| 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 | 81.9 | Confident | 90 | Very high | 120 Ų | 120 | 61 Ų | 61 | 59% | 0.591 | 33% | 0.328 | S | S | * | . | 0 | 134 | 0 | -70.2 | -171.1 | -82.5 | 0 | 0 | 109.6 | R8 | M1-R8 PolarHBondContact O-NH1 3.32Å; M1-R8 HydrophobicContact SD-CG 4.36Å | |||
| 2 | V | 85.6 | Confident | 90.1 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 17% | 0.17 | 33% | 0.332 | C | S | . | . | trans | -114 | 142.7 | 179.3 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | Y315 D319 H322 I323 I326 | V2-Y315 WeakPolarHBondContact O-CE1 3.31Å; V2-D319 HydrophobicContact CG1-CB 4.41Å; V2-H322 HydrophobicContact CG1-CB 3.72Å; V2-H322 HydrophobicContact CG2-CB 4.35Å; V2-I323 HydrophobicContact CB-CG1 3.87Å; V2-I323 HydrophobicContact CG1-CG1 4.25Å; V2-I323 HydrophobicContact CG2-CG1 4.35Å; V2-I326 HydrophobicContact CG2-CD1 3.26Å | ||
| 3 | G | 87.6 | Confident | 90.3 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 64.4 | -158.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L5 R8 D319 | G3-L5 PolarHBondContact O-N 3.34Å; G3-R8 WeakPolarHBondContact O-CD 3.25Å; G3-D319 WeakPolarHBondContact CA-OD1 3.37Å |
| 4 | Q | 87.9 | Confident | 90.2 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.075 | 32% | 0.317 | C | S | . | . | trans | 51.3 | 49.8 | 176.1 | -157.1 | 74.8 | -79.9 | 0 | 0 | 114.8 | A6 A7 R8 S36 I41 Q313 Y315 | Q4-A6 VanDerWaalsContact C-N 3.34Å; Q4-A6 PolarHBondContact O-N 3.03Å; Q4-A7 HydrophobicContact CG-CB 3.45Å; Q4-A7 VanDerWaalsContact CG-CB 3.45Å; Q4-A7 PolarHBondContact O-N 2.93Å; Q4-R8 WeakPolarHBondContact O-CB 3.46Å; Q4-R8 VanDerWaalsContact O-CG 3.27Å; Q4-R8 WeakPolarHBondContact O-CG 3.2Å; Q4-R8 PolarHBondContact O-N 3.44Å; Q4-S36 PolarHBondContact NE2-O 2.92Å; Q4-I41 HydrophobicContact CG-CD1 4.13Å; Q4-Q313 PolarHBondContact NE2-O 3.49Å; Q4-Q313 VanDerWaalsContact OE1-N 3.13Å; Q4-Y315 HydrophobicContact CB-CE1 4.24Å | ||
| 5 | L | 91.3 | Very high | 90.1 | Very high | 137 Ų | 137 | 53.3 Ų | 53.3 | 72% | 0.717 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.5 | -43.9 | -174.9 | -61.2 | 177.6 | 0 | 0 | 0 | 112.8 | G3 R8 K9 | G3-L5 PolarHBondContact O-N 3.34Å; L5-R8 PolarHBondContact O-N 3.06Å; L5-K9 WeakPolarHBondContact O-CB 3.29Å; L5-K9 PolarHBondContact O-N 3.25Å |
| 6 | A | 92.2 | Very high | 90 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -49.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q4 R8 K9 A10 | Q4-A6 VanDerWaalsContact C-N 3.34Å; Q4-A6 PolarHBondContact O-N 3.03Å; A6-R8 PolarHBondContact O-N 3.28Å; A6-K9 PolarHBondContact O-N 2.98Å; A6-A10 PolarHBondContact O-N 2.78Å |
| 7 | A | 92.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.4 | -33.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q4 A10 A11 I41 I310 | Q4-A7 HydrophobicContact CG-CB 3.45Å; Q4-A7 VanDerWaalsContact CG-CB 3.45Å; Q4-A7 PolarHBondContact O-N 2.93Å; A7-A10 PolarHBondContact O-N 3.2Å; A7-A11 VanDerWaalsContact O-CB 3.24Å; A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 2.86Å; A7-I41 HydrophobicContact CB-CD1 3.73Å; A7-I310 HydrophobicContact CB-CG2 3.7Å |
| 8 | R | 92.5 | Very high | 89.5 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 173.9 | -73.3 | 174.5 | 64.4 | -165.8 | -2.5 | 112.2 | M1 G3 Q4 L5 A6 A11 A12 | M1-R8 PolarHBondContact O-NH1 3.32Å; M1-R8 HydrophobicContact SD-CG 4.36Å; G3-R8 WeakPolarHBondContact O-CD 3.25Å; Q4-R8 WeakPolarHBondContact O-CB 3.46Å; Q4-R8 VanDerWaalsContact O-CG 3.27Å; Q4-R8 WeakPolarHBondContact O-CG 3.2Å; Q4-R8 PolarHBondContact O-N 3.44Å; L5-R8 PolarHBondContact O-N 3.06Å; A6-R8 PolarHBondContact O-N 3.28Å; R8-A11 PolarHBondContact O-N 3.42Å; R8-A12 WeakPolarHBondContact O-CB 3.41Å; R8-A12 PolarHBondContact O-N 2.94Å |
| 9 | K | 93.4 | Very high | 89.2 | Confident | 160 Ų | 160 | 60.3 Ų | 60.3 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 175.5 | -171.5 | 175.9 | -179.2 | 179.9 | 0 | 110.8 | L5 A6 A12 V13 | L5-K9 WeakPolarHBondContact O-CB 3.29Å; L5-K9 PolarHBondContact O-N 3.25Å; A6-K9 PolarHBondContact O-N 2.98Å; K9-A12 PolarHBondContact O-N 2.71Å; K9-V13 WeakPolarHBondContact O-CG2 3.44Å; K9-V13 PolarHBondContact O-N 3.39Å; K9-V13 VanDerWaalsContact O-N 3.1Å |
| 10 | A | 93.2 | Very high | 88.9 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 28% | 0.281 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A6 A7 A12 V13 V14 I310 | A6-A10 PolarHBondContact O-N 2.78Å; A7-A10 PolarHBondContact O-N 3.2Å; A10-A12 VanDerWaalsContact C-N 3.33Å; A10-A12 PolarHBondContact O-N 3.14Å; A10-V13 WeakPolarHBondContact O-CB 3.41Å; A10-V13 PolarHBondContact O-N 2.99Å; A10-V14 WeakPolarHBondContact O-CG2 3.37Å; A10-V14 PolarHBondContact O-N 3.24Å; A10-I310 HydrophobicContact CB-CD1 3.87Å; A10-I310 HydrophobicContact CB-CG1 4Å; A10-I310 HydrophobicContact CB-CG2 3.93Å |
| 11 | A | 91.9 | Very high | 88.3 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 5% | 0.05 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A7 R8 V13 V14 V15 I41 M45 | A7-A11 VanDerWaalsContact O-CB 3.24Å; A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 2.86Å; R8-A11 PolarHBondContact O-N 3.42Å; A11-V13 VanDerWaalsContact C-N 3.34Å; A11-V13 PolarHBondContact O-N 3.34Å; A11-V14 WeakPolarHBondContact O-CB 3.27Å; A11-V14 PolarHBondContact O-N 3.32Å; A11-V15 WeakPolarHBondContact O-CG2 3.49Å; A11-V15 PolarHBondContact O-N 2.86Å; A11-I41 HydrophobicContact CB-CG2 3.64Å; A11-M45 HydrophobicContact CB-CG 3.78Å; A11-M45 HydrophobicContact CB-SD 3.78Å |
| 12 | A | 91.7 | Very high | 88 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R8 K9 A10 V15 K16 | R8-A12 WeakPolarHBondContact O-CB 3.41Å; R8-A12 PolarHBondContact O-N 2.94Å; K9-A12 PolarHBondContact O-N 2.71Å; A10-A12 VanDerWaalsContact C-N 3.33Å; A10-A12 PolarHBondContact O-N 3.14Å; A12-V15 PolarHBondContact O-N 3.17Å; A12-K16 WeakPolarHBondContact O-CG 3.5Å; A12-K16 PolarHBondContact O-N 3.04Å; A12-K16 VanDerWaalsContact O-N 3.11Å |
| 13 | V | 92 | Very high | 87.4 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 173.2 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | K9 A10 A11 V15 K16 M17 | K9-V13 WeakPolarHBondContact O-CG2 3.44Å; K9-V13 PolarHBondContact O-N 3.39Å; K9-V13 VanDerWaalsContact O-N 3.1Å; A10-V13 WeakPolarHBondContact O-CB 3.41Å; A10-V13 PolarHBondContact O-N 2.99Å; A11-V13 VanDerWaalsContact C-N 3.34Å; A11-V13 PolarHBondContact O-N 3.34Å; V13-V15 PolarHBondContact O-N 3.02Å; V13-K16 PolarHBondContact O-N 3.36Å; V13-M17 HydrophobicContact CG1-CE 3.65Å; V13-M17 HydrophobicContact CG1-SD 4.21Å; V13-M17 WeakPolarHBondContact O-CG 3.5Å; V13-M17 PolarHBondContact O-N 3.39Å |
| 14 | V | 89.6 | Confident | 86.4 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | A10 A11 K16 M17 I18 L23 V28 M45 I310 | A10-V14 WeakPolarHBondContact O-CG2 3.37Å; A10-V14 PolarHBondContact O-N 3.24Å; A11-V14 WeakPolarHBondContact O-CB 3.27Å; A11-V14 PolarHBondContact O-N 3.32Å; V14-K16 VanDerWaalsContact C-N 3.26Å; V14-K16 PolarHBondContact O-N 3.46Å; V14-M17 WeakPolarHBondContact O-CB 3.45Å; V14-M17 PolarHBondContact O-N 3.06Å; V14-I18 HydrophobicContact CG1-CD1 3.9Å; V14-I18 HydrophobicContact CG1-CG1 4.24Å; V14-I18 VanDerWaalsContact O-CG1 3.27Å; V14-I18 WeakPolarHBondContact O-CG1 3.5Å; V14-I18 PolarHBondContact O-N 3.22Å; V14-L23 HydrophobicContact CG1-CD1 4.42Å; V14-V28 HydrophobicContact CG1-CG2 3.88Å; V14-V28 HydrophobicContact CG2-CG2 4.18Å; V14-M45 HydrophobicContact CB-CE 3.93Å; V14-M45 HydrophobicContact CG1-CE 3.43Å; V14-M45 VanDerWaalsContact CG1-CE 3.43Å; V14-I310 HydrophobicContact CG2-CD1 4.15Å |
| 15 | V | 88.4 | Confident | 85.5 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58 | -39 | 178.3 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | A11 A12 V13 I18 K19 M45 D48 L49 | A11-V15 WeakPolarHBondContact O-CG2 3.49Å; A11-V15 PolarHBondContact O-N 2.86Å; A12-V15 PolarHBondContact O-N 3.17Å; V13-V15 PolarHBondContact O-N 3.02Å; V15-I18 PolarHBondContact O-N 3.06Å; V15-K19 HydrophobicContact CG1-CD 4.36Å; V15-K19 WeakPolarHBondContact O-CG 3.42Å; V15-K19 PolarHBondContact O-N 3.44Å; V15-M45 HydrophobicContact CG2-CB 3.81Å; V15-M45 HydrophobicContact CG2-CE 4.27Å; V15-M45 HydrophobicContact CG2-CG 3.85Å; V15-D48 HydrophobicContact CG1-CB 4.11Å; V15-L49 HydrophobicContact CG1-CD2 4.36Å; V15-L49 HydrophobicContact CG1-CG 4.28Å |
| 16 | K | 88.5 | Confident | 85 | Confident | 138 Ų | 138 | 66.8 Ų | 66.8 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.2 | -45.7 | 173.3 | -71.5 | -177.1 | 178.6 | -168.9 | 0 | 112 | A12 V13 V14 I18 K19 E20 | A12-K16 WeakPolarHBondContact O-CG 3.5Å; A12-K16 PolarHBondContact O-N 3.04Å; A12-K16 VanDerWaalsContact O-N 3.11Å; V13-K16 PolarHBondContact O-N 3.36Å; V14-K16 VanDerWaalsContact C-N 3.26Å; V14-K16 PolarHBondContact O-N 3.46Å; K16-I18 PolarHBondContact O-N 3.14Å; K16-K19 PolarHBondContact O-N 2.98Å; K16-K19 VanDerWaalsContact O-N 3.11Å; K16-E20 WeakPolarHBondContact O-CB 3.45Å; K16-E20 WeakPolarHBondContact O-CG 3.25Å; K16-E20 PolarHBondContact O-N 2.77Å |
| 17 | M | 86.9 | Confident | 84.8 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -34.1 | 176.7 | -68.6 | 174.5 | 172.6 | 0 | 0 | 112.8 | V13 V14 G21 I22 L23 | V13-M17 HydrophobicContact CG1-CE 3.65Å; V13-M17 HydrophobicContact CG1-SD 4.21Å; V13-M17 WeakPolarHBondContact O-CG 3.5Å; V13-M17 PolarHBondContact O-N 3.39Å; V14-M17 WeakPolarHBondContact O-CB 3.45Å; V14-M17 PolarHBondContact O-N 3.06Å; M17-G21 PolarHBondContact O-N 3.45Å; M17-G21 VanDerWaalsContact O-N 3.1Å; M17-I22 PolarHBondContact O-N 3.07Å; M17-I22 VanDerWaalsContact O-N 3.11Å; M17-L23 HydrophobicContact CB-CB 4.41Å; M17-L23 HydrophobicContact CB-CD1 3.85Å; M17-L23 HydrophobicContact SD-CD1 3.98Å |
| 18 | I | 84.1 | Confident | 84.9 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 5% | 0.046 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68 | -46.7 | 174.6 | -61.6 | 169.3 | 0 | 0 | 0 | 110.3 | V14 V15 K16 E20 G21 L49 V276 | V14-I18 HydrophobicContact CG1-CD1 3.9Å; V14-I18 HydrophobicContact CG1-CG1 4.24Å; V14-I18 VanDerWaalsContact O-CG1 3.27Å; V14-I18 WeakPolarHBondContact O-CG1 3.5Å; V14-I18 PolarHBondContact O-N 3.22Å; V15-I18 PolarHBondContact O-N 3.06Å; K16-I18 PolarHBondContact O-N 3.14Å; I18-E20 PolarHBondContact O-N 2.89Å; I18-G21 PolarHBondContact O-N 2.88Å; I18-L49 HydrophobicContact CB-CD2 3.95Å; I18-L49 HydrophobicContact CD1-CD1 4.18Å; I18-L49 HydrophobicContact CD1-CD2 4.37Å; I18-L49 HydrophobicContact CG2-CD2 3.48Å; I18-L49 VanDerWaalsContact CG2-CD2 3.48Å; I18-V276 HydrophobicContact CB-CG2 4.34Å; I18-V276 HydrophobicContact CD1-CB 4.14Å; I18-V276 HydrophobicContact CD1-CG1 3.7Å; I18-V276 HydrophobicContact CD1-CG2 3.96Å; I18-V276 HydrophobicContact CG1-CB 4.37Å; I18-V276 HydrophobicContact CG1-CG1 4.04Å; I18-V276 HydrophobicContact CG1-CG2 3.7Å; I18-V276 HydrophobicContact CG2-CG2 3.82Å |
| 19 | K | 82.9 | Confident | 84.9 | Confident | 133 Ų | 133 | 59.4 Ų | 59.4 | 58% | 0.578 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.3 | -32.7 | 177.7 | -74.1 | 177.7 | 177.5 | 179.4 | 0 | 112.6 | V15 K16 G21 D48 L49 | V15-K19 HydrophobicContact CG1-CD 4.36Å; V15-K19 WeakPolarHBondContact O-CG 3.42Å; V15-K19 PolarHBondContact O-N 3.44Å; K16-K19 PolarHBondContact O-N 2.98Å; K16-K19 VanDerWaalsContact O-N 3.11Å; K19-G21 VanDerWaalsContact C-N 3.35Å; K19-D48 WeakPolarHBondContact CE-O 3.39Å; K19-D48 PolarHBondContact NZ-O 3.12Å; K19-L49 HydrophobicContact CG-CD2 4.34Å |
| 20 | E | 83.6 | Confident | 85 | Confident | 127 Ų | 127 | 51.9 Ų | 51.9 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.5 | 176.1 | -68.6 | 168.2 | -171.1 | 0 | 0 | 113.1 | K16 I18 I22 | K16-E20 WeakPolarHBondContact O-CB 3.45Å; K16-E20 WeakPolarHBondContact O-CG 3.25Å; K16-E20 PolarHBondContact O-N 2.77Å; I18-E20 PolarHBondContact O-N 2.89Å; E20-I22 VanDerWaalsContact C-N 3.28Å; E20-I22 HydrophobicContact CB-CD1 3.87Å; E20-I22 HydrophobicContact CB-CG1 3.91Å; E20-I22 PolarHBondContact O-N 2.82Å; E20-I22 VanDerWaalsContact OE2-CD1 3.28Å; E20-I22 WeakPolarHBondContact OE2-CD1 3.48Å |
| 21 | G | 76.5 | Confident | 85 | Confident | 58 Ų | 58 | 50.4 Ų | 50.4 | 60% | 0.598 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 14.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | M17 I18 K19 | M17-G21 PolarHBondContact O-N 3.45Å; M17-G21 VanDerWaalsContact O-N 3.1Å; I18-G21 PolarHBondContact O-N 2.88Å; K19-G21 VanDerWaalsContact C-N 3.35Å |
| 22 | I | 76.8 | Confident | 84.9 | Confident | 117 Ų | 117 | 51 Ų | 51 | 60% | 0.6 | 29% | 0.287 | S | S | * | . | trans | -79.3 | -22.7 | -175.7 | -58.2 | 173.7 | 0 | 0 | 0 | 111.5 | M17 E20 A24 | M17-I22 PolarHBondContact O-N 3.07Å; M17-I22 VanDerWaalsContact O-N 3.11Å; E20-I22 VanDerWaalsContact C-N 3.28Å; E20-I22 HydrophobicContact CB-CD1 3.87Å; E20-I22 HydrophobicContact CB-CG1 3.91Å; E20-I22 PolarHBondContact O-N 2.82Å; E20-I22 VanDerWaalsContact OE2-CD1 3.28Å; E20-I22 WeakPolarHBondContact OE2-CD1 3.48Å; I22-A24 PolarHBondContact O-N 2.85Å | ||
| 23 | L | 71 | Confident | 84.7 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | trans | -81.4 | 37.3 | -171 | -149 | 123 | 0 | 0 | 0 | 114 | V14 M17 G25 R26 V276 I308 | V14-L23 HydrophobicContact CG1-CD1 4.42Å; M17-L23 HydrophobicContact CB-CB 4.41Å; M17-L23 HydrophobicContact CB-CD1 3.85Å; M17-L23 HydrophobicContact SD-CD1 3.98Å; L23-G25 PolarHBondContact O-N 2.83Å; L23-R26 HydrophobicContact CD2-CB 4.08Å; L23-R26 WeakPolarHBondContact CD2-O 3.46Å; L23-R26 HydrophobicContact CG-CB 4.08Å; L23-V276 HydrophobicContact CD2-CG1 3.92Å; L23-I308 HydrophobicContact CD1-CD1 4.15Å | ||
| 24 | A | 66.7 | Low | 84.4 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 131 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I22 R26 | I22-A24 PolarHBondContact O-N 2.85Å; A24-R26 PolarHBondContact O-N 2.84Å |
| 25 | G | 69.1 | Low | 84.2 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 11.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L23 L269 | L23-G25 PolarHBondContact O-N 2.83Å; G25-L269 VanDerWaalsContact CA-O 3.32Å; G25-L269 WeakPolarHBondContact CA-O 3.15Å |
| 26 | R | 81 | Confident | 84.1 | Confident | 148 Ų | 148 | 54.2 Ų | 54.2 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | trans | -111.2 | 147.8 | 175.9 | -63.2 | -175.4 | -177 | -172.4 | 0.1 | 110.6 | L23 A24 | L23-R26 HydrophobicContact CD2-CB 4.08Å; L23-R26 WeakPolarHBondContact CD2-O 3.46Å; L23-R26 HydrophobicContact CG-CB 4.08Å; A24-R26 PolarHBondContact O-N 2.84Å | ||
| 27 | A | 89.7 | Confident | 84 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 158.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L269 V277 M279 R306 L307 I308 | A27-L269 HydrophobicContact CB-CD1 4.12Å; A27-V277 CarbonylContact C-O 3.57Å; A27-V277 WeakPolarHBondContact CA-O 3.33Å; A27-V277 HydrophobicContact CB-CB 3.87Å; A27-V277 HydrophobicContact CB-CG1 4.3Å; A27-V277 WeakPolarHBondContact CB-O 3.48Å; A27-M279 HydrophobicContact CB-CE 3.51Å; A27-R306 PolarHBondContact N-O 2.75Å; A27-L307 HydrophobicContact CB-CD2 3.5Å; A27-L307 CarbonylContact O-C 3.49Å; A27-L307 WeakPolarHBondContact O-CA 3.42Å; A27-I308 PolarHBondContact O-N 2.93Å |
| 28 | V | 92.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.7 | -174 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | V14 L30 V277 V278 M279 I308 I310 | V14-V28 HydrophobicContact CG1-CG2 3.88Å; V14-V28 HydrophobicContact CG2-CG2 4.18Å; V28-L30 HydrophobicContact CG1-CD2 4.42Å; V28-V277 PolarHBondContact N-O 2.82Å; V28-V278 HydrophobicContact CB-CG2 4.41Å; V28-V278 CarbonylContact O-C 3.58Å; V28-V278 WeakPolarHBondContact O-CA 3.25Å; V28-M279 PolarHBondContact O-N 2.77Å; V28-I308 CarbonylContact C-O 3.49Å; V28-I308 WeakPolarHBondContact CA-O 3.48Å; V28-I308 HydrophobicContact CG2-CB 4.45Å; V28-I310 HydrophobicContact CG1-CD1 3.68Å; V28-I310 HydrophobicContact CG1-CG1 4.12Å |
| 29 | L | 94.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 114.1 | 177.6 | -176.4 | 66.5 | 0 | 0 | 0 | 110.8 | A31 V254 M279 T281 Y297 I299 L307 I308 I309 I310 | L29-A31 PolarHBondContact O-N 2.89Å; L29-V254 HydrophobicContact CD1-CG1 4.05Å; L29-M279 CarbonylContact C-O 3.59Å; L29-M279 HydrophobicContact CD1-CB 3.79Å; L29-T281 HydrophobicContact CD1-CG2 3.96Å; L29-T281 HydrophobicContact CD2-CG2 4.31Å; L29-T281 HydrophobicContact CG-CG2 4.27Å; L29-Y297 HydrophobicContact CD2-CD2 3.71Å; L29-Y297 HydrophobicContact CD2-CE2 4.23Å; L29-Y297 HydrophobicContact CD2-CG 3.88Å; L29-I299 HydrophobicContact CD1-CD1 3.97Å; L29-I299 HydrophobicContact CD2-CD1 3.8Å; L29-L307 HydrophobicContact CB-CB 4.41Å; L29-L307 HydrophobicContact CB-CD1 4.03Å; L29-L307 HydrophobicContact CD2-CD1 4.12Å; L29-I308 PolarHBondContact N-O 3.36Å; L29-I309 HydrophobicContact CB-CG1 4.26Å; L29-I309 HydrophobicContact CD2-CG1 4.15Å; L29-I309 CarbonylContact O-C 3.57Å; L29-I309 WeakPolarHBondContact O-CA 3.47Å; L29-I310 PolarHBondContact O-N 2.77Å |
| 30 | L | 94.2 | Very high | 84.6 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 107.3 | 168.5 | -56 | -176.8 | 0 | 0 | 0 | 109 | V28 K38 I41 A42 F250 V278 M279 A280 T281 I310 | V28-L30 HydrophobicContact CG1-CD2 4.42Å; L30-K38 HydrophobicContact CB-CB 4.16Å; L30-K38 HydrophobicContact CB-CD 4.19Å; L30-K38 HydrophobicContact CB-CG 4.15Å; L30-K38 HydrophobicContact CD1-CB 4.45Å; L30-K38 VanDerWaalsContact CD1-O 3.26Å; L30-K38 WeakPolarHBondContact CD1-O 3.31Å; L30-K38 WeakPolarHBondContact O-CD 3.26Å; L30-I41 HydrophobicContact CD1-CB 4.39Å; L30-I41 HydrophobicContact CD1-CG2 4.42Å; L30-A42 HydrophobicContact CD1-CB 4.03Å; L30-F250 HydrophobicContact CD1-CE2 4.48Å; L30-V278 HydrophobicContact CD1-CG1 4.03Å; L30-V278 HydrophobicContact CG-CG1 4.1Å; L30-M279 PolarHBondContact N-O 3.19Å; L30-A280 HydrophobicContact CB-CB 4.44Å; L30-A280 WeakPolarHBondContact O-CA 3.44Å; L30-T281 PolarHBondContact O-N 3.17Å; L30-I310 HydrophobicContact CD2-CB 3.84Å; L30-I310 HydrophobicContact CD2-CD1 4.03Å; L30-I310 HydrophobicContact CD2-CG1 4.4Å; L30-I310 HydrophobicContact CD2-CG2 4.23Å |
| 31 | A | 93 | Very high | 85 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L29 T281 Y297 I309 I310 K311 S312 | L29-A31 PolarHBondContact O-N 2.89Å; A31-T281 HydrophobicContact CB-CG2 3.99Å; A31-Y297 HydrophobicContact CB-CD1 4.13Å; A31-Y297 HydrophobicContact CB-CE1 3.52Å; A31-I309 HydrophobicContact CB-CG2 4.1Å; A31-I310 PolarHBondContact N-O 3.41Å; A31-K311 CarbonylContact O-C 3.54Å; A31-K311 WeakPolarHBondContact O-CA 3.46Å; A31-S312 PolarHBondContact O-N 3.39Å; A31-S312 PolarHBondContact O-OG 2.92Å |
| 32 | G | 90.4 | Very high | 85.6 | Confident | 19 Ų | 19 | 35.2 Ų | 35.2 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | trans | 159.7 | -174.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K38 T281 S312 | G32-K38 PolarHBondContact O-NZ 2.98Å; G32-T281 PolarHBondContact N-O 3.17Å; G32-S312 WeakPolarHBondContact CA-OG 3.22Å | ||
| 33 | P | 88 | Confident | 86.1 | Confident | 51 Ų | 51 | 33.8 Ų | 33.8 | 33% | 0.331 | 22% | 0.221 | S | C | . | . | trans | -67.6 | 159.6 | -176.5 | 25.8 | -30.9 | 0 | 0 | 0 | 112.4 | G35 S36 K38 P314 | P33-G35 PolarHBondContact O-N 3.27Å; P33-S36 WeakPolarHBondContact O-CB 3.37Å; P33-S36 PolarHBondContact O-N 3.32Å; P33-S36 PolarHBondContact O-OG 2.88Å; P33-K38 PolarHBondContact O-NZ 3.5Å; P33-P314 HydrophobicContact CG-CB 4.49Å | ||
| 34 | P | 86 | Confident | 86.9 | Confident | 101 Ų | 101 | 33.2 Ų | 33.2 | 66% | 0.656 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 138.1 | 172.7 | 26.6 | -34 | 0 | 0 | 0 | 110.3 | ||
| 35 | G | 83.6 | Confident | 88 | Confident | 42 Ų | 42 | 29.9 Ų | 29.9 | 43% | 0.433 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 4.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | P33 G37 Y315 | P33-G35 PolarHBondContact O-N 3.27Å; G35-G37 PolarHBondContact O-N 3.35Å; G35-Y315 VanDerWaalsContact O-CE2 3.31Å; G35-Y315 WeakPolarHBondContact O-CE2 3.49Å |
| 36 | S | 86.8 | Confident | 88.6 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -79.4 | 6.3 | 176.8 | 67 | 0 | 0 | 0 | 0 | 115.5 | Q4 P33 S312 Y315 | Q4-S36 PolarHBondContact NE2-O 2.92Å; P33-S36 WeakPolarHBondContact O-CB 3.37Å; P33-S36 PolarHBondContact O-N 3.32Å; P33-S36 PolarHBondContact O-OG 2.88Å; S36-S312 WeakPolarHBondContact OG-CB 3.43Å; S36-S312 PolarHBondContact OG-OG 2.95Å; S36-Y315 PolarHBondContact O-OH 2.81Å |
| 37 | G | 87.2 | Confident | 88.9 | Confident | 17 Ų | 17 | 30 Ų | 30 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 83 | 17.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G35 T39 A40 I41 | G35-G37 PolarHBondContact O-N 3.35Å; G37-T39 PolarHBondContact O-N 3.36Å; G37-A40 CarbonylContact O-C 3.59Å; G37-A40 WeakPolarHBondContact O-CA 3.1Å; G37-A40 WeakPolarHBondContact O-CB 3.37Å; G37-A40 PolarHBondContact O-N 2.9Å; G37-I41 WeakPolarHBondContact O-CG1 3.43Å; G37-I41 PolarHBondContact O-N 3.47Å |
| 38 | K | 89.7 | Confident | 88.7 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -52.1 | -53.9 | 179.3 | -65.9 | -174.2 | -72.6 | -83.6 | 0 | 113.6 | L30 G32 P33 A40 I41 A42 A280 T281 N282 | L30-K38 HydrophobicContact CB-CB 4.16Å; L30-K38 HydrophobicContact CB-CD 4.19Å; L30-K38 HydrophobicContact CB-CG 4.15Å; L30-K38 HydrophobicContact CD1-CB 4.45Å; L30-K38 VanDerWaalsContact CD1-O 3.26Å; L30-K38 WeakPolarHBondContact CD1-O 3.31Å; L30-K38 WeakPolarHBondContact O-CD 3.26Å; G32-K38 PolarHBondContact O-NZ 2.98Å; P33-K38 PolarHBondContact O-NZ 3.5Å; K38-A40 VanDerWaalsContact C-N 3.25Å; K38-A40 PolarHBondContact O-N 3.17Å; K38-I41 PolarHBondContact O-N 3.44Å; K38-I41 VanDerWaalsContact O-N 3.17Å; K38-A42 PolarHBondContact O-N 3.44Å; K38-A280 HydrophobicContact CB-CB 4.33Å; K38-A280 HydrophobicContact CD-CB 4.38Å; K38-T281 WeakPolarHBondContact CD-O 3.26Å; K38-T281 WeakPolarHBondContact CE-O 3.36Å; K38-T281 PolarHBondContact NZ-O 2.91Å; K38-N282 WeakPolarHBondContact CE-OD1 3.27Å; K38-N282 PolarHBondContact NZ-OD1 3.48Å |
| 39 | T | 87.7 | Confident | 88.3 | Confident | 46 Ų | 46 | 35.4 Ų | 35.4 | 28% | 0.282 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61 | -36 | 177.1 | -39.7 | 0 | 0 | 0 | 0 | 111.6 | G37 A42 M43 F250 D252 | G37-T39 PolarHBondContact O-N 3.36Å; T39-A42 PolarHBondContact O-N 3.37Å; T39-M43 HydrophobicContact CG2-CE 4.15Å; T39-M43 WeakPolarHBondContact O-CG 3.4Å; T39-M43 PolarHBondContact O-N 3.36Å; T39-F250 HydrophobicContact CG2-CE1 3.95Å; T39-F250 HydrophobicContact CG2-CZ 4.23Å; T39-D252 PolarHBondContact OG1-OD2 3.16Å |
| 40 | A | 89.2 | Confident | 87.7 | Confident | 51 Ų | 51 | 36.9 Ų | 36.9 | 42% | 0.421 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.8 | -35.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G37 K38 G44 | G37-A40 CarbonylContact O-C 3.59Å; G37-A40 WeakPolarHBondContact O-CA 3.1Å; G37-A40 WeakPolarHBondContact O-CB 3.37Å; G37-A40 PolarHBondContact O-N 2.9Å; K38-A40 VanDerWaalsContact C-N 3.25Å; K38-A40 PolarHBondContact O-N 3.17Å; A40-G44 PolarHBondContact O-N 3.27Å |
| 41 | I | 91.7 | Very high | 86.9 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.1 | -45 | 173.6 | -65.8 | 163.7 | 0 | 0 | 0 | 109.9 | Q4 A7 A11 L30 G37 K38 M43 G44 M45 | Q4-I41 HydrophobicContact CG-CD1 4.13Å; A7-I41 HydrophobicContact CB-CD1 3.73Å; A11-I41 HydrophobicContact CB-CG2 3.64Å; L30-I41 HydrophobicContact CD1-CB 4.39Å; L30-I41 HydrophobicContact CD1-CG2 4.42Å; G37-I41 WeakPolarHBondContact O-CG1 3.43Å; G37-I41 PolarHBondContact O-N 3.47Å; K38-I41 PolarHBondContact O-N 3.44Å; K38-I41 VanDerWaalsContact O-N 3.17Å; I41-M43 PolarHBondContact O-N 2.94Å; I41-G44 PolarHBondContact O-N 3.11Å; I41-G44 VanDerWaalsContact O-N 3.17Å; I41-M45 HydrophobicContact CG2-SD 4.27Å; I41-M45 WeakPolarHBondContact O-CG 2.95Å; I41-M45 PolarHBondContact O-N 2.93Å |
| 42 | A | 88.7 | Confident | 86.3 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L30 K38 T39 G44 M45 C46 F250 V278 | L30-A42 HydrophobicContact CD1-CB 4.03Å; K38-A42 PolarHBondContact O-N 3.44Å; T39-A42 PolarHBondContact O-N 3.37Å; A42-G44 VanDerWaalsContact C-N 3.33Å; A42-G44 PolarHBondContact O-N 2.95Å; A42-M45 WeakPolarHBondContact O-CB 3.44Å; A42-M45 PolarHBondContact O-N 2.81Å; A42-C46 PolarHBondContact O-N 2.86Å; A42-C46 VanDerWaalsContact O-N 3.12Å; A42-F250 HydrophobicContact CB-CD2 3.34Å; A42-F250 HydrophobicContact CB-CE2 3.29Å; A42-F250 HydrophobicContact CB-CG 4.08Å; A42-F250 HydrophobicContact CB-CZ 3.99Å; A42-V278 HydrophobicContact CB-CG1 4.35Å |
| 43 | M | 87.4 | Confident | 85.9 | Confident | 87 Ų | 87 | 51 Ų | 51 | 43% | 0.429 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 173.4 | -73 | 178 | 172 | 0 | 0 | 112 | T39 I41 C46 Q47 I57 | T39-M43 HydrophobicContact CG2-CE 4.15Å; T39-M43 WeakPolarHBondContact O-CG 3.4Å; T39-M43 PolarHBondContact O-N 3.36Å; I41-M43 PolarHBondContact O-N 2.94Å; M43-C46 PolarHBondContact O-N 3.09Å; M43-Q47 WeakPolarHBondContact O-CG 3.38Å; M43-Q47 PolarHBondContact O-N 3.26Å; M43-I57 HydrophobicContact CE-CD1 3.97Å |
| 44 | G | 88.6 | Confident | 85.8 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A40 I41 A42 C46 Q47 D48 | A40-G44 PolarHBondContact O-N 3.27Å; I41-G44 PolarHBondContact O-N 3.11Å; I41-G44 VanDerWaalsContact O-N 3.17Å; A42-G44 VanDerWaalsContact C-N 3.33Å; A42-G44 PolarHBondContact O-N 2.95Å; G44-C46 VanDerWaalsContact C-N 3.3Å; G44-C46 PolarHBondContact O-N 3.47Å; G44-Q47 PolarHBondContact O-N 3.49Å; G44-D48 PolarHBondContact O-N 3.34Å |
| 45 | M | 88 | Confident | 85.8 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 175.4 | -69.9 | 172 | 65.3 | 0 | 0 | 111.9 | A11 V14 V15 I41 A42 D48 L49 V278 | A11-M45 HydrophobicContact CB-CG 3.78Å; A11-M45 HydrophobicContact CB-SD 3.78Å; V14-M45 HydrophobicContact CB-CE 3.93Å; V14-M45 HydrophobicContact CG1-CE 3.43Å; V14-M45 VanDerWaalsContact CG1-CE 3.43Å; V15-M45 HydrophobicContact CG2-CB 3.81Å; V15-M45 HydrophobicContact CG2-CE 4.27Å; V15-M45 HydrophobicContact CG2-CG 3.85Å; I41-M45 HydrophobicContact CG2-SD 4.27Å; I41-M45 WeakPolarHBondContact O-CG 2.95Å; I41-M45 PolarHBondContact O-N 2.93Å; A42-M45 WeakPolarHBondContact O-CB 3.44Å; A42-M45 PolarHBondContact O-N 2.81Å; M45-D48 PolarHBondContact O-N 3.48Å; M45-L49 WeakPolarHBondContact O-CD1 3.36Å; M45-L49 WeakPolarHBondContact O-CG 3.43Å; M45-L49 PolarHBondContact O-N 3.5Å; M45-L49 VanDerWaalsContact O-N 3.12Å; M45-V278 HydrophobicContact CE-CG2 4.32Å |
| 46 | C | 83.5 | Confident | 86.1 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 14% | 0.135 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | A42 M43 G44 D48 L49 G50 M55 | A42-C46 PolarHBondContact O-N 2.86Å; A42-C46 VanDerWaalsContact O-N 3.12Å; M43-C46 PolarHBondContact O-N 3.09Å; G44-C46 VanDerWaalsContact C-N 3.3Å; G44-C46 PolarHBondContact O-N 3.47Å; C46-D48 PolarHBondContact O-N 3.2Å; C46-L49 PolarHBondContact O-N 3.44Å; C46-G50 PolarHBondContact O-N 3.2Å; C46-M55 HydrophobicContact CB-CB 4.45Å; C46-M55 HydrophobicContact CB-CE 4.2Å; C46-M55 HydrophobicContact CB-CG 4.31Å; C46-M55 HydrophobicContact CB-SD 3.4Å; C46-M55 WeakPolarHBondContact CB-SD 3.21Å; C46-M55 WeakPolarHBondContact SG-CB 3.28Å |
| 47 | Q | 85.7 | Confident | 86.4 | Confident | 158 Ų | 158 | 50.7 Ų | 50.7 | 74% | 0.738 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.7 | -35.6 | 178.1 | -71.4 | 179.2 | -2.4 | 0 | 0 | 111.8 | M43 G44 | M43-Q47 WeakPolarHBondContact O-CG 3.38Å; M43-Q47 PolarHBondContact O-N 3.26Å; G44-Q47 PolarHBondContact O-N 3.49Å |
| 48 | D | 86.9 | Confident | 86.6 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 49% | 0.492 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -74.3 | -23.1 | 178 | -71 | -16.8 | 0 | 0 | 0 | 113.4 | V15 K19 G44 M45 C46 | V15-D48 HydrophobicContact CG1-CB 4.11Å; K19-D48 WeakPolarHBondContact CE-O 3.39Å; K19-D48 PolarHBondContact NZ-O 3.12Å; G44-D48 PolarHBondContact O-N 3.34Å; M45-D48 PolarHBondContact O-N 3.48Å; C46-D48 PolarHBondContact O-N 3.2Å |
| 49 | L | 83.9 | Confident | 86.7 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.2 | -36.9 | 176.9 | -81.4 | 159.1 | 0 | 0 | 0 | 112.1 | V15 I18 K19 M45 C46 T53 V248 | V15-L49 HydrophobicContact CG1-CD2 4.36Å; V15-L49 HydrophobicContact CG1-CG 4.28Å; I18-L49 HydrophobicContact CB-CD2 3.95Å; I18-L49 HydrophobicContact CD1-CD1 4.18Å; I18-L49 HydrophobicContact CD1-CD2 4.37Å; I18-L49 HydrophobicContact CG2-CD2 3.48Å; I18-L49 VanDerWaalsContact CG2-CD2 3.48Å; K19-L49 HydrophobicContact CG-CD2 4.34Å; M45-L49 WeakPolarHBondContact O-CD1 3.36Å; M45-L49 WeakPolarHBondContact O-CG 3.43Å; M45-L49 PolarHBondContact O-N 3.5Å; M45-L49 VanDerWaalsContact O-N 3.12Å; C46-L49 PolarHBondContact O-N 3.44Å; L49-T53 HydrophobicContact CB-CG2 4.16Å; L49-V248 HydrophobicContact CD1-CG2 3.32Å |
| 50 | G | 81.4 | Confident | 86.7 | Confident | 31 Ų | 31 | 49 Ų | 49 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | trans | 139.4 | 166.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C46 D52 T53 | C46-G50 PolarHBondContact O-N 3.2Å; G50-D52 VanDerWaalsContact C-N 3.29Å; G50-T53 PolarHBondContact O-OG1 3.35Å | ||
| 51 | K | 78.2 | Confident | 86.6 | Confident | 211 Ų | 211 | 49.3 Ų | 49.3 | 92% | 0.917 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -73.8 | -24 | 176 | -67.5 | -176.9 | 179.8 | 179.2 | 0 | 112.8 | ||
| 52 | D | 79.8 | Confident | 86.4 | Confident | 88 Ų | 88 | 54.1 Ų | 54.1 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -89.5 | -9.8 | -175.3 | -52.1 | -26.3 | 0 | 0 | 0 | 112.9 | G50 P54 R85 | G50-D52 VanDerWaalsContact C-N 3.29Å; D52-P54 WeakPolarHBondContact O-CD 3.4Å; D52-R85 VanDerWaalsContact CG-NH2 3.27Å; D52-R85 IonicContact OD2-CZ 2.77Å; D52-R85 IonicContact OD2-NH2 2.74Å; D52-R85 PolarHBondContact OD2-NH2 3.43Å |
| 53 | T | 82.2 | Confident | 86.3 | Confident | 23 Ų | 23 | 54 Ų | 54 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -82 | 118.1 | 179.3 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | L49 G50 I245 | L49-T53 HydrophobicContact CB-CG2 4.16Å; G50-T53 PolarHBondContact O-OG1 3.35Å; T53-I245 HydrophobicContact CG2-CG2 3.64Å |
| 54 | P | 85.9 | Confident | 86.2 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | trans | -68.4 | 139.1 | -179.2 | 25.9 | -30.9 | 0 | 0 | 0 | 110.7 | D52 T196 G247 V248 | D52-P54 WeakPolarHBondContact O-CD 3.4Å; P54-T196 HydrophobicContact CB-CG2 4.44Å; P54-G247 CarbonylContact O-C 3.52Å; P54-G247 WeakPolarHBondContact O-CA 3.21Å; P54-V248 PolarHBondContact O-N 3.38Å | ||
| 55 | M | 86.2 | Confident | 85.9 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.7 | 173.1 | -176.8 | -172.1 | -165.7 | 0 | 0 | 109.1 | C46 I57 V248 F250 | C46-M55 HydrophobicContact CB-CB 4.45Å; C46-M55 HydrophobicContact CB-CE 4.2Å; C46-M55 HydrophobicContact CB-CG 4.31Å; C46-M55 HydrophobicContact CB-SD 3.4Å; C46-M55 WeakPolarHBondContact CB-SD 3.21Å; C46-M55 WeakPolarHBondContact SG-CB 3.28Å; M55-I57 HydrophobicContact CE-CD1 4.5Å; M55-I57 HydrophobicContact CE-CG1 4.1Å; M55-I57 HydrophobicContact CG-CG1 4.4Å; M55-I57 HydrophobicContact SD-CD1 4.45Å; M55-I57 HydrophobicContact SD-CG1 4.26Å; M55-V248 WeakPolarHBondContact CA-O 3.34Å; M55-F250 HydrophobicContact CE-CB 3.67Å; M55-F250 HydrophobicContact CE-CG 4.17Å |
| 56 | T | 90.2 | Very high | 85.7 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.7 | 170.9 | -50.7 | 0 | 0 | 0 | 0 | 108.4 | A77 K80 S81 V248 L249 F250 | T56-A77 HydrophobicContact CG2-CB 4.29Å; T56-K80 HydrophobicContact CG2-CB 4.44Å; T56-K80 WeakPolarHBondContact OG1-CB 3.4Å; T56-S81 WeakPolarHBondContact CB-OG 3.32Å; T56-S81 PolarHBondContact OG1-N 3.22Å; T56-S81 PolarHBondContact OG1-OG 3.27Å; T56-V248 PolarHBondContact N-O 3.04Å; T56-L249 HydrophobicContact CG2-CD1 4.24Å; T56-F250 PolarHBondContact O-N 2.92Å |
| 57 | I | 91.6 | Very high | 85.6 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.5 | 172.5 | -61.1 | 175.1 | 0 | 0 | 0 | 106.3 | M43 M55 F250 | M43-I57 HydrophobicContact CE-CD1 3.97Å; M55-I57 HydrophobicContact CE-CD1 4.5Å; M55-I57 HydrophobicContact CE-CG1 4.1Å; M55-I57 HydrophobicContact CG-CG1 4.4Å; M55-I57 HydrophobicContact SD-CD1 4.45Å; M55-I57 HydrophobicContact SD-CG1 4.26Å; I57-F250 HydrophobicContact CG1-CD1 4.47Å; I57-F250 HydrophobicContact CG2-CD1 4.1Å |
| 58 | L | 92.5 | Very high | 85.5 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 7% | 0.068 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.3 | 178.1 | -172.5 | 68.5 | 0 | 0 | 0 | 108.7 | E62 I63 L73 L74 A77 F250 I251 D252 | L58-E62 HydrophobicContact CD1-CB 4.02Å; L58-I63 HydrophobicContact CD1-CG1 4.49Å; L58-I63 HydrophobicContact CD2-CD1 3.71Å; L58-I63 HydrophobicContact CD2-CG1 3.71Å; L58-I63 HydrophobicContact CG-CD1 4.37Å; L58-I63 HydrophobicContact CG-CG1 4.24Å; L58-L73 HydrophobicContact CD1-CD2 4.27Å; L58-L74 HydrophobicContact CD2-CD2 4.09Å; L58-A77 HydrophobicContact CD2-CB 4Å; L58-F250 PolarHBondContact N-O 2.86Å; L58-I251 CarbonylContact O-C 3.51Å; L58-I251 VanDerWaalsContact O-CA 3.25Å; L58-I251 WeakPolarHBondContact O-CA 3.45Å; L58-D252 PolarHBondContact O-N 3.22Å |
| 59 | S | 91.4 | Very high | 85.6 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 140.6 | 167.4 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | S61 E62 | S59-S61 PolarHBondContact O-N 3.06Å; S59-S61 PolarHBondContact OG-N 3.08Å; S59-S61 PolarHBondContact OG-OG 2.89Å; S59-E62 PolarHBondContact N-OE2 3.16Å; S59-E62 WeakPolarHBondContact O-CB 3.48Å; S59-E62 PolarHBondContact O-N 3.21Å |
| 60 | G | 87.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -18.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y64 D252 | G60-Y64 WeakPolarHBondContact O-CE2 3.41Å; G60-D252 PolarHBondContact N-O 3.32Å |
| 61 | S | 87.8 | Confident | 86.1 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -24.4 | 172.2 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | S59 I63 Y64 | S59-S61 PolarHBondContact O-N 3.06Å; S59-S61 PolarHBondContact OG-N 3.08Å; S59-S61 PolarHBondContact OG-OG 2.89Å; S61-I63 PolarHBondContact O-N 3.47Å; S61-Y64 PolarHBondContact O-N 3.23Å |
| 62 | E | 86.6 | Confident | 86.6 | Confident | 109 Ų | 109 | 53.8 Ų | 53.8 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -18.9 | -177.6 | -76.3 | 162.7 | -171 | 0 | 0 | 112.7 | L58 S59 Y64 L73 | L58-E62 HydrophobicContact CD1-CB 4.02Å; S59-E62 PolarHBondContact N-OE2 3.16Å; S59-E62 WeakPolarHBondContact O-CB 3.48Å; S59-E62 PolarHBondContact O-N 3.21Å; E62-Y64 PolarHBondContact O-N 3.33Å; E62-L73 WeakPolarHBondContact O-CD2 3.32Å |
| 63 | I | 87.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -21.2 | 178.1 | -68.1 | 153.5 | 0 | 0 | 0 | 113.1 | L58 S61 S65 K70 L73 L74 L257 | L58-I63 HydrophobicContact CD1-CG1 4.49Å; L58-I63 HydrophobicContact CD2-CD1 3.71Å; L58-I63 HydrophobicContact CD2-CG1 3.71Å; L58-I63 HydrophobicContact CG-CD1 4.37Å; L58-I63 HydrophobicContact CG-CG1 4.24Å; S61-I63 PolarHBondContact O-N 3.47Å; I63-S65 PolarHBondContact O-N 2.96Å; I63-K70 HydrophobicContact CG2-CB 3.85Å; I63-K70 HydrophobicContact CG2-CG 4.21Å; I63-L73 HydrophobicContact CB-CD2 4.45Å; I63-L73 HydrophobicContact CG1-CD2 4.23Å; I63-L74 HydrophobicContact CD1-CD2 3.57Å; I63-L74 HydrophobicContact CD1-CG 4.3Å; I63-L74 HydrophobicContact CG1-CD2 3.97Å; I63-L74 HydrophobicContact CG1-CG 4.34Å; I63-L74 HydrophobicContact CG2-CG 4.3Å; I63-L257 HydrophobicContact CD1-CD2 3.16Å; I63-L257 HydrophobicContact CG1-CD2 4.45Å |
| 64 | Y | 86.2 | Confident | 87.4 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | trans | -90.9 | 84.8 | 176.8 | -55 | -80.3 | 0 | 0 | 0 | 109.5 | G60 S61 E62 K70 M256 D258 R289 | G60-Y64 WeakPolarHBondContact O-CE2 3.41Å; S61-Y64 PolarHBondContact O-N 3.23Å; E62-Y64 PolarHBondContact O-N 3.33Å; Y64-K70 HydrophobicContact CD1-CD 4.03Å; Y64-K70 HydrophobicContact CD1-CG 4.5Å; Y64-K70 HydrophobicContact CE1-CD 3.97Å; Y64-M256 WeakPolarHBondContact CE2-O 3.34Å; Y64-M256 PolarHBondContact OH-O 3.22Å; Y64-D258 PolarHBondContact OH-N 2.56Å; Y64-R289 VanDerWaalsContact CE2-NH1 3.33Å; Y64-R289 PolarHBondContact OH-NH1 3.21Å | ||
| 65 | S | 81.9 | Confident | 87.6 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | trans | -103.2 | 159.4 | 169.1 | 78.7 | 0 | 0 | 0 | 0 | 111 | I63 V68 | I63-S65 PolarHBondContact O-N 2.96Å; S65-V68 PolarHBondContact OG-N 2.82Å; S65-V68 PolarHBondContact OG-O 2.95Å | ||
| 66 | V | 83.6 | Confident | 87.8 | Confident | 145 Ų | 145 | 47 Ų | 47 | 88% | 0.879 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -85.6 | -33 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 67 | D | 81.7 | Confident | 87.8 | Confident | 150 Ų | 150 | 46.2 Ų | 46.2 | 80% | 0.802 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -86.2 | -25.1 | -170.7 | -55.6 | -45.5 | 0 | 0 | 0 | 113.6 | ||
| 68 | V | 84.3 | Confident | 87.8 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -130 | 140.1 | -171.9 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | S65 E72 | S65-V68 PolarHBondContact OG-N 2.82Å; S65-V68 PolarHBondContact OG-O 2.95Å; V68-E72 HydrophobicContact CG1-CB 3.72Å; V68-E72 HydrophobicContact CG1-CG 3.52Å |
| 69 | S | 87.4 | Confident | 87.8 | Confident | 55 Ų | 55 | 43.3 Ų | 43.3 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | trans | -63.3 | 145 | 175.1 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | S71 E72 L73 E220 | S69-S71 VanDerWaalsContact C-N 3.25Å; S69-S71 PolarHBondContact O-N 2.9Å; S69-E72 WeakPolarHBondContact O-CB 3.48Å; S69-E72 PolarHBondContact O-N 3.07Å; S69-E72 WeakPolarHBondContact OG-CB 3.37Å; S69-L73 PolarHBondContact O-N 2.81Å; S69-E220 PolarHBondContact N-OE1 3.23Å; S69-E220 PolarHBondContact OG-OE1 2.69Å | ||
| 70 | K | 89.1 | Confident | 87.7 | Confident | 57 Ų | 57 | 46.1 Ų | 46.1 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.8 | -43.9 | 179.8 | -61.3 | 176.1 | -64.7 | 179.3 | 0 | 112.2 | I63 Y64 E72 L73 L74 D258 E260 | I63-K70 HydrophobicContact CG2-CB 3.85Å; I63-K70 HydrophobicContact CG2-CG 4.21Å; Y64-K70 HydrophobicContact CD1-CD 4.03Å; Y64-K70 HydrophobicContact CD1-CG 4.5Å; Y64-K70 HydrophobicContact CE1-CD 3.97Å; K70-E72 VanDerWaalsContact C-N 3.35Å; K70-L73 PolarHBondContact O-N 2.85Å; K70-L74 WeakPolarHBondContact O-CG 3.5Å; K70-L74 PolarHBondContact O-N 2.91Å; K70-L74 VanDerWaalsContact O-N 3.12Å; K70-D258 IonicContact NZ-OD2 2.67Å; K70-D258 PolarHBondContact NZ-OD2 3.2Å; K70-E260 IonicContact NZ-OE2 3.02Å; K70-E260 PolarHBondContact NZ-OE2 3.41Å |
| 71 | S | 87.4 | Confident | 87.8 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 178.7 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | S69 L74 A75 | S69-S71 VanDerWaalsContact C-N 3.25Å; S69-S71 PolarHBondContact O-N 2.9Å; S71-L74 PolarHBondContact O-N 3.08Å; S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 2.8Å |
| 72 | E | 88.4 | Confident | 87.9 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -41.9 | 177.6 | 176.1 | 57.2 | -163.6 | 0 | 0 | 111.5 | V68 S69 K70 L74 A75 Q76 E220 V221 R226 | V68-E72 HydrophobicContact CG1-CB 3.72Å; V68-E72 HydrophobicContact CG1-CG 3.52Å; S69-E72 WeakPolarHBondContact O-CB 3.48Å; S69-E72 PolarHBondContact O-N 3.07Å; S69-E72 WeakPolarHBondContact OG-CB 3.37Å; K70-E72 VanDerWaalsContact C-N 3.35Å; E72-L74 VanDerWaalsContact C-N 3.32Å; E72-L74 PolarHBondContact O-N 3.4Å; E72-A75 WeakPolarHBondContact O-CB 3.41Å; E72-A75 PolarHBondContact O-N 2.91Å; E72-A75 VanDerWaalsContact O-N 3.13Å; E72-Q76 VanDerWaalsContact O-CG 3.3Å; E72-Q76 WeakPolarHBondContact O-CG 3.45Å; E72-Q76 PolarHBondContact O-N 2.93Å; E72-Q76 WeakPolarHBondContact OE1-CG 3.33Å; E72-Q76 PolarHBondContact OE1-NE2 2.81Å; E72-E220 HydrophobicContact CG-CB 4.28Å; E72-E220 HydrophobicContact CG-CG 4.11Å; E72-V221 PolarHBondContact OE1-N 2.8Å; E72-R226 IonicContact OE1-CZ 2.79Å; E72-R226 IonicContact OE1-NH1 3.71Å; E72-R226 IonicContact OE1-NH2 2.69Å; E72-R226 PolarHBondContact OE1-NH2 2.86Å; E72-R226 IonicContact OE2-CZ 3.23Å; E72-R226 IonicContact OE2-NH1 2.65Å; E72-R226 PolarHBondContact OE2-NH1 3.14Å; E72-R226 IonicContact OE2-NH2 2.84Å; E72-R226 PolarHBondContact OE2-NH2 2.79Å |
| 73 | L | 89.7 | Confident | 88.1 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 175.7 | -161.7 | 81.6 | 0 | 0 | 0 | 111.9 | L58 E62 I63 S69 K70 Q76 A77 | L58-L73 HydrophobicContact CD1-CD2 4.27Å; E62-L73 WeakPolarHBondContact O-CD2 3.32Å; I63-L73 HydrophobicContact CB-CD2 4.45Å; I63-L73 HydrophobicContact CG1-CD2 4.23Å; S69-L73 PolarHBondContact O-N 2.81Å; K70-L73 PolarHBondContact O-N 2.85Å; L73-Q76 PolarHBondContact O-N 2.88Å; L73-A77 WeakPolarHBondContact O-CB 3.29Å; L73-A77 PolarHBondContact O-N 3.11Å |
| 74 | L | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 172.9 | -74.3 | 174.1 | 0 | 0 | 0 | 111.6 | L58 I63 K70 S71 E72 Q76 A77 I78 Y264 L265 | L58-L74 HydrophobicContact CD2-CD2 4.09Å; I63-L74 HydrophobicContact CD1-CD2 3.57Å; I63-L74 HydrophobicContact CD1-CG 4.3Å; I63-L74 HydrophobicContact CG1-CD2 3.97Å; I63-L74 HydrophobicContact CG1-CG 4.34Å; I63-L74 HydrophobicContact CG2-CG 4.3Å; K70-L74 WeakPolarHBondContact O-CG 3.5Å; K70-L74 PolarHBondContact O-N 2.91Å; K70-L74 VanDerWaalsContact O-N 3.12Å; S71-L74 PolarHBondContact O-N 3.08Å; E72-L74 VanDerWaalsContact C-N 3.32Å; E72-L74 PolarHBondContact O-N 3.4Å; L74-Q76 VanDerWaalsContact C-N 3.35Å; L74-Q76 PolarHBondContact O-N 3.05Å; L74-A77 PolarHBondContact O-N 3.1Å; L74-I78 WeakPolarHBondContact O-CB 3.35Å; L74-I78 WeakPolarHBondContact O-CD1 3.19Å; L74-I78 VanDerWaalsContact O-CG1 3.28Å; L74-I78 WeakPolarHBondContact O-CG1 3.32Å; L74-I78 PolarHBondContact O-N 3.34Å; L74-Y264 HydrophobicContact CB-CD1 3.79Å; L74-Y264 HydrophobicContact CB-CE1 3.81Å; L74-Y264 HydrophobicContact CD1-CD1 4.01Å; L74-L265 HydrophobicContact CD2-CD2 4.34Å |
| 75 | A | 90.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S71 E72 I78 R79 Y264 | S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 2.8Å; E72-A75 WeakPolarHBondContact O-CB 3.41Å; E72-A75 PolarHBondContact O-N 2.91Å; E72-A75 VanDerWaalsContact O-N 3.13Å; A75-I78 PolarHBondContact O-N 3.44Å; A75-R79 WeakPolarHBondContact O-CG 2.85Å; A75-R79 PolarHBondContact O-N 2.92Å; A75-Y264 HydrophobicContact CB-CE1 4.46Å; A75-Y264 WeakPolarHBondContact CB-OH 3.35Å |
| 76 | Q | 89.4 | Confident | 88.8 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.7 | -68.2 | 179.6 | 10.2 | 0 | 0 | 111.3 | E72 L73 L74 I78 R79 K80 | E72-Q76 VanDerWaalsContact O-CG 3.3Å; E72-Q76 WeakPolarHBondContact O-CG 3.45Å; E72-Q76 PolarHBondContact O-N 2.93Å; E72-Q76 WeakPolarHBondContact OE1-CG 3.33Å; E72-Q76 PolarHBondContact OE1-NE2 2.81Å; L73-Q76 PolarHBondContact O-N 2.88Å; L74-Q76 VanDerWaalsContact C-N 3.35Å; L74-Q76 PolarHBondContact O-N 3.05Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 2.82Å; Q76-R79 PolarHBondContact O-N 2.98Å; Q76-K80 WeakPolarHBondContact O-CB 3.43Å; Q76-K80 VanDerWaalsContact O-CG 3.28Å; Q76-K80 WeakPolarHBondContact O-CG 3.42Å; Q76-K80 PolarHBondContact O-N 3.1Å |
| 77 | A | 91.4 | Very high | 89 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 5% | 0.05 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | T56 L58 L73 L74 S81 L249 | T56-A77 HydrophobicContact CG2-CB 4.29Å; L58-A77 HydrophobicContact CD2-CB 4Å; L73-A77 WeakPolarHBondContact O-CB 3.29Å; L73-A77 PolarHBondContact O-N 3.11Å; L74-A77 PolarHBondContact O-N 3.1Å; A77-S81 WeakPolarHBondContact O-CB 3.37Å; A77-S81 PolarHBondContact O-N 3.21Å; A77-S81 PolarHBondContact O-OG 2.79Å; A77-L249 HydrophobicContact CB-CD1 3.89Å |
| 78 | I | 91.2 | Very high | 89.1 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -48.2 | 174.2 | -73 | 160.9 | 0 | 0 | 0 | 110.4 | L74 A75 Q76 S81 L249 Y264 L265 A268 P275 | L74-I78 WeakPolarHBondContact O-CB 3.35Å; L74-I78 WeakPolarHBondContact O-CD1 3.19Å; L74-I78 VanDerWaalsContact O-CG1 3.28Å; L74-I78 WeakPolarHBondContact O-CG1 3.32Å; L74-I78 PolarHBondContact O-N 3.34Å; A75-I78 PolarHBondContact O-N 3.44Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 2.82Å; I78-S81 WeakPolarHBondContact O-CB 3.16Å; I78-S81 PolarHBondContact O-N 2.8Å; I78-S81 VanDerWaalsContact O-N 3.15Å; I78-L249 HydrophobicContact CG1-CD2 3.83Å; I78-Y264 HydrophobicContact CD1-CE1 4.08Å; I78-L265 HydrophobicContact CD1-CD2 4.29Å; I78-A268 HydrophobicContact CD1-CB 3.57Å; I78-P275 HydrophobicContact CG2-CG 4.14Å |
| 79 | R | 90.8 | Very high | 89.1 | Confident | 27 Ų | 27 | 40 Ų | 40 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.7 | -31.6 | -179.1 | -72 | -164 | 174.3 | -132.1 | -9.7 | 113.9 | A75 Q76 S81 I82 L197 H198 D201 R226 N230 | A75-R79 WeakPolarHBondContact O-CG 2.85Å; A75-R79 PolarHBondContact O-N 2.92Å; Q76-R79 PolarHBondContact O-N 2.98Å; R79-S81 PolarHBondContact O-N 3.29Å; R79-I82 PolarHBondContact O-N 3.01Å; R79-L197 HydrophobicContact CB-CB 4.02Å; R79-L197 HydrophobicContact CG-CB 4.34Å; R79-L197 PolarHBondContact O-N 2.86Å; R79-H198 HydrophobicContact CB-CB 3.96Å; R79-H198 PolarHBondContact O-N 2.87Å; R79-D201 WeakPolarHBondContact CD-OD2 3.42Å; R79-D201 IonicContact CZ-OD1 3.56Å; R79-D201 IonicContact CZ-OD2 3.14Å; R79-D201 IonicContact NE-OD2 3.56Å; R79-D201 PolarHBondContact NE-OD2 2.88Å; R79-D201 VanDerWaalsContact NH1-CG 3.32Å; R79-D201 IonicContact NH1-OD1 3.91Å; R79-D201 PolarHBondContact NH1-OD1 3.22Å; R79-D201 IonicContact NH1-OD2 3.65Å; R79-D201 PolarHBondContact NH1-OD2 3.03Å; R79-D201 VanDerWaalsContact NH1-OD2 3.07Å; R79-R226 PolarHBondContact NH2-O 2.99Å; R79-N230 PolarHBondContact NH2-ND2 3.01Å; R79-N230 VanDerWaalsContact NH2-ND2 3.11Å; R79-N230 PolarHBondContact NH2-OD1 3.49Å |
| 80 | K | 90.5 | Very high | 89 | Confident | 79 Ų | 79 | 37.8 Ų | 37.8 | 34% | 0.343 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.5 | -29.6 | 170.3 | -76.3 | 177.7 | -177.6 | 176.7 | 0 | 112.1 | T56 Q76 I82 T196 H198 | T56-K80 HydrophobicContact CG2-CB 4.44Å; T56-K80 WeakPolarHBondContact OG1-CB 3.4Å; Q76-K80 WeakPolarHBondContact O-CB 3.43Å; Q76-K80 VanDerWaalsContact O-CG 3.28Å; Q76-K80 WeakPolarHBondContact O-CG 3.42Å; Q76-K80 PolarHBondContact O-N 3.1Å; K80-I82 PolarHBondContact O-N 3.33Å; K80-T196 WeakPolarHBondContact O-CG2 3.17Å; K80-H198 HydrophobicContact CB-CB 4.44Å; K80-H198 WeakPolarHBondContact CE-CD2 2.99Å; K80-H198 WeakPolarHBondContact CE-NE2 3.37Å; K80-H198 HydrophobicContact CG-CB 3.6Å |
| 81 | S | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4.5 | -179.8 | -53.1 | 0 | 0 | 0 | 0 | 113.6 | T56 A77 I78 R79 G247 | T56-S81 WeakPolarHBondContact CB-OG 3.32Å; T56-S81 PolarHBondContact OG1-N 3.22Å; T56-S81 PolarHBondContact OG1-OG 3.27Å; A77-S81 WeakPolarHBondContact O-CB 3.37Å; A77-S81 PolarHBondContact O-N 3.21Å; A77-S81 PolarHBondContact O-OG 2.79Å; I78-S81 WeakPolarHBondContact O-CB 3.16Å; I78-S81 PolarHBondContact O-N 2.8Å; I78-S81 VanDerWaalsContact O-N 3.15Å; R79-S81 PolarHBondContact O-N 3.29Å; S81-G247 CarbonylContact O-C 3.52Å; S81-G247 WeakPolarHBondContact O-CA 3.3Å; S81-G247 PolarHBondContact O-N 2.93Å |
| 82 | I | 89.2 | Confident | 89.1 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119 | 178.1 | -60.8 | 168.1 | 0 | 0 | 0 | 108.2 | R79 K80 T196 L197 I244 F273 P275 | R79-I82 PolarHBondContact O-N 3.01Å; K80-I82 PolarHBondContact O-N 3.33Å; I82-T196 VanDerWaalsContact O-CA 3.29Å; I82-T196 WeakPolarHBondContact O-CA 3.44Å; I82-L197 HydrophobicContact CB-CD1 3.81Å; I82-L197 HydrophobicContact CB-CG 4.28Å; I82-L197 HydrophobicContact CD1-CD1 3.83Å; I82-L197 HydrophobicContact CG1-CD1 4.44Å; I82-L197 HydrophobicContact CG2-CD1 3.57Å; I82-L197 HydrophobicContact CG2-CG 4.05Å; I82-L197 PolarHBondContact O-N 3.01Å; I82-L197 VanDerWaalsContact O-N 3.12Å; I82-I244 HydrophobicContact CG2-CG2 3.84Å; I82-F273 HydrophobicContact CD1-CB 4.01Å; I82-F273 WeakPolarHBondContact CD1-O 3.42Å; I82-P275 HydrophobicContact CG1-CB 4.19Å |
| 83 | G | 90.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 146.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L195 I245 | G83-L195 CarbonylContact C-O 3.59Å; G83-L195 WeakPolarHBondContact CA-O 3.47Å; G83-I245 PolarHBondContact N-O 3.29Å; G83-I245 PolarHBondContact O-N 3.48Å |
| 84 | I | 90.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.7 | 172.9 | -62.5 | 164.4 | 0 | 0 | 0 | 106.5 | I86 T194 L195 L197 L200 M233 A242 | I84-I86 HydrophobicContact CG2-CD1 4.39Å; I84-I86 HydrophobicContact CG2-CG1 3.81Å; I84-T194 CarbonylContact O-C 3.58Å; I84-T194 VanDerWaalsContact O-CA 3.31Å; I84-T194 WeakPolarHBondContact O-CA 3.04Å; I84-L195 PolarHBondContact N-O 3.29Å; I84-L195 PolarHBondContact O-N 2.96Å; I84-L197 HydrophobicContact CD1-CD2 3.39Å; I84-L197 HydrophobicContact CD1-CG 3.74Å; I84-L197 HydrophobicContact CG1-CD2 4.41Å; I84-L197 HydrophobicContact CG1-CG 4.38Å; I84-L200 HydrophobicContact CD1-CD1 3.45Å; I84-L200 VanDerWaalsContact CD1-CD1 3.45Å; I84-M233 HydrophobicContact CB-CE 4.25Å; I84-M233 HydrophobicContact CD1-CE 3.41Å; I84-M233 VanDerWaalsContact CD1-CE 3.41Å; I84-M233 HydrophobicContact CD1-CG 4.13Å; I84-M233 HydrophobicContact CD1-SD 3.4Å; I84-M233 WeakPolarHBondContact CD1-SD 3.44Å; I84-M233 HydrophobicContact CG1-CE 3.63Å; I84-M233 HydrophobicContact CG1-SD 4.29Å; I84-M233 HydrophobicContact CG2-CE 3.56Å; I84-M233 HydrophobicContact CG2-SD 4.33Å; I84-A242 HydrophobicContact CG2-CB 3.91Å |
| 85 | R | 90.7 | Very high | 89.3 | Confident | 67 Ų | 67 | 34.9 Ų | 34.9 | 25% | 0.253 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109.9 | 173.9 | 180 | 177.3 | -65.1 | 176.6 | 2.1 | 108.7 | D52 V192 H193 A242 S243 I245 | D52-R85 VanDerWaalsContact CG-NH2 3.27Å; D52-R85 IonicContact OD2-CZ 2.77Å; D52-R85 IonicContact OD2-NH2 2.74Å; D52-R85 PolarHBondContact OD2-NH2 3.43Å; R85-V192 HydrophobicContact CG-CG1 3.33Å; R85-H193 CarbonylContact C-O 3.59Å; R85-H193 WeakPolarHBondContact CA-O 3.39Å; R85-A242 WeakPolarHBondContact O-CA 3.38Å; R85-S243 PolarHBondContact N-O 3.48Å; R85-S243 PolarHBondContact O-N 2.84Å; R85-I245 HydrophobicContact CB-CD1 3.94Å; R85-I245 HydrophobicContact CB-CG1 4.44Å |
| 86 | I | 89.5 | Confident | 89.4 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 19% | 0.185 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.1 | 175.3 | -54.2 | 178.8 | 0 | 0 | 0 | 106.9 | I84 H193 L195 W236 A242 | I84-I86 HydrophobicContact CG2-CD1 4.39Å; I84-I86 HydrophobicContact CG2-CG1 3.81Å; I86-H193 PolarHBondContact N-O 3.07Å; I86-H193 PolarHBondContact O-N 2.77Å; I86-L195 HydrophobicContact CD1-CD1 4.41Å; I86-W236 HydrophobicContact CD1-CZ3 3.99Å; I86-A242 HydrophobicContact CG1-CB 4.28Å |
| 87 | K | 86.8 | Confident | 89.5 | Confident | 131 Ų | 131 | 35.2 Ų | 35.2 | 57% | 0.57 | 16% | 0.161 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.1 | 171 | -64.4 | -171.9 | 175.9 | -170.9 | 0 | 107.8 | V192 K241 | K87-V192 HydrophobicContact CG-CG2 4.33Å; K87-K241 PolarHBondContact N-O 3.46Å |
| 88 | E | 84.3 | Confident | 89.4 | Confident | 110 Ų | 110 | 36.9 Ų | 36.9 | 51% | 0.514 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.2 | 177.4 | -168 | 172.4 | -173.3 | 0 | 0 | 108.7 | N191 | E88-N191 PolarHBondContact N-O 3.42Å; E88-N191 PolarHBondContact O-N 2.99Å |
| 89 | E | 84.8 | Confident | 89.3 | Confident | 136 Ų | 136 | 41.6 Ų | 41.6 | 64% | 0.636 | 19% | 0.189 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.5 | 173 | -69.5 | 179.8 | -165.6 | 0 | 0 | 108.4 | E190 | E89-E190 HydrophobicContact CG-CG 4.04Å |
| 90 | S | 84 | Confident | 89.2 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.1 | 172.5 | 69.9 | 0 | 0 | 0 | 0 | 111.3 | H189 N191 | S90-H189 PolarHBondContact N-O 3.48Å; S90-H189 PolarHBondContact O-N 3.38Å; S90-N191 PolarHBondContact OG-ND2 2.99Å; S90-N191 VanDerWaalsContact OG-ND2 3.08Å |
| 91 | E | 89 | Confident | 89.1 | Confident | 64 Ų | 64 | 42.1 Ų | 42.1 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 116.8 | 173.2 | -61.6 | -160 | 155.8 | 0 | 0 | 109.5 | K150 Q186 R188 | E91-K150 HydrophobicContact CB-CD 4.2Å; E91-K150 PolarHBondContact O-N 3.33Å; E91-Q186 PolarHBondContact OE2-NE2 2.97Å; E91-R188 HydrophobicContact CG-CG 4.24Å; E91-R188 IonicContact OE1-CZ 2.93Å; E91-R188 IonicContact OE1-NE 3.62Å; E91-R188 PolarHBondContact OE1-NE 3.48Å; E91-R188 VanDerWaalsContact OE1-NE 3.14Å; E91-R188 IonicContact OE1-NH2 2.71Å; E91-R188 PolarHBondContact OE1-NH2 2.68Å |
| 92 | V | 90.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.4 | -172.9 | -178.6 | 0 | 0 | 0 | 0 | 109 | Q94 Q147 I148 Q187 H189 | V92-Q94 HydrophobicContact CG1-CG 3.82Å; V92-Q147 HydrophobicContact CG1-CG 3.23Å; V92-Q147 VanDerWaalsContact CG1-NE2 3.32Å; V92-I148 CarbonylContact C-O 3.55Å; V92-I148 WeakPolarHBondContact CA-O 3.45Å; V92-Q187 PolarHBondContact N-O 3.19Å; V92-Q187 PolarHBondContact O-N 3.1Å; V92-Q187 VanDerWaalsContact O-O 3.13Å; V92-H189 HydrophobicContact CG2-CB 4.04Å |
| 93 | V | 91.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.2 | 172 | -175 | 0 | 0 | 0 | 0 | 109 | L116 Y125 Q147 I148 K150 L185 Q186 | V93-L116 HydrophobicContact CG1-CD1 3.77Å; V93-Y125 HydrophobicContact CG1-CE2 4.16Å; V93-Q147 CarbonylContact O-C 3.34Å; V93-Q147 WeakPolarHBondContact O-CA 3.48Å; V93-I148 HydrophobicContact CB-CB 4.34Å; V93-I148 PolarHBondContact N-O 2.71Å; V93-I148 PolarHBondContact O-N 2.84Å; V93-K150 HydrophobicContact CG2-CD 4.25Å; V93-K150 HydrophobicContact CG2-CG 4.11Å; V93-L185 CarbonylContact C-O 3.58Å; V93-L185 WeakPolarHBondContact CA-O 3.29Å; V93-L185 HydrophobicContact CG1-CB 4.48Å; V93-Q186 HydrophobicContact CG2-CB 4.49Å |
| 94 | Q | 90 | Very high | 88.2 | Confident | 29 Ų | 29 | 58 Ų | 58 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.8 | 178.4 | -61 | -168.4 | 2.5 | 0 | 0 | 110.5 | V92 T118 I146 Q147 L185 H189 | V92-Q94 HydrophobicContact CG1-CG 3.82Å; Q94-T118 WeakPolarHBondContact O-CG2 3.27Å; Q94-I146 WeakPolarHBondContact CA-O 3.31Å; Q94-Q147 HydrophobicContact CG-CB 4.12Å; Q94-Q147 HydrophobicContact CG-CG 3.95Å; Q94-Q147 VanDerWaalsContact NE2-CD 3.35Å; Q94-L185 PolarHBondContact N-O 3.35Å; Q94-L185 WeakPolarHBondContact O-CD2 3.41Å; Q94-H189 PolarHBondContact NE2-CE1 3.4Å; Q94-H189 VanDerWaalsContact NE2-CE1 3.25Å |
| 95 | G | 91.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 160.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | I146 | G95-I146 PolarHBondContact N-O 2.89Å; G95-I146 VanDerWaalsContact N-O 3.15Å; G95-I146 PolarHBondContact O-N 3.47Å |
| 96 | E | 91.3 | Very high | 86.5 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.2 | 165.9 | -178.8 | 179.2 | 157.4 | 0 | 0 | 110 | I98 L116 K117 S161 C180 | E96-I98 PolarHBondContact O-N 2.74Å; E96-L116 CarbonylContact O-C 3.59Å; E96-L116 WeakPolarHBondContact O-CA 3.4Å; E96-K117 PolarHBondContact N-O 3.25Å; E96-K117 PolarHBondContact O-N 3.49Å; E96-S161 VanDerWaalsContact CD-OG 3.3Å; E96-S161 VanDerWaalsContact OE2-CB 3.25Å; E96-S161 WeakPolarHBondContact OE2-CB 3.25Å; E96-S161 PolarHBondContact OE2-OG 2.79Å; E96-C180 PolarHBondContact OE2-SG 3.18Å |
| 97 | V | 91.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 110.8 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | L100 L114 L116 V140 A142 G143 D144 I146 | V97-L100 HydrophobicContact CG1-CB 4.38Å; V97-L114 HydrophobicContact CB-CD1 4.42Å; V97-L114 HydrophobicContact CG1-CD1 3.65Å; V97-L114 HydrophobicContact CG2-CD1 4.08Å; V97-L116 HydrophobicContact CB-CD2 4.42Å; V97-L116 HydrophobicContact CG2-CD2 3.76Å; V97-V140 HydrophobicContact CG2-CG1 3.92Å; V97-A142 CarbonylContact O-C 3.57Å; V97-A142 WeakPolarHBondContact O-CA 3.28Å; V97-G143 PolarHBondContact O-N 3.23Å; V97-D144 WeakPolarHBondContact CG2-O 3.49Å; V97-D144 PolarHBondContact N-O 3.03Å; V97-I146 HydrophobicContact CG2-CD1 3.66Å; V97-I146 HydrophobicContact CG2-CG1 3.79Å; V97-I146 HydrophobicContact CG2-CG2 4.1Å |
| 98 | I | 89.9 | Confident | 84.6 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -51.3 | 172.7 | -63 | 171.7 | 0 | 0 | 0 | 110 | E96 T115 K117 E122 A142 R164 | E96-I98 PolarHBondContact O-N 2.74Å; I98-T115 HydrophobicContact CB-CG2 4.33Å; I98-T115 HydrophobicContact CD1-CG2 4.15Å; I98-T115 PolarHBondContact N-O 3.38Å; I98-K117 HydrophobicContact CD1-CB 3.4Å; I98-K117 HydrophobicContact CD1-CD 3.63Å; I98-K117 HydrophobicContact CD1-CG 4.12Å; I98-K117 HydrophobicContact CG1-CB 3.77Å; I98-K117 HydrophobicContact CG1-CD 4.34Å; I98-E122 VanDerWaalsContact CD1-CD 3.45Å; I98-E122 HydrophobicContact CD1-CG 3.96Å; I98-E122 VanDerWaalsContact CD1-OE1 3.29Å; I98-E122 WeakPolarHBondContact CD1-OE1 3.42Å; I98-A142 WeakPolarHBondContact O-CB 3.47Å; I98-R164 PolarHBondContact O-NH1 2.94Å |
| 99 | F | 89 | Confident | 84.2 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 137.4 | -168.9 | -168.3 | -108.8 | 0 | 0 | 0 | 110.2 | D101 T115 | F99-D101 HydrophobicContact CD1-CB 4.35Å; F99-D101 HydrophobicContact CE1-CB 3.71Å; F99-D101 HydrophobicContact CZ-CB 4.39Å; F99-T115 PolarHBondContact O-N 2.65Å |
| 100 | L | 88.3 | Confident | 84.1 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 111.9 | 178.2 | 174.8 | 65.7 | 0 | 0 | 0 | 107.8 | V97 I102 L114 I127 L135 | V97-L100 HydrophobicContact CG1-CB 4.38Å; L100-I102 HydrophobicContact CD1-CD1 4.42Å; L100-I102 HydrophobicContact CD1-CG1 4.16Å; L100-I102 HydrophobicContact CD2-CD1 4.08Å; L100-I102 HydrophobicContact CG-CD1 4.17Å; L100-I102 HydrophobicContact CG-CG1 4.13Å; L100-L114 HydrophobicContact CD1-CB 4.31Å; L100-L114 HydrophobicContact CD1-CD1 4.07Å; L100-I127 HydrophobicContact CD1-CD1 3.8Å; L100-L135 HydrophobicContact CD1-CD1 3.91Å |
| 101 | D | 88.6 | Confident | 84.1 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.5 | 175.8 | -165.8 | -7.3 | 0 | 0 | 0 | 109.2 | F99 G112 K113 | F99-D101 HydrophobicContact CD1-CB 4.35Å; F99-D101 HydrophobicContact CE1-CB 3.71Å; F99-D101 HydrophobicContact CZ-CB 4.39Å; D101-G112 CarbonylContact O-C 3.43Å; D101-G112 WeakPolarHBondContact O-CA 3.48Å; D101-K113 HydrophobicContact CB-CB 4.42Å; D101-K113 PolarHBondContact N-O 3.29Å; D101-K113 PolarHBondContact O-N 3.14Å |
| 102 | I | 85.8 | Confident | 84 | Confident | 67 Ų | 67 | 61.2 Ų | 61.2 | 34% | 0.344 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 103.3 | 179.9 | -60 | 169.2 | 0 | 0 | 0 | 107.5 | L100 I132 | L100-I102 HydrophobicContact CD1-CD1 4.42Å; L100-I102 HydrophobicContact CD1-CG1 4.16Å; L100-I102 HydrophobicContact CD2-CD1 4.08Å; L100-I102 HydrophobicContact CG-CD1 4.17Å; L100-I102 HydrophobicContact CG-CG1 4.13Å; I102-I132 HydrophobicContact CD1-CG2 4.16Å; I102-I132 HydrophobicContact CG1-CG2 4.45Å; I102-I132 HydrophobicContact CG2-CD1 4.45Å; I102-I132 HydrophobicContact CG2-CG2 3.9Å |
| 103 | T | 84.2 | Confident | 84 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 116.1 | 173.2 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | T111 | T103-T111 CarbonylContact C-O 3.59Å; T103-T111 WeakPolarHBondContact CA-O 3.4Å; T103-T111 PolarHBondContact N-O 3.3Å; T103-T111 PolarHBondContact O-N 3.12Å; T103-T111 VanDerWaalsContact O-N 3.08Å |
| 104 | R | 80.1 | Confident | 84 | Confident | 192 Ų | 192 | 66.6 Ų | 66.6 | 73% | 0.725 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112 | 173.6 | -167.8 | 173.2 | -175.2 | -178.6 | -0.8 | 109 | K110 | R104-K110 HydrophobicContact CG-CG 4.46Å |
| 105 | S | 75.3 | Confident | 84.2 | Confident | 54 Ų | 54 | 66 Ų | 66 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | trans | -70.8 | 147.2 | 172.9 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | T107 G108 G109 | S105-T107 PolarHBondContact O-N 3.49Å; S105-T107 PolarHBondContact OG-N 3.4Å; S105-T107 PolarHBondContact OG-OG1 2.94Å; S105-T107 VanDerWaalsContact OG-OG1 3.06Å; S105-G108 PolarHBondContact O-N 3.48Å; S105-G108 VanDerWaalsContact O-N 3.09Å; S105-G109 WeakPolarHBondContact CB-O 3.35Å; S105-G109 PolarHBondContact N-O 3.41Å | ||
| 106 | L | 70 | Confident | 84.2 | Confident | 188 Ų | 188 | 66 Ų | 66 | 98% | 0.984 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.9 | 174.4 | -69.9 | 156.5 | 0 | 0 | 0 | 112.2 | G108 | L106-G108 VanDerWaalsContact C-N 3.3Å; L106-G108 PolarHBondContact O-N 3.31Å |
| 107 | T | 67.6 | Low | 84.2 | Confident | 129 Ų | 129 | 69.7 Ų | 69.7 | 79% | 0.791 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 10.4 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | S105 | S105-T107 PolarHBondContact O-N 3.49Å; S105-T107 PolarHBondContact OG-N 3.4Å; S105-T107 PolarHBondContact OG-OG1 2.94Å; S105-T107 VanDerWaalsContact OG-OG1 3.06Å |
| 108 | G | 68.7 | Low | 84.1 | Confident | 56 Ų | 56 | 69.9 Ų | 69.9 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 90.3 | -7.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | S105 L106 | S105-G108 PolarHBondContact O-N 3.48Å; S105-G108 VanDerWaalsContact O-N 3.09Å; L106-G108 VanDerWaalsContact C-N 3.3Å; L106-G108 PolarHBondContact O-N 3.31Å |
| 109 | G | 76.2 | Confident | 84 | Confident | 38 Ų | 38 | 74 Ų | 74 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | trans | -70.5 | 126.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S105 | S105-G109 WeakPolarHBondContact CB-O 3.35Å; S105-G109 PolarHBondContact N-O 3.41Å | ||
| 110 | K | 82.6 | Confident | 84 | Confident | 59 Ų | 59 | 74 Ų | 74 | 26% | 0.257 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122 | 170.9 | -59 | -179.3 | -170 | 174.2 | 0 | 109.1 | R104 A129 I132 D133 | R104-K110 HydrophobicContact CG-CG 4.46Å; K110-A129 HydrophobicContact CB-CB 4.3Å; K110-I132 HydrophobicContact CB-CD1 3.87Å; K110-I132 HydrophobicContact CD-CG2 4.2Å; K110-D133 IonicContact NZ-OD1 2.66Å; K110-D133 PolarHBondContact NZ-OD1 3.11Å |
| 111 | T | 84.8 | Confident | 84.1 | Confident | 89 Ų | 89 | 76.4 Ų | 76.4 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.9 | 172.7 | 50.5 | 0 | 0 | 0 | 0 | 108.3 | T103 | T103-T111 CarbonylContact C-O 3.59Å; T103-T111 WeakPolarHBondContact CA-O 3.4Å; T103-T111 PolarHBondContact N-O 3.3Å; T103-T111 PolarHBondContact O-N 3.12Å; T103-T111 VanDerWaalsContact O-N 3.08Å |
| 112 | G | 86.9 | Confident | 84.2 | Confident | 7 Ų | 7 | 78.7 Ų | 78.7 | 7% | 0.072 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 163.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D101 I127 | D101-G112 CarbonylContact O-C 3.43Å; D101-G112 WeakPolarHBondContact O-CA 3.48Å; G112-I127 PolarHBondContact N-O 3.28Å; G112-I127 VanDerWaalsContact N-O 3.12Å; G112-I127 PolarHBondContact O-N 3.43Å |
| 113 | K | 91.1 | Very high | 84.5 | Confident | 118 Ų | 118 | 76.9 Ų | 76.9 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.9 | 171.8 | -63.4 | -168.4 | 172 | -177.5 | 0 | 108.9 | D101 V124 Y125 D126 | D101-K113 HydrophobicContact CB-CB 4.42Å; D101-K113 PolarHBondContact N-O 3.29Å; D101-K113 PolarHBondContact O-N 3.14Å; K113-V124 HydrophobicContact CB-CG1 4.44Å; K113-Y125 WeakPolarHBondContact CA-O 3.25Å; K113-D126 WeakPolarHBondContact CE-OD1 3.49Å; K113-D126 WeakPolarHBondContact CG-OD1 3.47Å |
| 114 | L | 91.2 | Very high | 84.9 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.016 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.1 | 177.9 | 168.9 | 74.9 | 0 | 0 | 0 | 109.8 | V97 L100 L116 Y125 I127 I146 I148 | V97-L114 HydrophobicContact CB-CD1 4.42Å; V97-L114 HydrophobicContact CG1-CD1 3.65Å; V97-L114 HydrophobicContact CG2-CD1 4.08Å; L100-L114 HydrophobicContact CD1-CB 4.31Å; L100-L114 HydrophobicContact CD1-CD1 4.07Å; L114-L116 HydrophobicContact CD1-CD2 4.05Å; L114-L116 HydrophobicContact CD2-CD1 4.11Å; L114-L116 HydrophobicContact CD2-CD2 4.04Å; L114-L116 HydrophobicContact CD2-CG 3.96Å; L114-L116 HydrophobicContact CG-CD2 4.01Å; L114-L116 HydrophobicContact CG-CG 3.97Å; L114-Y125 PolarHBondContact N-O 2.88Å; L114-Y125 PolarHBondContact O-N 3.3Å; L114-I127 HydrophobicContact CB-CD1 3.24Å; L114-I127 HydrophobicContact CB-CG1 3.7Å; L114-I127 HydrophobicContact CD2-CD1 4.15Å; L114-I127 HydrophobicContact CG-CD1 4.22Å; L114-I146 HydrophobicContact CD2-CD1 4.15Å; L114-I148 HydrophobicContact CD2-CD1 3.99Å |
| 115 | T | 92.6 | Very high | 85.3 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 10% | 0.098 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 116 | 174.2 | -50.5 | 0 | 0 | 0 | 0 | 109.2 | I98 F99 E122 A123 V124 | I98-T115 HydrophobicContact CB-CG2 4.33Å; I98-T115 HydrophobicContact CD1-CG2 4.15Å; I98-T115 PolarHBondContact N-O 3.38Å; F99-T115 PolarHBondContact O-N 2.65Å; T115-E122 HydrophobicContact CG2-CG 3.97Å; T115-A123 WeakPolarHBondContact CA-O 3.34Å; T115-V124 HydrophobicContact CG2-CG2 4.12Å |
| 116 | L | 92.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 141.5 | 176.4 | -66.6 | -179.2 | 0 | 0 | 0 | 110.8 | V93 E96 V97 L114 E122 A123 Y125 I146 I148 L185 | V93-L116 HydrophobicContact CG1-CD1 3.77Å; E96-L116 CarbonylContact O-C 3.59Å; E96-L116 WeakPolarHBondContact O-CA 3.4Å; V97-L116 HydrophobicContact CB-CD2 4.42Å; V97-L116 HydrophobicContact CG2-CD2 3.76Å; L114-L116 HydrophobicContact CD1-CD2 4.05Å; L114-L116 HydrophobicContact CD2-CD1 4.11Å; L114-L116 HydrophobicContact CD2-CD2 4.04Å; L114-L116 HydrophobicContact CD2-CG 3.96Å; L114-L116 HydrophobicContact CG-CD2 4.01Å; L114-L116 HydrophobicContact CG-CG 3.97Å; L116-E122 WeakPolarHBondContact O-CA 3.45Å; L116-A123 PolarHBondContact N-O 2.89Å; L116-A123 PolarHBondContact O-N 3.01Å; L116-Y125 HydrophobicContact CB-CD2 4.47Å; L116-Y125 HydrophobicContact CB-CE2 4.32Å; L116-Y125 HydrophobicContact CD1-CD2 4.07Å; L116-Y125 HydrophobicContact CD1-CE2 4.02Å; L116-Y125 HydrophobicContact CG-CD2 4.29Å; L116-Y125 HydrophobicContact CG-CE2 4.46Å; L116-I146 HydrophobicContact CD2-CD1 4.01Å; L116-I146 HydrophobicContact CD2-CG1 4Å; L116-I148 HydrophobicContact CD1-CD1 4.28Å; L116-L185 HydrophobicContact CB-CD2 3.74Å |
| 117 | K | 90.7 | Very high | 87 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 41% | 0.413 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.8 | 177.8 | 176 | 168.8 | 177.3 | 171.9 | 0 | 112.6 | E96 I98 M121 E122 | E96-K117 PolarHBondContact N-O 3.25Å; E96-K117 PolarHBondContact O-N 3.49Å; I98-K117 HydrophobicContact CD1-CB 3.4Å; I98-K117 HydrophobicContact CD1-CD 3.63Å; I98-K117 HydrophobicContact CD1-CG 4.12Å; I98-K117 HydrophobicContact CG1-CB 3.77Å; I98-K117 HydrophobicContact CG1-CD 4.34Å; K117-M121 WeakPolarHBondContact CA-O 3.43Å; K117-E122 HydrophobicContact CB-CG 4.38Å |
| 118 | T | 90.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | trans | -111 | 179.5 | 166.1 | 51 | 0 | 0 | 0 | 0 | 108.3 | Q94 D120 M121 P181 G183 L185 | Q94-T118 WeakPolarHBondContact O-CG2 3.27Å; T118-D120 PolarHBondContact O-N 2.72Å; T118-M121 PolarHBondContact N-O 2.78Å; T118-M121 WeakPolarHBondContact OG1-CA 3.46Å; T118-M121 PolarHBondContact OG1-N 3.48Å; T118-M121 PolarHBondContact OG1-O 3.23Å; T118-P181 WeakPolarHBondContact CA-O 3.29Å; T118-P181 WeakPolarHBondContact CB-O 3.47Å; T118-P181 HydrophobicContact CG2-CG 4.13Å; T118-G183 WeakPolarHBondContact CB-O 3.37Å; T118-G183 PolarHBondContact OG1-O 3.15Å; T118-L185 HydrophobicContact CG2-CB 4.49Å; T118-L185 HydrophobicContact CG2-CD2 3.58Å; T118-L185 HydrophobicContact CG2-CG 3.74Å | ||
| 119 | M | 87.9 | Confident | 88.8 | Confident | 127 Ų | 127 | 62.3 Ų | 62.3 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -60.1 | -31.2 | 172 | -67.9 | -167.7 | 139.9 | 0 | 0 | 112.7 | C180 P181 | M119-C180 HydrophobicContact CG-CB 4.18Å; M119-P181 PolarHBondContact N-O 2.82Å |
| 120 | D | 88.5 | Confident | 89.3 | Confident | 116 Ų | 116 | 68.9 Ų | 68.9 | 62% | 0.62 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -107 | -29.5 | -169.6 | -54.7 | -47.5 | 0 | 0 | 0 | 113.3 | T118 G183 | T118-D120 PolarHBondContact O-N 2.72Å; D120-G183 VanDerWaalsContact OD2-CA 3.25Å; D120-G183 WeakPolarHBondContact OD2-CA 3.33Å; D120-G183 PolarHBondContact OD2-N 3.26Å |
| 121 | M | 89.4 | Confident | 89.5 | Confident | 95 Ų | 95 | 67.8 Ų | 67.8 | 47% | 0.468 | 36% | 0.36 | S | S | . | . | trans | -134.2 | 145.4 | -172.4 | -59.3 | -177.2 | 75.1 | 0 | 0 | 113.1 | K117 T118 E184 L185 | K117-M121 WeakPolarHBondContact CA-O 3.43Å; T118-M121 PolarHBondContact N-O 2.78Å; T118-M121 WeakPolarHBondContact OG1-CA 3.46Å; T118-M121 PolarHBondContact OG1-N 3.48Å; T118-M121 PolarHBondContact OG1-O 3.23Å; M121-E184 HydrophobicContact SD-CB 4.27Å; M121-E184 HydrophobicContact SD-CG 4.19Å; M121-L185 HydrophobicContact CB-CD1 4.03Å; M121-L185 HydrophobicContact CB-CG 4.33Å | ||
| 122 | E | 91.3 | Very high | 89.6 | Confident | 120 Ų | 120 | 63.7 Ų | 63.7 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.5 | 169.5 | -175 | 171.9 | 165.4 | 0 | 0 | 108.9 | I98 T115 L116 K117 | I98-E122 VanDerWaalsContact CD1-CD 3.45Å; I98-E122 HydrophobicContact CD1-CG 3.96Å; I98-E122 VanDerWaalsContact CD1-OE1 3.29Å; I98-E122 WeakPolarHBondContact CD1-OE1 3.42Å; T115-E122 HydrophobicContact CG2-CG 3.97Å; L116-E122 WeakPolarHBondContact O-CA 3.45Å; K117-E122 HydrophobicContact CB-CG 4.38Å |
| 123 | A | 91.7 | Very high | 89.7 | Confident | 29 Ų | 29 | 67 Ų | 67 | 24% | 0.24 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T115 L116 Y125 L185 | T115-A123 WeakPolarHBondContact CA-O 3.34Å; L116-A123 PolarHBondContact N-O 2.89Å; L116-A123 PolarHBondContact O-N 3.01Å; A123-Y125 HydrophobicContact CB-CE2 3.91Å; A123-L185 HydrophobicContact CB-CD1 3.47Å; A123-L185 VanDerWaalsContact CB-CD1 3.47Å |
| 124 | V | 92.7 | Very high | 89.6 | Confident | 93 Ų | 93 | 63.2 Ų | 63.2 | 56% | 0.564 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.1 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | K113 T115 | K113-V124 HydrophobicContact CB-CG1 4.44Å; T115-V124 HydrophobicContact CG2-CG2 4.12Å |
| 125 | Y | 90.4 | Very high | 89.5 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 28% | 0.275 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130 | 177.7 | -67.9 | -83.5 | 0 | 0 | 0 | 110.4 | V93 K113 L114 L116 A123 | V93-Y125 HydrophobicContact CG1-CE2 4.16Å; K113-Y125 WeakPolarHBondContact CA-O 3.25Å; L114-Y125 PolarHBondContact N-O 2.88Å; L114-Y125 PolarHBondContact O-N 3.3Å; L116-Y125 HydrophobicContact CB-CD2 4.47Å; L116-Y125 HydrophobicContact CB-CE2 4.32Å; L116-Y125 HydrophobicContact CD1-CD2 4.07Å; L116-Y125 HydrophobicContact CD1-CE2 4.02Å; L116-Y125 HydrophobicContact CG-CD2 4.29Å; L116-Y125 HydrophobicContact CG-CE2 4.46Å; A123-Y125 HydrophobicContact CB-CE2 3.91Å |
| 126 | D | 90.3 | Very high | 89.3 | Confident | 131 Ų | 131 | 66.8 Ų | 66.8 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.5 | 168.5 | -67 | -41.8 | 0 | 0 | 0 | 109.6 | K113 | K113-D126 WeakPolarHBondContact CE-OD1 3.49Å; K113-D126 WeakPolarHBondContact CG-OD1 3.47Å |
| 127 | I | 89.1 | Confident | 89.1 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 6% | 0.056 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.9 | -173.7 | -45.5 | 167.6 | 0 | 0 | 0 | 110.6 | L100 G112 L114 L131 I132 L135 | L100-I127 HydrophobicContact CD1-CD1 3.8Å; G112-I127 PolarHBondContact N-O 3.28Å; G112-I127 VanDerWaalsContact N-O 3.12Å; G112-I127 PolarHBondContact O-N 3.43Å; L114-I127 HydrophobicContact CB-CD1 3.24Å; L114-I127 HydrophobicContact CB-CG1 3.7Å; L114-I127 HydrophobicContact CD2-CD1 4.15Å; L114-I127 HydrophobicContact CG-CD1 4.22Å; I127-L131 HydrophobicContact CG2-CB 3.24Å; I127-L131 HydrophobicContact CG2-CD1 4.03Å; I127-L131 HydrophobicContact CG2-CG 4.29Å; I127-I132 HydrophobicContact CB-CG1 4.18Å; I127-I132 HydrophobicContact CG2-CG1 3.82Å; I127-L135 HydrophobicContact CD1-CD1 3.59Å |
| 128 | G | 87 | Confident | 88.9 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 45% | 0.454 | 38% | 0.384 | S | S | . | . | trans | -81.2 | 167.6 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | K130 L131 I132 | G128-K130 VanDerWaalsContact C-N 3.32Å; G128-K130 PolarHBondContact O-N 2.89Å; G128-K130 VanDerWaalsContact O-N 3.16Å; G128-L131 PolarHBondContact O-N 3.29Å; G128-I132 WeakPolarHBondContact O-CG1 3.39Å; G128-I132 PolarHBondContact O-N 2.94Å | ||
| 129 | A | 87.7 | Confident | 88.7 | Confident | 45 Ų | 45 | 80.6 Ų | 80.6 | 37% | 0.372 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -53.1 | -40 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K110 I132 D133 | K110-A129 HydrophobicContact CB-CB 4.3Å; A129-I132 PolarHBondContact O-N 3.18Å; A129-D133 PolarHBondContact O-N 3.28Å |
| 130 | K | 86.5 | Confident | 88.6 | Confident | 176 Ų | 176 | 75.2 Ų | 75.2 | 77% | 0.765 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | -178.7 | -67 | -176 | -179.7 | 179.1 | 0 | 113 | G128 I132 D133 E134 | G128-K130 VanDerWaalsContact C-N 3.32Å; G128-K130 PolarHBondContact O-N 2.89Å; G128-K130 VanDerWaalsContact O-N 3.16Å; K130-I132 VanDerWaalsContact C-N 3.35Å; K130-D133 PolarHBondContact O-N 3.05Å; K130-E134 PolarHBondContact O-N 2.9Å |
| 131 | L | 87.1 | Confident | 88.5 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 19% | 0.188 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.8 | -33.9 | 178.9 | -77.9 | 172.7 | 0 | 0 | 0 | 111.1 | I127 G128 D133 E134 L135 I148 N153 I155 | I127-L131 HydrophobicContact CG2-CB 3.24Å; I127-L131 HydrophobicContact CG2-CD1 4.03Å; I127-L131 HydrophobicContact CG2-CG 4.29Å; G128-L131 PolarHBondContact O-N 3.29Å; L131-D133 VanDerWaalsContact C-N 3.33Å; L131-D133 PolarHBondContact O-N 3.28Å; L131-E134 PolarHBondContact O-N 2.71Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 2.89Å; L131-I148 HydrophobicContact CD2-CG2 4.43Å; L131-N153 HydrophobicContact CD2-CB 4.14Å; L131-I155 HydrophobicContact CD2-CD1 3.99Å; L131-I155 HydrophobicContact CD2-CG1 4.1Å |
| 132 | I | 87.7 | Confident | 88.4 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 173.4 | -64.9 | 167.4 | 0 | 0 | 0 | 110.5 | I102 K110 I127 G128 A129 K130 E134 L135 V136 | I102-I132 HydrophobicContact CD1-CG2 4.16Å; I102-I132 HydrophobicContact CG1-CG2 4.45Å; I102-I132 HydrophobicContact CG2-CD1 4.45Å; I102-I132 HydrophobicContact CG2-CG2 3.9Å; K110-I132 HydrophobicContact CB-CD1 3.87Å; K110-I132 HydrophobicContact CD-CG2 4.2Å; I127-I132 HydrophobicContact CB-CG1 4.18Å; I127-I132 HydrophobicContact CG2-CG1 3.82Å; G128-I132 WeakPolarHBondContact O-CG1 3.39Å; G128-I132 PolarHBondContact O-N 2.94Å; A129-I132 PolarHBondContact O-N 3.18Å; K130-I132 VanDerWaalsContact C-N 3.35Å; I132-E134 VanDerWaalsContact C-N 3.31Å; I132-E134 PolarHBondContact O-N 3.25Å; I132-L135 PolarHBondContact O-N 3.15Å; I132-V136 HydrophobicContact CG2-CG2 4.36Å; I132-V136 WeakPolarHBondContact O-CB 3.44Å; I132-V136 VanDerWaalsContact O-CG2 3.25Å; I132-V136 WeakPolarHBondContact O-CG2 3.16Å; I132-V136 PolarHBondContact O-N 3.41Å |
| 133 | D | 88 | Confident | 88.1 | Confident | 77 Ų | 77 | 65 Ų | 65 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 178.1 | -68.9 | -26.5 | 0 | 0 | 0 | 111.8 | K110 A129 K130 L131 K137 | K110-D133 IonicContact NZ-OD1 2.66Å; K110-D133 PolarHBondContact NZ-OD1 3.11Å; A129-D133 PolarHBondContact O-N 3.28Å; K130-D133 PolarHBondContact O-N 3.05Å; L131-D133 VanDerWaalsContact C-N 3.33Å; L131-D133 PolarHBondContact O-N 3.28Å; D133-K137 VanDerWaalsContact O-CB 3.29Å; D133-K137 WeakPolarHBondContact O-CB 3.5Å; D133-K137 PolarHBondContact O-N 3.05Å |
| 134 | E | 88.7 | Confident | 88 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.6 | -37.1 | 175.8 | -161.5 | 63.1 | -160.6 | 0 | 0 | 112.4 | K130 L131 I132 K137 Q138 I155 | K130-E134 PolarHBondContact O-N 2.9Å; L131-E134 PolarHBondContact O-N 2.71Å; I132-E134 VanDerWaalsContact C-N 3.31Å; I132-E134 PolarHBondContact O-N 3.25Å; E134-K137 PolarHBondContact O-N 3.11Å; E134-K137 IonicContact OE1-NZ 3.19Å; E134-K137 IonicContact OE2-NZ 2.71Å; E134-Q138 WeakPolarHBondContact O-CG 3.19Å; E134-Q138 PolarHBondContact O-N 2.77Å; E134-I155 HydrophobicContact CB-CD1 4.34Å; E134-I155 HydrophobicContact CG-CB 4.27Å; E134-I155 HydrophobicContact CG-CG1 4.34Å |
| 135 | L | 89.4 | Confident | 87.9 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 172.5 | -75.9 | 172.4 | 0 | 0 | 0 | 111.8 | L100 I127 L131 I132 K137 Q138 K139 V140 I146 I155 | L100-L135 HydrophobicContact CD1-CD1 3.91Å; I127-L135 HydrophobicContact CD1-CD1 3.59Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 2.89Å; I132-L135 PolarHBondContact O-N 3.15Å; L135-K137 VanDerWaalsContact C-N 3.35Å; L135-Q138 PolarHBondContact O-N 2.85Å; L135-K139 PolarHBondContact O-N 3Å; L135-V140 HydrophobicContact CD2-CB 3.94Å; L135-V140 HydrophobicContact CD2-CG1 4.19Å; L135-V140 HydrophobicContact CD2-CG2 3.74Å; L135-V140 PolarHBondContact O-N 2.98Å; L135-I146 HydrophobicContact CD2-CD1 4.28Å; L135-I155 HydrophobicContact CB-CD1 4.44Å; L135-I155 HydrophobicContact CD1-CD1 4.4Å; L135-I155 HydrophobicContact CD2-CD1 3.44Å; L135-I155 VanDerWaalsContact CD2-CD1 3.44Å; L135-I155 HydrophobicContact CD2-CG2 4.18Å; L135-I155 HydrophobicContact CG-CD1 3.43Å; L135-I155 VanDerWaalsContact CG-CD1 3.43Å |
| 136 | V | 88.1 | Confident | 88 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | I132 Q138 K139 | I132-V136 HydrophobicContact CG2-CG2 4.36Å; I132-V136 WeakPolarHBondContact O-CB 3.44Å; I132-V136 VanDerWaalsContact O-CG2 3.25Å; I132-V136 WeakPolarHBondContact O-CG2 3.16Å; I132-V136 PolarHBondContact O-N 3.41Å; V136-Q138 PolarHBondContact O-N 3.34Å; V136-K139 PolarHBondContact O-N 3.22Å |
| 137 | K | 89.1 | Confident | 88 | Confident | 146 Ų | 146 | 52.1 Ų | 52.1 | 64% | 0.635 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.1 | -39.8 | 176.9 | -173.5 | -178 | 174.7 | -168.1 | 0 | 112.5 | D133 E134 L135 K139 | D133-K137 VanDerWaalsContact O-CB 3.29Å; D133-K137 WeakPolarHBondContact O-CB 3.5Å; D133-K137 PolarHBondContact O-N 3.05Å; E134-K137 PolarHBondContact O-N 3.11Å; E134-K137 IonicContact OE1-NZ 3.19Å; E134-K137 IonicContact OE2-NZ 2.71Å; L135-K137 VanDerWaalsContact C-N 3.35Å; K137-K139 VanDerWaalsContact C-N 3.3Å |
| 138 | Q | 85.4 | Confident | 88.1 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 35% | 0.346 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -81.8 | -4.9 | 176.7 | -64.6 | -62.7 | -24.2 | 0 | 0 | 113.7 | E134 L135 V136 V140 | E134-Q138 WeakPolarHBondContact O-CG 3.19Å; E134-Q138 PolarHBondContact O-N 2.77Å; L135-Q138 PolarHBondContact O-N 2.85Å; V136-Q138 PolarHBondContact O-N 3.34Å; Q138-V140 HydrophobicContact CB-CG2 3.97Å; Q138-V140 PolarHBondContact O-N 3.47Å |
| 139 | K | 86 | Confident | 88.2 | Confident | 169 Ų | 169 | 52.4 Ų | 52.4 | 74% | 0.735 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 52.1 | -177.2 | -60.4 | -178.1 | 178.9 | -178.9 | 0 | 112.4 | L135 V136 K137 | L135-K139 PolarHBondContact O-N 3Å; V136-K139 PolarHBondContact O-N 3.22Å; K137-K139 VanDerWaalsContact C-N 3.3Å |
| 140 | V | 86.6 | Confident | 88.1 | Confident | 14 Ų | 14 | 54 Ų | 54 | 9% | 0.085 | 27% | 0.268 | C | S | . | . | trans | -71.8 | 131.4 | 178.4 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | V97 L135 Q138 D144 I146 | V97-V140 HydrophobicContact CG2-CG1 3.92Å; L135-V140 HydrophobicContact CD2-CB 3.94Å; L135-V140 HydrophobicContact CD2-CG1 4.19Å; L135-V140 HydrophobicContact CD2-CG2 3.74Å; L135-V140 PolarHBondContact O-N 2.98Å; Q138-V140 HydrophobicContact CB-CG2 3.97Å; Q138-V140 PolarHBondContact O-N 3.47Å; V140-D144 WeakPolarHBondContact CA-OD2 3.4Å; V140-D144 HydrophobicContact CG1-CB 4.16Å; V140-I146 HydrophobicContact CG1-CG2 3.73Å; V140-I146 HydrophobicContact CG2-CG2 4.09Å | ||
| 141 | V | 85.6 | Confident | 88 | Confident | 73 Ų | 73 | 49.5 Ų | 49.5 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | trans | -119.5 | 154.9 | 179 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | G143 D144 | V141-G143 PolarHBondContact O-N 3.4Å; V141-D144 PolarHBondContact N-OD2 2.71Å; V141-D144 WeakPolarHBondContact O-CB 3.42Å; V141-D144 PolarHBondContact O-N 2.73Å | ||
| 142 | A | 87.5 | Confident | 87.7 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 119.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V97 I98 R164 | V97-A142 CarbonylContact O-C 3.57Å; V97-A142 WeakPolarHBondContact O-CA 3.28Å; I98-A142 WeakPolarHBondContact O-CB 3.47Å; A142-R164 VanDerWaalsContact C-NH1 3.27Å; A142-R164 PolarHBondContact O-NH1 3.48Å |
| 143 | G | 85.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 109.3 | -7.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V97 V141 S161 | V97-G143 PolarHBondContact O-N 3.23Å; V141-G143 PolarHBondContact O-N 3.4Å; G143-S161 VanDerWaalsContact O-CB 3.32Å; G143-S161 WeakPolarHBondContact O-CB 3.48Å; G143-S161 PolarHBondContact O-N 2.91Å |
| 144 | D | 89.3 | Confident | 87.5 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.032 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 143.2 | 171.2 | -69.5 | -27.7 | 0 | 0 | 0 | 111.3 | V97 V140 V141 I146 K157 G159 V160 | V97-D144 WeakPolarHBondContact CG2-O 3.49Å; V97-D144 PolarHBondContact N-O 3.03Å; V140-D144 WeakPolarHBondContact CA-OD2 3.4Å; V140-D144 HydrophobicContact CG1-CB 4.16Å; V141-D144 PolarHBondContact N-OD2 2.71Å; V141-D144 WeakPolarHBondContact O-CB 3.42Å; V141-D144 PolarHBondContact O-N 2.73Å; D144-I146 HydrophobicContact CB-CG2 4.3Å; D144-K157 WeakPolarHBondContact OD1-CE 3.12Å; D144-K157 IonicContact OD1-NZ 3.99Å; D144-K157 PolarHBondContact OD1-NZ 3.4Å; D144-K157 WeakPolarHBondContact OD2-CE 3.5Å; D144-K157 IonicContact OD2-NZ 3.99Å; D144-K157 PolarHBondContact OD2-NZ 2.81Å; D144-G159 CarbonylContact C-O 3.54Å; D144-G159 WeakPolarHBondContact CA-O 3.35Å; D144-V160 WeakPolarHBondContact OD1-CG2 3.42Å |
| 145 | V | 90.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 118.5 | 167.2 | -175.6 | 0 | 0 | 0 | 0 | 108 | L158 G159 P181 | V145-L158 HydrophobicContact CB-CB 4.48Å; V145-L158 HydrophobicContact CG1-CB 4.35Å; V145-L158 HydrophobicContact CG1-CD1 4.14Å; V145-L158 PolarHBondContact O-N 2.89Å; V145-G159 PolarHBondContact N-O 3.31Å; V145-G159 PolarHBondContact O-N 2.96Å; V145-P181 HydrophobicContact CG1-CG 4.33Å |
| 146 | I | 92.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 151.1 | -178.7 | 66.1 | 172.8 | 0 | 0 | 0 | 111.3 | Q94 G95 V97 L114 L116 L135 V140 D144 I148 I155 | Q94-I146 WeakPolarHBondContact CA-O 3.31Å; G95-I146 PolarHBondContact N-O 2.89Å; G95-I146 VanDerWaalsContact N-O 3.15Å; G95-I146 PolarHBondContact O-N 3.47Å; V97-I146 HydrophobicContact CG2-CD1 3.66Å; V97-I146 HydrophobicContact CG2-CG1 3.79Å; V97-I146 HydrophobicContact CG2-CG2 4.1Å; L114-I146 HydrophobicContact CD2-CD1 4.15Å; L116-I146 HydrophobicContact CD2-CD1 4.01Å; L116-I146 HydrophobicContact CD2-CG1 4Å; L135-I146 HydrophobicContact CD2-CD1 4.28Å; V140-I146 HydrophobicContact CG1-CG2 3.73Å; V140-I146 HydrophobicContact CG2-CG2 4.09Å; D144-I146 HydrophobicContact CB-CG2 4.3Å; I146-I148 HydrophobicContact CD1-CD1 3.95Å; I146-I148 HydrophobicContact CD1-CG1 4.09Å; I146-I148 HydrophobicContact CG1-CG1 4.44Å; I146-I155 HydrophobicContact CB-CG2 4.21Å; I146-I155 HydrophobicContact CD1-CG2 4.33Å; I146-I155 HydrophobicContact CG2-CG2 4.48Å |
| 147 | Q | 91 | Very high | 87.6 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.6 | 172 | 173.1 | 176.4 | -10.6 | 0 | 0 | 108.3 | V92 V93 Q94 I155 T156 L158 | V92-Q147 HydrophobicContact CG1-CG 3.23Å; V92-Q147 VanDerWaalsContact CG1-NE2 3.32Å; V93-Q147 CarbonylContact O-C 3.34Å; V93-Q147 WeakPolarHBondContact O-CA 3.48Å; Q94-Q147 HydrophobicContact CG-CB 4.12Å; Q94-Q147 HydrophobicContact CG-CG 3.95Å; Q94-Q147 VanDerWaalsContact NE2-CD 3.35Å; Q147-I155 WeakPolarHBondContact O-CA 3.05Å; Q147-T156 WeakPolarHBondContact CB-OG1 3.28Å; Q147-T156 PolarHBondContact N-O 2.73Å; Q147-T156 PolarHBondContact O-N 3.1Å; Q147-T156 PolarHBondContact O-OG1 3.46Å; Q147-L158 HydrophobicContact CB-CD1 4.07Å; Q147-L158 HydrophobicContact CB-CD2 4.5Å; Q147-L158 HydrophobicContact CB-CG 4.16Å |
| 148 | I | 91.4 | Very high | 87.5 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.2 | 179.9 | -53.7 | 177.5 | 0 | 0 | 0 | 108 | V92 V93 L114 L116 L131 I146 I155 | V92-I148 CarbonylContact C-O 3.55Å; V92-I148 WeakPolarHBondContact CA-O 3.45Å; V93-I148 HydrophobicContact CB-CB 4.34Å; V93-I148 PolarHBondContact N-O 2.71Å; V93-I148 PolarHBondContact O-N 2.84Å; L114-I148 HydrophobicContact CD2-CD1 3.99Å; L116-I148 HydrophobicContact CD1-CD1 4.28Å; L131-I148 HydrophobicContact CD2-CG2 4.43Å; I146-I148 HydrophobicContact CD1-CD1 3.95Å; I146-I148 HydrophobicContact CD1-CG1 4.09Å; I146-I148 HydrophobicContact CG1-CG1 4.44Å; I148-I155 HydrophobicContact CG1-CG1 4.27Å; I148-I155 HydrophobicContact CG1-CG2 4.43Å |
| 149 | D | 89.1 | Confident | 87.6 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.5 | 168.8 | -172.4 | -27.1 | 0 | 0 | 0 | 109.1 | A151 A152 N153 K154 | D149-A151 VanDerWaalsContact C-N 3.3Å; D149-A151 PolarHBondContact O-N 3.37Å; D149-A151 PolarHBondContact OD1-N 3.42Å; D149-A152 HydrophobicContact CB-CB 4.14Å; D149-A152 PolarHBondContact OD1-N 3.42Å; D149-N153 WeakPolarHBondContact O-CA 3.49Å; D149-N153 PolarHBondContact O-N 3.06Å; D149-K154 PolarHBondContact N-O 2.97Å; D149-K154 VanDerWaalsContact N-O 3.07Å |
| 150 | K | 85.9 | Confident | 87.5 | Confident | 80 Ų | 80 | 42.4 Ų | 42.4 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -33.1 | -177.3 | -68.3 | -170.6 | 177.5 | -170.5 | 0 | 112.5 | E91 V93 | E91-K150 HydrophobicContact CB-CD 4.2Å; E91-K150 PolarHBondContact O-N 3.33Å; V93-K150 HydrophobicContact CG2-CD 4.25Å; V93-K150 HydrophobicContact CG2-CG 4.11Å |
| 151 | A | 84.3 | Confident | 87.3 | Confident | 81 Ų | 81 | 41.8 Ų | 41.8 | 67% | 0.669 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -47.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D149 | D149-A151 VanDerWaalsContact C-N 3.3Å; D149-A151 PolarHBondContact O-N 3.37Å; D149-A151 PolarHBondContact OD1-N 3.42Å |
| 152 | A | 80.8 | Confident | 86.7 | Confident | 62 Ų | 62 | 41 Ų | 41 | 51% | 0.512 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -14.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D149 K154 | D149-A152 HydrophobicContact CB-CB 4.14Å; D149-A152 PolarHBondContact OD1-N 3.42Å; A152-K154 HydrophobicContact CB-CB 4.07Å; A152-K154 PolarHBondContact O-N 3.16Å |
| 153 | N | 83.2 | Confident | 85.9 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 36.2 | -168.9 | -67 | -74.1 | 0 | 0 | 0 | 112.5 | L131 D149 | L131-N153 HydrophobicContact CD2-CB 4.14Å; D149-N153 WeakPolarHBondContact O-CA 3.49Å; D149-N153 PolarHBondContact O-N 3.06Å |
| 154 | K | 87.3 | Confident | 84.9 | Confident | 124 Ų | 124 | 47.5 Ų | 47.5 | 54% | 0.539 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.2 | -177.7 | -172.4 | 177.5 | 179.6 | -177.6 | 0 | 109.4 | D149 A152 | D149-K154 PolarHBondContact N-O 2.97Å; D149-K154 VanDerWaalsContact N-O 3.07Å; A152-K154 HydrophobicContact CB-CB 4.07Å; A152-K154 PolarHBondContact O-N 3.16Å |
| 155 | I | 90.5 | Very high | 83.5 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.8 | -179 | -52.9 | 179.1 | 0 | 0 | 0 | 108.5 | L131 E134 L135 I146 Q147 I148 | L131-I155 HydrophobicContact CD2-CD1 3.99Å; L131-I155 HydrophobicContact CD2-CG1 4.1Å; E134-I155 HydrophobicContact CB-CD1 4.34Å; E134-I155 HydrophobicContact CG-CB 4.27Å; E134-I155 HydrophobicContact CG-CG1 4.34Å; L135-I155 HydrophobicContact CB-CD1 4.44Å; L135-I155 HydrophobicContact CD1-CD1 4.4Å; L135-I155 HydrophobicContact CD2-CD1 3.44Å; L135-I155 VanDerWaalsContact CD2-CD1 3.44Å; L135-I155 HydrophobicContact CD2-CG2 4.18Å; L135-I155 HydrophobicContact CG-CD1 3.43Å; L135-I155 VanDerWaalsContact CG-CD1 3.43Å; I146-I155 HydrophobicContact CB-CG2 4.21Å; I146-I155 HydrophobicContact CD1-CG2 4.33Å; I146-I155 HydrophobicContact CG2-CG2 4.48Å; Q147-I155 WeakPolarHBondContact O-CA 3.05Å; I148-I155 HydrophobicContact CG1-CG1 4.27Å; I148-I155 HydrophobicContact CG1-CG2 4.43Å |
| 156 | T | 89.3 | Confident | 81.8 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.5 | 174.6 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | Q147 L158 | Q147-T156 WeakPolarHBondContact CB-OG1 3.28Å; Q147-T156 PolarHBondContact N-O 2.73Å; Q147-T156 PolarHBondContact O-N 3.1Å; Q147-T156 PolarHBondContact O-OG1 3.46Å; T156-L158 PolarHBondContact O-N 3.43Å |
| 157 | K | 89.2 | Confident | 80.2 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 111.2 | 173.6 | -179.9 | 170.6 | 172.8 | 159.8 | 0 | 108.7 | D144 | D144-K157 WeakPolarHBondContact OD1-CE 3.12Å; D144-K157 IonicContact OD1-NZ 3.99Å; D144-K157 PolarHBondContact OD1-NZ 3.4Å; D144-K157 WeakPolarHBondContact OD2-CE 3.5Å; D144-K157 IonicContact OD2-NZ 3.99Å; D144-K157 PolarHBondContact OD2-NZ 2.81Å |
| 158 | L | 88 | Confident | 78.6 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -39.7 | 179.7 | -66.3 | 177.8 | 0 | 0 | 0 | 111.2 | V145 Q147 T156 | V145-L158 HydrophobicContact CB-CB 4.48Å; V145-L158 HydrophobicContact CG1-CB 4.35Å; V145-L158 HydrophobicContact CG1-CD1 4.14Å; V145-L158 PolarHBondContact O-N 2.89Å; Q147-L158 HydrophobicContact CB-CD1 4.07Å; Q147-L158 HydrophobicContact CB-CD2 4.5Å; Q147-L158 HydrophobicContact CB-CG 4.16Å; T156-L158 PolarHBondContact O-N 3.43Å |
| 159 | G | 87 | Confident | 76.8 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | -166.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | D144 V145 K176 | D144-G159 CarbonylContact C-O 3.54Å; D144-G159 WeakPolarHBondContact CA-O 3.35Å; V145-G159 PolarHBondContact N-O 3.31Å; V145-G159 PolarHBondContact O-N 2.96Å; G159-K176 CarbonylContact C-O 3.58Å; G159-K176 WeakPolarHBondContact CA-O 3.39Å |
| 160 | V | 83.6 | Confident | 75.4 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 7% | 0.073 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.7 | 174.3 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | D144 V175 K176 V177 V178 | D144-V160 WeakPolarHBondContact OD1-CG2 3.42Å; V160-V175 HydrophobicContact CB-CG1 4.05Å; V160-V175 HydrophobicContact CG2-CG1 3.35Å; V160-K176 PolarHBondContact N-O 3.32Å; V160-V177 CarbonylContact O-C 3.53Å; V160-V177 WeakPolarHBondContact O-CA 3.06Å; V160-V178 PolarHBondContact O-N 3.47Å |
| 161 | S | 81.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 135.7 | 176.9 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | E96 G143 T163 R164 S165 V178 C180 | E96-S161 VanDerWaalsContact CD-OG 3.3Å; E96-S161 VanDerWaalsContact OE2-CB 3.25Å; E96-S161 WeakPolarHBondContact OE2-CB 3.25Å; E96-S161 PolarHBondContact OE2-OG 2.79Å; G143-S161 VanDerWaalsContact O-CB 3.32Å; G143-S161 WeakPolarHBondContact O-CB 3.48Å; G143-S161 PolarHBondContact O-N 2.91Å; S161-T163 PolarHBondContact O-N 3.31Å; S161-T163 VanDerWaalsContact O-N 3.16Å; S161-R164 PolarHBondContact O-N 3.34Å; S161-S165 PolarHBondContact O-N 3.13Å; S161-S165 VanDerWaalsContact O-N 3.08Å; S161-V178 WeakPolarHBondContact CA-O 3.43Å; S161-C180 PolarHBondContact OG-SG 3.15Å; S161-C180 VanDerWaalsContact OG-SG 3.4Å |
| 162 | S | 74.6 | Confident | 73.4 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.3 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | S165 V178 | S162-S165 PolarHBondContact O-OG 2.85Å; S162-V178 PolarHBondContact N-O 3.47Å |
| 163 | T | 70.6 | Confident | 72.7 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 61% | 0.613 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -32.2 | -177 | -42.9 | 0 | 0 | 0 | 0 | 111.8 | S161 | S161-T163 PolarHBondContact O-N 3.31Å; S161-T163 VanDerWaalsContact O-N 3.16Å |
| 164 | R | 64.7 | Low | 72 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -4.5 | -179.5 | -71.8 | -172.9 | 178.1 | -177.6 | 4.5 | 113.8 | I98 A142 S161 V166 D167 | I98-R164 PolarHBondContact O-NH1 2.94Å; A142-R164 VanDerWaalsContact C-NH1 3.27Å; A142-R164 PolarHBondContact O-NH1 3.48Å; S161-R164 PolarHBondContact O-N 3.34Å; R164-V166 PolarHBondContact O-N 2.96Å; R164-V166 VanDerWaalsContact O-N 3.16Å; R164-D167 PolarHBondContact O-N 3.39Å |
| 165 | S | 58 | Low | 71.3 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18.9 | 174.5 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | S161 S162 D167 F168 | S161-S165 PolarHBondContact O-N 3.13Å; S161-S165 VanDerWaalsContact O-N 3.08Å; S162-S165 PolarHBondContact O-OG 2.85Å; S165-D167 VanDerWaalsContact C-N 3.32Å; S165-F168 PolarHBondContact O-N 3.37Å |
| 166 | V | 57 | Low | 70.7 | Confident | 104 Ų | 104 | 82 Ų | 82 | 63% | 0.63 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -32.2 | 177.9 | -170.9 | 0 | 0 | 0 | 0 | 112 | R164 F168 | R164-V166 PolarHBondContact O-N 2.96Å; R164-V166 VanDerWaalsContact O-N 3.16Å; V166-F168 VanDerWaalsContact C-N 3.33Å |
| 167 | D | 58.3 | Low | 70.3 | Confident | 132 Ų | 132 | 83 Ų | 83 | 71% | 0.706 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -20.6 | -177.9 | -63.9 | -28.8 | 0 | 0 | 0 | 112.5 | R164 S165 Q169 | R164-D167 PolarHBondContact O-N 3.39Å; S165-D167 VanDerWaalsContact C-N 3.32Å; D167-Q169 PolarHBondContact O-N 3.1Å |
| 168 | F | 57.1 | Low | 70.2 | Confident | 110 Ų | 110 | 81.4 Ų | 81.4 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | trans | -99.5 | 77.3 | 175.8 | -75.7 | -85.6 | 0 | 0 | 0 | 110.4 | S165 V166 A170 L171 | S165-F168 PolarHBondContact O-N 3.37Å; V166-F168 VanDerWaalsContact C-N 3.33Å; F168-A170 PolarHBondContact O-N 3.11Å; F168-L171 HydrophobicContact CB-CD2 4.03Å; F168-L171 HydrophobicContact CB-CG 4.08Å; F168-L171 WeakPolarHBondContact O-CG 3.42Å | ||
| 169 | Q | 53.3 | Low | 70 | Confident | 193 Ų | 193 | 82.3 Ų | 82.3 | 90% | 0.902 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -3.6 | 175.3 | -69.3 | -178.3 | -1.2 | 0 | 0 | 114.3 | D167 | D167-Q169 PolarHBondContact O-N 3.1Š|
| 170 | A | 59.2 | Low | 69.8 | Low | 94 Ų | 94 | 83.3 Ų | 83.3 | 78% | 0.777 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 54.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F168 G172 | F168-A170 PolarHBondContact O-N 3.11Å; A170-G172 PolarHBondContact O-N 3.14Å |
| 171 | L | 63.2 | Low | 69.9 | Low | 69 Ų | 69 | 83.7 Ų | 83.7 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | trans | -67.9 | 122.8 | 171.2 | -71.6 | 163.2 | 0 | 0 | 0 | 110.1 | F168 V175 V177 | F168-L171 HydrophobicContact CB-CD2 4.03Å; F168-L171 HydrophobicContact CB-CG 4.08Å; F168-L171 WeakPolarHBondContact O-CG 3.42Å; L171-V175 HydrophobicContact CD2-CB 3.97Å; L171-V175 HydrophobicContact CD2-CG1 3.7Å; L171-V175 HydrophobicContact CD2-CG2 4.2Å; L171-V177 HydrophobicContact CD1-CG2 4.46Å | ||
| 172 | G | 65.3 | Low | 70.1 | Confident | 37 Ų | 37 | 87.5 Ų | 87.5 | 38% | 0.381 | 51% | 0.508 | S | S | . | . | trans | -64.9 | 157.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A170 N174 V175 | A170-G172 PolarHBondContact O-N 3.14Å; G172-N174 PolarHBondContact O-N 3.33Å; G172-V175 PolarHBondContact O-N 3.36Å; G172-V175 VanDerWaalsContact O-N 3.07Å | ||
| 173 | P | 65.3 | Low | 70.7 | Confident | 137 Ų | 137 | 86 Ų | 86 | 89% | 0.89 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.6 | -174.7 | 24.9 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 174 | N | 69.1 | Low | 71.5 | Confident | 155 Ų | 155 | 87.7 Ų | 87.7 | 83% | 0.829 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -3.2 | -178.6 | -67 | -17.6 | 0 | 0 | 0 | 113.9 | G172 K176 | G172-N174 PolarHBondContact O-N 3.33Å; N174-K176 PolarHBondContact O-N 3.3Å |
| 175 | V | 72.1 | Confident | 72.6 | Confident | 56 Ų | 56 | 84.1 Ų | 84.1 | 34% | 0.339 | 49% | 0.489 | S | S | . | . | trans | -86.8 | 110.7 | -177.4 | -172 | 0 | 0 | 0 | 0 | 109.9 | V160 L171 G172 | V160-V175 HydrophobicContact CB-CG1 4.05Å; V160-V175 HydrophobicContact CG2-CG1 3.35Å; L171-V175 HydrophobicContact CD2-CB 3.97Å; L171-V175 HydrophobicContact CD2-CG1 3.7Å; L171-V175 HydrophobicContact CD2-CG2 4.2Å; G172-V175 PolarHBondContact O-N 3.36Å; G172-V175 VanDerWaalsContact O-N 3.07Å | ||
| 176 | K | 78.7 | Confident | 74 | Confident | 156 Ų | 156 | 86.2 Ų | 86.2 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | trans | -77.9 | 126.9 | 173 | -66.2 | -177.9 | 179.9 | 179.7 | 0 | 109.4 | G159 V160 N174 V178 | G159-K176 CarbonylContact C-O 3.58Å; G159-K176 WeakPolarHBondContact CA-O 3.39Å; V160-K176 PolarHBondContact N-O 3.32Å; N174-K176 PolarHBondContact O-N 3.3Å; K176-V178 HydrophobicContact CB-CG2 4.45Å | ||
| 177 | V | 81.5 | Confident | 75.4 | Confident | 79 Ų | 79 | 83.9 Ų | 83.9 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 124.2 | 170.8 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | V160 L171 | V160-V177 CarbonylContact O-C 3.53Å; V160-V177 WeakPolarHBondContact O-CA 3.06Å; L171-V177 HydrophobicContact CD1-CG2 4.46Å |
| 178 | V | 85.4 | Confident | 76.8 | Confident | 45 Ų | 45 | 86.2 Ų | 86.2 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140 | -176.7 | -178.1 | 0 | 0 | 0 | 0 | 108 | V160 S161 S162 K176 | V160-V178 PolarHBondContact O-N 3.47Å; S161-V178 WeakPolarHBondContact CA-O 3.43Å; S162-V178 PolarHBondContact N-O 3.47Å; K176-V178 HydrophobicContact CB-CG2 4.45Å |
| 179 | S | 85 | Confident | 78 | Confident | 83 Ų | 83 | 83.4 Ų | 83.4 | 58% | 0.58 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 153.6 | 174.4 | 51 | 0 | 0 | 0 | 0 | 111.1 | ||
| 180 | C | 81.8 | Confident | 79.5 | Confident | 24 Ų | 24 | 80.3 Ų | 80.3 | 16% | 0.162 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 130.9 | 172.2 | -51.3 | 0 | 0 | 0 | 0 | 109.9 | E96 M119 S161 | E96-C180 PolarHBondContact OE2-SG 3.18Å; M119-C180 HydrophobicContact CG-CB 4.18Å; S161-C180 PolarHBondContact OG-SG 3.15Å; S161-C180 VanDerWaalsContact OG-SG 3.4Å |
| 181 | P | 85.7 | Confident | 80.7 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 13% | 0.13 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 139.5 | 175.9 | 23.9 | -30.3 | 0 | 0 | 0 | 110.5 | T118 M119 V145 | T118-P181 WeakPolarHBondContact CA-O 3.29Å; T118-P181 WeakPolarHBondContact CB-O 3.47Å; T118-P181 HydrophobicContact CG2-CG 4.13Å; M119-P181 PolarHBondContact N-O 2.82Å; V145-P181 HydrophobicContact CG1-CG 4.33Å |
| 182 | S | 86.6 | Confident | 81.7 | Confident | 80 Ų | 80 | 79 Ų | 79 | 56% | 0.559 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -97.2 | 157.6 | 173.1 | 56.2 | 0 | 0 | 0 | 0 | 111 | ||
| 183 | G | 86.6 | Confident | 82.8 | Confident | 26 Ų | 26 | 81.4 Ų | 81.4 | 27% | 0.268 | 44% | 0.435 | S | S | . | . | S | Bend | trans | 89.3 | -165.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T118 D120 | T118-G183 WeakPolarHBondContact CB-O 3.37Å; T118-G183 PolarHBondContact OG1-O 3.15Å; D120-G183 VanDerWaalsContact OD2-CA 3.25Å; D120-G183 WeakPolarHBondContact OD2-CA 3.33Å; D120-G183 PolarHBondContact OD2-N 3.26Å |
| 184 | E | 88.5 | Confident | 83.8 | Confident | 134 Ų | 134 | 77.9 Ų | 77.9 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | trans | -66.2 | 143.3 | -179.5 | -61.7 | -176.6 | 175.5 | 0 | 0 | 111.5 | M121 Q186 Q187 | M121-E184 HydrophobicContact SD-CB 4.27Å; M121-E184 HydrophobicContact SD-CG 4.19Å; E184-Q186 VanDerWaalsContact C-N 3.29Å; E184-Q186 PolarHBondContact O-N 3.44Å; E184-Q187 WeakPolarHBondContact O-CG 3.33Å; E184-Q187 PolarHBondContact O-NE2 2.71Å | ||
| 185 | L | 86 | Confident | 84.8 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -60.3 | -38.8 | 176.7 | -83.8 | 159.7 | 0 | 0 | 0 | 112 | V93 Q94 L116 T118 M121 A123 | V93-L185 CarbonylContact C-O 3.58Å; V93-L185 WeakPolarHBondContact CA-O 3.29Å; V93-L185 HydrophobicContact CG1-CB 4.48Å; Q94-L185 PolarHBondContact N-O 3.35Å; Q94-L185 WeakPolarHBondContact O-CD2 3.41Å; L116-L185 HydrophobicContact CB-CD2 3.74Å; T118-L185 HydrophobicContact CG2-CB 4.49Å; T118-L185 HydrophobicContact CG2-CD2 3.58Å; T118-L185 HydrophobicContact CG2-CG 3.74Å; M121-L185 HydrophobicContact CB-CD1 4.03Å; M121-L185 HydrophobicContact CB-CG 4.33Å; A123-L185 HydrophobicContact CB-CD1 3.47Å; A123-L185 VanDerWaalsContact CB-CD1 3.47Å |
| 186 | Q | 88.4 | Confident | 85.7 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114.6 | -179.9 | 179.3 | 175.4 | -13.5 | 0 | 0 | 109.2 | E91 V93 E184 | E91-Q186 PolarHBondContact OE2-NE2 2.97Å; V93-Q186 HydrophobicContact CG2-CB 4.49Å; E184-Q186 VanDerWaalsContact C-N 3.29Å; E184-Q186 PolarHBondContact O-N 3.44Å |
| 187 | Q | 86.2 | Confident | 86.3 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 144.1 | 179.4 | -61.5 | -178.1 | 4.6 | 0 | 0 | 109.9 | V92 E184 H189 | V92-Q187 PolarHBondContact N-O 3.19Å; V92-Q187 PolarHBondContact O-N 3.1Å; V92-Q187 VanDerWaalsContact O-O 3.13Å; E184-Q187 WeakPolarHBondContact O-CG 3.33Å; E184-Q187 PolarHBondContact O-NE2 2.71Å; Q187-H189 PolarHBondContact OE1-NE2 3.23Å |
| 188 | R | 87.4 | Confident | 86.7 | Confident | 180 Ų | 180 | 61 Ų | 61 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.1 | 168.7 | -69.7 | -174.4 | 173.1 | 174.4 | 0.8 | 108.4 | E91 | E91-R188 HydrophobicContact CG-CG 4.24Å; E91-R188 IonicContact OE1-CZ 2.93Å; E91-R188 IonicContact OE1-NE 3.62Å; E91-R188 PolarHBondContact OE1-NE 3.48Å; E91-R188 VanDerWaalsContact OE1-NE 3.14Å; E91-R188 IonicContact OE1-NH2 2.71Å; E91-R188 PolarHBondContact OE1-NH2 2.68Å |
| 189 | H | 83.5 | Confident | 86.9 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.5 | 177.1 | -78.7 | -148.9 | 0 | 0 | 0 | 108.4 | S90 V92 Q94 Q187 N191 | S90-H189 PolarHBondContact N-O 3.48Å; S90-H189 PolarHBondContact O-N 3.38Å; V92-H189 HydrophobicContact CG2-CB 4.04Å; Q94-H189 PolarHBondContact NE2-CE1 3.4Å; Q94-H189 VanDerWaalsContact NE2-CE1 3.25Å; Q187-H189 PolarHBondContact OE1-NE2 3.23Å; H189-N191 PolarHBondContact O-N 3.34Å |
| 190 | E | 83.8 | Confident | 87 | Confident | 128 Ų | 128 | 57.7 Ų | 57.7 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 105.9 | 170 | -75.7 | -177.1 | -154.1 | 0 | 0 | 109.1 | E89 | E89-E190 HydrophobicContact CG-CG 4.04Å |
| 191 | N | 83.5 | Confident | 87.4 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 120.7 | 173.4 | -70.5 | -35.2 | 0 | 0 | 0 | 109.5 | E88 S90 H189 | E88-N191 PolarHBondContact N-O 3.42Å; E88-N191 PolarHBondContact O-N 2.99Å; S90-N191 PolarHBondContact OG-ND2 2.99Å; S90-N191 VanDerWaalsContact OG-ND2 3.08Å; H189-N191 PolarHBondContact O-N 3.34Å |
| 192 | V | 86.1 | Confident | 87.5 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 107.1 | 176.4 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | R85 K87 | R85-V192 HydrophobicContact CG-CG1 3.33Å; K87-V192 HydrophobicContact CG-CG2 4.33Å |
| 193 | H | 87 | Confident | 87.5 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.9 | 176.7 | -64.8 | -57.3 | 0 | 0 | 0 | 110 | R85 I86 | R85-H193 CarbonylContact C-O 3.59Å; R85-H193 WeakPolarHBondContact CA-O 3.39Å; I86-H193 PolarHBondContact N-O 3.07Å; I86-H193 PolarHBondContact O-N 2.77Å |
| 194 | T | 87.7 | Confident | 87.4 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 114.2 | 172.8 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | I84 I245 | I84-T194 CarbonylContact O-C 3.58Å; I84-T194 VanDerWaalsContact O-CA 3.31Å; I84-T194 WeakPolarHBondContact O-CA 3.04Å; T194-I245 HydrophobicContact CG2-CD1 4.38Å |
| 195 | L | 89.8 | Confident | 87.1 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 157.2 | 179 | -61.8 | 177.1 | 0 | 0 | 0 | 109.6 | G83 I84 I86 L200 | G83-L195 CarbonylContact C-O 3.59Å; G83-L195 WeakPolarHBondContact CA-O 3.47Å; I84-L195 PolarHBondContact N-O 3.29Å; I84-L195 PolarHBondContact O-N 2.96Å; I86-L195 HydrophobicContact CD1-CD1 4.41Å; L195-L200 HydrophobicContact CD1-CD2 3.98Å |
| 196 | T | 91 | Very high | 86.5 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 15% | 0.153 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 157.4 | 170.6 | 71.8 | 0 | 0 | 0 | 0 | 111.4 | P54 K80 I82 H198 D199 L200 | P54-T196 HydrophobicContact CB-CG2 4.44Å; K80-T196 WeakPolarHBondContact O-CG2 3.17Å; I82-T196 VanDerWaalsContact O-CA 3.29Å; I82-T196 WeakPolarHBondContact O-CA 3.44Å; T196-H198 PolarHBondContact O-N 3.03Å; T196-D199 WeakPolarHBondContact CB-OD2 3.45Å; T196-D199 PolarHBondContact N-OD2 3.41Å; T196-D199 PolarHBondContact O-N 3.23Å; T196-D199 VanDerWaalsContact O-N 3.14Å; T196-D199 PolarHBondContact OG1-N 3.11Å; T196-D199 PolarHBondContact OG1-OD1 3.33Å; T196-D199 PolarHBondContact OG1-OD2 3.44Å; T196-L200 PolarHBondContact O-N 3.49Å |
| 197 | L | 90.4 | Very high | 85.6 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -35.4 | 173.1 | -84.7 | 174.6 | 0 | 0 | 0 | 111.9 | R79 I82 I84 D199 L200 D201 I229 M233 | R79-L197 HydrophobicContact CB-CB 4.02Å; R79-L197 HydrophobicContact CG-CB 4.34Å; R79-L197 PolarHBondContact O-N 2.86Å; I82-L197 HydrophobicContact CB-CD1 3.81Å; I82-L197 HydrophobicContact CB-CG 4.28Å; I82-L197 HydrophobicContact CD1-CD1 3.83Å; I82-L197 HydrophobicContact CG1-CD1 4.44Å; I82-L197 HydrophobicContact CG2-CD1 3.57Å; I82-L197 HydrophobicContact CG2-CG 4.05Å; I82-L197 PolarHBondContact O-N 3.01Å; I82-L197 VanDerWaalsContact O-N 3.12Å; I84-L197 HydrophobicContact CD1-CD2 3.39Å; I84-L197 HydrophobicContact CD1-CG 3.74Å; I84-L197 HydrophobicContact CG1-CD2 4.41Å; I84-L197 HydrophobicContact CG1-CG 4.38Å; L197-D199 VanDerWaalsContact C-N 3.32Å; L197-D199 PolarHBondContact O-N 2.89Å; L197-L200 PolarHBondContact O-N 3.35Å; L197-D201 PolarHBondContact O-N 2.94Å; L197-I229 HydrophobicContact CD2-CG2 4.09Å; L197-M233 HydrophobicContact CD2-CG 3.86Å |
| 198 | H | 90.4 | Very high | 84.7 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 177.8 | 179.4 | 72.1 | 0 | 0 | 0 | 112.7 | R79 K80 T196 L200 D201 I202 | R79-H198 HydrophobicContact CB-CB 3.96Å; R79-H198 PolarHBondContact O-N 2.87Å; K80-H198 HydrophobicContact CB-CB 4.44Å; K80-H198 WeakPolarHBondContact CE-CD2 2.99Å; K80-H198 WeakPolarHBondContact CE-NE2 3.37Å; K80-H198 HydrophobicContact CG-CB 3.6Å; T196-H198 PolarHBondContact O-N 3.03Å; H198-L200 VanDerWaalsContact C-N 3.34Å; H198-D201 WeakPolarHBondContact O-CB 3.41Å; H198-D201 PolarHBondContact O-N 3.32Å; H198-I202 VanDerWaalsContact CE1-CD1 3.42Å; H198-I202 WeakPolarHBondContact CE1-CD1 3.34Å; H198-I202 WeakPolarHBondContact NE2-CD1 3.43Å; H198-I202 WeakPolarHBondContact O-CG1 3.47Å; H198-I202 PolarHBondContact O-N 2.87Å; H198-I202 VanDerWaalsContact O-N 3.1Å |
| 199 | D | 88.8 | Confident | 83.6 | Confident | 41 Ų | 41 | 62.3 Ų | 62.3 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 175.5 | -56.7 | -38.7 | 0 | 0 | 0 | 110.6 | T196 L197 D201 I202 I203 L213 | T196-D199 WeakPolarHBondContact CB-OD2 3.45Å; T196-D199 PolarHBondContact N-OD2 3.41Å; T196-D199 PolarHBondContact O-N 3.23Å; T196-D199 VanDerWaalsContact O-N 3.14Å; T196-D199 PolarHBondContact OG1-N 3.11Å; T196-D199 PolarHBondContact OG1-OD1 3.33Å; T196-D199 PolarHBondContact OG1-OD2 3.44Å; L197-D199 VanDerWaalsContact C-N 3.32Å; L197-D199 PolarHBondContact O-N 2.89Å; D199-D201 VanDerWaalsContact C-N 3.34Å; D199-D201 PolarHBondContact O-N 3.18Å; D199-I202 PolarHBondContact O-N 3.05Å; D199-I203 WeakPolarHBondContact O-CB 3.43Å; D199-I203 WeakPolarHBondContact O-CD1 3.18Å; D199-I203 WeakPolarHBondContact O-CG1 3.37Å; D199-I203 PolarHBondContact O-N 2.97Å; D199-L213 HydrophobicContact CB-CD1 4.3Å; D199-L213 HydrophobicContact CB-CD2 4.49Å |
| 200 | L | 87.8 | Confident | 83.1 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 175.6 | -64.1 | -176.3 | 0 | 0 | 0 | 112.3 | I84 L195 T196 L197 H198 N204 I229 M233 | I84-L200 HydrophobicContact CD1-CD1 3.45Å; I84-L200 VanDerWaalsContact CD1-CD1 3.45Å; L195-L200 HydrophobicContact CD1-CD2 3.98Å; T196-L200 PolarHBondContact O-N 3.49Å; L197-L200 PolarHBondContact O-N 3.35Å; H198-L200 VanDerWaalsContact C-N 3.34Å; L200-N204 WeakPolarHBondContact O-CB 3.36Å; L200-N204 PolarHBondContact O-N 3.41Å; L200-N204 VanDerWaalsContact O-N 3.1Å; L200-N204 PolarHBondContact O-ND2 3.46Å; L200-I229 HydrophobicContact CB-CG2 4.39Å; L200-I229 WeakPolarHBondContact O-CD1 3.12Å; L200-M233 HydrophobicContact CD1-SD 4.02Å |
| 201 | D | 89.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 175.4 | -76.9 | 0.7 | 0 | 0 | 0 | 111.5 | R79 L197 H198 D199 S205 V221 R226 I229 | R79-D201 WeakPolarHBondContact CD-OD2 3.42Å; R79-D201 IonicContact CZ-OD1 3.56Å; R79-D201 IonicContact CZ-OD2 3.14Å; R79-D201 IonicContact NE-OD2 3.56Å; R79-D201 PolarHBondContact NE-OD2 2.88Å; R79-D201 VanDerWaalsContact NH1-CG 3.32Å; R79-D201 IonicContact NH1-OD1 3.91Å; R79-D201 PolarHBondContact NH1-OD1 3.22Å; R79-D201 IonicContact NH1-OD2 3.65Å; R79-D201 PolarHBondContact NH1-OD2 3.03Å; R79-D201 VanDerWaalsContact NH1-OD2 3.07Å; L197-D201 PolarHBondContact O-N 2.94Å; H198-D201 WeakPolarHBondContact O-CB 3.41Å; H198-D201 PolarHBondContact O-N 3.32Å; D199-D201 VanDerWaalsContact C-N 3.34Å; D199-D201 PolarHBondContact O-N 3.18Å; D201-S205 WeakPolarHBondContact O-CB 3.22Å; D201-S205 PolarHBondContact O-N 2.87Å; D201-V221 HydrophobicContact CB-CG1 4.11Å; D201-V221 HydrophobicContact CB-CG2 4.41Å; D201-R226 IonicContact OD2-NE 3.2Å; D201-I229 VanDerWaalsContact CA-CD1 3.41Å; D201-I229 HydrophobicContact CB-CD1 4.26Å; D201-I229 WeakPolarHBondContact OD1-CD1 3.46Å |
| 202 | I | 87.6 | Confident | 82 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.5 | -42 | -177.3 | -68.7 | 167.6 | 0 | 0 | 0 | 111.6 | H198 D199 N204 S205 R206 G209 A212 L213 T218 | H198-I202 VanDerWaalsContact CE1-CD1 3.42Å; H198-I202 WeakPolarHBondContact CE1-CD1 3.34Å; H198-I202 WeakPolarHBondContact NE2-CD1 3.43Å; H198-I202 WeakPolarHBondContact O-CG1 3.47Å; H198-I202 PolarHBondContact O-N 2.87Å; H198-I202 VanDerWaalsContact O-N 3.1Å; D199-I202 PolarHBondContact O-N 3.05Å; I202-N204 VanDerWaalsContact C-N 3.28Å; I202-N204 PolarHBondContact O-N 3.43Å; I202-S205 PolarHBondContact O-N 3.47Å; I202-R206 PolarHBondContact O-N 2.92Å; I202-G209 WeakPolarHBondContact CG2-O 3.5Å; I202-A212 HydrophobicContact CG2-CB 4.16Å; I202-L213 HydrophobicContact CB-CD2 3.92Å; I202-L213 HydrophobicContact CB-CG 4.32Å; I202-L213 HydrophobicContact CD1-CD2 3.42Å; I202-L213 VanDerWaalsContact CD1-CD2 3.42Å; I202-L213 HydrophobicContact CD1-CG 4.47Å; I202-L213 HydrophobicContact CG1-CD2 4.26Å; I202-L213 HydrophobicContact CG2-CD2 3.98Å; I202-L213 HydrophobicContact CG2-CG 3.93Å; I202-T218 HydrophobicContact CD1-CG2 3.39Å; I202-T218 HydrophobicContact CG1-CG2 4.47Å |
| 203 | I | 86.8 | Confident | 81.3 | Confident | 67 Ų | 67 | 58 Ų | 58 | 34% | 0.344 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 179.5 | -69.7 | 165.2 | 0 | 0 | 0 | 110.8 | D199 V210 L213 | D199-I203 WeakPolarHBondContact O-CB 3.43Å; D199-I203 WeakPolarHBondContact O-CD1 3.18Å; D199-I203 WeakPolarHBondContact O-CG1 3.37Å; D199-I203 PolarHBondContact O-N 2.97Å; I203-V210 HydrophobicContact CG1-CG2 4.36Å; I203-L213 HydrophobicContact CD1-CD1 4.18Å; I203-L213 HydrophobicContact CG1-CD1 4.01Å |
| 204 | N | 85.5 | Confident | 80.8 | Confident | 87 Ų | 87 | 62.1 Ų | 62.1 | 47% | 0.465 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -82.2 | -23.2 | 179.9 | -69.4 | -52.5 | 0 | 0 | 0 | 113.5 | L200 I202 V225 I229 | L200-N204 WeakPolarHBondContact O-CB 3.36Å; L200-N204 PolarHBondContact O-N 3.41Å; L200-N204 VanDerWaalsContact O-N 3.1Å; L200-N204 PolarHBondContact O-ND2 3.46Å; I202-N204 VanDerWaalsContact C-N 3.28Å; I202-N204 PolarHBondContact O-N 3.43Å; N204-V225 HydrophobicContact CB-CG1 4.22Å; N204-I229 HydrophobicContact CB-CD1 4.16Å |
| 205 | S | 81.5 | Confident | 80.1 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.5 | -41.9 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 112.8 | D201 I202 | D201-S205 WeakPolarHBondContact O-CB 3.22Å; D201-S205 PolarHBondContact O-N 2.87Å; I202-S205 PolarHBondContact O-N 3.47Å |
| 206 | R | 73.6 | Confident | 79.2 | Confident | 102 Ų | 102 | 63.3 Ų | 63.3 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | trans | -119.3 | 138.8 | -176.2 | -65.5 | -173.7 | -178.6 | -171.7 | 2.7 | 111.9 | I202 Q208 G209 D217 | I202-R206 PolarHBondContact O-N 2.92Å; R206-Q208 PolarHBondContact O-N 3.42Å; R206-Q208 VanDerWaalsContact O-N 3.1Å; R206-G209 PolarHBondContact O-N 3.47Å; R206-D217 IonicContact CZ-OD2 2.73Å; R206-D217 PolarHBondContact NH1-O 3.3Å; R206-D217 VanDerWaalsContact NH1-O 3.14Å; R206-D217 IonicContact NH1-OD2 4Å; R206-D217 PolarHBondContact NH1-OD2 3.4Å; R206-D217 IonicContact NH2-OD2 3.7Å | ||
| 207 | K | 69.7 | Low | 78.1 | Confident | 225 Ų | 225 | 66.7 Ų | 66.7 | 98% | 0.978 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.6 | 173.8 | -67.6 | -175.2 | 179.8 | -179.9 | 0 | 113.9 | ||
| 208 | Q | 67.1 | Low | 77 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 71% | 0.71 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 36 | 172.3 | -66.6 | -173.3 | -10.3 | 0 | 0 | 111.5 | R206 V210 V211 A212 | R206-Q208 PolarHBondContact O-N 3.42Å; R206-Q208 VanDerWaalsContact O-N 3.1Å; Q208-V210 PolarHBondContact O-N 2.9Å; Q208-V210 VanDerWaalsContact O-N 3.16Å; Q208-V211 PolarHBondContact O-N 2.66Å; Q208-A212 PolarHBondContact O-N 2.79Å |
| 209 | G | 64.9 | Low | 76.1 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.2 | -31.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I202 R206 V211 A212 L213 | I202-G209 WeakPolarHBondContact CG2-O 3.5Å; R206-G209 PolarHBondContact O-N 3.47Å; G209-V211 VanDerWaalsContact C-N 3.29Å; G209-V211 PolarHBondContact O-N 2.84Å; G209-A212 WeakPolarHBondContact O-CB 3.44Å; G209-A212 PolarHBondContact O-N 3.21Å; G209-A212 VanDerWaalsContact O-N 3.14Å; G209-L213 PolarHBondContact O-N 3.04Å; G209-L213 VanDerWaalsContact O-N 3.11Å |
| 210 | V | 71.7 | Confident | 75.7 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 52% | 0.515 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 177 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | I203 Q208 L213 F214 | I203-V210 HydrophobicContact CG1-CG2 4.36Å; Q208-V210 PolarHBondContact O-N 2.9Å; Q208-V210 VanDerWaalsContact O-N 3.16Å; V210-L213 PolarHBondContact O-N 3.23Å; V210-F214 HydrophobicContact CG1-CE2 3.97Å; V210-F214 WeakPolarHBondContact O-CD2 3.14Å |
| 211 | V | 75 | Confident | 75.5 | Confident | 80 Ų | 80 | 72 Ų | 72 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.2 | -38.6 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | Q208 G209 L213 F214 T215 | Q208-V211 PolarHBondContact O-N 2.66Å; G209-V211 VanDerWaalsContact C-N 3.29Å; G209-V211 PolarHBondContact O-N 2.84Å; V211-L213 VanDerWaalsContact C-N 3.27Å; V211-L213 PolarHBondContact O-N 3.46Å; V211-F214 PolarHBondContact O-N 2.89Å; V211-T215 HydrophobicContact CG1-CG2 3.97Å; V211-T215 WeakPolarHBondContact O-CG2 3.41Å; V211-T215 PolarHBondContact O-N 2.98Å; V211-T215 PolarHBondContact O-OG1 3.18Å |
| 212 | A | 69.9 | Low | 75.4 | Confident | 7 Ų | 7 | 74.8 Ų | 74.8 | 6% | 0.058 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.8 | -33.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I202 Q208 G209 F214 T215 G216 | I202-A212 HydrophobicContact CG2-CB 4.16Å; Q208-A212 PolarHBondContact O-N 2.79Å; G209-A212 WeakPolarHBondContact O-CB 3.44Å; G209-A212 PolarHBondContact O-N 3.21Å; G209-A212 VanDerWaalsContact O-N 3.14Å; A212-F214 PolarHBondContact O-N 2.88Å; A212-T215 WeakPolarHBondContact CA-OG1 3.34Å; A212-T215 PolarHBondContact O-N 3.41Å; A212-T215 PolarHBondContact O-OG1 3.1Å; A212-G216 PolarHBondContact O-N 3.37Å |
| 213 | L | 71.2 | Confident | 75.4 | Confident | 51 Ų | 51 | 78.4 Ų | 78.4 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.8 | -35.4 | 173 | -70.3 | 171 | 0 | 0 | 0 | 112.4 | D199 I202 I203 G209 V210 V211 | D199-L213 HydrophobicContact CB-CD1 4.3Å; D199-L213 HydrophobicContact CB-CD2 4.49Å; I202-L213 HydrophobicContact CB-CD2 3.92Å; I202-L213 HydrophobicContact CB-CG 4.32Å; I202-L213 HydrophobicContact CD1-CD2 3.42Å; I202-L213 VanDerWaalsContact CD1-CD2 3.42Å; I202-L213 HydrophobicContact CD1-CG 4.47Å; I202-L213 HydrophobicContact CG1-CD2 4.26Å; I202-L213 HydrophobicContact CG2-CD2 3.98Å; I202-L213 HydrophobicContact CG2-CG 3.93Å; I203-L213 HydrophobicContact CD1-CD1 4.18Å; I203-L213 HydrophobicContact CG1-CD1 4.01Å; G209-L213 PolarHBondContact O-N 3.04Å; G209-L213 VanDerWaalsContact O-N 3.11Å; V210-L213 PolarHBondContact O-N 3.23Å; V211-L213 VanDerWaalsContact C-N 3.27Å; V211-L213 PolarHBondContact O-N 3.46Å |
| 214 | F | 75.9 | Confident | 75.5 | Confident | 177 Ų | 177 | 81.8 Ų | 81.8 | 78% | 0.776 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -86.8 | -30.2 | 179.6 | -66.5 | -70.5 | 0 | 0 | 0 | 113.4 | V210 V211 A212 | V210-F214 HydrophobicContact CG1-CE2 3.97Å; V210-F214 WeakPolarHBondContact O-CD2 3.14Å; V211-F214 PolarHBondContact O-N 2.89Å; A212-F214 PolarHBondContact O-N 2.88Å |
| 215 | T | 74.3 | Confident | 75.8 | Confident | 92 Ų | 92 | 78.7 Ų | 78.7 | 56% | 0.564 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -82 | -18.3 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 113 | V211 A212 D217 | V211-T215 HydrophobicContact CG1-CG2 3.97Å; V211-T215 WeakPolarHBondContact O-CG2 3.41Å; V211-T215 PolarHBondContact O-N 2.98Å; V211-T215 PolarHBondContact O-OG1 3.18Å; A212-T215 WeakPolarHBondContact CA-OG1 3.34Å; A212-T215 PolarHBondContact O-N 3.41Å; A212-T215 PolarHBondContact O-OG1 3.1Å; T215-D217 PolarHBondContact O-N 2.8Å; T215-D217 PolarHBondContact OG1-N 2.86Å |
| 216 | G | 71.1 | Confident | 76.1 | Confident | 55 Ų | 55 | 77.6 Ų | 77.6 | 57% | 0.567 | 42% | 0.415 | S | S | * | . | trans | 75.4 | 3.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A212 T218 | A212-G216 PolarHBondContact O-N 3.37Å; G216-T218 PolarHBondContact O-N 3.16Å | ||
| 217 | D | 67.3 | Low | 77 | Confident | 95 Ų | 95 | 77.5 Ų | 77.5 | 51% | 0.508 | 42% | 0.422 | S | S | . | . | trans | -79.7 | 55.3 | 171.9 | -174.7 | 37.5 | 0 | 0 | 0 | 110.4 | R206 T215 G219 | R206-D217 IonicContact CZ-OD2 2.73Å; R206-D217 PolarHBondContact NH1-O 3.3Å; R206-D217 VanDerWaalsContact NH1-O 3.14Å; R206-D217 IonicContact NH1-OD2 4Å; R206-D217 PolarHBondContact NH1-OD2 3.4Å; R206-D217 IonicContact NH2-OD2 3.7Å; T215-D217 PolarHBondContact O-N 2.8Å; T215-D217 PolarHBondContact OG1-N 2.86Å; D217-G219 VanDerWaalsContact C-N 3.33Å; D217-G219 PolarHBondContact O-N 3.08Å; D217-G219 VanDerWaalsContact O-N 3.14Å | ||
| 218 | T | 68 | Low | 78.1 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 17% | 0.166 | 40% | 0.402 | C | S | . | . | trans | -83.7 | 83.6 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 106.9 | I202 G216 | I202-T218 HydrophobicContact CD1-CG2 3.39Å; I202-T218 HydrophobicContact CG1-CG2 4.47Å; G216-T218 PolarHBondContact O-N 3.16Å | ||
| 219 | G | 70.7 | Confident | 79.2 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 25% | 0.247 | 37% | 0.37 | C | S | . | . | trans | -58.9 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D217 V221 | D217-G219 VanDerWaalsContact C-N 3.33Å; D217-G219 PolarHBondContact O-N 3.08Å; D217-G219 VanDerWaalsContact O-N 3.14Å; G219-V221 PolarHBondContact O-N 2.98Å | ||
| 220 | E | 79.9 | Confident | 80.5 | Confident | 116 Ų | 116 | 67 Ų | 67 | 54% | 0.542 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 133.8 | 178.8 | -54.9 | -164.1 | 138.3 | 0 | 0 | 111.1 | S69 E72 | S69-E220 PolarHBondContact N-OE1 3.23Å; S69-E220 PolarHBondContact OG-OE1 2.69Å; E72-E220 HydrophobicContact CG-CB 4.28Å; E72-E220 HydrophobicContact CG-CG 4.11Å |
| 221 | V | 84 | Confident | 81.5 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 129.4 | 177.6 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | E72 D201 G219 V225 R226 | E72-V221 PolarHBondContact OE1-N 2.8Å; D201-V221 HydrophobicContact CB-CG1 4.11Å; D201-V221 HydrophobicContact CB-CG2 4.41Å; G219-V221 PolarHBondContact O-N 2.98Å; V221-V225 HydrophobicContact CG1-CB 4.3Å; V221-V225 HydrophobicContact CG1-CG1 4.3Å; V221-R226 HydrophobicContact CG1-CG 4.1Å |
| 222 | S | 86.9 | Confident | 82.3 | Confident | 58 Ų | 58 | 66.7 Ų | 66.7 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 146.4 | 176.9 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | E224 V225 R226 | S222-E224 PolarHBondContact O-N 3.29Å; S222-V225 PolarHBondContact O-N 3.01Å; S222-V225 VanDerWaalsContact OG-CG2 3.32Å; S222-V225 WeakPolarHBondContact OG-CG2 3.39Å; S222-R226 PolarHBondContact O-N 3.12Å |
| 223 | S | 87.7 | Confident | 83.2 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 57% | 0.573 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.5 | -32.3 | 176.7 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | V225 R226 D227 | S223-V225 PolarHBondContact O-N 3.24Å; S223-R226 WeakPolarHBondContact O-CB 3.48Å; S223-R226 PolarHBondContact O-N 3.28Å; S223-R226 VanDerWaalsContact O-N 3.17Å; S223-D227 VanDerWaalsContact O-CG 3.31Å; S223-D227 PolarHBondContact O-N 2.96Å |
| 224 | E | 90.5 | Very high | 84.1 | Confident | 139 Ų | 139 | 69.2 Ų | 69.2 | 65% | 0.65 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.3 | -44 | 178 | -63.4 | 177.9 | -176.1 | 0 | 0 | 112.5 | S222 R226 D227 Q228 | S222-E224 PolarHBondContact O-N 3.29Å; E224-R226 VanDerWaalsContact C-N 3.3Å; E224-R226 PolarHBondContact O-N 3.46Å; E224-D227 PolarHBondContact O-N 2.88Å; E224-Q228 VanDerWaalsContact O-CG 3.29Å; E224-Q228 WeakPolarHBondContact O-CG 3.05Å; E224-Q228 PolarHBondContact O-N 3.15Å |
| 225 | V | 90.3 | Very high | 84.9 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 13% | 0.133 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.2 | 172.7 | 0 | 0 | 0 | 0 | 110 | N204 V221 S222 S223 D227 Q228 I229 | N204-V225 HydrophobicContact CB-CG1 4.22Å; V221-V225 HydrophobicContact CG1-CB 4.3Å; V221-V225 HydrophobicContact CG1-CG1 4.3Å; S222-V225 PolarHBondContact O-N 3.01Å; S222-V225 VanDerWaalsContact OG-CG2 3.32Å; S222-V225 WeakPolarHBondContact OG-CG2 3.39Å; S223-V225 PolarHBondContact O-N 3.24Å; V225-D227 PolarHBondContact O-N 3.14Å; V225-Q228 PolarHBondContact O-N 3.19Å; V225-I229 HydrophobicContact CG1-CD1 3.74Å; V225-I229 WeakPolarHBondContact O-CB 3.41Å; V225-I229 WeakPolarHBondContact O-CD1 3.36Å; V225-I229 VanDerWaalsContact O-CG1 3.26Å; V225-I229 WeakPolarHBondContact O-CG1 3.49Å; V225-I229 PolarHBondContact O-N 3.23Å |
| 226 | R | 89.4 | Confident | 85.7 | Confident | 28 Ų | 28 | 65 Ų | 65 | 11% | 0.106 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 177.1 | -76.4 | -174 | 169.5 | 154.1 | 8 | 112.9 | E72 R79 D201 V221 S222 S223 E224 I229 N230 | E72-R226 IonicContact OE1-CZ 2.79Å; E72-R226 IonicContact OE1-NH1 3.71Å; E72-R226 IonicContact OE1-NH2 2.69Å; E72-R226 PolarHBondContact OE1-NH2 2.86Å; E72-R226 IonicContact OE2-CZ 3.23Å; E72-R226 IonicContact OE2-NH1 2.65Å; E72-R226 PolarHBondContact OE2-NH1 3.14Å; E72-R226 IonicContact OE2-NH2 2.84Å; E72-R226 PolarHBondContact OE2-NH2 2.79Å; R79-R226 PolarHBondContact NH2-O 2.99Å; D201-R226 IonicContact OD2-NE 3.2Å; V221-R226 HydrophobicContact CG1-CG 4.1Å; S222-R226 PolarHBondContact O-N 3.12Å; S223-R226 WeakPolarHBondContact O-CB 3.48Å; S223-R226 PolarHBondContact O-N 3.28Å; S223-R226 VanDerWaalsContact O-N 3.17Å; E224-R226 VanDerWaalsContact C-N 3.3Å; E224-R226 PolarHBondContact O-N 3.46Å; R226-I229 PolarHBondContact O-N 3.4Å; R226-N230 WeakPolarHBondContact O-CB 3.5Å; R226-N230 PolarHBondContact O-N 3.36Å; R226-N230 PolarHBondContact O-ND2 3.33Å; R226-N230 PolarHBondContact O-OD1 3.42Å |
| 227 | D | 91.2 | Very high | 86.5 | Confident | 100 Ų | 100 | 69.7 Ų | 69.7 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.5 | -40.1 | 179.1 | -68.1 | -25.5 | 0 | 0 | 0 | 111.4 | S223 E224 V225 I229 N230 A231 | S223-D227 VanDerWaalsContact O-CG 3.31Å; S223-D227 PolarHBondContact O-N 2.96Å; E224-D227 PolarHBondContact O-N 2.88Å; V225-D227 PolarHBondContact O-N 3.14Å; D227-I229 VanDerWaalsContact C-N 3.33Å; D227-I229 PolarHBondContact O-N 3.02Å; D227-N230 PolarHBondContact O-N 3.45Å; D227-A231 WeakPolarHBondContact O-CB 3.46Å; D227-A231 PolarHBondContact O-N 3.41Å |
| 228 | Q | 92.3 | Very high | 87.6 | Confident | 118 Ų | 118 | 72.1 Ų | 72.1 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.2 | -42.7 | 172.3 | -73.2 | 176.3 | 15.4 | 0 | 0 | 112 | E224 V225 A231 K232 | E224-Q228 VanDerWaalsContact O-CG 3.29Å; E224-Q228 WeakPolarHBondContact O-CG 3.05Å; E224-Q228 PolarHBondContact O-N 3.15Å; V225-Q228 PolarHBondContact O-N 3.19Å; Q228-A231 PolarHBondContact O-N 3.06Å; Q228-K232 WeakPolarHBondContact O-CG 3.37Å; Q228-K232 PolarHBondContact O-N 2.96Å |
| 229 | I | 91.4 | Very high | 88.7 | Confident | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 177.4 | -70.3 | 166 | 0 | 0 | 0 | 110.4 | L197 L200 D201 N204 V225 R226 D227 A231 K232 M233 | L197-I229 HydrophobicContact CD2-CG2 4.09Å; L200-I229 HydrophobicContact CB-CG2 4.39Å; L200-I229 WeakPolarHBondContact O-CD1 3.12Å; D201-I229 VanDerWaalsContact CA-CD1 3.41Å; D201-I229 HydrophobicContact CB-CD1 4.26Å; D201-I229 WeakPolarHBondContact OD1-CD1 3.46Å; N204-I229 HydrophobicContact CB-CD1 4.16Å; V225-I229 HydrophobicContact CG1-CD1 3.74Å; V225-I229 WeakPolarHBondContact O-CB 3.41Å; V225-I229 WeakPolarHBondContact O-CD1 3.36Å; V225-I229 VanDerWaalsContact O-CG1 3.26Å; V225-I229 WeakPolarHBondContact O-CG1 3.49Å; V225-I229 PolarHBondContact O-N 3.23Å; R226-I229 PolarHBondContact O-N 3.4Å; D227-I229 VanDerWaalsContact C-N 3.33Å; D227-I229 PolarHBondContact O-N 3.02Å; I229-A231 VanDerWaalsContact C-N 3.28Å; I229-A231 PolarHBondContact O-N 3.39Å; I229-K232 PolarHBondContact O-N 2.65Å; I229-M233 HydrophobicContact CG2-CG 4.12Å; I229-M233 WeakPolarHBondContact O-CB 3.32Å; I229-M233 WeakPolarHBondContact O-CG 3.35Å; I229-M233 PolarHBondContact O-N 2.92Å |
| 230 | N | 91.7 | Very high | 89.4 | Confident | 34 Ų | 34 | 77 Ų | 77 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 175.7 | -70.1 | -12.8 | 0 | 0 | 0 | 111.9 | R79 R226 D227 M233 K234 F273 | R79-N230 PolarHBondContact NH2-ND2 3.01Å; R79-N230 VanDerWaalsContact NH2-ND2 3.11Å; R79-N230 PolarHBondContact NH2-OD1 3.49Å; R226-N230 WeakPolarHBondContact O-CB 3.5Å; R226-N230 PolarHBondContact O-N 3.36Å; R226-N230 PolarHBondContact O-ND2 3.33Å; R226-N230 PolarHBondContact O-OD1 3.42Å; D227-N230 PolarHBondContact O-N 3.45Å; N230-M233 PolarHBondContact O-N 2.76Å; N230-K234 PolarHBondContact O-N 2.81Å; N230-F273 HydrophobicContact CB-CE2 4.46Å |
| 231 | A | 92.2 | Very high | 89.7 | Confident | 62 Ų | 62 | 76.8 Ų | 76.8 | 51% | 0.512 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D227 Q228 I229 M233 K234 E235 | D227-A231 WeakPolarHBondContact O-CB 3.46Å; D227-A231 PolarHBondContact O-N 3.41Å; Q228-A231 PolarHBondContact O-N 3.06Å; I229-A231 VanDerWaalsContact C-N 3.28Å; I229-A231 PolarHBondContact O-N 3.39Å; A231-M233 VanDerWaalsContact C-N 3.28Å; A231-M233 PolarHBondContact O-N 2.86Å; A231-K234 WeakPolarHBondContact O-CB 3.3Å; A231-K234 PolarHBondContact O-N 3Å; A231-K234 VanDerWaalsContact O-N 3.17Å; A231-E235 PolarHBondContact O-N 2.79Å |
| 232 | K | 91.4 | Very high | 89.8 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 43% | 0.426 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 174.8 | -74.7 | 179.7 | 178.1 | 179.6 | 0 | 112.5 | Q228 I229 K234 E235 W236 | Q228-K232 WeakPolarHBondContact O-CG 3.37Å; Q228-K232 PolarHBondContact O-N 2.96Å; I229-K232 PolarHBondContact O-N 2.65Å; K232-K234 VanDerWaalsContact C-N 3.33Å; K232-E235 PolarHBondContact O-N 3.12Å; K232-W236 WeakPolarHBondContact O-CB 3.2Å; K232-W236 PolarHBondContact O-N 3.3Å |
| 233 | M | 89.6 | Confident | 89.9 | Confident | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.015 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.1 | -33.7 | 178 | -73.8 | -51.2 | -48 | 0 | 0 | 112.6 | I84 L197 L200 I229 N230 A231 W236 R237 A242 I244 F273 | I84-M233 HydrophobicContact CB-CE 4.25Å; I84-M233 HydrophobicContact CD1-CE 3.41Å; I84-M233 VanDerWaalsContact CD1-CE 3.41Å; I84-M233 HydrophobicContact CD1-CG 4.13Å; I84-M233 HydrophobicContact CD1-SD 3.4Å; I84-M233 WeakPolarHBondContact CD1-SD 3.44Å; I84-M233 HydrophobicContact CG1-CE 3.63Å; I84-M233 HydrophobicContact CG1-SD 4.29Å; I84-M233 HydrophobicContact CG2-CE 3.56Å; I84-M233 HydrophobicContact CG2-SD 4.33Å; L197-M233 HydrophobicContact CD2-CG 3.86Å; L200-M233 HydrophobicContact CD1-SD 4.02Å; I229-M233 HydrophobicContact CG2-CG 4.12Å; I229-M233 WeakPolarHBondContact O-CB 3.32Å; I229-M233 WeakPolarHBondContact O-CG 3.35Å; I229-M233 PolarHBondContact O-N 2.92Å; N230-M233 PolarHBondContact O-N 2.76Å; A231-M233 VanDerWaalsContact C-N 3.28Å; A231-M233 PolarHBondContact O-N 2.86Å; M233-W236 HydrophobicContact CE-CE3 4.34Å; M233-W236 HydrophobicContact SD-CE3 3.61Å; M233-W236 HydrophobicContact SD-CZ3 3.99Å; M233-R237 VanDerWaalsContact O-CB 3.27Å; M233-R237 WeakPolarHBondContact O-CB 3.34Å; M233-R237 PolarHBondContact O-N 2.81Å; M233-A242 HydrophobicContact CE-CB 4.23Å; M233-I244 HydrophobicContact CE-CG1 4.39Å; M233-F273 HydrophobicContact CB-CE1 4.44Å; M233-F273 HydrophobicContact CB-CZ 4.42Å |
| 234 | K | 90.6 | Very high | 89.9 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 47% | 0.465 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 171.8 | -171.4 | 175.6 | 178 | 175.3 | 0 | 111 | N230 A231 K232 R237 E238 | N230-K234 PolarHBondContact O-N 2.81Å; A231-K234 WeakPolarHBondContact O-CB 3.3Å; A231-K234 PolarHBondContact O-N 3Å; A231-K234 VanDerWaalsContact O-N 3.17Å; K232-K234 VanDerWaalsContact C-N 3.33Å; K234-R237 WeakPolarHBondContact O-CB 3.06Å; K234-R237 PolarHBondContact O-N 2.83Å; K234-E238 WeakPolarHBondContact CE-OE1 3.08Å; K234-E238 WeakPolarHBondContact O-CG 3.42Å; K234-E238 PolarHBondContact O-N 3.46Å |
| 235 | E | 92.6 | Very high | 89.6 | Confident | 103 Ų | 103 | 69 Ų | 69 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.7 | -49.9 | 174.6 | -174.2 | -178.6 | -178.5 | 0 | 0 | 111.8 | A231 K232 R237 E238 E239 | A231-E235 PolarHBondContact O-N 2.79Å; K232-E235 PolarHBondContact O-N 3.12Å; E235-R237 PolarHBondContact O-N 3.39Å; E235-E238 PolarHBondContact O-N 2.86Å; E235-E239 WeakPolarHBondContact O-CG 3.47Å; E235-E239 PolarHBondContact O-N 3.05Å |
| 236 | W | 90.5 | Very high | 89.2 | Confident | 79 Ų | 79 | 70.9 Ų | 70.9 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.1 | -26.8 | 178.6 | -69.7 | -7.7 | 0 | 0 | 0 | 113.9 | I86 K232 M233 G240 K241 A242 | I86-W236 HydrophobicContact CD1-CZ3 3.99Å; K232-W236 WeakPolarHBondContact O-CB 3.2Å; K232-W236 PolarHBondContact O-N 3.3Å; M233-W236 HydrophobicContact CE-CE3 4.34Å; M233-W236 HydrophobicContact SD-CE3 3.61Å; M233-W236 HydrophobicContact SD-CZ3 3.99Å; W236-G240 PolarHBondContact O-N 3.38Å; W236-G240 VanDerWaalsContact O-N 3.14Å; W236-K241 PolarHBondContact O-N 3.12Å; W236-A242 HydrophobicContact CB-CB 3.87Å; W236-A242 HydrophobicContact CE3-CB 4.29Å; W236-A242 PolarHBondContact O-N 2.99Å |
| 237 | R | 87.8 | Confident | 89.1 | Confident | 152 Ų | 152 | 69.5 Ų | 69.5 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -71.9 | -41.4 | 172.1 | -175.8 | -173.3 | -177.7 | 178.1 | -1.4 | 111 | M233 K234 E235 G240 I244 | M233-R237 VanDerWaalsContact O-CB 3.27Å; M233-R237 WeakPolarHBondContact O-CB 3.34Å; M233-R237 PolarHBondContact O-N 2.81Å; K234-R237 WeakPolarHBondContact O-CB 3.06Å; K234-R237 PolarHBondContact O-N 2.83Å; E235-R237 PolarHBondContact O-N 3.39Å; R237-G240 PolarHBondContact O-N 3.3Å; R237-I244 HydrophobicContact CG-CD1 4.5Å |
| 238 | E | 90.8 | Very high | 88.9 | Confident | 147 Ų | 147 | 65 Ų | 65 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 177.4 | -72.8 | 173.5 | -168.7 | 0 | 0 | 111.8 | K234 E235 G240 | K234-E238 WeakPolarHBondContact CE-OE1 3.08Å; K234-E238 WeakPolarHBondContact O-CG 3.42Å; K234-E238 PolarHBondContact O-N 3.46Å; E235-E238 PolarHBondContact O-N 2.86Å; E238-G240 VanDerWaalsContact C-N 3.27Å; E238-G240 PolarHBondContact O-N 3.49Å |
| 239 | E | 90.5 | Very high | 88.9 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.3 | 174 | -66.5 | -176.2 | 129.8 | 0 | 0 | 113.4 | E235 K241 | E235-E239 WeakPolarHBondContact O-CG 3.47Å; E235-E239 PolarHBondContact O-N 3.05Å; E239-K241 VanDerWaalsContact C-N 3.27Å; E239-K241 HydrophobicContact CB-CD 4.44Å; E239-K241 HydrophobicContact CB-CG 4.11Å; E239-K241 PolarHBondContact O-N 3.17Å; E239-K241 IonicContact OE1-NZ 2.84Å; E239-K241 PolarHBondContact OE1-NZ 3.25Å; E239-K241 VanDerWaalsContact OE2-CD 3.25Å; E239-K241 WeakPolarHBondContact OE2-CD 3.2Å; E239-K241 WeakPolarHBondContact OE2-CE 3.33Å; E239-K241 IonicContact OE2-NZ 2.71Å; E239-K241 PolarHBondContact OE2-NZ 3.34Å |
| 240 | G | 85.9 | Confident | 89 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 63% | 0.629 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 9.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | W236 R237 E238 A242 | W236-G240 PolarHBondContact O-N 3.38Å; W236-G240 VanDerWaalsContact O-N 3.14Å; R237-G240 PolarHBondContact O-N 3.3Å; E238-G240 VanDerWaalsContact C-N 3.27Å; E238-G240 PolarHBondContact O-N 3.49Å; G240-A242 VanDerWaalsContact C-N 3.33Å |
| 241 | K | 85.8 | Confident | 89.1 | Confident | 111 Ų | 111 | 57.6 Ų | 57.6 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -70.2 | -29.3 | 176.6 | -67.2 | -177.9 | -171.2 | 148.9 | 0 | 112.7 | K87 W236 E239 | K87-K241 PolarHBondContact N-O 3.46Å; W236-K241 PolarHBondContact O-N 3.12Å; E239-K241 VanDerWaalsContact C-N 3.27Å; E239-K241 HydrophobicContact CB-CD 4.44Å; E239-K241 HydrophobicContact CB-CG 4.11Å; E239-K241 PolarHBondContact O-N 3.17Å; E239-K241 IonicContact OE1-NZ 2.84Å; E239-K241 PolarHBondContact OE1-NZ 3.25Å; E239-K241 VanDerWaalsContact OE2-CD 3.25Å; E239-K241 WeakPolarHBondContact OE2-CD 3.2Å; E239-K241 WeakPolarHBondContact OE2-CE 3.33Å; E239-K241 IonicContact OE2-NZ 2.71Å; E239-K241 PolarHBondContact OE2-NZ 3.34Å |
| 242 | A | 88 | Confident | 89.1 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I84 R85 I86 M233 W236 G240 | I84-A242 HydrophobicContact CG2-CB 3.91Å; R85-A242 WeakPolarHBondContact O-CA 3.38Å; I86-A242 HydrophobicContact CG1-CB 4.28Å; M233-A242 HydrophobicContact CE-CB 4.23Å; W236-A242 HydrophobicContact CB-CB 3.87Å; W236-A242 HydrophobicContact CE3-CB 4.29Å; W236-A242 PolarHBondContact O-N 2.99Å; G240-A242 VanDerWaalsContact C-N 3.33Å |
| 243 | S | 88.3 | Confident | 89.1 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.8 | 169.7 | 60 | 0 | 0 | 0 | 0 | 111.1 | R85 | R85-S243 PolarHBondContact N-O 3.48Å; R85-S243 PolarHBondContact O-N 2.84Å |
| 244 | I | 86.9 | Confident | 89.2 | Confident | 47 Ų | 47 | 55 Ų | 55 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.4 | 178.8 | -59.3 | 154.5 | 0 | 0 | 0 | 108 | I82 M233 R237 F273 | I82-I244 HydrophobicContact CG2-CG2 3.84Å; M233-I244 HydrophobicContact CE-CG1 4.39Å; R237-I244 HydrophobicContact CG-CD1 4.5Å; I244-F273 HydrophobicContact CD1-CD1 4.11Å; I244-F273 HydrophobicContact CD1-CE1 3.53Å |
| 245 | I | 84.7 | Confident | 89.2 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 112.2 | 174.7 | -58.8 | 173.1 | 0 | 0 | 0 | 107.3 | T53 G83 R85 T194 G247 | T53-I245 HydrophobicContact CG2-CG2 3.64Å; G83-I245 PolarHBondContact N-O 3.29Å; G83-I245 PolarHBondContact O-N 3.48Å; R85-I245 HydrophobicContact CB-CD1 3.94Å; R85-I245 HydrophobicContact CB-CG1 4.44Å; T194-I245 HydrophobicContact CG2-CD1 4.38Å; I245-G247 PolarHBondContact O-N 3.34Å |
| 246 | P | 82 | Confident | 89.1 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 117.5 | 171.8 | 28.1 | -31.9 | 0 | 0 | 0 | 108.5 | ||
| 247 | G | 86.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -94.9 | -165.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P54 S81 I245 V276 | P54-G247 CarbonylContact O-C 3.52Å; P54-G247 WeakPolarHBondContact O-CA 3.21Å; S81-G247 CarbonylContact O-C 3.52Å; S81-G247 WeakPolarHBondContact O-CA 3.3Å; S81-G247 PolarHBondContact O-N 2.93Å; I245-G247 PolarHBondContact O-N 3.34Å; G247-V276 PolarHBondContact O-N 2.87Å | ||
| 248 | V | 88.4 | Confident | 89.3 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.4 | -175 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | L49 P54 M55 T56 V276 V278 | L49-V248 HydrophobicContact CD1-CG2 3.32Å; P54-V248 PolarHBondContact O-N 3.38Å; M55-V248 WeakPolarHBondContact CA-O 3.34Å; T56-V248 PolarHBondContact N-O 3.04Å; V248-V276 WeakPolarHBondContact CA-O 3.43Å; V248-V278 HydrophobicContact CG1-CB 4.33Å; V248-V278 HydrophobicContact CG1-CG2 3.79Å |
| 249 | L | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 109.3 | 168.4 | 176.7 | 59.8 | 0 | 0 | 0 | 108.7 | T56 A77 I78 I251 P275 V276 V277 V278 | T56-L249 HydrophobicContact CG2-CD1 4.24Å; A77-L249 HydrophobicContact CB-CD1 3.89Å; I78-L249 HydrophobicContact CG1-CD2 3.83Å; L249-I251 HydrophobicContact CD1-CG1 4.45Å; L249-I251 HydrophobicContact CD2-CD1 4.21Å; L249-I251 HydrophobicContact CD2-CG1 4.42Å; L249-I251 HydrophobicContact CG-CD1 4.39Å; L249-I251 HydrophobicContact CG-CG1 4.08Å; L249-P275 HydrophobicContact CB-CG 4.15Å; L249-V276 PolarHBondContact N-O 2.87Å; L249-V277 HydrophobicContact CB-CG2 4.33Å; L249-V277 HydrophobicContact CD2-CG2 4.23Å; L249-V277 CarbonylContact O-C 3.45Å; L249-V277 WeakPolarHBondContact O-CA 3.27Å; L249-V278 PolarHBondContact O-N 2.91Å |
| 250 | F | 93.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.8 | 175.9 | 180 | -105.5 | 0 | 0 | 0 | 111.1 | L30 T39 A42 M55 T56 I57 L58 D252 V278 A280 | L30-F250 HydrophobicContact CD1-CE2 4.48Å; T39-F250 HydrophobicContact CG2-CE1 3.95Å; T39-F250 HydrophobicContact CG2-CZ 4.23Å; A42-F250 HydrophobicContact CB-CD2 3.34Å; A42-F250 HydrophobicContact CB-CE2 3.29Å; A42-F250 HydrophobicContact CB-CG 4.08Å; A42-F250 HydrophobicContact CB-CZ 3.99Å; M55-F250 HydrophobicContact CE-CB 3.67Å; M55-F250 HydrophobicContact CE-CG 4.17Å; T56-F250 PolarHBondContact O-N 2.92Å; I57-F250 HydrophobicContact CG1-CD1 4.47Å; I57-F250 HydrophobicContact CG2-CD1 4.1Å; L58-F250 PolarHBondContact N-O 2.86Å; F250-D252 HydrophobicContact CE1-CB 3.84Å; F250-D252 HydrophobicContact CZ-CB 4.28Å; F250-V278 CarbonylContact C-O 3.57Å; F250-V278 WeakPolarHBondContact CA-O 3.18Å; F250-V278 HydrophobicContact CD2-CB 4.1Å; F250-V278 HydrophobicContact CD2-CG1 3.88Å; F250-V278 WeakPolarHBondContact CD2-O 3.41Å; F250-V278 HydrophobicContact CE2-CG1 4.25Å; F250-A280 HydrophobicContact CE2-CB 3.93Å; F250-A280 HydrophobicContact CZ-CB 3.78Å |
| 251 | I | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 109.1 | 176.8 | -52.9 | 177.3 | 0 | 0 | 0 | 109.5 | L58 L249 L257 L265 V277 V278 M279 A280 | L58-I251 CarbonylContact O-C 3.51Å; L58-I251 VanDerWaalsContact O-CA 3.25Å; L58-I251 WeakPolarHBondContact O-CA 3.45Å; L249-I251 HydrophobicContact CD1-CG1 4.45Å; L249-I251 HydrophobicContact CD2-CD1 4.21Å; L249-I251 HydrophobicContact CD2-CG1 4.42Å; L249-I251 HydrophobicContact CG-CD1 4.39Å; L249-I251 HydrophobicContact CG-CG1 4.08Å; I251-L257 HydrophobicContact CG2-CD1 4.45Å; I251-L265 HydrophobicContact CD1-CD1 4.11Å; I251-L265 HydrophobicContact CD1-CD2 4.45Å; I251-V277 HydrophobicContact CD1-CG1 4.33Å; I251-V278 PolarHBondContact N-O 2.75Å; I251-M279 HydrophobicContact CB-CG 4.07Å; I251-M279 HydrophobicContact CD1-CG 4.48Å; I251-M279 CarbonylContact O-C 3.52Å; I251-M279 WeakPolarHBondContact O-CA 3.41Å; I251-A280 PolarHBondContact O-N 2.86Å |
| 252 | D | 92 | Very high | 89.9 | Confident | 36 Ų | 36 | 26.3 Ų | 26.3 | 19% | 0.193 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 154.8 | 172.1 | -149.8 | -13.2 | 0 | 0 | 0 | 110.9 | T39 L58 G60 F250 V254 | T39-D252 PolarHBondContact OG1-OD2 3.16Å; L58-D252 PolarHBondContact O-N 3.22Å; G60-D252 PolarHBondContact N-O 3.32Å; F250-D252 HydrophobicContact CE1-CB 3.84Å; F250-D252 HydrophobicContact CZ-CB 4.28Å; D252-V254 VanDerWaalsContact C-N 3.34Å; D252-V254 PolarHBondContact O-N 3.47Å |
| 253 | E | 90.6 | Very high | 90 | Very high | 73 Ų | 73 | 29 Ų | 29 | 34% | 0.341 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 51.6 | 45.1 | 178.4 | -54.7 | -164.2 | 154.3 | 0 | 0 | 114.9 | H255 M256 A280 | E253-H255 PolarHBondContact O-N 3.1Å; E253-M256 HydrophobicContact CB-CG 4.3Å; E253-M256 WeakPolarHBondContact O-CB 3.48Å; E253-M256 PolarHBondContact O-N 3.01Å; E253-A280 PolarHBondContact N-O 3.33Å |
| 254 | V | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -55.6 | -24.7 | -175.2 | 75.3 | 0 | 0 | 0 | 0 | 114.6 | L29 D252 M256 L257 F262 M279 A280 I299 | L29-V254 HydrophobicContact CD1-CG1 4.05Å; D252-V254 VanDerWaalsContact C-N 3.34Å; D252-V254 PolarHBondContact O-N 3.47Å; V254-M256 PolarHBondContact O-N 3.06Å; V254-M256 VanDerWaalsContact O-N 3.08Å; V254-L257 HydrophobicContact CG2-CD1 3.69Å; V254-L257 HydrophobicContact CG2-CG 4.26Å; V254-L257 WeakPolarHBondContact O-CB 3.5Å; V254-L257 WeakPolarHBondContact O-CG 3.39Å; V254-L257 PolarHBondContact O-N 2.67Å; V254-F262 HydrophobicContact CG2-CE1 3.77Å; V254-F262 HydrophobicContact CG2-CZ 3.86Å; V254-M279 HydrophobicContact CB-CB 4.16Å; V254-M279 HydrophobicContact CB-CG 4.34Å; V254-M279 HydrophobicContact CG1-CB 4.35Å; V254-M279 HydrophobicContact CG2-CB 4.15Å; V254-M279 HydrophobicContact CG2-CG 3.86Å; V254-M279 HydrophobicContact CG2-SD 3.73Å; V254-A280 PolarHBondContact N-O 3.06Å; V254-I299 HydrophobicContact CG1-CD1 4.02Å; V254-I299 HydrophobicContact CG1-CG1 4.34Å |
| 255 | H | 90.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 5% | 0.051 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -63.8 | -11 | 175.1 | 63.1 | -85.6 | 0 | 0 | 0 | 114 | E253 R283 Y297 | E253-H255 PolarHBondContact O-N 3.1Å; H255-R283 WeakPolarHBondContact CD2-CD 3.4Å; H255-R283 PolarHBondContact CD2-NE 3.08Å; H255-R283 PolarHBondContact NE2-NE 3.4Å; H255-R283 VanDerWaalsContact NE2-NE 3.14Å; H255-Y297 WeakPolarHBondContact CB-O 3.45Å |
| 256 | M | 90.5 | Very high | 90.5 | Very high | 53 Ų | 53 | 27.6 Ų | 27.6 | 26% | 0.261 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -86.3 | -8.4 | 174.4 | -67.2 | -60 | -66.1 | 0 | 0 | 113.3 | Y64 E253 V254 R289 | Y64-M256 WeakPolarHBondContact CE2-O 3.34Å; Y64-M256 PolarHBondContact OH-O 3.22Å; E253-M256 HydrophobicContact CB-CG 4.3Å; E253-M256 WeakPolarHBondContact O-CB 3.48Å; E253-M256 PolarHBondContact O-N 3.01Å; V254-M256 PolarHBondContact O-N 3.06Å; V254-M256 VanDerWaalsContact O-N 3.08Å; M256-R289 WeakPolarHBondContact O-CD 3.17Å; M256-R289 PolarHBondContact O-NH1 3.41Å |
| 257 | L | 91.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -73.2 | 153.6 | 174.6 | -60.1 | -172.7 | 0 | 0 | 0 | 111.9 | I63 I251 V254 F262 L265 | I63-L257 HydrophobicContact CD1-CD2 3.16Å; I63-L257 HydrophobicContact CG1-CD2 4.45Å; I251-L257 HydrophobicContact CG2-CD1 4.45Å; V254-L257 HydrophobicContact CG2-CD1 3.69Å; V254-L257 HydrophobicContact CG2-CG 4.26Å; V254-L257 WeakPolarHBondContact O-CB 3.5Å; V254-L257 WeakPolarHBondContact O-CG 3.39Å; V254-L257 PolarHBondContact O-N 2.67Å; L257-F262 HydrophobicContact CB-CD2 4.24Å; L257-F262 HydrophobicContact CB-CE2 3.69Å; L257-F262 HydrophobicContact CB-CZ 3.86Å; L257-F262 HydrophobicContact CD1-CE1 4.15Å; L257-F262 HydrophobicContact CD1-CZ 4.19Å; L257-F262 HydrophobicContact CG-CZ 4.48Å; L257-L265 HydrophobicContact CD1-CD1 4.03Å | ||
| 258 | D | 91.5 | Very high | 90.9 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -94.9 | 166.2 | 172.1 | 60.5 | 11.1 | 0 | 0 | 0 | 112.4 | Y64 K70 E260 S261 F262 R289 | Y64-D258 PolarHBondContact OH-N 2.56Å; K70-D258 IonicContact NZ-OD2 2.67Å; K70-D258 PolarHBondContact NZ-OD2 3.2Å; D258-E260 PolarHBondContact O-N 3.49Å; D258-S261 PolarHBondContact O-N 2.86Å; D258-S261 WeakPolarHBondContact OD1-CB 3.47Å; D258-S261 PolarHBondContact OD1-N 3.26Å; D258-S261 PolarHBondContact OD1-OG 2.95Å; D258-F262 WeakPolarHBondContact O-CD2 3.41Å; D258-F262 PolarHBondContact O-N 3.35Å; D258-F262 VanDerWaalsContact O-N 3.15Å; D258-R289 WeakPolarHBondContact CA-O 3.37Å; D258-R289 HydrophobicContact CB-CB 4.23Å |
| 259 | V | 90.8 | Very high | 90.8 | Very high | 46 Ų | 46 | 35.2 Ų | 35.2 | 28% | 0.279 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59 | -31.8 | 179 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | F262 S263 V288 R289 T291 | V259-F262 PolarHBondContact O-N 3.04Å; V259-S263 WeakPolarHBondContact O-CB 3.34Å; V259-S263 PolarHBondContact O-N 3.45Å; V259-S263 PolarHBondContact O-OG 3.27Å; V259-V288 HydrophobicContact CB-CG1 4.4Å; V259-R289 PolarHBondContact N-O 3.07Å; V259-T291 HydrophobicContact CB-CG2 4.34Å; V259-T291 HydrophobicContact CG1-CG2 4.42Å; V259-T291 HydrophobicContact CG2-CG2 4.42Å |
| 260 | E | 90.3 | Very high | 90.4 | Very high | 120 Ų | 120 | 41.1 Ų | 41.1 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -66.1 | -43.7 | 176.6 | -66.7 | 175.8 | -177.5 | 0 | 0 | 111.6 | K70 D258 S263 Y264 | K70-E260 IonicContact NZ-OE2 3.02Å; K70-E260 PolarHBondContact NZ-OE2 3.41Å; D258-E260 PolarHBondContact O-N 3.49Å; E260-S263 WeakPolarHBondContact O-CB 3.47Å; E260-S263 PolarHBondContact O-N 3.34Å; E260-Y264 PolarHBondContact O-N 3.25Å |
| 261 | S | 91.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | D258 Y264 L265 | D258-S261 PolarHBondContact O-N 2.86Å; D258-S261 WeakPolarHBondContact OD1-CB 3.47Å; D258-S261 PolarHBondContact OD1-N 3.26Å; D258-S261 PolarHBondContact OD1-OG 2.95Å; S261-Y264 PolarHBondContact O-N 3.37Å; S261-L265 WeakPolarHBondContact O-CG 3.24Å; S261-L265 PolarHBondContact O-N 3.2Å |
| 262 | F | 91.6 | Very high | 89 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.5 | -74.5 | -66.1 | 0 | 0 | 0 | 112.3 | V254 L257 D258 V259 Y264 L265 N266 I299 P300 F303 | V254-F262 HydrophobicContact CG2-CE1 3.77Å; V254-F262 HydrophobicContact CG2-CZ 3.86Å; L257-F262 HydrophobicContact CB-CD2 4.24Å; L257-F262 HydrophobicContact CB-CE2 3.69Å; L257-F262 HydrophobicContact CB-CZ 3.86Å; L257-F262 HydrophobicContact CD1-CE1 4.15Å; L257-F262 HydrophobicContact CD1-CZ 4.19Å; L257-F262 HydrophobicContact CG-CZ 4.48Å; D258-F262 WeakPolarHBondContact O-CD2 3.41Å; D258-F262 PolarHBondContact O-N 3.35Å; D258-F262 VanDerWaalsContact O-N 3.15Å; V259-F262 PolarHBondContact O-N 3.04Å; F262-Y264 VanDerWaalsContact C-N 3.32Å; F262-Y264 PolarHBondContact O-N 3.22Å; F262-L265 PolarHBondContact O-N 2.77Å; F262-N266 WeakPolarHBondContact O-CB 3.11Å; F262-N266 PolarHBondContact O-N 3.33Å; F262-I299 HydrophobicContact CD1-CG2 4.37Å; F262-I299 HydrophobicContact CE1-CB 4.46Å; F262-I299 HydrophobicContact CE1-CG1 4.1Å; F262-I299 HydrophobicContact CE1-CG2 4Å; F262-I299 HydrophobicContact CZ-CB 4.32Å; F262-I299 HydrophobicContact CZ-CG1 3.88Å; F262-I299 HydrophobicContact CZ-CG2 4.32Å; F262-P300 HydrophobicContact CB-CG 3.87Å; F262-P300 VanDerWaalsContact CD2-CD 3.44Å; F262-P300 HydrophobicContact CD2-CG 3.97Å; F262-P300 HydrophobicContact CG-CG 3.96Å; F262-F303 AromaticContact CD1-CD1 3.91Å; F262-F303 HydrophobicContact CD1-CD1 3.91Å; F262-F303 HydrophobicContact CD1-CD2 4.23Å; F262-F303 HydrophobicContact CD1-CE1 4.1Å; F262-F303 AromaticContact CD1-CG 3.98Å; F262-F303 HydrophobicContact CD1-CG 3.98Å; F262-F303 HydrophobicContact CD1-CZ 4.45Å; F262-F303 HydrophobicContact CE1-CD1 4.18Å; F262-F303 HydrophobicContact CE1-CE1 4.25Å |
| 263 | S | 90.4 | Very high | 88.5 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 44% | 0.441 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | V259 E260 N266 R267 | V259-S263 WeakPolarHBondContact O-CB 3.34Å; V259-S263 PolarHBondContact O-N 3.45Å; V259-S263 PolarHBondContact O-OG 3.27Å; E260-S263 WeakPolarHBondContact O-CB 3.47Å; E260-S263 PolarHBondContact O-N 3.34Å; S263-N266 PolarHBondContact O-N 3.23Å; S263-R267 PolarHBondContact O-N 3.05Å |
| 264 | Y | 90.7 | Very high | 88.1 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 174.6 | -174.1 | -96.5 | 0 | 0 | 0 | 112.1 | L74 A75 I78 E260 S261 F262 N266 R267 A268 | L74-Y264 HydrophobicContact CB-CD1 3.79Å; L74-Y264 HydrophobicContact CB-CE1 3.81Å; L74-Y264 HydrophobicContact CD1-CD1 4.01Å; A75-Y264 HydrophobicContact CB-CE1 4.46Å; A75-Y264 WeakPolarHBondContact CB-OH 3.35Å; I78-Y264 HydrophobicContact CD1-CE1 4.08Å; E260-Y264 PolarHBondContact O-N 3.25Å; S261-Y264 PolarHBondContact O-N 3.37Å; F262-Y264 VanDerWaalsContact C-N 3.32Å; F262-Y264 PolarHBondContact O-N 3.22Å; Y264-N266 VanDerWaalsContact C-N 3.32Å; Y264-N266 PolarHBondContact O-N 3.07Å; Y264-R267 PolarHBondContact O-N 3.42Å; Y264-A268 WeakPolarHBondContact O-CB 3.05Å; Y264-A268 PolarHBondContact O-N 3.08Å |
| 265 | L | 90.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -39.3 | 176.6 | -73.6 | 173.2 | 0 | 0 | 0 | 112.2 | L74 I78 I251 L257 S261 F262 R267 A268 L269 F303 | L74-L265 HydrophobicContact CD2-CD2 4.34Å; I78-L265 HydrophobicContact CD1-CD2 4.29Å; I251-L265 HydrophobicContact CD1-CD1 4.11Å; I251-L265 HydrophobicContact CD1-CD2 4.45Å; L257-L265 HydrophobicContact CD1-CD1 4.03Å; S261-L265 WeakPolarHBondContact O-CG 3.24Å; S261-L265 PolarHBondContact O-N 3.2Å; F262-L265 PolarHBondContact O-N 2.77Å; L265-R267 PolarHBondContact O-N 3.04Å; L265-A268 PolarHBondContact O-N 2.79Å; L265-L269 WeakPolarHBondContact O-CB 3.33Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 3.01Å; L265-F303 HydrophobicContact CB-CE2 3.81Å; L265-F303 HydrophobicContact CB-CZ 4.25Å |
| 266 | N | 89.5 | Confident | 87.7 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.7 | -48.1 | 175.7 | -97.4 | -25.9 | 0 | 0 | 0 | 112 | F262 S263 Y264 D302 F303 R306 | F262-N266 WeakPolarHBondContact O-CB 3.11Å; F262-N266 PolarHBondContact O-N 3.33Å; S263-N266 PolarHBondContact O-N 3.23Å; Y264-N266 VanDerWaalsContact C-N 3.32Å; Y264-N266 PolarHBondContact O-N 3.07Å; N266-D302 PolarHBondContact ND2-OD2 3.44Å; N266-D302 VanDerWaalsContact ND2-OD2 3.1Å; N266-F303 HydrophobicContact CB-CD2 4.43Å; N266-F303 VanDerWaalsContact CG-CD2 3.46Å; N266-F303 WeakPolarHBondContact OD1-CD2 3.43Å; N266-R306 PolarHBondContact O-NH1 3.42Å; N266-R306 WeakPolarHBondContact OD1-CD 3.4Å; N266-R306 PolarHBondContact OD1-NH1 3.06Å |
| 267 | R | 88.4 | Confident | 87.7 | Confident | 202 Ų | 202 | 46.2 Ų | 46.2 | 76% | 0.762 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.5 | -37.4 | 177.4 | -174 | 177.1 | 177 | -176.9 | -1.4 | 112 | S263 Y264 L265 E270 | S263-R267 PolarHBondContact O-N 3.05Å; Y264-R267 PolarHBondContact O-N 3.42Å; L265-R267 PolarHBondContact O-N 3.04Å; R267-E270 PolarHBondContact O-N 2.95Å |
| 268 | A | 87 | Confident | 87.7 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.7 | -32 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I78 Y264 L265 E270 S271 | I78-A268 HydrophobicContact CD1-CB 3.57Å; Y264-A268 WeakPolarHBondContact O-CB 3.05Å; Y264-A268 PolarHBondContact O-N 3.08Å; L265-A268 PolarHBondContact O-N 2.79Å; A268-E270 PolarHBondContact O-N 2.88Å; A268-S271 VanDerWaalsContact O-CB 3.31Å; A268-S271 WeakPolarHBondContact O-CB 3.4Å; A268-S271 PolarHBondContact O-N 2.82Å |
| 269 | L | 86.1 | Confident | 87.8 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.4 | -22 | 174.4 | -76.3 | 171.2 | 0 | 0 | 0 | 113.1 | G25 A27 L265 S271 V277 F303 | G25-L269 VanDerWaalsContact CA-O 3.32Å; G25-L269 WeakPolarHBondContact CA-O 3.15Å; A27-L269 HydrophobicContact CB-CD1 4.12Å; L265-L269 WeakPolarHBondContact O-CB 3.33Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 3.01Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-V277 HydrophobicContact CD2-CB 4.21Å; L269-V277 HydrophobicContact CD2-CG2 3.62Å; L269-F303 HydrophobicContact CD1-CE2 3.92Å; L269-F303 HydrophobicContact CD1-CZ 4.1Å |
| 270 | E | 84.1 | Confident | 88 | Confident | 125 Ų | 125 | 43.3 Ų | 43.3 | 58% | 0.584 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -11.6 | 176.7 | -68.7 | 169.3 | -170.3 | 0 | 0 | 113 | R267 A268 R306 | R267-E270 PolarHBondContact O-N 2.95Å; A268-E270 PolarHBondContact O-N 2.88Å; E270-R306 IonicContact OE1-CZ 3.43Å; E270-R306 VanDerWaalsContact OE1-CZ 3.23Å; E270-R306 IonicContact OE1-NH1 3.07Å; E270-R306 PolarHBondContact OE1-NH1 3.32Å; E270-R306 IonicContact OE1-NH2 3.89Å; E270-R306 PolarHBondContact OE1-NH2 3.41Å |
| 271 | S | 82.3 | Confident | 88.1 | Confident | 55 Ų | 55 | 37.6 Ų | 37.6 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -69.8 | 145.8 | 177.8 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | A268 L269 F273 S274 | A268-S271 VanDerWaalsContact O-CB 3.31Å; A268-S271 WeakPolarHBondContact O-CB 3.4Å; A268-S271 PolarHBondContact O-N 2.82Å; L269-S271 VanDerWaalsContact C-N 3.32Å; S271-F273 PolarHBondContact O-N 3.2Å; S271-F273 PolarHBondContact OG-N 2.86Å; S271-S274 WeakPolarHBondContact O-CB 3.34Å; S271-S274 PolarHBondContact O-N 3Å |
| 272 | E | 76.5 | Confident | 88 | Confident | 148 Ų | 148 | 40.1 Ų | 40.1 | 69% | 0.692 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -58.6 | -30.9 | 173.8 | -63.6 | -176.2 | -179.7 | 0 | 0 | 112.2 | S274 | E272-S274 PolarHBondContact O-N 3.06Š|
| 273 | F | 80.2 | Confident | 87.8 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -99.5 | 60.5 | 177.2 | -56.5 | -83.5 | 0 | 0 | 0 | 110.1 | I82 N230 M233 I244 S271 | I82-F273 HydrophobicContact CD1-CB 4.01Å; I82-F273 WeakPolarHBondContact CD1-O 3.42Å; N230-F273 HydrophobicContact CB-CE2 4.46Å; M233-F273 HydrophobicContact CB-CE1 4.44Å; M233-F273 HydrophobicContact CB-CZ 4.42Å; I244-F273 HydrophobicContact CD1-CD1 4.11Å; I244-F273 HydrophobicContact CD1-CE1 3.53Å; S271-F273 PolarHBondContact O-N 3.2Å; S271-F273 PolarHBondContact OG-N 2.86Å |
| 274 | S | 82.1 | Confident | 87.5 | Confident | 28 Ų | 28 | 47.9 Ų | 47.9 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | trans | -103.7 | 127.4 | 174.9 | 71.4 | 0 | 0 | 0 | 0 | 111.2 | S271 E272 | S271-S274 WeakPolarHBondContact O-CB 3.34Å; S271-S274 PolarHBondContact O-N 3Å; E272-S274 PolarHBondContact O-N 3.06Å | ||
| 275 | P | 87.3 | Confident | 87.5 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | trans | -74.2 | 166.3 | 171 | 34.8 | -35.7 | 0 | 0 | 0 | 110.1 | I78 I82 L249 V277 | I78-P275 HydrophobicContact CG2-CG 4.14Å; I82-P275 HydrophobicContact CG1-CB 4.19Å; L249-P275 HydrophobicContact CB-CG 4.15Å; P275-V277 PolarHBondContact O-N 3.28Å | ||
| 276 | V | 87.4 | Confident | 87.3 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 114.9 | 173 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | I18 L23 G247 V248 L249 V278 | I18-V276 HydrophobicContact CB-CG2 4.34Å; I18-V276 HydrophobicContact CD1-CB 4.14Å; I18-V276 HydrophobicContact CD1-CG1 3.7Å; I18-V276 HydrophobicContact CD1-CG2 3.96Å; I18-V276 HydrophobicContact CG1-CB 4.37Å; I18-V276 HydrophobicContact CG1-CG1 4.04Å; I18-V276 HydrophobicContact CG1-CG2 3.7Å; I18-V276 HydrophobicContact CG2-CG2 3.82Å; L23-V276 HydrophobicContact CD2-CG1 3.92Å; G247-V276 PolarHBondContact O-N 2.87Å; V248-V276 WeakPolarHBondContact CA-O 3.43Å; L249-V276 PolarHBondContact N-O 2.87Å; V276-V278 HydrophobicContact CG1-CG2 4.34Å |
| 277 | V | 91 | Very high | 87.4 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 117.7 | -179.5 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | A27 V28 L249 I251 L269 P275 M279 | A27-V277 CarbonylContact C-O 3.57Å; A27-V277 WeakPolarHBondContact CA-O 3.33Å; A27-V277 HydrophobicContact CB-CB 3.87Å; A27-V277 HydrophobicContact CB-CG1 4.3Å; A27-V277 WeakPolarHBondContact CB-O 3.48Å; V28-V277 PolarHBondContact N-O 2.82Å; L249-V277 HydrophobicContact CB-CG2 4.33Å; L249-V277 HydrophobicContact CD2-CG2 4.23Å; L249-V277 CarbonylContact O-C 3.45Å; L249-V277 WeakPolarHBondContact O-CA 3.27Å; I251-V277 HydrophobicContact CD1-CG1 4.33Å; L269-V277 HydrophobicContact CD2-CB 4.21Å; L269-V277 HydrophobicContact CD2-CG2 3.62Å; P275-V277 PolarHBondContact O-N 3.28Å; V277-M279 HydrophobicContact CG1-CE 4.09Å; V277-M279 HydrophobicContact CG1-CG 4.03Å; V277-M279 HydrophobicContact CG1-SD 4.17Å |
| 278 | V | 92.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.9 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | V28 L30 A42 M45 V248 L249 F250 I251 V276 | V28-V278 HydrophobicContact CB-CG2 4.41Å; V28-V278 CarbonylContact O-C 3.58Å; V28-V278 WeakPolarHBondContact O-CA 3.25Å; L30-V278 HydrophobicContact CD1-CG1 4.03Å; L30-V278 HydrophobicContact CG-CG1 4.1Å; A42-V278 HydrophobicContact CB-CG1 4.35Å; M45-V278 HydrophobicContact CE-CG2 4.32Å; V248-V278 HydrophobicContact CG1-CB 4.33Å; V248-V278 HydrophobicContact CG1-CG2 3.79Å; L249-V278 PolarHBondContact O-N 2.91Å; F250-V278 CarbonylContact C-O 3.57Å; F250-V278 WeakPolarHBondContact CA-O 3.18Å; F250-V278 HydrophobicContact CD2-CB 4.1Å; F250-V278 HydrophobicContact CD2-CG1 3.88Å; F250-V278 WeakPolarHBondContact CD2-O 3.41Å; F250-V278 HydrophobicContact CE2-CG1 4.25Å; I251-V278 PolarHBondContact N-O 2.75Å; V276-V278 HydrophobicContact CG1-CG2 4.34Å |
| 279 | M | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 150 | -179.6 | -72.4 | 161.1 | -67.2 | 0 | 0 | 110.6 | A27 V28 L29 L30 I251 V254 V277 F303 L307 | A27-M279 HydrophobicContact CB-CE 3.51Å; V28-M279 PolarHBondContact O-N 2.77Å; L29-M279 CarbonylContact C-O 3.59Å; L29-M279 HydrophobicContact CD1-CB 3.79Å; L30-M279 PolarHBondContact N-O 3.19Å; I251-M279 HydrophobicContact CB-CG 4.07Å; I251-M279 HydrophobicContact CD1-CG 4.48Å; I251-M279 CarbonylContact O-C 3.52Å; I251-M279 WeakPolarHBondContact O-CA 3.41Å; V254-M279 HydrophobicContact CB-CB 4.16Å; V254-M279 HydrophobicContact CB-CG 4.34Å; V254-M279 HydrophobicContact CG1-CB 4.35Å; V254-M279 HydrophobicContact CG2-CB 4.15Å; V254-M279 HydrophobicContact CG2-CG 3.86Å; V254-M279 HydrophobicContact CG2-SD 3.73Å; V277-M279 HydrophobicContact CG1-CE 4.09Å; V277-M279 HydrophobicContact CG1-CG 4.03Å; V277-M279 HydrophobicContact CG1-SD 4.17Å; M279-F303 HydrophobicContact CE-CE1 3.53Å; M279-F303 HydrophobicContact CE-CZ 3.93Å; M279-F303 HydrophobicContact SD-CE1 3.55Å; M279-F303 VanDerWaalsContact SD-CE1 3.55Å; M279-F303 HydrophobicContact SD-CZ 3.93Å; M279-L307 HydrophobicContact CE-CD1 4.19Å; M279-L307 HydrophobicContact CE-CD2 3.35Å; M279-L307 HydrophobicContact CE-CG 4.41Å |
| 280 | A | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L30 K38 F250 I251 E253 V254 | L30-A280 HydrophobicContact CB-CB 4.44Å; L30-A280 WeakPolarHBondContact O-CA 3.44Å; K38-A280 HydrophobicContact CB-CB 4.33Å; K38-A280 HydrophobicContact CD-CB 4.38Å; F250-A280 HydrophobicContact CE2-CB 3.93Å; F250-A280 HydrophobicContact CZ-CB 3.78Å; I251-A280 PolarHBondContact O-N 2.86Å; E253-A280 PolarHBondContact N-O 3.33Å; V254-A280 PolarHBondContact N-O 3.06Å |
| 281 | T | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 138.2 | 174.3 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | L29 L30 A31 G32 K38 R283 Y297 | L29-T281 HydrophobicContact CD1-CG2 3.96Å; L29-T281 HydrophobicContact CD2-CG2 4.31Å; L29-T281 HydrophobicContact CG-CG2 4.27Å; L30-T281 PolarHBondContact O-N 3.17Å; A31-T281 HydrophobicContact CB-CG2 3.99Å; G32-T281 PolarHBondContact N-O 3.17Å; K38-T281 WeakPolarHBondContact CD-O 3.26Å; K38-T281 WeakPolarHBondContact CE-O 3.36Å; K38-T281 PolarHBondContact NZ-O 2.91Å; T281-R283 PolarHBondContact OG1-N 2.95Å; T281-R283 PolarHBondContact OG1-O 3.38Å; T281-Y297 HydrophobicContact CG2-CD1 3.44Å; T281-Y297 VanDerWaalsContact CG2-CD1 3.44Å; T281-Y297 HydrophobicContact CG2-CE1 4.25Å; T281-Y297 HydrophobicContact CG2-CG 3.93Å |
| 282 | N | 89.8 | Confident | 88.1 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -99.6 | -8.4 | 175.2 | -64.7 | -43.7 | 0 | 0 | 0 | 112.5 | K38 | K38-N282 WeakPolarHBondContact CE-OD1 3.27Å; K38-N282 PolarHBondContact NZ-OD1 3.48Å |
| 283 | R | 87.1 | Confident | 88.6 | Confident | 122 Ų | 122 | 48.5 Ų | 48.5 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | trans | -108.8 | 137.2 | -175.5 | -61.3 | -168.2 | -174.5 | -159.3 | -1.6 | 110.3 | H255 T281 Y297 | H255-R283 WeakPolarHBondContact CD2-CD 3.4Å; H255-R283 PolarHBondContact CD2-NE 3.08Å; H255-R283 PolarHBondContact NE2-NE 3.4Å; H255-R283 VanDerWaalsContact NE2-NE 3.14Å; T281-R283 PolarHBondContact OG1-N 2.95Å; T281-R283 PolarHBondContact OG1-O 3.38Å; R283-Y297 VanDerWaalsContact O-CD1 3.27Å; R283-Y297 WeakPolarHBondContact O-CD1 3.37Å | ||
| 284 | T | 85.5 | Confident | 89 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 64% | 0.644 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -84.9 | -41.9 | 176.7 | 47.8 | 0 | 0 | 0 | 0 | 112.4 | P296 Y297 | T284-P296 WeakPolarHBondContact O-CA 3.38Å; T284-Y297 PolarHBondContact O-N 2.94Å |
| 285 | V | 88.9 | Confident | 89.3 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 52% | 0.521 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 131.3 | 174.8 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | E294 | V285-E294 HydrophobicContact CG1-CB 4.22Å |
| 286 | S | 88.5 | Confident | 89.5 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 151.7 | 175.7 | -170.6 | 0 | 0 | 0 | 0 | 109.1 | S295 | S286-S295 PolarHBondContact N-O 3.4Å; S286-S295 PolarHBondContact O-N 3.33Å; S286-S295 VanDerWaalsContact O-O 3.07Å |
| 287 | K | 91.3 | Very high | 89.6 | Confident | 101 Ų | 101 | 57.8 Ų | 57.8 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 131.2 | 168.1 | -177.3 | 173.4 | 176.1 | 163.3 | 0 | 109.4 | R289 T291 N292 | K287-R289 PolarHBondContact O-N 2.88Å; K287-T291 WeakPolarHBondContact CE-O 2.77Å; K287-N292 PolarHBondContact NZ-OD1 2.98Å |
| 288 | V | 89.7 | Confident | 89.4 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 121.8 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | V259 G290 T291 T293 S295 | V259-V288 HydrophobicContact CB-CG1 4.4Å; V288-G290 PolarHBondContact O-N 2.92Å; V288-T291 WeakPolarHBondContact CB-OG1 3.18Å; V288-T291 PolarHBondContact O-N 3Å; V288-T291 VanDerWaalsContact O-N 3.08Å; V288-T291 PolarHBondContact O-OG1 3.5Å; V288-T291 VanDerWaalsContact O-OG1 3.06Å; V288-T293 PolarHBondContact N-O 3.47Å; V288-S295 WeakPolarHBondContact CG2-OG 3.43Å |
| 289 | R | 87.8 | Confident | 89.3 | Confident | 103 Ų | 103 | 57.6 Ų | 57.6 | 39% | 0.389 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -64.4 | 135.1 | -178.1 | -59.8 | -176.6 | 72.3 | -169.4 | -2.1 | 110.1 | Y64 M256 D258 V259 K287 | Y64-R289 VanDerWaalsContact CE2-NH1 3.33Å; Y64-R289 PolarHBondContact OH-NH1 3.21Å; M256-R289 WeakPolarHBondContact O-CD 3.17Å; M256-R289 PolarHBondContact O-NH1 3.41Å; D258-R289 WeakPolarHBondContact CA-O 3.37Å; D258-R289 HydrophobicContact CB-CB 4.23Å; V259-R289 PolarHBondContact N-O 3.07Å; K287-R289 PolarHBondContact O-N 2.88Å |
| 290 | G | 87.5 | Confident | 89.1 | Confident | 74 Ų | 74 | 58.5 Ų | 58.5 | 76% | 0.763 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -11.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V288 | V288-G290 PolarHBondContact O-N 2.92Š|
| 291 | T | 89.4 | Confident | 88.7 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 27% | 0.27 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -127.7 | 168.6 | 175.5 | 71 | 0 | 0 | 0 | 0 | 111.1 | V259 K287 V288 T293 | V259-T291 HydrophobicContact CB-CG2 4.34Å; V259-T291 HydrophobicContact CG1-CG2 4.42Å; V259-T291 HydrophobicContact CG2-CG2 4.42Å; K287-T291 WeakPolarHBondContact CE-O 2.77Å; V288-T291 WeakPolarHBondContact CB-OG1 3.18Å; V288-T291 PolarHBondContact O-N 3Å; V288-T291 VanDerWaalsContact O-N 3.08Å; V288-T291 PolarHBondContact O-OG1 3.5Å; V288-T291 VanDerWaalsContact O-OG1 3.06Å; T291-T293 PolarHBondContact OG1-OG1 3.41Å; T291-T293 VanDerWaalsContact OG1-OG1 3.1Å |
| 292 | N | 87.5 | Confident | 88.5 | Confident | 143 Ų | 143 | 64.7 Ų | 64.7 | 77% | 0.765 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -95.2 | 1.5 | 174.5 | -74.3 | -30.1 | 0 | 0 | 0 | 114.2 | K287 | K287-N292 PolarHBondContact NZ-OD1 2.98Š|
| 293 | T | 86.9 | Confident | 88.5 | Confident | 90 Ų | 90 | 62.1 Ų | 62.1 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | trans | -90.7 | 133.8 | -176 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | V288 T291 | V288-T293 PolarHBondContact N-O 3.47Å; T291-T293 PolarHBondContact OG1-OG1 3.41Å; T291-T293 VanDerWaalsContact OG1-OG1 3.1Å | ||
| 294 | E | 88.6 | Confident | 88.5 | Confident | 151 Ų | 151 | 57.5 Ų | 57.5 | 71% | 0.706 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 135.8 | 167.2 | -63.3 | -170.1 | 166.5 | 0 | 0 | 109.7 | V285 | V285-E294 HydrophobicContact CG1-CB 4.22Å |
| 295 | S | 89.3 | Confident | 88.6 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 156.8 | 177.3 | 76.5 | 0 | 0 | 0 | 0 | 110.4 | S286 V288 Y297 G298 I299 | S286-S295 PolarHBondContact N-O 3.4Å; S286-S295 PolarHBondContact O-N 3.33Å; S286-S295 VanDerWaalsContact O-O 3.07Å; V288-S295 WeakPolarHBondContact CG2-OG 3.43Å; S295-Y297 PolarHBondContact O-N 3.47Å; S295-G298 PolarHBondContact O-N 2.76Å; S295-G298 WeakPolarHBondContact OG-CA 3.36Å; S295-I299 WeakPolarHBondContact CB-O 3.33Å; S295-I299 PolarHBondContact OG-N 2.91Å; S295-I299 PolarHBondContact OG-O 3.13Å |
| 296 | P | 89.7 | Confident | 88.5 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 133.5 | 173 | 23.4 | -27.8 | 0 | 0 | 0 | 109.1 | T284 G298 I299 L304 | T284-P296 WeakPolarHBondContact O-CA 3.38Å; P296-G298 PolarHBondContact O-N 2.88Å; P296-I299 PolarHBondContact O-N 3.14Å; P296-L304 HydrophobicContact CG-CD1 3.67Å |
| 297 | Y | 89.5 | Confident | 88.6 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -0.7 | -177.2 | -49.3 | -63.2 | 0 | 0 | 0 | 116.6 | L29 A31 H255 T281 R283 T284 S295 L304 I309 | L29-Y297 HydrophobicContact CD2-CD2 3.71Å; L29-Y297 HydrophobicContact CD2-CE2 4.23Å; L29-Y297 HydrophobicContact CD2-CG 3.88Å; A31-Y297 HydrophobicContact CB-CD1 4.13Å; A31-Y297 HydrophobicContact CB-CE1 3.52Å; H255-Y297 WeakPolarHBondContact CB-O 3.45Å; T281-Y297 HydrophobicContact CG2-CD1 3.44Å; T281-Y297 VanDerWaalsContact CG2-CD1 3.44Å; T281-Y297 HydrophobicContact CG2-CE1 4.25Å; T281-Y297 HydrophobicContact CG2-CG 3.93Å; R283-Y297 VanDerWaalsContact O-CD1 3.27Å; R283-Y297 WeakPolarHBondContact O-CD1 3.37Å; T284-Y297 PolarHBondContact O-N 2.94Å; S295-Y297 PolarHBondContact O-N 3.47Å; Y297-L304 HydrophobicContact CD2-CD2 4.2Å; Y297-I309 HydrophobicContact CE2-CD1 4.04Å; Y297-I309 HydrophobicContact CE2-CG2 4.49Å |
| 298 | G | 87.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 24.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S295 P296 | S295-G298 PolarHBondContact O-N 2.76Å; S295-G298 WeakPolarHBondContact OG-CA 3.36Å; P296-G298 PolarHBondContact O-N 2.88Å |
| 299 | I | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -110.4 | 136.9 | -179.9 | -58.5 | 177.9 | 0 | 0 | 0 | 108.5 | L29 V254 F262 S295 P296 F303 L304 L307 | L29-I299 HydrophobicContact CD1-CD1 3.97Å; L29-I299 HydrophobicContact CD2-CD1 3.8Å; V254-I299 HydrophobicContact CG1-CD1 4.02Å; V254-I299 HydrophobicContact CG1-CG1 4.34Å; F262-I299 HydrophobicContact CD1-CG2 4.37Å; F262-I299 HydrophobicContact CE1-CB 4.46Å; F262-I299 HydrophobicContact CE1-CG1 4.1Å; F262-I299 HydrophobicContact CE1-CG2 4Å; F262-I299 HydrophobicContact CZ-CB 4.32Å; F262-I299 HydrophobicContact CZ-CG1 3.88Å; F262-I299 HydrophobicContact CZ-CG2 4.32Å; S295-I299 WeakPolarHBondContact CB-O 3.33Å; S295-I299 PolarHBondContact OG-N 2.91Å; S295-I299 PolarHBondContact OG-O 3.13Å; P296-I299 PolarHBondContact O-N 3.14Å; I299-F303 HydrophobicContact CG2-CB 3.82Å; I299-F303 HydrophobicContact CG2-CD1 3.58Å; I299-F303 HydrophobicContact CG2-CG 4.13Å; I299-L304 HydrophobicContact CB-CD2 3.81Å; I299-L304 HydrophobicContact CB-CG 3.94Å; I299-L304 HydrophobicContact CD1-CD2 4.12Å; I299-L304 HydrophobicContact CG1-CD2 4.5Å; I299-L304 HydrophobicContact CG2-CD2 3.91Å; I299-L304 HydrophobicContact CG2-CG 3.8Å; I299-L307 HydrophobicContact CD1-CD1 3.76Å; I299-L307 HydrophobicContact CG2-CD1 4.41Å | ||
| 300 | P | 90.6 | Very high | 89 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | trans | -66.3 | 149.7 | 176.2 | 28.1 | -32.6 | 0 | 0 | 0 | 111.6 | F262 D302 F303 L304 | F262-P300 HydrophobicContact CB-CG 3.87Å; F262-P300 VanDerWaalsContact CD2-CD 3.44Å; F262-P300 HydrophobicContact CD2-CG 3.97Å; F262-P300 HydrophobicContact CG-CG 3.96Å; P300-D302 VanDerWaalsContact C-N 3.29Å; P300-D302 WeakPolarHBondContact CB-OD1 2.93Å; P300-D302 WeakPolarHBondContact CG-OD1 3.12Å; P300-D302 PolarHBondContact O-N 3.31Å; P300-F303 HydrophobicContact CG-CB 4.39Å; P300-F303 PolarHBondContact O-N 2.65Å; P300-F303 VanDerWaalsContact O-N 3.15Å; P300-L304 PolarHBondContact O-N 3.33Å | ||
| 301 | G | 86.3 | Confident | 89.2 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -33 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F303 L304 D305 | G301-F303 VanDerWaalsContact C-N 3.34Å; G301-F303 PolarHBondContact O-N 2.85Å; G301-L304 PolarHBondContact O-N 3.48Å; G301-D305 PolarHBondContact O-N 3.29Å |
| 302 | D | 87.3 | Confident | 89.2 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 174.4 | 61.8 | -36.1 | 0 | 0 | 0 | 112.7 | N266 P300 | N266-D302 PolarHBondContact ND2-OD2 3.44Å; N266-D302 VanDerWaalsContact ND2-OD2 3.1Å; P300-D302 VanDerWaalsContact C-N 3.29Å; P300-D302 WeakPolarHBondContact CB-OD1 2.93Å; P300-D302 WeakPolarHBondContact CG-OD1 3.12Å; P300-D302 PolarHBondContact O-N 3.31Å |
| 303 | F | 89.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -75.9 | -36.2 | 179.6 | -165.4 | -92.7 | 0 | 0 | 0 | 110.7 | F262 L265 N266 L269 M279 I299 P300 G301 D305 R306 L307 | F262-F303 AromaticContact CD1-CD1 3.91Å; F262-F303 HydrophobicContact CD1-CD1 3.91Å; F262-F303 HydrophobicContact CD1-CD2 4.23Å; F262-F303 HydrophobicContact CD1-CE1 4.1Å; F262-F303 AromaticContact CD1-CG 3.98Å; F262-F303 HydrophobicContact CD1-CG 3.98Å; F262-F303 HydrophobicContact CD1-CZ 4.45Å; F262-F303 HydrophobicContact CE1-CD1 4.18Å; F262-F303 HydrophobicContact CE1-CE1 4.25Å; L265-F303 HydrophobicContact CB-CE2 3.81Å; L265-F303 HydrophobicContact CB-CZ 4.25Å; N266-F303 HydrophobicContact CB-CD2 4.43Å; N266-F303 VanDerWaalsContact CG-CD2 3.46Å; N266-F303 WeakPolarHBondContact OD1-CD2 3.43Å; L269-F303 HydrophobicContact CD1-CE2 3.92Å; L269-F303 HydrophobicContact CD1-CZ 4.1Å; M279-F303 HydrophobicContact CE-CE1 3.53Å; M279-F303 HydrophobicContact CE-CZ 3.93Å; M279-F303 HydrophobicContact SD-CE1 3.55Å; M279-F303 VanDerWaalsContact SD-CE1 3.55Å; M279-F303 HydrophobicContact SD-CZ 3.93Å; I299-F303 HydrophobicContact CG2-CB 3.82Å; I299-F303 HydrophobicContact CG2-CD1 3.58Å; I299-F303 HydrophobicContact CG2-CG 4.13Å; P300-F303 HydrophobicContact CG-CB 4.39Å; P300-F303 PolarHBondContact O-N 2.65Å; P300-F303 VanDerWaalsContact O-N 3.15Å; G301-F303 VanDerWaalsContact C-N 3.34Å; G301-F303 PolarHBondContact O-N 2.85Å; F303-D305 VanDerWaalsContact C-N 3.3Å; F303-D305 PolarHBondContact O-N 3.42Å; F303-R306 PolarHBondContact O-N 2.7Å; F303-R306 VanDerWaalsContact O-N 3.11Å; F303-L307 HydrophobicContact CD1-CD1 3.86Å; F303-L307 HydrophobicContact CD1-CD2 3.96Å; F303-L307 HydrophobicContact CD1-CG 4.06Å; F303-L307 HydrophobicContact CE1-CD1 4.01Å; F303-L307 HydrophobicContact CE1-CD2 3.58Å; F303-L307 HydrophobicContact CE1-CG 4.16Å; F303-L307 HydrophobicContact CZ-CD2 4.27Å; F303-L307 WeakPolarHBondContact O-CG 3.46Å |
| 304 | L | 88 | Confident | 89.3 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 13% | 0.131 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58 | -38 | 178.7 | -76.8 | 173.3 | 0 | 0 | 0 | 113.4 | P296 Y297 I299 P300 G301 R306 L307 | P296-L304 HydrophobicContact CG-CD1 3.67Å; Y297-L304 HydrophobicContact CD2-CD2 4.2Å; I299-L304 HydrophobicContact CB-CD2 3.81Å; I299-L304 HydrophobicContact CB-CG 3.94Å; I299-L304 HydrophobicContact CD1-CD2 4.12Å; I299-L304 HydrophobicContact CG1-CD2 4.5Å; I299-L304 HydrophobicContact CG2-CD2 3.91Å; I299-L304 HydrophobicContact CG2-CG 3.8Å; P300-L304 PolarHBondContact O-N 3.33Å; G301-L304 PolarHBondContact O-N 3.48Å; L304-R306 PolarHBondContact O-N 2.88Å; L304-L307 HydrophobicContact CD2-CD1 4.15Å; L304-L307 WeakPolarHBondContact O-CB 3.48Å; L304-L307 PolarHBondContact O-N 3.33Å |
| 305 | D | 86.8 | Confident | 89.4 | Confident | 149 Ų | 149 | 53.2 Ų | 53.2 | 80% | 0.797 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.3 | 179.7 | -72.1 | -18.7 | 0 | 0 | 0 | 112.9 | G301 F303 | G301-D305 PolarHBondContact O-N 3.29Å; F303-D305 VanDerWaalsContact C-N 3.3Å; F303-D305 PolarHBondContact O-N 3.42Å |
| 306 | R | 87.1 | Confident | 89.5 | Confident | 86 Ų | 86 | 55 Ų | 55 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4.9 | 176.2 | -59.4 | -178.5 | 179.4 | -160.8 | -5 | 113.1 | A27 N266 E270 F303 L304 | A27-R306 PolarHBondContact N-O 2.75Å; N266-R306 PolarHBondContact O-NH1 3.42Å; N266-R306 WeakPolarHBondContact OD1-CD 3.4Å; N266-R306 PolarHBondContact OD1-NH1 3.06Å; E270-R306 IonicContact OE1-CZ 3.43Å; E270-R306 VanDerWaalsContact OE1-CZ 3.23Å; E270-R306 IonicContact OE1-NH1 3.07Å; E270-R306 PolarHBondContact OE1-NH1 3.32Å; E270-R306 IonicContact OE1-NH2 3.89Å; E270-R306 PolarHBondContact OE1-NH2 3.41Å; F303-R306 PolarHBondContact O-N 2.7Å; F303-R306 VanDerWaalsContact O-N 3.11Å; L304-R306 PolarHBondContact O-N 2.88Å |
| 307 | L | 90.4 | Very high | 89.4 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.7 | -173.6 | -57.7 | -174.8 | 0 | 0 | 0 | 113.9 | A27 L29 M279 I299 F303 L304 I309 | A27-L307 HydrophobicContact CB-CD2 3.5Å; A27-L307 CarbonylContact O-C 3.49Å; A27-L307 WeakPolarHBondContact O-CA 3.42Å; L29-L307 HydrophobicContact CB-CB 4.41Å; L29-L307 HydrophobicContact CB-CD1 4.03Å; L29-L307 HydrophobicContact CD2-CD1 4.12Å; M279-L307 HydrophobicContact CE-CD1 4.19Å; M279-L307 HydrophobicContact CE-CD2 3.35Å; M279-L307 HydrophobicContact CE-CG 4.41Å; I299-L307 HydrophobicContact CD1-CD1 3.76Å; I299-L307 HydrophobicContact CG2-CD1 4.41Å; F303-L307 HydrophobicContact CD1-CD1 3.86Å; F303-L307 HydrophobicContact CD1-CD2 3.96Å; F303-L307 HydrophobicContact CD1-CG 4.06Å; F303-L307 HydrophobicContact CE1-CD1 4.01Å; F303-L307 HydrophobicContact CE1-CD2 3.58Å; F303-L307 HydrophobicContact CE1-CG 4.16Å; F303-L307 HydrophobicContact CZ-CD2 4.27Å; F303-L307 WeakPolarHBondContact O-CG 3.46Å; L304-L307 HydrophobicContact CD2-CD1 4.15Å; L304-L307 WeakPolarHBondContact O-CB 3.48Å; L304-L307 PolarHBondContact O-N 3.33Å; L307-I309 HydrophobicContact CB-CG1 4.45Å |
| 308 | I | 90.9 | Very high | 89.5 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 108.8 | 163.5 | -59.1 | 173 | 0 | 0 | 0 | 108 | L23 A27 V28 L29 | L23-I308 HydrophobicContact CD1-CD1 4.15Å; A27-I308 PolarHBondContact O-N 2.93Å; V28-I308 CarbonylContact C-O 3.49Å; V28-I308 WeakPolarHBondContact CA-O 3.48Å; V28-I308 HydrophobicContact CG2-CB 4.45Å; L29-I308 PolarHBondContact N-O 3.36Å |
| 309 | I | 92.6 | Very high | 89.7 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.3 | -177.6 | -57.2 | 166.5 | 0 | 0 | 0 | 110.5 | L29 A31 Y297 L307 K311 | L29-I309 HydrophobicContact CB-CG1 4.26Å; L29-I309 HydrophobicContact CD2-CG1 4.15Å; L29-I309 CarbonylContact O-C 3.57Å; L29-I309 WeakPolarHBondContact O-CA 3.47Å; A31-I309 HydrophobicContact CB-CG2 4.1Å; Y297-I309 HydrophobicContact CE2-CD1 4.04Å; Y297-I309 HydrophobicContact CE2-CG2 4.49Å; L307-I309 HydrophobicContact CB-CG1 4.45Å; I309-K311 HydrophobicContact CG2-CG 4.22Å |
| 310 | I | 93.4 | Very high | 89.7 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 5% | 0.046 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.3 | 171.2 | -56.2 | 177.2 | 0 | 0 | 0 | 108.6 | A7 A10 V14 V28 L29 L30 A31 | A7-I310 HydrophobicContact CB-CG2 3.7Å; A10-I310 HydrophobicContact CB-CD1 3.87Å; A10-I310 HydrophobicContact CB-CG1 4Å; A10-I310 HydrophobicContact CB-CG2 3.93Å; V14-I310 HydrophobicContact CG2-CD1 4.15Å; V28-I310 HydrophobicContact CG1-CD1 3.68Å; V28-I310 HydrophobicContact CG1-CG1 4.12Å; L29-I310 PolarHBondContact O-N 2.77Å; L30-I310 HydrophobicContact CD2-CB 3.84Å; L30-I310 HydrophobicContact CD2-CD1 4.03Å; L30-I310 HydrophobicContact CD2-CG1 4.4Å; L30-I310 HydrophobicContact CD2-CG2 4.23Å; A31-I310 PolarHBondContact N-O 3.41Å |
| 311 | K | 92.3 | Very high | 89.7 | Confident | 147 Ų | 147 | 62.3 Ų | 62.3 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.4 | 177.2 | -64.2 | -177.9 | -178.3 | 177.6 | 0 | 110.8 | A31 I309 | A31-K311 CarbonylContact O-C 3.54Å; A31-K311 WeakPolarHBondContact O-CA 3.46Å; I309-K311 HydrophobicContact CG2-CG 4.22Å |
| 312 | S | 89.3 | Confident | 90 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 8% | 0.077 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 133.8 | 173.3 | 56 | 0 | 0 | 0 | 0 | 109.8 | A31 G32 S36 | A31-S312 PolarHBondContact O-N 3.39Å; A31-S312 PolarHBondContact O-OG 2.92Å; G32-S312 WeakPolarHBondContact CA-OG 3.22Å; S36-S312 WeakPolarHBondContact OG-CB 3.43Å; S36-S312 PolarHBondContact OG-OG 2.95Å |
| 313 | Q | 89.2 | Confident | 90.2 | Very high | 130 Ų | 130 | 61.7 Ų | 61.7 | 61% | 0.607 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -91.4 | 154.9 | 175.4 | -67 | 177.9 | -13.6 | 0 | 0 | 110.7 | Q4 | Q4-Q313 PolarHBondContact NE2-O 3.49Å; Q4-Q313 VanDerWaalsContact OE1-N 3.13Å |
| 314 | P | 88.1 | Confident | 90.1 | Very high | 103 Ų | 103 | 61.7 Ų | 61.7 | 67% | 0.669 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 146.6 | 167.9 | 28.1 | -34.1 | 0 | 0 | 0 | 110.5 | P33 | P33-P314 HydrophobicContact CG-CB 4.49Š|
| 315 | Y | 90.3 | Very high | 90.2 | Very high | 46 Ų | 46 | 65 Ų | 65 | 18% | 0.18 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 147.6 | 179.6 | -72.2 | -67 | 0 | 0 | 0 | 112 | V2 Q4 G35 S36 D319 I323 L352 | V2-Y315 WeakPolarHBondContact O-CE1 3.31Å; Q4-Y315 HydrophobicContact CB-CE1 4.24Å; G35-Y315 VanDerWaalsContact O-CE2 3.31Å; G35-Y315 WeakPolarHBondContact O-CE2 3.49Å; S36-Y315 PolarHBondContact O-OH 2.81Å; Y315-D319 HydrophobicContact CD1-CB 3.8Å; Y315-D319 HydrophobicContact CG-CB 4.29Å; Y315-I323 HydrophobicContact CD1-CD1 4.08Å; Y315-I323 HydrophobicContact CD2-CD1 4.06Å; Y315-I323 HydrophobicContact CE1-CD1 4.07Å; Y315-I323 HydrophobicContact CE2-CD1 4.05Å; Y315-I323 HydrophobicContact CG-CD1 4.07Å; Y315-L352 HydrophobicContact CD2-CD2 4.3Å; Y315-L352 HydrophobicContact CE2-CD2 4.35Å |
| 316 | S | 89.9 | Confident | 90.5 | Very high | 52 Ų | 52 | 61.4 Ų | 61.4 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 164.8 | 169.4 | 69.7 | 0 | 0 | 0 | 0 | 111.3 | E318 D319 I320 | S316-E318 PolarHBondContact O-N 2.79Å; S316-D319 PolarHBondContact O-N 3.37Å; S316-D319 WeakPolarHBondContact OG-CB 3.44Å; S316-D319 VanDerWaalsContact OG-CG 3.3Å; S316-D319 PolarHBondContact OG-N 3Å; S316-D319 VanDerWaalsContact OG-N 3.11Å; S316-D319 PolarHBondContact OG-OD2 3.3Å; S316-I320 VanDerWaalsContact O-CG1 3.32Å; S316-I320 WeakPolarHBondContact O-CG1 3.49Å; S316-I320 PolarHBondContact O-N 3.37Å |
| 317 | S | 89.4 | Confident | 90.6 | Very high | 55 Ų | 55 | 61.8 Ų | 61.8 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 173.7 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | I320 F321 T344 | S317-I320 PolarHBondContact O-N 2.86Å; S317-F321 PolarHBondContact O-N 3.11Å; S317-T344 VanDerWaalsContact O-CG2 3.25Å; S317-T344 WeakPolarHBondContact O-CG2 3.31Å |
| 318 | E | 91.1 | Very high | 90.5 | Very high | 141 Ų | 141 | 61.3 Ų | 61.3 | 66% | 0.659 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | 177.1 | -62.8 | 179.2 | -179.6 | 0 | 0 | 111.5 | S316 I320 F321 H322 | S316-E318 PolarHBondContact O-N 2.79Å; E318-I320 VanDerWaalsContact C-N 3.35Å; E318-I320 PolarHBondContact O-N 3.45Å; E318-F321 WeakPolarHBondContact O-CB 3.45Å; E318-F321 PolarHBondContact O-N 3.26Å; E318-H322 PolarHBondContact O-CD2 3.13Å; E318-H322 PolarHBondContact O-N 3.26Å |
| 319 | D | 91.2 | Very high | 90.4 | Very high | 39 Ų | 39 | 66 Ų | 66 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 176.2 | -77.1 | -26.3 | 0 | 0 | 0 | 111 | V2 G3 Y315 S316 F321 H322 I323 | V2-D319 HydrophobicContact CG1-CB 4.41Å; G3-D319 WeakPolarHBondContact CA-OD1 3.37Å; Y315-D319 HydrophobicContact CD1-CB 3.8Å; Y315-D319 HydrophobicContact CG-CB 4.29Å; S316-D319 PolarHBondContact O-N 3.37Å; S316-D319 WeakPolarHBondContact OG-CB 3.44Å; S316-D319 VanDerWaalsContact OG-CG 3.3Å; S316-D319 PolarHBondContact OG-N 3Å; S316-D319 VanDerWaalsContact OG-N 3.11Å; S316-D319 PolarHBondContact OG-OD2 3.3Å; D319-F321 VanDerWaalsContact C-N 3.33Å; D319-F321 PolarHBondContact O-N 3.45Å; D319-H322 PolarHBondContact O-N 3.43Å; D319-I323 WeakPolarHBondContact O-CB 3.48Å; D319-I323 WeakPolarHBondContact O-CD1 3.23Å; D319-I323 WeakPolarHBondContact O-CG1 3.49Å; D319-I323 PolarHBondContact O-N 3.45Å |
| 320 | I | 90.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.062 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 178.2 | -67.2 | 167 | 0 | 0 | 0 | 110.7 | S316 S317 E318 H322 I323 I324 T344 M348 L352 | S316-I320 VanDerWaalsContact O-CG1 3.32Å; S316-I320 WeakPolarHBondContact O-CG1 3.49Å; S316-I320 PolarHBondContact O-N 3.37Å; S317-I320 PolarHBondContact O-N 2.86Å; E318-I320 VanDerWaalsContact C-N 3.35Å; E318-I320 PolarHBondContact O-N 3.45Å; I320-H322 PolarHBondContact O-N 2.99Å; I320-I323 PolarHBondContact O-N 3.06Å; I320-I324 HydrophobicContact CG2-CD1 3.8Å; I320-I324 HydrophobicContact CG2-CG1 4.47Å; I320-I324 WeakPolarHBondContact O-CG1 3.17Å; I320-I324 PolarHBondContact O-N 3.27Å; I320-T344 HydrophobicContact CB-CG2 4.05Å; I320-T344 HydrophobicContact CG2-CG2 3.82Å; I320-M348 HydrophobicContact CD1-CG 3.61Å; I320-L352 HydrophobicContact CG2-CD1 4.05Å |
| 321 | F | 91.1 | Very high | 89.9 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 177.6 | 179.8 | -95.2 | 0 | 0 | 0 | 111.6 | S317 E318 D319 I324 K325 A340 H341 T344 | S317-F321 PolarHBondContact O-N 3.11Å; E318-F321 WeakPolarHBondContact O-CB 3.45Å; E318-F321 PolarHBondContact O-N 3.26Å; D319-F321 VanDerWaalsContact C-N 3.33Å; D319-F321 PolarHBondContact O-N 3.45Å; F321-I324 PolarHBondContact O-N 3.26Å; F321-K325 PolarHBondContact O-N 3.35Å; F321-A340 HydrophobicContact CD2-CB 4.19Å; F321-A340 HydrophobicContact CE2-CB 3.57Å; F321-A340 HydrophobicContact CZ-CB 4.26Å; F321-H341 AromaticContact CD2-CE1 3.94Å; F321-H341 AromaticContact CD2-ND1 3.77Å; F321-H341 AromaticContact CE2-CE1 3.55Å; F321-H341 AromaticContact CE2-CG 3.98Å; F321-H341 AromaticContact CE2-ND1 3.66Å; F321-H341 AromaticContact CE2-NE2 3.81Å; F321-T344 WeakPolarHBondContact CA-OG1 3.39Å; F321-T344 HydrophobicContact CB-CG2 4.05Å; F321-T344 WeakPolarHBondContact CD2-OG1 3.36Å |
| 322 | H | 91.1 | Very high | 89.6 | Confident | 96 Ų | 96 | 70.9 Ų | 70.9 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 176.5 | -75.8 | -58.3 | 0 | 0 | 0 | 112.6 | V2 E318 D319 I320 K325 I326 | V2-H322 HydrophobicContact CG1-CB 3.72Å; V2-H322 HydrophobicContact CG2-CB 4.35Å; E318-H322 PolarHBondContact O-CD2 3.13Å; E318-H322 PolarHBondContact O-N 3.26Å; D319-H322 PolarHBondContact O-N 3.43Å; I320-H322 PolarHBondContact O-N 2.99Å; H322-K325 PolarHBondContact O-N 3.3Å; H322-I326 WeakPolarHBondContact O-CG1 3.43Å; H322-I326 PolarHBondContact O-N 3Å |
| 323 | I | 91.5 | Very high | 89.2 | Confident | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.108 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 175.5 | -68.8 | 162 | 0 | 0 | 0 | 110.4 | V2 Y315 D319 I320 K325 I326 R327 L352 | V2-I323 HydrophobicContact CB-CG1 3.87Å; V2-I323 HydrophobicContact CG1-CG1 4.25Å; V2-I323 HydrophobicContact CG2-CG1 4.35Å; Y315-I323 HydrophobicContact CD1-CD1 4.08Å; Y315-I323 HydrophobicContact CD2-CD1 4.06Å; Y315-I323 HydrophobicContact CE1-CD1 4.07Å; Y315-I323 HydrophobicContact CE2-CD1 4.05Å; Y315-I323 HydrophobicContact CG-CD1 4.07Å; D319-I323 WeakPolarHBondContact O-CB 3.48Å; D319-I323 WeakPolarHBondContact O-CD1 3.23Å; D319-I323 WeakPolarHBondContact O-CG1 3.49Å; D319-I323 PolarHBondContact O-N 3.45Å; I320-I323 PolarHBondContact O-N 3.06Å; I323-K325 VanDerWaalsContact C-N 3.33Å; I323-K325 PolarHBondContact O-N 3.36Å; I323-I326 PolarHBondContact O-N 2.92Å; I323-R327 WeakPolarHBondContact O-CG 3.32Å; I323-R327 PolarHBondContact O-N 3.33Å; I323-L352 HydrophobicContact CB-CD1 4.5Å; I323-L352 HydrophobicContact CD1-CD2 4.1Å; I323-L352 HydrophobicContact CG2-CD1 4.01Å; I323-L352 HydrophobicContact CG2-CD2 4.19Å |
| 324 | I | 89.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 177.2 | -71.7 | 165.4 | 0 | 0 | 0 | 109.9 | I320 F321 I326 R327 C328 L343 I359 | I320-I324 HydrophobicContact CG2-CD1 3.8Å; I320-I324 HydrophobicContact CG2-CG1 4.47Å; I320-I324 WeakPolarHBondContact O-CG1 3.17Å; I320-I324 PolarHBondContact O-N 3.27Å; F321-I324 PolarHBondContact O-N 3.26Å; I324-I326 VanDerWaalsContact C-N 3.31Å; I324-I326 PolarHBondContact O-N 3.49Å; I324-R327 PolarHBondContact O-N 3.13Å; I324-R327 VanDerWaalsContact O-N 3.13Å; I324-C328 PolarHBondContact O-N 3.18Å; I324-C328 PolarHBondContact O-SG 3.13Å; I324-L343 HydrophobicContact CD1-CB 3.97Å; I324-L343 HydrophobicContact CG2-CB 4.46Å; I324-L343 HydrophobicContact CG2-CD1 4.32Å; I324-I359 HydrophobicContact CG2-CD1 4.01Å |
| 325 | K | 89.9 | Confident | 88.1 | Confident | 93 Ų | 93 | 65 Ų | 65 | 40% | 0.404 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 179.8 | -168.5 | 168.9 | -172.6 | 163 | 0 | 112.8 | F321 H322 I323 K329 | F321-K325 PolarHBondContact O-N 3.35Å; H322-K325 PolarHBondContact O-N 3.3Å; I323-K325 VanDerWaalsContact C-N 3.33Å; I323-K325 PolarHBondContact O-N 3.36Å; K325-K329 WeakPolarHBondContact O-CG 3.45Å; K325-K329 PolarHBondContact O-N 3.43Å |
| 326 | I | 91.9 | Very high | 87.5 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 174.9 | -68.1 | 172.7 | 0 | 0 | 0 | 110.7 | V2 H322 I323 I324 C328 K329 E330 | V2-I326 HydrophobicContact CG2-CD1 3.26Å; H322-I326 WeakPolarHBondContact O-CG1 3.43Å; H322-I326 PolarHBondContact O-N 3Å; I323-I326 PolarHBondContact O-N 2.92Å; I324-I326 VanDerWaalsContact C-N 3.31Å; I324-I326 PolarHBondContact O-N 3.49Å; I326-C328 VanDerWaalsContact C-N 3.28Å; I326-C328 PolarHBondContact O-N 3.12Å; I326-K329 WeakPolarHBondContact O-CB 3.34Å; I326-K329 PolarHBondContact O-N 3.03Å; I326-E330 PolarHBondContact O-N 3.32Å |
| 327 | R | 89.6 | Confident | 87.1 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 176.5 | -71.1 | -59 | -169.1 | 172.3 | 6.2 | 112.9 | I323 I324 K329 E330 E331 M356 I359 | I323-R327 WeakPolarHBondContact O-CG 3.32Å; I323-R327 PolarHBondContact O-N 3.33Å; I324-R327 PolarHBondContact O-N 3.13Å; I324-R327 VanDerWaalsContact O-N 3.13Å; R327-K329 VanDerWaalsContact C-N 3.29Å; R327-K329 PolarHBondContact O-N 3.32Å; R327-E330 VanDerWaalsContact CD-OE2 3.31Å; R327-E330 WeakPolarHBondContact CD-OE2 3.25Å; R327-E330 IonicContact CZ-OE2 3.58Å; R327-E330 IonicContact NE-OE2 3.77Å; R327-E330 IonicContact NH1-OE2 2.79Å; R327-E330 PolarHBondContact NH1-OE2 3.26Å; R327-E330 PolarHBondContact O-N 3.28Å; R327-E331 PolarHBondContact O-N 3.45Å; R327-M356 HydrophobicContact CG-CE 4.13Å; R327-M356 HydrophobicContact CG-CG 4.28Å; R327-M356 HydrophobicContact CG-SD 4.36Å; R327-M356 VanDerWaalsContact CZ-CE 3.45Å; R327-I359 HydrophobicContact CB-CD1 4.24Å |
| 328 | C | 87.7 | Confident | 86.5 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -37.4 | 174.8 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | I324 I326 D332 V333 I335 | I324-C328 PolarHBondContact O-N 3.18Å; I324-C328 PolarHBondContact O-SG 3.13Å; I326-C328 VanDerWaalsContact C-N 3.28Å; I326-C328 PolarHBondContact O-N 3.12Å; C328-D332 PolarHBondContact O-N 3.27Å; C328-V333 PolarHBondContact O-N 3.47Å; C328-I335 HydrophobicContact CB-CD1 4.28Å; C328-I335 HydrophobicContact CB-CG1 4.2Å; C328-I335 WeakPolarHBondContact SG-CD1 3.46Å |
| 329 | K | 89.7 | Confident | 85.9 | Confident | 152 Ų | 152 | 64.8 Ų | 64.8 | 66% | 0.661 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.5 | -40.2 | 174.5 | -70.1 | 179.3 | 177.3 | -170.7 | 0 | 112.1 | K325 I326 R327 E331 D332 | K325-K329 WeakPolarHBondContact O-CG 3.45Å; K325-K329 PolarHBondContact O-N 3.43Å; I326-K329 WeakPolarHBondContact O-CB 3.34Å; I326-K329 PolarHBondContact O-N 3.03Å; R327-K329 VanDerWaalsContact C-N 3.29Å; R327-K329 PolarHBondContact O-N 3.32Å; K329-E331 VanDerWaalsContact C-N 3.32Å; K329-E331 PolarHBondContact O-N 2.98Å; K329-D332 PolarHBondContact O-N 3.13Å |
| 330 | E | 89.3 | Confident | 85.5 | Confident | 121 Ų | 121 | 63.2 Ų | 63.2 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.8 | -34.5 | 176.3 | -78.1 | 179 | 169.1 | 0 | 0 | 112.7 | I326 R327 | I326-E330 PolarHBondContact O-N 3.32Å; R327-E330 VanDerWaalsContact CD-OE2 3.31Å; R327-E330 WeakPolarHBondContact CD-OE2 3.25Å; R327-E330 IonicContact CZ-OE2 3.58Å; R327-E330 IonicContact NE-OE2 3.77Å; R327-E330 IonicContact NH1-OE2 2.79Å; R327-E330 PolarHBondContact NH1-OE2 3.26Å; R327-E330 PolarHBondContact O-N 3.28Å |
| 331 | E | 86.2 | Confident | 85.3 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 4.8 | 178.8 | -67.5 | -175.9 | -162.7 | 0 | 0 | 113.9 | R327 K329 V333 C360 | R327-E331 PolarHBondContact O-N 3.45Å; K329-E331 VanDerWaalsContact C-N 3.32Å; K329-E331 PolarHBondContact O-N 2.98Å; E331-V333 HydrophobicContact CB-CG2 3.75Å; E331-V333 WeakPolarHBondContact O-CG2 3.43Å; E331-V333 PolarHBondContact O-N 3.02Å; E331-C360 VanDerWaalsContact CD-SG 3.53Å; E331-C360 PolarHBondContact OE1-SG 3.41Å; E331-C360 PolarHBondContact OE2-SG 3.25Å |
| 332 | D | 85.5 | Confident | 84.9 | Confident | 151 Ų | 151 | 68.4 Ų | 68.4 | 81% | 0.807 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 37.1 | -174 | -67.6 | -45 | 0 | 0 | 0 | 114 | C328 K329 | C328-D332 PolarHBondContact O-N 3.27Å; K329-D332 PolarHBondContact O-N 3.13Å |
| 333 | V | 81.6 | Confident | 84.6 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | trans | -98.3 | 117.4 | 178.9 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | C328 E331 I335 I359 N363 I376 | C328-V333 PolarHBondContact O-N 3.47Å; E331-V333 HydrophobicContact CB-CG2 3.75Å; E331-V333 WeakPolarHBondContact O-CG2 3.43Å; E331-V333 PolarHBondContact O-N 3.02Å; V333-I335 HydrophobicContact CB-CG1 4.44Å; V333-I335 HydrophobicContact CG1-CD1 4.23Å; V333-I335 HydrophobicContact CG1-CG1 3.8Å; V333-I335 PolarHBondContact O-N 2.92Å; V333-I359 HydrophobicContact CB-CG2 4.34Å; V333-I359 HydrophobicContact CG1-CG2 4.47Å; V333-I359 HydrophobicContact CG2-CG2 4.15Å; V333-N363 HydrophobicContact CG1-CB 4.4Å; V333-N363 HydrophobicContact CG2-CB 3.81Å; V333-N363 WeakPolarHBondContact CG2-ND2 3.13Å; V333-I376 HydrophobicContact CG1-CD1 4.19Å | ||
| 334 | S | 78.3 | Confident | 84.4 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 52% | 0.517 | 33% | 0.331 | S | S | . | . | trans | -79.1 | 110.7 | 170 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 335 | I | 74.9 | Confident | 84.2 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 17% | 0.169 | 36% | 0.357 | C | S | . | . | trans | -112.1 | 137 | 177.1 | -51.4 | -157.6 | 0 | 0 | 0 | 109.3 | C328 V333 A339 A340 L343 I359 I376 | C328-I335 HydrophobicContact CB-CD1 4.28Å; C328-I335 HydrophobicContact CB-CG1 4.2Å; C328-I335 WeakPolarHBondContact SG-CD1 3.46Å; V333-I335 HydrophobicContact CB-CG1 4.44Å; V333-I335 HydrophobicContact CG1-CD1 4.23Å; V333-I335 HydrophobicContact CG1-CG1 3.8Å; V333-I335 PolarHBondContact O-N 2.92Å; I335-A339 HydrophobicContact CG2-CB 3.63Å; I335-A340 HydrophobicContact CG2-CB 4.36Å; I335-L343 HydrophobicContact CD1-CD1 3.94Å; I335-I359 HydrophobicContact CD1-CG1 4.4Å; I335-I359 HydrophobicContact CD1-CG2 4.25Å; I335-I376 HydrophobicContact CB-CD1 4.03Å; I335-I376 HydrophobicContact CD1-CD1 3.73Å; I335-I376 HydrophobicContact CG1-CD1 3.48Å; I335-I376 VanDerWaalsContact CG1-CD1 3.48Å; I335-I376 HydrophobicContact CG2-CD1 3.97Å | ||
| 336 | A | 78.1 | Confident | 83.9 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 45% | 0.446 | 35% | 0.346 | S | S | . | . | trans | -72.1 | 143.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q338 A339 A340 | A336-Q338 PolarHBondContact O-N 3.38Å; A336-Q338 VanDerWaalsContact O-N 3.07Å; A336-A339 WeakPolarHBondContact O-CA 3.36Å; A336-A339 WeakPolarHBondContact O-CB 3.14Å; A336-A339 PolarHBondContact O-N 3.42Å; A336-A340 PolarHBondContact O-N 3.21Å; A336-A340 VanDerWaalsContact O-N 3.09Å | ||
| 337 | D | 81 | Confident | 83.6 | Confident | 100 Ų | 100 | 63.3 Ų | 63.3 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.9 | -36.2 | -175.2 | -67.2 | -40.2 | 0 | 0 | 0 | 113.1 | A339 A340 H341 | D337-A339 VanDerWaalsContact C-N 3.34Å; D337-A339 PolarHBondContact O-N 2.98Å; D337-A340 WeakPolarHBondContact O-CB 3.45Å; D337-A340 PolarHBondContact O-N 3.02Å; D337-A340 VanDerWaalsContact O-N 3.16Å; D337-H341 PolarHBondContact O-CD2 2.82Å; D337-H341 PolarHBondContact O-N 2.88Å |
| 338 | Q | 78.6 | Confident | 83.4 | Confident | 126 Ų | 126 | 63.4 Ų | 63.4 | 59% | 0.589 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.4 | -38.4 | 175.2 | -65.1 | 178.9 | 0.6 | 0 | 0 | 113.3 | A336 A340 H341 A342 | A336-Q338 PolarHBondContact O-N 3.38Å; A336-Q338 VanDerWaalsContact O-N 3.07Å; Q338-A340 VanDerWaalsContact C-N 3.35Å; Q338-H341 PolarHBondContact O-N 2.98Å; Q338-A342 PolarHBondContact O-N 3.2Å; Q338-A342 VanDerWaalsContact O-N 3.1Å |
| 339 | A | 77.6 | Confident | 83.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 7% | 0.066 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72 | -33 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I335 A336 D337 A342 L343 I376 | I335-A339 HydrophobicContact CG2-CB 3.63Å; A336-A339 WeakPolarHBondContact O-CA 3.36Å; A336-A339 WeakPolarHBondContact O-CB 3.14Å; A336-A339 PolarHBondContact O-N 3.42Å; D337-A339 VanDerWaalsContact C-N 3.34Å; D337-A339 PolarHBondContact O-N 2.98Å; A339-A342 PolarHBondContact O-N 3Å; A339-L343 WeakPolarHBondContact O-CG 3.32Å; A339-L343 PolarHBondContact O-N 3.08Å; A339-I376 HydrophobicContact CB-CB 4.21Å; A339-I376 HydrophobicContact CB-CG2 4.3Å |
| 340 | A | 82.5 | Confident | 82.9 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F321 I335 A336 D337 Q338 L343 T344 | F321-A340 HydrophobicContact CD2-CB 4.19Å; F321-A340 HydrophobicContact CE2-CB 3.57Å; F321-A340 HydrophobicContact CZ-CB 4.26Å; I335-A340 HydrophobicContact CG2-CB 4.36Å; A336-A340 PolarHBondContact O-N 3.21Å; A336-A340 VanDerWaalsContact O-N 3.09Å; D337-A340 WeakPolarHBondContact O-CB 3.45Å; D337-A340 PolarHBondContact O-N 3.02Å; D337-A340 VanDerWaalsContact O-N 3.16Å; Q338-A340 VanDerWaalsContact C-N 3.35Å; A340-L343 PolarHBondContact O-N 3.5Å; A340-T344 WeakPolarHBondContact O-CB 3.45Å; A340-T344 PolarHBondContact O-N 3.2Å; A340-T344 PolarHBondContact O-OG1 3.14Å |
| 341 | H | 85.8 | Confident | 82.8 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 172.9 | -72.5 | -63.2 | 0 | 0 | 0 | 112.6 | F321 D337 Q338 T344 Q345 | F321-H341 AromaticContact CD2-CE1 3.94Å; F321-H341 AromaticContact CD2-ND1 3.77Å; F321-H341 AromaticContact CE2-CE1 3.55Å; F321-H341 AromaticContact CE2-CG 3.98Å; F321-H341 AromaticContact CE2-ND1 3.66Å; F321-H341 AromaticContact CE2-NE2 3.81Å; D337-H341 PolarHBondContact O-CD2 2.82Å; D337-H341 PolarHBondContact O-N 2.88Å; Q338-H341 PolarHBondContact O-N 2.98Å; H341-T344 WeakPolarHBondContact O-CB 3.42Å; H341-T344 PolarHBondContact O-N 3.32Å; H341-T344 VanDerWaalsContact O-N 3.16Å; H341-Q345 PolarHBondContact O-N 3.48Å |
| 342 | A | 82.4 | Confident | 82.8 | Confident | 46 Ų | 46 | 58.6 Ų | 58.6 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q338 A339 T344 Q345 L346 | Q338-A342 PolarHBondContact O-N 3.2Å; Q338-A342 VanDerWaalsContact O-N 3.1Å; A339-A342 PolarHBondContact O-N 3Å; A342-T344 VanDerWaalsContact C-N 3.26Å; A342-T344 PolarHBondContact O-N 3.03Å; A342-Q345 PolarHBondContact O-N 3.44Å; A342-L346 WeakPolarHBondContact O-CG 3.47Å; A342-L346 PolarHBondContact O-N 3.4Å |
| 343 | L | 84.8 | Confident | 82.9 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -33 | 174.2 | -73 | 170.8 | 0 | 0 | 0 | 112.3 | I324 I335 A339 A340 L346 G347 L358 I359 | I324-L343 HydrophobicContact CD1-CB 3.97Å; I324-L343 HydrophobicContact CG2-CB 4.46Å; I324-L343 HydrophobicContact CG2-CD1 4.32Å; I335-L343 HydrophobicContact CD1-CD1 3.94Å; A339-L343 WeakPolarHBondContact O-CG 3.32Å; A339-L343 PolarHBondContact O-N 3.08Å; A340-L343 PolarHBondContact O-N 3.5Å; L343-L346 PolarHBondContact O-N 3.32Å; L343-G347 PolarHBondContact O-N 3.39Å; L343-L358 HydrophobicContact CD2-CB 4.2Å; L343-L358 HydrophobicContact CD2-CD1 4.36Å; L343-I359 HydrophobicContact CD1-CG1 4.06Å |
| 344 | T | 87.1 | Confident | 83.1 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 176.4 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | S317 I320 F321 A340 H341 A342 G347 M348 | S317-T344 VanDerWaalsContact O-CG2 3.25Å; S317-T344 WeakPolarHBondContact O-CG2 3.31Å; I320-T344 HydrophobicContact CB-CG2 4.05Å; I320-T344 HydrophobicContact CG2-CG2 3.82Å; F321-T344 WeakPolarHBondContact CA-OG1 3.39Å; F321-T344 HydrophobicContact CB-CG2 4.05Å; F321-T344 WeakPolarHBondContact CD2-OG1 3.36Å; A340-T344 WeakPolarHBondContact O-CB 3.45Å; A340-T344 PolarHBondContact O-N 3.2Å; A340-T344 PolarHBondContact O-OG1 3.14Å; H341-T344 WeakPolarHBondContact O-CB 3.42Å; H341-T344 PolarHBondContact O-N 3.32Å; H341-T344 VanDerWaalsContact O-N 3.16Å; A342-T344 VanDerWaalsContact C-N 3.26Å; A342-T344 PolarHBondContact O-N 3.03Å; T344-G347 PolarHBondContact O-N 3.05Å; T344-M348 HydrophobicContact CG2-CE 4.32Å; T344-M348 PolarHBondContact O-N 3.08Å |
| 345 | Q | 86.3 | Confident | 83.5 | Confident | 117 Ų | 117 | 57 Ų | 57 | 55% | 0.547 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 173.1 | -70.8 | 178.7 | -21.8 | 0 | 0 | 111.3 | H341 A342 G347 M348 D349 | H341-Q345 PolarHBondContact O-N 3.48Å; A342-Q345 PolarHBondContact O-N 3.44Å; Q345-G347 VanDerWaalsContact C-N 3.27Å; Q345-G347 PolarHBondContact O-N 3.29Å; Q345-M348 PolarHBondContact O-N 3.28Å; Q345-M348 VanDerWaalsContact O-N 3.14Å; Q345-D349 PolarHBondContact O-N 3.49Å |
| 346 | L | 84.1 | Confident | 84 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 174.2 | -68.5 | 179.9 | 0 | 0 | 0 | 113 | A342 L343 M348 C350 L358 Y381 | A342-L346 WeakPolarHBondContact O-CG 3.47Å; A342-L346 PolarHBondContact O-N 3.4Å; L343-L346 PolarHBondContact O-N 3.32Å; L346-M348 VanDerWaalsContact C-N 3.33Å; L346-C350 VanDerWaalsContact O-CB 3.32Å; L346-C350 WeakPolarHBondContact O-CB 3.44Å; L346-C350 PolarHBondContact O-N 2.95Å; L346-L358 HydrophobicContact CD1-CD1 4.02Å; L346-Y381 HydrophobicContact CD1-CD2 3.78Å; L346-Y381 HydrophobicContact CD1-CE2 3.92Å; L346-Y381 HydrophobicContact CD2-CD2 3.99Å; L346-Y381 HydrophobicContact CD2-CE2 3.31Å; L346-Y381 HydrophobicContact CG-CE2 4.22Å |
| 347 | G | 84.7 | Confident | 84.4 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -35.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L343 T344 Q345 S351 | L343-G347 PolarHBondContact O-N 3.39Å; T344-G347 PolarHBondContact O-N 3.05Å; Q345-G347 VanDerWaalsContact C-N 3.27Å; Q345-G347 PolarHBondContact O-N 3.29Å; G347-S351 CarbonylContact O-C 3.39Å; G347-S351 PolarHBondContact O-N 3.14Å |
| 348 | M | 86 | Confident | 84.6 | Confident | 96 Ų | 96 | 56.1 Ų | 56.1 | 47% | 0.473 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.6 | -45.8 | 174.3 | -73.4 | -167.8 | -83.7 | 0 | 0 | 112.3 | I320 T344 Q345 L346 | I320-M348 HydrophobicContact CD1-CG 3.61Å; T344-M348 HydrophobicContact CG2-CE 4.32Å; T344-M348 PolarHBondContact O-N 3.08Å; Q345-M348 PolarHBondContact O-N 3.28Å; Q345-M348 VanDerWaalsContact O-N 3.14Å; L346-M348 VanDerWaalsContact C-N 3.33Å |
| 349 | D | 84.7 | Confident | 84.9 | Confident | 130 Ų | 130 | 50.1 Ų | 50.1 | 70% | 0.695 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71.1 | -33.8 | -176.3 | -70.4 | -16.2 | 0 | 0 | 0 | 113 | Q345 | Q345-D349 PolarHBondContact O-N 3.49Å |
| 350 | C | 82.3 | Confident | 85.2 | Confident | 31 Ų | 31 | 52.3 Ų | 52.3 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -79.4 | -171.4 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | L346 Y354 I386 | L346-C350 VanDerWaalsContact O-CB 3.32Å; L346-C350 WeakPolarHBondContact O-CB 3.44Å; L346-C350 PolarHBondContact O-N 2.95Å; C350-Y354 HydrophobicContact CB-CD1 4.15Å; C350-I386 HydrophobicContact CB-CD1 4.34Å; C350-I386 HydrophobicContact CB-CG2 4.36Å; C350-I386 WeakPolarHBondContact SG-CD1 3.49Å |
| 351 | S | 85.7 | Confident | 85.2 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | trans | -171.6 | 149.5 | 173.8 | 63.2 | 0 | 0 | 0 | 0 | 110.2 | G347 R353 Y354 A355 | G347-S351 CarbonylContact O-C 3.39Å; G347-S351 PolarHBondContact O-N 3.14Å; S351-R353 PolarHBondContact O-N 3.41Å; S351-Y354 PolarHBondContact O-N 3.29Å; S351-Y354 VanDerWaalsContact OG-CB 3.23Å; S351-Y354 WeakPolarHBondContact OG-CB 3.39Å; S351-Y354 PolarHBondContact OG-N 3.33Å; S351-Y354 VanDerWaalsContact OG-N 3.13Å; S351-A355 PolarHBondContact O-N 3.04Å; S351-A355 VanDerWaalsContact O-N 3.08Å | ||
| 352 | L | 86.6 | Confident | 84.9 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -37.9 | 172.6 | -176.6 | 65.2 | 0 | 0 | 0 | 112.3 | Y315 I320 I323 Y354 A355 M356 | Y315-L352 HydrophobicContact CD2-CD2 4.3Å; Y315-L352 HydrophobicContact CE2-CD2 4.35Å; I320-L352 HydrophobicContact CG2-CD1 4.05Å; I323-L352 HydrophobicContact CB-CD1 4.5Å; I323-L352 HydrophobicContact CD1-CD2 4.1Å; I323-L352 HydrophobicContact CG2-CD1 4.01Å; I323-L352 HydrophobicContact CG2-CD2 4.19Å; L352-Y354 VanDerWaalsContact C-N 3.35Å; L352-Y354 PolarHBondContact O-N 2.93Å; L352-A355 PolarHBondContact O-N 2.85Å; L352-M356 HydrophobicContact CG-SD 4.43Å; L352-M356 WeakPolarHBondContact O-CG 3.39Å; L352-M356 PolarHBondContact O-N 3.18Å |
| 353 | R | 88.1 | Confident | 84.8 | Confident | 183 Ų | 183 | 48.6 Ų | 48.6 | 69% | 0.691 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61 | -43 | 177.5 | -177.6 | 177.3 | -73 | 160.9 | -5.3 | 111.8 | S351 M356 Q357 | S351-R353 PolarHBondContact O-N 3.41Å; R353-M356 PolarHBondContact O-N 3.05Å; R353-Q357 WeakPolarHBondContact O-CG 3.48Å; R353-Q357 PolarHBondContact O-N 3.41Å; R353-Q357 VanDerWaalsContact O-N 3.13Å |
| 354 | Y | 85.7 | Confident | 84.7 | Confident | 25 Ų | 25 | 52 Ų | 52 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 177.1 | -179 | -108.8 | 0 | 0 | 0 | 111.7 | C350 S351 L352 M356 Q357 L358 Y381 F384 I386 | C350-Y354 HydrophobicContact CB-CD1 4.15Å; S351-Y354 PolarHBondContact O-N 3.29Å; S351-Y354 VanDerWaalsContact OG-CB 3.23Å; S351-Y354 WeakPolarHBondContact OG-CB 3.39Å; S351-Y354 PolarHBondContact OG-N 3.33Å; S351-Y354 VanDerWaalsContact OG-N 3.13Å; L352-Y354 VanDerWaalsContact C-N 3.35Å; L352-Y354 PolarHBondContact O-N 2.93Å; Y354-M356 VanDerWaalsContact C-N 3.27Å; Y354-M356 PolarHBondContact O-N 3.01Å; Y354-Q357 PolarHBondContact O-N 2.92Å; Y354-L358 HydrophobicContact CD1-CD1 3.9Å; Y354-L358 HydrophobicContact CD1-CG 4.35Å; Y354-L358 HydrophobicContact CE1-CD1 3.42Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.42Å; Y354-L358 HydrophobicContact CE1-CD2 4.35Å; Y354-L358 HydrophobicContact CE1-CG 3.96Å; Y354-L358 HydrophobicContact CE2-CD2 4.39Å; Y354-L358 HydrophobicContact CE2-CG 4.4Å; Y354-L358 WeakPolarHBondContact O-CG 3.35Å; Y354-L358 PolarHBondContact O-N 3.32Å; Y354-Y381 HydrophobicContact CE1-CE2 4.19Å; Y354-F384 PolarHBondContact OH-O 3.27Å; Y354-I386 HydrophobicContact CD1-CD1 4.27Å; Y354-I386 HydrophobicContact CD1-CG1 3.93Å; Y354-I386 HydrophobicContact CD2-CG1 4.38Å; Y354-I386 HydrophobicContact CE1-CD1 3.61Å; Y354-I386 HydrophobicContact CE1-CG1 3.37Å; Y354-I386 HydrophobicContact CE2-CG1 3.9Å; Y354-I386 HydrophobicContact CG-CG1 4.4Å |
| 355 | A | 86 | Confident | 84.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.7 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S351 L352 L358 I359 | S351-A355 PolarHBondContact O-N 3.04Å; S351-A355 VanDerWaalsContact O-N 3.08Å; L352-A355 PolarHBondContact O-N 2.85Å; A355-L358 PolarHBondContact O-N 2.94Å; A355-I359 PolarHBondContact O-N 2.71Å |
| 356 | M | 85.6 | Confident | 83.6 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 175.1 | -70.8 | 175 | 52.6 | 0 | 0 | 112.8 | R327 L352 R353 Y354 L358 I359 | R327-M356 HydrophobicContact CG-CE 4.13Å; R327-M356 HydrophobicContact CG-CG 4.28Å; R327-M356 HydrophobicContact CG-SD 4.36Å; R327-M356 VanDerWaalsContact CZ-CE 3.45Å; L352-M356 HydrophobicContact CG-SD 4.43Å; L352-M356 WeakPolarHBondContact O-CG 3.39Å; L352-M356 PolarHBondContact O-N 3.18Å; R353-M356 PolarHBondContact O-N 3.05Å; Y354-M356 VanDerWaalsContact C-N 3.27Å; Y354-M356 PolarHBondContact O-N 3.01Å; M356-L358 PolarHBondContact O-N 3.37Å; M356-I359 WeakPolarHBondContact O-CB 3.44Å; M356-I359 PolarHBondContact O-N 3.16Å |
| 357 | Q | 86.5 | Confident | 83.3 | Confident | 114 Ų | 114 | 55 Ų | 55 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.8 | -35.1 | 177.7 | -71.7 | 173.8 | -17.1 | 0 | 0 | 112.4 | R353 Y354 I359 C360 V361 | R353-Q357 WeakPolarHBondContact O-CG 3.48Å; R353-Q357 PolarHBondContact O-N 3.41Å; R353-Q357 VanDerWaalsContact O-N 3.13Å; Y354-Q357 PolarHBondContact O-N 2.92Å; Q357-I359 VanDerWaalsContact C-N 3.26Å; Q357-I359 PolarHBondContact O-N 3.39Å; Q357-C360 PolarHBondContact O-N 3.39Å; Q357-V361 WeakPolarHBondContact O-CG2 3.36Å; Q357-V361 PolarHBondContact O-N 3.45Å; Q357-V361 VanDerWaalsContact O-N 3.14Å |
| 358 | L | 85.3 | Confident | 83.1 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -31 | 175.8 | -73.2 | 178.1 | 0 | 0 | 0 | 112.8 | L343 L346 Y354 A355 M356 V361 A362 A380 | L343-L358 HydrophobicContact CD2-CB 4.2Å; L343-L358 HydrophobicContact CD2-CD1 4.36Å; L346-L358 HydrophobicContact CD1-CD1 4.02Å; Y354-L358 HydrophobicContact CD1-CD1 3.9Å; Y354-L358 HydrophobicContact CD1-CG 4.35Å; Y354-L358 HydrophobicContact CE1-CD1 3.42Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.42Å; Y354-L358 HydrophobicContact CE1-CD2 4.35Å; Y354-L358 HydrophobicContact CE1-CG 3.96Å; Y354-L358 HydrophobicContact CE2-CD2 4.39Å; Y354-L358 HydrophobicContact CE2-CG 4.4Å; Y354-L358 WeakPolarHBondContact O-CG 3.35Å; Y354-L358 PolarHBondContact O-N 3.32Å; A355-L358 PolarHBondContact O-N 2.94Å; M356-L358 PolarHBondContact O-N 3.37Å; L358-V361 PolarHBondContact O-N 3.47Å; L358-A362 WeakPolarHBondContact O-CB 3.17Å; L358-A362 PolarHBondContact O-N 3.42Å; L358-A380 HydrophobicContact CD2-CB 3.68Å |
| 359 | I | 84.5 | Confident | 82.5 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 176.1 | -61.8 | 165.3 | 0 | 0 | 0 | 109.7 | I324 R327 V333 I335 L343 A355 M356 Q357 V361 A362 N363 | I324-I359 HydrophobicContact CG2-CD1 4.01Å; R327-I359 HydrophobicContact CB-CD1 4.24Å; V333-I359 HydrophobicContact CB-CG2 4.34Å; V333-I359 HydrophobicContact CG1-CG2 4.47Å; V333-I359 HydrophobicContact CG2-CG2 4.15Å; I335-I359 HydrophobicContact CD1-CG1 4.4Å; I335-I359 HydrophobicContact CD1-CG2 4.25Å; L343-I359 HydrophobicContact CD1-CG1 4.06Å; A355-I359 PolarHBondContact O-N 2.71Å; M356-I359 WeakPolarHBondContact O-CB 3.44Å; M356-I359 PolarHBondContact O-N 3.16Å; Q357-I359 VanDerWaalsContact C-N 3.26Å; Q357-I359 PolarHBondContact O-N 3.39Å; I359-V361 PolarHBondContact O-N 3.08Å; I359-A362 PolarHBondContact O-N 3.08Å; I359-N363 WeakPolarHBondContact O-CB 3.43Å; I359-N363 PolarHBondContact O-N 3.45Å |
| 360 | C | 83.7 | Confident | 81.7 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 178.5 | -47.6 | 0 | 0 | 0 | 0 | 111.5 | E331 Q357 A362 N363 V364 | E331-C360 VanDerWaalsContact CD-SG 3.53Å; E331-C360 PolarHBondContact OE1-SG 3.41Å; E331-C360 PolarHBondContact OE2-SG 3.25Å; Q357-C360 PolarHBondContact O-N 3.39Å; C360-A362 PolarHBondContact O-N 2.96Å; C360-N363 WeakPolarHBondContact O-CB 3.19Å; C360-N363 PolarHBondContact O-N 3.16Å; C360-V364 WeakPolarHBondContact O-CG2 3.49Å; C360-V364 PolarHBondContact O-N 3.09Å; C360-V364 VanDerWaalsContact O-N 3.08Å |
| 361 | V | 84 | Confident | 80.7 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 179.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | Q357 L358 I359 N363 V364 L365 A380 F384 | Q357-V361 WeakPolarHBondContact O-CG2 3.36Å; Q357-V361 PolarHBondContact O-N 3.45Å; Q357-V361 VanDerWaalsContact O-N 3.14Å; L358-V361 PolarHBondContact O-N 3.47Å; I359-V361 PolarHBondContact O-N 3.08Å; V361-N363 VanDerWaalsContact C-N 3.29Å; V361-N363 PolarHBondContact O-N 3.16Å; V361-V364 PolarHBondContact O-N 2.99Å; V361-L365 HydrophobicContact CG1-CD1 4.03Å; V361-L365 HydrophobicContact CG1-CG 4.48Å; V361-L365 WeakPolarHBondContact O-CG 3.29Å; V361-L365 PolarHBondContact O-N 3.27Å; V361-A380 HydrophobicContact CG1-CB 4.09Å; V361-F384 HydrophobicContact CG1-CD2 3.93Å; V361-F384 HydrophobicContact CG1-CE2 3.45Å; V361-F384 VanDerWaalsContact CG1-CE2 3.45Å; V361-F384 HydrophobicContact CG1-CZ 4.27Å; V361-F384 HydrophobicContact CG2-CE2 4.35Å |
| 362 | A | 78.8 | Confident | 79 | Confident | 12 Ų | 12 | 72 Ų | 72 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L358 I359 C360 L365 A366 I376 | L358-A362 WeakPolarHBondContact O-CB 3.17Å; L358-A362 PolarHBondContact O-N 3.42Å; I359-A362 PolarHBondContact O-N 3.08Å; C360-A362 PolarHBondContact O-N 2.96Å; A362-L365 PolarHBondContact O-N 2.89Å; A362-A366 WeakPolarHBondContact O-CB 3.39Å; A362-A366 PolarHBondContact O-N 3.49Å; A362-I376 HydrophobicContact CB-CG1 4.11Å; A362-I376 HydrophobicContact CB-CG2 4Å |
| 363 | N | 80.3 | Confident | 77.3 | Confident | 32 Ų | 32 | 81.2 Ų | 81.2 | 17% | 0.171 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 174.1 | -172.1 | 13 | 0 | 0 | 0 | 111.7 | V333 I359 C360 V361 L365 A366 K367 | V333-N363 HydrophobicContact CG1-CB 4.4Å; V333-N363 HydrophobicContact CG2-CB 3.81Å; V333-N363 WeakPolarHBondContact CG2-ND2 3.13Å; I359-N363 WeakPolarHBondContact O-CB 3.43Å; I359-N363 PolarHBondContact O-N 3.45Å; C360-N363 WeakPolarHBondContact O-CB 3.19Å; C360-N363 PolarHBondContact O-N 3.16Å; V361-N363 VanDerWaalsContact C-N 3.29Å; V361-N363 PolarHBondContact O-N 3.16Å; N363-L365 VanDerWaalsContact C-N 3.33Å; N363-L365 PolarHBondContact O-N 3.41Å; N363-A366 PolarHBondContact O-N 3.09Å; N363-K367 WeakPolarHBondContact O-CG 3.42Å; N363-K367 PolarHBondContact O-N 2.83Å; N363-K367 WeakPolarHBondContact OD1-CE 3.44Å |
| 364 | V | 83 | Confident | 75.2 | Confident | 83 Ų | 83 | 76.5 Ų | 76.5 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | C360 V361 K367 R368 | C360-V364 WeakPolarHBondContact O-CG2 3.49Å; C360-V364 PolarHBondContact O-N 3.09Å; C360-V364 VanDerWaalsContact O-N 3.08Å; V361-V364 PolarHBondContact O-N 2.99Å; V364-K367 PolarHBondContact O-N 3.1Å; V364-R368 PolarHBondContact O-N 3.27Å; V364-R368 VanDerWaalsContact O-N 3.09Å |
| 365 | L | 77 | Confident | 73.3 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 22% | 0.22 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 177.4 | -70.8 | 173.1 | 0 | 0 | 0 | 112.5 | V361 A362 N363 R368 R369 L379 A380 | V361-L365 HydrophobicContact CG1-CD1 4.03Å; V361-L365 HydrophobicContact CG1-CG 4.48Å; V361-L365 WeakPolarHBondContact O-CG 3.29Å; V361-L365 PolarHBondContact O-N 3.27Å; A362-L365 PolarHBondContact O-N 2.89Å; N363-L365 VanDerWaalsContact C-N 3.33Å; N363-L365 PolarHBondContact O-N 3.41Å; L365-R368 PolarHBondContact O-N 3.4Å; L365-R369 PolarHBondContact O-N 2.98Å; L365-L379 HydrophobicContact CD1-CB 4.33Å; L365-A380 HydrophobicContact CD1-CB 4.48Å |
| 366 | A | 72.7 | Confident | 71.7 | Confident | 30 Ų | 30 | 80.5 Ų | 80.5 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A362 N363 R368 R369 K370 V371 | A362-A366 WeakPolarHBondContact O-CB 3.39Å; A362-A366 PolarHBondContact O-N 3.49Å; N363-A366 PolarHBondContact O-N 3.09Å; A366-R368 PolarHBondContact O-N 2.85Å; A366-R369 PolarHBondContact O-N 3.07Å; A366-K370 PolarHBondContact O-N 3.06Å; A366-V371 PolarHBondContact O-N 2.96Å |
| 367 | K | 78.8 | Confident | 69.9 | Low | 149 Ų | 149 | 86.8 Ų | 86.8 | 65% | 0.648 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.8 | -44.9 | 175.3 | -74.1 | 180 | 179.5 | 178.8 | 0 | 111.9 | N363 V364 R369 K370 | N363-K367 WeakPolarHBondContact O-CG 3.42Å; N363-K367 PolarHBondContact O-N 2.83Å; N363-K367 WeakPolarHBondContact OD1-CE 3.44Å; V364-K367 PolarHBondContact O-N 3.1Å; K367-R369 VanDerWaalsContact C-N 3.29Å; K367-R369 PolarHBondContact O-N 2.94Å; K367-K370 PolarHBondContact O-N 3.37Å |
| 368 | R | 80.7 | Confident | 68.1 | Low | 210 Ų | 210 | 86.2 Ų | 86.2 | 79% | 0.792 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.4 | -34.3 | 178.1 | -79 | -168.5 | 178.4 | -148.6 | 1.2 | 113.5 | V364 L365 A366 K370 | V364-R368 PolarHBondContact O-N 3.27Å; V364-R368 VanDerWaalsContact O-N 3.09Å; L365-R368 PolarHBondContact O-N 3.4Å; A366-R368 PolarHBondContact O-N 2.85Å; R368-K370 VanDerWaalsContact C-N 3.35Å |
| 369 | R | 71.9 | Confident | 66.3 | Low | 146 Ų | 146 | 88.5 Ų | 88.5 | 55% | 0.551 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -1.4 | -177.6 | -66.6 | -176.7 | 175.7 | -151.4 | -3.7 | 114 | L365 A366 K367 V371 L379 | L365-R369 PolarHBondContact O-N 2.98Å; A366-R369 PolarHBondContact O-N 3.07Å; K367-R369 VanDerWaalsContact C-N 3.29Å; K367-R369 PolarHBondContact O-N 2.94Å; R369-V371 HydrophobicContact CB-CG2 3.78Å; R369-V371 PolarHBondContact O-N 3.14Å; R369-V371 VanDerWaalsContact O-N 3.09Å; R369-L379 VanDerWaalsContact CZ-CD1 3.43Å |
| 370 | K | 68.4 | Low | 64.6 | Low | 199 Ų | 199 | 89 Ų | 89 | 87% | 0.865 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 27.1 | -171.3 | -60 | -176.3 | 178.8 | -179.5 | 0 | 113.2 | A366 K367 R368 G372 | A366-K370 PolarHBondContact O-N 3.06Å; K367-K370 PolarHBondContact O-N 3.37Å; R368-K370 VanDerWaalsContact C-N 3.35Å; K370-G372 PolarHBondContact O-N 3.38Å |
| 371 | V | 60.9 | Low | 63 | Low | 62 Ų | 62 | 90.5 Ų | 90.5 | 38% | 0.376 | 45% | 0.447 | S | S | . | . | trans | -84.7 | 113 | 179 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | A366 R369 | A366-V371 PolarHBondContact O-N 2.96Å; R369-V371 HydrophobicContact CB-CG2 3.78Å; R369-V371 PolarHBondContact O-N 3.14Å; R369-V371 VanDerWaalsContact O-N 3.09Å | ||
| 372 | G | 50.6 | Low | 61.3 | Low | 56 Ų | 56 | 94.7 Ų | 94.7 | 58% | 0.577 | 47% | 0.468 | S | S | * | . | trans | -67.9 | 126.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K370 S374 | K370-G372 PolarHBondContact O-N 3.38Å; G372-S374 VanDerWaalsContact C-N 3.34Å; G372-S374 PolarHBondContact O-N 3.21Å; G372-S374 PolarHBondContact O-OG 3.35Å | ||
| 373 | R | 50.3 | Low | 59.8 | Low | 219 Ų | 219 | 99.3 Ų | 99.3 | 83% | 0.826 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 63.6 | -11.2 | 155.7 | -71.4 | -178.7 | 174.2 | 141.9 | -0.8 | 121.1 | ||
| 374 | S | 43.8 | Very low | 58.4 | Low | 83 Ų | 83 | 102.5 Ų | 102.5 | 58% | 0.58 | 50% | 0.503 | S | S | * | . | trans | -141.1 | 22.4 | -159.4 | 61.9 | 0 | 0 | 0 | 0 | 119.1 | G372 | G372-S374 VanDerWaalsContact C-N 3.34Å; G372-S374 PolarHBondContact O-N 3.21Å; G372-S374 PolarHBondContact O-OG 3.35Å | ||
| 375 | S | 47.5 | Very low | 56.6 | Low | 71 Ų | 71 | 105.9 Ų | 105.9 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | trans | -147.7 | 60.7 | -179.8 | -66.6 | 0 | 0 | 0 | 0 | 115.9 | R377 | S375-R377 PolarHBondContact O-N 3.48Š| ||
| 376 | I | 51.5 | Low | 54.9 | Low | 39 Ų | 39 | 105 Ų | 105 | 20% | 0.2 | 51% | 0.507 | C | S | . | . | trans | -78.1 | -2.4 | 159.7 | -66.9 | 158.2 | 0 | 0 | 0 | 111.2 | V333 I335 A339 A362 V378 | V333-I376 HydrophobicContact CG1-CD1 4.19Å; I335-I376 HydrophobicContact CB-CD1 4.03Å; I335-I376 HydrophobicContact CD1-CD1 3.73Å; I335-I376 HydrophobicContact CG1-CD1 3.48Å; I335-I376 VanDerWaalsContact CG1-CD1 3.48Å; I335-I376 HydrophobicContact CG2-CD1 3.97Å; A339-I376 HydrophobicContact CB-CB 4.21Å; A339-I376 HydrophobicContact CB-CG2 4.3Å; A362-I376 HydrophobicContact CB-CG1 4.11Å; A362-I376 HydrophobicContact CB-CG2 4Å; I376-V378 PolarHBondContact O-N 3.22Å | ||
| 377 | R | 48 | Very low | 53.2 | Low | 175 Ų | 175 | 114.5 Ų | 114.5 | 66% | 0.66 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -52.9 | -32.2 | -162.6 | -92.4 | -180 | 164.4 | -177.9 | -5.2 | 116.8 | S375 | S375-R377 PolarHBondContact O-N 3.48Š|
| 378 | V | 49.2 | Very low | 51.2 | Low | 103 Ų | 103 | 115.9 Ų | 115.9 | 62% | 0.624 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -154.2 | 2 | -171.6 | -156.5 | 0 | 0 | 0 | 0 | 117.3 | I376 | I376-V378 PolarHBondContact O-N 3.22Š|
| 379 | L | 46.9 | Very low | 49.1 | Very low | 57 Ų | 57 | 110.2 Ų | 110.2 | 30% | 0.298 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -90.3 | -35.2 | -162.8 | -83.8 | 146 | 0 | 0 | 0 | 117.1 | L365 R369 Y381 | L365-L379 HydrophobicContact CD1-CB 4.33Å; R369-L379 VanDerWaalsContact CZ-CD1 3.43Å; L379-Y381 PolarHBondContact O-N 3.4Å |
| 380 | A | 48.2 | Very low | 47.3 | Very low | 12 Ų | 12 | 107.2 Ų | 107.2 | 10% | 0.099 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -73.9 | -29.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.6 | L358 V361 L365 N382 L383 F384 | L358-A380 HydrophobicContact CD2-CB 3.68Å; V361-A380 HydrophobicContact CG1-CB 4.09Å; L365-A380 HydrophobicContact CD1-CB 4.48Å; A380-N382 VanDerWaalsContact C-N 3.32Å; A380-N382 PolarHBondContact O-N 3.33Å; A380-L383 PolarHBondContact O-N 3.23Å; A380-F384 PolarHBondContact O-N 3.46Å; A380-F384 VanDerWaalsContact O-N 3.14Å |
| 381 | Y | 49.8 | Very low | 45.6 | Very low | 84 Ų | 84 | 102.8 Ų | 102.8 | 33% | 0.329 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -29 | -175 | -151.9 | -101.2 | 0 | 0 | 0 | 113.8 | L346 Y354 L379 I386 | L346-Y381 HydrophobicContact CD1-CD2 3.78Å; L346-Y381 HydrophobicContact CD1-CE2 3.92Å; L346-Y381 HydrophobicContact CD2-CD2 3.99Å; L346-Y381 HydrophobicContact CD2-CE2 3.31Å; L346-Y381 HydrophobicContact CG-CE2 4.22Å; Y354-Y381 HydrophobicContact CE1-CE2 4.19Å; L379-Y381 PolarHBondContact O-N 3.4Å; Y381-I386 HydrophobicContact CE2-CD1 3.58Å; Y381-I386 WeakPolarHBondContact OH-CD1 3.33Å |
| 382 | N | 49.8 | Very low | 44.4 | Very low | 125 Ų | 125 | 109 Ų | 109 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78 | -22.8 | 177.5 | -75.1 | -18 | 0 | 0 | 0 | 112.9 | A380 | A380-N382 VanDerWaalsContact C-N 3.32Å; A380-N382 PolarHBondContact O-N 3.33Å |
| 383 | L | 47.1 | Very low | 43.7 | Very low | 109 Ų | 109 | 110.8 Ų | 110.8 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -93.1 | -29.7 | -177.2 | -91.7 | 136.5 | 0 | 0 | 0 | 113 | A380 | A380-L383 PolarHBondContact O-N 3.23Å |
| 384 | F | 51 | Low | 42.6 | Very low | 99 Ų | 99 | 109.1 Ų | 109.1 | 43% | 0.434 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -116.3 | 112.1 | -174.6 | -66.7 | -81.8 | 0 | 0 | 0 | 111.2 | Y354 V361 A380 | Y354-F384 PolarHBondContact OH-O 3.27Å; V361-F384 HydrophobicContact CG1-CD2 3.93Å; V361-F384 HydrophobicContact CG1-CE2 3.45Å; V361-F384 VanDerWaalsContact CG1-CE2 3.45Å; V361-F384 HydrophobicContact CG1-CZ 4.27Å; V361-F384 HydrophobicContact CG2-CE2 4.35Å; A380-F384 PolarHBondContact O-N 3.46Å; A380-F384 VanDerWaalsContact O-N 3.14Å |
| 385 | F | 44.3 | Very low | 41.8 | Very low | 153 Ų | 153 | 116.2 Ų | 116.2 | 67% | 0.671 | 55% | 0.545 | S | S | * | . | trans | -77.6 | 135.4 | 176.9 | -81.5 | -90.9 | 0 | 0 | 0 | 111.3 | L393 | F385-L393 HydrophobicContact CE1-CD2 4.42Š| ||
| 386 | I | 42.4 | Very low | 40.6 | Very low | 24 Ų | 24 | 122.9 Ų | 122.9 | 12% | 0.123 | 56% | 0.559 | C | S | . | * | trans | -81.2 | 136.1 | 172.9 | -65.8 | 145.7 | 0 | 0 | 0 | 110.6 | C350 Y354 Y381 F388 R389 | C350-I386 HydrophobicContact CB-CD1 4.34Å; C350-I386 HydrophobicContact CB-CG2 4.36Å; C350-I386 WeakPolarHBondContact SG-CD1 3.49Å; Y354-I386 HydrophobicContact CD1-CD1 4.27Å; Y354-I386 HydrophobicContact CD1-CG1 3.93Å; Y354-I386 HydrophobicContact CD2-CG1 4.38Å; Y354-I386 HydrophobicContact CE1-CD1 3.61Å; Y354-I386 HydrophobicContact CE1-CG1 3.37Å; Y354-I386 HydrophobicContact CE2-CG1 3.9Å; Y354-I386 HydrophobicContact CG-CG1 4.4Å; Y381-I386 HydrophobicContact CE2-CD1 3.58Å; Y381-I386 WeakPolarHBondContact OH-CD1 3.33Å; I386-F388 HydrophobicContact CG2-CB 3.97Å; I386-F388 PolarHBondContact O-N 3.46Å; I386-F388 VanDerWaalsContact O-N 3.16Å; I386-R389 PolarHBondContact O-N 3.48Å; I386-R389 VanDerWaalsContact O-N 3.08Å | ||
| 387 | R | 36.3 | Very low | 39.4 | Very low | 230 Ų | 230 | 127.5 Ų | 127.5 | 87% | 0.868 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -55.8 | -28.6 | 177 | -167 | 162 | 174.9 | 162.3 | -3.6 | 113.9 | R389 S390 | R387-R389 PolarHBondContact O-N 2.99Å; R387-S390 WeakPolarHBondContact O-CB 3.46Å; R387-S390 PolarHBondContact O-N 3.09Å |
| 388 | F | 36 | Very low | 38.3 | Very low | 177 Ų | 177 | 123.7 Ų | 123.7 | 78% | 0.776 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -72.5 | -19.5 | 177 | -100.5 | -85 | 0 | 0 | 0 | 115.3 | I386 S390 P391 | I386-F388 HydrophobicContact CG2-CB 3.97Å; I386-F388 PolarHBondContact O-N 3.46Å; I386-F388 VanDerWaalsContact O-N 3.16Å; F388-S390 PolarHBondContact O-N 3.38Å; F388-P391 WeakPolarHBondContact O-CD 3.48Å |
| 389 | R | 36.9 | Very low | 37.1 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 34% | 0.343 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -76.8 | -13.1 | 172.1 | -115.6 | 179.6 | 176.4 | 160.9 | 1.5 | 112.6 | I386 R387 L393 | I386-R389 PolarHBondContact O-N 3.48Å; I386-R389 VanDerWaalsContact O-N 3.08Å; R387-R389 PolarHBondContact O-N 2.99Å; R389-L393 HydrophobicContact CB-CD1 3.98Å; R389-L393 HydrophobicContact CG-CD1 3.79Å; R389-L393 WeakPolarHBondContact O-CB 3.36Å; R389-L393 WeakPolarHBondContact O-CD1 3.44Å; R389-L393 PolarHBondContact O-N 3.24Å |
| 390 | S | 34 | Very low | 36.1 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 58% | 0.58 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 8.9 | -168.6 | -60.7 | 0 | 0 | 0 | 0 | 118.5 | R387 F388 | R387-S390 WeakPolarHBondContact O-CB 3.46Å; R387-S390 PolarHBondContact O-N 3.09Å; F388-S390 PolarHBondContact O-N 3.38Å |
| 391 | P | 33.1 | Very low | 35 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -26.6 | 161.2 | -12.5 | 28.7 | 0 | 0 | 0 | 113.3 | F388 | F388-P391 WeakPolarHBondContact O-CD 3.48Š|
| 392 | K | 35.3 | Very low | 33.8 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 84% | 0.835 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -9 | -173.4 | -74.2 | -175.5 | 177.2 | 176.8 | 0 | 115 | K394 | K392-K394 PolarHBondContact O-N 3.35Š|
| 393 | L | 35.7 | Very low | 32.7 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 49% | 0.492 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | 21 | 178.1 | -114.4 | 97 | 0 | 0 | 0 | 115.1 | F385 R389 W395 | F385-L393 HydrophobicContact CE1-CD2 4.42Å; R389-L393 HydrophobicContact CB-CD1 3.98Å; R389-L393 HydrophobicContact CG-CD1 3.79Å; R389-L393 WeakPolarHBondContact O-CB 3.36Å; R389-L393 WeakPolarHBondContact O-CD1 3.44Å; R389-L393 PolarHBondContact O-N 3.24Å; L393-W395 VanDerWaalsContact C-N 3.33Å |
| 394 | K | 29 | Very low | 31.8 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -7.5 | 170.2 | -120.8 | 179.4 | -177.8 | -178.7 | 0 | 113.7 | K392 | K392-K394 PolarHBondContact O-N 3.35Š|
| 395 | W | 25.1 | Very low | 30.7 | Very low | 231 Ų | 231 | 147.4 Ų | 147.4 | 88% | 0.875 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -145.2 | -15.5 | -173.5 | -80.7 | 98.5 | 0 | 0 | 0 | 120.7 | L393 | L393-W395 VanDerWaalsContact C-N 3.33Š|
| 396 | R | 23.7 | Very low | 29.9 | Very low | 211 Ų | 211 | 143.4 Ų | 143.4 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | trans | -146.7 | 119.3 | -178.3 | -81.1 | -176.1 | 147 | 176.1 | -10.3 | 114.6 | C398 | R396-C398 PolarHBondContact O-N 3.04Š| ||
| 397 | T | 24.8 | Very low | 29.2 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | -26.7 | 98.4 | 145.9 | 26.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 398 | C | 24.9 | Very low | 28.8 | Very low | 94 Ų | 94 | 149.8 Ų | 149.8 | 64% | 0.635 | 73% | 0.734 | S | S | * | * | trans | -120.1 | 79.6 | 159.1 | -82.6 | 0 | 0 | 0 | 0 | 108.4 | R396 W400 | R396-C398 PolarHBondContact O-N 3.04Å; C398-W400 PolarHBondContact O-N 3.12Å; C398-W400 VanDerWaalsContact O-N 3.07Å | ||
| 399 | V | 25.4 | Very low | 28.5 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | trans | -56.9 | 102.4 | 158.1 | 173.8 | 0 | 0 | 0 | 0 | 107 | R401 | V399-R401 HydrophobicContact CG1-CB 4.24Å; V399-R401 HydrophobicContact CG1-CG 3.92Å; V399-R401 PolarHBondContact O-N 3.07Å; V399-R401 VanDerWaalsContact O-N 3.08Å | ||
| 400 | W | 25.7 | Very low | 28.1 | Very low | 200 Ų | 200 | 155 Ų | 155 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | trans | -76.4 | 84.8 | 156.9 | -94.8 | 74.5 | 0 | 0 | 0 | 106.8 | C398 M402 | C398-W400 PolarHBondContact O-N 3.12Å; C398-W400 VanDerWaalsContact O-N 3.07Å; W400-M402 VanDerWaalsContact C-N 3.3Å; W400-M402 PolarHBondContact O-N 3.08Å; W400-M402 VanDerWaalsContact O-N 3.12Å | ||
| 401 | R | 24 | Very low | 28.1 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -67.3 | 98.6 | 154.1 | -100.9 | -175.9 | -171.2 | -177.1 | 3.1 | 105.1 | V399 N403 | V399-R401 HydrophobicContact CG1-CB 4.24Å; V399-R401 HydrophobicContact CG1-CG 3.92Å; V399-R401 PolarHBondContact O-N 3.07Å; V399-R401 VanDerWaalsContact O-N 3.08Å; R401-N403 PolarHBondContact O-N 2.85Å | ||
| 402 | M | 26 | Very low | 28.3 | Very low | 136 Ų | 136 | 155.5 Ų | 155.5 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | -63.5 | 93.8 | 155.3 | -110.3 | 175.4 | 164.3 | 0 | 0 | 106 | W400 F404 | W400-M402 VanDerWaalsContact C-N 3.3Å; W400-M402 PolarHBondContact O-N 3.08Å; W400-M402 VanDerWaalsContact O-N 3.12Å; M402-F404 HydrophobicContact CB-CD2 4.18Å; M402-F404 HydrophobicContact CE-CE2 4.08Å; M402-F404 HydrophobicContact CG-CD2 4.26Å; M402-F404 HydrophobicContact CG-CE2 4.27Å; M402-F404 PolarHBondContact O-N 2.9Å; M402-F404 HydrophobicContact SD-CD2 4.39Å; M402-F404 HydrophobicContact SD-CE2 4.07Å | ||
| 403 | N | 25.3 | Very low | 28.2 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -66.1 | 81.4 | 167 | -86.4 | -16.4 | 0 | 0 | 0 | 107.9 | R401 S405 | R401-N403 PolarHBondContact O-N 2.85Å; N403-S405 PolarHBondContact O-N 3.27Å | ||
| 404 | F | 30.1 | Very low | 28.4 | Very low | 183 Ų | 183 | 158.1 Ų | 158.1 | 80% | 0.803 | 81% | 0.811 | S | S | * | * | trans | -87 | 63.7 | 159.5 | -92.5 | -84.7 | 0 | 0 | 0 | 108.5 | M402 | M402-F404 HydrophobicContact CB-CD2 4.18Å; M402-F404 HydrophobicContact CE-CE2 4.08Å; M402-F404 HydrophobicContact CG-CD2 4.26Å; M402-F404 HydrophobicContact CG-CE2 4.27Å; M402-F404 PolarHBondContact O-N 2.9Å; M402-F404 HydrophobicContact SD-CD2 4.39Å; M402-F404 HydrophobicContact SD-CE2 4.07Å | ||
| 405 | S | 26.9 | Very low | 28.4 | Very low | 120 Ų | 120 | 156.8 Ų | 156.8 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -104.4 | 77 | 163.2 | -175.6 | 0 | 0 | 0 | 0 | 106.6 | N403 | N403-S405 PolarHBondContact O-N 3.27Š| ||
| 406 | G | 27.8 | Very low | 28.6 | Very low | 69 Ų | 69 | 152.8 Ų | 152.8 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -156.3 | 4.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 407 | M | 27.3 | Very low | 28.9 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -135.3 | 76.5 | 170.2 | -78.7 | -175.2 | 163 | 0 | 0 | 108.1 | Q409 | M407-Q409 PolarHBondContact O-N 3.17Š| ||
| 408 | K | 26.9 | Very low | 29.1 | Very low | 202 Ų | 202 | 150.4 Ų | 150.4 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | -61.6 | 109.6 | 154.1 | -82.3 | -178 | 174.2 | -179.1 | 0 | 105.6 | E410 | K408-E410 PolarHBondContact O-N 3.12Å; K408-E410 VanDerWaalsContact O-N 3.12Å | ||
| 409 | Q | 31.2 | Very low | 29.4 | Very low | 190 Ų | 190 | 153.9 Ų | 153.9 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -62.5 | 108.4 | 153.5 | -84.7 | 179.3 | -24.5 | 0 | 0 | 105.6 | M407 A411 | M407-Q409 PolarHBondContact O-N 3.17Å; Q409-A411 PolarHBondContact O-N 3.06Å | ||
| 410 | E | 28 | Very low | 29.6 | Very low | 187 Ų | 187 | 156.4 Ų | 156.4 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -58.2 | 105.7 | 161.4 | -74.9 | 176.6 | 156 | 0 | 0 | 107.2 | K408 | K408-E410 PolarHBondContact O-N 3.12Å; K408-E410 VanDerWaalsContact O-N 3.12Å | ||
| 411 | A | 34 | Very low | 29.9 | Very low | 87 Ų | 87 | 153.3 Ų | 153.3 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | trans | -78 | 131.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q409 | Q409-A411 PolarHBondContact O-N 3.06Š| ||
| 412 | P | 36.3 | Very low | 30.4 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 74% | 0.74 | 84% | 0.836 | S | S | * | * | trans | -66.7 | 147.2 | 176.1 | 29.3 | -32.5 | 0 | 0 | 0 | 109.5 | T414 | P412-T414 PolarHBondContact O-N 3.24Š| ||
| 413 | P | 34.8 | Very low | 30.7 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 79% | 0.786 | 85% | 0.85 | S | S | * | * | trans | -79.3 | 107.6 | 179.7 | 31.8 | -29.4 | 0 | 0 | 0 | 109.1 | ||||
| 414 | T | 40.2 | Very low | 31.2 | Very low | 219 Ų | 219 | 152.5 Ų | 152.5 | 100% | 1.344 | 86% | 0.863 | S | S | * | * | trans | -176.6 | 0 | 137.5 | 24.2 | 0 | 0 | 0 | 0 | 109.8 | P412 | P412-T414 PolarHBondContact O-N 3.24Š|
Retrieved 414 of 414 residues in 172.2 ms
(Link to these results)