; Y731-Q735 VanDerWaalsContact O-CB 3.28Å; Y731-Q735 WeakPolarHBondContact O-CB 3.5Å; Y731-Q735 PolarHBondContact O-N 3.34Å; L733-Q735 VanDerWaalsContact C-N 3.33Å; L733-Q735 PolarHBondContact O-N 3.39Å; Q735-F737 VanDerWaalsContact C-N 3.34Å; Q735-F737 PolarHBondContact O-N 3.43Å; Q735-S738 VanDerWaalsContact O-CB 3.26Å; Q735-S738 WeakPolarHBondContact O-CB 3.48Å; Q735-S738 PolarHBondContact O-N 2.96Å; Q735-S738 VanDerWaalsContact O-N 3.14Å; Q735-I739 WeakPolarHBondContact O-CG1 3.02Å; Q735-I739 PolarHBondContact O-N 3.4Å; Q735-Y848 WeakPolarHBondContact CB-OH 3.41Å |
| 736 | S | 91.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 12.1 Ų | 12.1 | 3% | 0.028 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -55.9 | -47.4 | 172.6 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | L251 V255 S732 L733 S738 I739 M740 | L251-S736 WeakPolarHBondContact CD1-O 3.32Å; L251-S736 WeakPolarHBondContact CD1-OG 3.47Å; V255-S736 VanDerWaalsContact CG2-OG 3.25Å; V255-S736 WeakPolarHBondContact CG2-OG 3.48Å; S732-S736 VanDerWaalsContact O-CB 3.29Å; S732-S736 WeakPolarHBondContact O-CB 3.5Å; S732-S736 PolarHBondContact O-N 3.27Å; L733-S736 WeakPolarHBondContact O-CB 3.41Å; L733-S736 PolarHBondContact O-N 2.93Å; S736-S738 VanDerWaalsContact C-N 3.34Å; S736-S738 PolarHBondContact O-N 3.23Å; S736-I739 PolarHBondContact O-N 2.89Å; S736-M740 WeakPolarHBondContact O-CG 3.4Å; S736-M740 PolarHBondContact O-N 3.37Å |
| 737 | F | 91.6 | Very high | 89.6 | Confident | 55 Ų | 55 | 11.6 Ų | 11.6 | 24% | 0.241 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.6 | -36.2 | 175.9 | -73.9 | -53.1 | 0 | 0 | 0 | 113.5 | L733 I734 Q735 I739 M740 L741 V800 F804 | L733-F737 WeakPolarHBondContact O-CD2 3.48Å; L733-F737 PolarHBondContact O-N 2.99Å; I734-F737 PolarHBondContact O-N 3.49Å; Q735-F737 VanDerWaalsContact C-N 3.34Å; Q735-F737 PolarHBondContact O-N 3.43Å; F737-I739 VanDerWaalsContact C-N 3.32Å; F737-I739 PolarHBondContact O-N 3.36Å; F737-M740 PolarHBondContact O-N 3.23Å; F737-L741 WeakPolarHBondContact O-CG 3.36Å; F737-L741 PolarHBondContact O-N 3.45Å; F737-V800 HydrophobicContact CD2-CG1 3.93Å; F737-V800 HydrophobicContact CE2-CG1 3.38Å; F737-V800 HydrophobicContact CZ-CG1 4.46Å; F737-F804 HydrophobicContact CB-CD2 3.86Å; F737-F804 AromaticContact CD1-CD2 3.81Å; F737-F804 HydrophobicContact CD1-CD2 3.81Å; F737-F804 HydrophobicContact CD1-CE2 4.09Å; F737-F804 HydrophobicContact CD2-CB 4.41Å; F737-F804 HydrophobicContact CD2-CD2 4.49Å; F737-F804 HydrophobicContact CG-CB 4.5Å; F737-F804 AromaticContact CG-CD2 3.79Å; F737-F804 HydrophobicContact CG-CD2 3.79Å; F737-F804 HydrophobicContact CG-CE2 4.47Å; F737-F804 HydrophobicContact CG-CG 4.45Å |
| 738 | S | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -56.7 | -49.3 | 174.8 | -51.1 | 0 | 0 | 0 | 0 | 110.4 | I734 Q735 S736 L741 L742 Q807 | I734-S738 PolarHBondContact O-N 3.19Å; I734-S738 PolarHBondContact O-OG 3.31Å; Q735-S738 VanDerWaalsContact O-CB 3.26Å; Q735-S738 WeakPolarHBondContact O-CB 3.48Å; Q735-S738 PolarHBondContact O-N 2.96Å; Q735-S738 VanDerWaalsContact O-N 3.14Å; S736-S738 VanDerWaalsContact C-N 3.34Å; S736-S738 PolarHBondContact O-N 3.23Å; S738-L741 PolarHBondContact O-N 2.94Å; S738-L742 WeakPolarHBondContact O-CG 3.43Å; S738-L742 PolarHBondContact O-N 3.3Å; S738-L742 VanDerWaalsContact O-N 3.14Å; S738-Q807 PolarHBondContact OG-NE2 3.12Å; S738-Q807 PolarHBondContact OG-OE1 3.48Å |
| 739 | I | 91 | Very high | 89.4 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69.3 | -39.6 | 179.6 | -60.2 | -45.1 | 0 | 0 | 0 | 111.7 | I254 Q735 S736 F737 L741 L742 F743 F749 Y754 | I254-I739 HydrophobicContact CD1-CG1 3.77Å; Q735-I739 WeakPolarHBondContact O-CG1 3.02Å; Q735-I739 PolarHBondContact O-N 3.4Å; S736-I739 PolarHBondContact O-N 2.89Å; F737-I739 VanDerWaalsContact C-N 3.32Å; F737-I739 PolarHBondContact O-N 3.36Å; I739-L741 VanDerWaalsContact C-N 3.31Å; I739-L741 PolarHBondContact O-N 3.35Å; I739-L742 HydrophobicContact CD1-CD1 4.3Å; I739-L742 PolarHBondContact O-N 3.23Å; I739-L742 VanDerWaalsContact O-N 3.17Å; I739-F743 HydrophobicContact CG2-CD2 3.8Å; I739-F743 HydrophobicContact CG2-CE1 4.24Å; I739-F743 HydrophobicContact CG2-CE2 3.36Å; I739-F743 HydrophobicContact CG2-CG 4.43Å; I739-F743 HydrophobicContact CG2-CZ 3.61Å; I739-F743 WeakPolarHBondContact O-CD2 3.35Å; I739-F743 WeakPolarHBondContact O-CG 3.49Å; I739-F743 PolarHBondContact O-N 3.02Å; I739-F749 HydrophobicContact CD1-CB 4.21Å; I739-F749 HydrophobicContact CD1-CD1 4.47Å; I739-F749 HydrophobicContact CD1-CD2 3.5Å; I739-F749 HydrophobicContact CD1-CE2 3.94Å; I739-F749 HydrophobicContact CD1-CG 3.8Å; I739-Y754 HydrophobicContact CD1-CE1 4.41Å; I739-Y754 WeakPolarHBondContact CD1-OH 3.28Å; I739-Y754 WeakPolarHBondContact CG1-OH 3.47Å |
| 740 | M | 88.3 | Confident | 89.5 | Confident | 32 Ų | 32 | 11.5 Ų | 11.5 | 16% | 0.158 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.6 | -42.5 | 173.9 | -67 | -131.3 | 81 | 0 | 0 | 112.4 | G226 V229 T230 L251 S736 F737 F743 | G226-M740 WeakPolarHBondContact O-CE 3.45Å; V229-M740 HydrophobicContact CB-CE 4.01Å; V229-M740 HydrophobicContact CG1-CE 3.95Å; T230-M740 WeakPolarHBondContact OG1-CE 3.48Å; L251-M740 HydrophobicContact CD1-CG 3.91Å; L251-M740 HydrophobicContact CD2-CE 3.9Å; L251-M740 HydrophobicContact CD2-CG 4.07Å; L251-M740 HydrophobicContact CD2-SD 4.03Å; S736-M740 WeakPolarHBondContact O-CG 3.4Å; S736-M740 PolarHBondContact O-N 3.37Å; F737-M740 PolarHBondContact O-N 3.23Å; M740-F743 PolarHBondContact O-N 3.43Å |
| 741 | L | 90.5 | Very high | 89.4 | Confident | 21 Ų | 21 | 14 Ų | 14 | 11% | 0.11 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.9 | -73.8 | 170.5 | 0 | 0 | 0 | 111.6 | F737 S738 I739 V744 F804 Q807 A808 F811 | F737-L741 WeakPolarHBondContact O-CG 3.36Å; F737-L741 PolarHBondContact O-N 3.45Å; S738-L741 PolarHBondContact O-N 2.94Å; I739-L741 VanDerWaalsContact C-N 3.31Å; I739-L741 PolarHBondContact O-N 3.35Å; L741-V744 WeakPolarHBondContact O-CB 3.34Å; L741-V744 PolarHBondContact O-N 3.15Å; L741-F804 HydrophobicContact CD1-CE2 4.42Å; L741-F804 HydrophobicContact CD2-CE2 4.19Å; L741-F804 HydrophobicContact CG-CE2 4.3Å; L741-Q807 HydrophobicContact CD1-CB 3.7Å; L741-A808 HydrophobicContact CD1-CB 4.46Å; L741-A808 HydrophobicContact CD2-CB 4.33Å; L741-F811 HydrophobicContact CB-CD2 4.36Å; L741-F811 HydrophobicContact CB-CE2 4.47Å; L741-F811 VanDerWaalsContact O-CE2 3.26Å; L741-F811 WeakPolarHBondContact O-CE2 3.31Å; L741-F811 WeakPolarHBondContact O-CZ 3.3Å |
| 742 | L | 89.5 | Confident | 89.3 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.2 | -34.6 | 179.4 | -65.8 | 177 | 0 | 0 | 0 | 112.9 | S738 I739 V744 V745 G746 G747 F749 F811 E836 V840 | S738-L742 WeakPolarHBondContact O-CG 3.43Å; S738-L742 PolarHBondContact O-N 3.3Å; S738-L742 VanDerWaalsContact O-N 3.14Å; I739-L742 HydrophobicContact CD1-CD1 4.3Å; I739-L742 PolarHBondContact O-N 3.23Å; I739-L742 VanDerWaalsContact O-N 3.17Å; L742-V744 PolarHBondContact O-N 2.95Å; L742-V745 PolarHBondContact O-N 3.36Å; L742-G746 PolarHBondContact O-N 3.11Å; L742-G747 CarbonylContact C-O 3.59Å; L742-G747 WeakPolarHBondContact CB-O 3.36Å; L742-G747 PolarHBondContact O-N 3.21Å; L742-F749 HydrophobicContact CD1-CD1 3.58Å; L742-F749 HydrophobicContact CD1-CE1 3.55Å; L742-F749 HydrophobicContact CD1-CG 4.37Å; L742-F749 HydrophobicContact CD1-CZ 4.31Å; L742-F811 HydrophobicContact CD2-CE2 4.39Å; L742-E836 HydrophobicContact CD2-CB 4.17Å; L742-V840 HydrophobicContact CD2-CB 4.32Å; L742-V840 HydrophobicContact CD2-CG2 4.23Å |
| 743 | F | 86.1 | Confident | 89.4 | Confident | 5 Ų | 5 | 17.6 Ų | 17.6 | 2% | 0.022 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.2 | -20.6 | 174.8 | -75.4 | -33.2 | 0 | 0 | 0 | 114 | T230 R247 I739 M740 V745 G746 | T230-F743 HydrophobicContact CG2-CB 4.12Å; T230-F743 HydrophobicContact CG2-CD1 4.49Å; T230-F743 HydrophobicContact CG2-CD2 3.25Å; T230-F743 HydrophobicContact CG2-CE2 3.62Å; T230-F743 HydrophobicContact CG2-CG 3.74Å; T230-F743 HydrophobicContact CG2-CZ 4.4Å; R247-F743 HydrophobicContact CB-CE1 4.36Å; R247-F743 HydrophobicContact CB-CZ 4.36Å; I739-F743 HydrophobicContact CG2-CD2 3.8Å; I739-F743 HydrophobicContact CG2-CE1 4.24Å; I739-F743 HydrophobicContact CG2-CE2 3.36Å; I739-F743 HydrophobicContact CG2-CG 4.43Å; I739-F743 HydrophobicContact CG2-CZ 3.61Å; I739-F743 WeakPolarHBondContact O-CD2 3.35Å; I739-F743 WeakPolarHBondContact O-CG 3.49Å; I739-F743 PolarHBondContact O-N 3.02Å; M740-F743 PolarHBondContact O-N 3.43Å; F743-V745 PolarHBondContact O-N 3.5Å; F743-G746 PolarHBondContact O-N 3.29Å; F743-G746 VanDerWaalsContact O-N 3.13Å |
| 744 | V | 84.5 | Confident | 89.4 | Confident | 67 Ų | 67 | 17.4 Ų | 17.4 | 41% | 0.406 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -33.9 | 171.3 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | L233 L741 L742 F811 | L233-V744 HydrophobicContact CD1-CG2 4.24Å; L741-V744 WeakPolarHBondContact O-CB 3.34Å; L741-V744 PolarHBondContact O-N 3.15Å; L742-V744 PolarHBondContact O-N 2.95Å; V744-F811 HydrophobicContact CB-CZ 4.28Å |
| 745 | V | 82.1 | Confident | 89.3 | Confident | 26 Ų | 26 | 18.7 Ų | 18.7 | 16% | 0.158 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -24 | 173 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | L742 F743 F811 Y824 E836 | L742-V745 PolarHBondContact O-N 3.36Å; F743-V745 PolarHBondContact O-N 3.5Å; V745-F811 HydrophobicContact CG2-CE2 4.07Å; V745-F811 HydrophobicContact CG2-CZ 3.76Å; V745-Y824 HydrophobicContact CG1-CD1 4.07Å; V745-Y824 HydrophobicContact CG1-CG 4.05Å; V745-Y824 WeakPolarHBondContact O-CD1 3.48Å; V745-Y824 WeakPolarHBondContact O-CE1 3.41Å; V745-E836 HydrophobicContact CG2-CG 4.4Å |
| 746 | G | 79.3 | Confident | 89.3 | Confident | 12 Ų | 12 | 19.1 Ų | 19.1 | 12% | 0.124 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 16.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L742 F743 Y824 | L742-G746 PolarHBondContact O-N 3.11Å; F743-G746 PolarHBondContact O-N 3.29Å; F743-G746 VanDerWaalsContact O-N 3.13Å; G746-Y824 WeakPolarHBondContact O-CE2 3.36Å; G746-Y824 PolarHBondContact O-OH 2.99Å |
| 747 | G | 84.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -88.8 | 166.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L742 E831 | L742-G747 CarbonylContact C-O 3.59Å; L742-G747 WeakPolarHBondContact CB-O 3.36Å; L742-G747 PolarHBondContact O-N 3.21Å; G747-E831 VanDerWaalsContact CA-O 3.27Å; G747-E831 WeakPolarHBondContact CA-O 3.5Å | ||
| 748 | N | 88.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -148.1 | 168.6 | 175.1 | -156 | -17.4 | 0 | 0 | 0 | 110.1 | Y37 D250 Y754 E831 F832 S837 | Y37-N748 PolarHBondContact OH-ND2 3.47Å; D250-N748 PolarHBondContact OD2-ND2 3.26Å; N748-Y754 PolarHBondContact OD1-OH 3.29Å; N748-E831 PolarHBondContact N-O 2.95Å; N748-F832 HydrophobicContact CB-CD1 4.41Å; N748-F832 HydrophobicContact CB-CE1 4.28Å; N748-S837 PolarHBondContact O-OG 3.28Å | ||
| 749 | F | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -75.3 | 149.6 | 169.8 | -73.8 | -22.6 | 0 | 0 | 0 | 111.5 | Y37 I739 L742 Q753 Y754 V840 F841 | Y37-F749 PolarHBondContact OH-O 3.14Å; I739-F749 HydrophobicContact CD1-CB 4.21Å; I739-F749 HydrophobicContact CD1-CD1 4.47Å; I739-F749 HydrophobicContact CD1-CD2 3.5Å; I739-F749 HydrophobicContact CD1-CE2 3.94Å; I739-F749 HydrophobicContact CD1-CG 3.8Å; L742-F749 HydrophobicContact CD1-CD1 3.58Å; L742-F749 HydrophobicContact CD1-CE1 3.55Å; L742-F749 HydrophobicContact CD1-CG 4.37Å; L742-F749 HydrophobicContact CD1-CZ 4.31Å; F749-Q753 HydrophobicContact CB-CB 4.16Å; F749-Q753 VanDerWaalsContact CD1-OE1 3.3Å; F749-Q753 HydrophobicContact CG-CB 4.5Å; F749-Y754 HydrophobicContact CB-CD2 4.06Å; F749-Y754 HydrophobicContact CB-CE1 4.24Å; F749-Y754 HydrophobicContact CB-CE2 3.66Å; F749-Y754 HydrophobicContact CB-CG 4.5Å; F749-Y754 HydrophobicContact CD2-CE1 4.07Å; F749-Y754 WeakPolarHBondContact O-CE2 3.29Å; F749-V840 HydrophobicContact CE1-CG1 4.37Å; F749-V840 HydrophobicContact CZ-CG1 4.12Å; F749-F841 HydrophobicContact CD1-CB 4.27Å; F749-F841 HydrophobicContact CE1-CB 3.64Å; F749-F841 HydrophobicContact CE1-CD2 4.43Å; F749-F841 HydrophobicContact CZ-CB 4.14Å | ||
| 750 | S | 91.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | trans | -77.8 | 159.4 | 174 | 75 | 0 | 0 | 0 | 0 | 111.8 | W752 Q753 Y754 L897 | S750-W752 PolarHBondContact O-N 3Å; S750-Q753 WeakPolarHBondContact O-CB 3.45Å; S750-Q753 PolarHBondContact O-N 2.97Å; S750-Q753 VanDerWaalsContact OG-CG 3.24Å; S750-Q753 WeakPolarHBondContact OG-CG 3.33Å; S750-Q753 PolarHBondContact OG-N 3.11Å; S750-Y754 WeakPolarHBondContact O-CD2 3.36Å; S750-Y754 PolarHBondContact O-N 3.44Å; S750-L897 PolarHBondContact OG-O 3.24Å | ||
| 751 | Q | 91.2 | Very high | 89.3 | Confident | 52 Ų | 52 | 21.6 Ų | 21.6 | 24% | 0.243 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.8 | -34.8 | 176.8 | 66.9 | -178.3 | -24.3 | 0 | 0 | 113 | Y37 Y754 L755 | Y37-Q751 HydrophobicContact CD1-CB 3.53Å; Y37-Q751 HydrophobicContact CE1-CB 4.1Å; Q751-Y754 PolarHBondContact O-N 2.98Å; Q751-L755 WeakPolarHBondContact O-CB 3.45Å; Q751-L755 PolarHBondContact O-N 2.98Å |
| 752 | W | 91.4 | Very high | 89.4 | Confident | 83 Ų | 83 | 20.7 Ų | 20.7 | 31% | 0.314 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -74.3 | -31.9 | 177.8 | -67.4 | 111.4 | 0 | 0 | 0 | 112.3 | I39 S750 L755 H756 L896 L897 | I39-W752 HydrophobicContact CD1-CH2 4.34Å; I39-W752 HydrophobicContact CD1-CZ2 3.69Å; I39-W752 HydrophobicContact CG2-CH2 4.38Å; S750-W752 PolarHBondContact O-N 3Å; W752-L755 HydrophobicContact CE3-CD2 3.74Å; W752-L755 HydrophobicContact CZ3-CD2 3.66Å; W752-H756 WeakPolarHBondContact O-CB 3.33Å; W752-H756 PolarHBondContact O-N 3.5Å; W752-L896 WeakPolarHBondContact CB-O 3.32Å; W752-L896 HydrophobicContact CD2-CD1 3.75Å; W752-L896 HydrophobicContact CD2-CG 4.19Å; W752-L896 HydrophobicContact CE3-CD1 4.21Å; W752-L896 HydrophobicContact CG-CD1 4.11Å; W752-L896 HydrophobicContact CG-CG 4.26Å; W752-L896 HydrophobicContact CH2-CD1 4.37Å; W752-L896 HydrophobicContact CZ2-CD1 3.93Å; W752-L896 HydrophobicContact CZ3-CD1 4.5Å; W752-L897 HydrophobicContact CB-CD2 4.01Å; W752-L897 WeakPolarHBondContact O-CD2 3.47Å |
| 753 | Q | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 171 | -72.5 | 168.4 | -0.1 | 0 | 0 | 111.1 | F749 S750 H756 C757 F841 L897 | F749-Q753 HydrophobicContact CB-CB 4.16Å; F749-Q753 VanDerWaalsContact CD1-OE1 3.3Å; F749-Q753 HydrophobicContact CG-CB 4.5Å; S750-Q753 WeakPolarHBondContact O-CB 3.45Å; S750-Q753 PolarHBondContact O-N 2.97Å; S750-Q753 VanDerWaalsContact OG-CG 3.24Å; S750-Q753 WeakPolarHBondContact OG-CG 3.33Å; S750-Q753 PolarHBondContact OG-N 3.11Å; Q753-H756 PolarHBondContact O-N 2.93Å; Q753-C757 PolarHBondContact O-N 2.97Å; Q753-C757 PolarHBondContact O-SG 3.48Å; Q753-F841 HydrophobicContact CB-CD2 3.72Å; Q753-F841 HydrophobicContact CB-CE2 3.52Å; Q753-F841 HydrophobicContact CB-CZ 4.2Å; Q753-F841 HydrophobicContact CG-CD1 4.36Å; Q753-F841 HydrophobicContact CG-CD2 3.74Å; Q753-F841 HydrophobicContact CG-CE1 4.29Å; Q753-F841 HydrophobicContact CG-CE2 3.65Å; Q753-F841 HydrophobicContact CG-CG 4.09Å; Q753-F841 HydrophobicContact CG-CZ 3.92Å; Q753-L897 HydrophobicContact CG-CD2 4.48Å; Q753-L897 WeakPolarHBondContact CG-O 3.14Å; Q753-L897 PolarHBondContact NE2-O 3.42Å |
| 754 | Y | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 174 | -77.3 | -63.3 | 0 | 0 | 0 | 112.2 | W32 Y37 I254 I739 N748 F749 S750 Q751 H756 C757 D758 | W32-Y754 HydrophobicContact CH2-CD2 4.46Å; W32-Y754 HydrophobicContact CH2-CE1 4.24Å; W32-Y754 HydrophobicContact CH2-CE2 4.03Å; W32-Y754 AromaticContact CH2-CZ 3.91Å; W32-Y754 HydrophobicContact CZ3-CD2 4.41Å; W32-Y754 HydrophobicContact CZ3-CE2 4.07Å; Y37-Y754 HydrophobicContact CD1-CD2 4.2Å; Y37-Y754 AromaticContact CE1-CD2 3.7Å; Y37-Y754 HydrophobicContact CE1-CD2 3.7Å; Y37-Y754 AromaticContact CE1-CE2 3.76Å; Y37-Y754 HydrophobicContact CE1-CE2 3.76Å; Y37-Y754 AromaticContact CZ-CE2 3.93Å; I254-Y754 HydrophobicContact CD1-CE1 3.9Å; I739-Y754 HydrophobicContact CD1-CE1 4.41Å; I739-Y754 WeakPolarHBondContact CD1-OH 3.28Å; I739-Y754 WeakPolarHBondContact CG1-OH 3.47Å; N748-Y754 PolarHBondContact OD1-OH 3.29Å; F749-Y754 HydrophobicContact CB-CD2 4.06Å; F749-Y754 HydrophobicContact CB-CE1 4.24Å; F749-Y754 HydrophobicContact CB-CE2 3.66Å; F749-Y754 HydrophobicContact CB-CG 4.5Å; F749-Y754 HydrophobicContact CD2-CE1 4.07Å; F749-Y754 WeakPolarHBondContact O-CE2 3.29Å; S750-Y754 WeakPolarHBondContact O-CD2 3.36Å; S750-Y754 PolarHBondContact O-N 3.44Å; Q751-Y754 PolarHBondContact O-N 2.98Å; Y754-H756 VanDerWaalsContact C-N 3.32Å; Y754-H756 PolarHBondContact O-N 3.44Å; Y754-C757 PolarHBondContact O-N 3.47Å; Y754-D758 WeakPolarHBondContact O-CB 3.3Å; Y754-D758 PolarHBondContact O-N 2.9Å |
| 755 | L | 91.8 | Very high | 90.1 | Very high | 30 Ų | 30 | 20.3 Ų | 20.3 | 16% | 0.157 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.1 | -170.2 | 75.6 | 0 | 0 | 0 | 111.8 | C43 Q751 W752 F759 | C43-L755 HydrophobicContact CB-CD1 3.87Å; Q751-L755 WeakPolarHBondContact O-CB 3.45Å; Q751-L755 PolarHBondContact O-N 2.98Å; W752-L755 HydrophobicContact CE3-CD2 3.74Å; W752-L755 HydrophobicContact CZ3-CD2 3.66Å; L755-F759 HydrophobicContact CD1-CB 4.35Å; L755-F759 HydrophobicContact CD1-CD2 3.54Å; L755-F759 HydrophobicContact CD1-CE2 4.04Å; L755-F759 HydrophobicContact CD1-CG 4.08Å; L755-F759 HydrophobicContact CG-CD2 4.48Å; L755-F759 WeakPolarHBondContact O-CB 3.27Å; L755-F759 PolarHBondContact O-N 2.93Å |
| 756 | H | 92.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 19.2 Ų | 19.2 | 6% | 0.06 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -62.7 | -48.9 | 176.9 | -178.1 | 60.6 | 0 | 0 | 0 | 112 | W752 Q753 Y754 V760 I761 F841 F881 L897 | W752-H756 WeakPolarHBondContact O-CB 3.33Å; W752-H756 PolarHBondContact O-N 3.5Å; Q753-H756 PolarHBondContact O-N 2.93Å; Y754-H756 VanDerWaalsContact C-N 3.32Å; Y754-H756 PolarHBondContact O-N 3.44Å; H756-V760 WeakPolarHBondContact O-CA 3.3Å; H756-V760 VanDerWaalsContact O-CB 3.24Å; H756-V760 WeakPolarHBondContact O-CB 3.49Å; H756-V760 PolarHBondContact O-N 3.38Å; H756-I761 PolarHBondContact O-N 3.4Å; H756-I761 VanDerWaalsContact O-N 3.09Å; H756-F841 HydrophobicContact CB-CZ 4.46Å; H756-F841 AromaticContact CD2-CZ 3.67Å; H756-F881 AromaticContact CE1-CD1 3.38Å; H756-F881 WeakPolarHBondContact CE1-CD1 2.77Å; H756-F881 AromaticContact CE1-CE1 3.2Å; H756-F881 WeakPolarHBondContact CE1-CE1 3.47Å; H756-F881 AromaticContact ND1-CE1 3.8Å; H756-F881 AromaticContact NE2-CD1 3.86Å; H756-F881 AromaticContact NE2-CE1 3.8Å; H756-L897 HydrophobicContact CB-CD2 4.26Å |
| 757 | C | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -59.3 | -54.7 | 177.8 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | Q753 Y754 I761 I762 Y848 | Q753-C757 PolarHBondContact O-N 2.97Å; Q753-C757 PolarHBondContact O-SG 3.48Å; Y754-C757 PolarHBondContact O-N 3.47Å; C757-I761 WeakPolarHBondContact O-CB 3.29Å; C757-I761 PolarHBondContact O-N 2.89Å; C757-I762 VanDerWaalsContact O-CG1 3.3Å; C757-I762 WeakPolarHBondContact O-CG1 3.3Å; C757-I762 PolarHBondContact O-N 3.14Å; C757-Y848 HydrophobicContact CB-CD2 4.45Å; C757-Y848 HydrophobicContact CB-CE2 3.99Å |
| 758 | D | 90.8 | Very high | 91.3 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 11% | 0.107 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -80.6 | -44.8 | -166.3 | -68.1 | 5.1 | 0 | 0 | 0 | 113 | Y40 Y754 T763 | Y40-D758 HydrophobicContact CE2-CB 4.37Å; Y40-D758 PolarHBondContact OH-OD2 3.43Å; Y754-D758 WeakPolarHBondContact O-CB 3.3Å; Y754-D758 PolarHBondContact O-N 2.9Å; D758-T763 WeakPolarHBondContact O-CB 3.09Å; D758-T763 PolarHBondContact O-N 3.31Å; D758-T763 PolarHBondContact O-OG1 3.46Å |
| 759 | F | 88.1 | Confident | 91.5 | Very high | 51 Ų | 51 | 24.3 Ų | 24.3 | 22% | 0.224 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -89.7 | -40.4 | -176 | -77.3 | -92.4 | 0 | 0 | 0 | 112.7 | Y40 C43 I44 F47 L755 | Y40-F759 HydrophobicContact CE2-CE2 4.44Å; C43-F759 HydrophobicContact CB-CE2 3.9Å; C43-F759 HydrophobicContact CB-CZ 3.85Å; I44-F759 HydrophobicContact CG1-CE2 4.2Å; I44-F759 HydrophobicContact CG1-CZ 4.35Å; F47-F759 HydrophobicContact CB-CE1 4.01Å; F47-F759 HydrophobicContact CB-CZ 4.3Å; F47-F759 HydrophobicContact CD2-CE1 4.32Å; F47-F759 HydrophobicContact CG-CE1 4.2Å; L755-F759 HydrophobicContact CD1-CB 4.35Å; L755-F759 HydrophobicContact CD1-CD2 3.54Å; L755-F759 HydrophobicContact CD1-CE2 4.04Å; L755-F759 HydrophobicContact CD1-CG 4.08Å; L755-F759 HydrophobicContact CG-CD2 4.48Å; L755-F759 WeakPolarHBondContact O-CB 3.27Å; L755-F759 PolarHBondContact O-N 2.93Å |
| 760 | V | 90.7 | Very high | 91.3 | Very high | 70 Ų | 70 | 24.3 Ų | 24.3 | 42% | 0.424 | 13% | 0.125 | S | C | . | . | I | π-helix | trans | -82.6 | -46.1 | -176.2 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | H756 T764 | H756-V760 WeakPolarHBondContact O-CA 3.3Å; H756-V760 VanDerWaalsContact O-CB 3.24Å; H756-V760 WeakPolarHBondContact O-CB 3.49Å; H756-V760 PolarHBondContact O-N 3.38Å; V760-T764 WeakPolarHBondContact O-CB 3.46Å; V760-T764 WeakPolarHBondContact O-CG2 3.38Å; V760-T764 PolarHBondContact O-OG1 2.87Å |
| 761 | I | 93.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -88.7 | -65.2 | -178.4 | -58.8 | 176.5 | 0 | 0 | 0 | 110.9 | H756 C757 T764 L765 A845 I849 | H756-I761 PolarHBondContact O-N 3.4Å; H756-I761 VanDerWaalsContact O-N 3.09Å; C757-I761 WeakPolarHBondContact O-CB 3.29Å; C757-I761 PolarHBondContact O-N 2.89Å; I761-T764 PolarHBondContact O-OG1 2.9Å; I761-L765 HydrophobicContact CG2-CD1 3.62Å; I761-L765 VanDerWaalsContact O-CB 3.24Å; I761-L765 WeakPolarHBondContact O-CB 3.38Å; I761-L765 WeakPolarHBondContact O-CG 3.29Å; I761-L765 PolarHBondContact O-N 3.15Å; I761-A845 HydrophobicContact CD1-CB 3.92Å; I761-I849 HydrophobicContact CG2-CG1 4.23Å |
| 762 | I | 93 | Very high | 91.2 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -66.6 | -48.1 | -167.8 | -62.2 | -60.8 | 0 | 0 | 0 | 112.4 | F727 M728 Y731 C757 G766 Y848 | F727-I762 HydrophobicContact CE1-CD1 4.43Å; F727-I762 HydrophobicContact CE1-CG2 4.25Å; F727-I762 HydrophobicContact CE2-CD1 4.03Å; F727-I762 HydrophobicContact CZ-CD1 3.62Å; F727-I762 HydrophobicContact CZ-CG2 4.44Å; M728-I762 HydrophobicContact CE-CG2 3.96Å; M728-I762 HydrophobicContact SD-CG2 3.94Å; Y731-I762 HydrophobicContact CD1-CD1 4.15Å; Y731-I762 HydrophobicContact CD1-CG1 4.48Å; Y731-I762 HydrophobicContact CD1-CG2 3.96Å; Y731-I762 HydrophobicContact CD2-CD1 4.19Å; Y731-I762 HydrophobicContact CD2-CG1 4.1Å; Y731-I762 HydrophobicContact CE1-CG2 3.89Å; Y731-I762 HydrophobicContact CG-CD1 3.74Å; Y731-I762 HydrophobicContact CG-CG1 4.1Å; Y731-I762 HydrophobicContact CG-CG2 4.4Å; C757-I762 VanDerWaalsContact O-CG1 3.3Å; C757-I762 WeakPolarHBondContact O-CG1 3.3Å; C757-I762 PolarHBondContact O-N 3.14Å; I762-G766 PolarHBondContact O-N 2.96Å; I762-Y848 HydrophobicContact CD1-CD1 4.29Å; I762-Y848 HydrophobicContact CD1-CD2 4.4Å; I762-Y848 HydrophobicContact CD1-CG 3.9Å |
| 763 | T | 88.4 | Confident | 91.2 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 12% | 0.123 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -65.3 | -45.1 | -177.3 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | I259 D758 G766 L767 | I259-T763 HydrophobicContact CD1-CG2 4.46Å; D758-T763 WeakPolarHBondContact O-CB 3.09Å; D758-T763 PolarHBondContact O-N 3.31Å; D758-T763 PolarHBondContact O-OG1 3.46Å; T763-G766 PolarHBondContact O-N 2.96Å; T763-L767 HydrophobicContact CG2-CD1 4.26Å; T763-L767 WeakPolarHBondContact O-CG 3.41Å; T763-L767 PolarHBondContact O-N 3Å |
| 764 | T | 91.9 | Very high | 91.1 | Very high | 45 Ų | 45 | 27.2 Ų | 27.2 | 28% | 0.276 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.1 | -45.5 | -180 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | V760 I761 G766 L767 T768 N874 | V760-T764 WeakPolarHBondContact O-CB 3.46Å; V760-T764 WeakPolarHBondContact O-CG2 3.38Å; V760-T764 PolarHBondContact O-OG1 2.87Å; I761-T764 PolarHBondContact O-OG1 2.9Å; T764-G766 VanDerWaalsContact C-N 3.33Å; T764-G766 PolarHBondContact O-N 3.43Å; T764-L767 PolarHBondContact O-N 3.38Å; T764-T768 PolarHBondContact O-N 2.93Å; T764-T768 PolarHBondContact O-OG1 3.21Å; T764-N874 WeakPolarHBondContact CB-ND2 3.45Å; T764-N874 PolarHBondContact O-ND2 3.45Å; T764-N874 VanDerWaalsContact O-ND2 3.12Å; T764-N874 PolarHBondContact OG1-ND2 3.32Å; T764-N874 VanDerWaalsContact OG1-ND2 3.12Å |
| 765 | L | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 177.4 | -71.3 | 175.9 | 0 | 0 | 0 | 110.5 | F727 I761 L767 T768 F769 I849 A852 F871 N874 I875 | F727-L765 HydrophobicContact CE1-CB 4.37Å; F727-L765 HydrophobicContact CZ-CB 4.15Å; I761-L765 HydrophobicContact CG2-CD1 3.62Å; I761-L765 VanDerWaalsContact O-CB 3.24Å; I761-L765 WeakPolarHBondContact O-CB 3.38Å; I761-L765 WeakPolarHBondContact O-CG 3.29Å; I761-L765 PolarHBondContact O-N 3.15Å; L765-L767 PolarHBondContact O-N 3.02Å; L765-T768 WeakPolarHBondContact CA-OG1 3.42Å; L765-T768 PolarHBondContact O-N 3.22Å; L765-T768 PolarHBondContact O-OG1 3.25Å; L765-F769 WeakPolarHBondContact O-CB 3.28Å; L765-F769 PolarHBondContact O-N 3.31Å; L765-I849 HydrophobicContact CD1-CG1 4.32Å; L765-A852 HydrophobicContact CB-CB 4.45Å; L765-A852 HydrophobicContact CD1-CB 4.03Å; L765-F871 HydrophobicContact CD2-CD2 4.46Å; L765-F871 HydrophobicContact CD2-CE2 4.04Å; L765-N874 HydrophobicContact CD2-CB 4.45Å; L765-N874 PolarHBondContact N-ND2 3.38Å; L765-I875 HydrophobicContact CD2-CG1 3.76Å |
| 766 | G | 90.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M724 I762 T763 T764 | M724-G766 WeakPolarHBondContact CE-O 3.15Å; M724-G766 VanDerWaalsContact SD-O 3.4Å; I762-G766 PolarHBondContact O-N 2.96Å; T763-G766 PolarHBondContact O-N 2.96Å; T764-G766 VanDerWaalsContact C-N 3.33Å; T764-G766 PolarHBondContact O-N 3.43Å |
| 767 | L | 88.4 | Confident | 89.9 | Confident | 89 Ų | 89 | 40.3 Ų | 40.3 | 47% | 0.466 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.8 | -43.7 | 176.7 | -71.9 | 172.9 | 0 | 0 | 0 | 112.2 | V266 T763 T764 L765 | V266-L767 HydrophobicContact CG2-CD2 4.19Å; T763-L767 HydrophobicContact CG2-CD1 4.26Å; T763-L767 WeakPolarHBondContact O-CG 3.41Å; T763-L767 PolarHBondContact O-N 3Å; T764-L767 PolarHBondContact O-N 3.38Å; L765-L767 PolarHBondContact O-N 3.02Å |
| 768 | T | 92.5 | Very high | 89.4 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.6 | -31.4 | -177.8 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | T764 L765 G770 Y771 N868 F871 N874 | T764-T768 PolarHBondContact O-N 2.93Å; T764-T768 PolarHBondContact O-OG1 3.21Å; L765-T768 WeakPolarHBondContact CA-OG1 3.42Å; L765-T768 PolarHBondContact O-N 3.22Å; L765-T768 PolarHBondContact O-OG1 3.25Å; T768-G770 VanDerWaalsContact C-N 3.3Å; T768-G770 PolarHBondContact O-N 3.39Å; T768-Y771 PolarHBondContact O-N 3.45Å; T768-N868 PolarHBondContact O-ND2 3.14Å; T768-F871 WeakPolarHBondContact OG1-CD2 3.31Å; T768-N874 HydrophobicContact CG2-CB 4.21Å; T768-N874 PolarHBondContact OG1-ND2 3.31Å |
| 769 | F | 92.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.5 | -43.4 | 173.4 | -179.6 | -81.2 | 0 | 0 | 0 | 112.1 | T720 M724 L765 Y771 T772 F871 | T720-F769 HydrophobicContact CG2-CD1 4.26Å; T720-F769 HydrophobicContact CG2-CE1 4.26Å; M724-F769 HydrophobicContact CG-CD1 3.67Å; M724-F769 HydrophobicContact CG-CE1 3.87Å; M724-F769 HydrophobicContact SD-CB 3.83Å; M724-F769 HydrophobicContact SD-CD1 3.23Å; M724-F769 WeakPolarHBondContact SD-CD1 3.21Å; M724-F769 HydrophobicContact SD-CE1 3.9Å; M724-F769 HydrophobicContact SD-CG 3.69Å; L765-F769 WeakPolarHBondContact O-CB 3.28Å; L765-F769 PolarHBondContact O-N 3.31Å; F769-Y771 PolarHBondContact O-N 2.99Å; F769-T772 PolarHBondContact O-OG1 3.18Å; F769-T772 VanDerWaalsContact O-OG1 3.11Å; F769-F871 HydrophobicContact CB-CD2 4.29Å; F769-F871 HydrophobicContact CB-CE2 3.88Å; F769-F871 HydrophobicContact CB-CZ 4.21Å; F769-F871 HydrophobicContact CD2-CE1 4.25Å; F769-F871 HydrophobicContact CD2-CE2 4.24Å; F769-F871 AromaticContact CD2-CZ 3.73Å; F769-F871 HydrophobicContact CD2-CZ 3.73Å; F769-F871 HydrophobicContact CG-CZ 4.44Å |
| 770 | G | 86.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F270 T768 T772 | F270-G770 WeakPolarHBondContact CD2-O 3.36Å; T768-G770 VanDerWaalsContact C-N 3.3Å; T768-G770 PolarHBondContact O-N 3.39Å; G770-T772 PolarHBondContact O-N 3.39Å |
| 771 | Y | 90 | Very high | 87.7 | Confident | 99 Ų | 99 | 44.4 Ų | 44.4 | 39% | 0.388 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5.4 | -175.3 | -166.2 | -116.7 | 0 | 0 | 0 | 114.1 | F270 T768 F769 H773 | F270-Y771 AromaticContact CD1-CD2 3.95Å; F270-Y771 HydrophobicContact CD1-CD2 3.95Å; F270-Y771 HydrophobicContact CD1-CE2 4.47Å; F270-Y771 AromaticContact CE1-CD2 3.97Å; F270-Y771 HydrophobicContact CE1-CD2 3.97Å; F270-Y771 HydrophobicContact CG-CD2 4.33Å; F270-Y771 HydrophobicContact CZ-CD2 4.33Å; T768-Y771 PolarHBondContact O-N 3.45Å; F769-Y771 PolarHBondContact O-N 2.99Å; Y771-H773 PolarHBondContact O-N 3.36Å |
| 772 | T | 90.8 | Very high | 87.2 | Confident | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.08 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 136 | -178.2 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | R274 F769 G770 R862 N868 | R274-T772 PolarHBondContact NH1-O 3.5Å; F769-T772 PolarHBondContact O-OG1 3.18Å; F769-T772 VanDerWaalsContact O-OG1 3.11Å; G770-T772 PolarHBondContact O-N 3.39Å; T772-R862 HydrophobicContact CG2-CB 4.13Å; T772-N868 PolarHBondContact N-ND2 3.23Å; T772-N868 PolarHBondContact OG1-ND2 2.89Å; T772-N868 VanDerWaalsContact OG1-ND2 3.11Å |
| 773 | H | 91.5 | Very high | 86.8 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 35% | 0.347 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 154.6 | -177.9 | -79.5 | -101.4 | 0 | 0 | 0 | 113 | R274 Y771 K863 | R274-H773 VanDerWaalsContact CD-CE1 3.49Å; R274-H773 WeakPolarHBondContact CD-CE1 3.19Å; R274-H773 WeakPolarHBondContact CD-ND1 3.42Å; Y771-H773 PolarHBondContact O-N 3.36Å; H773-K863 HydrophobicContact CB-CD 4.18Å; H773-K863 PolarHBondContact O-N 3.21Å |
| 774 | A | 91.1 | Very high | 86.4 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 149.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E713 C716 K863 | E713-A774 HydrophobicContact CG-CB 4.45Å; C716-A774 HydrophobicContact CB-CB 3.64Å; A774-K863 WeakPolarHBondContact O-CE 3.28Å |
| 775 | Y | 88.9 | Confident | 85.8 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 35% | 0.353 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 138.3 | 172.4 | -159.5 | -103.1 | 0 | 0 | 0 | 110 | H777 A859 P860 Y861 | Y775-H777 VanDerWaalsContact C-N 3.31Å; Y775-H777 HydrophobicContact CD1-CB 4.11Å; Y775-H777 HydrophobicContact CE1-CB 4.07Å; Y775-H777 PolarHBondContact O-N 3.38Å; Y775-A859 HydrophobicContact CD2-CB 4.29Å; Y775-A859 HydrophobicContact CE2-CB 4.04Å; Y775-P860 WeakPolarHBondContact CB-O 3.2Å; Y775-Y861 PolarHBondContact N-O 3.14Å |
| 776 | P | 81.7 | Confident | 85.1 | Confident | 96 Ų | 96 | 56.8 Ų | 56.8 | 62% | 0.623 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -67.6 | -27.9 | -173.1 | 25.4 | -34.3 | 0 | 0 | 0 | 113.9 | ||
| 777 | H | 80.3 | Confident | 84.6 | Confident | 131 Ų | 131 | 56.6 Ų | 56.6 | 61% | 0.606 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -96.9 | 139.3 | 176.4 | -63.1 | -72.4 | 0 | 0 | 0 | 111 | Y775 S779 | Y775-H777 VanDerWaalsContact C-N 3.31Å; Y775-H777 HydrophobicContact CD1-CB 4.11Å; Y775-H777 HydrophobicContact CE1-CB 4.07Å; Y775-H777 PolarHBondContact O-N 3.38Å; H777-S779 PolarHBondContact O-N 3.12Å |
| 778 | L | 82 | Confident | 84.2 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | trans | -81.1 | 114.5 | 177.1 | -168.4 | 61.5 | 0 | 0 | 0 | 109.5 | A418 I420 I711 | A418-L778 HydrophobicContact CB-CB 4.08Å; A418-L778 HydrophobicContact CB-CD2 3.35Å; A418-L778 HydrophobicContact CB-CG 3.48Å; A418-L778 VanDerWaalsContact CB-CG 3.48Å; I420-L778 HydrophobicContact CD1-CD2 4.04Å; I711-L778 HydrophobicContact CB-CD1 4.39Å; I711-L778 HydrophobicContact CG2-CD1 3.87Å; I711-L778 HydrophobicContact CG2-CD2 4.23Å | ||
| 779 | S | 79.4 | Confident | 83.5 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 19% | 0.189 | 28% | 0.282 | C | S | . | . | trans | -56.2 | 151.8 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | A418 R715 H777 E781 | A418-S779 WeakPolarHBondContact CB-O 3.41Å; R715-S779 PolarHBondContact NH1-O 3.08Å; H777-S779 PolarHBondContact O-N 3.12Å; S779-E781 PolarHBondContact OG-N 3.01Å; S779-E781 PolarHBondContact OG-O 3.48Å | ||
| 780 | A | 76.5 | Confident | 83.1 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -74.5 | -33.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A418 | A418-A780 VanDerWaalsContact O-O 3.05Š|
| 781 | E | 78.9 | Confident | 82.8 | Confident | 119 Ų | 119 | 63.3 Ų | 63.3 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -93.3 | 120.7 | -178.9 | -65.1 | -167.2 | 173.1 | 0 | 0 | 110.5 | S779 Y861 | S779-E781 PolarHBondContact OG-N 3.01Å; S779-E781 PolarHBondContact OG-O 3.48Å; E781-Y861 WeakPolarHBondContact O-CE1 3.4Å; E781-Y861 PolarHBondContact O-OH 3.34Å |
| 782 | P | 82.9 | Confident | 82.5 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 150.3 | 173.2 | 29.1 | -34 | 0 | 0 | 0 | 111.5 | ||
| 783 | P | 84.5 | Confident | 82.4 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 157.5 | 173.2 | 31.1 | -39.1 | 0 | 0 | 0 | 111.9 | G292 V293 R715 L718 I719 Y861 | G292-P783 VanDerWaalsContact O-CD 3.3Å; G292-P783 WeakPolarHBondContact O-CD 3.42Å; V293-P783 HydrophobicContact CG1-CG 4.32Å; V293-P783 VanDerWaalsContact CG1-O 3.26Å; V293-P783 WeakPolarHBondContact CG1-O 3.28Å; R715-P783 HydrophobicContact CB-CG 4.49Å; R715-P783 HydrophobicContact CG-CG 4.16Å; L718-P783 HydrophobicContact CD2-CB 4.26Å; L718-P783 HydrophobicContact CD2-CG 3.69Å; L718-P783 HydrophobicContact CG-CG 4.44Å; I719-P783 HydrophobicContact CD1-CB 3.52Å; I719-P783 HydrophobicContact CG1-CB 3.85Å; I719-P783 HydrophobicContact CG1-CG 4.47Å; P783-Y861 HydrophobicContact CB-CE2 4.27Å |
| 784 | T | 81.2 | Confident | 82.2 | Confident | 83 Ų | 83 | 57.9 Ų | 57.9 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 133.9 | 177.4 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | F722 | F722-T784 WeakPolarHBondContact CE2-O 3.42Å; F722-T784 WeakPolarHBondContact CZ-O 3.26Å |
| 785 | M | 77.7 | Confident | 82.1 | Confident | 43 Ų | 43 | 57.5 Ų | 57.5 | 21% | 0.212 | 31% | 0.305 | C | S | . | . | trans | -83.4 | -13.7 | 175.5 | -79.3 | -136 | -69.1 | 0 | 0 | 115.7 | V293 F663 L718 L787 | V293-M785 HydrophobicContact CB-CG 3.89Å; V293-M785 HydrophobicContact CB-SD 4.39Å; V293-M785 HydrophobicContact CG1-CB 4.48Å; V293-M785 HydrophobicContact CG1-CG 3.27Å; V293-M785 HydrophobicContact CG1-SD 4.25Å; V293-M785 HydrophobicContact CG2-CE 3.69Å; V293-M785 HydrophobicContact CG2-CG 3.54Å; V293-M785 HydrophobicContact CG2-SD 3.4Å; V293-M785 WeakPolarHBondContact CG2-SD 3.22Å; F663-M785 HydrophobicContact CD1-CE 4.17Å; F663-M785 HydrophobicContact CE1-CE 3.3Å; F663-M785 HydrophobicContact CE2-CE 3.92Å; F663-M785 HydrophobicContact CZ-CE 3.16Å; L718-M785 HydrophobicContact CD2-CG 4.23Å; M785-L787 PolarHBondContact O-N 3.28Å | ||
| 786 | R | 80.7 | Confident | 82.2 | Confident | 138 Ų | 138 | 53.2 Ų | 53.2 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | trans | -82.6 | 117.7 | -179.3 | -66.2 | -170.7 | -174.5 | -168.8 | 2.2 | 109.2 | D211 S789 | D211-R786 WeakPolarHBondContact OD2-CA 3.48Å; R786-S789 WeakPolarHBondContact O-CB 3.44Å; R786-S789 PolarHBondContact O-N 2.99Å | ||
| 787 | L | 78.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -41.6 | -178.1 | -170.3 | 61.4 | 0 | 0 | 0 | 111.1 | F208 D211 V212 M264 F722 F725 M785 S789 T792 | F208-L787 HydrophobicContact CD2-CB 4.43Å; F208-L787 HydrophobicContact CE2-CB 4.4Å; F208-L787 HydrophobicContact CE2-CD1 4.1Å; F208-L787 HydrophobicContact CE2-CD2 4.3Å; D211-L787 HydrophobicContact CB-CB 3.94Å; D211-L787 PolarHBondContact OD2-N 3.11Å; V212-L787 HydrophobicContact CB-CD2 4.46Å; V212-L787 HydrophobicContact CG2-CD2 3.52Å; M264-L787 HydrophobicContact CE-CD2 4.32Å; F722-L787 HydrophobicContact CD1-CD1 3.95Å; F722-L787 HydrophobicContact CD2-CD1 4.4Å; F722-L787 HydrophobicContact CE1-CD1 4.06Å; F722-L787 HydrophobicContact CE2-CD1 4.46Å; F722-L787 HydrophobicContact CG-CD1 4.13Å; F722-L787 HydrophobicContact CZ-CD1 4.29Å; F725-L787 HydrophobicContact CB-CD1 4.05Å; F725-L787 HydrophobicContact CD1-CD1 3.42Å; F725-L787 VanDerWaalsContact CD1-CD1 3.42Å; F725-L787 HydrophobicContact CD1-CD2 4.17Å; F725-L787 HydrophobicContact CD1-CG 3.81Å; F725-L787 HydrophobicContact CD2-CD1 4.21Å; F725-L787 HydrophobicContact CD2-CD2 3.64Å; F725-L787 HydrophobicContact CD2-CG 4.22Å; F725-L787 HydrophobicContact CE1-CD1 3.83Å; F725-L787 HydrophobicContact CE1-CD2 4.05Å; F725-L787 HydrophobicContact CE1-CG 3.67Å; F725-L787 HydrophobicContact CE2-CD2 3.5Å; F725-L787 HydrophobicContact CE2-CG 4.09Å; F725-L787 HydrophobicContact CG-CD1 3.62Å; F725-L787 HydrophobicContact CG-CD2 3.96Å; F725-L787 HydrophobicContact CG-CG 4.06Å; F725-L787 HydrophobicContact CZ-CD1 4.35Å; F725-L787 HydrophobicContact CZ-CD2 3.7Å; F725-L787 HydrophobicContact CZ-CG 3.8Å; M785-L787 PolarHBondContact O-N 3.28Å; L787-S789 PolarHBondContact O-N 3.27Å; L787-T792 WeakPolarHBondContact O-CB 3.31Å |
| 788 | L | 80.2 | Confident | 83.3 | Confident | 62 Ų | 62 | 48 Ų | 48 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 36.4 | 175.9 | -67.4 | 171.1 | 0 | 0 | 0 | 112.6 | D211 Q214 F215 M793 | D211-L788 HydrophobicContact CB-CD1 4.42Å; D211-L788 HydrophobicContact CB-CG 4.49Å; Q214-L788 HydrophobicContact CB-CD1 3.87Å; F215-L788 HydrophobicContact CB-CD2 3.89Å; F215-L788 HydrophobicContact CB-CG 4.44Å; F215-L788 HydrophobicContact CD2-CD2 3.64Å; F215-L788 HydrophobicContact CG-CD2 4.21Å; L788-M793 HydrophobicContact CD2-CE 4.21Å; L788-M793 HydrophobicContact CD2-CG 4.49Å; L788-M793 HydrophobicContact CD2-SD 3.75Å |
| 789 | S | 79.2 | Confident | 83.9 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | trans | -68.2 | 148.4 | 175.7 | 94.3 | 0 | 0 | 0 | 0 | 110.5 | R786 L787 V791 T792 M793 | R786-S789 WeakPolarHBondContact O-CB 3.44Å; R786-S789 PolarHBondContact O-N 2.99Å; L787-S789 PolarHBondContact O-N 3.27Å; S789-V791 PolarHBondContact O-N 2.95Å; S789-V791 PolarHBondContact OG-N 2.87Å; S789-T792 PolarHBondContact O-N 3.15Å; S789-T792 PolarHBondContact OG-N 3.29Å; S789-T792 VanDerWaalsContact OG-N 3.1Å; S789-T792 PolarHBondContact OG-OG1 3.17Å; S789-M793 WeakPolarHBondContact O-CG 3.4Å; S789-M793 PolarHBondContact O-N 3.43Å | ||
| 790 | M | 81.8 | Confident | 84.5 | Confident | 138 Ų | 138 | 45.6 Ų | 45.6 | 68% | 0.68 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -57 | -34 | 177.2 | -73.9 | -66.4 | -172.5 | 0 | 0 | 112.6 | S794 | M790-S794 VanDerWaalsContact O-CB 3.28Å; M790-S794 WeakPolarHBondContact O-CB 3.45Å; M790-S794 PolarHBondContact O-N 3.37Å; M790-S794 PolarHBondContact O-OG 2.97Å |
| 791 | V | 81.7 | Confident | 85.4 | Confident | 40 Ų | 40 | 48 Ų | 48 | 24% | 0.242 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.8 | -49.8 | 179.4 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | S789 M793 S794 S795 V929 | S789-V791 PolarHBondContact O-N 2.95Å; S789-V791 PolarHBondContact OG-N 2.87Å; V791-M793 VanDerWaalsContact C-N 3.33Å; V791-M793 PolarHBondContact O-N 3.39Å; V791-S794 WeakPolarHBondContact CA-OG 3.32Å; V791-S794 PolarHBondContact O-N 3.32Å; V791-S794 PolarHBondContact O-OG 2.9Å; V791-S795 PolarHBondContact O-N 3.14Å; V791-V929 HydrophobicContact CG1-CG1 3.87Å |
| 792 | T | 84.1 | Confident | 86.2 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 178.5 | -46.5 | 0 | 0 | 0 | 0 | 111.2 | K726 L787 S789 S795 L796 | K726-T792 HydrophobicContact CD-CG2 3.99Å; K726-T792 HydrophobicContact CG-CG2 3.77Å; L787-T792 WeakPolarHBondContact O-CB 3.31Å; S789-T792 PolarHBondContact O-N 3.15Å; S789-T792 PolarHBondContact OG-N 3.29Å; S789-T792 VanDerWaalsContact OG-N 3.1Å; S789-T792 PolarHBondContact OG-OG1 3.17Å; T792-S795 PolarHBondContact O-N 3.1Å; T792-L796 WeakPolarHBondContact O-CB 3.42Å; T792-L796 PolarHBondContact O-N 3.15Å |
| 793 | M | 87.9 | Confident | 86.8 | Confident | 23 Ų | 23 | 41 Ų | 41 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.2 | -39.9 | 179.1 | -65.3 | -62.6 | 97.8 | 0 | 0 | 111.9 | F215 F725 L788 S789 V791 S795 L796 F797 | F215-M793 HydrophobicContact CD2-SD 4.38Å; F215-M793 HydrophobicContact CE2-CE 4.33Å; F215-M793 HydrophobicContact CE2-SD 4.23Å; F725-M793 HydrophobicContact CE1-CE 4Å; L788-M793 HydrophobicContact CD2-CE 4.21Å; L788-M793 HydrophobicContact CD2-CG 4.49Å; L788-M793 HydrophobicContact CD2-SD 3.75Å; S789-M793 WeakPolarHBondContact O-CG 3.4Å; S789-M793 PolarHBondContact O-N 3.43Å; V791-M793 VanDerWaalsContact C-N 3.33Å; V791-M793 PolarHBondContact O-N 3.39Å; M793-S795 VanDerWaalsContact C-N 3.32Å; M793-S795 PolarHBondContact O-N 2.94Å; M793-L796 HydrophobicContact CE-CD2 4.13Å; M793-L796 PolarHBondContact O-N 2.86Å; M793-F797 HydrophobicContact CB-CD2 4.15Å; M793-F797 HydrophobicContact CB-CE2 4.2Å; M793-F797 WeakPolarHBondContact O-CB 3.43Å; M793-F797 WeakPolarHBondContact O-CD2 3.36Å; M793-F797 PolarHBondContact O-N 3.34Å; M793-F797 HydrophobicContact SD-CE2 4.16Å |
| 794 | S | 86.1 | Confident | 87.2 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 26% | 0.259 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 176 | 60 | 0 | 0 | 0 | 0 | 112.8 | M790 V791 G798 | M790-S794 VanDerWaalsContact O-CB 3.28Å; M790-S794 WeakPolarHBondContact O-CB 3.45Å; M790-S794 PolarHBondContact O-N 3.37Å; M790-S794 PolarHBondContact O-OG 2.97Å; V791-S794 WeakPolarHBondContact CA-OG 3.32Å; V791-S794 PolarHBondContact O-N 3.32Å; V791-S794 PolarHBondContact O-OG 2.9Å; S794-G798 WeakPolarHBondContact O-CA 3.39Å; S794-G798 PolarHBondContact O-N 2.99Å |
| 795 | S | 90.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -54.7 | 173 | 160.9 | 0 | 0 | 0 | 0 | 110.2 | V791 T792 M793 F797 G798 Q799 F855 E926 | V791-S795 PolarHBondContact O-N 3.14Å; T792-S795 PolarHBondContact O-N 3.1Å; M793-S795 VanDerWaalsContact C-N 3.32Å; M793-S795 PolarHBondContact O-N 2.94Å; S795-F797 PolarHBondContact O-N 3.33Å; S795-G798 PolarHBondContact O-N 3.39Å; S795-Q799 WeakPolarHBondContact O-CG 3.48Å; S795-Q799 PolarHBondContact O-N 2.93Å; S795-F855 WeakPolarHBondContact OG-CE1 3.26Å; S795-E926 WeakPolarHBondContact CB-OE2 3.32Å; S795-E926 PolarHBondContact OG-OE1 3.21Å; S795-E926 PolarHBondContact OG-OE2 3.02Å |
| 796 | L | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.8 | -55.3 | -179.6 | 177.7 | 64.6 | 0 | 0 | 0 | 112.7 | F215 K726 A729 T792 M793 G798 Q799 V800 F855 | F215-L796 HydrophobicContact CE2-CD2 4.06Å; F215-L796 HydrophobicContact CZ-CD2 3.97Å; K726-L796 WeakPolarHBondContact O-CD1 3.41Å; A729-L796 HydrophobicContact CB-CD1 4Å; A729-L796 HydrophobicContact CB-CD2 3.85Å; T792-L796 WeakPolarHBondContact O-CB 3.42Å; T792-L796 PolarHBondContact O-N 3.15Å; M793-L796 HydrophobicContact CE-CD2 4.13Å; M793-L796 PolarHBondContact O-N 2.86Å; L796-G798 VanDerWaalsContact C-N 3.31Å; L796-G798 PolarHBondContact O-N 2.88Å; L796-Q799 PolarHBondContact O-N 2.87Å; L796-V800 HydrophobicContact CD1-CG2 4.3Å; L796-V800 VanDerWaalsContact O-CG2 3.26Å; L796-V800 WeakPolarHBondContact O-CG2 3.24Å; L796-V800 PolarHBondContact O-N 3.2Å; L796-F855 HydrophobicContact CD1-CZ 4.38Å |
| 797 | F | 91.5 | Very high | 89.5 | Confident | 100 Ų | 100 | 37.3 Ų | 37.3 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.5 | -33.9 | -179.1 | -72.5 | -62.2 | 0 | 0 | 0 | 112.2 | M793 S795 V800 I801 | M793-F797 HydrophobicContact CB-CD2 4.15Å; M793-F797 HydrophobicContact CB-CE2 4.2Å; M793-F797 WeakPolarHBondContact O-CB 3.43Å; M793-F797 WeakPolarHBondContact O-CD2 3.36Å; M793-F797 PolarHBondContact O-N 3.34Å; M793-F797 HydrophobicContact SD-CE2 4.16Å; S795-F797 PolarHBondContact O-N 3.33Å; F797-V800 PolarHBondContact O-N 3.36Å; F797-I801 WeakPolarHBondContact O-CB 3.5Å; F797-I801 WeakPolarHBondContact O-CD1 3.36Å; F797-I801 WeakPolarHBondContact O-CG1 3.43Å; F797-I801 PolarHBondContact O-N 2.94Å |
| 798 | G | 92.4 | Very high | 90.3 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -49.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S794 S795 L796 I801 I802 | S794-G798 WeakPolarHBondContact O-CA 3.39Å; S794-G798 PolarHBondContact O-N 2.99Å; S795-G798 PolarHBondContact O-N 3.39Å; L796-G798 VanDerWaalsContact C-N 3.31Å; L796-G798 PolarHBondContact O-N 2.88Å; G798-I801 PolarHBondContact O-N 3.09Å; G798-I802 VanDerWaalsContact O-CG1 3.3Å; G798-I802 WeakPolarHBondContact O-CG1 3.42Å; G798-I802 PolarHBondContact O-N 2.81Å |
| 799 | Q | 94.6 | Very high | 91 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 177.5 | -62.7 | -58.7 | -17.8 | 0 | 0 | 112.5 | S795 L796 I802 G803 L851 F855 S922 E926 | S795-Q799 WeakPolarHBondContact O-CG 3.48Å; S795-Q799 PolarHBondContact O-N 2.93Å; L796-Q799 PolarHBondContact O-N 2.87Å; Q799-I802 PolarHBondContact O-N 3.4Å; Q799-G803 PolarHBondContact O-N 2.98Å; Q799-L851 HydrophobicContact CB-CD2 3.73Å; Q799-L851 HydrophobicContact CG-CD2 4.27Å; Q799-F855 HydrophobicContact CB-CE1 4.43Å; Q799-F855 HydrophobicContact CB-CZ 3.99Å; Q799-F855 HydrophobicContact CG-CE1 3.6Å; Q799-F855 HydrophobicContact CG-CZ 3.66Å; Q799-S922 VanDerWaalsContact CD-OG 3.28Å; Q799-S922 PolarHBondContact NE2-O 2.91Å; Q799-S922 PolarHBondContact NE2-OG 3.17Å; Q799-S922 VanDerWaalsContact OE1-CB 3.23Å; Q799-S922 PolarHBondContact OE1-OG 3.44Å; Q799-E926 PolarHBondContact NE2-OE2 3.43Å |
| 800 | V | 93.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | 179.3 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | L733 F737 L796 F797 G803 F804 | L733-V800 HydrophobicContact CB-CG1 4.01Å; L733-V800 HydrophobicContact CB-CG2 3.88Å; L733-V800 HydrophobicContact CD1-CG2 3.97Å; F737-V800 HydrophobicContact CD2-CG1 3.93Å; F737-V800 HydrophobicContact CE2-CG1 3.38Å; F737-V800 HydrophobicContact CZ-CG1 4.46Å; L796-V800 HydrophobicContact CD1-CG2 4.3Å; L796-V800 VanDerWaalsContact O-CG2 3.26Å; L796-V800 WeakPolarHBondContact O-CG2 3.24Å; L796-V800 PolarHBondContact O-N 3.2Å; F797-V800 PolarHBondContact O-N 3.36Å; V800-G803 PolarHBondContact O-N 3.18Å; V800-F804 PolarHBondContact O-N 3.28Å |
| 801 | I | 94.7 | Very high | 92.2 | Very high | 100 Ų | 100 | 30.9 Ų | 30.9 | 51% | 0.513 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 177.1 | -70.6 | 165.1 | 0 | 0 | 0 | 111 | F797 G798 G803 F804 I805 | F797-I801 WeakPolarHBondContact O-CB 3.5Å; F797-I801 WeakPolarHBondContact O-CD1 3.36Å; F797-I801 WeakPolarHBondContact O-CG1 3.43Å; F797-I801 PolarHBondContact O-N 2.94Å; G798-I801 PolarHBondContact O-N 3.09Å; I801-G803 VanDerWaalsContact C-N 3.3Å; I801-G803 PolarHBondContact O-N 2.86Å; I801-F804 PolarHBondContact O-N 2.93Å; I801-I805 HydrophobicContact CG2-CD1 3.83Å; I801-I805 VanDerWaalsContact O-CG1 3.32Å; I801-I805 WeakPolarHBondContact O-CG1 3.38Å; I801-I805 PolarHBondContact O-N 2.89Å |
| 802 | I | 95.2 | Very high | 92.8 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 175.2 | -64.8 | 165.3 | 0 | 0 | 0 | 109.8 | G798 Q799 F804 I805 I806 N918 A921 V925 | G798-I802 VanDerWaalsContact O-CG1 3.3Å; G798-I802 WeakPolarHBondContact O-CG1 3.42Å; G798-I802 PolarHBondContact O-N 2.81Å; Q799-I802 PolarHBondContact O-N 3.4Å; I802-F804 PolarHBondContact O-N 3.1Å; I802-I805 PolarHBondContact O-N 3.31Å; I802-I806 HydrophobicContact CG2-CD1 3.81Å; I802-I806 WeakPolarHBondContact O-CG1 3.45Å; I802-I806 PolarHBondContact O-N 3.44Å; I802-I806 VanDerWaalsContact O-N 3.1Å; I802-N918 WeakPolarHBondContact CG2-OD1 3.35Å; I802-A921 HydrophobicContact CD1-CB 4.39Å; I802-A921 HydrophobicContact CG2-CB 4.05Å; I802-V925 HydrophobicContact CD1-CB 3.96Å; I802-V925 HydrophobicContact CD1-CG1 4.39Å; I802-V925 HydrophobicContact CD1-CG2 3.64Å |
| 803 | G | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.5 | -50.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q799 V800 I801 I806 Q807 Q847 | Q799-G803 PolarHBondContact O-N 2.98Å; V800-G803 PolarHBondContact O-N 3.18Å; I801-G803 VanDerWaalsContact C-N 3.3Å; I801-G803 PolarHBondContact O-N 2.86Å; G803-I806 PolarHBondContact O-N 2.74Å; G803-Q807 WeakPolarHBondContact O-CG 3.43Å; G803-Q807 PolarHBondContact O-N 2.9Å; G803-Q847 PolarHBondContact O-NE2 3.49Å |
| 804 | F | 94.6 | Very high | 93.5 | Very high | 79 Ų | 79 | 34.4 Ų | 34.4 | 35% | 0.346 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 178.5 | 177.3 | -110.1 | 0 | 0 | 0 | 112.9 | F737 L741 V800 I801 I802 I806 Q807 A808 | F737-F804 HydrophobicContact CB-CD2 3.86Å; F737-F804 AromaticContact CD1-CD2 3.81Å; F737-F804 HydrophobicContact CD1-CD2 3.81Å; F737-F804 HydrophobicContact CD1-CE2 4.09Å; F737-F804 HydrophobicContact CD2-CB 4.41Å; F737-F804 HydrophobicContact CD2-CD2 4.49Å; F737-F804 HydrophobicContact CG-CB 4.5Å; F737-F804 AromaticContact CG-CD2 3.79Å; F737-F804 HydrophobicContact CG-CD2 3.79Å; F737-F804 HydrophobicContact CG-CE2 4.47Å; F737-F804 HydrophobicContact CG-CG 4.45Å; L741-F804 HydrophobicContact CD1-CE2 4.42Å; L741-F804 HydrophobicContact CD2-CE2 4.19Å; L741-F804 HydrophobicContact CG-CE2 4.3Å; V800-F804 PolarHBondContact O-N 3.28Å; I801-F804 PolarHBondContact O-N 2.93Å; I802-F804 PolarHBondContact O-N 3.1Å; F804-I806 VanDerWaalsContact C-N 3.29Å; F804-I806 PolarHBondContact O-N 2.98Å; F804-Q807 PolarHBondContact O-N 3.49Å; F804-A808 VanDerWaalsContact O-CB 3.32Å; F804-A808 WeakPolarHBondContact O-CB 3.44Å; F804-A808 PolarHBondContact O-N 3.19Å |
| 805 | I | 96 | Very high | 93.7 | Very high | 96 Ų | 96 | 37.1 Ų | 37.1 | 49% | 0.492 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59 | -43.7 | -180 | -69.6 | 167.1 | 0 | 0 | 0 | 110.7 | I801 I802 T809 | I801-I805 HydrophobicContact CG2-CD1 3.83Å; I801-I805 VanDerWaalsContact O-CG1 3.32Å; I801-I805 WeakPolarHBondContact O-CG1 3.38Å; I801-I805 PolarHBondContact O-N 2.89Å; I802-I805 PolarHBondContact O-N 3.31Å; I805-T809 WeakPolarHBondContact O-CB 3.26Å; I805-T809 PolarHBondContact O-N 3.49Å; I805-T809 PolarHBondContact O-OG1 2.88Å |
| 806 | I | 95.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.9 | -40 | -178.3 | -64.9 | 177.5 | 0 | 0 | 0 | 111.1 | I802 G803 F804 T809 A810 V843 M914 N918 | I802-I806 HydrophobicContact CG2-CD1 3.81Å; I802-I806 WeakPolarHBondContact O-CG1 3.45Å; I802-I806 PolarHBondContact O-N 3.44Å; I802-I806 VanDerWaalsContact O-N 3.1Å; G803-I806 PolarHBondContact O-N 2.74Å; F804-I806 VanDerWaalsContact C-N 3.29Å; F804-I806 PolarHBondContact O-N 2.98Å; I806-T809 PolarHBondContact O-N 3.4Å; I806-A810 PolarHBondContact O-N 3.32Å; I806-V843 HydrophobicContact CG2-CG1 3.99Å; I806-M914 HydrophobicContact CG2-CB 4.42Å; I806-M914 HydrophobicContact CG2-CE 3.88Å; I806-M914 VanDerWaalsContact O-CE 3.24Å; I806-M914 WeakPolarHBondContact O-CE 3.12Å; I806-N918 HydrophobicContact CD1-CB 3.32Å; I806-N918 WeakPolarHBondContact CD1-OD1 3.48Å |
| 807 | Q | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -47.3 | 173.8 | -73.3 | -176.8 | -19.5 | 0 | 0 | 112.3 | I734 S738 L741 G803 F804 T809 A810 F811 V843 Q847 | I734-Q807 VanDerWaalsContact CG2-NE2 3.27Å; S738-Q807 PolarHBondContact OG-NE2 3.12Å; S738-Q807 PolarHBondContact OG-OE1 3.48Å; L741-Q807 HydrophobicContact CD1-CB 3.7Å; G803-Q807 WeakPolarHBondContact O-CG 3.43Å; G803-Q807 PolarHBondContact O-N 2.9Å; F804-Q807 PolarHBondContact O-N 3.49Å; Q807-T809 VanDerWaalsContact C-N 3.28Å; Q807-T809 PolarHBondContact O-N 2.97Å; Q807-A810 PolarHBondContact O-N 2.84Å; Q807-F811 WeakPolarHBondContact O-CB 3.45Å; Q807-F811 PolarHBondContact O-N 3.27Å; Q807-V843 HydrophobicContact CG-CG1 4.12Å; Q807-Q847 VanDerWaalsContact CD-OE1 3.29Å; Q807-Q847 VanDerWaalsContact CG-OE1 3.27Å |
| 808 | A | 94.8 | Very high | 93.6 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L741 F804 F811 I812 | L741-A808 HydrophobicContact CD1-CB 4.46Å; L741-A808 HydrophobicContact CD2-CB 4.33Å; F804-A808 VanDerWaalsContact O-CB 3.32Å; F804-A808 WeakPolarHBondContact O-CB 3.44Å; F804-A808 PolarHBondContact O-N 3.19Å; A808-F811 PolarHBondContact O-N 3.41Å; A808-I812 WeakPolarHBondContact O-CB 3.32Å; A808-I812 WeakPolarHBondContact O-CD1 3.23Å; A808-I812 WeakPolarHBondContact O-CG1 2.99Å; A808-I812 PolarHBondContact O-N 3.41Å |
| 809 | T | 95 | Very high | 93.4 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 174.8 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | I805 I806 Q807 F811 I812 L813 M914 | I805-T809 WeakPolarHBondContact O-CB 3.26Å; I805-T809 PolarHBondContact O-N 3.49Å; I805-T809 PolarHBondContact O-OG1 2.88Å; I806-T809 PolarHBondContact O-N 3.4Å; Q807-T809 VanDerWaalsContact C-N 3.28Å; Q807-T809 PolarHBondContact O-N 2.97Å; T809-F811 VanDerWaalsContact C-N 3.34Å; T809-F811 PolarHBondContact O-N 3.37Å; T809-I812 PolarHBondContact O-N 2.95Å; T809-L813 HydrophobicContact CG2-CD1 3.69Å; T809-L813 HydrophobicContact CG2-CG 4.03Å; T809-L813 VanDerWaalsContact O-CB 3.28Å; T809-L813 WeakPolarHBondContact O-CB 3.3Å; T809-L813 VanDerWaalsContact O-CG 3.24Å; T809-L813 WeakPolarHBondContact O-CG 3.11Å; T809-L813 PolarHBondContact O-N 3.06Å; T809-M914 HydrophobicContact CG2-CE 3.86Å |
| 810 | A | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I806 Q807 I812 L813 I814 V843 M914 | I806-A810 PolarHBondContact O-N 3.32Å; Q807-A810 PolarHBondContact O-N 2.84Å; A810-I812 VanDerWaalsContact C-N 3.34Å; A810-I812 PolarHBondContact O-N 3.16Å; A810-L813 PolarHBondContact O-N 3.36Å; A810-I814 PolarHBondContact O-N 2.87Å; A810-I814 VanDerWaalsContact O-N 3.14Å; A810-V843 HydrophobicContact CB-CG2 3.9Å; A810-M914 HydrophobicContact CB-CE 3.69Å; A810-M914 HydrophobicContact CB-SD 4.29Å |
| 811 | F | 93.7 | Very high | 92.6 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 5% | 0.053 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 176.8 | -177.6 | -93.3 | 0 | 0 | 0 | 113 | L741 L742 V744 V745 Q807 A808 T809 I814 E836 V840 | L741-F811 HydrophobicContact CB-CD2 4.36Å; L741-F811 HydrophobicContact CB-CE2 4.47Å; L741-F811 VanDerWaalsContact O-CE2 3.26Å; L741-F811 WeakPolarHBondContact O-CE2 3.31Å; L741-F811 WeakPolarHBondContact O-CZ 3.3Å; L742-F811 HydrophobicContact CD2-CE2 4.39Å; V744-F811 HydrophobicContact CB-CZ 4.28Å; V745-F811 HydrophobicContact CG2-CE2 4.07Å; V745-F811 HydrophobicContact CG2-CZ 3.76Å; Q807-F811 WeakPolarHBondContact O-CB 3.45Å; Q807-F811 PolarHBondContact O-N 3.27Å; A808-F811 PolarHBondContact O-N 3.41Å; T809-F811 VanDerWaalsContact C-N 3.34Å; T809-F811 PolarHBondContact O-N 3.37Å; F811-I814 WeakPolarHBondContact O-CG2 3.22Å; F811-E836 HydrophobicContact CD2-CB 3.99Å; F811-E836 HydrophobicContact CD2-CG 4.26Å; F811-E836 HydrophobicContact CE2-CB 3.92Å; F811-E836 HydrophobicContact CE2-CG 4.09Å; F811-V840 HydrophobicContact CB-CG2 4.2Å; F811-V840 HydrophobicContact CD2-CG2 3.99Å |
| 812 | I | 93.6 | Very high | 92 | Very high | 89 Ų | 89 | 54.7 Ų | 54.7 | 46% | 0.456 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -77 | -46.6 | 176.8 | -69.3 | 166.7 | 0 | 0 | 0 | 110.9 | A808 T809 A810 I814 R815 F816 | A808-I812 WeakPolarHBondContact O-CB 3.32Å; A808-I812 WeakPolarHBondContact O-CD1 3.23Å; A808-I812 WeakPolarHBondContact O-CG1 2.99Å; A808-I812 PolarHBondContact O-N 3.41Å; T809-I812 PolarHBondContact O-N 2.95Å; A810-I812 VanDerWaalsContact C-N 3.34Å; A810-I812 PolarHBondContact O-N 3.16Å; I812-I814 VanDerWaalsContact C-N 3.29Å; I812-I814 PolarHBondContact O-N 3.41Å; I812-R815 WeakPolarHBondContact O-CB 3.33Å; I812-R815 PolarHBondContact O-N 3.01Å; I812-R815 VanDerWaalsContact O-N 3.12Å; I812-F816 HydrophobicContact CG2-CD2 3.75Å; I812-F816 HydrophobicContact CG2-CE2 3.36Å; I812-F816 WeakPolarHBondContact O-CD2 3.41Å; I812-F816 PolarHBondContact O-N 3.43Å |
| 813 | L | 93.3 | Very high | 91 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -33.6 | -175.9 | -76.8 | 179.6 | 0 | 0 | 0 | 113.1 | T809 A810 R815 F816 Q817 F907 I910 M914 | T809-L813 HydrophobicContact CG2-CD1 3.69Å; T809-L813 HydrophobicContact CG2-CG 4.03Å; T809-L813 VanDerWaalsContact O-CB 3.28Å; T809-L813 WeakPolarHBondContact O-CB 3.3Å; T809-L813 VanDerWaalsContact O-CG 3.24Å; T809-L813 WeakPolarHBondContact O-CG 3.11Å; T809-L813 PolarHBondContact O-N 3.06Å; A810-L813 PolarHBondContact O-N 3.36Å; L813-R815 VanDerWaalsContact C-N 3.29Å; L813-R815 PolarHBondContact O-N 3.49Å; L813-F816 PolarHBondContact O-N 3.01Å; L813-Q817 WeakPolarHBondContact O-CG 3.47Å; L813-Q817 PolarHBondContact O-NE2 2.92Å; L813-F907 HydrophobicContact CB-CE2 4.26Å; L813-I910 HydrophobicContact CD1-CG2 4.29Å; L813-M914 HydrophobicContact CD1-SD 4.07Å |
| 814 | I | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 177.3 | -166.9 | 145.9 | 0 | 0 | 0 | 112.3 | A810 F811 I812 F816 Q817 W819 Y820 E836 S839 F907 | A810-I814 PolarHBondContact O-N 2.87Å; A810-I814 VanDerWaalsContact O-N 3.14Å; F811-I814 WeakPolarHBondContact O-CG2 3.22Å; I812-I814 VanDerWaalsContact C-N 3.29Å; I812-I814 PolarHBondContact O-N 3.41Å; I814-F816 VanDerWaalsContact C-N 3.28Å; I814-F816 PolarHBondContact O-N 2.71Å; I814-Q817 WeakPolarHBondContact O-CB 3.35Å; I814-Q817 WeakPolarHBondContact O-CG 3.28Å; I814-Q817 PolarHBondContact O-N 2.75Å; I814-W819 HydrophobicContact CD1-CH2 3.83Å; I814-W819 HydrophobicContact CD1-CZ3 4.23Å; I814-W819 HydrophobicContact CG1-CH2 3.92Å; I814-W819 HydrophobicContact CG1-CZ3 4.28Å; I814-Y820 HydrophobicContact CG1-CD2 4.38Å; I814-Y820 WeakPolarHBondContact O-CB 3.47Å; I814-E836 HydrophobicContact CG2-CG 4.23Å; I814-S839 WeakPolarHBondContact CD1-OG 3.42Å; I814-F907 HydrophobicContact CB-CE1 4.3Å; I814-F907 HydrophobicContact CB-CE2 4.18Å; I814-F907 HydrophobicContact CB-CZ 3.63Å; I814-F907 HydrophobicContact CD1-CD1 4.45Å; I814-F907 HydrophobicContact CD1-CE1 3.69Å; I814-F907 HydrophobicContact CD1-CZ 3.93Å; I814-F907 HydrophobicContact CG1-CE1 4.23Å; I814-F907 HydrophobicContact CG1-CZ 3.99Å |
| 815 | R | 90.5 | Very high | 88.7 | Confident | 94 Ų | 94 | 58.4 Ų | 58.4 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.7 | -23.8 | 178.9 | -63.1 | 179.6 | 176.3 | -160.6 | 2.1 | 113.3 | I812 L813 Q817 Y820 | I812-R815 WeakPolarHBondContact O-CB 3.33Å; I812-R815 PolarHBondContact O-N 3.01Å; I812-R815 VanDerWaalsContact O-N 3.12Å; L813-R815 VanDerWaalsContact C-N 3.29Å; L813-R815 PolarHBondContact O-N 3.49Å; R815-Q817 VanDerWaalsContact C-N 3.27Å; R815-Y820 HydrophobicContact CB-CD1 4.46Å; R815-Y820 HydrophobicContact CB-CE1 4.26Å; R815-Y820 HydrophobicContact CG-CE1 4.19Å; R815-Y820 HydrophobicContact CG-CE2 4.06Å |
| 816 | F | 91.8 | Very high | 87.2 | Confident | 162 Ų | 162 | 62.8 Ų | 62.8 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.5 | 175.8 | -76.5 | -62.5 | 0 | 0 | 0 | 113.6 | I812 L813 I814 | I812-F816 HydrophobicContact CG2-CD2 3.75Å; I812-F816 HydrophobicContact CG2-CE2 3.36Å; I812-F816 WeakPolarHBondContact O-CD2 3.41Å; I812-F816 PolarHBondContact O-N 3.43Å; L813-F816 PolarHBondContact O-N 3.01Å; I814-F816 VanDerWaalsContact C-N 3.28Å; I814-F816 PolarHBondContact O-N 2.71Å |
| 817 | Q | 90.3 | Very high | 86 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -75.1 | 142.6 | -179.5 | -59.1 | -56.7 | -52.5 | 0 | 0 | 111.6 | L813 I814 R815 W819 Y820 F907 | L813-Q817 WeakPolarHBondContact O-CG 3.47Å; L813-Q817 PolarHBondContact O-NE2 2.92Å; I814-Q817 WeakPolarHBondContact O-CB 3.35Å; I814-Q817 WeakPolarHBondContact O-CG 3.28Å; I814-Q817 PolarHBondContact O-N 2.75Å; R815-Q817 VanDerWaalsContact C-N 3.27Å; Q817-W819 HydrophobicContact CB-CD2 4Å; Q817-W819 HydrophobicContact CB-CG 4.4Å; Q817-W819 HydrophobicContact CB-CH2 4.34Å; Q817-W819 HydrophobicContact CB-CZ2 3.74Å; Q817-W819 HydrophobicContact CG-CH2 4.22Å; Q817-W819 HydrophobicContact CG-CZ2 3.59Å; Q817-W819 PolarHBondContact O-N 3.17Å; Q817-Y820 VanDerWaalsContact O-CB 3.25Å; Q817-Y820 WeakPolarHBondContact O-CB 3.33Å; Q817-Y820 PolarHBondContact O-N 2.94Å; Q817-Y820 VanDerWaalsContact O-N 3.11Å; Q817-F907 HydrophobicContact CG-CD2 3.71Å; Q817-F907 HydrophobicContact CG-CE2 3.96Å; Q817-F907 HydrophobicContact CG-CG 4.49Å |
| 818 | S | 88.5 | Confident | 84.7 | Confident | 126 Ų | 126 | 69.4 Ų | 69.4 | 88% | 0.881 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.9 | -178.7 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 819 | W | 89.7 | Confident | 83.6 | Confident | 46 Ų | 46 | 76 Ų | 76 | 17% | 0.174 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 1.3 | 179 | 49.9 | -94.9 | 0 | 0 | 0 | 113.1 | I814 Q817 M821 Y835 I902 P903 F907 | I814-W819 HydrophobicContact CD1-CH2 3.83Å; I814-W819 HydrophobicContact CD1-CZ3 4.23Å; I814-W819 HydrophobicContact CG1-CH2 3.92Å; I814-W819 HydrophobicContact CG1-CZ3 4.28Å; Q817-W819 HydrophobicContact CB-CD2 4Å; Q817-W819 HydrophobicContact CB-CG 4.4Å; Q817-W819 HydrophobicContact CB-CH2 4.34Å; Q817-W819 HydrophobicContact CB-CZ2 3.74Å; Q817-W819 HydrophobicContact CG-CH2 4.22Å; Q817-W819 HydrophobicContact CG-CZ2 3.59Å; Q817-W819 PolarHBondContact O-N 3.17Å; W819-M821 PolarHBondContact O-N 3.35Å; W819-Y835 HydrophobicContact CE3-CE1 4.24Å; W819-Y835 AromaticContact CZ3-CD1 3.77Å; W819-Y835 HydrophobicContact CZ3-CD1 3.77Å; W819-Y835 AromaticContact CZ3-CE1 3.84Å; W819-Y835 HydrophobicContact CZ3-CE1 3.84Å; W819-Y835 HydrophobicContact CZ3-CG 4.34Å; W819-I902 HydrophobicContact CH2-CG2 3.76Å; W819-I902 HydrophobicContact CZ2-CG2 3.97Å; W819-P903 HydrophobicContact CB-CG 4.07Å; W819-P903 HydrophobicContact CD2-CG 3.53Å; W819-P903 HydrophobicContact CE3-CG 3.51Å; W819-P903 HydrophobicContact CG-CG 3.78Å; W819-P903 HydrophobicContact CZ3-CG 4.21Å; W819-F907 HydrophobicContact CH2-CD1 4.17Å; W819-F907 HydrophobicContact CH2-CG 4.23Å; W819-F907 HydrophobicContact CZ2-CB 3.74Å; W819-F907 HydrophobicContact CZ2-CD1 4.17Å; W819-F907 HydrophobicContact CZ2-CD2 4.23Å; W819-F907 AromaticContact CZ2-CG 3.77Å; W819-F907 HydrophobicContact CZ2-CG 3.77Å |
| 820 | Y | 87.9 | Confident | 82.4 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 19% | 0.192 | 38% | 0.376 | C | S | . | . | trans | -66.6 | 129.8 | -179.9 | 171.5 | -102.3 | 0 | 0 | 0 | 110.8 | I814 R815 Q817 P822 Y835 E836 | I814-Y820 HydrophobicContact CG1-CD2 4.38Å; I814-Y820 WeakPolarHBondContact O-CB 3.47Å; R815-Y820 HydrophobicContact CB-CD1 4.46Å; R815-Y820 HydrophobicContact CB-CE1 4.26Å; R815-Y820 HydrophobicContact CG-CE1 4.19Å; R815-Y820 HydrophobicContact CG-CE2 4.06Å; Q817-Y820 VanDerWaalsContact O-CB 3.25Å; Q817-Y820 WeakPolarHBondContact O-CB 3.33Å; Q817-Y820 PolarHBondContact O-N 2.94Å; Q817-Y820 VanDerWaalsContact O-N 3.11Å; Y820-P822 HydrophobicContact CE1-CB 4.14Å; Y820-Y835 HydrophobicContact CD2-CD2 4.45Å; Y820-E836 HydrophobicContact CE2-CG 4.47Å; Y820-E836 WeakPolarHBondContact CE2-OE1 3.39Å; Y820-E836 PolarHBondContact OH-OE1 3.29Å | ||
| 821 | M | 82.9 | Confident | 81.7 | Confident | 113 Ų | 113 | 74.9 Ų | 74.9 | 56% | 0.557 | 38% | 0.381 | S | S | * | . | trans | -123 | 127.3 | 172.7 | -64.1 | 179.1 | 179.7 | 0 | 0 | 108.3 | W819 L823 Y835 | W819-M821 PolarHBondContact O-N 3.35Å; M821-L823 PolarHBondContact O-N 3.25Å; M821-Y835 HydrophobicContact CB-CE2 4.31Å; M821-Y835 WeakPolarHBondContact O-CD2 3.43Å | ||
| 822 | P | 81 | Confident | 81.3 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 34% | 0.344 | 39% | 0.389 | S | S | . | . | trans | -75.5 | 72.6 | 179.1 | 31.9 | -35.5 | 0 | 0 | 0 | 110.3 | Y820 Y824 S825 Y826 | Y820-P822 HydrophobicContact CE1-CB 4.14Å; P822-Y824 PolarHBondContact O-N 3.47Å; P822-Y824 VanDerWaalsContact O-N 3.1Å; P822-S825 WeakPolarHBondContact O-CB 3.46Å; P822-S825 PolarHBondContact O-N 3.15Å; P822-Y826 HydrophobicContact CG-CE2 4.31Å; P822-Y826 WeakPolarHBondContact O-CD2 3.45Å | ||
| 823 | L | 76 | Confident | 80.9 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -51.6 | -39.2 | -171.9 | -71.3 | 171.1 | 0 | 0 | 0 | 112.7 | M821 S825 Y826 S827 S830 Y835 V900 | M821-L823 PolarHBondContact O-N 3.25Å; L823-S825 PolarHBondContact O-N 3.09Å; L823-Y826 WeakPolarHBondContact O-CB 2.88Å; L823-Y826 PolarHBondContact O-N 2.75Å; L823-S827 PolarHBondContact O-N 3Å; L823-S830 PolarHBondContact O-OG 3.1Å; L823-Y835 HydrophobicContact CD1-CD2 3.89Å; L823-Y835 HydrophobicContact CD1-CE2 3.71Å; L823-Y835 HydrophobicContact CG-CD2 4.31Å; L823-Y835 HydrophobicContact CG-CE2 4.11Å; L823-V900 HydrophobicContact CD1-CG1 4.45Å; L823-V900 HydrophobicContact CD1-CG2 4.3Å |
| 824 | Y | 70.5 | Confident | 80.6 | Confident | 32 Ų | 32 | 75.7 Ų | 75.7 | 13% | 0.125 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -59.3 | -33.2 | 179.5 | -170 | -102.4 | 0 | 0 | 0 | 113.9 | K239 V745 G746 P822 Y826 S830 E831 | K239-Y824 WeakPolarHBondContact CE-OH 3.15Å; K239-Y824 PolarHBondContact NZ-OH 3.38Å; V745-Y824 HydrophobicContact CG1-CD1 4.07Å; V745-Y824 HydrophobicContact CG1-CG 4.05Å; V745-Y824 WeakPolarHBondContact O-CD1 3.48Å; V745-Y824 WeakPolarHBondContact O-CE1 3.41Å; G746-Y824 WeakPolarHBondContact O-CE2 3.36Å; G746-Y824 PolarHBondContact O-OH 2.99Å; P822-Y824 PolarHBondContact O-N 3.47Å; P822-Y824 VanDerWaalsContact O-N 3.1Å; Y824-Y826 PolarHBondContact O-N 3.1Å; Y824-S830 VanDerWaalsContact CA-OG 3.24Å; Y824-S830 WeakPolarHBondContact CA-OG 3.43Å; Y824-S830 PolarHBondContact N-OG 3.4Å; Y824-E831 HydrophobicContact CE2-CB 4.05Å; Y824-E831 HydrophobicContact CE2-CG 4.37Å |
| 825 | S | 68.9 | Low | 80.6 | Confident | 102 Ų | 102 | 77.1 Ų | 77.1 | 71% | 0.713 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -67.6 | -17 | 178.2 | -167.6 | 0 | 0 | 0 | 0 | 112.9 | P822 L823 | P822-S825 WeakPolarHBondContact O-CB 3.46Å; P822-S825 PolarHBondContact O-N 3.15Å; L823-S825 PolarHBondContact O-N 3.09Å |
| 826 | Y | 64.7 | Low | 80.6 | Confident | 187 Ų | 187 | 72.7 Ų | 72.7 | 73% | 0.733 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -31.6 | -177.6 | -68.9 | -83.1 | 0 | 0 | 0 | 113.3 | P822 L823 Y824 | P822-Y826 HydrophobicContact CG-CE2 4.31Å; P822-Y826 WeakPolarHBondContact O-CD2 3.45Å; L823-Y826 WeakPolarHBondContact O-CB 2.88Å; L823-Y826 PolarHBondContact O-N 2.75Å; Y824-Y826 PolarHBondContact O-N 3.1Å |
| 827 | S | 70.7 | Confident | 80.7 | Confident | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | trans | -155.2 | 133.9 | 179.2 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | L823 I829 S830 | L823-S827 PolarHBondContact O-N 3Å; S827-I829 PolarHBondContact O-N 3.35Å; S827-I829 VanDerWaalsContact O-N 3.13Å; S827-S830 PolarHBondContact O-N 2.86Å; S827-S830 PolarHBondContact O-OG 3.47Å; S827-S830 PolarHBondContact OG-N 3.09Å; S827-S830 PolarHBondContact OG-OG 2.9Å | ||
| 828 | N | 69 | Low | 80.8 | Confident | 116 Ų | 116 | 62.8 Ų | 62.8 | 62% | 0.62 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -59.1 | -22.7 | 168.6 | -70.9 | -26.1 | 0 | 0 | 0 | 111.7 | S830 E831 | N828-S830 PolarHBondContact O-N 3.45Å; N828-S830 VanDerWaalsContact O-N 3.17Å; N828-E831 WeakPolarHBondContact O-CB 3.42Å; N828-E831 PolarHBondContact O-N 2.92Å; N828-E831 VanDerWaalsContact O-N 3.07Å |
| 829 | I | 70 | Confident | 81 | Confident | 155 Ų | 155 | 56.8 Ų | 56.8 | 80% | 0.795 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -59.2 | -25.9 | 174.5 | -56.3 | 169.7 | 0 | 0 | 0 | 111.7 | S827 E831 | S827-I829 PolarHBondContact O-N 3.35Å; S827-I829 VanDerWaalsContact O-N 3.13Å; I829-E831 VanDerWaalsContact C-N 3.29Å; I829-E831 PolarHBondContact O-N 3.41Å |
| 830 | S | 71.6 | Confident | 81.2 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -90.3 | 20.7 | 177.6 | 65 | 0 | 0 | 0 | 0 | 114.3 | L823 Y824 S827 N828 F832 N834 | L823-S830 PolarHBondContact O-OG 3.1Å; Y824-S830 VanDerWaalsContact CA-OG 3.24Å; Y824-S830 WeakPolarHBondContact CA-OG 3.43Å; Y824-S830 PolarHBondContact N-OG 3.4Å; S827-S830 PolarHBondContact O-N 2.86Å; S827-S830 PolarHBondContact O-OG 3.47Å; S827-S830 PolarHBondContact OG-N 3.09Å; S827-S830 PolarHBondContact OG-OG 2.9Å; N828-S830 PolarHBondContact O-N 3.45Å; N828-S830 VanDerWaalsContact O-N 3.17Å; S830-F832 VanDerWaalsContact C-N 3.27Å; S830-F832 PolarHBondContact O-N 2.6Å; S830-N834 PolarHBondContact O-ND2 3.09Å |
| 831 | E | 78.7 | Confident | 81.6 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -51.8 | -45.6 | 172.4 | -178.3 | 174.3 | -173 | 0 | 0 | 112 | R247 G747 N748 Y824 N828 I829 N834 | R247-E831 IonicContact CZ-OE1 3.26Å; R247-E831 IonicContact NE-OE1 3.85Å; R247-E831 PolarHBondContact NE-OE1 3.28Å; R247-E831 IonicContact NH2-OE1 2.75Å; R247-E831 PolarHBondContact NH2-OE1 3.48Å; R247-E831 IonicContact NH2-OE2 3.18Å; R247-E831 PolarHBondContact NH2-OE2 2.83Å; G747-E831 VanDerWaalsContact CA-O 3.27Å; G747-E831 WeakPolarHBondContact CA-O 3.5Å; N748-E831 PolarHBondContact N-O 2.95Å; Y824-E831 HydrophobicContact CE2-CB 4.05Å; Y824-E831 HydrophobicContact CE2-CG 4.37Å; N828-E831 WeakPolarHBondContact O-CB 3.42Å; N828-E831 PolarHBondContact O-N 2.92Å; N828-E831 VanDerWaalsContact O-N 3.07Å; I829-E831 VanDerWaalsContact C-N 3.29Å; I829-E831 PolarHBondContact O-N 3.41Å; E831-N834 PolarHBondContact O-ND2 3.4Å |
| 832 | F | 84.3 | Confident | 82.1 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -94 | -33.9 | -179.7 | -48.3 | -61.9 | 0 | 0 | 0 | 112.9 | N748 S830 N834 | N748-F832 HydrophobicContact CB-CD1 4.41Å; N748-F832 HydrophobicContact CB-CE1 4.28Å; S830-F832 VanDerWaalsContact C-N 3.27Å; S830-F832 PolarHBondContact O-N 2.6Å; F832-N834 PolarHBondContact O-N 3.45Å |
| 833 | R | 86.3 | Confident | 82.8 | Confident | 128 Ų | 128 | 44.9 Ų | 44.9 | 48% | 0.483 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -96 | 75.1 | -173.7 | -170 | -176 | -67.6 | -173.6 | -0.5 | 111.3 | V900 | R833-V900 HydrophobicContact CB-CG2 4.46Å; R833-V900 HydrophobicContact CG-CG2 3.5Å |
| 834 | N | 87.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -134.6 | 164 | 174.8 | 58.9 | 37.5 | 0 | 0 | 0 | 112.2 | S830 E831 F832 E836 S837 T838 | S830-N834 PolarHBondContact O-ND2 3.09Å; E831-N834 PolarHBondContact O-ND2 3.4Å; F832-N834 PolarHBondContact O-N 3.45Å; N834-E836 VanDerWaalsContact C-N 3.33Å; N834-S837 WeakPolarHBondContact OD1-CA 3.4Å; N834-S837 WeakPolarHBondContact OD1-CB 3.28Å; N834-S837 PolarHBondContact OD1-N 2.89Å; N834-T838 PolarHBondContact O-N 3.43Å; N834-T838 PolarHBondContact O-OG1 3.01Å |
| 835 | Y | 91.1 | Very high | 84.8 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.2 | -35.7 | -176.4 | -72.3 | -70.4 | 0 | 0 | 0 | 111.6 | W819 Y820 M821 L823 S839 V900 | W819-Y835 HydrophobicContact CE3-CE1 4.24Å; W819-Y835 AromaticContact CZ3-CD1 3.77Å; W819-Y835 HydrophobicContact CZ3-CD1 3.77Å; W819-Y835 AromaticContact CZ3-CE1 3.84Å; W819-Y835 HydrophobicContact CZ3-CE1 3.84Å; W819-Y835 HydrophobicContact CZ3-CG 4.34Å; Y820-Y835 HydrophobicContact CD2-CD2 4.45Å; M821-Y835 HydrophobicContact CB-CE2 4.31Å; M821-Y835 WeakPolarHBondContact O-CD2 3.43Å; L823-Y835 HydrophobicContact CD1-CD2 3.89Å; L823-Y835 HydrophobicContact CD1-CE2 3.71Å; L823-Y835 HydrophobicContact CG-CD2 4.31Å; L823-Y835 HydrophobicContact CG-CE2 4.11Å; Y835-S839 WeakPolarHBondContact O-CB 3.33Å; Y835-S839 PolarHBondContact O-N 3.3Å; Y835-S839 PolarHBondContact O-OG 2.8Å; Y835-V900 HydrophobicContact CD1-CB 4.15Å; Y835-V900 HydrophobicContact CD1-CG1 3.57Å; Y835-V900 HydrophobicContact CE1-CB 4.28Å; Y835-V900 HydrophobicContact CE1-CG1 3.24Å; Y835-V900 HydrophobicContact CE2-CG1 4.31Å; Y835-V900 HydrophobicContact CG-CG1 4.24Å |
| 836 | E | 91.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -50.5 | 179 | -60.7 | 93.5 | 144.9 | 0 | 0 | 111.8 | L742 V745 F811 I814 Y820 N834 T838 S839 V840 | L742-E836 HydrophobicContact CD2-CB 4.17Å; V745-E836 HydrophobicContact CG2-CG 4.4Å; F811-E836 HydrophobicContact CD2-CB 3.99Å; F811-E836 HydrophobicContact CD2-CG 4.26Å; F811-E836 HydrophobicContact CE2-CB 3.92Å; F811-E836 HydrophobicContact CE2-CG 4.09Å; I814-E836 HydrophobicContact CG2-CG 4.23Å; Y820-E836 HydrophobicContact CE2-CG 4.47Å; Y820-E836 WeakPolarHBondContact CE2-OE1 3.39Å; Y820-E836 PolarHBondContact OH-OE1 3.29Å; N834-E836 VanDerWaalsContact C-N 3.33Å; E836-T838 VanDerWaalsContact C-N 3.32Å; E836-T838 PolarHBondContact O-N 3.24Å; E836-S839 PolarHBondContact O-N 3.01Å; E836-V840 WeakPolarHBondContact O-CB 3.21Å; E836-V840 VanDerWaalsContact O-CG2 3.31Å; E836-V840 WeakPolarHBondContact O-CG2 3.34Å; E836-V840 PolarHBondContact O-N 2.9Å |
| 837 | S | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | N748 N834 S839 V840 F841 | N748-S837 PolarHBondContact O-OG 3.28Å; N834-S837 WeakPolarHBondContact OD1-CA 3.4Å; N834-S837 WeakPolarHBondContact OD1-CB 3.28Å; N834-S837 PolarHBondContact OD1-N 2.89Å; S837-S839 PolarHBondContact O-N 3.36Å; S837-V840 PolarHBondContact O-N 2.81Å; S837-F841 WeakPolarHBondContact O-CB 3.39Å; S837-F841 PolarHBondContact O-N 3.43Å |
| 838 | T | 92.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 112 | N834 E836 I842 L899 V900 | N834-T838 PolarHBondContact O-N 3.43Å; N834-T838 PolarHBondContact O-OG1 3.01Å; E836-T838 VanDerWaalsContact C-N 3.32Å; E836-T838 PolarHBondContact O-N 3.24Å; T838-I842 HydrophobicContact CG2-CD1 3.88Å; T838-I842 WeakPolarHBondContact O-CB 3.46Å; T838-I842 WeakPolarHBondContact O-CD1 3.25Å; T838-I842 VanDerWaalsContact O-CG1 3.25Å; T838-I842 WeakPolarHBondContact O-CG1 3.47Å; T838-I842 PolarHBondContact O-N 3.13Å; T838-L899 HydrophobicContact CG2-CB 4.25Å; T838-L899 HydrophobicContact CG2-CD2 4.06Å; T838-V900 WeakPolarHBondContact CG2-O 3.1Å; T838-V900 PolarHBondContact OG1-N 3.16Å |
| 839 | S | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.5 | -44.5 | -178.5 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | I814 Y835 E836 S837 I842 V843 | I814-S839 WeakPolarHBondContact CD1-OG 3.42Å; Y835-S839 WeakPolarHBondContact O-CB 3.33Å; Y835-S839 PolarHBondContact O-N 3.3Å; Y835-S839 PolarHBondContact O-OG 2.8Å; E836-S839 PolarHBondContact O-N 3.01Å; S837-S839 PolarHBondContact O-N 3.36Å; S839-I842 PolarHBondContact O-N 3.41Å; S839-V843 WeakPolarHBondContact O-CG2 3.42Å; S839-V843 PolarHBondContact O-N 2.79Å |
| 840 | V | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 177.3 | 175 | 0 | 0 | 0 | 0 | 110.2 | L742 F749 F811 E836 S837 V843 S844 | L742-V840 HydrophobicContact CD2-CB 4.32Å; L742-V840 HydrophobicContact CD2-CG2 4.23Å; F749-V840 HydrophobicContact CE1-CG1 4.37Å; F749-V840 HydrophobicContact CZ-CG1 4.12Å; F811-V840 HydrophobicContact CB-CG2 4.2Å; F811-V840 HydrophobicContact CD2-CG2 3.99Å; E836-V840 WeakPolarHBondContact O-CB 3.21Å; E836-V840 VanDerWaalsContact O-CG2 3.31Å; E836-V840 WeakPolarHBondContact O-CG2 3.34Å; E836-V840 PolarHBondContact O-N 2.9Å; S837-V840 PolarHBondContact O-N 2.81Å; V840-V843 PolarHBondContact O-N 2.93Å; V840-S844 VanDerWaalsContact O-CB 3.23Å; V840-S844 WeakPolarHBondContact O-CB 3.2Å; V840-S844 PolarHBondContact O-N 2.83Å; V840-S844 PolarHBondContact O-OG 2.69Å |
| 841 | F | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 175.4 | 172.7 | -107 | 0 | 0 | 0 | 111.5 | F749 Q753 H756 S837 V843 S844 A845 L885 L897 L899 | F749-F841 HydrophobicContact CD1-CB 4.27Å; F749-F841 HydrophobicContact CE1-CB 3.64Å; F749-F841 HydrophobicContact CE1-CD2 4.43Å; F749-F841 HydrophobicContact CZ-CB 4.14Å; Q753-F841 HydrophobicContact CB-CD2 3.72Å; Q753-F841 HydrophobicContact CB-CE2 3.52Å; Q753-F841 HydrophobicContact CB-CZ 4.2Å; Q753-F841 HydrophobicContact CG-CD1 4.36Å; Q753-F841 HydrophobicContact CG-CD2 3.74Å; Q753-F841 HydrophobicContact CG-CE1 4.29Å; Q753-F841 HydrophobicContact CG-CE2 3.65Å; Q753-F841 HydrophobicContact CG-CG 4.09Å; Q753-F841 HydrophobicContact CG-CZ 3.92Å; H756-F841 HydrophobicContact CB-CZ 4.46Å; H756-F841 AromaticContact CD2-CZ 3.67Å; S837-F841 WeakPolarHBondContact O-CB 3.39Å; S837-F841 PolarHBondContact O-N 3.43Å; F841-V843 PolarHBondContact O-N 2.83Å; F841-S844 WeakPolarHBondContact CA-OG 3.48Å; F841-S844 PolarHBondContact O-N 3.16Å; F841-S844 PolarHBondContact O-OG 3.06Å; F841-A845 PolarHBondContact O-N 2.71Å; F841-L885 HydrophobicContact CE1-CD1 4.45Å; F841-L897 HydrophobicContact CE1-CD1 4.48Å; F841-L899 HydrophobicContact CD1-CD2 3.61Å; F841-L899 HydrophobicContact CE1-CD2 3.95Å; F841-L899 HydrophobicContact CG-CD2 4.48Å |
| 842 | I | 93.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 11.9 Ų | 11.9 | 4% | 0.041 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.4 | -49.7 | 179.3 | -72.1 | 167.2 | 0 | 0 | 0 | 110.9 | T838 S839 S844 A845 Y846 T886 | T838-I842 HydrophobicContact CG2-CD1 3.88Å; T838-I842 WeakPolarHBondContact O-CB 3.46Å; T838-I842 WeakPolarHBondContact O-CD1 3.25Å; T838-I842 VanDerWaalsContact O-CG1 3.25Å; T838-I842 WeakPolarHBondContact O-CG1 3.47Å; T838-I842 PolarHBondContact O-N 3.13Å; S839-I842 PolarHBondContact O-N 3.41Å; I842-S844 VanDerWaalsContact C-N 3.32Å; I842-S844 PolarHBondContact O-N 3.41Å; I842-A845 PolarHBondContact O-N 2.88Å; I842-Y846 HydrophobicContact CG2-CD2 4.14Å; I842-Y846 HydrophobicContact CG2-CE2 3.76Å; I842-Y846 WeakPolarHBondContact O-CD2 3.12Å; I842-Y846 PolarHBondContact O-N 3.09Å; I842-T886 HydrophobicContact CG2-CG2 3.82Å; I842-T886 VanDerWaalsContact CG2-OG1 3.28Å; I842-T886 WeakPolarHBondContact CG2-OG1 3.24Å |
| 843 | V | 95.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.012 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 179.5 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | I806 Q807 A810 S839 V840 F841 Y846 Q847 L911 | I806-V843 HydrophobicContact CG2-CG1 3.99Å; Q807-V843 HydrophobicContact CG-CG1 4.12Å; A810-V843 HydrophobicContact CB-CG2 3.9Å; S839-V843 WeakPolarHBondContact O-CG2 3.42Å; S839-V843 PolarHBondContact O-N 2.79Å; V840-V843 PolarHBondContact O-N 2.93Å; F841-V843 PolarHBondContact O-N 2.83Å; V843-Y846 PolarHBondContact O-N 3.05Å; V843-Q847 HydrophobicContact CG1-CG 4.47Å; V843-Q847 WeakPolarHBondContact O-CG 3.12Å; V843-Q847 PolarHBondContact O-N 3.34Å; V843-L911 HydrophobicContact CG2-CD2 3.97Å |
| 844 | S | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 178.1 | 74.9 | 0 | 0 | 0 | 0 | 112.6 | V840 F841 I842 Y846 Q847 Y848 | V840-S844 VanDerWaalsContact O-CB 3.23Å; V840-S844 WeakPolarHBondContact O-CB 3.2Å; V840-S844 PolarHBondContact O-N 2.83Å; V840-S844 PolarHBondContact O-OG 2.69Å; F841-S844 WeakPolarHBondContact CA-OG 3.48Å; F841-S844 PolarHBondContact O-N 3.16Å; F841-S844 PolarHBondContact O-OG 3.06Å; I842-S844 VanDerWaalsContact C-N 3.32Å; I842-S844 PolarHBondContact O-N 3.41Å; S844-Y846 VanDerWaalsContact C-N 3.35Å; S844-Y846 PolarHBondContact O-N 2.93Å; S844-Q847 WeakPolarHBondContact O-CB 3.23Å; S844-Q847 PolarHBondContact O-N 2.84Å; S844-Q847 VanDerWaalsContact O-N 3.09Å; S844-Y848 WeakPolarHBondContact O-CD2 3.01Å; S844-Y848 WeakPolarHBondContact O-CE2 3.34Å; S844-Y848 PolarHBondContact O-N 3.11Å |
| 845 | A | 94.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 6.3 Ų | 6.3 | 3% | 0.025 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I761 F841 I842 Y848 I849 | I761-A845 HydrophobicContact CD1-CB 3.92Å; F841-A845 PolarHBondContact O-N 2.71Å; I842-A845 PolarHBondContact O-N 2.88Å; A845-Y848 PolarHBondContact O-N 2.97Å; A845-I849 PolarHBondContact O-N 3.39Å |
| 846 | Y | 95.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 1% | 0.012 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -67 | -39 | 173.2 | -70.7 | -72.4 | 0 | 0 | 0 | 112.8 | I842 V843 S844 Y848 I849 I850 F879 S882 L883 T886 H912 V915 | I842-Y846 HydrophobicContact CG2-CD2 4.14Å; I842-Y846 HydrophobicContact CG2-CE2 3.76Å; I842-Y846 WeakPolarHBondContact O-CD2 3.12Å; I842-Y846 PolarHBondContact O-N 3.09Å; V843-Y846 PolarHBondContact O-N 3.05Å; S844-Y846 VanDerWaalsContact C-N 3.35Å; S844-Y846 PolarHBondContact O-N 2.93Å; Y846-Y848 VanDerWaalsContact C-N 3.27Å; Y846-Y848 PolarHBondContact O-N 3.2Å; Y846-I849 PolarHBondContact O-N 3.24Å; Y846-I850 VanDerWaalsContact O-CG1 3.24Å; Y846-I850 WeakPolarHBondContact O-CG1 3.37Å; Y846-I850 PolarHBondContact O-N 2.86Å; Y846-F879 HydrophobicContact CD1-CD2 4.11Å; Y846-F879 HydrophobicContact CD1-CE2 4.05Å; Y846-F879 HydrophobicContact CE1-CD2 4.05Å; Y846-F879 AromaticContact CE1-CE2 3.87Å; Y846-F879 HydrophobicContact CE1-CE2 3.87Å; Y846-S882 VanDerWaalsContact OH-C 3.24Å; Y846-S882 PolarHBondContact OH-O 2.84Å; Y846-S882 VanDerWaalsContact OH-O 3.1Å; Y846-L883 WeakPolarHBondContact OH-CA 3.39Å; Y846-L883 PolarHBondContact OH-N 3.04Å; Y846-T886 VanDerWaalsContact CE2-OG1 3.28Å; Y846-T886 WeakPolarHBondContact CE2-OG1 3.49Å; Y846-T886 PolarHBondContact OH-OG1 3.17Å; Y846-H912 PolarHBondContact OH-CE1 2.89Å; Y846-V915 HydrophobicContact CD1-CG1 3.67Å; Y846-V915 HydrophobicContact CD1-CG2 4.4Å; Y846-V915 HydrophobicContact CD2-CB 4.33Å; Y846-V915 HydrophobicContact CD2-CG1 4.12Å; Y846-V915 HydrophobicContact CD2-CG2 3.3Å; Y846-V915 HydrophobicContact CE1-CG1 4.27Å; Y846-V915 HydrophobicContact CE2-CG2 3.85Å; Y846-V915 HydrophobicContact CG-CB 4.25Å; Y846-V915 HydrophobicContact CG-CG1 3.57Å; Y846-V915 HydrophobicContact CG-CG2 3.61Å |
| 847 | Q | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.009 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.5 | -41.3 | 177 | -82 | 167.7 | -16.8 | 0 | 0 | 112 | I734 G803 Q807 V843 S844 I849 I850 L851 N918 | I734-Q847 HydrophobicContact CD1-CB 4.32Å; I734-Q847 HydrophobicContact CG2-CB 4.38Å; G803-Q847 PolarHBondContact O-NE2 3.49Å; Q807-Q847 VanDerWaalsContact CD-OE1 3.29Å; Q807-Q847 VanDerWaalsContact CG-OE1 3.27Å; V843-Q847 HydrophobicContact CG1-CG 4.47Å; V843-Q847 WeakPolarHBondContact O-CG 3.12Å; V843-Q847 PolarHBondContact O-N 3.34Å; S844-Q847 WeakPolarHBondContact O-CB 3.23Å; S844-Q847 PolarHBondContact O-N 2.84Å; S844-Q847 VanDerWaalsContact O-N 3.09Å; Q847-I849 PolarHBondContact O-N 3.22Å; Q847-I850 PolarHBondContact O-N 3.22Å; Q847-L851 WeakPolarHBondContact O-CG 3.43Å; Q847-L851 PolarHBondContact O-N 3.31Å; Q847-N918 WeakPolarHBondContact CG-ND2 3.46Å |
| 848 | Y | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.9 | -56.8 | -32.6 | 0 | 0 | 0 | 112.4 | F727 I734 Q735 C757 I762 S844 A845 Y846 L851 A852 | F727-Y848 WeakPolarHBondContact CE2-O 3.29Å; I734-Y848 HydrophobicContact CB-CE1 4.23Å; I734-Y848 HydrophobicContact CG2-CE1 3.86Å; Q735-Y848 WeakPolarHBondContact CB-OH 3.41Å; C757-Y848 HydrophobicContact CB-CD2 4.45Å; C757-Y848 HydrophobicContact CB-CE2 3.99Å; I762-Y848 HydrophobicContact CD1-CD1 4.29Å; I762-Y848 HydrophobicContact CD1-CD2 4.4Å; I762-Y848 HydrophobicContact CD1-CG 3.9Å; S844-Y848 WeakPolarHBondContact O-CD2 3.01Å; S844-Y848 WeakPolarHBondContact O-CE2 3.34Å; S844-Y848 PolarHBondContact O-N 3.11Å; A845-Y848 PolarHBondContact O-N 2.97Å; Y846-Y848 VanDerWaalsContact C-N 3.27Å; Y846-Y848 PolarHBondContact O-N 3.2Å; Y848-L851 PolarHBondContact O-N 3Å; Y848-A852 PolarHBondContact O-N 3.47Å; Y848-A852 VanDerWaalsContact O-N 3.16Å |
| 849 | I | 95.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 174.7 | -59.1 | 167.5 | 0 | 0 | 0 | 110.5 | I761 L765 A845 Y846 Q847 L851 A852 I853 I875 C878 F879 | I761-I849 HydrophobicContact CG2-CG1 4.23Å; L765-I849 HydrophobicContact CD1-CG1 4.32Å; A845-I849 PolarHBondContact O-N 3.39Å; Y846-I849 PolarHBondContact O-N 3.24Å; Q847-I849 PolarHBondContact O-N 3.22Å; I849-L851 PolarHBondContact O-N 3.05Å; I849-A852 WeakPolarHBondContact O-CB 3.48Å; I849-A852 PolarHBondContact O-N 3.05Å; I849-I853 HydrophobicContact CG2-CD1 4.29Å; I849-I853 WeakPolarHBondContact O-CG1 3.33Å; I849-I853 PolarHBondContact O-N 3.4Å; I849-I875 HydrophobicContact CG2-CG2 4.07Å; I849-C878 HydrophobicContact CD1-CB 3.77Å; I849-C878 HydrophobicContact CG1-CB 4.07Å; I849-F879 HydrophobicContact CD1-CB 4.45Å |
| 850 | I | 95.2 | Very high | 91.5 | Very high | 11 Ų | 11 | 15.5 Ų | 15.5 | 6% | 0.056 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 178.5 | -67.3 | 164.5 | 0 | 0 | 0 | 110.9 | Y846 Q847 A852 I853 A854 V915 N918 F919 | Y846-I850 VanDerWaalsContact O-CG1 3.24Å; Y846-I850 WeakPolarHBondContact O-CG1 3.37Å; Y846-I850 PolarHBondContact O-N 2.86Å; Q847-I850 PolarHBondContact O-N 3.22Å; I850-A852 VanDerWaalsContact C-N 3.33Å; I850-A852 PolarHBondContact O-N 3.06Å; I850-I853 PolarHBondContact O-N 3.36Å; I850-A854 WeakPolarHBondContact O-CB 3.25Å; I850-A854 PolarHBondContact O-N 3.49Å; I850-V915 HydrophobicContact CD1-CG1 4.34Å; I850-N918 HydrophobicContact CD1-CB 3.99Å; I850-N918 WeakPolarHBondContact CD1-ND2 3.39Å; I850-F919 HydrophobicContact CD1-CB 4.06Å; I850-F919 HydrophobicContact CG1-CB 4.24Å; I850-F919 HydrophobicContact CG1-CD2 4.17Å; I850-F919 HydrophobicContact CG2-CD2 4.31Å |
| 851 | L | 94.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 175.9 | -75.1 | -178.1 | 0 | 0 | 0 | 112.1 | F727 I734 Q799 Q847 Y848 I849 I853 A854 F855 | F727-L851 HydrophobicContact CD2-CB 4.04Å; F727-L851 HydrophobicContact CE2-CB 4.29Å; I734-L851 HydrophobicContact CD1-CD1 3.59Å; I734-L851 HydrophobicContact CD1-CD2 4.23Å; I734-L851 HydrophobicContact CD1-CG 4.06Å; I734-L851 HydrophobicContact CG1-CD1 4.48Å; Q799-L851 HydrophobicContact CB-CD2 3.73Å; Q799-L851 HydrophobicContact CG-CD2 4.27Å; Q847-L851 WeakPolarHBondContact O-CG 3.43Å; Q847-L851 PolarHBondContact O-N 3.31Å; Y848-L851 PolarHBondContact O-N 3Å; I849-L851 PolarHBondContact O-N 3.05Å; L851-I853 VanDerWaalsContact C-N 3.27Å; L851-I853 PolarHBondContact O-N 3.47Å; L851-A854 PolarHBondContact O-N 2.97Å; L851-F855 HydrophobicContact CB-CD2 4.44Å; L851-F855 HydrophobicContact CB-CE2 4.31Å; L851-F855 HydrophobicContact CD2-CE2 3.75Å; L851-F855 HydrophobicContact CD2-CZ 3.99Å; L851-F855 HydrophobicContact CG-CE2 4.49Å; L851-F855 VanDerWaalsContact O-CD2 3.3Å; L851-F855 WeakPolarHBondContact O-CD2 3.13Å; L851-F855 PolarHBondContact O-N 3.32Å |
| 852 | A | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F727 L765 Y848 I849 I850 S856 F871 | F727-A852 HydrophobicContact CD2-CB 4.16Å; F727-A852 HydrophobicContact CE2-CB 3.72Å; F727-A852 HydrophobicContact CZ-CB 4.08Å; L765-A852 HydrophobicContact CB-CB 4.45Å; L765-A852 HydrophobicContact CD1-CB 4.03Å; Y848-A852 PolarHBondContact O-N 3.47Å; Y848-A852 VanDerWaalsContact O-N 3.16Å; I849-A852 WeakPolarHBondContact O-CB 3.48Å; I849-A852 PolarHBondContact O-N 3.05Å; I850-A852 VanDerWaalsContact C-N 3.33Å; I850-A852 PolarHBondContact O-N 3.06Å; A852-S856 VanDerWaalsContact O-CB 3.32Å; A852-S856 WeakPolarHBondContact O-CB 3.46Å; A852-S856 PolarHBondContact O-OG 3.22Å; A852-F871 HydrophobicContact CB-CE2 4.48Å; A852-F871 HydrophobicContact CB-CZ 4.17Å |
| 853 | I | 93.1 | Very high | 90.7 | Very high | 48 Ų | 48 | 20.5 Ų | 20.5 | 25% | 0.246 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.7 | -49.8 | 175.9 | -61.9 | 166.5 | 0 | 0 | 0 | 110.6 | I849 I850 L851 F855 S856 I865 I875 F919 | I849-I853 HydrophobicContact CG2-CD1 4.29Å; I849-I853 WeakPolarHBondContact O-CG1 3.33Å; I849-I853 PolarHBondContact O-N 3.4Å; I850-I853 PolarHBondContact O-N 3.36Å; L851-I853 VanDerWaalsContact C-N 3.27Å; L851-I853 PolarHBondContact O-N 3.47Å; I853-F855 VanDerWaalsContact C-N 3.32Å; I853-F855 PolarHBondContact O-N 3.01Å; I853-S856 PolarHBondContact O-N 3.45Å; I853-S856 PolarHBondContact O-OG 3.35Å; I853-I865 HydrophobicContact CG2-CD1 4.5Å; I853-I875 HydrophobicContact CD1-CG2 3.99Å; I853-I875 HydrophobicContact CG1-CD1 3.89Å; I853-I875 HydrophobicContact CG1-CG2 4.39Å; I853-F919 HydrophobicContact CD1-CE2 4.29Å; I853-F919 HydrophobicContact CG2-CE2 4.17Å |
| 854 | A | 91.7 | Very high | 90.5 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 12% | 0.116 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.8 | -42.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I850 L851 S856 S922 | I850-A854 WeakPolarHBondContact O-CB 3.25Å; I850-A854 PolarHBondContact O-N 3.49Å; L851-A854 PolarHBondContact O-N 2.97Å; A854-S856 VanDerWaalsContact C-N 3.32Å; A854-S856 PolarHBondContact O-N 3.37Å; A854-S922 WeakPolarHBondContact CB-OG 3.44Å |
| 855 | F | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.3 | -179.9 | -58.5 | -39.7 | 0 | 0 | 0 | 114.6 | K726 F727 S795 L796 Q799 L851 I853 E857 | K726-F855 HydrophobicContact CB-CB 4.29Å; K726-F855 HydrophobicContact CB-CD1 3.98Å; K726-F855 HydrophobicContact CB-CD2 3.73Å; K726-F855 HydrophobicContact CB-CE1 4.17Å; K726-F855 HydrophobicContact CB-CE2 3.91Å; K726-F855 HydrophobicContact CB-CG 3.74Å; K726-F855 HydrophobicContact CB-CZ 4.12Å; K726-F855 HydrophobicContact CD-CD1 3.82Å; K726-F855 HydrophobicContact CD-CE1 4.03Å; K726-F855 HydrophobicContact CD-CG 4.36Å; K726-F855 VanDerWaalsContact O-CE2 3.28Å; K726-F855 WeakPolarHBondContact O-CE2 3.24Å; F727-F855 HydrophobicContact CB-CD2 4.13Å; S795-F855 WeakPolarHBondContact OG-CE1 3.26Å; L796-F855 HydrophobicContact CD1-CZ 4.38Å; Q799-F855 HydrophobicContact CB-CE1 4.43Å; Q799-F855 HydrophobicContact CB-CZ 3.99Å; Q799-F855 HydrophobicContact CG-CE1 3.6Å; Q799-F855 HydrophobicContact CG-CZ 3.66Å; L851-F855 HydrophobicContact CB-CD2 4.44Å; L851-F855 HydrophobicContact CB-CE2 4.31Å; L851-F855 HydrophobicContact CD2-CE2 3.75Å; L851-F855 HydrophobicContact CD2-CZ 3.99Å; L851-F855 HydrophobicContact CG-CE2 4.49Å; L851-F855 VanDerWaalsContact O-CD2 3.3Å; L851-F855 WeakPolarHBondContact O-CD2 3.13Å; L851-F855 PolarHBondContact O-N 3.32Å; I853-F855 VanDerWaalsContact C-N 3.32Å; I853-F855 PolarHBondContact O-N 3.01Å; F855-E857 PolarHBondContact O-N 2.85Å; F855-E857 VanDerWaalsContact O-N 3.15Å |
| 856 | S | 87.4 | Confident | 89.9 | Confident | 20 Ų | 20 | 30.7 Ų | 30.7 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | trans | -87 | 46.3 | 179.2 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | A852 I853 A854 G858 I865 | A852-S856 VanDerWaalsContact O-CB 3.32Å; A852-S856 WeakPolarHBondContact O-CB 3.46Å; A852-S856 PolarHBondContact O-OG 3.22Å; I853-S856 PolarHBondContact O-N 3.45Å; I853-S856 PolarHBondContact O-OG 3.35Å; A854-S856 VanDerWaalsContact C-N 3.32Å; A854-S856 PolarHBondContact O-N 3.37Å; S856-G858 PolarHBondContact O-N 2.84Å; S856-I865 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 857 | E | 80.4 | Confident | 89.7 | Confident | 59 Ų | 59 | 33.7 Ų | 33.7 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | trans | -54.8 | 133.7 | 177.1 | -68.5 | 166.4 | -121.3 | 0 | 0 | 112.2 | K726 F855 R862 D930 | K726-E857 IonicContact NZ-OE1 3.61Å; K726-E857 PolarHBondContact NZ-OE1 3.25Å; F855-E857 PolarHBondContact O-N 2.85Å; F855-E857 VanDerWaalsContact O-N 3.15Å; E857-R862 VanDerWaalsContact O-CZ 3.27Å; E857-R862 PolarHBondContact O-NE 3.22Å; E857-R862 PolarHBondContact O-NH2 3.15Å; E857-D930 WeakPolarHBondContact CG-OD2 3.36Å | ||
| 858 | G | 78.9 | Confident | 89.6 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | trans | -89.9 | -112.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S856 R862 K863 | S856-G858 PolarHBondContact O-N 2.84Å; G858-R862 CarbonylContact C-O 3.58Å; G858-R862 PolarHBondContact O-N 2.99Å; G858-R862 VanDerWaalsContact O-O 3.14Å; G858-K863 WeakPolarHBondContact CA-O 3.24Å | ||
| 859 | A | 79.4 | Confident | 89.5 | Confident | 68 Ų | 68 | 42.8 Ų | 42.8 | 56% | 0.562 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | 143.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y775 R862 | Y775-A859 HydrophobicContact CD2-CB 4.29Å; Y775-A859 HydrophobicContact CE2-CB 4.04Å; A859-R862 WeakPolarHBondContact CA-O 3.49Å; A859-R862 PolarHBondContact N-O 3.48Å; A859-R862 VanDerWaalsContact N-O 3.09Å |
| 860 | P | 84 | Confident | 89.3 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -98.6 | -3.5 | 20.7 | 36.9 | -36.8 | 0 | 0 | 0 | 115.9 | Y775 | Y775-P860 WeakPolarHBondContact CB-O 3.2Š|
| 861 | Y | 87.7 | Confident | 89.3 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -28.8 | -173 | -52.4 | -66.4 | 0 | 0 | 0 | 113.9 | R715 I719 Y775 E781 P783 | R715-Y861 HydrophobicContact CB-CD1 4.08Å; R715-Y861 HydrophobicContact CG-CD1 4.46Å; I719-Y861 HydrophobicContact CD1-CD2 4.07Å; I719-Y861 HydrophobicContact CD1-CE2 4.32Å; I719-Y861 HydrophobicContact CG1-CD2 3.66Å; I719-Y861 HydrophobicContact CG1-CE2 4.33Å; I719-Y861 HydrophobicContact CG1-CG 3.99Å; Y775-Y861 PolarHBondContact N-O 3.14Å; E781-Y861 WeakPolarHBondContact O-CE1 3.4Å; E781-Y861 PolarHBondContact O-OH 3.34Å; P783-Y861 HydrophobicContact CB-CE2 4.27Å |
| 862 | R | 89.6 | Confident | 89.3 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -122.8 | 157.6 | -178.3 | -59.2 | -172.5 | -65.9 | -172.2 | -6.7 | 109.7 | C716 I719 T720 T772 E857 G858 A859 | C716-R862 HydrophobicContact CB-CG 4.38Å; I719-R862 HydrophobicContact CG2-CG 4.45Å; T720-R862 VanDerWaalsContact OG1-CD 3.28Å; T720-R862 WeakPolarHBondContact OG1-CD 2.83Å; T720-R862 PolarHBondContact OG1-NH1 3.45Å; T772-R862 HydrophobicContact CG2-CB 4.13Å; E857-R862 VanDerWaalsContact O-CZ 3.27Å; E857-R862 PolarHBondContact O-NE 3.22Å; E857-R862 PolarHBondContact O-NH2 3.15Å; G858-R862 CarbonylContact C-O 3.58Å; G858-R862 PolarHBondContact O-N 2.99Å; G858-R862 VanDerWaalsContact O-O 3.14Å; A859-R862 WeakPolarHBondContact CA-O 3.49Å; A859-R862 PolarHBondContact N-O 3.48Å; A859-R862 VanDerWaalsContact N-O 3.09Å |
| 863 | K | 89.9 | Confident | 89.4 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | trans | -68.6 | 164.6 | 167.8 | -67 | -171.6 | -178.1 | 178.7 | 0 | 110.5 | H773 A774 G858 T867 | H773-K863 HydrophobicContact CB-CD 4.18Å; H773-K863 PolarHBondContact O-N 3.21Å; A774-K863 WeakPolarHBondContact O-CE 3.28Å; G858-K863 WeakPolarHBondContact CA-O 3.24Å; K863-T867 HydrophobicContact CB-CG2 4.39Å; K863-T867 HydrophobicContact CD-CG2 3.91Å | ||
| 864 | S | 89.3 | Confident | 89.5 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | trans | -58.5 | 150.3 | 175.1 | 177 | 0 | 0 | 0 | 0 | 111.4 | L866 T867 | S864-L866 PolarHBondContact O-N 2.66Å; S864-L866 VanDerWaalsContact O-N 3.12Å; S864-L866 PolarHBondContact OG-N 3.33Å; S864-T867 WeakPolarHBondContact O-CB 3.23Å; S864-T867 PolarHBondContact O-N 3.33Å; S864-T867 PolarHBondContact O-OG1 2.67Å | ||
| 865 | I | 89.5 | Confident | 89.7 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 20% | 0.195 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -48.3 | -38.1 | 173.1 | -165.7 | -173.4 | 0 | 0 | 0 | 111.9 | I853 S856 T867 N868 F871 V872 I875 | I853-I865 HydrophobicContact CG2-CD1 4.5Å; S856-I865 WeakPolarHBondContact OG-CD1 3.44Å; I865-T867 PolarHBondContact O-N 2.67Å; I865-N868 PolarHBondContact O-N 3.12Å; I865-F871 HydrophobicContact CD1-CD1 3.92Å; I865-F871 HydrophobicContact CD1-CE1 3.58Å; I865-F871 HydrophobicContact CG1-CD1 3.51Å; I865-F871 HydrophobicContact CG1-CE1 3.59Å; I865-V872 WeakPolarHBondContact O-CG2 3.43Å; I865-I875 HydrophobicContact CD1-CD1 3.83Å |
| 866 | L | 88.7 | Confident | 89.9 | Confident | 121 Ų | 121 | 55.9 Ų | 55.9 | 63% | 0.634 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -66.2 | -19.9 | -177.7 | -61.9 | 177.1 | 0 | 0 | 0 | 113.7 | S864 N868 V872 | S864-L866 PolarHBondContact O-N 2.66Å; S864-L866 VanDerWaalsContact O-N 3.12Å; S864-L866 PolarHBondContact OG-N 3.33Å; L866-N868 VanDerWaalsContact C-N 3.28Å; L866-V872 HydrophobicContact CD2-CG2 4.42Å |
| 867 | T | 91.5 | Very high | 90.3 | Very high | 66 Ų | 66 | 59 Ų | 59 | 41% | 0.405 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -76.7 | -20.4 | 175.5 | -46.8 | 0 | 0 | 0 | 0 | 111.7 | K863 S864 I865 Y869 | K863-T867 HydrophobicContact CB-CG2 4.39Å; K863-T867 HydrophobicContact CD-CG2 3.91Å; S864-T867 WeakPolarHBondContact O-CB 3.23Å; S864-T867 PolarHBondContact O-N 3.33Å; S864-T867 PolarHBondContact O-OG1 2.67Å; I865-T867 PolarHBondContact O-N 2.67Å; T867-Y869 PolarHBondContact O-N 2.72Å |
| 868 | N | 92.7 | Very high | 91 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | trans | -92 | 82.1 | 177.5 | -173.1 | -10.7 | 0 | 0 | 0 | 110 | T768 T772 I865 L866 A870 F871 V872 | T768-N868 PolarHBondContact O-ND2 3.14Å; T772-N868 PolarHBondContact N-ND2 3.23Å; T772-N868 PolarHBondContact OG1-ND2 2.89Å; T772-N868 VanDerWaalsContact OG1-ND2 3.11Å; I865-N868 PolarHBondContact O-N 3.12Å; L866-N868 VanDerWaalsContact C-N 3.28Å; N868-A870 PolarHBondContact O-N 3.46Å; N868-F871 HydrophobicContact CB-CB 4.02Å; N868-F871 VanDerWaalsContact CG-CB 3.41Å; N868-F871 WeakPolarHBondContact ND2-CB 3.45Å; N868-F871 PolarHBondContact O-N 3.05Å; N868-F871 VanDerWaalsContact O-N 3.09Å; N868-F871 PolarHBondContact OD1-N 3.01Å; N868-F871 VanDerWaalsContact OD1-N 3.16Å; N868-V872 WeakPolarHBondContact O-CG2 3.47Å; N868-V872 PolarHBondContact O-N 2.99Å | ||
| 869 | Y | 93.5 | Very high | 91.8 | Very high | 187 Ų | 187 | 59.8 Ų | 59.8 | 73% | 0.733 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.5 | -36.2 | -178.1 | -59.1 | -67.7 | 0 | 0 | 0 | 113.2 | T867 L873 | T867-Y869 PolarHBondContact O-N 2.72Å; Y869-L873 VanDerWaalsContact O-CB 3.25Å; Y869-L873 WeakPolarHBondContact O-CB 3.48Å; Y869-L873 PolarHBondContact O-N 3.42Å |
| 870 | A | 93.5 | Very high | 92.5 | Very high | 46 Ų | 46 | 60.3 Ų | 60.3 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | N868 N874 | N868-A870 PolarHBondContact O-N 3.46Å; A870-N874 WeakPolarHBondContact O-CB 3.46Å; A870-N874 PolarHBondContact O-N 3.26Å |
| 871 | F | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.5 | -42.8 | 177.5 | -175.4 | -128.9 | 0 | 0 | 0 | 112.5 | L765 T768 F769 A852 I865 N868 N874 I875 | L765-F871 HydrophobicContact CD2-CD2 4.46Å; L765-F871 HydrophobicContact CD2-CE2 4.04Å; T768-F871 WeakPolarHBondContact OG1-CD2 3.31Å; F769-F871 HydrophobicContact CB-CD2 4.29Å; F769-F871 HydrophobicContact CB-CE2 3.88Å; F769-F871 HydrophobicContact CB-CZ 4.21Å; F769-F871 HydrophobicContact CD2-CE1 4.25Å; F769-F871 HydrophobicContact CD2-CE2 4.24Å; F769-F871 AromaticContact CD2-CZ 3.73Å; F769-F871 HydrophobicContact CD2-CZ 3.73Å; F769-F871 HydrophobicContact CG-CZ 4.44Å; A852-F871 HydrophobicContact CB-CE2 4.48Å; A852-F871 HydrophobicContact CB-CZ 4.17Å; I865-F871 HydrophobicContact CD1-CD1 3.92Å; I865-F871 HydrophobicContact CD1-CE1 3.58Å; I865-F871 HydrophobicContact CG1-CD1 3.51Å; I865-F871 HydrophobicContact CG1-CE1 3.59Å; N868-F871 HydrophobicContact CB-CB 4.02Å; N868-F871 VanDerWaalsContact CG-CB 3.41Å; N868-F871 WeakPolarHBondContact ND2-CB 3.45Å; N868-F871 PolarHBondContact O-N 3.05Å; N868-F871 VanDerWaalsContact O-N 3.09Å; N868-F871 PolarHBondContact OD1-N 3.01Å; N868-F871 VanDerWaalsContact OD1-N 3.16Å; F871-N874 PolarHBondContact O-N 3.42Å; F871-I875 HydrophobicContact CD1-CD1 3.79Å; F871-I875 HydrophobicContact CD2-CD1 4.18Å; F871-I875 HydrophobicContact CD2-CG1 4.38Å; F871-I875 HydrophobicContact CE1-CD1 3.51Å; F871-I875 HydrophobicContact CE2-CD1 3.93Å; F871-I875 HydrophobicContact CE2-CG1 4.14Å; F871-I875 HydrophobicContact CG-CD1 4.12Å; F871-I875 HydrophobicContact CZ-CD1 3.58Å; F871-I875 HydrophobicContact CZ-CG1 4.24Å; F871-I875 WeakPolarHBondContact O-CG1 3.44Å; F871-I875 PolarHBondContact O-N 3.19Å |
| 872 | V | 95 | Very high | 93.3 | Very high | 52 Ų | 52 | 59.5 Ų | 59.5 | 32% | 0.315 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | I865 L866 N868 N874 I875 L876 | I865-V872 WeakPolarHBondContact O-CG2 3.43Å; L866-V872 HydrophobicContact CD2-CG2 4.42Å; N868-V872 WeakPolarHBondContact O-CG2 3.47Å; N868-V872 PolarHBondContact O-N 2.99Å; V872-N874 VanDerWaalsContact C-N 3.31Å; V872-N874 PolarHBondContact O-N 3.2Å; V872-I875 PolarHBondContact O-N 3.47Å; V872-L876 WeakPolarHBondContact O-CB 3.3Å; V872-L876 PolarHBondContact O-N 2.67Å |
| 873 | L | 95.6 | Very high | 93.5 | Very high | 108 Ų | 108 | 62.4 Ų | 62.4 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 175.3 | 179.6 | 63.7 | 0 | 0 | 0 | 110.9 | Y869 L876 V877 | Y869-L873 VanDerWaalsContact O-CB 3.25Å; Y869-L873 WeakPolarHBondContact O-CB 3.48Å; Y869-L873 PolarHBondContact O-N 3.42Å; L873-L876 PolarHBondContact O-N 3Å; L873-V877 HydrophobicContact CD1-CG2 4.4Å; L873-V877 VanDerWaalsContact O-CG2 3.31Å; L873-V877 WeakPolarHBondContact O-CG2 3.2Å; L873-V877 PolarHBondContact O-N 2.95Å |
| 874 | N | 95.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 179.2 | -166.8 | 27 | 0 | 0 | 0 | 112.4 | T764 L765 T768 A870 F871 V872 L876 V877 C878 | T764-N874 WeakPolarHBondContact CB-ND2 3.45Å; T764-N874 PolarHBondContact O-ND2 3.45Å; T764-N874 VanDerWaalsContact O-ND2 3.12Å; T764-N874 PolarHBondContact OG1-ND2 3.32Å; T764-N874 VanDerWaalsContact OG1-ND2 3.12Å; L765-N874 HydrophobicContact CD2-CB 4.45Å; L765-N874 PolarHBondContact N-ND2 3.38Å; T768-N874 HydrophobicContact CG2-CB 4.21Å; T768-N874 PolarHBondContact OG1-ND2 3.31Å; A870-N874 WeakPolarHBondContact O-CB 3.46Å; A870-N874 PolarHBondContact O-N 3.26Å; F871-N874 PolarHBondContact O-N 3.42Å; V872-N874 VanDerWaalsContact C-N 3.31Å; V872-N874 PolarHBondContact O-N 3.2Å; N874-L876 VanDerWaalsContact C-N 3.3Å; N874-L876 PolarHBondContact O-N 3.29Å; N874-V877 PolarHBondContact O-N 2.93Å; N874-C878 PolarHBondContact O-N 3.13Å; N874-C878 PolarHBondContact O-SG 3.25Å; N874-C878 VanDerWaalsContact O-SG 3.36Å |
| 875 | I | 95.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.1 | -46.4 | 172.9 | -72.9 | 164 | 0 | 0 | 0 | 110.7 | L765 I849 I853 I865 F871 V872 C878 F879 | L765-I875 HydrophobicContact CD2-CG1 3.76Å; I849-I875 HydrophobicContact CG2-CG2 4.07Å; I853-I875 HydrophobicContact CD1-CG2 3.99Å; I853-I875 HydrophobicContact CG1-CD1 3.89Å; I853-I875 HydrophobicContact CG1-CG2 4.39Å; I865-I875 HydrophobicContact CD1-CD1 3.83Å; F871-I875 HydrophobicContact CD1-CD1 3.79Å; F871-I875 HydrophobicContact CD2-CD1 4.18Å; F871-I875 HydrophobicContact CD2-CG1 4.38Å; F871-I875 HydrophobicContact CE1-CD1 3.51Å; F871-I875 HydrophobicContact CE2-CD1 3.93Å; F871-I875 HydrophobicContact CE2-CG1 4.14Å; F871-I875 HydrophobicContact CG-CD1 4.12Å; F871-I875 HydrophobicContact CZ-CD1 3.58Å; F871-I875 HydrophobicContact CZ-CG1 4.24Å; F871-I875 WeakPolarHBondContact O-CG1 3.44Å; F871-I875 PolarHBondContact O-N 3.19Å; V872-I875 PolarHBondContact O-N 3.47Å; I875-C878 PolarHBondContact O-N 3.44Å; I875-F879 VanDerWaalsContact O-CB 3.23Å; I875-F879 WeakPolarHBondContact O-CB 3.39Å; I875-F879 PolarHBondContact O-N 3.36Å |
| 876 | L | 95.9 | Very high | 93.9 | Very high | 100 Ų | 100 | 59.4 Ų | 59.4 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 179.6 | -177.7 | 67.8 | 0 | 0 | 0 | 111.2 | V872 L873 N874 F879 V880 | V872-L876 WeakPolarHBondContact O-CB 3.3Å; V872-L876 PolarHBondContact O-N 2.67Å; L873-L876 PolarHBondContact O-N 3Å; N874-L876 VanDerWaalsContact C-N 3.3Å; N874-L876 PolarHBondContact O-N 3.29Å; L876-F879 PolarHBondContact O-N 3.22Å; L876-V880 HydrophobicContact CD1-CG2 4.18Å; L876-V880 HydrophobicContact CG-CG2 4.4Å; L876-V880 WeakPolarHBondContact O-CB 3.48Å; L876-V880 VanDerWaalsContact O-CG2 3.23Å; L876-V880 WeakPolarHBondContact O-CG2 3.22Å; L876-V880 PolarHBondContact O-N 3.02Å |
| 877 | V | 95.8 | Very high | 94 | Very high | 85 Ų | 85 | 57 Ų | 57 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 178 | 170.7 | 0 | 0 | 0 | 0 | 111 | L873 N874 F879 V880 F881 | L873-V877 HydrophobicContact CD1-CG2 4.4Å; L873-V877 VanDerWaalsContact O-CG2 3.31Å; L873-V877 WeakPolarHBondContact O-CG2 3.2Å; L873-V877 PolarHBondContact O-N 2.95Å; N874-V877 PolarHBondContact O-N 2.93Å; V877-F879 PolarHBondContact O-N 3.36Å; V877-V880 PolarHBondContact O-N 2.87Å; V877-F881 WeakPolarHBondContact O-CB 3.27Å; V877-F881 PolarHBondContact O-N 3.02Å |
| 878 | C | 95.6 | Very high | 93.8 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.054 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.8 | -68 | 0 | 0 | 0 | 0 | 111.5 | I849 N874 I875 F881 S882 | I849-C878 HydrophobicContact CD1-CB 3.77Å; I849-C878 HydrophobicContact CG1-CB 4.07Å; N874-C878 PolarHBondContact O-N 3.13Å; N874-C878 PolarHBondContact O-SG 3.25Å; N874-C878 VanDerWaalsContact O-SG 3.36Å; I875-C878 PolarHBondContact O-N 3.44Å; C878-F881 PolarHBondContact O-N 3.1Å; C878-S882 PolarHBondContact O-N 2.63Å; C878-S882 PolarHBondContact O-OG 3.39Å; C878-S882 VanDerWaalsContact O-OG 3.08Å |
| 879 | F | 95 | Very high | 93.7 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | -179.2 | -177.6 | -96.8 | 0 | 0 | 0 | 112.2 | Y846 I849 I875 L876 V877 F881 S882 L883 | Y846-F879 HydrophobicContact CD1-CD2 4.11Å; Y846-F879 HydrophobicContact CD1-CE2 4.05Å; Y846-F879 HydrophobicContact CE1-CD2 4.05Å; Y846-F879 AromaticContact CE1-CE2 3.87Å; Y846-F879 HydrophobicContact CE1-CE2 3.87Å; I849-F879 HydrophobicContact CD1-CB 4.45Å; I875-F879 VanDerWaalsContact O-CB 3.23Å; I875-F879 WeakPolarHBondContact O-CB 3.39Å; I875-F879 PolarHBondContact O-N 3.36Å; L876-F879 PolarHBondContact O-N 3.22Å; V877-F879 PolarHBondContact O-N 3.36Å; F879-F881 VanDerWaalsContact C-N 3.32Å; F879-F881 PolarHBondContact O-N 3.33Å; F879-S882 PolarHBondContact O-N 3.24Å; F879-L883 WeakPolarHBondContact O-CB 3.46Å; F879-L883 PolarHBondContact O-N 3.1Å |
| 880 | V | 95.1 | Very high | 93.7 | Very high | 80 Ų | 80 | 54.3 Ų | 54.3 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L876 V877 L883 Y884 | L876-V880 HydrophobicContact CD1-CG2 4.18Å; L876-V880 HydrophobicContact CG-CG2 4.4Å; L876-V880 WeakPolarHBondContact O-CB 3.48Å; L876-V880 VanDerWaalsContact O-CG2 3.23Å; L876-V880 WeakPolarHBondContact O-CG2 3.22Å; L876-V880 PolarHBondContact O-N 3.02Å; V877-V880 PolarHBondContact O-N 2.87Å; V880-L883 WeakPolarHBondContact O-CB 3.45Å; V880-L883 PolarHBondContact O-N 3.39Å; V880-Y884 WeakPolarHBondContact O-CB 3.42Å; V880-Y884 PolarHBondContact O-N 3.39Å |
| 881 | F | 93.9 | Very high | 93.6 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 175.8 | -170.9 | -102.3 | 0 | 0 | 0 | 111.9 | H756 V877 C878 F879 L883 Y884 L885 | H756-F881 AromaticContact CE1-CD1 3.38Å; H756-F881 WeakPolarHBondContact CE1-CD1 2.77Å; H756-F881 AromaticContact CE1-CE1 3.2Å; H756-F881 WeakPolarHBondContact CE1-CE1 3.47Å; H756-F881 AromaticContact ND1-CE1 3.8Å; H756-F881 AromaticContact NE2-CD1 3.86Å; H756-F881 AromaticContact NE2-CE1 3.8Å; V877-F881 WeakPolarHBondContact O-CB 3.27Å; V877-F881 PolarHBondContact O-N 3.02Å; C878-F881 PolarHBondContact O-N 3.1Å; F879-F881 VanDerWaalsContact C-N 3.32Å; F879-F881 PolarHBondContact O-N 3.33Å; F881-L883 VanDerWaalsContact C-N 3.33Å; F881-L883 PolarHBondContact O-N 2.96Å; F881-Y884 HydrophobicContact CD2-CD1 4.4Å; F881-Y884 HydrophobicContact CE2-CD1 4.38Å; F881-Y884 WeakPolarHBondContact O-CB 3.21Å; F881-Y884 PolarHBondContact O-N 3.31Å; F881-L885 HydrophobicContact CD1-CD1 3.84Å; F881-L885 HydrophobicContact CD1-CG 4.08Å; F881-L885 HydrophobicContact CE1-CD1 3.49Å; F881-L885 VanDerWaalsContact CE1-CD1 3.49Å; F881-L885 HydrophobicContact CE1-CD2 4.14Å; F881-L885 HydrophobicContact CE1-CG 3.79Å; F881-L885 HydrophobicContact CZ-CD1 4.27Å; F881-L885 HydrophobicContact CZ-CD2 4.1Å; F881-L885 HydrophobicContact CZ-CG 4.19Å; F881-L885 WeakPolarHBondContact O-CG 3.17Å; F881-L885 PolarHBondContact O-N 3.29Å |
| 882 | S | 93.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.014 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 173.8 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | Y846 C878 F879 L885 T886 | Y846-S882 VanDerWaalsContact OH-C 3.24Å; Y846-S882 PolarHBondContact OH-O 2.84Å; Y846-S882 VanDerWaalsContact OH-O 3.1Å; C878-S882 PolarHBondContact O-N 2.63Å; C878-S882 PolarHBondContact O-OG 3.39Å; C878-S882 VanDerWaalsContact O-OG 3.08Å; F879-S882 PolarHBondContact O-N 3.24Å; S882-L885 PolarHBondContact O-N 2.78Å; S882-T886 WeakPolarHBondContact O-CB 3.34Å; S882-T886 PolarHBondContact O-N 3.38Å; S882-T886 PolarHBondContact O-OG1 3.41Å |
| 883 | L | 93.6 | Very high | 93.4 | Very high | 66 Ų | 66 | 62.4 Ų | 62.4 | 35% | 0.346 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 173.2 | -176.4 | 62.8 | 0 | 0 | 0 | 111.2 | Y846 F879 V880 F881 T886 T887 H912 | Y846-L883 WeakPolarHBondContact OH-CA 3.39Å; Y846-L883 PolarHBondContact OH-N 3.04Å; F879-L883 WeakPolarHBondContact O-CB 3.46Å; F879-L883 PolarHBondContact O-N 3.1Å; V880-L883 WeakPolarHBondContact O-CB 3.45Å; V880-L883 PolarHBondContact O-N 3.39Å; F881-L883 VanDerWaalsContact C-N 3.33Å; F881-L883 PolarHBondContact O-N 2.96Å; L883-T886 PolarHBondContact O-N 3.1Å; L883-T887 WeakPolarHBondContact O-CB 3.33Å; L883-T887 PolarHBondContact O-N 3.05Å; L883-T887 PolarHBondContact O-OG1 2.65Å; L883-H912 WeakPolarHBondContact CD1-CE1 3.4Å |
| 884 | Y | 93.6 | Very high | 93.2 | Very high | 94 Ų | 94 | 58 Ų | 58 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 175.9 | 170 | -111.6 | 0 | 0 | 0 | 112.5 | V880 F881 T886 T887 Y888 A890 I893 | V880-Y884 WeakPolarHBondContact O-CB 3.42Å; V880-Y884 PolarHBondContact O-N 3.39Å; F881-Y884 HydrophobicContact CD2-CD1 4.4Å; F881-Y884 HydrophobicContact CE2-CD1 4.38Å; F881-Y884 WeakPolarHBondContact O-CB 3.21Å; F881-Y884 PolarHBondContact O-N 3.31Å; Y884-T886 VanDerWaalsContact C-N 3.27Å; Y884-T886 PolarHBondContact O-N 3.46Å; Y884-T887 PolarHBondContact O-N 2.99Å; Y884-Y888 PolarHBondContact O-N 3.49Å; Y884-A890 WeakPolarHBondContact OH-CB 3.21Å; Y884-A890 PolarHBondContact OH-N 3.04Å; Y884-I893 HydrophobicContact CE1-CD1 3.46Å; Y884-I893 VanDerWaalsContact CE1-CD1 3.46Å |
| 885 | L | 92.3 | Very high | 93 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -33.5 | 175.3 | -73.3 | -176.4 | 0 | 0 | 0 | 113.1 | F841 F881 S882 P889 I893 L897 | F841-L885 HydrophobicContact CE1-CD1 4.45Å; F881-L885 HydrophobicContact CD1-CD1 3.84Å; F881-L885 HydrophobicContact CD1-CG 4.08Å; F881-L885 HydrophobicContact CE1-CD1 3.49Å; F881-L885 VanDerWaalsContact CE1-CD1 3.49Å; F881-L885 HydrophobicContact CE1-CD2 4.14Å; F881-L885 HydrophobicContact CE1-CG 3.79Å; F881-L885 HydrophobicContact CZ-CD1 4.27Å; F881-L885 HydrophobicContact CZ-CD2 4.1Å; F881-L885 HydrophobicContact CZ-CG 4.19Å; F881-L885 WeakPolarHBondContact O-CG 3.17Å; F881-L885 PolarHBondContact O-N 3.29Å; S882-L885 PolarHBondContact O-N 2.78Å; L885-P889 HydrophobicContact CD2-CB 4.3Å; L885-P889 WeakPolarHBondContact O-CD 3.25Å; L885-P889 WeakPolarHBondContact O-CG 3.21Å; L885-I893 HydrophobicContact CD2-CG2 3.49Å; L885-I893 VanDerWaalsContact CD2-CG2 3.49Å; L885-L897 HydrophobicContact CD1-CD1 4.08Å; L885-L897 HydrophobicContact CD2-CD1 3.76Å |
| 886 | T | 91.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -79 | -36.6 | -178.8 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | I842 Y846 S882 L883 Y884 I908 H912 | I842-T886 HydrophobicContact CG2-CG2 3.82Å; I842-T886 VanDerWaalsContact CG2-OG1 3.28Å; I842-T886 WeakPolarHBondContact CG2-OG1 3.24Å; Y846-T886 VanDerWaalsContact CE2-OG1 3.28Å; Y846-T886 WeakPolarHBondContact CE2-OG1 3.49Å; Y846-T886 PolarHBondContact OH-OG1 3.17Å; S882-T886 WeakPolarHBondContact O-CB 3.34Å; S882-T886 PolarHBondContact O-N 3.38Å; S882-T886 PolarHBondContact O-OG1 3.41Å; L883-T886 PolarHBondContact O-N 3.1Å; Y884-T886 VanDerWaalsContact C-N 3.27Å; Y884-T886 PolarHBondContact O-N 3.46Å; T886-I908 HydrophobicContact CG2-CG2 4.25Å; T886-H912 WeakPolarHBondContact CG2-CE1 3.45Å |
| 887 | T | 89.8 | Confident | 92.6 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 44% | 0.436 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -83.3 | -62.8 | -169.5 | -43 | 0 | 0 | 0 | 0 | 111.9 | L883 Y884 | L883-T887 WeakPolarHBondContact O-CB 3.33Å; L883-T887 PolarHBondContact O-N 3.05Å; L883-T887 PolarHBondContact O-OG1 2.65Å; Y884-T887 PolarHBondContact O-N 2.99Å |
| 888 | Y | 88.4 | Confident | 92.3 | Very high | 161 Ų | 161 | 59.5 Ų | 59.5 | 63% | 0.631 | 29% | 0.286 | S | S | * | . | trans | -161.7 | 78.8 | -178.9 | -160.3 | -99.9 | 0 | 0 | 0 | 111.6 | Y884 | Y884-Y888 PolarHBondContact O-N 3.49Š| ||
| 889 | P | 90.7 | Very high | 92.1 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | trans | -69.2 | 146.7 | 177 | 25.9 | -33.1 | 0 | 0 | 0 | 112.6 | L885 I893 V894 R901 | L885-P889 HydrophobicContact CD2-CB 4.3Å; L885-P889 WeakPolarHBondContact O-CD 3.25Å; L885-P889 WeakPolarHBondContact O-CG 3.21Å; P889-I893 HydrophobicContact CB-CB 4.37Å; P889-I893 HydrophobicContact CB-CG2 4.26Å; P889-V894 HydrophobicContact CB-CG2 3.96Å; P889-V894 HydrophobicContact CG-CG2 3.53Å; P889-R901 PolarHBondContact O-NH2 3.4Å | ||
| 890 | A | 92.5 | Very high | 91.8 | Very high | 28 Ų | 28 | 56.3 Ų | 56.3 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | trans | -58.7 | 149.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y884 W892 I893 V894 | Y884-A890 WeakPolarHBondContact OH-CB 3.21Å; Y884-A890 PolarHBondContact OH-N 3.04Å; A890-W892 VanDerWaalsContact C-N 3.25Å; A890-W892 HydrophobicContact CB-CG 4.5Å; A890-W892 PolarHBondContact O-N 2.84Å; A890-I893 HydrophobicContact CB-CD1 4.31Å; A890-I893 HydrophobicContact CB-CG1 4.42Å; A890-I893 WeakPolarHBondContact O-CB 3.32Å; A890-I893 PolarHBondContact O-N 2.85Å; A890-V894 PolarHBondContact O-N 3.11Å; A890-V894 VanDerWaalsContact O-N 3.14Å | ||
| 891 | N | 91.2 | Very high | 91.5 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -51.1 | -45.2 | -176 | -64.2 | -0.9 | 0 | 0 | 0 | 112.2 | I893 V894 E895 R901 | N891-I893 VanDerWaalsContact C-N 3.26Å; N891-I893 PolarHBondContact O-N 3.07Å; N891-V894 WeakPolarHBondContact O-CB 3.5Å; N891-V894 PolarHBondContact O-N 2.72Å; N891-E895 WeakPolarHBondContact O-CG 3.27Å; N891-E895 PolarHBondContact O-N 2.77Å; N891-R901 PolarHBondContact OD1-NH1 2.74Å; N891-R901 VanDerWaalsContact OD1-NH1 3.1Å; N891-R901 PolarHBondContact OD1-NH2 3.47Å |
| 892 | W | 93 | Very high | 91.3 | Very high | 167 Ų | 167 | 54.8 Ų | 54.8 | 63% | 0.633 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.9 | -31.1 | -178.5 | 70.2 | -94.6 | 0 | 0 | 0 | 112.9 | A890 L896 | A890-W892 VanDerWaalsContact C-N 3.25Å; A890-W892 HydrophobicContact CB-CG 4.5Å; A890-W892 PolarHBondContact O-N 2.84Å; W892-L896 HydrophobicContact CZ3-CD2 4.19Å; W892-L896 WeakPolarHBondContact O-CB 3.49Å; W892-L896 PolarHBondContact O-N 2.69Å |
| 893 | I | 92.2 | Very high | 91 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.046 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.9 | -41.8 | 176.8 | -61.2 | 177.2 | 0 | 0 | 0 | 110.5 | Y884 L885 P889 A890 N891 E895 L896 L897 | Y884-I893 HydrophobicContact CE1-CD1 3.46Å; Y884-I893 VanDerWaalsContact CE1-CD1 3.46Å; L885-I893 HydrophobicContact CD2-CG2 3.49Å; L885-I893 VanDerWaalsContact CD2-CG2 3.49Å; P889-I893 HydrophobicContact CB-CB 4.37Å; P889-I893 HydrophobicContact CB-CG2 4.26Å; A890-I893 HydrophobicContact CB-CD1 4.31Å; A890-I893 HydrophobicContact CB-CG1 4.42Å; A890-I893 WeakPolarHBondContact O-CB 3.32Å; A890-I893 PolarHBondContact O-N 2.85Å; N891-I893 VanDerWaalsContact C-N 3.26Å; N891-I893 PolarHBondContact O-N 3.07Å; I893-E895 VanDerWaalsContact C-N 3.28Å; I893-E895 PolarHBondContact O-N 3.23Å; I893-L896 PolarHBondContact O-N 2.67Å; I893-L897 HydrophobicContact CG2-CD1 3.81Å; I893-L897 HydrophobicContact CG2-CG 4.43Å; I893-L897 WeakPolarHBondContact O-CB 3.29Å; I893-L897 PolarHBondContact O-N 3.45Å |
| 894 | V | 91.7 | Very high | 90.8 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | P889 A890 N891 Q898 L899 R901 | P889-V894 HydrophobicContact CB-CG2 3.96Å; P889-V894 HydrophobicContact CG-CG2 3.53Å; A890-V894 PolarHBondContact O-N 3.11Å; A890-V894 VanDerWaalsContact O-N 3.14Å; N891-V894 WeakPolarHBondContact O-CB 3.5Å; N891-V894 PolarHBondContact O-N 2.72Å; V894-Q898 CarbonylContact O-C 3.12Å; V894-Q898 VanDerWaalsContact O-CA 3.28Å; V894-Q898 WeakPolarHBondContact O-CA 3.44Å; V894-Q898 PolarHBondContact O-N 2.82Å; V894-L899 HydrophobicContact CG1-CB 4.27Å; V894-L899 WeakPolarHBondContact CG1-O 3.05Å; V894-L899 PolarHBondContact O-N 3.37Å; V894-R901 HydrophobicContact CG1-CG 4.35Å |
| 895 | E | 91.1 | Very high | 90.6 | Very high | 127 Ų | 127 | 56.8 Ų | 56.8 | 59% | 0.593 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67 | -45.7 | 176.9 | -72.9 | 172.1 | -169 | 0 | 0 | 112 | N891 I893 Q898 | N891-E895 WeakPolarHBondContact O-CG 3.27Å; N891-E895 PolarHBondContact O-N 2.77Å; I893-E895 VanDerWaalsContact C-N 3.28Å; I893-E895 PolarHBondContact O-N 3.23Å; E895-Q898 PolarHBondContact O-N 3.25Å |
| 896 | L | 91.9 | Very high | 90.6 | Very high | 66 Ų | 66 | 65.9 Ų | 65.9 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -51.5 | 179.2 | -177.8 | 68.5 | 0 | 0 | 0 | 112.1 | W752 W892 I893 Q898 | W752-L896 WeakPolarHBondContact CB-O 3.32Å; W752-L896 HydrophobicContact CD2-CD1 3.75Å; W752-L896 HydrophobicContact CD2-CG 4.19Å; W752-L896 HydrophobicContact CE3-CD1 4.21Å; W752-L896 HydrophobicContact CG-CD1 4.11Å; W752-L896 HydrophobicContact CG-CG 4.26Å; W752-L896 HydrophobicContact CH2-CD1 4.37Å; W752-L896 HydrophobicContact CZ2-CD1 3.93Å; W752-L896 HydrophobicContact CZ3-CD1 4.5Å; W892-L896 HydrophobicContact CZ3-CD2 4.19Å; W892-L896 WeakPolarHBondContact O-CB 3.49Å; W892-L896 PolarHBondContact O-N 2.69Å; I893-L896 PolarHBondContact O-N 2.67Å; L896-Q898 PolarHBondContact O-N 3.37Å |
| 897 | L | 91.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1 | 178.6 | -68.6 | 173.5 | 0 | 0 | 0 | 112.8 | S750 W752 Q753 H756 F841 L885 I893 L899 | S750-L897 PolarHBondContact OG-O 3.24Å; W752-L897 HydrophobicContact CB-CD2 4.01Å; W752-L897 WeakPolarHBondContact O-CD2 3.47Å; Q753-L897 HydrophobicContact CG-CD2 4.48Å; Q753-L897 WeakPolarHBondContact CG-O 3.14Å; Q753-L897 PolarHBondContact NE2-O 3.42Å; H756-L897 HydrophobicContact CB-CD2 4.26Å; F841-L897 HydrophobicContact CE1-CD1 4.48Å; L885-L897 HydrophobicContact CD1-CD1 4.08Å; L885-L897 HydrophobicContact CD2-CD1 3.76Å; I893-L897 HydrophobicContact CG2-CD1 3.81Å; I893-L897 HydrophobicContact CG2-CG 4.43Å; I893-L897 WeakPolarHBondContact O-CB 3.29Å; I893-L897 PolarHBondContact O-N 3.45Å; L897-L899 HydrophobicContact CB-CD1 3.82Å; L897-L899 HydrophobicContact CB-CD2 4.31Å; L897-L899 HydrophobicContact CB-CG 3.65Å; L897-L899 HydrophobicContact CD1-CD1 3.89Å; L897-L899 PolarHBondContact O-N 3.25Å |
| 898 | Q | 90.8 | Very high | 90.8 | Very high | 62 Ų | 62 | 63.2 Ų | 63.2 | 29% | 0.29 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 34 | -176.2 | -59.7 | -178.7 | -30.9 | 0 | 0 | 113.9 | V894 E895 L896 | V894-Q898 CarbonylContact O-C 3.12Å; V894-Q898 VanDerWaalsContact O-CA 3.28Å; V894-Q898 WeakPolarHBondContact O-CA 3.44Å; V894-Q898 PolarHBondContact O-N 2.82Å; E895-Q898 PolarHBondContact O-N 3.25Å; L896-Q898 PolarHBondContact O-N 3.37Å |
| 899 | L | 90.7 | Very high | 91 | Very high | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -76 | 154.5 | -179.5 | -59 | 170.6 | 0 | 0 | 0 | 111.3 | T838 F841 V894 L897 | T838-L899 HydrophobicContact CG2-CB 4.25Å; T838-L899 HydrophobicContact CG2-CD2 4.06Å; F841-L899 HydrophobicContact CD1-CD2 3.61Å; F841-L899 HydrophobicContact CE1-CD2 3.95Å; F841-L899 HydrophobicContact CG-CD2 4.48Å; V894-L899 HydrophobicContact CG1-CB 4.27Å; V894-L899 WeakPolarHBondContact CG1-O 3.05Å; V894-L899 PolarHBondContact O-N 3.37Å; L897-L899 HydrophobicContact CB-CD1 3.82Å; L897-L899 HydrophobicContact CB-CD2 4.31Å; L897-L899 HydrophobicContact CB-CG 3.65Å; L897-L899 HydrophobicContact CD1-CD1 3.89Å; L897-L899 PolarHBondContact O-N 3.25Å |
| 900 | V | 90 | Very high | 91.1 | Very high | 20 Ų | 20 | 62.1 Ų | 62.1 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 131.7 | 170.8 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | L823 R833 Y835 T838 I902 | L823-V900 HydrophobicContact CD1-CG1 4.45Å; L823-V900 HydrophobicContact CD1-CG2 4.3Å; R833-V900 HydrophobicContact CB-CG2 4.46Å; R833-V900 HydrophobicContact CG-CG2 3.5Å; Y835-V900 HydrophobicContact CD1-CB 4.15Å; Y835-V900 HydrophobicContact CD1-CG1 3.57Å; Y835-V900 HydrophobicContact CE1-CB 4.28Å; Y835-V900 HydrophobicContact CE1-CG1 3.24Å; Y835-V900 HydrophobicContact CE2-CG1 4.31Å; Y835-V900 HydrophobicContact CG-CG1 4.24Å; T838-V900 WeakPolarHBondContact CG2-O 3.1Å; T838-V900 PolarHBondContact OG1-N 3.16Å; V900-I902 PolarHBondContact O-N 2.84Å |
| 901 | R | 88.6 | Confident | 91.1 | Very high | 101 Ų | 101 | 60.9 Ų | 60.9 | 38% | 0.381 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 121.6 | 175.5 | -72.7 | -176.3 | 165.1 | 167.9 | -6 | 110.4 | P889 N891 V894 P903 | P889-R901 PolarHBondContact O-NH2 3.4Å; N891-R901 PolarHBondContact OD1-NH1 2.74Å; N891-R901 VanDerWaalsContact OD1-NH1 3.1Å; N891-R901 PolarHBondContact OD1-NH2 3.47Å; V894-R901 HydrophobicContact CG1-CG 4.35Å; R901-P903 WeakPolarHBondContact O-CD 3.48Å |
| 902 | I | 89 | Confident | 91.2 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 116 | 173 | -65.5 | 168.4 | 0 | 0 | 0 | 107.5 | W819 V900 S904 F907 I908 L911 | W819-I902 HydrophobicContact CH2-CG2 3.76Å; W819-I902 HydrophobicContact CZ2-CG2 3.97Å; V900-I902 PolarHBondContact O-N 2.84Å; I902-S904 VanDerWaalsContact C-N 3.28Å; I902-S904 PolarHBondContact O-N 2.93Å; I902-F907 HydrophobicContact CD1-CD1 4.07Å; I902-F907 HydrophobicContact CD1-CE1 4.25Å; I902-F907 HydrophobicContact CG2-CB 4.05Å; I902-F907 HydrophobicContact CG2-CD1 3.79Å; I902-F907 HydrophobicContact CG2-CG 4.33Å; I902-I908 HydrophobicContact CB-CG1 4.33Å; I902-I908 HydrophobicContact CG2-CG1 4.08Å; I902-L911 HydrophobicContact CD1-CD1 3.69Å |
| 903 | P | 86.5 | Confident | 91.3 | Very high | 83 Ų | 83 | 54 Ų | 54 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | trans | -74.4 | -18 | -174.3 | 29.6 | -35.6 | 0 | 0 | 0 | 113.3 | W819 R901 | W819-P903 HydrophobicContact CB-CG 4.07Å; W819-P903 HydrophobicContact CD2-CG 3.53Å; W819-P903 HydrophobicContact CE3-CG 3.51Å; W819-P903 HydrophobicContact CG-CG 3.78Å; W819-P903 HydrophobicContact CZ3-CG 4.21Å; R901-P903 WeakPolarHBondContact O-CD 3.48Å | ||
| 904 | S | 89.7 | Confident | 91.3 | Very high | 21 Ų | 21 | 54.5 Ų | 54.5 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | trans | -100.7 | 116.4 | -176.8 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | I902 W906 F907 I908 | I902-S904 VanDerWaalsContact C-N 3.28Å; I902-S904 PolarHBondContact O-N 2.93Å; S904-W906 PolarHBondContact O-N 2.85Å; S904-W906 PolarHBondContact OG-N 3.3Å; S904-F907 PolarHBondContact O-N 3.21Å; S904-F907 VanDerWaalsContact O-N 3.15Å; S904-F907 PolarHBondContact OG-N 3.2Å; S904-I908 PolarHBondContact O-N 3.36Å | ||
| 905 | V | 90.9 | Very high | 91.4 | Very high | 101 Ų | 101 | 54.4 Ų | 54.4 | 61% | 0.612 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.1 | -35.7 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | F907 I908 L909 | V905-F907 VanDerWaalsContact C-N 3.28Å; V905-F907 PolarHBondContact O-N 3.01Å; V905-I908 WeakPolarHBondContact O-CB 3.48Å; V905-I908 PolarHBondContact O-N 3.49Å; V905-L909 WeakPolarHBondContact O-CG 3.46Å; V905-L909 PolarHBondContact O-N 3.43Å |
| 906 | W | 91.8 | Very high | 91.6 | Very high | 197 Ų | 197 | 53.6 Ų | 53.6 | 75% | 0.746 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.5 | -38.9 | 176.5 | -64.8 | 112.7 | 0 | 0 | 0 | 112.1 | S904 L909 I910 | S904-W906 PolarHBondContact O-N 2.85Å; S904-W906 PolarHBondContact OG-N 3.3Å; W906-L909 HydrophobicContact CE3-CD1 4.06Å; W906-L909 HydrophobicContact CZ3-CD1 4.26Å; W906-L909 PolarHBondContact O-N 3.15Å; W906-I910 WeakPolarHBondContact O-CG1 3.45Å; W906-I910 PolarHBondContact O-N 3.09Å |
| 907 | F | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.8 | -35.4 | 177.3 | -168.2 | -95.4 | 0 | 0 | 0 | 112.1 | L813 I814 Q817 W819 I902 S904 V905 L909 I910 L911 | L813-F907 HydrophobicContact CB-CE2 4.26Å; I814-F907 HydrophobicContact CB-CE1 4.3Å; I814-F907 HydrophobicContact CB-CE2 4.18Å; I814-F907 HydrophobicContact CB-CZ 3.63Å; I814-F907 HydrophobicContact CD1-CD1 4.45Å; I814-F907 HydrophobicContact CD1-CE1 3.69Å; I814-F907 HydrophobicContact CD1-CZ 3.93Å; I814-F907 HydrophobicContact CG1-CE1 4.23Å; I814-F907 HydrophobicContact CG1-CZ 3.99Å; Q817-F907 HydrophobicContact CG-CD2 3.71Å; Q817-F907 HydrophobicContact CG-CE2 3.96Å; Q817-F907 HydrophobicContact CG-CG 4.49Å; W819-F907 HydrophobicContact CH2-CD1 4.17Å; W819-F907 HydrophobicContact CH2-CG 4.23Å; W819-F907 HydrophobicContact CZ2-CB 3.74Å; W819-F907 HydrophobicContact CZ2-CD1 4.17Å; W819-F907 HydrophobicContact CZ2-CD2 4.23Å; W819-F907 AromaticContact CZ2-CG 3.77Å; W819-F907 HydrophobicContact CZ2-CG 3.77Å; I902-F907 HydrophobicContact CD1-CD1 4.07Å; I902-F907 HydrophobicContact CD1-CE1 4.25Å; I902-F907 HydrophobicContact CG2-CB 4.05Å; I902-F907 HydrophobicContact CG2-CD1 3.79Å; I902-F907 HydrophobicContact CG2-CG 4.33Å; S904-F907 PolarHBondContact O-N 3.21Å; S904-F907 VanDerWaalsContact O-N 3.15Å; S904-F907 PolarHBondContact OG-N 3.2Å; V905-F907 VanDerWaalsContact C-N 3.28Å; V905-F907 PolarHBondContact O-N 3.01Å; F907-L909 VanDerWaalsContact C-N 3.33Å; F907-L909 PolarHBondContact O-N 3.4Å; F907-I910 WeakPolarHBondContact O-CB 3.32Å; F907-I910 PolarHBondContact O-N 3.46Å; F907-L911 HydrophobicContact CD1-CD1 4.02Å; F907-L911 HydrophobicContact CD1-CG 4.07Å; F907-L911 HydrophobicContact CE1-CD1 3.82Å; F907-L911 HydrophobicContact CE1-CD2 3.93Å; F907-L911 HydrophobicContact CE1-CG 3.77Å; F907-L911 HydrophobicContact CZ-CD2 4.26Å; F907-L911 HydrophobicContact CZ-CG 4.46Å; F907-L911 WeakPolarHBondContact O-CG 3.45Å; F907-L911 PolarHBondContact O-N 3.42Å |
| 908 | I | 92.9 | Very high | 91.9 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 11% | 0.108 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 171.9 | -63.9 | 174.2 | 0 | 0 | 0 | 110.6 | T886 I902 S904 V905 I910 L911 H912 | T886-I908 HydrophobicContact CG2-CG2 4.25Å; I902-I908 HydrophobicContact CB-CG1 4.33Å; I902-I908 HydrophobicContact CG2-CG1 4.08Å; S904-I908 PolarHBondContact O-N 3.36Å; V905-I908 WeakPolarHBondContact O-CB 3.48Å; V905-I908 PolarHBondContact O-N 3.49Å; I908-I910 VanDerWaalsContact C-N 3.33Å; I908-I910 PolarHBondContact O-N 2.62Å; I908-L911 WeakPolarHBondContact O-CB 3.45Å; I908-L911 PolarHBondContact O-N 3.13Å; I908-H912 PolarHBondContact O-CD2 3.47Å; I908-H912 VanDerWaalsContact O-CD2 3.27Å; I908-H912 PolarHBondContact O-N 2.76Å |
| 909 | L | 92.9 | Very high | 92.1 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 49% | 0.492 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 174 | -68.1 | 175.6 | 0 | 0 | 0 | 112.2 | V905 W906 F907 H912 S913 | V905-L909 WeakPolarHBondContact O-CG 3.46Å; V905-L909 PolarHBondContact O-N 3.43Å; W906-L909 HydrophobicContact CE3-CD1 4.06Å; W906-L909 HydrophobicContact CZ3-CD1 4.26Å; W906-L909 PolarHBondContact O-N 3.15Å; F907-L909 VanDerWaalsContact C-N 3.33Å; F907-L909 PolarHBondContact O-N 3.4Å; L909-H912 PolarHBondContact O-N 3.36Å; L909-S913 WeakPolarHBondContact O-CB 3.48Å; L909-S913 PolarHBondContact O-N 2.93Å |
| 910 | I | 93.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 173.2 | -70.9 | 165 | 0 | 0 | 0 | 110.1 | L813 W906 F907 I908 H912 S913 M914 | L813-I910 HydrophobicContact CD1-CG2 4.29Å; W906-I910 WeakPolarHBondContact O-CG1 3.45Å; W906-I910 PolarHBondContact O-N 3.09Å; F907-I910 WeakPolarHBondContact O-CB 3.32Å; F907-I910 PolarHBondContact O-N 3.46Å; I908-I910 VanDerWaalsContact C-N 3.33Å; I908-I910 PolarHBondContact O-N 2.62Å; I910-H912 VanDerWaalsContact C-N 3.35Å; I910-H912 PolarHBondContact O-N 3.35Å; I910-S913 WeakPolarHBondContact CA-OG 3.47Å; I910-S913 PolarHBondContact O-N 2.77Å; I910-S913 VanDerWaalsContact O-N 3.1Å; I910-S913 PolarHBondContact O-OG 3.42Å; I910-M914 HydrophobicContact CG2-CG 4.31Å; I910-M914 HydrophobicContact CG2-SD 4.07Å; I910-M914 VanDerWaalsContact O-CG 3.31Å; I910-M914 WeakPolarHBondContact O-CG 3.33Å; I910-M914 PolarHBondContact O-N 2.8Å |
| 911 | L | 92.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 177.2 | -71.3 | 176.2 | 0 | 0 | 0 | 111.9 | V843 I902 F907 I908 S913 M914 V915 | V843-L911 HydrophobicContact CG2-CD2 3.97Å; I902-L911 HydrophobicContact CD1-CD1 3.69Å; F907-L911 HydrophobicContact CD1-CD1 4.02Å; F907-L911 HydrophobicContact CD1-CG 4.07Å; F907-L911 HydrophobicContact CE1-CD1 3.82Å; F907-L911 HydrophobicContact CE1-CD2 3.93Å; F907-L911 HydrophobicContact CE1-CG 3.77Å; F907-L911 HydrophobicContact CZ-CD2 4.26Å; F907-L911 HydrophobicContact CZ-CG 4.46Å; F907-L911 WeakPolarHBondContact O-CG 3.45Å; F907-L911 PolarHBondContact O-N 3.42Å; I908-L911 WeakPolarHBondContact O-CB 3.45Å; I908-L911 PolarHBondContact O-N 3.13Å; L911-S913 VanDerWaalsContact C-N 3.35Å; L911-S913 PolarHBondContact O-N 3.1Å; L911-M914 WeakPolarHBondContact O-CB 3.36Å; L911-M914 PolarHBondContact O-N 2.86Å; L911-V915 VanDerWaalsContact O-CG2 3.31Å; L911-V915 WeakPolarHBondContact O-CG2 3.2Å; L911-V915 PolarHBondContact O-N 3.18Å |
| 912 | H | 93.1 | Very high | 92.7 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 21% | 0.213 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 175 | -72 | -51.4 | 0 | 0 | 0 | 112.9 | Y846 L883 T886 I908 L909 I910 M914 V915 L916 | Y846-H912 PolarHBondContact OH-CE1 2.89Å; L883-H912 WeakPolarHBondContact CD1-CE1 3.4Å; T886-H912 WeakPolarHBondContact CG2-CE1 3.45Å; I908-H912 PolarHBondContact O-CD2 3.47Å; I908-H912 VanDerWaalsContact O-CD2 3.27Å; I908-H912 PolarHBondContact O-N 2.76Å; L909-H912 PolarHBondContact O-N 3.36Å; I910-H912 VanDerWaalsContact C-N 3.35Å; I910-H912 PolarHBondContact O-N 3.35Å; H912-M914 VanDerWaalsContact C-N 3.32Å; H912-M914 PolarHBondContact O-N 3.28Å; H912-V915 PolarHBondContact O-N 3.47Å; H912-L916 PolarHBondContact O-N 2.69Å |
| 913 | S | 93.4 | Very high | 92.8 | Very high | 68 Ų | 68 | 59.8 Ų | 59.8 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 176 | 77.9 | 0 | 0 | 0 | 0 | 112.3 | L909 I910 L911 L916 A917 | L909-S913 WeakPolarHBondContact O-CB 3.48Å; L909-S913 PolarHBondContact O-N 2.93Å; I910-S913 WeakPolarHBondContact CA-OG 3.47Å; I910-S913 PolarHBondContact O-N 2.77Å; I910-S913 VanDerWaalsContact O-N 3.1Å; I910-S913 PolarHBondContact O-OG 3.42Å; L911-S913 VanDerWaalsContact C-N 3.35Å; L911-S913 PolarHBondContact O-N 3.1Å; S913-L916 PolarHBondContact O-N 2.85Å; S913-A917 WeakPolarHBondContact O-CB 3.45Å; S913-A917 PolarHBondContact O-N 3.15Å |
| 914 | M | 93.9 | Very high | 93 | Very high | 20 Ų | 20 | 60 Ų | 60 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 175.5 | -69.5 | 179.8 | 66.8 | 0 | 0 | 111.6 | I806 T809 A810 L813 I910 L911 H912 A917 N918 | I806-M914 HydrophobicContact CG2-CB 4.42Å; I806-M914 HydrophobicContact CG2-CE 3.88Å; I806-M914 VanDerWaalsContact O-CE 3.24Å; I806-M914 WeakPolarHBondContact O-CE 3.12Å; T809-M914 HydrophobicContact CG2-CE 3.86Å; A810-M914 HydrophobicContact CB-CE 3.69Å; A810-M914 HydrophobicContact CB-SD 4.29Å; L813-M914 HydrophobicContact CD1-SD 4.07Å; I910-M914 HydrophobicContact CG2-CG 4.31Å; I910-M914 HydrophobicContact CG2-SD 4.07Å; I910-M914 VanDerWaalsContact O-CG 3.31Å; I910-M914 WeakPolarHBondContact O-CG 3.33Å; I910-M914 PolarHBondContact O-N 2.8Å; L911-M914 WeakPolarHBondContact O-CB 3.36Å; L911-M914 PolarHBondContact O-N 2.86Å; H912-M914 VanDerWaalsContact C-N 3.32Å; H912-M914 PolarHBondContact O-N 3.28Å; M914-A917 PolarHBondContact O-N 3.31Å; M914-N918 WeakPolarHBondContact O-CB 3.46Å; M914-N918 PolarHBondContact O-N 2.74Å |
| 915 | V | 93.4 | Very high | 93 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 9% | 0.085 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | Y846 I850 L911 H912 N918 F919 | Y846-V915 HydrophobicContact CD1-CG1 3.67Å; Y846-V915 HydrophobicContact CD1-CG2 4.4Å; Y846-V915 HydrophobicContact CD2-CB 4.33Å; Y846-V915 HydrophobicContact CD2-CG1 4.12Å; Y846-V915 HydrophobicContact CD2-CG2 3.3Å; Y846-V915 HydrophobicContact CE1-CG1 4.27Å; Y846-V915 HydrophobicContact CE2-CG2 3.85Å; Y846-V915 HydrophobicContact CG-CB 4.25Å; Y846-V915 HydrophobicContact CG-CG1 3.57Å; Y846-V915 HydrophobicContact CG-CG2 3.61Å; I850-V915 HydrophobicContact CD1-CG1 4.34Å; L911-V915 VanDerWaalsContact O-CG2 3.31Å; L911-V915 WeakPolarHBondContact O-CG2 3.2Å; L911-V915 PolarHBondContact O-N 3.18Å; H912-V915 PolarHBondContact O-N 3.47Å; V915-N918 WeakPolarHBondContact O-CB 3.46Å; V915-N918 PolarHBondContact O-N 3.4Å; V915-F919 PolarHBondContact O-N 3.34Å |
| 916 | L | 94.1 | Very high | 92.9 | Very high | 110 Ų | 110 | 56.5 Ų | 56.5 | 58% | 0.576 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 175.5 | -178.8 | 61.9 | 0 | 0 | 0 | 111.4 | H912 S913 N918 F919 M920 | H912-L916 PolarHBondContact O-N 2.69Å; S913-L916 PolarHBondContact O-N 2.85Å; L916-N918 VanDerWaalsContact C-N 3.3Å; L916-N918 PolarHBondContact O-N 2.85Å; L916-F919 PolarHBondContact O-N 3.18Å; L916-M920 WeakPolarHBondContact O-CG 3.21Å; L916-M920 PolarHBondContact O-N 3.48Å |
| 917 | A | 94.9 | Very high | 92.5 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S913 M914 M920 A921 | S913-A917 WeakPolarHBondContact O-CB 3.45Å; S913-A917 PolarHBondContact O-N 3.15Å; M914-A917 PolarHBondContact O-N 3.31Å; A917-M920 PolarHBondContact O-N 3.1Å; A917-A921 WeakPolarHBondContact O-CB 3.16Å; A917-A921 PolarHBondContact O-N 2.89Å |
| 918 | N | 95.4 | Very high | 92.2 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 174.3 | -172.4 | 18.1 | 0 | 0 | 0 | 111.9 | I802 I806 Q847 I850 M914 V915 L916 M920 A921 S922 | I802-N918 WeakPolarHBondContact CG2-OD1 3.35Å; I806-N918 HydrophobicContact CD1-CB 3.32Å; I806-N918 WeakPolarHBondContact CD1-OD1 3.48Å; Q847-N918 WeakPolarHBondContact CG-ND2 3.46Å; I850-N918 HydrophobicContact CD1-CB 3.99Å; I850-N918 WeakPolarHBondContact CD1-ND2 3.39Å; M914-N918 WeakPolarHBondContact O-CB 3.46Å; M914-N918 PolarHBondContact O-N 2.74Å; V915-N918 WeakPolarHBondContact O-CB 3.46Å; V915-N918 PolarHBondContact O-N 3.4Å; L916-N918 VanDerWaalsContact C-N 3.3Å; L916-N918 PolarHBondContact O-N 2.85Å; N918-M920 VanDerWaalsContact C-N 3.32Å; N918-M920 PolarHBondContact O-N 3.2Å; N918-A921 PolarHBondContact O-N 2.81Å; N918-S922 WeakPolarHBondContact O-CB 3.47Å; N918-S922 PolarHBondContact O-N 2.91Å |
| 919 | F | 94.9 | Very high | 91.8 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 33% | 0.333 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 178.9 | 177.4 | -104.4 | 0 | 0 | 0 | 111.6 | I850 I853 V915 L916 S922 Y923 | I850-F919 HydrophobicContact CD1-CB 4.06Å; I850-F919 HydrophobicContact CG1-CB 4.24Å; I850-F919 HydrophobicContact CG1-CD2 4.17Å; I850-F919 HydrophobicContact CG2-CD2 4.31Å; I853-F919 HydrophobicContact CD1-CE2 4.29Å; I853-F919 HydrophobicContact CG2-CE2 4.17Å; V915-F919 PolarHBondContact O-N 3.34Å; L916-F919 PolarHBondContact O-N 3.18Å; F919-S922 PolarHBondContact O-N 3.37Å; F919-Y923 WeakPolarHBondContact O-CB 3.21Å; F919-Y923 PolarHBondContact O-N 3.1Å |
| 920 | M | 94.7 | Very high | 90.8 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 49% | 0.488 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 177.6 | -67.3 | -59.4 | -66.2 | 0 | 0 | 112.2 | L916 A917 N918 Y923 I924 | L916-M920 WeakPolarHBondContact O-CG 3.21Å; L916-M920 PolarHBondContact O-N 3.48Å; A917-M920 PolarHBondContact O-N 3.1Å; N918-M920 VanDerWaalsContact C-N 3.32Å; N918-M920 PolarHBondContact O-N 3.2Å; M920-Y923 PolarHBondContact O-N 2.91Å; M920-I924 WeakPolarHBondContact O-CD1 3.21Å; M920-I924 VanDerWaalsContact O-CG1 3.23Å; M920-I924 WeakPolarHBondContact O-CG1 3.26Å; M920-I924 PolarHBondContact O-N 2.81Å |
| 921 | A | 94.4 | Very high | 89.7 | Confident | 35 Ų | 35 | 49 Ų | 49 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I802 A917 N918 Y923 I924 V925 | I802-A921 HydrophobicContact CD1-CB 4.39Å; I802-A921 HydrophobicContact CG2-CB 4.05Å; A917-A921 WeakPolarHBondContact O-CB 3.16Å; A917-A921 PolarHBondContact O-N 2.89Å; N918-A921 PolarHBondContact O-N 2.81Å; A921-Y923 PolarHBondContact O-N 2.86Å; A921-I924 PolarHBondContact O-N 2.9Å; A921-V925 PolarHBondContact O-N 3.13Å |
| 922 | S | 93.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 177 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | Q799 A854 N918 F919 V925 E926 | Q799-S922 VanDerWaalsContact CD-OG 3.28Å; Q799-S922 PolarHBondContact NE2-O 2.91Å; Q799-S922 PolarHBondContact NE2-OG 3.17Å; Q799-S922 VanDerWaalsContact OE1-CB 3.23Å; Q799-S922 PolarHBondContact OE1-OG 3.44Å; A854-S922 WeakPolarHBondContact CB-OG 3.44Å; N918-S922 WeakPolarHBondContact O-CB 3.47Å; N918-S922 PolarHBondContact O-N 2.91Å; F919-S922 PolarHBondContact O-N 3.37Å; S922-V925 PolarHBondContact O-N 3.36Å; S922-E926 PolarHBondContact O-N 2.91Å |
| 923 | Y | 90.4 | Very high | 86.7 | Confident | 145 Ų | 145 | 55.6 Ų | 55.6 | 57% | 0.569 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 178.1 | -175.5 | -99.2 | 0 | 0 | 0 | 112.7 | F919 M920 A921 S927 | F919-Y923 WeakPolarHBondContact O-CB 3.21Å; F919-Y923 PolarHBondContact O-N 3.1Å; M920-Y923 PolarHBondContact O-N 2.91Å; A921-Y923 PolarHBondContact O-N 2.86Å; Y923-S927 VanDerWaalsContact O-CB 3.26Å; Y923-S927 WeakPolarHBondContact O-CB 3.42Å; Y923-S927 PolarHBondContact O-N 3.25Å; Y923-S927 PolarHBondContact O-OG 3.38Å |
| 924 | I | 90.7 | Very high | 85.7 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 46% | 0.456 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.3 | -70.4 | 165.6 | 0 | 0 | 0 | 110.5 | M920 A921 S927 I928 | M920-I924 WeakPolarHBondContact O-CD1 3.21Å; M920-I924 VanDerWaalsContact O-CG1 3.23Å; M920-I924 WeakPolarHBondContact O-CG1 3.26Å; M920-I924 PolarHBondContact O-N 2.81Å; A921-I924 PolarHBondContact O-N 2.9Å; I924-S927 PolarHBondContact O-N 2.88Å; I924-I928 HydrophobicContact CG2-CD1 3.74Å; I924-I928 HydrophobicContact CG2-CG1 4.46Å; I924-I928 VanDerWaalsContact O-CG1 3.25Å; I924-I928 WeakPolarHBondContact O-CG1 3.3Å; I924-I928 PolarHBondContact O-N 2.67Å |
| 925 | V | 90.6 | Very high | 84.5 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | -179.6 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | I802 A921 S922 S927 I928 V929 | I802-V925 HydrophobicContact CD1-CB 3.96Å; I802-V925 HydrophobicContact CD1-CG1 4.39Å; I802-V925 HydrophobicContact CD1-CG2 3.64Å; A921-V925 PolarHBondContact O-N 3.13Å; S922-V925 PolarHBondContact O-N 3.36Å; V925-S927 PolarHBondContact O-N 2.88Å; V925-I928 PolarHBondContact O-N 3.43Å; V925-V929 HydrophobicContact CG1-CG2 4.38Å; V925-V929 WeakPolarHBondContact O-CG2 3.35Å; V925-V929 PolarHBondContact O-N 3.07Å |
| 926 | E | 88.2 | Confident | 83.3 | Confident | 9 Ų | 9 | 66 Ų | 66 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 177.3 | -159.4 | 71.9 | 176.5 | 0 | 0 | 111.2 | K726 S795 Q799 S922 I928 V929 D930 | K726-E926 IonicContact NZ-OE1 2.69Å; K726-E926 PolarHBondContact NZ-OE1 2.87Å; S795-E926 WeakPolarHBondContact CB-OE2 3.32Å; S795-E926 PolarHBondContact OG-OE1 3.21Å; S795-E926 PolarHBondContact OG-OE2 3.02Å; Q799-E926 PolarHBondContact NE2-OE2 3.43Å; S922-E926 PolarHBondContact O-N 2.91Å; E926-I928 VanDerWaalsContact C-N 3.27Å; E926-I928 PolarHBondContact O-N 3.36Å; E926-V929 PolarHBondContact O-N 2.89Å; E926-V929 VanDerWaalsContact O-N 3.14Å; E926-D930 WeakPolarHBondContact O-CB 3.3Å; E926-D930 PolarHBondContact O-N 2.92Å |
| 927 | S | 84.2 | Confident | 82.1 | Confident | 56 Ų | 56 | 68.6 Ų | 68.6 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -36.5 | 175.9 | -62 | 0 | 0 | 0 | 0 | 112.7 | Y923 I924 V925 G931 | Y923-S927 VanDerWaalsContact O-CB 3.26Å; Y923-S927 WeakPolarHBondContact O-CB 3.42Å; Y923-S927 PolarHBondContact O-N 3.25Å; Y923-S927 PolarHBondContact O-OG 3.38Å; I924-S927 PolarHBondContact O-N 2.88Å; V925-S927 PolarHBondContact O-N 2.88Å; S927-G931 WeakPolarHBondContact O-CA 3.45Å; S927-G931 PolarHBondContact O-N 2.99Å |
| 928 | I | 85.5 | Confident | 81 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.3 | -48 | 175 | -69.8 | 165.7 | 0 | 0 | 0 | 110.1 | I924 V925 E926 D930 G931 F934 | I924-I928 HydrophobicContact CG2-CD1 3.74Å; I924-I928 HydrophobicContact CG2-CG1 4.46Å; I924-I928 VanDerWaalsContact O-CG1 3.25Å; I924-I928 WeakPolarHBondContact O-CG1 3.3Å; I924-I928 PolarHBondContact O-N 2.67Å; V925-I928 PolarHBondContact O-N 3.43Å; E926-I928 VanDerWaalsContact C-N 3.27Å; E926-I928 PolarHBondContact O-N 3.36Å; I928-D930 VanDerWaalsContact C-N 3.35Å; I928-D930 PolarHBondContact O-N 3.34Å; I928-G931 PolarHBondContact O-N 3.39Å; I928-G931 VanDerWaalsContact O-N 3.16Å; I928-F934 HydrophobicContact CG2-CD2 4.22Å; I928-F934 WeakPolarHBondContact O-CB 3.44Å |
| 929 | V | 82.7 | Confident | 79.6 | Confident | 7 Ų | 7 | 74.3 Ų | 74.3 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | -177.1 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | V791 V925 E926 G931 F934 | V791-V929 HydrophobicContact CG1-CG1 3.87Å; V925-V929 HydrophobicContact CG1-CG2 4.38Å; V925-V929 WeakPolarHBondContact O-CG2 3.35Å; V925-V929 PolarHBondContact O-N 3.07Å; E926-V929 PolarHBondContact O-N 2.89Å; E926-V929 VanDerWaalsContact O-N 3.14Å; V929-G931 VanDerWaalsContact C-N 3.32Å; V929-F934 HydrophobicContact CB-CD1 4.35Å; V929-F934 HydrophobicContact CB-CE1 4.2Å; V929-F934 HydrophobicContact CG1-CD1 4.28Å; V929-F934 HydrophobicContact CG1-CE1 3.95Å; V929-F934 HydrophobicContact CG2-CE1 4.07Å; V929-F934 HydrophobicContact CG2-CZ 4.27Å; V929-F934 VanDerWaalsContact O-CD1 3.26Å; V929-F934 WeakPolarHBondContact O-CD1 3.18Å |
| 930 | D | 73 | Confident | 78.4 | Confident | 36 Ų | 36 | 78.3 Ų | 78.3 | 19% | 0.193 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -77.2 | -20.8 | 176.5 | -72.9 | -21.2 | 0 | 0 | 0 | 113 | E857 E926 I928 V932 R935 | E857-D930 WeakPolarHBondContact CG-OD2 3.36Å; E926-D930 WeakPolarHBondContact O-CB 3.3Å; E926-D930 PolarHBondContact O-N 2.92Å; I928-D930 VanDerWaalsContact C-N 3.35Å; I928-D930 PolarHBondContact O-N 3.34Å; D930-V932 PolarHBondContact O-N 3.42Å; D930-R935 VanDerWaalsContact O-CZ 3.24Å; D930-R935 PolarHBondContact O-NE 3.35Å; D930-R935 VanDerWaalsContact O-NE 3.08Å; D930-R935 PolarHBondContact O-NH2 3.3Å |
| 931 | G | 70 | Confident | 77.3 | Confident | 22 Ų | 22 | 77.5 Ų | 77.5 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -50.3 | 131.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S927 I928 V929 S933 F934 R935 | S927-G931 WeakPolarHBondContact O-CA 3.45Å; S927-G931 PolarHBondContact O-N 2.99Å; I928-G931 PolarHBondContact O-N 3.39Å; I928-G931 VanDerWaalsContact O-N 3.16Å; V929-G931 VanDerWaalsContact C-N 3.32Å; G931-S933 PolarHBondContact O-N 3.49Å; G931-S933 VanDerWaalsContact O-N 3.08Å; G931-F934 PolarHBondContact O-N 3.42Å; G931-R935 PolarHBondContact O-N 3.27Å; G931-R935 VanDerWaalsContact O-N 3.12Å |
| 932 | V | 64.8 | Low | 75.9 | Confident | 86 Ų | 86 | 81.6 Ų | 81.6 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -53.3 | -34.7 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | D930 R935 R936 | D930-V932 PolarHBondContact O-N 3.42Å; V932-R935 PolarHBondContact O-N 3.2Å; V932-R936 HydrophobicContact CG1-CG 4.27Å; V932-R936 WeakPolarHBondContact O-CB 3.01Å; V932-R936 VanDerWaalsContact O-CG 3.28Å; V932-R936 WeakPolarHBondContact O-CG 3.43Å; V932-R936 PolarHBondContact O-N 2.8Å |
| 933 | S | 59.2 | Low | 74.5 | Confident | 98 Ų | 98 | 89.6 Ų | 89.6 | 69% | 0.685 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.8 | -45.9 | 175.2 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | G931 R936 R937 | G931-S933 PolarHBondContact O-N 3.49Å; G931-S933 VanDerWaalsContact O-N 3.08Å; S933-R936 PolarHBondContact O-N 2.85Å; S933-R937 VanDerWaalsContact O-CB 3.29Å; S933-R937 WeakPolarHBondContact O-CB 3.4Å; S933-R937 PolarHBondContact O-N 3.29Å |
| 934 | F | 70.8 | Confident | 73.7 | Confident | 59 Ų | 59 | 87.8 Ų | 87.8 | 26% | 0.259 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.4 | -45.4 | 179.1 | -175.9 | -102.2 | 0 | 0 | 0 | 111 | I928 V929 G931 R936 R937 I938 | I928-F934 HydrophobicContact CG2-CD2 4.22Å; I928-F934 WeakPolarHBondContact O-CB 3.44Å; V929-F934 HydrophobicContact CB-CD1 4.35Å; V929-F934 HydrophobicContact CB-CE1 4.2Å; V929-F934 HydrophobicContact CG1-CD1 4.28Å; V929-F934 HydrophobicContact CG1-CE1 3.95Å; V929-F934 HydrophobicContact CG2-CE1 4.07Å; V929-F934 HydrophobicContact CG2-CZ 4.27Å; V929-F934 VanDerWaalsContact O-CD1 3.26Å; V929-F934 WeakPolarHBondContact O-CD1 3.18Å; G931-F934 PolarHBondContact O-N 3.42Å; F934-R936 VanDerWaalsContact C-N 3.32Å; F934-R936 PolarHBondContact O-N 3.28Å; F934-R937 PolarHBondContact O-N 2.86Å; F934-R937 VanDerWaalsContact O-N 3.08Å; F934-I938 HydrophobicContact CD1-CD1 3.7Å; F934-I938 HydrophobicContact CD1-CG1 4.21Å; F934-I938 HydrophobicContact CE1-CD1 3.1Å; F934-I938 HydrophobicContact CE1-CG1 3.98Å; F934-I938 HydrophobicContact CE2-CD1 4.17Å; F934-I938 HydrophobicContact CE2-CG1 4.39Å; F934-I938 HydrophobicContact CG-CD1 4.48Å; F934-I938 HydrophobicContact CZ-CD1 3.39Å; F934-I938 HydrophobicContact CZ-CG1 4.08Å; F934-I938 PolarHBondContact O-N 3.4Å |
| 935 | R | 68.8 | Low | 72.7 | Confident | 97 Ų | 97 | 89.1 Ų | 89.1 | 37% | 0.366 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.3 | -44.7 | 173.6 | -72.8 | -169.1 | -100 | -152.9 | -2.3 | 111.9 | D930 G931 V932 R939 | D930-R935 VanDerWaalsContact O-CZ 3.24Å; D930-R935 PolarHBondContact O-NE 3.35Å; D930-R935 VanDerWaalsContact O-NE 3.08Å; D930-R935 PolarHBondContact O-NH2 3.3Å; G931-R935 PolarHBondContact O-N 3.27Å; G931-R935 VanDerWaalsContact O-N 3.12Å; V932-R935 PolarHBondContact O-N 3.2Å; R935-R939 WeakPolarHBondContact O-CB 3.36Å; R935-R939 VanDerWaalsContact O-CG 3.25Å; R935-R939 WeakPolarHBondContact O-CG 3.13Å; R935-R939 PolarHBondContact O-N 3.47Å |
| 936 | R | 68 | Low | 71.4 | Confident | 165 Ų | 165 | 92.8 Ų | 92.8 | 62% | 0.623 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 175.5 | -74.7 | 179.5 | -175.6 | -179 | 3.4 | 112.4 | V932 S933 F934 R939 R940 | V932-R936 HydrophobicContact CG1-CG 4.27Å; V932-R936 WeakPolarHBondContact O-CB 3.01Å; V932-R936 VanDerWaalsContact O-CG 3.28Å; V932-R936 WeakPolarHBondContact O-CG 3.43Å; V932-R936 PolarHBondContact O-N 2.8Å; S933-R936 PolarHBondContact O-N 2.85Å; F934-R936 VanDerWaalsContact C-N 3.32Å; F934-R936 PolarHBondContact O-N 3.28Å; R936-R939 PolarHBondContact O-N 3.29Å; R936-R940 PolarHBondContact O-N 3.16Å |
| 937 | R | 70.5 | Confident | 69.8 | Low | 165 Ų | 165 | 97 Ų | 97 | 62% | 0.623 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -71.7 | -43.3 | 179.7 | -168.9 | 150.2 | -178 | 141.6 | -2.1 | 111.8 | S933 F934 R939 R940 I941 | S933-R937 VanDerWaalsContact O-CB 3.29Å; S933-R937 WeakPolarHBondContact O-CB 3.4Å; S933-R937 PolarHBondContact O-N 3.29Å; F934-R937 PolarHBondContact O-N 2.86Å; F934-R937 VanDerWaalsContact O-N 3.08Å; R937-R939 PolarHBondContact O-N 2.84Å; R937-R940 WeakPolarHBondContact O-CB 3.25Å; R937-R940 PolarHBondContact O-N 2.88Å; R937-I941 HydrophobicContact CG-CD1 4Å; R937-I941 VanDerWaalsContact O-CG1 3.32Å; R937-I941 WeakPolarHBondContact O-CG1 3.33Å; R937-I941 PolarHBondContact O-N 2.82Å |
| 938 | I | 70.6 | Confident | 68.1 | Low | 38 Ų | 38 | 106.3 Ų | 106.3 | 20% | 0.195 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 170.1 | -74.1 | -170.6 | 0 | 0 | 0 | 110.7 | F934 R940 I941 R942 | F934-I938 HydrophobicContact CD1-CD1 3.7Å; F934-I938 HydrophobicContact CD1-CG1 4.21Å; F934-I938 HydrophobicContact CE1-CD1 3.1Å; F934-I938 HydrophobicContact CE1-CG1 3.98Å; F934-I938 HydrophobicContact CE2-CD1 4.17Å; F934-I938 HydrophobicContact CE2-CG1 4.39Å; F934-I938 HydrophobicContact CG-CD1 4.48Å; F934-I938 HydrophobicContact CZ-CD1 3.39Å; F934-I938 HydrophobicContact CZ-CG1 4.08Å; F934-I938 PolarHBondContact O-N 3.4Å; I938-R940 VanDerWaalsContact C-N 3.27Å; I938-R940 PolarHBondContact O-N 2.84Å; I938-I941 PolarHBondContact O-N 2.85Å; I938-R942 VanDerWaalsContact O-CB 3.25Å; I938-R942 WeakPolarHBondContact O-CB 3.2Å; I938-R942 PolarHBondContact O-N 2.83Å |
| 939 | R | 66.4 | Low | 66.3 | Low | 144 Ų | 144 | 111.3 Ų | 111.3 | 54% | 0.543 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.2 | -40.7 | 176.2 | -77.8 | 178.6 | -175.8 | -179 | 5 | 111.3 | R935 R936 R937 R943 | R935-R939 WeakPolarHBondContact O-CB 3.36Å; R935-R939 VanDerWaalsContact O-CG 3.25Å; R935-R939 WeakPolarHBondContact O-CG 3.13Å; R935-R939 PolarHBondContact O-N 3.47Å; R936-R939 PolarHBondContact O-N 3.29Å; R937-R939 PolarHBondContact O-N 2.84Å; R939-R943 WeakPolarHBondContact O-CB 3.33Å; R939-R943 VanDerWaalsContact O-CG 3.3Å; R939-R943 WeakPolarHBondContact O-CG 3.34Å; R939-R943 PolarHBondContact O-N 2.69Å |
| 940 | R | 69.2 | Low | 64.7 | Low | 160 Ų | 160 | 113.9 Ų | 113.9 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -51.4 | 173.4 | -91.4 | -174.7 | -79.7 | 176.2 | -7.2 | 112.5 | R936 R937 I938 R942 R943 T944 | R936-R940 PolarHBondContact O-N 3.16Å; R937-R940 WeakPolarHBondContact O-CB 3.25Å; R937-R940 PolarHBondContact O-N 2.88Å; I938-R940 VanDerWaalsContact C-N 3.27Å; I938-R940 PolarHBondContact O-N 2.84Å; R940-R942 VanDerWaalsContact C-N 3.28Å; R940-R942 PolarHBondContact O-N 3.49Å; R940-R943 WeakPolarHBondContact O-CB 3.43Å; R940-R943 PolarHBondContact O-N 2.76Å; R940-R943 VanDerWaalsContact O-N 3.09Å; R940-T944 WeakPolarHBondContact O-CG2 3.43Å; R940-T944 PolarHBondContact O-N 3.49Å; R940-T944 PolarHBondContact O-OG1 2.99Å |
| 941 | I | 72.6 | Confident | 63.6 | Low | 81 Ų | 81 | 120.2 Ų | 120.2 | 42% | 0.415 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 179.2 | -69.9 | 166.7 | 0 | 0 | 0 | 111.1 | R937 I938 T944 L945 | R937-I941 HydrophobicContact CG-CD1 4Å; R937-I941 VanDerWaalsContact O-CG1 3.32Å; R937-I941 WeakPolarHBondContact O-CG1 3.33Å; R937-I941 PolarHBondContact O-N 2.82Å; I938-I941 PolarHBondContact O-N 2.85Å; I941-T944 VanDerWaalsContact CA-OG1 3.3Å; I941-T944 WeakPolarHBondContact CA-OG1 3.43Å; I941-T944 PolarHBondContact O-N 2.82Å; I941-T944 PolarHBondContact O-OG1 2.87Å; I941-L945 HydrophobicContact CG2-CD1 3.47Å; I941-L945 VanDerWaalsContact CG2-CD1 3.47Å; I941-L945 HydrophobicContact CG2-CG 4.19Å; I941-L945 WeakPolarHBondContact O-CB 3.4Å; I941-L945 WeakPolarHBondContact O-CG 3.43Å; I941-L945 PolarHBondContact O-N 3.49Å |
| 942 | R | 65.2 | Low | 63 | Low | 122 Ų | 122 | 124.8 Ų | 124.8 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.8 | -41.1 | 176.3 | -174 | 177.1 | 177.4 | -175.3 | -2.7 | 111.8 | I938 R940 T944 F946 V950 | I938-R942 VanDerWaalsContact O-CB 3.25Å; I938-R942 WeakPolarHBondContact O-CB 3.2Å; I938-R942 PolarHBondContact O-N 2.83Å; R940-R942 VanDerWaalsContact C-N 3.28Å; R940-R942 PolarHBondContact O-N 3.49Å; R942-T944 VanDerWaalsContact C-N 3.3Å; R942-T944 PolarHBondContact O-N 3.06Å; R942-F946 CarbonylContact O-C 3.36Å; R942-F946 PolarHBondContact O-N 3.01Å; R942-V950 HydrophobicContact CG-CG2 4.29Å |
| 943 | R | 63.8 | Low | 63.3 | Low | 170 Ų | 170 | 125.3 Ų | 125.3 | 64% | 0.642 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.3 | -34.4 | 174.4 | -75.7 | 178.5 | -172.6 | 179 | 1.7 | 111.8 | R939 R940 | R939-R943 WeakPolarHBondContact O-CB 3.33Å; R939-R943 VanDerWaalsContact O-CG 3.3Å; R939-R943 WeakPolarHBondContact O-CG 3.34Å; R939-R943 PolarHBondContact O-N 2.69Å; R940-R943 WeakPolarHBondContact O-CB 3.43Å; R940-R943 PolarHBondContact O-N 2.76Å; R940-R943 VanDerWaalsContact O-N 3.09Å |
| 944 | T | 72.5 | Confident | 64.2 | Low | 107 Ų | 107 | 122.1 Ų | 122.1 | 66% | 0.656 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -79.4 | -41.3 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | R940 I941 R942 | R940-T944 WeakPolarHBondContact O-CG2 3.43Å; R940-T944 PolarHBondContact O-N 3.49Å; R940-T944 PolarHBondContact O-OG1 2.99Å; I941-T944 VanDerWaalsContact CA-OG1 3.3Å; I941-T944 WeakPolarHBondContact CA-OG1 3.43Å; I941-T944 PolarHBondContact O-N 2.82Å; I941-T944 PolarHBondContact O-OG1 2.87Å; R942-T944 VanDerWaalsContact C-N 3.3Å; R942-T944 PolarHBondContact O-N 3.06Å |
| 945 | L | 69.9 | Low | 64.6 | Low | 116 Ų | 116 | 120.7 Ų | 120.7 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -77.8 | -36.3 | -178.2 | -75.1 | 170.9 | 0 | 0 | 0 | 112.8 | I941 P947 | I941-L945 HydrophobicContact CG2-CD1 3.47Å; I941-L945 VanDerWaalsContact CG2-CD1 3.47Å; I941-L945 HydrophobicContact CG2-CG 4.19Å; I941-L945 WeakPolarHBondContact O-CB 3.4Å; I941-L945 WeakPolarHBondContact O-CG 3.43Å; I941-L945 PolarHBondContact O-N 3.49Å; L945-P947 VanDerWaalsContact C-CD 3.5Å |
| 946 | F | 63.3 | Low | 65.2 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | trans | -132.6 | 64.2 | -175.3 | -61.3 | -72.6 | 0 | 0 | 0 | 111.5 | R942 R948 R949 | R942-F946 CarbonylContact O-C 3.36Å; R942-F946 PolarHBondContact O-N 3.01Å; F946-R948 PolarHBondContact O-N 2.97Å; F946-R948 VanDerWaalsContact O-N 3.16Å; F946-R949 HydrophobicContact CB-CB 4.33Å; F946-R949 PolarHBondContact O-N 3.15Å | ||
| 947 | P | 54.9 | Low | 65.8 | Low | 98 Ų | 98 | 118.6 Ų | 118.6 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.3 | -178.8 | 22.1 | -31.6 | 0 | 0 | 0 | 112.4 | L945 | L945-P947 VanDerWaalsContact C-CD 3.5Š|
| 948 | R | 47.9 | Very low | 66.2 | Low | 251 Ų | 251 | 111.9 Ų | 111.9 | 95% | 0.947 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -7.9 | -177.1 | -68.8 | -174.8 | 173.3 | 175.6 | -2.5 | 115.8 | F946 | F946-R948 PolarHBondContact O-N 2.97Å; F946-R948 VanDerWaalsContact O-N 3.16Å |
| 949 | R | 47.5 | Very low | 66.6 | Low | 200 Ų | 200 | 114.5 Ų | 114.5 | 76% | 0.755 | 50% | 0.502 | S | S | * | . | trans | -116.4 | 6 | -172.4 | -95.2 | -171.7 | -166.9 | -172.8 | 5.4 | 115.7 | F946 E951 | F946-R949 HydrophobicContact CB-CB 4.33Å; F946-R949 PolarHBondContact O-N 3.15Å; R949-E951 PolarHBondContact O-N 2.84Å | ||
| 950 | V | 49.5 | Very low | 67 | Low | 60 Ų | 60 | 110.4 Ų | 110.4 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | trans | -81 | 81 | 169.8 | -171.8 | 0 | 0 | 0 | 0 | 107.5 | R942 R952 | R942-V950 HydrophobicContact CG-CG2 4.29Å; V950-R952 VanDerWaalsContact C-N 3.34Å; V950-R952 PolarHBondContact O-N 2.87Å | ||
| 951 | E | 49.9 | Very low | 67.4 | Low | 170 Ų | 170 | 107.3 Ų | 107.3 | 79% | 0.794 | 48% | 0.481 | S | S | * | . | trans | -56.4 | 100 | 168.9 | -78.3 | 178.8 | 168 | 0 | 0 | 108.2 | R949 | R949-E951 PolarHBondContact O-N 2.84Š| ||
| 952 | R | 58 | Low | 67.5 | Low | 117 Ų | 117 | 103.5 Ų | 103.5 | 44% | 0.442 | 46% | 0.461 | S | S | . | . | trans | -63.2 | 145.2 | 163.9 | -70.6 | -179.2 | 178.8 | 178.2 | -10.9 | 107.8 | V950 A954 R957 E960 | V950-R952 VanDerWaalsContact C-N 3.34Å; V950-R952 PolarHBondContact O-N 2.87Å; R952-A954 PolarHBondContact O-N 2.83Å; R952-R957 HydrophobicContact CB-CG 3.62Å; R952-E960 IonicContact CZ-OE1 3.14Å; R952-E960 IonicContact CZ-OE2 2.89Å; R952-E960 IonicContact NE-OE1 2.81Å; R952-E960 IonicContact NH1-OE1 3.73Å; R952-E960 PolarHBondContact NH1-OE1 3.06Å; R952-E960 IonicContact NH1-OE2 3.2Å; R952-E960 PolarHBondContact NH1-OE2 3.26Å; R952-E960 IonicContact NH2-OE1 2.83Å | ||
| 953 | K | 71.9 | Confident | 67.8 | Low | 97 Ų | 97 | 101.4 Ų | 101.4 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | trans | -58.8 | 142.8 | 177.3 | -58.7 | 177.5 | -172.3 | 167.5 | 0 | 108 | Y955 E956 R957 | K953-Y955 HydrophobicContact CB-CD1 3.81Å; K953-Y955 HydrophobicContact CB-CE1 3.57Å; K953-Y955 HydrophobicContact CD-CD1 4.4Å; K953-Y955 HydrophobicContact CD-CE1 3.35Å; K953-Y955 VanDerWaalsContact CD-CZ 3.44Å; K953-Y955 WeakPolarHBondContact CD-OH 3.46Å; K953-Y955 HydrophobicContact CG-CE1 4.11Å; K953-Y955 PolarHBondContact NZ-OH 3.32Å; K953-Y955 PolarHBondContact O-N 3.28Å; K953-E956 HydrophobicContact CB-CB 4.49Å; K953-E956 HydrophobicContact CB-CG 4.08Å; K953-E956 PolarHBondContact N-OE2 2.83Å; K953-E956 IonicContact NZ-OE1 3.8Å; K953-E956 WeakPolarHBondContact O-CB 3.38Å; K953-E956 PolarHBondContact O-N 2.71Å; K953-R957 PolarHBondContact O-N 3.14Å; K953-R957 VanDerWaalsContact O-N 3.12Å | ||
| 954 | A | 76.9 | Confident | 68 | Low | 32 Ų | 32 | 102.5 Ų | 102.5 | 26% | 0.264 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V660 R952 E956 R957 I958 | V660-A954 HydrophobicContact CG1-CB 4.39Å; V660-A954 WeakPolarHBondContact O-CB 3.47Å; R952-A954 PolarHBondContact O-N 2.83Å; A954-E956 VanDerWaalsContact C-N 3.34Å; A954-E956 PolarHBondContact O-N 3Å; A954-R957 PolarHBondContact O-N 3.19Å; A954-I958 WeakPolarHBondContact O-CD1 3.45Å; A954-I958 VanDerWaalsContact O-CG1 3.32Å; A954-I958 WeakPolarHBondContact O-CG1 3.49Å; A954-I958 PolarHBondContact O-N 3.15Å |
| 955 | Y | 80.1 | Confident | 67.6 | Low | 29 Ų | 29 | 98.8 Ų | 98.8 | 11% | 0.114 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63 | -34.3 | 174 | 71 | -99.6 | 0 | 0 | 0 | 114 | V660 Y662 K953 I958 R959 | V660-Y955 PolarHBondContact O-N 2.81Å; Y662-Y955 AromaticContact CD1-CD1 3.92Å; Y662-Y955 HydrophobicContact CD1-CD1 3.92Å; Y662-Y955 HydrophobicContact CD1-CD2 4.46Å; Y662-Y955 AromaticContact CD1-CE1 3.94Å; Y662-Y955 HydrophobicContact CD1-CE1 3.94Å; Y662-Y955 HydrophobicContact CD1-CG 4.19Å; Y662-Y955 HydrophobicContact CD2-CD1 4.19Å; Y662-Y955 HydrophobicContact CD2-CG 4.23Å; Y662-Y955 AromaticContact CE1-CD1 3.84Å; Y662-Y955 HydrophobicContact CE1-CD1 3.84Å; Y662-Y955 AromaticContact CE1-CD2 3.59Å; Y662-Y955 HydrophobicContact CE1-CD2 3.59Å; Y662-Y955 AromaticContact CE1-CE1 3.97Å; Y662-Y955 HydrophobicContact CE1-CE1 3.97Å; Y662-Y955 AromaticContact CE1-CE2 3.76Å; Y662-Y955 HydrophobicContact CE1-CE2 3.76Å; Y662-Y955 AromaticContact CE1-CG 3.65Å; Y662-Y955 HydrophobicContact CE1-CG 3.65Å; Y662-Y955 AromaticContact CE1-CZ 3.95Å; Y662-Y955 HydrophobicContact CE2-CD1 4.12Å; Y662-Y955 HydrophobicContact CE2-CD2 4.24Å; Y662-Y955 AromaticContact CE2-CG 3.69Å; Y662-Y955 HydrophobicContact CE2-CG 3.69Å; Y662-Y955 HydrophobicContact CG-CD1 4.1Å; Y662-Y955 HydrophobicContact CG-CE1 4.45Å; Y662-Y955 HydrophobicContact CG-CG 4.46Å; Y662-Y955 VanDerWaalsContact CZ-CB 3.45Å; Y662-Y955 AromaticContact CZ-CD1 3.95Å; Y662-Y955 AromaticContact CZ-CD2 3.46Å; Y662-Y955 VanDerWaalsContact CZ-CD2 3.46Å; Y662-Y955 AromaticContact CZ-CG 3.37Å; Y662-Y955 VanDerWaalsContact OH-CD2 3.3Å; Y662-Y955 WeakPolarHBondContact OH-CD2 3.2Å; K953-Y955 HydrophobicContact CB-CD1 3.81Å; K953-Y955 HydrophobicContact CB-CE1 3.57Å; K953-Y955 HydrophobicContact CD-CD1 4.4Å; K953-Y955 HydrophobicContact CD-CE1 3.35Å; K953-Y955 VanDerWaalsContact CD-CZ 3.44Å; K953-Y955 WeakPolarHBondContact CD-OH 3.46Å; K953-Y955 HydrophobicContact CG-CE1 4.11Å; K953-Y955 PolarHBondContact NZ-OH 3.32Å; K953-Y955 PolarHBondContact O-N 3.28Å; Y955-I958 PolarHBondContact O-N 2.76Å; Y955-R959 VanDerWaalsContact O-CB 3.3Å; Y955-R959 WeakPolarHBondContact O-CB 3.46Å; Y955-R959 PolarHBondContact O-N 3.39Å |
| 956 | E | 80.4 | Confident | 66.9 | Low | 69 Ų | 69 | 95.8 Ų | 95.8 | 32% | 0.322 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 176.4 | -66.9 | 169.3 | 177.6 | 0 | 0 | 110.2 | K953 A954 E960 | K953-E956 HydrophobicContact CB-CB 4.49Å; K953-E956 HydrophobicContact CB-CG 4.08Å; K953-E956 PolarHBondContact N-OE2 2.83Å; K953-E956 IonicContact NZ-OE1 3.8Å; K953-E956 WeakPolarHBondContact O-CB 3.38Å; K953-E956 PolarHBondContact O-N 2.71Å; A954-E956 VanDerWaalsContact C-N 3.34Å; A954-E956 PolarHBondContact O-N 3Å; E956-E960 WeakPolarHBondContact O-CB 3.14Å; E956-E960 WeakPolarHBondContact O-CG 3.43Å; E956-E960 PolarHBondContact O-N 2.87Å |
| 957 | R | 80.5 | Confident | 66.3 | Low | 149 Ų | 149 | 93.8 Ų | 93.8 | 56% | 0.562 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 174.7 | -68.8 | -167 | -72.8 | 143.1 | -0.5 | 111.6 | R952 K953 A954 E960 E961 | R952-R957 HydrophobicContact CB-CG 3.62Å; K953-R957 PolarHBondContact O-N 3.14Å; K953-R957 VanDerWaalsContact O-N 3.12Å; A954-R957 PolarHBondContact O-N 3.19Å; R957-E960 PolarHBondContact O-N 2.81Å; R957-E961 WeakPolarHBondContact O-CB 3.39Å; R957-E961 PolarHBondContact O-N 2.86Å |
| 958 | I | 79.1 | Confident | 66.2 | Low | 23 Ų | 23 | 95.1 Ų | 95.1 | 12% | 0.118 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 179.4 | -68.4 | 160 | 0 | 0 | 0 | 110.6 | P633 K634 V637 V660 A954 Y955 E961 I962 | P633-I958 HydrophobicContact CB-CD1 3.82Å; K634-I958 HydrophobicContact CB-CG2 4.39Å; K634-I958 HydrophobicContact CG-CG2 4.02Å; V637-I958 HydrophobicContact CB-CG2 4.06Å; V637-I958 HydrophobicContact CG1-CG2 4.29Å; V637-I958 HydrophobicContact CG2-CB 4.15Å; V637-I958 HydrophobicContact CG2-CG2 3.84Å; V660-I958 HydrophobicContact CG1-CD1 3.52Å; A954-I958 WeakPolarHBondContact O-CD1 3.45Å; A954-I958 VanDerWaalsContact O-CG1 3.32Å; A954-I958 WeakPolarHBondContact O-CG1 3.49Å; A954-I958 PolarHBondContact O-N 3.15Å; Y955-I958 PolarHBondContact O-N 2.76Å; I958-E961 WeakPolarHBondContact O-CB 3.42Å; I958-E961 PolarHBondContact O-N 2.92Å; I958-E961 VanDerWaalsContact O-N 3.17Å; I958-I962 HydrophobicContact CG2-CD1 3.85Å; I958-I962 HydrophobicContact CG2-CG1 4.39Å; I958-I962 VanDerWaalsContact O-CG1 3.26Å; I958-I962 WeakPolarHBondContact O-CG1 3.46Å; I958-I962 PolarHBondContact O-N 3.32Å |
| 959 | R | 80.3 | Confident | 66.7 | Low | 94 Ų | 94 | 85 Ų | 85 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 174.9 | -172.7 | 170.4 | -175.5 | 153.3 | 2.5 | 111.1 | D611 V637 Y955 E961 I962 D963 | D611-R959 IonicContact OD2-CZ 2.63Å; D611-R959 IonicContact OD2-NH2 3.35Å; D611-R959 PolarHBondContact OD2-NH2 3.32Å; V637-R959 HydrophobicContact CG1-CB 3.86Å; Y955-R959 VanDerWaalsContact O-CB 3.3Å; Y955-R959 WeakPolarHBondContact O-CB 3.46Å; Y955-R959 PolarHBondContact O-N 3.39Å; R959-E961 VanDerWaalsContact C-N 3.29Å; R959-E961 PolarHBondContact O-N 3.38Å; R959-I962 PolarHBondContact O-N 3.2Å; R959-D963 WeakPolarHBondContact O-CB 3.45Å; R959-D963 PolarHBondContact O-N 3.48Å |
| 960 | E | 74.9 | Confident | 67 | Low | 58 Ų | 58 | 76.9 Ų | 76.9 | 27% | 0.271 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -35.1 | 174.5 | -76.3 | -176.2 | -151.8 | 0 | 0 | 113 | R952 E956 R957 R964 | R952-E960 IonicContact CZ-OE1 3.14Å; R952-E960 IonicContact CZ-OE2 2.89Å; R952-E960 IonicContact NE-OE1 2.81Å; R952-E960 IonicContact NH1-OE1 3.73Å; R952-E960 PolarHBondContact NH1-OE1 3.06Å; R952-E960 IonicContact NH1-OE2 3.2Å; R952-E960 PolarHBondContact NH1-OE2 3.26Å; R952-E960 IonicContact NH2-OE1 2.83Å; E956-E960 WeakPolarHBondContact O-CB 3.14Å; E956-E960 WeakPolarHBondContact O-CG 3.43Å; E956-E960 PolarHBondContact O-N 2.87Å; R957-E960 PolarHBondContact O-N 2.81Å; E960-R964 VanDerWaalsContact O-CB 3.25Å; E960-R964 WeakPolarHBondContact O-CB 3.47Å; E960-R964 WeakPolarHBondContact O-CG 3.33Å; E960-R964 PolarHBondContact O-N 3.04Å; E960-R964 IonicContact OE2-CZ 2.99Å; E960-R964 IonicContact OE2-NH2 3.06Å; E960-R964 PolarHBondContact OE2-NH2 2.88Å |
| 961 | E | 77.1 | Confident | 66.8 | Low | 94 Ų | 94 | 75.4 Ų | 75.4 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 175.3 | -171.4 | -169.7 | 145.9 | 0 | 0 | 111.1 | K634 R957 I958 R959 R964 S965 | K634-E961 WeakPolarHBondContact CE-OE1 3.24Å; K634-E961 IonicContact NZ-OE1 2.71Å; K634-E961 PolarHBondContact NZ-OE1 2.78Å; R957-E961 WeakPolarHBondContact O-CB 3.39Å; R957-E961 PolarHBondContact O-N 2.86Å; I958-E961 WeakPolarHBondContact O-CB 3.42Å; I958-E961 PolarHBondContact O-N 2.92Å; I958-E961 VanDerWaalsContact O-N 3.17Å; R959-E961 VanDerWaalsContact C-N 3.29Å; R959-E961 PolarHBondContact O-N 3.38Å; E961-R964 PolarHBondContact O-N 2.93Å; E961-S965 VanDerWaalsContact O-CB 3.29Å; E961-S965 WeakPolarHBondContact O-CB 3.47Å; E961-S965 PolarHBondContact O-N 3.42Å; E961-S965 PolarHBondContact O-OG 3.4Å |
| 962 | I | 74 | Confident | 66.6 | Low | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 174.7 | -66 | 167.2 | 0 | 0 | 0 | 110 | F612 K634 V637 K638 I958 R959 R964 S965 A966 W969 | F612-I962 HydrophobicContact CZ-CG2 4.02Å; K634-I962 HydrophobicContact CB-CD1 4.12Å; V637-I962 HydrophobicContact CG1-CD1 4.35Å; K638-I962 HydrophobicContact CG-CD1 3.88Å; K638-I962 HydrophobicContact CG-CG2 4.22Å; I958-I962 HydrophobicContact CG2-CD1 3.85Å; I958-I962 HydrophobicContact CG2-CG1 4.39Å; I958-I962 VanDerWaalsContact O-CG1 3.26Å; I958-I962 WeakPolarHBondContact O-CG1 3.46Å; I958-I962 PolarHBondContact O-N 3.32Å; R959-I962 PolarHBondContact O-N 3.2Å; I962-R964 VanDerWaalsContact C-N 3.3Å; I962-R964 PolarHBondContact O-N 2.85Å; I962-S965 WeakPolarHBondContact CA-OG 3.42Å; I962-S965 CarbonylContact O-C 3.51Å; I962-S965 PolarHBondContact O-N 2.81Å; I962-S965 PolarHBondContact O-OG 3.28Å; I962-S965 VanDerWaalsContact O-OG 3.09Å; I962-A966 PolarHBondContact O-N 3.45Å; I962-W969 HydrophobicContact CB-CE3 4.27Å; I962-W969 HydrophobicContact CB-CZ3 4.41Å; I962-W969 HydrophobicContact CD1-CE3 4.43Å; I962-W969 HydrophobicContact CD1-CH2 4.21Å; I962-W969 HydrophobicContact CD1-CZ3 3.83Å; I962-W969 HydrophobicContact CG1-CD2 4.44Å; I962-W969 HydrophobicContact CG1-CE3 3.78Å; I962-W969 HydrophobicContact CG1-CH2 4.33Å; I962-W969 HydrophobicContact CG1-CZ3 3.69Å; I962-W969 HydrophobicContact CG2-CE3 3.78Å; I962-W969 HydrophobicContact CG2-CZ3 3.88Å |
| 963 | D | 70.6 | Confident | 65.5 | Low | 78 Ų | 78 | 70.6 Ų | 70.6 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.7 | -32.5 | -178.9 | -60.2 | -20 | 0 | 0 | 0 | 111.3 | K638 R959 S965 A966 | K638-D963 IonicContact NZ-OD1 2.66Å; K638-D963 PolarHBondContact NZ-OD1 2.84Å; K638-D963 VanDerWaalsContact NZ-OD1 3.09Å; R959-D963 WeakPolarHBondContact O-CB 3.45Å; R959-D963 PolarHBondContact O-N 3.48Å; D963-S965 VanDerWaalsContact C-N 3.35Å; D963-A966 WeakPolarHBondContact O-CB 3.29Å |
| 964 | R | 69.3 | Low | 63.7 | Low | 192 Ų | 192 | 76.8 Ų | 76.8 | 73% | 0.725 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -73.5 | -24.7 | 171.9 | -76.9 | 178.6 | -167.5 | 156.3 | 17 | 113.9 | E960 E961 I962 | E960-R964 VanDerWaalsContact O-CB 3.25Å; E960-R964 WeakPolarHBondContact O-CB 3.47Å; E960-R964 WeakPolarHBondContact O-CG 3.33Å; E960-R964 PolarHBondContact O-N 3.04Å; E960-R964 IonicContact OE2-CZ 2.99Å; E960-R964 IonicContact OE2-NH2 3.06Å; E960-R964 PolarHBondContact OE2-NH2 2.88Å; E961-R964 PolarHBondContact O-N 2.93Å; I962-R964 VanDerWaalsContact C-N 3.3Å; I962-R964 PolarHBondContact O-N 2.85Å |
| 965 | S | 63.9 | Low | 61.5 | Low | 29 Ų | 29 | 80.4 Ų | 80.4 | 20% | 0.203 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 6.2 | 179 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | E961 I962 D963 G967 V968 W969 | E961-S965 VanDerWaalsContact O-CB 3.29Å; E961-S965 WeakPolarHBondContact O-CB 3.47Å; E961-S965 PolarHBondContact O-N 3.42Å; E961-S965 PolarHBondContact O-OG 3.4Å; I962-S965 WeakPolarHBondContact CA-OG 3.42Å; I962-S965 CarbonylContact O-C 3.51Å; I962-S965 PolarHBondContact O-N 2.81Å; I962-S965 PolarHBondContact O-OG 3.28Å; I962-S965 VanDerWaalsContact O-OG 3.09Å; D963-S965 VanDerWaalsContact C-N 3.35Å; S965-G967 PolarHBondContact O-N 2.98Å; S965-V968 PolarHBondContact O-N 2.86Å; S965-W969 PolarHBondContact O-N 2.82Å; S965-W969 VanDerWaalsContact O-N 3.13Å; S965-W969 VanDerWaalsContact OG-CB 3.29Å; S965-W969 WeakPolarHBondContact OG-CB 3.43Å |
| 966 | A | 54.7 | Low | 59.1 | Low | 53 Ų | 53 | 86.3 Ų | 86.3 | 44% | 0.438 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 99.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I962 D963 | I962-A966 PolarHBondContact O-N 3.45Å; D963-A966 WeakPolarHBondContact O-CB 3.29Å |
| 967 | G | 50.6 | Low | 57 | Low | 75 Ų | 75 | 87 Ų | 87 | 77% | 0.773 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.4 | -29 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S965 | S965-G967 PolarHBondContact O-N 2.98Š|
| 968 | V | 54.1 | Low | 54.9 | Low | 126 Ų | 126 | 84.4 Ų | 84.4 | 76% | 0.764 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -34.5 | -177.7 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | S965 L970 | S965-V968 PolarHBondContact O-N 2.86Å; V968-L970 VanDerWaalsContact C-N 3.33Å; V968-L970 PolarHBondContact O-N 3.36Å |
| 969 | W | 56.6 | Low | 53 | Low | 38 Ų | 38 | 92.9 Ų | 92.9 | 14% | 0.144 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -86.6 | 0.4 | -171 | -171 | 67.8 | 0 | 0 | 0 | 114.9 | L631 K634 I962 S965 | L631-W969 HydrophobicContact CD1-CZ2 3.72Å; K634-W969 HydrophobicContact CB-CH2 3.27Å; K634-W969 HydrophobicContact CB-CZ2 3.17Å; K634-W969 HydrophobicContact CB-CZ3 4.28Å; K634-W969 HydrophobicContact CD-CD2 4.06Å; K634-W969 HydrophobicContact CD-CH2 3.97Å; K634-W969 HydrophobicContact CD-CZ2 3.15Å; K634-W969 VanDerWaalsContact CD-NE1 3.34Å; K634-W969 HydrophobicContact CG-CH2 4.23Å; K634-W969 HydrophobicContact CG-CZ2 3.76Å; I962-W969 HydrophobicContact CB-CE3 4.27Å; I962-W969 HydrophobicContact CB-CZ3 4.41Å; I962-W969 HydrophobicContact CD1-CE3 4.43Å; I962-W969 HydrophobicContact CD1-CH2 4.21Å; I962-W969 HydrophobicContact CD1-CZ3 3.83Å; I962-W969 HydrophobicContact CG1-CD2 4.44Å; I962-W969 HydrophobicContact CG1-CE3 3.78Å; I962-W969 HydrophobicContact CG1-CH2 4.33Å; I962-W969 HydrophobicContact CG1-CZ3 3.69Å; I962-W969 HydrophobicContact CG2-CE3 3.78Å; I962-W969 HydrophobicContact CG2-CZ3 3.88Å; S965-W969 PolarHBondContact O-N 2.82Å; S965-W969 VanDerWaalsContact O-N 3.13Å; S965-W969 VanDerWaalsContact OG-CB 3.29Å; S965-W969 WeakPolarHBondContact OG-CB 3.43Å |
| 970 | L | 55.7 | Low | 51.2 | Low | 29 Ų | 29 | 91.1 Ų | 91.1 | 15% | 0.152 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -115 | 101.5 | 161.7 | -76.8 | 159.5 | 0 | 0 | 0 | 106.7 | F506 F612 V968 L972 | F506-L970 HydrophobicContact CB-CD2 4.27Å; F506-L970 HydrophobicContact CD1-CD2 3.53Å; F506-L970 HydrophobicContact CD2-CD2 4.34Å; F506-L970 HydrophobicContact CE1-CD2 3.87Å; F506-L970 HydrophobicContact CG-CD2 3.79Å; F506-L970 HydrophobicContact CZ-CD2 4.41Å; F612-L970 HydrophobicContact CD1-CD1 4.37Å; F612-L970 HydrophobicContact CD2-CD1 4.24Å; F612-L970 HydrophobicContact CE1-CD1 3.94Å; F612-L970 HydrophobicContact CE2-CD1 3.82Å; F612-L970 HydrophobicContact CZ-CD1 3.65Å; F612-L970 HydrophobicContact CZ-CG 4.48Å; V968-L970 VanDerWaalsContact C-N 3.33Å; V968-L970 PolarHBondContact O-N 3.36Å; L970-L972 HydrophobicContact CB-CD2 4.35Å; L970-L972 HydrophobicContact CB-CG 4Å; L970-L972 PolarHBondContact O-N 3.25Å |
| 971 | P | 44.8 | Very low | 49.7 | Very low | 29 Ų | 29 | 90 Ų | 90 | 19% | 0.188 | 48% | 0.476 | C | S | . | . | trans | -70 | 80.5 | 167.3 | 1.2 | 15.1 | 0 | 0 | 0 | 106.8 | N501 L973 | N501-P971 HydrophobicContact CB-CB 3.71Å; N501-P971 HydrophobicContact CB-CG 3.99Å; N501-P971 WeakPolarHBondContact OD1-CB 3.41Å; N501-P971 WeakPolarHBondContact OD1-CG 3.45Å; P971-L973 PolarHBondContact O-N 2.74Å | ||
| 972 | L | 45.8 | Very low | 48.2 | Very low | 72 Ų | 72 | 87.2 Ų | 87.2 | 38% | 0.377 | 47% | 0.466 | S | S | . | . | trans | -71.3 | 102.1 | 175.7 | -68.7 | 169 | 0 | 0 | 0 | 107 | F506 Y508 L970 R974 | F506-L972 HydrophobicContact CB-CD2 4.5Å; Y508-L972 HydrophobicContact CD2-CD2 4.46Å; Y508-L972 HydrophobicContact CE2-CD1 4.12Å; Y508-L972 HydrophobicContact CE2-CD2 3.61Å; Y508-L972 HydrophobicContact CE2-CG 4.41Å; Y508-L972 WeakPolarHBondContact OH-CD1 3.41Å; L970-L972 HydrophobicContact CB-CD2 4.35Å; L970-L972 HydrophobicContact CB-CG 4Å; L970-L972 PolarHBondContact O-N 3.25Å; L972-R974 PolarHBondContact O-N 2.86Å; L972-R974 VanDerWaalsContact O-N 3.12Å | ||
| 973 | L | 35 | Very low | 46.6 | Very low | 115 Ų | 115 | 95.9 Ų | 95.9 | 60% | 0.602 | 50% | 0.499 | S | S | * | . | trans | -65.4 | 107.6 | 165.2 | -85.5 | 149.4 | 0 | 0 | 0 | 107.6 | Q505 P971 Y975 | Q505-L973 HydrophobicContact CG-CD1 4.06Å; P971-L973 PolarHBondContact O-N 2.74Å; L973-Y975 PolarHBondContact O-N 3.41Å | ||
| 974 | R | 33.2 | Very low | 45.4 | Very low | 227 Ų | 227 | 97 Ų | 97 | 86% | 0.857 | 51% | 0.505 | S | S | * | . | trans | -74.1 | 121.7 | 166.1 | -80.2 | -174.9 | -170.2 | -171.8 | 3.1 | 108.7 | L972 | L972-R974 PolarHBondContact O-N 2.86Å; L972-R974 VanDerWaalsContact O-N 3.12Å | ||
| 975 | Y | 31 | Very low | 44.3 | Very low | 107 Ų | 107 | 89.5 Ų | 89.5 | 42% | 0.42 | 48% | 0.479 | S | S | . | . | S | Bend | trans | 30.9 | 90.1 | 153.6 | -86.8 | -89.2 | 0 | 0 | 0 | 116.7 | D511 V519 L973 | D511-Y975 PolarHBondContact OD1-OH 2.83Å; V519-Y975 HydrophobicContact CG1-CE1 4Å; L973-Y975 PolarHBondContact O-N 3.41Å |
| 976 | D | 30.2 | Very low | 43.5 | Very low | 154 Ų | 154 | 94.1 Ų | 94.1 | 82% | 0.824 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -149.6 | 1.9 | 155.5 | -101 | -25.2 | 0 | 0 | 0 | 116.2 | ||
| 977 | S | 34.9 | Very low | 42.6 | Very low | 82 Ų | 82 | 97.3 Ų | 97.3 | 57% | 0.573 | 50% | 0.501 | S | S | * | . | trans | -161.2 | 72.6 | 179.1 | 31.5 | 0 | 0 | 0 | 0 | 115.6 | Q979 A980 | S977-Q979 PolarHBondContact O-N 2.84Å; S977-Q979 VanDerWaalsContact O-N 3.11Å; S977-A980 WeakPolarHBondContact O-CB 3.42Å; S977-A980 PolarHBondContact O-N 3.35Å | ||
| 978 | L | 36.8 | Very low | 41.8 | Very low | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -60.2 | -13.1 | 163.4 | -94.9 | 159.1 | 0 | 0 | 0 | 113.2 | A980 L981 | L978-A980 VanDerWaalsContact C-N 3.34Å; L978-L981 HydrophobicContact CD2-CD1 4.05Å |
| 979 | Q | 39.1 | Very low | 40.7 | Very low | 201 Ų | 201 | 97.8 Ų | 97.8 | 94% | 0.939 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -82.8 | -5.6 | 171.5 | -71.7 | -179.8 | -12 | 0 | 0 | 113.9 | S977 | S977-Q979 PolarHBondContact O-N 2.84Å; S977-Q979 VanDerWaalsContact O-N 3.11Å |
| 980 | A | 42.2 | Very low | 39.4 | Very low | 57 Ų | 57 | 101.5 Ų | 101.5 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -102.1 | 2.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S977 L978 P982 | S977-A980 WeakPolarHBondContact O-CB 3.42Å; S977-A980 PolarHBondContact O-N 3.35Å; L978-A980 VanDerWaalsContact C-N 3.34Å; A980-P982 WeakPolarHBondContact O-CD 3.41Å |
| 981 | L | 44.4 | Very low | 38.2 | Very low | 33 Ų | 33 | 105.8 Ų | 105.8 | 17% | 0.173 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -61.9 | 125.2 | 167.7 | -88.6 | 152.1 | 0 | 0 | 0 | 108.3 | L512 L978 R983 L985 | L512-L981 HydrophobicContact CD2-CD1 3.94Å; L978-L981 HydrophobicContact CD2-CD1 4.05Å; L981-R983 PolarHBondContact O-N 2.86Å; L981-L985 HydrophobicContact CD2-CD1 3.94Å |
| 982 | P | 45.7 | Very low | 37.4 | Very low | 37 Ų | 37 | 112.6 Ų | 112.6 | 24% | 0.24 | 58% | 0.583 | C | S | . | * | trans | -52.5 | 128.5 | 174.5 | -23.2 | 30.6 | 0 | 0 | 0 | 109.1 | A980 D984 L985 | A980-P982 WeakPolarHBondContact O-CD 3.41Å; P982-D984 HydrophobicContact CB-CB 3.92Å; P982-D984 PolarHBondContact O-N 3.19Å; P982-L985 HydrophobicContact CB-CD1 4.41Å; P982-L985 HydrophobicContact CG-CD1 4.16Å; P982-L985 WeakPolarHBondContact O-CB 3.34Å; P982-L985 PolarHBondContact O-N 3.44Å | ||
| 983 | R | 39.5 | Very low | 36.6 | Very low | 184 Ų | 184 | 116 Ų | 116 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -55.1 | -24.5 | 171 | -69 | -174.1 | -168.2 | -155.7 | 3.2 | 111 | L981 L985 F986 E987 | L981-R983 PolarHBondContact O-N 2.86Å; R983-L985 PolarHBondContact O-N 3.48Å; R983-L985 VanDerWaalsContact O-N 3.09Å; R983-F986 CarbonylContact O-C 3.56Å; R983-F986 WeakPolarHBondContact O-CA 3.36Å; R983-F986 PolarHBondContact O-N 3.1Å; R983-E987 HydrophobicContact CB-CG 4.39Å; R983-E987 PolarHBondContact O-N 3.37Å |
| 984 | D | 46.4 | Very low | 36.3 | Very low | 102 Ų | 102 | 116 Ų | 116 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -54.1 | -21.5 | 170.9 | -48.9 | 17.8 | 0 | 0 | 0 | 115.2 | P982 F986 | P982-D984 HydrophobicContact CB-CB 3.92Å; P982-D984 PolarHBondContact O-N 3.19Å; D984-F986 VanDerWaalsContact C-N 3.26Å |
| 985 | L | 45.7 | Very low | 36.1 | Very low | 34 Ų | 34 | 113.1 Ų | 113.1 | 18% | 0.178 | 61% | 0.609 | C | S | . | * | G | 310 helix | trans | -76.6 | -14.7 | 171.8 | -96.8 | 125.4 | 0 | 0 | 0 | 112.8 | H429 I430 T453 L981 P982 R983 | H429-L985 PolarHBondContact NE2-O 3.12Å; H429-L985 VanDerWaalsContact NE2-O 3.13Å; I430-L985 HydrophobicContact CG2-CD2 4.32Å; T453-L985 HydrophobicContact CG2-CD1 4.32Å; L981-L985 HydrophobicContact CD2-CD1 3.94Å; P982-L985 HydrophobicContact CB-CD1 4.41Å; P982-L985 HydrophobicContact CG-CD1 4.16Å; P982-L985 WeakPolarHBondContact O-CB 3.34Å; P982-L985 PolarHBondContact O-N 3.44Å; R983-L985 PolarHBondContact O-N 3.48Å; R983-L985 VanDerWaalsContact O-N 3.09Å |
| 986 | F | 46.6 | Very low | 35.9 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 55% | 0.553 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | -16.1 | -176 | -60.2 | -78.2 | 0 | 0 | 0 | 113.8 | L512 R983 D984 | L512-F986 HydrophobicContact CD2-CZ 3.89Å; R983-F986 CarbonylContact O-C 3.56Å; R983-F986 WeakPolarHBondContact O-CA 3.36Å; R983-F986 PolarHBondContact O-N 3.1Å; D984-F986 VanDerWaalsContact C-N 3.26Å |
| 987 | E | 36.9 | Very low | 35.7 | Very low | 119 Ų | 119 | 118.4 Ų | 118.4 | 56% | 0.556 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -99.8 | 127.2 | -178.3 | -73.9 | 179.5 | -177.8 | 0 | 0 | 112.5 | R983 G989 | R983-E987 HydrophobicContact CB-CG 4.39Å; R983-E987 PolarHBondContact O-N 3.37Å; E987-G989 PolarHBondContact O-N 3.04Å |
| 988 | D | 34.2 | Very low | 35.4 | Very low | 142 Ų | 142 | 118 Ų | 118 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | trans | -68.7 | 92.6 | 169 | -70.3 | -45.5 | 0 | 0 | 0 | 109.5 | R644 D990 | R644-D988 IonicContact NH2-OD1 2.67Å; D988-D990 PolarHBondContact O-N 2.96Å; D988-D990 VanDerWaalsContact O-N 3.17Å | ||
| 989 | G | 30.9 | Very low | 35 | Very low | 69 Ų | 69 | 119.5 Ų | 119.5 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | trans | -73.6 | 104.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E987 | E987-G989 PolarHBondContact O-N 3.04Š| ||
| 990 | D | 28.3 | Very low | 34.4 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | trans | -167.9 | 54.2 | 151.8 | -122.5 | 27.4 | 0 | 0 | 0 | 114.1 | R158 D988 | R158-D990 IonicContact CZ-OD2 3.87Å; R158-D990 IonicContact NH2-OD2 3.73Å; R158-D990 PolarHBondContact NH2-OD2 3.49Å; D988-D990 PolarHBondContact O-N 2.96Å; D988-D990 VanDerWaalsContact O-N 3.17Å | ||
| 991 | V | 31 | Very low | 33.5 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.715 | 68% | 0.679 | S | S | * | * | trans | -145.8 | 93.7 | 157.8 | -169.2 | 0 | 0 | 0 | 0 | 110.8 | L993 | V991-L993 HydrophobicContact CG1-CD1 3.9Å; V991-L993 HydrophobicContact CG1-CG 3.85Å; V991-L993 PolarHBondContact O-N 3.19Å; V991-L993 VanDerWaalsContact O-N 3.07Å | ||
| 992 | D | 28.5 | Very low | 32.8 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 92% | 0.92 | 71% | 0.712 | S | S | * | * | trans | -68.6 | 95.8 | 156.4 | -77.3 | -35 | 0 | 0 | 0 | 108.2 | ||||
| 993 | L | 27.3 | Very low | 31.9 | Very low | 145 Ų | 145 | 137 Ų | 137 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -82.3 | 126.2 | 161.4 | -92.8 | 146 | 0 | 0 | 0 | 107.6 | V991 D995 | V991-L993 HydrophobicContact CG1-CD1 3.9Å; V991-L993 HydrophobicContact CG1-CG 3.85Å; V991-L993 PolarHBondContact O-N 3.19Å; V991-L993 VanDerWaalsContact O-N 3.07Å; L993-D995 PolarHBondContact O-N 2.9Å | ||
| 994 | P | 30 | Very low | 31.2 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 73% | 0.734 | S | S | * | * | trans | -66.9 | 134.5 | -179.7 | 26.9 | -32.4 | 0 | 0 | 0 | 110.6 | R996 | P994-R996 PolarHBondContact O-N 3.22Å; P994-R996 VanDerWaalsContact O-N 3.15Å | ||
| 995 | D | 27.9 | Very low | 30.3 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | trans | -43 | 114.9 | 172.2 | -81.9 | -42.1 | 0 | 0 | 0 | 112 | L993 | L993-D995 PolarHBondContact O-N 2.9Š| ||
| 996 | R | 26.7 | Very low | 29.6 | Very low | 243 Ų | 243 | 140.6 Ų | 140.6 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -96.2 | 117.4 | 158.4 | -91.2 | -172 | 175.9 | -176.6 | 0.9 | 108.8 | P994 | P994-R996 PolarHBondContact O-N 3.22Å; P994-R996 VanDerWaalsContact O-N 3.15Å | ||
| 997 | P | 27.2 | Very low | 28.7 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -79.2 | 128.3 | 171.2 | 31.5 | -29 | 0 | 0 | 0 | 109.3 | ||||
| 998 | G | 28.3 | Very low | 28.1 | Very low | 73 Ų | 73 | 143 Ų | 143 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 137.2 | 68.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R1000 | G998-R1000 PolarHBondContact O-N 2.84Š| ||
| 999 | S | 28.2 | Very low | 27.9 | Very low | 128 Ų | 128 | 143 Ų | 143 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -75.6 | 94.4 | 158.3 | 46.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1000 | R | 26.5 | Very low | 27.9 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 124.7 | 158 | -88.8 | -176.3 | 176.4 | 170.2 | -0.1 | 108.6 | G998 L1002 | G998-R1000 PolarHBondContact O-N 2.84Å; R1000-L1002 PolarHBondContact O-N 2.85Å | ||
| 1001 | Q | 24.4 | Very low | 27.8 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -48.3 | 129.5 | 164.9 | -67 | 168.4 | -36.7 | 0 | 0 | 110.6 | ||||
| 1002 | L | 27.9 | Very low | 27.8 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -138.7 | 120 | 148 | -111.4 | 122.4 | 0 | 0 | 0 | 109.1 | R1000 | R1000-L1002 PolarHBondContact O-N 2.85Š| ||
| 1003 | S | 27.5 | Very low | 27.9 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | -60.8 | 149 | 179.6 | 43.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1004 | S | 25.1 | Very low | 27.8 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | trans | 22.3 | 149.6 | 138.7 | 67.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1005 | E | 27.1 | Very low | 27.7 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | 89.8 | 111.4 | 173 | -53.3 | -178.9 | 169.1 | 0 | 0 | 110.9 | ||||
| 1006 | V | 30.1 | Very low | 27.6 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | -172.6 | 145.5 | 78.5 | 153.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1007 | F | 28.3 | Very low | 27.7 | Very low | 191 Ų | 191 | 137.6 Ų | 137.6 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | 86.2 | 70.3 | 171 | -75.2 | -65.1 | 0 | 0 | 0 | 119.9 | ||||
| 1008 | S | 24.5 | Very low | 27.6 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -76.5 | 131.5 | 134.5 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1009 | N | 29.7 | Very low | 27.6 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | 175.2 | 99.2 | 142.8 | -91.2 | -12.7 | 0 | 0 | 0 | 109.8 | ||||
| 1010 | T | 31.4 | Very low | 27.6 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | -178.7 | 93.3 | 128.5 | 20.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1011 | D | 25.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -60.6 | 150.6 | 159.4 | -73.5 | -48.3 | 0 | 0 | 0 | 110.3 | ||||
| 1012 | I | 32.4 | Very low | 27.8 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | 173.8 | 124.3 | 125.2 | -82.1 | 150.2 | 0 | 0 | 0 | 108.8 | |||||
| 1013 | G | 29.4 | Very low | 27.8 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 105.1 | 80.9 | 141.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1014 | V | 25.4 | Very low | 27.9 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -68.2 | 133.4 | 154.2 | 172.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1015 | D | 28.1 | Very low | 27.9 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -144.4 | 123.3 | 148.5 | -125.9 | -11 | 0 | 0 | 0 | 111.3 | ||||
| 1016 | S | 26.6 | Very low | 28 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -92.2 | 120.2 | 179.3 | 49.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1017 | G | 28.8 | Very low | 27.8 | Very low | 79 Ų | 79 | 149.4 Ų | 149.4 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | -128.1 | 104.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1018 | Q | 24 | Very low | 28 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -71.1 | 133.9 | 159 | -72.7 | 174.8 | -34.3 | 0 | 0 | 109.2 | ||||
| 1019 | S | 29 | Very low | 28.2 | Very low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | trans | -174.9 | 126.3 | 133.3 | -119.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1020 | E | 27.1 | Very low | 28.3 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | trans | 57.6 | 106.3 | 132.6 | -70 | 167.1 | 138.3 | 0 | 0 | 121.6 | ||||
| 1021 | V | 26.7 | Very low | 28.1 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | 16.9 | 117.4 | 119.1 | -175 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1022 | T | 30.2 | Very low | 28.5 | Very low | 143 Ų | 143 | 146.6 Ų | 146.6 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -157.1 | 124.4 | 132.6 | 29.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1023 | D | 26.1 | Very low | 28.3 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -72.8 | 131.9 | 172.9 | -167.1 | 3.3 | 0 | 0 | 0 | 110.1 | ||||
| 1024 | R | 30 | Very low | 28.4 | Very low | 248 Ų | 248 | 144.8 Ų | 144.8 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -141.9 | 99.1 | 164.7 | -95 | -167 | -179.7 | -172.3 | 1.2 | 110.8 | ||||
| 1025 | R | 25.7 | Very low | 28.4 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -38.8 | 146.5 | 156 | -62.6 | 172.3 | 176.2 | 175.9 | -2.1 | 113 | ||||
| 1026 | Q | 30.1 | Very low | 28.5 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | 167.4 | 120.3 | 105.7 | -89.6 | 178.2 | -16.4 | 0 | 0 | 111.5 | |||||
| 1027 | L | 25.3 | Very low | 28.6 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 160.5 | 163.2 | -78.7 | 138.8 | 0 | 0 | 0 | 111.6 | ||||
| 1028 | P | 32.4 | Very low | 28.7 | Very low | 126 Ų | 126 | 151 Ų | 151 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -107 | 117.3 | 142.1 | 28.3 | -14.5 | 0 | 0 | 0 | 110.4 | ||||
| 1029 | H | 28.2 | Very low | 29.1 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -72.4 | 134.3 | 160.5 | -84.2 | -79.5 | 0 | 0 | 0 | 109.6 | ||||
| 1030 | S | 31.1 | Very low | 28.9 | Very low | 118 Ų | 118 | 154 Ų | 154 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -130.3 | 106 | 154.2 | 64.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1031 | S | 29.1 | Very low | 29 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -74.3 | 137.7 | 173.6 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1032 | T | 32.9 | Very low | 29.1 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -148.4 | 106 | 143.5 | 40.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1033 | D | 28.2 | Very low | 28.9 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -55.8 | 148.8 | 163 | -79.8 | -39.3 | 0 | 0 | 0 | 111.5 | ||||
| 1034 | G | 30.6 | Very low | 29.1 | Very low | 70 Ų | 70 | 154.8 Ų | 154.8 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -175.6 | 67.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1035 | D | 25.9 | Very low | 28.8 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -44.4 | 135.4 | 149.4 | -77.4 | -44 | 0 | 0 | 0 | 109.4 | ||||
| 1036 | I | 31 | Very low | 29 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -177.4 | 118.7 | 147.9 | -87.6 | 141.3 | 0 | 0 | 0 | 110.6 | ||||
| 1037 | Y | 28.7 | Very low | 28.8 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -6.1 | 146.7 | 149.1 | -65.2 | -92.5 | 0 | 0 | 0 | 119.7 | H1039 | Y1037-H1039 PolarHBondContact O-N 3.24Š| ||
| 1038 | P | 31.2 | Very low | 29.1 | Very low | 131 Ų | 131 | 141 Ų | 141 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -77 | 95 | 174.7 | 33.2 | -30.6 | 0 | 0 | 0 | 109.8 | ||||
| 1039 | H | 31 | Very low | 28.7 | Very low | 161 Ų | 161 | 144 Ų | 144 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | -96.2 | 129 | 169.6 | -97.4 | -82.1 | 0 | 0 | 0 | 112.2 | Y1037 | Y1037-H1039 PolarHBondContact O-N 3.24Š| ||
| 1040 | K | 25.9 | Very low | 28.7 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -36.3 | 131 | 163.9 | -77.1 | 166.3 | 164 | 175.9 | 0 | 114 | ||||
| 1041 | V | 29 | Very low | 28.3 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -145.9 | 98.4 | 154.9 | -176 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1042 | V | 29.3 | Very low | 28.3 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 72% | 0.715 | 82% | 0.816 | S | S | * | * | 55.1 | 101.4 | 83 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | K1044 | V1042-K1044 PolarHBondContact O-N 3.12Š| |||
| 1043 | D | 25.4 | Very low | 28.1 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -43.8 | 123.1 | 162.9 | -70.5 | -50.2 | 0 | 0 | 0 | 111.2 | ||||
| 1044 | K | 29.1 | Very low | 28 | Very low | 190 Ų | 190 | 153.5 Ų | 153.5 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -143.6 | 111.2 | 145.8 | -97.4 | -174.4 | -177.3 | 179.1 | 0 | 109.4 | V1042 | V1042-K1044 PolarHBondContact O-N 3.12Š| ||
| 1045 | S | 25.8 | Very low | 28 | Very low | 118 Ų | 118 | 157.8 Ų | 157.8 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -26.7 | 126.3 | 154 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1046 | S | 29.4 | Very low | 28.2 | Very low | 113 Ų | 113 | 159.2 Ų | 159.2 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | -140.7 | 98.9 | 144.3 | 52.1 | 0 | 0 | 0 | 0 | 107.5 | N1048 | S1046-N1048 PolarHBondContact O-N 2.97Š| ||
| 1047 | S | 25.8 | Very low | 28.2 | Very low | 108 Ų | 108 | 162.9 Ų | 162.9 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | -39.3 | 126 | 156.5 | 45.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1048 | N | 30.8 | Very low | 28.4 | Very low | 164 Ų | 164 | 159.2 Ų | 159.2 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -143.1 | 133.1 | 140.5 | -99.4 | -15.9 | 0 | 0 | 0 | 109.6 | S1046 | S1046-N1048 PolarHBondContact O-N 2.97Š| ||
| 1049 | Q | 24.8 | Very low | 28.5 | Very low | 188 Ų | 188 | 159 Ų | 159 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -65.3 | 134.4 | -171.2 | -68.4 | 160.9 | -35.4 | 0 | 0 | 111.3 | ||||
| 1050 | M | 27.6 | Very low | 28.5 | Very low | 189 Ų | 189 | 157.3 Ų | 157.3 | 93% | 0.931 | 83% | 0.827 | S | S | * | * | trans | -150.2 | 114.9 | 138.9 | -126.7 | 171.1 | -178.3 | 0 | 0 | 109.4 | ||||
| 1051 | R | 23.1 | Very low | 28.9 | Very low | 241 Ų | 241 | 154.3 Ų | 154.3 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -57.3 | 131.4 | 173 | -73.6 | 171.3 | 173.1 | 163.6 | -3.1 | 109.5 | ||||
| 1052 | V | 30 | Very low | 29.1 | Very low | 145 Ų | 145 | 156 Ų | 156 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -135.8 | 128.3 | 150 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1053 | N | 28.5 | Very low | 29.3 | Very low | 144 Ų | 144 | 158.1 Ų | 158.1 | 77% | 0.77 | 84% | 0.836 | S | S | * | * | trans | -47.9 | 134.8 | -168.2 | -74 | -29.9 | 0 | 0 | 0 | 115.8 | ||||
| 1054 | E | 24.8 | Very low | 29.7 | Very low | 170 Ų | 170 | 153.4 Ų | 153.4 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -57.4 | 126.9 | 148.8 | -67.6 | 174.1 | 141.2 | 0 | 0 | 109.1 | ||||
| 1055 | N | 30.7 | Very low | 29.9 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -133 | 107.7 | 150.4 | -98.2 | -18.4 | 0 | 0 | 0 | 108.6 | ||||
| 1056 | Q | 30.9 | Very low | 30.2 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 135.9 | 179.1 | -70.5 | 163.1 | -31.5 | 0 | 0 | 110.6 | ||
| 1057 | Y | 31.7 | Very low | 30.4 | Very low | 229 Ų | 229 | 153 Ų | 153 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 125.5 | 151.4 | -79.4 | -83.7 | 0 | 0 | 0 | 108.3 | ||
| 1058 | P | 33 | Very low | 30.8 | Very low | 119 Ų | 119 | 156.6 Ų | 156.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 125.5 | 178.1 | 32.5 | -29.1 | 0 | 0 | 0 | 110.5 | ||
| 1059 | T | 32.4 | Very low | 31.1 | Very low | 126 Ų | 126 | 154.2 Ų | 154.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134.2 | 161.7 | 39.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1060 | P | 31 | Very low | 31.6 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 121.9 | 175.3 | 33.1 | -28.3 | 0 | 0 | 0 | 110.1 | ||
| 1061 | T | 35.1 | Very low | 32 | Very low | 130 Ų | 130 | 152.3 Ų | 152.3 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -120.6 | 118.7 | 159.4 | 45.3 | 0 | 0 | 0 | 0 | 108.6 | D1063 | T1061-D1063 PolarHBondContact O-N 3.03Š| ||
| 1062 | L | 31.8 | Very low | 32.7 | Very low | 169 Ų | 169 | 152 Ų | 152 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -39.7 | 129.2 | 160.6 | -86.6 | 75.2 | 0 | 0 | 0 | 110.3 | ||||
| 1063 | D | 34 | Very low | 32.9 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | 178.5 | 150.5 | 102.9 | -136.7 | -18.4 | 0 | 0 | 0 | 111 | T1061 | T1061-D1063 PolarHBondContact O-N 3.03Š| |||
| 1064 | G | 34.6 | Very low | 33.1 | Very low | 63 Ų | 63 | 152.8 Ų | 152.8 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | trans | 90.9 | 75.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1065 | S | 31.9 | Very low | 33.6 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | 47.9 | 133.5 | 122.9 | -109.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1066 | L | 32.9 | Very low | 33.7 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | 95.1 | 94.4 | 144.6 | -71.7 | 149.6 | 0 | 0 | 0 | 119.8 | ||||
| 1067 | K | 33.8 | Very low | 33.9 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 73% | 0.726 | 81% | 0.809 | S | S | * | * | 78.8 | 120.8 | 120 | -85.2 | 179.5 | -171.3 | 168.5 | 0 | 120 | |||||
| 1068 | K | 33.6 | Very low | 34.1 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | 74.5 | 143.3 | 129.6 | -82.5 | -169.3 | 173.3 | -175.3 | 0 | 116.4 | |||||
| 1069 | V | 36.5 | Very low | 34.1 | Very low | 114 Ų | 114 | 147 Ų | 147 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | -177.8 | 137.1 | -10.1 | 113.5 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 1070 | V | 35.4 | Very low | 34.3 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | 63.9 | 120.2 | 144.4 | 177.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1071 | R | 35.6 | Very low | 34.5 | Very low | 223 Ų | 223 | 150.4 Ų | 150.4 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | 171.5 | 111.6 | 92.1 | -135.7 | 157.5 | -159.5 | -177.8 | 2.6 | 112.4 | |||||
| 1072 | N | 39.4 | Very low | 34.5 | Very low | 234 Ų | 234 | 152.3 Ų | 152.3 | 100% | 1.251 | 81% | 0.808 | S | S | * | * | trans | 138.3 | 0 | 146.4 | -81.8 | 2.4 | 0 | 0 | 0 | 111.3 |
Retrieved 1,072 of 1,072 residues in 1374 ms
(Link to these results)