| 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 | 59.6 | Low | 85.9 | Confident | 127 Ų | 127 | 86.4 Ų | 86.4 | 63% | 0.626 | 44% | 0.443 | S | S | * | . | 0 | 158.1 | 0 | -81.9 | -65.6 | -140.9 | 0 | 0 | 108.2 | T30 | M1-T30 HydrophobicContact SD-CG2 3.9Š| |||
| 2 | S | 71.1 | Confident | 86.6 | Confident | 17 Ų | 17 | 83.1 Ų | 83.1 | 12% | 0.119 | 43% | 0.432 | C | S | . | . | trans | -84.1 | 158.5 | 164.5 | 80.5 | 0 | 0 | 0 | 0 | 109.4 | Q4 M29 | S2-Q4 PolarHBondContact O-N 3.4Å; S2-Q4 PolarHBondContact OG-N 3.16Å; S2-M29 WeakPolarHBondContact CB-O 3.24Å; S2-M29 PolarHBondContact N-O 2.96Å; S2-M29 PolarHBondContact OG-O 3.41Å | ||
| 3 | D | 76.3 | Confident | 87.3 | Confident | 150 Ų | 150 | 77.1 Ų | 77.1 | 80% | 0.802 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -76.9 | -2.1 | 172.9 | -68.1 | -40.8 | 0 | 0 | 0 | 113.3 | ||
| 4 | Q | 86.7 | Confident | 88 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 47% | 0.467 | 38% | 0.378 | S | S | . | . | trans | -84.1 | 126.1 | -177 | -57.9 | -174.4 | 18.6 | 0 | 0 | 111.3 | S2 M29 | S2-Q4 PolarHBondContact O-N 3.4Å; S2-Q4 PolarHBondContact OG-N 3.16Å; Q4-M29 HydrophobicContact CB-CE 3.61Å; Q4-M29 PolarHBondContact O-N 3Å | ||
| 5 | S | 92.1 | Very high | 88.5 | Confident | 38 Ų | 38 | 79 Ų | 79 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -78.1 | 148.7 | 171.8 | 178.8 | 0 | 0 | 0 | 0 | 111 | D7 S8 T27 M29 | S5-D7 PolarHBondContact O-N 3.41Å; S5-D7 PolarHBondContact OG-N 3.21Å; S5-D7 VanDerWaalsContact OG-N 3.12Å; S5-S8 WeakPolarHBondContact O-CB 3.27Å; S5-S8 PolarHBondContact O-N 3.45Å; S5-S8 VanDerWaalsContact O-N 3.13Å; S5-S8 PolarHBondContact O-OG 3.41Å; S5-T27 WeakPolarHBondContact CA-O 3.47Å; S5-T27 PolarHBondContact OG-O 3.16Å; S5-M29 WeakPolarHBondContact O-CE 3.43Å |
| 6 | F | 93.4 | Very high | 89 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 2% | 0.022 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -59.9 | -24.6 | 167.9 | -80.2 | -79.6 | 0 | 0 | 0 | 112.6 | S8 L9 V21 F26 T27 K28 M29 I37 L58 I62 | F6-S8 PolarHBondContact O-N 2.86Å; F6-L9 HydrophobicContact CD1-CD1 4.07Å; F6-L9 WeakPolarHBondContact O-CB 3.45Å; F6-L9 PolarHBondContact O-N 3.31Å; F6-L9 VanDerWaalsContact O-N 3.08Å; F6-V21 HydrophobicContact CB-CG1 4.21Å; F6-V21 HydrophobicContact CD1-CG1 3.87Å; F6-V21 HydrophobicContact CD2-CG1 3.94Å; F6-V21 HydrophobicContact CE1-CG1 4.16Å; F6-V21 HydrophobicContact CE2-CG1 4.24Å; F6-V21 HydrophobicContact CG-CG1 3.74Å; F6-V21 HydrophobicContact CZ-CG1 4.33Å; F6-F26 HydrophobicContact CD2-CB 4.15Å; F6-F26 HydrophobicContact CE2-CB 3.8Å; F6-T27 PolarHBondContact N-O 2.86Å; F6-K28 WeakPolarHBondContact CE2-O 3.25Å; F6-M29 HydrophobicContact CD1-CG 3.72Å; F6-M29 HydrophobicContact CD1-SD 4.26Å; F6-M29 HydrophobicContact CD2-CG 3.89Å; F6-M29 HydrophobicContact CE1-CG 3.6Å; F6-M29 HydrophobicContact CE1-SD 4.26Å; F6-M29 HydrophobicContact CE2-CB 4.45Å; F6-M29 HydrophobicContact CE2-CG 3.76Å; F6-M29 HydrophobicContact CG-CG 3.88Å; F6-M29 HydrophobicContact CZ-CB 4.48Å; F6-M29 HydrophobicContact CZ-CG 3.63Å; F6-I37 HydrophobicContact CE1-CD1 4.18Å; F6-L58 HydrophobicContact CZ-CD1 4.43Å; F6-I62 HydrophobicContact CD1-CD1 4.12Å; F6-I62 HydrophobicContact CE1-CD1 3.55Å |
| 7 | D | 92.3 | Very high | 89.5 | Confident | 105 Ų | 105 | 71 Ų | 71 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -64 | -20.2 | 176.3 | -67.5 | -33.6 | 0 | 0 | 0 | 113 | S5 L9 R10 | S5-D7 PolarHBondContact O-N 3.41Å; S5-D7 PolarHBondContact OG-N 3.21Å; S5-D7 VanDerWaalsContact OG-N 3.12Å; D7-L9 PolarHBondContact O-N 3.48Å; D7-R10 WeakPolarHBondContact O-CB 3.39Å; D7-R10 PolarHBondContact O-N 3.3Å |
| 8 | S | 93.7 | Very high | 89.9 | Confident | 70 Ų | 70 | 68.3 Ų | 68.3 | 49% | 0.49 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -66.9 | -13.1 | 174.6 | 72.2 | 0 | 0 | 0 | 0 | 113 | S5 F6 | S5-S8 WeakPolarHBondContact O-CB 3.27Å; S5-S8 PolarHBondContact O-N 3.45Å; S5-S8 VanDerWaalsContact O-N 3.13Å; S5-S8 PolarHBondContact O-OG 3.41Å; F6-S8 PolarHBondContact O-N 2.86Å |
| 9 | L | 94.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 70.8 Ų | 70.8 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -90.3 | 1.2 | 179.8 | -57.5 | 175.2 | 0 | 0 | 0 | 113.5 | F6 D7 D11 C12 V13 L18 M29 I37 | F6-L9 HydrophobicContact CD1-CD1 4.07Å; F6-L9 WeakPolarHBondContact O-CB 3.45Å; F6-L9 PolarHBondContact O-N 3.31Å; F6-L9 VanDerWaalsContact O-N 3.08Å; D7-L9 PolarHBondContact O-N 3.48Å; L9-D11 PolarHBondContact O-N 2.88Å; L9-D11 VanDerWaalsContact O-N 3.09Å; L9-C12 PolarHBondContact O-N 3.26Å; L9-C12 PolarHBondContact O-SG 3.2Å; L9-V13 HydrophobicContact CB-CB 4.19Å; L9-V13 HydrophobicContact CB-CG2 3.89Å; L9-V13 HydrophobicContact CD1-CG2 4.41Å; L9-V13 WeakPolarHBondContact O-CB 3.35Å; L9-V13 PolarHBondContact O-N 3.11Å; L9-L18 HydrophobicContact CB-CD2 4.18Å; L9-M29 HydrophobicContact CD1-CE 4.43Å; L9-M29 HydrophobicContact CD1-SD 4.07Å; L9-M29 HydrophobicContact CD2-CE 4.49Å; L9-M29 HydrophobicContact CG-CE 4.33Å; L9-I37 HydrophobicContact CD1-CD1 4.2Å; L9-I37 HydrophobicContact CD1-CG2 3.89Å; L9-I37 HydrophobicContact CD2-CG2 3.98Å |
| 10 | R | 93.1 | Very high | 90.5 | Very high | 184 Ų | 184 | 67.3 Ų | 67.3 | 69% | 0.694 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29 | -174.9 | 71.5 | -177.2 | -171.2 | -178.7 | -0.5 | 115 | D7 L18 | D7-R10 WeakPolarHBondContact O-CB 3.39Å; D7-R10 PolarHBondContact O-N 3.3Å; R10-L18 HydrophobicContact CB-CD1 4.13Å |
| 11 | D | 92.1 | Very high | 90.7 | Very high | 141 Ų | 141 | 64.1 Ų | 64.1 | 75% | 0.754 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -10.7 | -177.3 | -58.7 | -45.4 | 0 | 0 | 0 | 112.3 | L9 | L9-D11 PolarHBondContact O-N 2.88Å; L9-D11 VanDerWaalsContact O-N 3.09Å |
| 12 | C | 93.9 | Very high | 92.3 | Very high | 47 Ų | 47 | 65.4 Ų | 65.4 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | -15.4 | -176.3 | 61.6 | 0 | 0 | 0 | 0 | 114.9 | L9 L41 K70 | L9-C12 PolarHBondContact O-N 3.26Å; L9-C12 PolarHBondContact O-SG 3.2Å; C12-L41 HydrophobicContact CB-CD1 4.23Å; C12-K70 PolarHBondContact O-NZ 2.88Å |
| 13 | V | 96.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -122.3 | 135.6 | 179.5 | 179 | 0 | 0 | 0 | 0 | 110.2 | L9 T17 L18 L41 I62 | L9-V13 HydrophobicContact CB-CB 4.19Å; L9-V13 HydrophobicContact CB-CG2 3.89Å; L9-V13 HydrophobicContact CD1-CG2 4.41Å; L9-V13 WeakPolarHBondContact O-CB 3.35Å; L9-V13 PolarHBondContact O-N 3.11Å; V13-T17 HydrophobicContact CG1-CG2 3.83Å; V13-L18 HydrophobicContact CB-CD1 4.4Å; V13-L18 HydrophobicContact CB-CD2 4.25Å; V13-L18 HydrophobicContact CB-CG 4.23Å; V13-L18 HydrophobicContact CG1-CD2 3.99Å; V13-L18 HydrophobicContact CG1-CG 3.94Å; V13-L41 HydrophobicContact CG2-CD1 3.67Å; V13-L41 HydrophobicContact CG2-CD2 4.09Å; V13-I62 HydrophobicContact CG1-CG2 4.1Å; V13-I62 HydrophobicContact CG2-CG2 4.09Å |
| 14 | S | 96.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 65 Ų | 65 | 8% | 0.077 | 33% | 0.326 | C | S | . | . | trans | -55.4 | 142.6 | 179.3 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | A16 T17 L18 E66 | S14-A16 PolarHBondContact O-N 3.32Å; S14-T17 PolarHBondContact O-N 3.25Å; S14-T17 PolarHBondContact OG-OG1 3.49Å; S14-L18 PolarHBondContact O-N 3.03Å; S14-L18 VanDerWaalsContact O-N 3.11Å; S14-E66 WeakPolarHBondContact CB-OE2 3.27Å; S14-E66 PolarHBondContact N-OE2 2.83Å; S14-E66 PolarHBondContact OG-OE2 2.83Å | ||
| 15 | E | 96.2 | Very high | 94.3 | Very high | 172 Ų | 172 | 63 Ų | 63 | 80% | 0.804 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.2 | -37.3 | 176.6 | -65.3 | -172.2 | 155.8 | 0 | 0 | 112.4 | T17 L18 K19 | E15-T17 VanDerWaalsContact C-N 3.33Å; E15-T17 PolarHBondContact O-N 3.18Å; E15-L18 PolarHBondContact O-N 3.36Å; E15-K19 WeakPolarHBondContact O-CB 3.47Å; E15-K19 PolarHBondContact O-N 2.68Å |
| 16 | A | 96.5 | Very high | 94.1 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S14 A20 | S14-A16 PolarHBondContact O-N 3.32Å; A16-A20 PolarHBondContact O-N 2.9Å |
| 17 | T | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.2 | -47.7 | 178.6 | -53.9 | 0 | 0 | 0 | 0 | 111 | V13 S14 E15 K19 A20 V21 I62 L101 H105 | V13-T17 HydrophobicContact CG1-CG2 3.83Å; S14-T17 PolarHBondContact O-N 3.25Å; S14-T17 PolarHBondContact OG-OG1 3.49Å; E15-T17 VanDerWaalsContact C-N 3.33Å; E15-T17 PolarHBondContact O-N 3.18Å; T17-K19 VanDerWaalsContact C-N 3.31Å; T17-K19 PolarHBondContact O-N 3.22Å; T17-A20 WeakPolarHBondContact O-CB 3.19Å; T17-A20 PolarHBondContact O-N 3.15Å; T17-A20 VanDerWaalsContact O-N 3.17Å; T17-V21 WeakPolarHBondContact O-CG2 3.4Å; T17-V21 PolarHBondContact O-N 3.48Å; T17-I62 HydrophobicContact CG2-CG1 4.39Å; T17-I62 HydrophobicContact CG2-CG2 4.23Å; T17-L101 HydrophobicContact CG2-CD1 3.91Å; T17-L101 HydrophobicContact CG2-CG 4.42Å; T17-H105 PolarHBondContact OG1-NE2 2.84Å |
| 18 | L | 96.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 69.7 Ų | 69.7 | 12% | 0.12 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -35.4 | -179.4 | -65.2 | 177 | 0 | 0 | 0 | 112.5 | L9 R10 V13 S14 E15 A20 V21 K22 | L9-L18 HydrophobicContact CB-CD2 4.18Å; R10-L18 HydrophobicContact CB-CD1 4.13Å; V13-L18 HydrophobicContact CB-CD1 4.4Å; V13-L18 HydrophobicContact CB-CD2 4.25Å; V13-L18 HydrophobicContact CB-CG 4.23Å; V13-L18 HydrophobicContact CG1-CD2 3.99Å; V13-L18 HydrophobicContact CG1-CG 3.94Å; S14-L18 PolarHBondContact O-N 3.03Å; S14-L18 VanDerWaalsContact O-N 3.11Å; E15-L18 PolarHBondContact O-N 3.36Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 3.21Å; L18-V21 PolarHBondContact O-N 3.07Å; L18-K22 WeakPolarHBondContact O-CB 3.46Å; L18-K22 PolarHBondContact O-N 3.49Å |
| 19 | K | 96.1 | Very high | 93.7 | Very high | 115 Ų | 115 | 66.4 Ų | 66.4 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 173.3 | -171 | -179.3 | -178.8 | -174.6 | 0 | 111.7 | E15 T17 K22 L23 Y104 | E15-K19 WeakPolarHBondContact O-CB 3.47Å; E15-K19 PolarHBondContact O-N 2.68Å; T17-K19 VanDerWaalsContact C-N 3.31Å; T17-K19 PolarHBondContact O-N 3.22Å; K19-K22 PolarHBondContact O-N 3.16Å; K19-L23 PolarHBondContact O-N 2.82Å; K19-Y104 HydrophobicContact CB-CD2 4.11Å; K19-Y104 HydrophobicContact CB-CE2 4.15Å; K19-Y104 HydrophobicContact CD-CD1 3.96Å; K19-Y104 HydrophobicContact CD-CD2 4.07Å; K19-Y104 HydrophobicContact CD-CE1 3.68Å; K19-Y104 HydrophobicContact CD-CE2 3.81Å; K19-Y104 HydrophobicContact CD-CG 4.15Å; K19-Y104 VanDerWaalsContact CE-CE1 3.46Å; K19-Y104 VanDerWaalsContact CE-CZ 3.42Å; K19-Y104 WeakPolarHBondContact CE-OH 3.36Å; K19-Y104 HydrophobicContact CG-CD2 4.05Å; K19-Y104 HydrophobicContact CG-CE1 4.42Å; K19-Y104 HydrophobicContact CG-CE2 3.64Å |
| 20 | A | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | A16 T17 L18 K22 L23 M24 L101 Y104 | A16-A20 PolarHBondContact O-N 2.9Å; T17-A20 WeakPolarHBondContact O-CB 3.19Å; T17-A20 PolarHBondContact O-N 3.15Å; T17-A20 VanDerWaalsContact O-N 3.17Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 3.21Å; A20-K22 VanDerWaalsContact C-N 3.29Å; A20-K22 PolarHBondContact O-N 2.95Å; A20-L23 WeakPolarHBondContact O-CB 3.48Å; A20-L23 PolarHBondContact O-N 3.21Å; A20-L23 VanDerWaalsContact O-N 3.08Å; A20-M24 VanDerWaalsContact O-CG 3.27Å; A20-M24 WeakPolarHBondContact O-CG 3.27Å; A20-M24 PolarHBondContact O-N 3.16Å; A20-L101 HydrophobicContact CB-CD1 4.36Å; A20-L101 VanDerWaalsContact CB-O 3.29Å; A20-L101 WeakPolarHBondContact CB-O 3.21Å; A20-Y104 HydrophobicContact CB-CD2 4.06Å; A20-Y104 HydrophobicContact CB-CE2 4.49Å |
| 21 | V | 95.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | F6 T17 L18 M24 G25 F26 I62 L101 | F6-V21 HydrophobicContact CB-CG1 4.21Å; F6-V21 HydrophobicContact CD1-CG1 3.87Å; F6-V21 HydrophobicContact CD2-CG1 3.94Å; F6-V21 HydrophobicContact CE1-CG1 4.16Å; F6-V21 HydrophobicContact CE2-CG1 4.24Å; F6-V21 HydrophobicContact CG-CG1 3.74Å; F6-V21 HydrophobicContact CZ-CG1 4.33Å; T17-V21 WeakPolarHBondContact O-CG2 3.4Å; T17-V21 PolarHBondContact O-N 3.48Å; L18-V21 PolarHBondContact O-N 3.07Å; V21-M24 WeakPolarHBondContact O-CB 3.33Å; V21-M24 PolarHBondContact O-N 3.47Å; V21-G25 PolarHBondContact O-N 3.15Å; V21-F26 HydrophobicContact CG1-CB 3.92Å; V21-F26 PolarHBondContact O-N 3.28Å; V21-I62 HydrophobicContact CG2-CD1 3.95Å; V21-I62 HydrophobicContact CG2-CG1 4.31Å; V21-L101 HydrophobicContact CG2-CD1 3.62Å |
| 22 | K | 93.2 | Very high | 93 | Very high | 154 Ų | 154 | 55.8 Ų | 55.8 | 67% | 0.67 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 176.4 | -173.7 | 173.4 | -177.4 | 171 | 0 | 112.4 | L18 K19 A20 M24 G25 | L18-K22 WeakPolarHBondContact O-CB 3.46Å; L18-K22 PolarHBondContact O-N 3.49Å; K19-K22 PolarHBondContact O-N 3.16Å; A20-K22 VanDerWaalsContact C-N 3.29Å; A20-K22 PolarHBondContact O-N 2.95Å; K22-M24 VanDerWaalsContact C-N 3.29Å; K22-M24 PolarHBondContact O-N 2.85Å; K22-G25 PolarHBondContact O-N 2.8Å |
| 23 | L | 93.2 | Very high | 92.9 | Very high | 122 Ų | 122 | 53.9 Ų | 53.9 | 64% | 0.639 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.8 | -34.3 | 176.8 | -171.6 | 72.8 | 0 | 0 | 0 | 112 | K19 A20 G25 Y104 | K19-L23 PolarHBondContact O-N 2.82Å; A20-L23 WeakPolarHBondContact O-CB 3.48Å; A20-L23 PolarHBondContact O-N 3.21Å; A20-L23 VanDerWaalsContact O-N 3.08Å; L23-G25 PolarHBondContact O-N 3.44Å; L23-Y104 HydrophobicContact CD2-CE2 4.5Å |
| 24 | M | 91.3 | Very high | 92.7 | Very high | 37 Ų | 37 | 54.5 Ų | 54.5 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -4.9 | 173.2 | -62.6 | 166.4 | 80 | 0 | 0 | 112.9 | A20 V21 K22 F26 L58 V97 E100 L101 | A20-M24 VanDerWaalsContact O-CG 3.27Å; A20-M24 WeakPolarHBondContact O-CG 3.27Å; A20-M24 PolarHBondContact O-N 3.16Å; V21-M24 WeakPolarHBondContact O-CB 3.33Å; V21-M24 PolarHBondContact O-N 3.47Å; K22-M24 VanDerWaalsContact C-N 3.29Å; K22-M24 PolarHBondContact O-N 2.85Å; M24-F26 HydrophobicContact CB-CD2 3.64Å; M24-F26 HydrophobicContact CB-CE2 3.76Å; M24-F26 HydrophobicContact CE-CE2 4.13Å; M24-L58 HydrophobicContact CE-CD2 4.32Å; M24-V97 HydrophobicContact CE-CG1 3.87Å; M24-E100 HydrophobicContact CE-CB 3.9Å; M24-E100 HydrophobicContact CG-CB 4.12Å; M24-E100 HydrophobicContact SD-CB 4.02Å; M24-L101 HydrophobicContact SD-CD1 4.5Å |
| 25 | G | 90 | Very high | 92.5 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 59% | 0.588 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | 10.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V21 K22 L23 | V21-G25 PolarHBondContact O-N 3.15Å; K22-G25 PolarHBondContact O-N 2.8Å; L23-G25 PolarHBondContact O-N 3.44Å |
| 26 | F | 89 | Confident | 92.4 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 40% | 0.404 | 26% | 0.26 | S | S | . | . | trans | -91 | 121 | 179.3 | -60.9 | -67.1 | 0 | 0 | 0 | 111.3 | F6 V21 M24 L58 | F6-F26 HydrophobicContact CD2-CB 4.15Å; F6-F26 HydrophobicContact CE2-CB 3.8Å; V21-F26 HydrophobicContact CG1-CB 3.92Å; V21-F26 PolarHBondContact O-N 3.28Å; M24-F26 HydrophobicContact CB-CD2 3.64Å; M24-F26 HydrophobicContact CB-CE2 3.76Å; M24-F26 HydrophobicContact CE-CE2 4.13Å; F26-L58 HydrophobicContact CD2-CD1 3.59Å; F26-L58 HydrophobicContact CE2-CD1 3.73Å; F26-L58 HydrophobicContact CG-CD1 4.11Å; F26-L58 HydrophobicContact CZ-CD1 4.34Å | ||
| 27 | T | 87.2 | Confident | 92.4 | Very high | 100 Ų | 100 | 48.9 Ų | 48.9 | 61% | 0.613 | 25% | 0.252 | S | S | * | . | trans | -110.5 | -48.1 | 178.1 | 54 | 0 | 0 | 0 | 0 | 112.1 | S5 F6 | S5-T27 WeakPolarHBondContact CA-O 3.47Å; S5-T27 PolarHBondContact OG-O 3.16Å; F6-T27 PolarHBondContact N-O 2.86Å | ||
| 28 | K | 90.9 | Very high | 92.3 | Very high | 97 Ų | 97 | 52 Ų | 52 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -101.6 | 143.5 | 176.9 | -68.2 | -170.2 | 176.6 | -171.7 | 0 | 112.2 | F6 | F6-K28 WeakPolarHBondContact CE2-O 3.25Å |
| 29 | M | 92.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 142.5 | 172.6 | -73.4 | -172.6 | -82.8 | 0 | 0 | 111.3 | S2 Q4 S5 F6 L9 Q33 A34 I37 | S2-M29 WeakPolarHBondContact CB-O 3.24Å; S2-M29 PolarHBondContact N-O 2.96Å; S2-M29 PolarHBondContact OG-O 3.41Å; Q4-M29 HydrophobicContact CB-CE 3.61Å; Q4-M29 PolarHBondContact O-N 3Å; S5-M29 WeakPolarHBondContact O-CE 3.43Å; F6-M29 HydrophobicContact CD1-CG 3.72Å; F6-M29 HydrophobicContact CD1-SD 4.26Å; F6-M29 HydrophobicContact CD2-CG 3.89Å; F6-M29 HydrophobicContact CE1-CG 3.6Å; F6-M29 HydrophobicContact CE1-SD 4.26Å; F6-M29 HydrophobicContact CE2-CB 4.45Å; F6-M29 HydrophobicContact CE2-CG 3.76Å; F6-M29 HydrophobicContact CG-CG 3.88Å; F6-M29 HydrophobicContact CZ-CB 4.48Å; F6-M29 HydrophobicContact CZ-CG 3.63Å; L9-M29 HydrophobicContact CD1-CE 4.43Å; L9-M29 HydrophobicContact CD1-SD 4.07Å; L9-M29 HydrophobicContact CD2-CE 4.49Å; L9-M29 HydrophobicContact CG-CE 4.33Å; M29-Q33 HydrophobicContact CB-CB 3.95Å; M29-Q33 HydrophobicContact CG-CB 4.1Å; M29-Q33 HydrophobicContact SD-CB 4.3Å; M29-A34 HydrophobicContact CB-CB 4.41Å; M29-I37 HydrophobicContact SD-CD1 3.84Å |
| 30 | T | 88.5 | Confident | 92.2 | Very high | 27 Ų | 27 | 46 Ų | 46 | 17% | 0.166 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -68 | 162.1 | 161.1 | 60.3 | 0 | 0 | 0 | 0 | 110.3 | M1 V32 Q33 A34 S54 | M1-T30 HydrophobicContact SD-CG2 3.9Å; T30-V32 VanDerWaalsContact C-N 3.26Å; T30-V32 PolarHBondContact O-N 3.14Å; T30-V32 WeakPolarHBondContact OG1-CG1 3.25Å; T30-Q33 PolarHBondContact O-N 3.21Å; T30-Q33 VanDerWaalsContact O-N 3.12Å; T30-Q33 WeakPolarHBondContact OG1-CB 3.22Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.49Å; T30-Q33 PolarHBondContact OG1-N 3.49Å; T30-Q33 PolarHBondContact OG1-OE1 3.33Å; T30-A34 PolarHBondContact O-N 3Å; T30-S54 WeakPolarHBondContact CB-O 3.34Å; T30-S54 WeakPolarHBondContact CG2-O 3.47Å; T30-S54 PolarHBondContact OG1-O 3.08Å; T30-S54 VanDerWaalsContact OG1-O 3.06Å |
| 31 | E | 88.1 | Confident | 92.3 | Very high | 87 Ų | 87 | 47.5 Ų | 47.5 | 41% | 0.407 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.4 | -37.8 | 178.9 | -166.3 | -172 | 159 | 0 | 0 | 112.6 | A34 K35 | E31-A34 PolarHBondContact O-N 3.16Å; E31-K35 HydrophobicContact CG-CD 4.21Å; E31-K35 WeakPolarHBondContact O-CB 3.32Å; E31-K35 WeakPolarHBondContact O-CG 3.11Å; E31-K35 PolarHBondContact O-N 3.31Å; E31-K35 WeakPolarHBondContact OE1-CE 3.46Å; E31-K35 IonicContact OE1-NZ 2.76Å; E31-K35 PolarHBondContact OE1-NZ 2.93Å |
| 32 | V | 88.6 | Confident | 92.2 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 176.6 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | T30 C36 A50 S54 K56 F190 I215 | T30-V32 VanDerWaalsContact C-N 3.26Å; T30-V32 PolarHBondContact O-N 3.14Å; T30-V32 WeakPolarHBondContact OG1-CG1 3.25Å; V32-C36 WeakPolarHBondContact O-CB 3.24Å; V32-C36 PolarHBondContact O-N 2.87Å; V32-C36 PolarHBondContact O-SG 3.34Å; V32-A50 HydrophobicContact CG2-CB 4.07Å; V32-S54 WeakPolarHBondContact CG1-O 3.45Å; V32-K56 HydrophobicContact CG1-CG 4.48Å; V32-K56 HydrophobicContact CG2-CG 4.17Å; V32-F190 HydrophobicContact CG2-CE1 4.13Å; V32-I215 HydrophobicContact CB-CD1 3.18Å; V32-I215 HydrophobicContact CG2-CD1 3.37Å |
| 33 | Q | 92.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 177.6 | -72.5 | 159.2 | -8.4 | 0 | 0 | 110.2 | M29 T30 K35 C36 I37 G55 A59 | M29-Q33 HydrophobicContact CB-CB 3.95Å; M29-Q33 HydrophobicContact CG-CB 4.1Å; M29-Q33 HydrophobicContact SD-CB 4.3Å; T30-Q33 PolarHBondContact O-N 3.21Å; T30-Q33 VanDerWaalsContact O-N 3.12Å; T30-Q33 WeakPolarHBondContact OG1-CB 3.22Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.49Å; T30-Q33 PolarHBondContact OG1-N 3.49Å; T30-Q33 PolarHBondContact OG1-OE1 3.33Å; Q33-K35 VanDerWaalsContact C-N 3.34Å; Q33-K35 PolarHBondContact O-N 3.18Å; Q33-C36 PolarHBondContact O-N 3.15Å; Q33-I37 HydrophobicContact CB-CD1 3.88Å; Q33-I37 HydrophobicContact CG-CD1 4.44Å; Q33-I37 WeakPolarHBondContact O-CB 3.23Å; Q33-I37 WeakPolarHBondContact O-CG1 3.33Å; Q33-I37 PolarHBondContact O-N 2.99Å; Q33-G55 WeakPolarHBondContact CG-O 3.32Å; Q33-G55 PolarHBondContact NE2-O 3.49Å; Q33-A59 HydrophobicContact CB-CB 4.42Å; Q33-A59 HydrophobicContact CG-CB 3.85Å |
| 34 | A | 91.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M29 T30 E31 | M29-A34 HydrophobicContact CB-CB 4.41Å; T30-A34 PolarHBondContact O-N 3Å; E31-A34 PolarHBondContact O-N 3.16Å |
| 35 | K | 92.3 | Very high | 92.6 | Very high | 86 Ų | 86 | 45 Ų | 45 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -75.9 | -27.9 | 179.9 | -74.1 | 179.3 | 171.6 | 173.5 | 0 | 114.1 | E31 Q33 P39 V213 I215 | E31-K35 HydrophobicContact CG-CD 4.21Å; E31-K35 WeakPolarHBondContact O-CB 3.32Å; E31-K35 WeakPolarHBondContact O-CG 3.11Å; E31-K35 PolarHBondContact O-N 3.31Å; E31-K35 WeakPolarHBondContact OE1-CE 3.46Å; E31-K35 IonicContact OE1-NZ 2.76Å; E31-K35 PolarHBondContact OE1-NZ 2.93Å; Q33-K35 VanDerWaalsContact C-N 3.34Å; Q33-K35 PolarHBondContact O-N 3.18Å; K35-P39 WeakPolarHBondContact O-CG 3.32Å; K35-V213 HydrophobicContact CB-CG1 3.87Å; K35-V213 HydrophobicContact CB-CG2 4.49Å; K35-V213 HydrophobicContact CD-CG1 4.18Å; K35-I215 HydrophobicContact CD-CG1 4.36Å |
| 36 | C | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -98.8 | -36.6 | -173.2 | -61.5 | 0 | 0 | 0 | 0 | 113.7 | V32 Q33 S38 P39 L40 L46 A59 | V32-C36 WeakPolarHBondContact O-CB 3.24Å; V32-C36 PolarHBondContact O-N 2.87Å; V32-C36 PolarHBondContact O-SG 3.34Å; Q33-C36 PolarHBondContact O-N 3.15Å; C36-S38 PolarHBondContact O-N 3.39Å; C36-P39 WeakPolarHBondContact O-CD 3.29Å; C36-L40 HydrophobicContact CB-CD1 4.16Å; C36-L40 WeakPolarHBondContact O-CB 3.39Å; C36-L40 WeakPolarHBondContact O-CD1 3.32Å; C36-L40 WeakPolarHBondContact O-CG 3.27Å; C36-L40 PolarHBondContact O-N 2.89Å; C36-L40 VanDerWaalsContact O-N 3.13Å; C36-L46 HydrophobicContact CB-CD1 3.81Å; C36-A59 HydrophobicContact CB-CB 4.17Å |
| 37 | I | 96.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -49.3 | -168.4 | -72.5 | 170 | 0 | 0 | 0 | 111.4 | F6 L9 M29 Q33 L40 L41 I62 | F6-I37 HydrophobicContact CE1-CD1 4.18Å; L9-I37 HydrophobicContact CD1-CD1 4.2Å; L9-I37 HydrophobicContact CD1-CG2 3.89Å; L9-I37 HydrophobicContact CD2-CG2 3.98Å; M29-I37 HydrophobicContact SD-CD1 3.84Å; Q33-I37 HydrophobicContact CB-CD1 3.88Å; Q33-I37 HydrophobicContact CG-CD1 4.44Å; Q33-I37 WeakPolarHBondContact O-CB 3.23Å; Q33-I37 WeakPolarHBondContact O-CG1 3.33Å; Q33-I37 PolarHBondContact O-N 2.99Å; I37-L40 PolarHBondContact O-N 3.24Å; I37-L41 HydrophobicContact CG2-CD1 3.65Å; I37-L41 HydrophobicContact CG2-CG 4.13Å; I37-L41 VanDerWaalsContact O-CG 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.35Å; I37-L41 PolarHBondContact O-N 2.87Å; I37-I62 HydrophobicContact CD1-CD1 4.12Å |
| 38 | S | 94.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 33.9 Ų | 33.9 | 45% | 0.448 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.5 | -53.4 | -178.5 | 158.5 | 0 | 0 | 0 | 0 | 112.9 | C36 L40 L41 D42 | C36-S38 PolarHBondContact O-N 3.39Å; S38-L40 PolarHBondContact O-N 2.84Å; S38-L41 PolarHBondContact O-N 3.34Å; S38-L41 VanDerWaalsContact O-N 3.07Å; S38-D42 PolarHBondContact O-N 3.01Å; S38-D42 VanDerWaalsContact O-N 3.1Å |
| 39 | P | 94.4 | Very high | 92.9 | Very high | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.1 | -33.3 | 175.9 | -27.9 | 34.6 | 0 | 0 | 0 | 114.4 | K35 C36 R44 Y211 | K35-P39 WeakPolarHBondContact O-CG 3.32Å; C36-P39 WeakPolarHBondContact O-CD 3.29Å; P39-R44 WeakPolarHBondContact O-CB 3.41Å; P39-R44 PolarHBondContact O-N 2.84Å; P39-Y211 HydrophobicContact CB-CD1 3.71Å; P39-Y211 HydrophobicContact CB-CE1 4.07Å; P39-Y211 HydrophobicContact CB-CG 4.07Å; P39-Y211 HydrophobicContact CG-CD1 3.67Å; P39-Y211 HydrophobicContact CG-CE1 3.47Å; P39-Y211 VanDerWaalsContact CG-CE1 3.47Å; P39-Y211 HydrophobicContact CG-CG 4.32Å |
| 40 | L | 97.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.3 | -35.9 | 177.3 | -71.2 | 174.8 | 0 | 0 | 0 | 112.3 | C36 I37 S38 D42 G43 L46 A59 P63 Q186 V188 | C36-L40 HydrophobicContact CB-CD1 4.16Å; C36-L40 WeakPolarHBondContact O-CB 3.39Å; C36-L40 WeakPolarHBondContact O-CD1 3.32Å; C36-L40 WeakPolarHBondContact O-CG 3.27Å; C36-L40 PolarHBondContact O-N 2.89Å; C36-L40 VanDerWaalsContact O-N 3.13Å; I37-L40 PolarHBondContact O-N 3.24Å; S38-L40 PolarHBondContact O-N 2.84Å; L40-D42 PolarHBondContact O-N 2.65Å; L40-G43 PolarHBondContact O-N 3.34Å; L40-L46 HydrophobicContact CD1-CD1 4.16Å; L40-L46 HydrophobicContact CD2-CB 3.59Å; L40-L46 HydrophobicContact CD2-CD1 4.06Å; L40-L46 HydrophobicContact CD2-CG 4.4Å; L40-L46 HydrophobicContact CG-CB 4.35Å; L40-L46 HydrophobicContact CG-CD1 3.86Å; L40-A59 WeakPolarHBondContact CD1-O 3.35Å; L40-P63 HydrophobicContact CB-CB 3.56Å; L40-P63 HydrophobicContact CB-CG 3.56Å; L40-P63 HydrophobicContact CD1-CG 3.7Å; L40-P63 HydrophobicContact CG-CG 4.27Å; L40-Q186 PolarHBondContact O-NE2 3.41Å; L40-V188 HydrophobicContact CD1-CG2 4.47Å; L40-V188 HydrophobicContact CD2-CG1 4.39Å; L40-V188 HydrophobicContact CD2-CG2 3.44Å; L40-V188 VanDerWaalsContact CD2-CG2 3.44Å |
| 41 | L | 96.5 | Very high | 91.2 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -29.4 | 173.1 | -71 | 171.9 | 0 | 0 | 0 | 112.2 | C12 V13 I37 S38 G43 P63 E66 | C12-L41 HydrophobicContact CB-CD1 4.23Å; V13-L41 HydrophobicContact CG2-CD1 3.67Å; V13-L41 HydrophobicContact CG2-CD2 4.09Å; I37-L41 HydrophobicContact CG2-CD1 3.65Å; I37-L41 HydrophobicContact CG2-CG 4.13Å; I37-L41 VanDerWaalsContact O-CG 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.35Å; I37-L41 PolarHBondContact O-N 2.87Å; S38-L41 PolarHBondContact O-N 3.34Å; S38-L41 VanDerWaalsContact O-N 3.07Å; L41-G43 PolarHBondContact O-N 3.44Å; L41-P63 HydrophobicContact CD2-CB 3.95Å; L41-P63 HydrophobicContact CG-CB 4.19Å; L41-E66 HydrophobicContact CD2-CB 3.84Å; L41-E66 HydrophobicContact CD2-CG 3.78Å |
| 42 | D | 94.3 | Very high | 90.1 | Very high | 113 Ų | 113 | 30 Ų | 30 | 60% | 0.604 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -0.4 | 172.7 | -62.3 | -22.8 | 0 | 0 | 0 | 113.1 | S38 L40 R44 | S38-D42 PolarHBondContact O-N 3.01Å; S38-D42 VanDerWaalsContact O-N 3.1Å; L40-D42 PolarHBondContact O-N 2.65Å; D42-R44 VanDerWaalsContact C-N 3.35Å; D42-R44 PolarHBondContact O-N 2.96Å |
| 43 | G | 93.9 | Very high | 89 | Confident | 34 Ų | 34 | 32.2 Ų | 32.2 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 12.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L40 L41 Q186 | L40-G43 PolarHBondContact O-N 3.34Å; L41-G43 PolarHBondContact O-N 3.44Å; G43-Q186 VanDerWaalsContact C-NE2 3.35Å |
| 44 | R | 95.1 | Very high | 88 | Confident | 108 Ų | 108 | 32.8 Ų | 32.8 | 41% | 0.408 | 19% | 0.191 | S | C | . | . | trans | -72.8 | 145.5 | 176.7 | -60.7 | -149.6 | -65 | -126.1 | -2.7 | 111.5 | P39 D42 Q186 | P39-R44 WeakPolarHBondContact O-CB 3.41Å; P39-R44 PolarHBondContact O-N 2.84Å; D42-R44 VanDerWaalsContact C-N 3.35Å; D42-R44 PolarHBondContact O-N 2.96Å; R44-Q186 WeakPolarHBondContact O-CG 3.31Å; R44-Q186 PolarHBondContact O-NE2 3.12Å | ||
| 45 | D | 96.9 | Very high | 87.4 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | trans | -67.1 | 147 | 164.6 | -77.1 | 21.1 | 0 | 0 | 0 | 108.7 | Q186 T187 L206 K207 P210 Y211 | D45-Q186 WeakPolarHBondContact OD1-CA 3.46Å; D45-T187 CarbonylContact C-O 3.57Å; D45-T187 VanDerWaalsContact CA-O 3.23Å; D45-T187 WeakPolarHBondContact CA-O 3.47Å; D45-T187 PolarHBondContact OD1-N 2.93Å; D45-L206 HydrophobicContact CB-CD2 3.82Å; D45-L206 WeakPolarHBondContact OD2-CA 3.41Å; D45-K207 IonicContact OD1-NZ 3.21Å; D45-K207 PolarHBondContact OD1-NZ 3.46Å; D45-K207 WeakPolarHBondContact OD2-CG 3.27Å; D45-K207 PolarHBondContact OD2-N 3.01Å; D45-P210 HydrophobicContact CB-CB 4.17Å; D45-P210 CarbonylContact O-C 3.53Å; D45-P210 WeakPolarHBondContact O-CA 3.5Å; D45-Y211 PolarHBondContact O-N 2.96Å | ||
| 46 | L | 95.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.5 | -175.8 | -176 | 147 | 0 | 0 | 0 | 111.4 | C36 L40 T187 V188 L189 F190 Y211 V213 | C36-L46 HydrophobicContact CB-CD1 3.81Å; L40-L46 HydrophobicContact CD1-CD1 4.16Å; L40-L46 HydrophobicContact CD2-CB 3.59Å; L40-L46 HydrophobicContact CD2-CD1 4.06Å; L40-L46 HydrophobicContact CD2-CG 4.4Å; L40-L46 HydrophobicContact CG-CB 4.35Å; L40-L46 HydrophobicContact CG-CD1 3.86Å; L46-T187 PolarHBondContact N-O 2.87Å; L46-V188 HydrophobicContact CB-CG1 4.33Å; L46-V188 HydrophobicContact CD2-CG1 4.04Å; L46-V188 WeakPolarHBondContact O-CA 3.38Å; L46-L189 PolarHBondContact O-N 3.12Å; L46-F190 HydrophobicContact CD2-CE1 4.11Å; L46-F190 HydrophobicContact CD2-CE2 4.28Å; L46-F190 HydrophobicContact CD2-CZ 3.81Å; L46-Y211 WeakPolarHBondContact CA-O 3.45Å; L46-Y211 HydrophobicContact CD1-CD1 4.29Å; L46-V213 HydrophobicContact CD1-CG2 4.09Å |
| 47 | M | 93.5 | Very high | 87.1 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 112.9 | 168.6 | -175.2 | 163 | 175 | 0 | 0 | 109.4 | L189 I198 A202 L206 Y211 F212 V213 | M47-L189 CarbonylContact C-O 3.59Å; M47-L189 WeakPolarHBondContact CA-O 3.34Å; M47-L189 HydrophobicContact CE-CD2 4.43Å; M47-L189 HydrophobicContact CG-CD2 4.31Å; M47-I198 HydrophobicContact CE-CG2 3.65Å; M47-A202 HydrophobicContact CE-CB 4.47Å; M47-A202 HydrophobicContact SD-CB 3.96Å; M47-L206 HydrophobicContact CB-CD1 4.34Å; M47-L206 HydrophobicContact SD-CD1 4.46Å; M47-Y211 PolarHBondContact N-O 3.18Å; M47-F212 HydrophobicContact CB-CD1 3.85Å; M47-F212 HydrophobicContact CB-CE1 3.86Å; M47-F212 HydrophobicContact CG-CD1 4.11Å; M47-F212 HydrophobicContact CG-CE1 3.99Å; M47-F212 WeakPolarHBondContact O-CA 3.47Å; M47-F212 HydrophobicContact SD-CD1 4.31Å; M47-F212 HydrophobicContact SD-CE1 3.62Å; M47-V213 PolarHBondContact O-N 3.49Å |
| 48 | G | 90 | Very high | 87 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | L189 F190 S191 V213 | G48-L189 PolarHBondContact N-O 3.07Å; G48-F190 WeakPolarHBondContact O-CA 3.49Å; G48-F190 WeakPolarHBondContact O-CD1 3.41Å; G48-S191 PolarHBondContact O-N 3.48Å; G48-V213 CarbonylContact C-O 3.59Å; G48-V213 WeakPolarHBondContact CA-O 3.21Å |
| 49 | A | 84.2 | Confident | 87 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 13% | 0.132 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 102.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S191 V213 I215 | A49-S191 WeakPolarHBondContact CA-O 3.07Å; A49-V213 PolarHBondContact N-O 3.35Å; A49-I215 PolarHBondContact O-N 2.94Å |
| 50 | A | 75.8 | Confident | 87.1 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | trans | -150.3 | 136 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V32 K56 I215 | V32-A50 HydrophobicContact CG2-CB 4.07Å; A50-K56 HydrophobicContact CB-CD 3.98Å; A50-K56 HydrophobicContact CB-CG 4.2Å; A50-K56 PolarHBondContact O-NZ 2.85Å; A50-I215 HydrophobicContact CB-CD1 4.23Å | ||
| 51 | K | 68.7 | Low | 87.2 | Confident | 91 Ų | 91 | 28 Ų | 28 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | trans | -63.3 | 160.9 | 179.1 | 65.5 | -173.9 | 178.4 | -170.6 | 0 | 113 | S54 V224 | K51-S54 WeakPolarHBondContact O-CB 3.21Å; K51-S54 PolarHBondContact O-N 3.09Å; K51-S54 PolarHBondContact O-OG 3.37Å; K51-V224 HydrophobicContact CD-CG1 4.48Å | ||
| 52 | T | 65.7 | Low | 87.2 | Confident | 22 Ų | 22 | 26.5 Ų | 26.5 | 14% | 0.135 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 144.3 | 174.6 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | S54 E161 | T52-S54 VanDerWaalsContact C-N 3.26Å; T52-S54 PolarHBondContact O-N 3.21Å; T52-E161 WeakPolarHBondContact CG2-OE1 3.49Å |
| 53 | G | 64.9 | Low | 87.4 | Confident | 47 Ų | 47 | 21.3 Ų | 21.3 | 49% | 0.485 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 6.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G55 | G53-G55 VanDerWaalsContact C-N 3.27Å; G53-G55 PolarHBondContact O-N 3.31Å |
| 54 | S | 71.6 | Confident | 87.6 | Confident | 20 Ų | 20 | 19.8 Ų | 19.8 | 14% | 0.14 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -76.4 | -8.4 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | T30 V32 K51 T52 K56 | T30-S54 WeakPolarHBondContact CB-O 3.34Å; T30-S54 WeakPolarHBondContact CG2-O 3.47Å; T30-S54 PolarHBondContact OG1-O 3.08Å; T30-S54 VanDerWaalsContact OG1-O 3.06Å; V32-S54 WeakPolarHBondContact CG1-O 3.45Å; K51-S54 WeakPolarHBondContact O-CB 3.21Å; K51-S54 PolarHBondContact O-N 3.09Å; K51-S54 PolarHBondContact O-OG 3.37Å; T52-S54 VanDerWaalsContact C-N 3.26Å; T52-S54 PolarHBondContact O-N 3.21Å; S54-K56 WeakPolarHBondContact OG-CG 3.46Å |
| 55 | G | 79.9 | Confident | 87.8 | Confident | 23 Ų | 23 | 14.7 Ų | 14.7 | 24% | 0.237 | 10% | 0.097 | C | C | . | . | S | Bend | trans | 98.9 | 12.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q33 G53 T57 L58 A59 | Q33-G55 WeakPolarHBondContact CG-O 3.32Å; Q33-G55 PolarHBondContact NE2-O 3.49Å; G53-G55 VanDerWaalsContact C-N 3.27Å; G53-G55 PolarHBondContact O-N 3.31Å; G55-T57 VanDerWaalsContact C-N 3.26Å; G55-T57 PolarHBondContact O-N 3.21Å; G55-L58 PolarHBondContact O-N 3.45Å; G55-A59 PolarHBondContact O-N 3.3Å |
| 56 | K | 87.7 | Confident | 87.8 | Confident | 12 Ų | 12 | 14.7 Ų | 14.7 | 5% | 0.052 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -50.6 | -39.1 | -178.5 | -69.5 | -176.9 | -70.7 | -171.1 | 0 | 114.5 | V32 A50 S54 L58 A59 F60 D160 F190 | V32-K56 HydrophobicContact CG1-CG 4.48Å; V32-K56 HydrophobicContact CG2-CG 4.17Å; A50-K56 HydrophobicContact CB-CD 3.98Å; A50-K56 HydrophobicContact CB-CG 4.2Å; A50-K56 PolarHBondContact O-NZ 2.85Å; S54-K56 WeakPolarHBondContact OG-CG 3.46Å; K56-L58 PolarHBondContact O-N 2.92Å; K56-A59 WeakPolarHBondContact O-CA 3.32Å; K56-A59 WeakPolarHBondContact O-CB 3.45Å; K56-A59 PolarHBondContact O-N 2.88Å; K56-F60 HydrophobicContact CB-CD1 4.5Å; K56-F60 HydrophobicContact CB-CE1 4.34Å; K56-F60 WeakPolarHBondContact O-CD1 3.32Å; K56-F60 WeakPolarHBondContact O-CE1 3.4Å; K56-F60 PolarHBondContact O-N 3.04Å; K56-F60 VanDerWaalsContact O-N 3.11Å; K56-D160 IonicContact NZ-OD1 3.3Å; K56-F190 HydrophobicContact CD-CB 4.04Å; K56-F190 HydrophobicContact CD-CD1 3.57Å; K56-F190 HydrophobicContact CD-CE1 4.14Å; K56-F190 HydrophobicContact CD-CG 3.8Å; K56-F190 HydrophobicContact CG-CD1 4.08Å; K56-F190 HydrophobicContact CG-CE1 4.13Å; K56-F190 HydrophobicContact CG-CG 4.44Å |
| 57 | T | 91.9 | Very high | 87.9 | Confident | 38 Ų | 38 | 16.8 Ų | 16.8 | 23% | 0.233 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.4 | -51.8 | -172.8 | -45 | 0 | 0 | 0 | 0 | 111.8 | G55 A59 F60 L61 T94 V97 | G55-T57 VanDerWaalsContact C-N 3.26Å; G55-T57 PolarHBondContact O-N 3.21Å; T57-A59 VanDerWaalsContact C-N 3.29Å; T57-A59 PolarHBondContact O-N 3.02Å; T57-F60 HydrophobicContact CG2-CE2 4.38Å; T57-F60 HydrophobicContact CG2-CZ 4.09Å; T57-F60 WeakPolarHBondContact O-CD2 3.46Å; T57-F60 PolarHBondContact O-N 2.81Å; T57-L61 HydrophobicContact CG2-CD1 3.74Å; T57-L61 HydrophobicContact CG2-CG 4.29Å; T57-L61 VanDerWaalsContact O-CB 3.28Å; T57-L61 WeakPolarHBondContact O-CB 3.44Å; T57-L61 WeakPolarHBondContact O-CG 3.28Å; T57-L61 PolarHBondContact O-N 3.46Å; T57-T94 HydrophobicContact CG2-CG2 4.21Å; T57-V97 HydrophobicContact CG2-CB 4Å; T57-V97 HydrophobicContact CG2-CG1 3.89Å; T57-V97 HydrophobicContact CG2-CG2 4.2Å |
| 58 | L | 94.4 | Very high | 88.2 | Confident | 7 Ų | 7 | 16.1 Ų | 16.1 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.9 | -29.2 | 174.9 | -71.2 | 176.4 | 0 | 0 | 0 | 112.6 | F6 M24 F26 G55 K56 F60 L61 I62 V97 L101 | F6-L58 HydrophobicContact CZ-CD1 4.43Å; M24-L58 HydrophobicContact CE-CD2 4.32Å; F26-L58 HydrophobicContact CD2-CD1 3.59Å; F26-L58 HydrophobicContact CE2-CD1 3.73Å; F26-L58 HydrophobicContact CG-CD1 4.11Å; F26-L58 HydrophobicContact CZ-CD1 4.34Å; G55-L58 PolarHBondContact O-N 3.45Å; K56-L58 PolarHBondContact O-N 2.92Å; L58-F60 VanDerWaalsContact C-N 3.26Å; L58-F60 PolarHBondContact O-N 2.77Å; L58-L61 PolarHBondContact O-N 2.9Å; L58-I62 HydrophobicContact CB-CD1 4.09Å; L58-I62 HydrophobicContact CD2-CD1 4.48Å; L58-I62 HydrophobicContact CD2-CG1 4.44Å; L58-I62 WeakPolarHBondContact O-CB 3.49Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 3.44Å; L58-I62 VanDerWaalsContact O-N 3.14Å; L58-V97 HydrophobicContact CD2-CG1 3.88Å; L58-V97 HydrophobicContact CG-CG1 4.38Å; L58-L101 HydrophobicContact CD2-CD1 4.29Å; L58-L101 HydrophobicContact CD2-CD2 4.42Å |
| 59 | A | 95.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.1 | -33.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q33 C36 L40 G55 K56 T57 P63 | Q33-A59 HydrophobicContact CB-CB 4.42Å; Q33-A59 HydrophobicContact CG-CB 3.85Å; C36-A59 HydrophobicContact CB-CB 4.17Å; L40-A59 WeakPolarHBondContact CD1-O 3.35Å; G55-A59 PolarHBondContact O-N 3.3Å; K56-A59 WeakPolarHBondContact O-CA 3.32Å; K56-A59 WeakPolarHBondContact O-CB 3.45Å; K56-A59 PolarHBondContact O-N 2.88Å; T57-A59 VanDerWaalsContact C-N 3.29Å; T57-A59 PolarHBondContact O-N 3.02Å; A59-P63 VanDerWaalsContact O-CD 3.27Å; A59-P63 WeakPolarHBondContact O-CD 3.4Å; A59-P63 VanDerWaalsContact O-CG 3.24Å; A59-P63 WeakPolarHBondContact O-CG 3.45Å |
| 60 | F | 96.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -99.7 | -28.1 | 174.5 | 61.2 | -112 | 0 | 0 | 0 | 114.4 | K56 T57 L58 P63 A64 I83 T94 I158 D160 V188 F190 | K56-F60 HydrophobicContact CB-CD1 4.5Å; K56-F60 HydrophobicContact CB-CE1 4.34Å; K56-F60 WeakPolarHBondContact O-CD1 3.32Å; K56-F60 WeakPolarHBondContact O-CE1 3.4Å; K56-F60 PolarHBondContact O-N 3.04Å; K56-F60 VanDerWaalsContact O-N 3.11Å; T57-F60 HydrophobicContact CG2-CE2 4.38Å; T57-F60 HydrophobicContact CG2-CZ 4.09Å; T57-F60 WeakPolarHBondContact O-CD2 3.46Å; T57-F60 PolarHBondContact O-N 2.81Å; L58-F60 VanDerWaalsContact C-N 3.26Å; L58-F60 PolarHBondContact O-N 2.77Å; F60-P63 WeakPolarHBondContact O-CG 3.25Å; F60-A64 VanDerWaalsContact O-CB 3.28Å; F60-A64 WeakPolarHBondContact O-CB 3.32Å; F60-A64 PolarHBondContact O-N 3.36Å; F60-I83 HydrophobicContact CE2-CG2 4.06Å; F60-I83 HydrophobicContact CZ-CG2 4.42Å; F60-T94 HydrophobicContact CE2-CG2 4.09Å; F60-T94 HydrophobicContact CZ-CG2 4.2Å; F60-I158 HydrophobicContact CB-CD1 4.07Å; F60-I158 HydrophobicContact CB-CG1 4.34Å; F60-I158 HydrophobicContact CB-CG2 4.23Å; F60-I158 HydrophobicContact CD1-CG2 4.14Å; F60-I158 HydrophobicContact CD2-CD1 3.72Å; F60-I158 HydrophobicContact CD2-CG1 4.45Å; F60-I158 HydrophobicContact CD2-CG2 3.82Å; F60-I158 HydrophobicContact CE1-CG2 4.41Å; F60-I158 HydrophobicContact CE2-CG2 4.12Å; F60-I158 HydrophobicContact CG-CD1 4.24Å; F60-I158 HydrophobicContact CG-CG2 3.83Å; F60-I158 HydrophobicContact CZ-CG2 4.41Å; F60-D160 HydrophobicContact CE1-CB 4.4Å; F60-V188 HydrophobicContact CB-CG1 4.32Å; F60-F190 HydrophobicContact CB-CE2 4.18Å; F60-F190 AromaticContact CD1-CD2 3.88Å; F60-F190 HydrophobicContact CD1-CD2 3.88Å; F60-F190 AromaticContact CD1-CE2 3.77Å; F60-F190 HydrophobicContact CD1-CE2 3.77Å; F60-F190 HydrophobicContact CG-CE2 4.47Å |
| 61 | L | 98 | Very high | 90.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.7 | -41.8 | -178.3 | -73.8 | -175.7 | 0 | 0 | 0 | 112.5 | T57 L58 A64 V65 I83 V97 L98 L101 | T57-L61 HydrophobicContact CG2-CD1 3.74Å; T57-L61 HydrophobicContact CG2-CG 4.29Å; T57-L61 VanDerWaalsContact O-CB 3.28Å; T57-L61 WeakPolarHBondContact O-CB 3.44Å; T57-L61 WeakPolarHBondContact O-CG 3.28Å; T57-L61 PolarHBondContact O-N 3.46Å; L58-L61 PolarHBondContact O-N 2.9Å; L61-A64 PolarHBondContact O-N 3.42Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 2.87Å; L61-I83 HydrophobicContact CD2-CD1 4.24Å; L61-I83 HydrophobicContact CD2-CG1 4.26Å; L61-V97 HydrophobicContact CD1-CB 4.18Å; L61-V97 HydrophobicContact CD1-CG1 3.83Å; L61-L98 HydrophobicContact CD1-CB 4.1Å; L61-L98 HydrophobicContact CD2-CD1 4.17Å; L61-L101 HydrophobicContact CB-CD2 3.66Å |
| 62 | I | 98.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56 | -55.8 | 178.4 | -69 | 169.7 | 0 | 0 | 0 | 111.3 | F6 V13 T17 V21 I37 L58 A64 V65 E66 L101 | F6-I62 HydrophobicContact CD1-CD1 4.12Å; F6-I62 HydrophobicContact CE1-CD1 3.55Å; V13-I62 HydrophobicContact CG1-CG2 4.1Å; V13-I62 HydrophobicContact CG2-CG2 4.09Å; T17-I62 HydrophobicContact CG2-CG1 4.39Å; T17-I62 HydrophobicContact CG2-CG2 4.23Å; V21-I62 HydrophobicContact CG2-CD1 3.95Å; V21-I62 HydrophobicContact CG2-CG1 4.31Å; I37-I62 HydrophobicContact CD1-CD1 4.12Å; L58-I62 HydrophobicContact CB-CD1 4.09Å; L58-I62 HydrophobicContact CD2-CD1 4.48Å; L58-I62 HydrophobicContact CD2-CG1 4.44Å; L58-I62 WeakPolarHBondContact O-CB 3.49Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 3.44Å; L58-I62 VanDerWaalsContact O-N 3.14Å; I62-A64 VanDerWaalsContact C-N 3.31Å; I62-A64 PolarHBondContact O-N 3.05Å; I62-V65 PolarHBondContact O-N 3.26Å; I62-E66 WeakPolarHBondContact O-CB 3.3Å; I62-E66 PolarHBondContact O-N 3.17Å; I62-L101 HydrophobicContact CG1-CD1 4.31Å; I62-L101 HydrophobicContact CG1-CD2 4.26Å |
| 63 | P | 98 | Very high | 93 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.7 | -32 | 179.5 | 23.3 | -32.8 | 0 | 0 | 0 | 113.1 | L40 L41 A59 F60 E66 L67 | L40-P63 HydrophobicContact CB-CB 3.56Å; L40-P63 HydrophobicContact CB-CG 3.56Å; L40-P63 HydrophobicContact CD1-CG 3.7Å; L40-P63 HydrophobicContact CG-CG 4.27Å; L41-P63 HydrophobicContact CD2-CB 3.95Å; L41-P63 HydrophobicContact CG-CB 4.19Å; A59-P63 VanDerWaalsContact O-CD 3.27Å; A59-P63 WeakPolarHBondContact O-CD 3.4Å; A59-P63 VanDerWaalsContact O-CG 3.24Å; A59-P63 WeakPolarHBondContact O-CG 3.45Å; F60-P63 WeakPolarHBondContact O-CG 3.25Å; P63-E66 PolarHBondContact O-N 3.06Å; P63-L67 VanDerWaalsContact O-CB 3.32Å; P63-L67 WeakPolarHBondContact O-CB 3.23Å; P63-L67 PolarHBondContact O-N 3.29Å |
| 64 | A | 98.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.8 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F60 L61 I62 L68 I158 | F60-A64 VanDerWaalsContact O-CB 3.28Å; F60-A64 WeakPolarHBondContact O-CB 3.32Å; F60-A64 PolarHBondContact O-N 3.36Å; L61-A64 PolarHBondContact O-N 3.42Å; I62-A64 VanDerWaalsContact C-N 3.31Å; I62-A64 PolarHBondContact O-N 3.05Å; A64-L68 PolarHBondContact O-N 3.38Å; A64-I158 HydrophobicContact CB-CD1 3.91Å |
| 65 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | L61 I62 L67 L68 Y69 L98 L101 L102 F107 I131 | L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 2.87Å; I62-V65 PolarHBondContact O-N 3.26Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 2.81Å; V65-L68 PolarHBondContact O-N 3.02Å; V65-Y69 WeakPolarHBondContact O-CB 3.41Å; V65-Y69 PolarHBondContact O-N 3.21Å; V65-L98 HydrophobicContact CG2-CD1 4.28Å; V65-L101 HydrophobicContact CG2-CD2 3.99Å; V65-L102 HydrophobicContact CG1-CD2 3.89Å; V65-L102 HydrophobicContact CG2-CD2 3.74Å; V65-F107 HydrophobicContact CG1-CD2 4.48Å; V65-F107 HydrophobicContact CG1-CE2 4.16Å; V65-I131 HydrophobicContact CG2-CD1 3.98Å |
| 66 | E | 98.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | -179.9 | -171.6 | 56.3 | -148.8 | 0 | 0 | 112.4 | S14 L41 I62 P63 L68 Y69 K70 | S14-E66 WeakPolarHBondContact CB-OE2 3.27Å; S14-E66 PolarHBondContact N-OE2 2.83Å; S14-E66 PolarHBondContact OG-OE2 2.83Å; L41-E66 HydrophobicContact CD2-CB 3.84Å; L41-E66 HydrophobicContact CD2-CG 3.78Å; I62-E66 WeakPolarHBondContact O-CB 3.3Å; I62-E66 PolarHBondContact O-N 3.17Å; P63-E66 PolarHBondContact O-N 3.06Å; E66-L68 PolarHBondContact O-N 2.85Å; E66-Y69 WeakPolarHBondContact O-CB 3.48Å; E66-Y69 PolarHBondContact O-N 3.1Å; E66-K70 HydrophobicContact CG-CD 4.31Å; E66-K70 WeakPolarHBondContact O-CG 3.47Å; E66-K70 PolarHBondContact O-N 3.39Å; E66-K70 WeakPolarHBondContact OE1-CE 3.39Å |
| 67 | L | 97.9 | Very high | 96.9 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -50.2 | 174.5 | 175.1 | 63.9 | 0 | 0 | 0 | 111.4 | P63 V65 Y69 K70 L71 Q155 C156 | P63-L67 VanDerWaalsContact O-CB 3.32Å; P63-L67 WeakPolarHBondContact O-CB 3.23Å; P63-L67 PolarHBondContact O-N 3.29Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 2.81Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.24Å; L67-K70 PolarHBondContact O-N 3.31Å; L67-L71 HydrophobicContact CD1-CD1 3.9Å; L67-L71 HydrophobicContact CD1-CG 4.39Å; L67-L71 HydrophobicContact CG-CD1 4.12Å; L67-L71 WeakPolarHBondContact O-CB 3.46Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.18Å; L67-L71 PolarHBondContact O-N 2.85Å; L67-L71 VanDerWaalsContact O-N 3.09Å; L67-Q155 HydrophobicContact CD2-CB 3.89Å; L67-Q155 HydrophobicContact CG-CB 4.44Å; L67-C156 HydrophobicContact CD2-CB 3.9Å |
| 68 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.6 | -32.3 | 179.5 | -63.5 | -168.8 | 0 | 0 | 0 | 112.3 | A64 V65 E66 L71 K72 F73 C81 F107 C130 I131 Q155 | A64-L68 PolarHBondContact O-N 3.38Å; V65-L68 PolarHBondContact O-N 3.02Å; E66-L68 PolarHBondContact O-N 2.85Å; L68-L71 PolarHBondContact O-N 3Å; L68-K72 PolarHBondContact O-N 3.49Å; L68-F73 HydrophobicContact CB-CB 3.96Å; L68-F73 HydrophobicContact CD2-CB 4.15Å; L68-F73 HydrophobicContact CD2-CD2 3.96Å; L68-F73 HydrophobicContact CD2-CG 3.99Å; L68-F73 WeakPolarHBondContact O-CB 3.45Å; L68-F73 PolarHBondContact O-N 3.2Å; L68-C81 HydrophobicContact CD1-CB 4.07Å; L68-F107 HydrophobicContact CB-CE1 4.02Å; L68-F107 HydrophobicContact CB-CE2 4.37Å; L68-F107 HydrophobicContact CB-CZ 3.88Å; L68-C130 HydrophobicContact CD1-CB 4.4Å; L68-I131 HydrophobicContact CD1-CD1 4.02Å; L68-I131 HydrophobicContact CD1-CG1 3.52Å; L68-Q155 HydrophobicContact CD2-CB 4.2Å; L68-Q155 HydrophobicContact CD2-CG 4.21Å |
| 69 | Y | 97.6 | Very high | 97.4 | Very high | 116 Ų | 116 | 48 Ų | 48 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.1 | -50.9 | 174.5 | 179 | -99.2 | 0 | 0 | 0 | 112.1 | V65 E66 L67 L71 K72 H105 | V65-Y69 WeakPolarHBondContact O-CB 3.41Å; V65-Y69 PolarHBondContact O-N 3.21Å; E66-Y69 WeakPolarHBondContact O-CB 3.48Å; E66-Y69 PolarHBondContact O-N 3.1Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.24Å; Y69-L71 VanDerWaalsContact C-N 3.25Å; Y69-L71 PolarHBondContact O-N 3.49Å; Y69-K72 PolarHBondContact O-N 3.39Å; Y69-H105 AromaticContact CD2-CE1 3.83Å; Y69-H105 AromaticContact CD2-ND1 3.87Å |
| 70 | K | 96.6 | Very high | 97.6 | Very high | 118 Ų | 118 | 48 Ų | 48 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.6 | -36 | 176.7 | -72.2 | -179.7 | 179.4 | 170 | 0 | 112.3 | C12 E66 L67 K72 | C12-K70 PolarHBondContact O-NZ 2.88Å; E66-K70 HydrophobicContact CG-CD 4.31Å; E66-K70 WeakPolarHBondContact O-CG 3.47Å; E66-K70 PolarHBondContact O-N 3.39Å; E66-K70 WeakPolarHBondContact OE1-CE 3.39Å; L67-K70 PolarHBondContact O-N 3.31Å; K70-K72 PolarHBondContact O-N 3.01Å |
| 71 | L | 96.5 | Very high | 97.7 | Very high | 86 Ų | 86 | 48 Ų | 48 | 45% | 0.45 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -2.9 | 176 | -66.9 | 174.9 | 0 | 0 | 0 | 113.9 | L67 L68 Y69 F73 Q155 | L67-L71 HydrophobicContact CD1-CD1 3.9Å; L67-L71 HydrophobicContact CD1-CG 4.39Å; L67-L71 HydrophobicContact CG-CD1 4.12Å; L67-L71 WeakPolarHBondContact O-CB 3.46Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.18Å; L67-L71 PolarHBondContact O-N 2.85Å; L67-L71 VanDerWaalsContact O-N 3.09Å; L68-L71 PolarHBondContact O-N 3Å; Y69-L71 VanDerWaalsContact C-N 3.25Å; Y69-L71 PolarHBondContact O-N 3.49Å; L71-F73 PolarHBondContact O-N 2.81Å; L71-Q155 HydrophobicContact CD1-CB 4.23Å; L71-Q155 HydrophobicContact CD1-CG 3.63Å |
| 72 | K | 96.9 | Very high | 97.7 | Very high | 174 Ų | 174 | 48 Ų | 48 | 76% | 0.757 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 42.7 | -174.6 | -55.4 | -177 | -179.4 | 179.3 | 0 | 111.7 | L68 Y69 K70 L74 | L68-K72 PolarHBondContact O-N 3.49Å; Y69-K72 PolarHBondContact O-N 3.39Å; K70-K72 PolarHBondContact O-N 3.01Å; K72-L74 PolarHBondContact O-N 3.38Å |
| 73 | F | 97.9 | Very high | 97.7 | Very high | 15 Ų | 15 | 48 Ų | 48 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | trans | -66.3 | 124.3 | -173 | -159.1 | -86 | 0 | 0 | 0 | 110.8 | L68 L71 N77 G78 G80 F107 C130 N153 Q155 | L68-F73 HydrophobicContact CB-CB 3.96Å; L68-F73 HydrophobicContact CD2-CB 4.15Å; L68-F73 HydrophobicContact CD2-CD2 3.96Å; L68-F73 HydrophobicContact CD2-CG 3.99Å; L68-F73 WeakPolarHBondContact O-CB 3.45Å; L68-F73 PolarHBondContact O-N 3.2Å; L71-F73 PolarHBondContact O-N 2.81Å; F73-N77 HydrophobicContact CD1-CB 4Å; F73-N77 HydrophobicContact CD2-CB 4.16Å; F73-N77 HydrophobicContact CE1-CB 3.55Å; F73-N77 HydrophobicContact CE2-CB 3.73Å; F73-N77 HydrophobicContact CG-CB 4.29Å; F73-N77 HydrophobicContact CZ-CB 3.39Å; F73-G78 WeakPolarHBondContact CE1-O 3.39Å; F73-G80 VanDerWaalsContact CZ-N 3.34Å; F73-F107 HydrophobicContact CB-CE1 4.32Å; F73-F107 VanDerWaalsContact O-CE1 3.32Å; F73-F107 WeakPolarHBondContact O-CE1 3.3Å; F73-C130 HydrophobicContact CD1-CB 3.98Å; F73-C130 HydrophobicContact CE1-CB 4.21Å; F73-N153 HydrophobicContact CE2-CB 4.24Å; F73-N153 HydrophobicContact CZ-CB 4.31Å; F73-Q155 HydrophobicContact CE2-CG 4.4Å | ||
| 74 | L | 97 | Very high | 97.8 | Very high | 84 Ų | 84 | 47.8 Ų | 47.8 | 44% | 0.44 | 21% | 0.214 | S | C | . | . | trans | -106.1 | 160.3 | -177.5 | -61.2 | 174.4 | 0 | 0 | 0 | 111 | K72 R76 N77 | K72-L74 PolarHBondContact O-N 3.38Å; L74-R76 HydrophobicContact CB-CG 4.02Å; L74-R76 PolarHBondContact O-N 2.86Å; L74-R76 VanDerWaalsContact O-N 3.15Å; L74-N77 WeakPolarHBondContact CB-OD1 3.33Å; L74-N77 PolarHBondContact N-OD1 2.93Å; L74-N77 VanDerWaalsContact O-CB 3.25Å; L74-N77 WeakPolarHBondContact O-CB 3.43Å; L74-N77 PolarHBondContact O-N 3.28Å; L74-N77 PolarHBondContact O-OD1 3.41Å | ||
| 75 | Q | 97.1 | Very high | 97.6 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 45% | 0.453 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -54.1 | -37.4 | 177.3 | -175.4 | 171.5 | 16.3 | 0 | 0 | 113.2 | N77 G78 K127 G128 | Q75-N77 PolarHBondContact O-N 2.74Å; Q75-N77 VanDerWaalsContact O-N 3.16Å; Q75-G78 PolarHBondContact O-N 3.21Å; Q75-K127 PolarHBondContact NE2-O 3.37Å; Q75-G128 WeakPolarHBondContact CG-O 3.47Å; Q75-G128 PolarHBondContact NE2-O 3.37Å |
| 76 | R | 95.8 | Very high | 97.1 | Very high | 208 Ų | 208 | 47.9 Ų | 47.9 | 79% | 0.785 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -62 | -19.9 | 175.9 | 67.9 | 177.2 | 179.8 | -178.5 | -1.3 | 114.1 | L74 G78 | L74-R76 HydrophobicContact CB-CG 4.02Å; L74-R76 PolarHBondContact O-N 2.86Å; L74-R76 VanDerWaalsContact O-N 3.15Å; R76-G78 PolarHBondContact O-N 3.41Å |
| 77 | N | 97.2 | Very high | 96.6 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -76.6 | -10 | 176 | -59.8 | 115 | 0 | 0 | 0 | 112.2 | F73 L74 Q75 N153 | F73-N77 HydrophobicContact CD1-CB 4Å; F73-N77 HydrophobicContact CD2-CB 4.16Å; F73-N77 HydrophobicContact CE1-CB 3.55Å; F73-N77 HydrophobicContact CE2-CB 3.73Å; F73-N77 HydrophobicContact CG-CB 4.29Å; F73-N77 HydrophobicContact CZ-CB 3.39Å; L74-N77 WeakPolarHBondContact CB-OD1 3.33Å; L74-N77 PolarHBondContact N-OD1 2.93Å; L74-N77 VanDerWaalsContact O-CB 3.25Å; L74-N77 WeakPolarHBondContact O-CB 3.43Å; L74-N77 PolarHBondContact O-N 3.28Å; L74-N77 PolarHBondContact O-OD1 3.41Å; Q75-N77 PolarHBondContact O-N 2.74Å; Q75-N77 VanDerWaalsContact O-N 3.16Å; N77-N153 PolarHBondContact O-ND2 2.95Å |
| 78 | G | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | 85.8 | -131.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | F73 Q75 R76 V129 C130 V150 | F73-G78 WeakPolarHBondContact CE1-O 3.39Å; Q75-G78 PolarHBondContact O-N 3.21Å; R76-G78 PolarHBondContact O-N 3.41Å; G78-V129 CarbonylContact C-O 3.57Å; G78-V129 CarbonylContact O-C 3.53Å; G78-V129 VanDerWaalsContact O-O 3.04Å; G78-C130 VanDerWaalsContact O-CA 3.27Å; G78-C130 WeakPolarHBondContact O-CA 3.49Å; G78-C130 PolarHBondContact O-N 3.13Å; G78-V150 CarbonylContact C-O 3.54Å; G78-V150 WeakPolarHBondContact CA-O 3.24Å | ||
| 79 | T | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -100.7 | 116.7 | 179.1 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | C81 I82 V129 L132 F149 V150 L154 | T79-C81 WeakPolarHBondContact CG2-O 3.34Å; T79-I82 HydrophobicContact CG2-CD1 4.17Å; T79-I82 HydrophobicContact CG2-CG1 3.56Å; T79-V129 WeakPolarHBondContact CA-O 3.42Å; T79-V129 VanDerWaalsContact CB-O 3.28Å; T79-V129 WeakPolarHBondContact CB-O 3.34Å; T79-V129 PolarHBondContact OG1-O 3.18Å; T79-L132 HydrophobicContact CG2-CB 3.92Å; T79-F149 WeakPolarHBondContact OG1-CE2 3.41Å; T79-V150 PolarHBondContact N-O 2.77Å; T79-L154 HydrophobicContact CG2-CD1 4.33Å; T79-L154 WeakPolarHBondContact O-CA 3.47Å; T79-L154 PolarHBondContact O-N 3.39Å | ||
| 80 | G | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -99.1 | -25 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F73 C130 Q155 C156 | F73-G80 VanDerWaalsContact CZ-N 3.34Å; G80-C130 PolarHBondContact N-O 3.27Å; G80-Q155 WeakPolarHBondContact O-CA 3.03Å; G80-Q155 PolarHBondContact O-N 3.41Å; G80-C156 PolarHBondContact O-N 2.97Å |
| 81 | C | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 135.8 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | L68 T79 C130 I131 L132 C156 | L68-C81 HydrophobicContact CD1-CB 4.07Å; T79-C81 WeakPolarHBondContact CG2-O 3.34Å; C81-C130 PolarHBondContact N-O 3.02Å; C81-I131 HydrophobicContact CB-CG1 4.27Å; C81-I131 HydrophobicContact CB-CG2 4.2Å; C81-I131 WeakPolarHBondContact O-CA 3.33Å; C81-L132 PolarHBondContact O-N 3.11Å; C81-C156 WeakPolarHBondContact CA-O 3.24Å; C81-C156 HydrophobicContact CB-CB 4.33Å |
| 82 | I | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.5 | 172.8 | -67.2 | 170.7 | 0 | 0 | 0 | 108.9 | T79 I84 L132 L139 L154 C156 L157 I158 L181 | T79-I82 HydrophobicContact CG2-CD1 4.17Å; T79-I82 HydrophobicContact CG2-CG1 3.56Å; I82-I84 HydrophobicContact CG2-CD1 4.35Å; I82-I84 HydrophobicContact CG2-CG1 3.79Å; I82-L132 CarbonylContact C-O 3.58Å; I82-L132 WeakPolarHBondContact CA-O 3.31Å; I82-L132 HydrophobicContact CG1-CB 4.34Å; I82-L139 HydrophobicContact CD1-CD1 4.39Å; I82-L139 HydrophobicContact CG2-CD2 3.66Å; I82-L154 HydrophobicContact CB-CD1 4.12Å; I82-L154 HydrophobicContact CD1-CD1 3.74Å; I82-L154 HydrophobicContact CD1-CD2 4.26Å; I82-L154 HydrophobicContact CG1-CD1 3.61Å; I82-C156 PolarHBondContact N-O 3.47Å; I82-L157 HydrophobicContact CB-CD1 4.17Å; I82-L157 HydrophobicContact CG2-CD1 4.08Å; I82-I158 PolarHBondContact O-N 3.44Å; I82-L181 HydrophobicContact CD1-CD1 4.24Å; I82-L181 HydrophobicContact CD1-CD2 3.87Å |
| 83 | I | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.5 | 171.3 | -54 | 90 | 0 | 0 | 0 | 108.5 | F60 L61 T94 I131 L132 V133 A134 I158 | F60-I83 HydrophobicContact CE2-CG2 4.06Å; F60-I83 HydrophobicContact CZ-CG2 4.42Å; L61-I83 HydrophobicContact CD2-CD1 4.24Å; L61-I83 HydrophobicContact CD2-CG1 4.26Å; I83-T94 HydrophobicContact CG2-CG2 4.01Å; I83-I131 HydrophobicContact CD1-CG2 3.59Å; I83-L132 PolarHBondContact N-O 3.49Å; I83-V133 HydrophobicContact CB-CG1 4.43Å; I83-V133 HydrophobicContact CB-CG2 4.37Å; I83-V133 HydrophobicContact CD1-CG2 4.16Å; I83-V133 CarbonylContact O-C 3.51Å; I83-V133 WeakPolarHBondContact O-CA 3.37Å; I83-A134 PolarHBondContact O-N 3.18Å; I83-I158 CarbonylContact C-O 3.58Å; I83-I158 WeakPolarHBondContact CA-O 3.35Å; I83-I158 HydrophobicContact CB-CB 4.38Å; I83-I158 HydrophobicContact CG1-CB 4.07Å; I83-I158 HydrophobicContact CG1-CD1 3.72Å; I83-I158 HydrophobicContact CG1-CG1 4.48Å; I83-I158 HydrophobicContact CG2-CB 4.18Å; I83-I158 HydrophobicContact CG2-CG2 4Å |
| 84 | I | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.5 | 178.4 | -52.9 | 179.8 | 0 | 0 | 0 | 108.9 | I82 A134 P136 L139 L157 I158 D160 I165 M174 I177 | I82-I84 HydrophobicContact CG2-CD1 4.35Å; I82-I84 HydrophobicContact CG2-CG1 3.79Å; I84-A134 WeakPolarHBondContact CA-O 3.17Å; I84-P136 HydrophobicContact CG2-CB 4.38Å; I84-P136 HydrophobicContact CG2-CG 3.66Å; I84-L139 HydrophobicContact CD1-CD2 3.61Å; I84-L139 HydrophobicContact CG1-CD2 3.79Å; I84-L157 HydrophobicContact CD1-CD1 3.84Å; I84-L157 HydrophobicContact CG1-CD1 4.19Å; I84-I158 PolarHBondContact N-O 3.41Å; I84-D160 PolarHBondContact O-N 3.38Å; I84-I165 HydrophobicContact CG2-CD1 4Å; I84-M174 HydrophobicContact CD1-CE 3.92Å; I84-M174 HydrophobicContact CD1-SD 4.05Å; I84-M174 HydrophobicContact CG2-SD 3.92Å; I84-I177 HydrophobicContact CD1-CD1 4.46Å; I84-I177 HydrophobicContact CD1-CG2 3.92Å |
| 85 | S | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -132 | 151.1 | 175.9 | -46.4 | 0 | 0 | 0 | 0 | 110.7 | T87 A134 P136 | S85-T87 PolarHBondContact O-N 3.34Å; S85-A134 PolarHBondContact N-O 3.29Å; S85-P136 VanDerWaalsContact O-CD 3.3Å; S85-P136 WeakPolarHBondContact O-CD 3.31Å | ||
| 86 | P | 89 | Confident | 93 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.032 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -63.1 | -34.6 | -174.2 | 23.3 | -37.8 | 0 | 0 | 0 | 114.9 | L90 D160 E161 R164 I165 I168 | P86-L90 HydrophobicContact CG-CD2 3.91Å; P86-D160 VanDerWaalsContact CD-O 3.3Å; P86-D160 WeakPolarHBondContact CD-O 3.49Å; P86-E161 HydrophobicContact CG-CB 3.86Å; P86-R164 HydrophobicContact CB-CB 4.06Å; P86-R164 HydrophobicContact CB-CG 3.77Å; P86-R164 HydrophobicContact CG-CB 4Å; P86-R164 HydrophobicContact CG-CG 3.82Å; P86-I165 HydrophobicContact CB-CG1 3.77Å; P86-I165 HydrophobicContact CG-CG1 4.36Å; P86-I168 HydrophobicContact CB-CD1 3.83Å |
| 87 | T | 86 | Confident | 92.9 | Very high | 12 Ų | 12 | 15.8 Ų | 15.8 | 7% | 0.074 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -125 | 152.7 | -172.3 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | S85 E89 L90 S91 I168 R314 | S85-T87 PolarHBondContact O-N 3.34Å; T87-E89 PolarHBondContact O-N 3.14Å; T87-L90 PolarHBondContact O-N 3.15Å; T87-L90 WeakPolarHBondContact OG1-CB 3.45Å; T87-L90 PolarHBondContact OG1-N 2.95Å; T87-S91 PolarHBondContact O-N 3.39Å; T87-S91 PolarHBondContact O-OG 3.2Å; T87-I168 HydrophobicContact CG2-CD1 4.22Å; T87-R314 HydrophobicContact CG2-CB 4.18Å; T87-R314 WeakPolarHBondContact CG2-O 3.4Å; T87-R314 PolarHBondContact OG1-O 2.83Å |
| 88 | R | 85.2 | Confident | 93 | Very high | 81 Ų | 81 | 13.3 Ų | 13.3 | 31% | 0.306 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -57.7 | -38.9 | 179.4 | -60.8 | 173.7 | -174.9 | 169.5 | -2.1 | 110.7 | S91 M92 I113 G114 T135 | R88-S91 PolarHBondContact O-N 3.13Å; R88-M92 WeakPolarHBondContact O-CG 3.35Å; R88-M92 PolarHBondContact O-N 3.43Å; R88-I113 HydrophobicContact CB-CB 4.33Å; R88-I113 HydrophobicContact CB-CD1 4.09Å; R88-I113 HydrophobicContact CG-CB 4.15Å; R88-G114 WeakPolarHBondContact CD-O 3.49Å; R88-G114 PolarHBondContact NE-O 3.43Å; R88-T135 HydrophobicContact CG-CG2 4.09Å |
| 89 | E | 81.6 | Confident | 92.9 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -74.4 | -39.1 | -176.3 | -62.9 | 77.7 | -153.3 | 0 | 0 | 112.4 | T87 S91 M92 Q93 Q288 R291 L316 | T87-E89 PolarHBondContact O-N 3.14Å; E89-S91 VanDerWaalsContact C-N 3.34Å; E89-M92 WeakPolarHBondContact O-CB 3.19Å; E89-M92 PolarHBondContact O-N 3.02Å; E89-Q93 VanDerWaalsContact O-CG 3.32Å; E89-Q93 WeakPolarHBondContact O-CG 3.35Å; E89-Q93 PolarHBondContact O-N 2.9Å; E89-Q288 PolarHBondContact OE1-NE2 3.39Å; E89-R291 IonicContact OE1-CZ 3.85Å; E89-R291 IonicContact OE1-NE 3.77Å; E89-R291 IonicContact OE1-NH1 2.68Å; E89-R291 PolarHBondContact OE1-NH1 3.04Å; E89-R291 IonicContact OE1-NH2 2.62Å; E89-R291 PolarHBondContact OE1-NH2 3.2Å; E89-R291 IonicContact OE2-CZ 3.17Å; E89-R291 IonicContact OE2-NH1 3.07Å; E89-R291 IonicContact OE2-NH2 2.95Å; E89-R291 PolarHBondContact OE2-NH2 2.77Å; E89-R291 VanDerWaalsContact OE2-NH2 3.07Å; E89-L316 HydrophobicContact CB-CD2 3.18Å; E89-L316 HydrophobicContact CG-CD2 3.43Å; E89-L316 VanDerWaalsContact CG-CD2 3.43Å |
| 90 | L | 85.7 | Confident | 92.8 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 6% | 0.063 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 171.7 | -175.7 | 54.8 | 0 | 0 | 0 | 111 | P86 T87 M92 Q93 T94 E161 G315 | P86-L90 HydrophobicContact CG-CD2 3.91Å; T87-L90 PolarHBondContact O-N 3.15Å; T87-L90 WeakPolarHBondContact OG1-CB 3.45Å; T87-L90 PolarHBondContact OG1-N 2.95Å; L90-M92 VanDerWaalsContact C-N 3.3Å; L90-M92 PolarHBondContact O-N 2.82Å; L90-Q93 PolarHBondContact O-N 3.46Å; L90-T94 PolarHBondContact O-N 3.24Å; L90-T94 PolarHBondContact O-OG1 3.28Å; L90-E161 HydrophobicContact CD2-CG 4.05Å; L90-G315 WeakPolarHBondContact CA-O 3.28Å; L90-G315 WeakPolarHBondContact CB-O 3.08Å |
| 91 | S | 91.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 173.1 | -62.6 | 0 | 0 | 0 | 0 | 112 | T87 R88 E89 Q93 Y95 V133 A134 | T87-S91 PolarHBondContact O-N 3.39Å; T87-S91 PolarHBondContact O-OG 3.2Å; R88-S91 PolarHBondContact O-N 3.13Å; E89-S91 VanDerWaalsContact C-N 3.34Å; S91-Q93 PolarHBondContact O-N 2.93Å; S91-Y95 WeakPolarHBondContact O-CB 3.36Å; S91-Y95 PolarHBondContact O-N 3.17Å; S91-V133 VanDerWaalsContact O-CG1 3.31Å; S91-V133 WeakPolarHBondContact O-CG1 3.48Å; S91-A134 PolarHBondContact OG-O 3.18Å |
| 92 | M | 88.9 | Confident | 92.7 | Very high | 16 Ų | 16 | 22.3 Ų | 22.3 | 8% | 0.079 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 177.5 | -72.4 | 162.5 | 54.8 | 0 | 0 | 112.8 | R88 E89 L90 Y95 G96 L111 I113 T292 F296 | R88-M92 WeakPolarHBondContact O-CG 3.35Å; R88-M92 PolarHBondContact O-N 3.43Å; E89-M92 WeakPolarHBondContact O-CB 3.19Å; E89-M92 PolarHBondContact O-N 3.02Å; L90-M92 VanDerWaalsContact C-N 3.3Å; L90-M92 PolarHBondContact O-N 2.82Å; M92-Y95 PolarHBondContact O-N 3.25Å; M92-G96 PolarHBondContact O-N 3.42Å; M92-L111 HydrophobicContact CB-CD2 4.44Å; M92-L111 HydrophobicContact CG-CD2 3.68Å; M92-I113 HydrophobicContact CG-CD1 4Å; M92-I113 HydrophobicContact SD-CD1 4.02Å; M92-T292 HydrophobicContact CE-CG2 3.27Å; M92-T292 VanDerWaalsContact CE-OG1 3.32Å; M92-T292 WeakPolarHBondContact CE-OG1 3.31Å; M92-T292 HydrophobicContact SD-CG2 4.39Å; M92-T292 PolarHBondContact SD-OG1 3.44Å; M92-F296 HydrophobicContact CE-CD2 4.19Å; M92-F296 HydrophobicContact CE-CE2 3.27Å; M92-F296 HydrophobicContact CE-CZ 3.73Å |
| 93 | Q | 86 | Confident | 92.6 | Very high | 27 Ų | 27 | 25.3 Ų | 25.3 | 13% | 0.126 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.9 | -49.4 | 177.4 | -69.9 | 165.3 | 2.5 | 0 | 0 | 111.5 | E89 L90 S91 Y95 G96 V97 F295 G315 D317 | E89-Q93 VanDerWaalsContact O-CG 3.32Å; E89-Q93 WeakPolarHBondContact O-CG 3.35Å; E89-Q93 PolarHBondContact O-N 2.9Å; L90-Q93 PolarHBondContact O-N 3.46Å; S91-Q93 PolarHBondContact O-N 2.93Å; Q93-Y95 PolarHBondContact O-N 2.81Å; Q93-G96 WeakPolarHBondContact O-CA 3.5Å; Q93-G96 PolarHBondContact O-N 2.9Å; Q93-V97 PolarHBondContact O-N 2.98Å; Q93-F295 HydrophobicContact CG-CE1 4.2Å; Q93-F295 HydrophobicContact CG-CZ 4.15Å; Q93-G315 PolarHBondContact OE1-O 3.44Å; Q93-D317 HydrophobicContact CG-CB 4.36Å; Q93-D317 PolarHBondContact NE2-O 2.96Å; Q93-D317 VanDerWaalsContact NE2-O 3.08Å |
| 94 | T | 93 | Very high | 92.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.8 | -39 | 174.4 | -61.5 | 0 | 0 | 0 | 0 | 111 | T57 F60 I83 L90 V97 L98 V133 | T57-T94 HydrophobicContact CG2-CG2 4.21Å; F60-T94 HydrophobicContact CE2-CG2 4.09Å; F60-T94 HydrophobicContact CZ-CG2 4.2Å; I83-T94 HydrophobicContact CG2-CG2 4.01Å; L90-T94 PolarHBondContact O-N 3.24Å; L90-T94 PolarHBondContact O-OG1 3.28Å; T94-V97 PolarHBondContact O-N 3.45Å; T94-L98 WeakPolarHBondContact O-CB 3.45Å; T94-L98 PolarHBondContact O-N 3.35Å; T94-V133 HydrophobicContact CG2-CG1 4.19Å; T94-V133 HydrophobicContact CG2-CG2 4.33Å |
| 95 | Y | 95.9 | Very high | 92.4 | Very high | 55 Ų | 55 | 31.3 Ų | 31.3 | 22% | 0.216 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | 174.5 | -176 | -99.4 | 0 | 0 | 0 | 113.4 | S91 M92 Q93 L98 N99 H109 G110 L111 V133 | S91-Y95 WeakPolarHBondContact O-CB 3.36Å; S91-Y95 PolarHBondContact O-N 3.17Å; M92-Y95 PolarHBondContact O-N 3.25Å; Q93-Y95 PolarHBondContact O-N 2.81Å; Y95-L98 HydrophobicContact CD2-CD2 4.33Å; Y95-L98 PolarHBondContact O-N 3.26Å; Y95-N99 WeakPolarHBondContact O-CB 3.46Å; Y95-N99 PolarHBondContact O-N 3.33Å; Y95-H109 HydrophobicContact CE2-CB 4.48Å; Y95-H109 AromaticContact CE2-ND1 3.52Å; Y95-H109 AromaticContact CZ-ND1 3.46Å; Y95-H109 PolarHBondContact OH-CE1 3.48Å; Y95-H109 PolarHBondContact OH-ND1 3.18Å; Y95-G110 WeakPolarHBondContact CE2-O 3.34Å; Y95-L111 HydrophobicContact CD1-CB 4.24Å; Y95-L111 HydrophobicContact CD1-CD2 4.38Å; Y95-L111 HydrophobicContact CD2-CB 3.82Å; Y95-L111 HydrophobicContact CE1-CB 4.48Å; Y95-L111 HydrophobicContact CE2-CB 4.08Å; Y95-L111 HydrophobicContact CG-CB 3.9Å; Y95-L111 HydrophobicContact CG-CD2 4.39Å; Y95-V133 HydrophobicContact CD2-CB 4.36Å; Y95-V133 HydrophobicContact CD2-CG2 4.07Å |
| 96 | G | 93.4 | Very high | 92.5 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 28% | 0.278 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.2 | -50.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | M92 Q93 L98 N99 E100 | M92-G96 PolarHBondContact O-N 3.42Å; Q93-G96 WeakPolarHBondContact O-CA 3.5Å; Q93-G96 PolarHBondContact O-N 2.9Å; G96-L98 VanDerWaalsContact C-N 3.32Å; G96-L98 PolarHBondContact O-N 2.92Å; G96-N99 WeakPolarHBondContact O-CB 3.28Å; G96-N99 PolarHBondContact O-N 3.27Å; G96-N99 VanDerWaalsContact O-N 3.15Å; G96-E100 PolarHBondContact O-N 3.2Å; G96-E100 VanDerWaalsContact O-N 3.07Å |
| 97 | V | 94.2 | Very high | 92.9 | Very high | 38 Ų | 38 | 37.8 Ų | 37.8 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | M24 T57 L58 L61 Q93 T94 E100 L101 | M24-V97 HydrophobicContact CE-CG1 3.87Å; T57-V97 HydrophobicContact CG2-CB 4Å; T57-V97 HydrophobicContact CG2-CG1 3.89Å; T57-V97 HydrophobicContact CG2-CG2 4.2Å; L58-V97 HydrophobicContact CD2-CG1 3.88Å; L58-V97 HydrophobicContact CG-CG1 4.38Å; L61-V97 HydrophobicContact CD1-CB 4.18Å; L61-V97 HydrophobicContact CD1-CG1 3.83Å; Q93-V97 PolarHBondContact O-N 2.98Å; T94-V97 PolarHBondContact O-N 3.45Å; V97-E100 PolarHBondContact O-N 2.8Å; V97-L101 VanDerWaalsContact O-CB 3.31Å; V97-L101 WeakPolarHBondContact O-CB 3.49Å; V97-L101 PolarHBondContact O-N 3.26Å |
| 98 | L | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 174.7 | 175.3 | 67 | 0 | 0 | 0 | 111.6 | L61 V65 T94 Y95 G96 E100 L101 L102 H109 I131 V133 | L61-L98 HydrophobicContact CD1-CB 4.1Å; L61-L98 HydrophobicContact CD2-CD1 4.17Å; V65-L98 HydrophobicContact CG2-CD1 4.28Å; T94-L98 WeakPolarHBondContact O-CB 3.45Å; T94-L98 PolarHBondContact O-N 3.35Å; Y95-L98 HydrophobicContact CD2-CD2 4.33Å; Y95-L98 PolarHBondContact O-N 3.26Å; G96-L98 VanDerWaalsContact C-N 3.32Å; G96-L98 PolarHBondContact O-N 2.92Å; L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 2.85Å; L98-L101 PolarHBondContact O-N 2.63Å; L98-L102 HydrophobicContact CD1-CD1 3.71Å; L98-L102 HydrophobicContact CD1-CD2 4.46Å; L98-L102 HydrophobicContact CD1-CG 3.86Å; L98-L102 HydrophobicContact CD2-CD1 4.49Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.28Å; L98-L102 WeakPolarHBondContact O-CB 3.38Å; L98-L102 VanDerWaalsContact O-CG 3.24Å; L98-L102 WeakPolarHBondContact O-CG 3.12Å; L98-L102 PolarHBondContact O-N 2.8Å; L98-H109 HydrophobicContact CD2-CB 4.2Å; L98-I131 HydrophobicContact CD1-CD1 4.07Å; L98-I131 HydrophobicContact CD1-CG2 3.91Å; L98-I131 HydrophobicContact CD2-CB 4.13Å; L98-I131 HydrophobicContact CD2-CG2 3.51Å; L98-I131 HydrophobicContact CG-CG2 4.37Å; L98-V133 HydrophobicContact CD2-CG2 3.83Å |
| 99 | N | 97.1 | Very high | 94 | Very high | 80 Ų | 80 | 36.9 Ų | 36.9 | 43% | 0.428 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.4 | -41 | -179.3 | -176.6 | 79.2 | 0 | 0 | 0 | 112 | Y95 G96 H109 | Y95-N99 WeakPolarHBondContact O-CB 3.46Å; Y95-N99 PolarHBondContact O-N 3.33Å; G96-N99 WeakPolarHBondContact O-CB 3.28Å; G96-N99 PolarHBondContact O-N 3.27Å; G96-N99 VanDerWaalsContact O-N 3.15Å; N99-H109 PolarHBondContact OD1-CE1 3.25Å |
| 100 | E | 96.2 | Very high | 94.8 | Very high | 102 Ų | 102 | 37 Ų | 37 | 48% | 0.477 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | 174.4 | -69.1 | 176.4 | -125.2 | 0 | 0 | 112 | M24 G96 V97 L98 L102 S103 | M24-E100 HydrophobicContact CE-CB 3.9Å; M24-E100 HydrophobicContact CG-CB 4.12Å; M24-E100 HydrophobicContact SD-CB 4.02Å; G96-E100 PolarHBondContact O-N 3.2Å; G96-E100 VanDerWaalsContact O-N 3.07Å; V97-E100 PolarHBondContact O-N 2.8Å; L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 2.85Å; E100-L102 PolarHBondContact O-N 3.06Å; E100-S103 VanDerWaalsContact O-CB 3.24Å; E100-S103 WeakPolarHBondContact O-CB 3.42Å; E100-S103 PolarHBondContact O-N 2.99Å; E100-S103 VanDerWaalsContact O-N 3.17Å; E100-S103 PolarHBondContact O-OG 3Å |
| 101 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -30.5 | 178.9 | -170.9 | 65.9 | 0 | 0 | 0 | 112.7 | T17 A20 V21 M24 L58 L61 I62 V65 V97 L98 S103 | T17-L101 HydrophobicContact CG2-CD1 3.91Å; T17-L101 HydrophobicContact CG2-CG 4.42Å; A20-L101 HydrophobicContact CB-CD1 4.36Å; A20-L101 VanDerWaalsContact CB-O 3.29Å; A20-L101 WeakPolarHBondContact CB-O 3.21Å; V21-L101 HydrophobicContact CG2-CD1 3.62Å; M24-L101 HydrophobicContact SD-CD1 4.5Å; L58-L101 HydrophobicContact CD2-CD1 4.29Å; L58-L101 HydrophobicContact CD2-CD2 4.42Å; L61-L101 HydrophobicContact CB-CD2 3.66Å; I62-L101 HydrophobicContact CG1-CD1 4.31Å; I62-L101 HydrophobicContact CG1-CD2 4.26Å; V65-L101 HydrophobicContact CG2-CD2 3.99Å; V97-L101 VanDerWaalsContact O-CB 3.31Å; V97-L101 WeakPolarHBondContact O-CB 3.49Å; V97-L101 PolarHBondContact O-N 3.26Å; L98-L101 PolarHBondContact O-N 2.63Å; L101-S103 VanDerWaalsContact C-N 3.32Å |
| 102 | L | 97.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 4.1 | 178.9 | -68.4 | -177.8 | 0 | 0 | 0 | 114.2 | V65 L98 E100 Y104 H105 F107 H109 I131 | V65-L102 HydrophobicContact CG1-CD2 3.89Å; V65-L102 HydrophobicContact CG2-CD2 3.74Å; L98-L102 HydrophobicContact CD1-CD1 3.71Å; L98-L102 HydrophobicContact CD1-CD2 4.46Å; L98-L102 HydrophobicContact CD1-CG 3.86Å; L98-L102 HydrophobicContact CD2-CD1 4.49Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.28Å; L98-L102 WeakPolarHBondContact O-CB 3.38Å; L98-L102 VanDerWaalsContact O-CG 3.24Å; L98-L102 WeakPolarHBondContact O-CG 3.12Å; L98-L102 PolarHBondContact O-N 2.8Å; E100-L102 PolarHBondContact O-N 3.06Å; L102-Y104 PolarHBondContact O-N 3.44Å; L102-H105 HydrophobicContact CD2-CB 3.95Å; L102-H105 PolarHBondContact O-N 2.81Å; L102-F107 HydrophobicContact CD1-CB 4.47Å; L102-F107 HydrophobicContact CD2-CB 4.44Å; L102-F107 HydrophobicContact CD2-CD2 3.8Å; L102-H109 HydrophobicContact CD1-CB 3.86Å; L102-H109 WeakPolarHBondContact CD1-CD2 3.38Å; L102-I131 HydrophobicContact CD1-CD1 4.16Å; L102-I131 HydrophobicContact CD2-CD1 4.14Å |
| 103 | S | 96.4 | Very high | 95.9 | Very high | 63 Ų | 63 | 38.5 Ų | 38.5 | 44% | 0.441 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -23.3 | -176.1 | 50.7 | 0 | 0 | 0 | 0 | 115.5 | E100 L101 | E100-S103 VanDerWaalsContact O-CB 3.24Å; E100-S103 WeakPolarHBondContact O-CB 3.42Å; E100-S103 PolarHBondContact O-N 2.99Å; E100-S103 VanDerWaalsContact O-N 3.17Å; E100-S103 PolarHBondContact O-OG 3Å; L101-S103 VanDerWaalsContact C-N 3.32Å |
| 104 | Y | 96.9 | Very high | 96 | Very high | 98 Ų | 98 | 37.9 Ų | 37.9 | 38% | 0.384 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 13.4 | 176.4 | -61 | -77.8 | 0 | 0 | 0 | 113.8 | K19 A20 L23 L102 | K19-Y104 HydrophobicContact CB-CD2 4.11Å; K19-Y104 HydrophobicContact CB-CE2 4.15Å; K19-Y104 HydrophobicContact CD-CD1 3.96Å; K19-Y104 HydrophobicContact CD-CD2 4.07Å; K19-Y104 HydrophobicContact CD-CE1 3.68Å; K19-Y104 HydrophobicContact CD-CE2 3.81Å; K19-Y104 HydrophobicContact CD-CG 4.15Å; K19-Y104 VanDerWaalsContact CE-CE1 3.46Å; K19-Y104 VanDerWaalsContact CE-CZ 3.42Å; K19-Y104 WeakPolarHBondContact CE-OH 3.36Å; K19-Y104 HydrophobicContact CG-CD2 4.05Å; K19-Y104 HydrophobicContact CG-CE1 4.42Å; K19-Y104 HydrophobicContact CG-CE2 3.64Å; A20-Y104 HydrophobicContact CB-CD2 4.06Å; A20-Y104 HydrophobicContact CB-CE2 4.49Å; L23-Y104 HydrophobicContact CD2-CE2 4.5Å; L102-Y104 PolarHBondContact O-N 3.44Å |
| 105 | H | 96.9 | Very high | 95.6 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | trans | -115 | 155 | 178.1 | -72.7 | -81.7 | 0 | 0 | 0 | 111.1 | T17 Y69 L102 F107 | T17-H105 PolarHBondContact OG1-NE2 2.84Å; Y69-H105 AromaticContact CD2-CE1 3.83Å; Y69-H105 AromaticContact CD2-ND1 3.87Å; L102-H105 HydrophobicContact CD2-CB 3.95Å; L102-H105 PolarHBondContact O-N 2.81Å; H105-F107 HydrophobicContact CB-CD2 3.78Å; H105-F107 HydrophobicContact CB-CE2 4.16Å; H105-F107 AromaticContact ND1-CE2 3.61Å | ||
| 106 | S | 94.4 | Very high | 95.1 | Very high | 122 Ų | 122 | 39.8 Ų | 39.8 | 85% | 0.853 | 25% | 0.246 | S | C | * | . | trans | -99.4 | 14.9 | 178 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | S108 | S106-S108 PolarHBondContact O-N 2.85Š| ||
| 107 | F | 97.7 | Very high | 94.9 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | trans | -67.4 | 130.5 | 179.7 | -64.7 | -52.6 | 0 | 0 | 0 | 111.5 | V65 L68 F73 L102 H105 H109 C130 I131 | V65-F107 HydrophobicContact CG1-CD2 4.48Å; V65-F107 HydrophobicContact CG1-CE2 4.16Å; L68-F107 HydrophobicContact CB-CE1 4.02Å; L68-F107 HydrophobicContact CB-CE2 4.37Å; L68-F107 HydrophobicContact CB-CZ 3.88Å; F73-F107 HydrophobicContact CB-CE1 4.32Å; F73-F107 VanDerWaalsContact O-CE1 3.32Å; F73-F107 WeakPolarHBondContact O-CE1 3.3Å; L102-F107 HydrophobicContact CD1-CB 4.47Å; L102-F107 HydrophobicContact CD2-CB 4.44Å; L102-F107 HydrophobicContact CD2-CD2 3.8Å; H105-F107 HydrophobicContact CB-CD2 3.78Å; H105-F107 HydrophobicContact CB-CE2 4.16Å; H105-F107 AromaticContact ND1-CE2 3.61Å; F107-H109 PolarHBondContact O-CD2 2.9Å; F107-C130 HydrophobicContact CB-CB 4.22Å; F107-C130 HydrophobicContact CD1-CB 4.29Å; F107-I131 HydrophobicContact CD2-CD1 4.44Å | ||
| 108 | S | 97.7 | Very high | 95 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | trans | -67.2 | 136 | 163.9 | 62.4 | 0 | 0 | 0 | 0 | 109.8 | S106 G128 V129 C130 I131 | S106-S108 PolarHBondContact O-N 2.85Å; S108-G128 PolarHBondContact OG-O 3.28Å; S108-V129 WeakPolarHBondContact OG-CA 3.41Å; S108-C130 WeakPolarHBondContact O-CA 3.44Å; S108-C130 WeakPolarHBondContact O-CB 3.38Å; S108-C130 PolarHBondContact O-N 2.82Å; S108-C130 PolarHBondContact OG-N 3.43Å; S108-C130 PolarHBondContact OG-SG 3.02Å; S108-I131 PolarHBondContact O-N 3.07Å; S108-I131 VanDerWaalsContact O-N 3.13Å | ||
| 109 | H | 98.2 | Very high | 94.8 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.2 | 178.9 | 56.1 | 81.2 | 0 | 0 | 0 | 111.3 | Y95 L98 N99 L102 F107 I131 | Y95-H109 HydrophobicContact CE2-CB 4.48Å; Y95-H109 AromaticContact CE2-ND1 3.52Å; Y95-H109 AromaticContact CZ-ND1 3.46Å; Y95-H109 PolarHBondContact OH-CE1 3.48Å; Y95-H109 PolarHBondContact OH-ND1 3.18Å; L98-H109 HydrophobicContact CD2-CB 4.2Å; N99-H109 PolarHBondContact OD1-CE1 3.25Å; L102-H109 HydrophobicContact CD1-CB 3.86Å; L102-H109 WeakPolarHBondContact CD1-CD2 3.38Å; F107-H109 PolarHBondContact O-CD2 2.9Å; H109-I131 CarbonylContact C-O 3.55Å; H109-I131 WeakPolarHBondContact CA-O 3.49Å; H109-I131 HydrophobicContact CB-CB 4.36Å; H109-I131 WeakPolarHBondContact CB-O 3.46Å |
| 110 | G | 97.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 163.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y95 V129 I131 V133 | Y95-G110 WeakPolarHBondContact CE2-O 3.34Å; G110-V129 VanDerWaalsContact N-CG1 3.31Å; G110-I131 PolarHBondContact N-O 3.13Å; G110-V133 PolarHBondContact O-N 2.93Å |
| 111 | L | 97.6 | Very high | 94.7 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.5 | 176.9 | 175.4 | 65.8 | 0 | 0 | 0 | 108.3 | M92 Y95 I113 V133 | M92-L111 HydrophobicContact CB-CD2 4.44Å; M92-L111 HydrophobicContact CG-CD2 3.68Å; Y95-L111 HydrophobicContact CD1-CB 4.24Å; Y95-L111 HydrophobicContact CD1-CD2 4.38Å; Y95-L111 HydrophobicContact CD2-CB 3.82Å; Y95-L111 HydrophobicContact CE1-CB 4.48Å; Y95-L111 HydrophobicContact CE2-CB 4.08Å; Y95-L111 HydrophobicContact CG-CB 3.9Å; Y95-L111 HydrophobicContact CG-CD2 4.39Å; L111-I113 HydrophobicContact CD1-CG2 3.69Å; L111-I113 HydrophobicContact CD2-CD1 4.19Å; L111-I113 HydrophobicContact CG-CG1 4.4Å; L111-I113 HydrophobicContact CG-CG2 4.11Å; L111-V133 CarbonylContact C-O 3.58Å; L111-V133 VanDerWaalsContact CA-O 3.31Å; L111-V133 WeakPolarHBondContact CA-O 3.29Å; L111-V133 HydrophobicContact CD1-CB 4.07Å; L111-V133 HydrophobicContact CD1-CG1 4.2Å |
| 112 | V | 97.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 112.3 | 175.2 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | E121 L125 L132 V133 A134 T135 R138 | V112-E121 WeakPolarHBondContact CA-OE1 3.18Å; V112-E121 HydrophobicContact CG1-CB 3.95Å; V112-E121 HydrophobicContact CG1-CG 3.97Å; V112-L125 HydrophobicContact CG1-CD1 4.29Å; V112-L125 HydrophobicContact CG1-CD2 4.46Å; V112-L132 HydrophobicContact CB-CD1 4.4Å; V112-L132 HydrophobicContact CG1-CD1 3.87Å; V112-L132 HydrophobicContact CG2-CD1 3.83Å; V112-L132 HydrophobicContact CG2-CD2 4.04Å; V112-L132 HydrophobicContact CG2-CG 4.1Å; V112-V133 PolarHBondContact N-O 3.46Å; V112-A134 HydrophobicContact CG2-CB 3.45Å; V112-A134 VanDerWaalsContact CG2-CB 3.45Å; V112-A134 VanDerWaalsContact O-CA 3.3Å; V112-A134 WeakPolarHBondContact O-CA 3.49Å; V112-T135 PolarHBondContact O-N 3.02Å; V112-R138 HydrophobicContact CB-CG 3.97Å; V112-R138 HydrophobicContact CG2-CG 4.45Å |
| 113 | I | 94.2 | Very high | 94.7 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | trans | -137.6 | 153.5 | -173 | 56.2 | 169.9 | 0 | 0 | 0 | 112.5 | R88 M92 L111 A116 E121 T135 R138 | R88-I113 HydrophobicContact CB-CB 4.33Å; R88-I113 HydrophobicContact CB-CD1 4.09Å; R88-I113 HydrophobicContact CG-CB 4.15Å; M92-I113 HydrophobicContact CG-CD1 4Å; M92-I113 HydrophobicContact SD-CD1 4.02Å; L111-I113 HydrophobicContact CD1-CG2 3.69Å; L111-I113 HydrophobicContact CD2-CD1 4.19Å; L111-I113 HydrophobicContact CG-CG1 4.4Å; L111-I113 HydrophobicContact CG-CG2 4.11Å; I113-A116 HydrophobicContact CG1-CB 4.19Å; I113-A116 PolarHBondContact O-N 3.17Å; I113-E121 PolarHBondContact N-OE1 3.43Å; I113-E121 VanDerWaalsContact N-OE1 3.11Å; I113-T135 HydrophobicContact CB-CG2 4.47Å; I113-T135 HydrophobicContact CG2-CG2 3.91Å; I113-R138 PolarHBondContact O-NE 2.95Å | ||
| 114 | G | 87.9 | Confident | 94.7 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 142.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R88 A116 | R88-G114 WeakPolarHBondContact CD-O 3.49Å; R88-G114 PolarHBondContact NE-O 3.43Å; G114-A116 VanDerWaalsContact C-N 3.28Å; G114-A116 PolarHBondContact O-N 2.97Å |
| 115 | G | 84.1 | Confident | 94.8 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -6.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 116 | A | 85.3 | Confident | 94.8 | Very high | 39 Ų | 39 | 52 Ų | 52 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -85.6 | 169.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I113 G114 R118 E121 R138 | I113-A116 HydrophobicContact CG1-CB 4.19Å; I113-A116 PolarHBondContact O-N 3.17Å; G114-A116 VanDerWaalsContact C-N 3.28Å; G114-A116 PolarHBondContact O-N 2.97Å; A116-R118 PolarHBondContact O-N 2.9Å; A116-R118 VanDerWaalsContact O-N 3.15Å; A116-E121 WeakPolarHBondContact CB-OE1 3.37Å; A116-R138 PolarHBondContact O-NH2 2.98Å; A116-R138 VanDerWaalsContact O-NH2 3.09Å |
| 117 | N | 90.3 | Very high | 94.9 | Very high | 97 Ų | 97 | 53.9 Ų | 53.9 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | trans | -74 | 103.1 | -178.9 | -172.9 | -35.5 | 0 | 0 | 0 | 111.4 | N119 T120 E121 | N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 3.15Å; N117-N119 WeakPolarHBondContact OD1-CB 3.38Å; N117-N119 PolarHBondContact OD1-N 2.91Å; N117-T120 PolarHBondContact O-N 3.36Å; N117-T120 PolarHBondContact OD1-N 3.05Å; N117-E121 WeakPolarHBondContact O-CG 3.5Å; N117-E121 PolarHBondContact O-N 3.11Å; N117-E121 VanDerWaalsContact O-N 3.1Å | ||
| 118 | R | 95 | Very high | 94.9 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.9 | -36.2 | -180 | -171.4 | -172.3 | 178.5 | -83.4 | -1 | 114 | A116 E121 A122 D141 | A116-R118 PolarHBondContact O-N 2.9Å; A116-R118 VanDerWaalsContact O-N 3.15Å; R118-E121 WeakPolarHBondContact CA-OE2 3.4Å; R118-E121 PolarHBondContact O-N 3.23Å; R118-A122 WeakPolarHBondContact O-CB 3.44Å; R118-A122 PolarHBondContact O-N 2.94Å; R118-D141 WeakPolarHBondContact CD-OD2 3.49Å; R118-D141 IonicContact CZ-OD1 3.73Å; R118-D141 IonicContact CZ-OD2 3.81Å; R118-D141 IonicContact NE-OD1 2.74Å; R118-D141 PolarHBondContact NE-OD1 3.26Å; R118-D141 IonicContact NE-OD2 3.48Å; R118-D141 PolarHBondContact NE-OD2 2.95Å; R118-D141 IonicContact NH2-OD1 2.85Å; R118-D141 PolarHBondContact NH2-OD1 3.09Å; R118-D141 IonicContact NH2-OD2 3.82Å |
| 119 | N | 95.3 | Very high | 94.9 | Very high | 105 Ų | 105 | 52.5 Ų | 52.5 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.7 | -40.8 | -177.2 | -67.9 | -16.1 | 0 | 0 | 0 | 110.8 | N117 A122 Q123 | N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 3.15Å; N117-N119 WeakPolarHBondContact OD1-CB 3.38Å; N117-N119 PolarHBondContact OD1-N 2.91Å; N119-A122 PolarHBondContact O-N 3.1Å; N119-Q123 WeakPolarHBondContact O-CG 3.45Å; N119-Q123 PolarHBondContact O-N 3.27Å |
| 120 | T | 94.5 | Very high | 94.9 | Very high | 62 Ų | 62 | 50 Ų | 50 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 173.8 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | N117 K124 | N117-T120 PolarHBondContact O-N 3.36Å; N117-T120 PolarHBondContact OD1-N 3.05Å; T120-K124 WeakPolarHBondContact O-CG 3.43Å; T120-K124 PolarHBondContact O-N 3.36Å |
| 121 | E | 96.6 | Very high | 95 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -50.6 | 173.7 | -68.7 | 170.7 | 148.1 | 0 | 0 | 110.8 | V112 I113 A116 N117 R118 Q123 K124 L125 R138 H142 | V112-E121 WeakPolarHBondContact CA-OE1 3.18Å; V112-E121 HydrophobicContact CG1-CB 3.95Å; V112-E121 HydrophobicContact CG1-CG 3.97Å; I113-E121 PolarHBondContact N-OE1 3.43Å; I113-E121 VanDerWaalsContact N-OE1 3.11Å; A116-E121 WeakPolarHBondContact CB-OE1 3.37Å; N117-E121 WeakPolarHBondContact O-CG 3.5Å; N117-E121 PolarHBondContact O-N 3.11Å; N117-E121 VanDerWaalsContact O-N 3.1Å; R118-E121 WeakPolarHBondContact CA-OE2 3.4Å; R118-E121 PolarHBondContact O-N 3.23Å; E121-Q123 PolarHBondContact O-N 2.95Å; E121-K124 PolarHBondContact O-N 2.88Å; E121-K124 VanDerWaalsContact O-N 3.13Å; E121-L125 WeakPolarHBondContact O-CG 3.38Å; E121-L125 PolarHBondContact O-N 3.24Å; E121-R138 IonicContact OE2-CZ 3.41Å; E121-R138 IonicContact OE2-NE 2.81Å; E121-R138 PolarHBondContact OE2-NE 3.48Å; E121-H142 WeakPolarHBondContact CB-NE2 3.38Å; E121-H142 IonicContact OE2-NE2 3.21Å; E121-H142 PolarHBondContact OE2-NE2 2.99Å |
| 122 | A | 97.3 | Very high | 95 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R118 N119 K124 L125 V126 T146 | R118-A122 WeakPolarHBondContact O-CB 3.44Å; R118-A122 PolarHBondContact O-N 2.94Å; N119-A122 PolarHBondContact O-N 3.1Å; A122-K124 VanDerWaalsContact C-N 3.32Å; A122-K124 PolarHBondContact O-N 3.34Å; A122-L125 PolarHBondContact O-N 2.81Å; A122-V126 VanDerWaalsContact O-CG2 3.29Å; A122-V126 WeakPolarHBondContact O-CG2 3.36Å; A122-V126 PolarHBondContact O-N 2.93Å; A122-T146 HydrophobicContact CB-CG2 3.8Å |
| 123 | Q | 96.8 | Very high | 95.1 | Very high | 130 Ų | 130 | 47.6 Ų | 47.6 | 61% | 0.607 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.5 | -40.5 | 177 | -73.4 | 173.8 | -4.9 | 0 | 0 | 112.5 | N119 E121 K127 | N119-Q123 WeakPolarHBondContact O-CG 3.45Å; N119-Q123 PolarHBondContact O-N 3.27Å; E121-Q123 PolarHBondContact O-N 2.95Å; Q123-K127 WeakPolarHBondContact O-CG 3.41Å; Q123-K127 PolarHBondContact O-N 2.94Å |
| 124 | K | 96.7 | Very high | 95.3 | Very high | 128 Ų | 128 | 47 Ų | 47 | 56% | 0.557 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.2 | -45.7 | 175.8 | -71.9 | 179.8 | 179 | -174.8 | 0 | 111.4 | T120 E121 A122 V126 K127 G128 V129 | T120-K124 WeakPolarHBondContact O-CG 3.43Å; T120-K124 PolarHBondContact O-N 3.36Å; E121-K124 PolarHBondContact O-N 2.88Å; E121-K124 VanDerWaalsContact O-N 3.13Å; A122-K124 VanDerWaalsContact C-N 3.32Å; A122-K124 PolarHBondContact O-N 3.34Å; K124-V126 VanDerWaalsContact C-N 3.32Å; K124-V126 PolarHBondContact O-N 2.83Å; K124-K127 WeakPolarHBondContact O-CB 3.49Å; K124-K127 PolarHBondContact O-N 3.2Å; K124-G128 PolarHBondContact O-N 3.02Å; K124-V129 HydrophobicContact CB-CG2 4.36Å |
| 125 | L | 98.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -40 | 179.3 | -69.1 | 175.4 | 0 | 0 | 0 | 112.4 | V112 E121 A122 G128 V129 L132 H142 F149 | V112-L125 HydrophobicContact CG1-CD1 4.29Å; V112-L125 HydrophobicContact CG1-CD2 4.46Å; E121-L125 WeakPolarHBondContact O-CG 3.38Å; E121-L125 PolarHBondContact O-N 3.24Å; A122-L125 PolarHBondContact O-N 2.81Å; L125-G128 PolarHBondContact O-N 3.34Å; L125-G128 VanDerWaalsContact O-N 3.14Å; L125-V129 HydrophobicContact CD2-CB 4.33Å; L125-V129 HydrophobicContact CD2-CG2 4.24Å; L125-L132 HydrophobicContact CD2-CD1 3.92Å; L125-L132 HydrophobicContact CD2-CD2 3.94Å; L125-H142 HydrophobicContact CD1-CB 3.68Å; L125-H142 WeakPolarHBondContact CD1-ND1 3.24Å; L125-F149 HydrophobicContact CB-CD2 3.84Å; L125-F149 HydrophobicContact CB-CE2 4.27Å; L125-F149 HydrophobicContact CB-CG 4.22Å; L125-F149 HydrophobicContact CD1-CD1 4.37Å; L125-F149 HydrophobicContact CD1-CE1 4.4Å; L125-F149 HydrophobicContact CD1-CG 4.43Å; L125-F149 HydrophobicContact CD2-CD2 4.18Å; L125-F149 HydrophobicContact CD2-CE2 3.72Å; L125-F149 HydrophobicContact CD2-CZ 4Å; L125-F149 HydrophobicContact CG-CD2 4.39Å; L125-F149 HydrophobicContact CG-CE2 4.4Å |
| 126 | V | 97.5 | Very high | 96.3 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 44% | 0.442 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.1 | -35.5 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 112 | A122 K124 G128 T146 K147 | A122-V126 VanDerWaalsContact O-CG2 3.29Å; A122-V126 WeakPolarHBondContact O-CG2 3.36Å; A122-V126 PolarHBondContact O-N 2.93Å; K124-V126 VanDerWaalsContact C-N 3.32Å; K124-V126 PolarHBondContact O-N 2.83Å; V126-G128 PolarHBondContact O-N 2.8Å; V126-T146 HydrophobicContact CG2-CG2 3.98Å; V126-K147 WeakPolarHBondContact CG2-O 3.47Å |
| 127 | K | 96.9 | Very high | 96.9 | Very high | 162 Ų | 162 | 43.7 Ų | 43.7 | 70% | 0.704 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67 | -20 | 172.9 | -73.5 | 179.6 | 178.5 | -173.5 | 0 | 113.1 | Q75 Q123 K124 | Q75-K127 PolarHBondContact NE2-O 3.37Å; Q123-K127 WeakPolarHBondContact O-CG 3.41Å; Q123-K127 PolarHBondContact O-N 2.94Å; K124-K127 WeakPolarHBondContact O-CB 3.49Å; K124-K127 PolarHBondContact O-N 3.2Å |
| 128 | G | 97.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | trans | 102 | 127.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q75 S108 K124 L125 V126 | Q75-G128 WeakPolarHBondContact CG-O 3.47Å; Q75-G128 PolarHBondContact NE2-O 3.37Å; S108-G128 PolarHBondContact OG-O 3.28Å; K124-G128 PolarHBondContact O-N 3.02Å; L125-G128 PolarHBondContact O-N 3.34Å; L125-G128 VanDerWaalsContact O-N 3.14Å; V126-G128 PolarHBondContact O-N 2.8Å | ||
| 129 | V | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | trans | -133.8 | 105.7 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 107.4 | G78 T79 S108 G110 K124 L125 I131 L132 | G78-V129 CarbonylContact C-O 3.57Å; G78-V129 CarbonylContact O-C 3.53Å; G78-V129 VanDerWaalsContact O-O 3.04Å; T79-V129 WeakPolarHBondContact CA-O 3.42Å; T79-V129 VanDerWaalsContact CB-O 3.28Å; T79-V129 WeakPolarHBondContact CB-O 3.34Å; T79-V129 PolarHBondContact OG1-O 3.18Å; S108-V129 WeakPolarHBondContact OG-CA 3.41Å; G110-V129 VanDerWaalsContact N-CG1 3.31Å; K124-V129 HydrophobicContact CB-CG2 4.36Å; L125-V129 HydrophobicContact CD2-CB 4.33Å; L125-V129 HydrophobicContact CD2-CG2 4.24Å; V129-I131 WeakPolarHBondContact CG1-O 3.44Å; V129-L132 HydrophobicContact CG1-CB 4.31Å; V129-L132 HydrophobicContact CG1-CD1 4.21Å | ||
| 130 | C | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -62.4 | -45.4 | -175.5 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | L68 F73 G78 G80 C81 F107 S108 | L68-C130 HydrophobicContact CD1-CB 4.4Å; F73-C130 HydrophobicContact CD1-CB 3.98Å; F73-C130 HydrophobicContact CE1-CB 4.21Å; G78-C130 VanDerWaalsContact O-CA 3.27Å; G78-C130 WeakPolarHBondContact O-CA 3.49Å; G78-C130 PolarHBondContact O-N 3.13Å; G80-C130 PolarHBondContact N-O 3.27Å; C81-C130 PolarHBondContact N-O 3.02Å; F107-C130 HydrophobicContact CB-CB 4.22Å; F107-C130 HydrophobicContact CD1-CB 4.29Å; S108-C130 WeakPolarHBondContact O-CA 3.44Å; S108-C130 WeakPolarHBondContact O-CB 3.38Å; S108-C130 PolarHBondContact O-N 2.82Å; S108-C130 PolarHBondContact OG-N 3.43Å; S108-C130 PolarHBondContact OG-SG 3.02Å |
| 131 | I | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.4 | -179 | -52.8 | 176.7 | 0 | 0 | 0 | 109.9 | V65 L68 C81 I83 L98 L102 F107 S108 H109 G110 V129 | V65-I131 HydrophobicContact CG2-CD1 3.98Å; L68-I131 HydrophobicContact CD1-CD1 4.02Å; L68-I131 HydrophobicContact CD1-CG1 3.52Å; C81-I131 HydrophobicContact CB-CG1 4.27Å; C81-I131 HydrophobicContact CB-CG2 4.2Å; C81-I131 WeakPolarHBondContact O-CA 3.33Å; I83-I131 HydrophobicContact CD1-CG2 3.59Å; L98-I131 HydrophobicContact CD1-CD1 4.07Å; L98-I131 HydrophobicContact CD1-CG2 3.91Å; L98-I131 HydrophobicContact CD2-CB 4.13Å; L98-I131 HydrophobicContact CD2-CG2 3.51Å; L98-I131 HydrophobicContact CG-CG2 4.37Å; L102-I131 HydrophobicContact CD1-CD1 4.16Å; L102-I131 HydrophobicContact CD2-CD1 4.14Å; F107-I131 HydrophobicContact CD2-CD1 4.44Å; S108-I131 PolarHBondContact O-N 3.07Å; S108-I131 VanDerWaalsContact O-N 3.13Å; H109-I131 CarbonylContact C-O 3.55Å; H109-I131 WeakPolarHBondContact CA-O 3.49Å; H109-I131 HydrophobicContact CB-CB 4.36Å; H109-I131 WeakPolarHBondContact CB-O 3.46Å; G110-I131 PolarHBondContact N-O 3.13Å; V129-I131 WeakPolarHBondContact CG1-O 3.44Å |
| 132 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.4 | -174.8 | -176.2 | 64.7 | 0 | 0 | 0 | 110.9 | T79 C81 I82 I83 V112 L125 V129 L139 F149 | T79-L132 HydrophobicContact CG2-CB 3.92Å; C81-L132 PolarHBondContact O-N 3.11Å; I82-L132 CarbonylContact C-O 3.58Å; I82-L132 WeakPolarHBondContact CA-O 3.31Å; I82-L132 HydrophobicContact CG1-CB 4.34Å; I83-L132 PolarHBondContact N-O 3.49Å; V112-L132 HydrophobicContact CB-CD1 4.4Å; V112-L132 HydrophobicContact CG1-CD1 3.87Å; V112-L132 HydrophobicContact CG2-CD1 3.83Å; V112-L132 HydrophobicContact CG2-CD2 4.04Å; V112-L132 HydrophobicContact CG2-CG 4.1Å; L125-L132 HydrophobicContact CD2-CD1 3.92Å; L125-L132 HydrophobicContact CD2-CD2 3.94Å; V129-L132 HydrophobicContact CG1-CB 4.31Å; V129-L132 HydrophobicContact CG1-CD1 4.21Å; L132-L139 HydrophobicContact CD2-CD1 3.89Å; L132-F149 HydrophobicContact CD2-CZ 3.97Å |
| 133 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.9 | 167.9 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | I83 S91 T94 Y95 L98 G110 L111 V112 | I83-V133 HydrophobicContact CB-CG1 4.43Å; I83-V133 HydrophobicContact CB-CG2 4.37Å; I83-V133 HydrophobicContact CD1-CG2 4.16Å; I83-V133 CarbonylContact O-C 3.51Å; I83-V133 WeakPolarHBondContact O-CA 3.37Å; S91-V133 VanDerWaalsContact O-CG1 3.31Å; S91-V133 WeakPolarHBondContact O-CG1 3.48Å; T94-V133 HydrophobicContact CG2-CG1 4.19Å; T94-V133 HydrophobicContact CG2-CG2 4.33Å; Y95-V133 HydrophobicContact CD2-CB 4.36Å; Y95-V133 HydrophobicContact CD2-CG2 4.07Å; L98-V133 HydrophobicContact CD2-CG2 3.83Å; G110-V133 PolarHBondContact O-N 2.93Å; L111-V133 CarbonylContact C-O 3.58Å; L111-V133 VanDerWaalsContact CA-O 3.31Å; L111-V133 WeakPolarHBondContact CA-O 3.29Å; L111-V133 HydrophobicContact CD1-CB 4.07Å; L111-V133 HydrophobicContact CD1-CG1 4.2Å; V112-V133 PolarHBondContact N-O 3.46Å |
| 134 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 156.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I83 I84 S85 S91 V112 L139 | I83-A134 PolarHBondContact O-N 3.18Å; I84-A134 WeakPolarHBondContact CA-O 3.17Å; S85-A134 PolarHBondContact N-O 3.29Å; S91-A134 PolarHBondContact OG-O 3.18Å; V112-A134 HydrophobicContact CG2-CB 3.45Å; V112-A134 VanDerWaalsContact CG2-CB 3.45Å; V112-A134 VanDerWaalsContact O-CA 3.3Å; V112-A134 WeakPolarHBondContact O-CA 3.49Å; A134-L139 HydrophobicContact CB-CB 3.86Å; A134-L139 HydrophobicContact CB-CD1 4.37Å; A134-L139 HydrophobicContact CB-CD2 4.35Å; A134-L139 HydrophobicContact CB-CG 4.42Å |
| 135 | T | 96.3 | Very high | 98 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | trans | -91.5 | 145.5 | 160.7 | 53 | 0 | 0 | 0 | 0 | 110.7 | R88 V112 I113 G137 R138 L139 | R88-T135 HydrophobicContact CG-CG2 4.09Å; V112-T135 PolarHBondContact O-N 3.02Å; I113-T135 HydrophobicContact CB-CG2 4.47Å; I113-T135 HydrophobicContact CG2-CG2 3.91Å; T135-G137 PolarHBondContact O-N 3.44Å; T135-R138 PolarHBondContact O-N 3.39Å; T135-L139 PolarHBondContact O-N 3.46Å | ||
| 136 | P | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -50.6 | -56.4 | -172.3 | -25.1 | 27.5 | 0 | 0 | 0 | 114.2 | I84 S85 R138 L139 L140 I165 F170 D173 M174 I177 | I84-P136 HydrophobicContact CG2-CB 4.38Å; I84-P136 HydrophobicContact CG2-CG 3.66Å; S85-P136 VanDerWaalsContact O-CD 3.3Å; S85-P136 WeakPolarHBondContact O-CD 3.31Å; P136-R138 VanDerWaalsContact C-N 3.33Å; P136-R138 PolarHBondContact O-N 2.92Å; P136-L139 PolarHBondContact O-N 3.11Å; P136-L140 PolarHBondContact O-N 3.14Å; P136-I165 HydrophobicContact CG-CG2 3.86Å; P136-F170 HydrophobicContact CB-CB 3.98Å; P136-F170 HydrophobicContact CB-CD1 4.14Å; P136-F170 HydrophobicContact CB-CD2 4.48Å; P136-F170 HydrophobicContact CB-CG 3.97Å; P136-F170 HydrophobicContact CG-CB 4.06Å; P136-F170 HydrophobicContact CG-CD2 4.05Å; P136-F170 HydrophobicContact CG-CG 4Å; P136-D173 HydrophobicContact CB-CB 4.49Å; P136-M174 HydrophobicContact CB-SD 4.06Å; P136-M174 HydrophobicContact CG-SD 4.07Å; P136-I177 HydrophobicContact CB-CD1 4.06Å; P136-I177 WeakPolarHBondContact O-CD1 3.3Å |
| 137 | G | 96.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.2 | -39 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T135 D141 | T135-G137 PolarHBondContact O-N 3.44Å; G137-D141 PolarHBondContact O-N 2.85Å |
| 138 | R | 97.3 | Very high | 97.9 | Very high | 41 Ų | 41 | 28.5 Ų | 28.5 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.7 | -38.9 | 177.6 | -179.5 | 65.1 | 81.9 | -166.8 | 10.6 | 111.8 | V112 I113 A116 E121 T135 P136 L140 D141 H142 | V112-R138 HydrophobicContact CB-CG 3.97Å; V112-R138 HydrophobicContact CG2-CG 4.45Å; I113-R138 PolarHBondContact O-NE 2.95Å; A116-R138 PolarHBondContact O-NH2 2.98Å; A116-R138 VanDerWaalsContact O-NH2 3.09Å; E121-R138 IonicContact OE2-CZ 3.41Å; E121-R138 IonicContact OE2-NE 2.81Å; E121-R138 PolarHBondContact OE2-NE 3.48Å; T135-R138 PolarHBondContact O-N 3.39Å; P136-R138 VanDerWaalsContact C-N 3.33Å; P136-R138 PolarHBondContact O-N 2.92Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-D141 IonicContact NH1-OD2 3.9Å; R138-D141 PolarHBondContact NH1-OD2 3.28Å; R138-D141 PolarHBondContact O-N 3.09Å; R138-H142 PolarHBondContact O-CD2 3.4Å; R138-H142 PolarHBondContact O-N 2.87Å; R138-H142 VanDerWaalsContact O-N 3.14Å |
| 139 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 175.3 | 178.2 | 59.8 | 0 | 0 | 0 | 111 | I82 I84 L132 A134 T135 P136 D141 H142 L143 I177 | I82-L139 HydrophobicContact CD1-CD1 4.39Å; I82-L139 HydrophobicContact CG2-CD2 3.66Å; I84-L139 HydrophobicContact CD1-CD2 3.61Å; I84-L139 HydrophobicContact CG1-CD2 3.79Å; L132-L139 HydrophobicContact CD2-CD1 3.89Å; A134-L139 HydrophobicContact CB-CB 3.86Å; A134-L139 HydrophobicContact CB-CD1 4.37Å; A134-L139 HydrophobicContact CB-CD2 4.35Å; A134-L139 HydrophobicContact CB-CG 4.42Å; T135-L139 PolarHBondContact O-N 3.46Å; P136-L139 PolarHBondContact O-N 3.11Å; L139-D141 VanDerWaalsContact C-N 3.35Å; L139-D141 PolarHBondContact O-N 3.32Å; L139-H142 PolarHBondContact O-N 3.22Å; L139-H142 VanDerWaalsContact O-N 3.15Å; L139-L143 HydrophobicContact CD1-CD1 4.18Å; L139-L143 HydrophobicContact CD1-CG 4.1Å; L139-L143 HydrophobicContact CD2-CD1 4.44Å; L139-L143 HydrophobicContact CG-CD1 3.86Å; L139-L143 HydrophobicContact CG-CG 4.24Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 3.36Å; L139-I177 HydrophobicContact CB-CD1 4.5Å; L139-I177 HydrophobicContact CD2-CD1 4.3Å; L139-I177 HydrophobicContact CD2-CG2 3.97Å |
| 140 | L | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 180 | -179.1 | 60 | 0 | 0 | 0 | 111.8 | P136 R138 H142 L143 Q144 D173 R176 I177 L180 | P136-L140 PolarHBondContact O-N 3.14Å; R138-L140 VanDerWaalsContact C-N 3.35Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 3.14Å; L140-L143 PolarHBondContact O-N 3.47Å; L140-Q144 HydrophobicContact CD1-CG 3.95Å; L140-Q144 HydrophobicContact CG-CG 4.47Å; L140-Q144 WeakPolarHBondContact O-CG 3.37Å; L140-Q144 PolarHBondContact O-N 3.3Å; L140-D173 HydrophobicContact CD2-CB 4.01Å; L140-D173 WeakPolarHBondContact CD2-OD1 3.42Å; L140-R176 HydrophobicContact CD1-CB 3.76Å; L140-R176 HydrophobicContact CD2-CB 4.04Å; L140-I177 HydrophobicContact CB-CD1 4.2Å; L140-I177 HydrophobicContact CB-CG1 3.87Å; L140-I177 HydrophobicContact CD1-CG1 4.06Å; L140-I177 HydrophobicContact CG-CG1 4.47Å; L140-L180 HydrophobicContact CD1-CD1 3.76Å |
| 141 | D | 98.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.6 | -47.3 | 173.9 | 169.8 | 29.6 | 0 | 0 | 0 | 111.4 | R118 G137 R138 L139 Q144 N145 | R118-D141 WeakPolarHBondContact CD-OD2 3.49Å; R118-D141 IonicContact CZ-OD1 3.73Å; R118-D141 IonicContact CZ-OD2 3.81Å; R118-D141 IonicContact NE-OD1 2.74Å; R118-D141 PolarHBondContact NE-OD1 3.26Å; R118-D141 IonicContact NE-OD2 3.48Å; R118-D141 PolarHBondContact NE-OD2 2.95Å; R118-D141 IonicContact NH2-OD1 2.85Å; R118-D141 PolarHBondContact NH2-OD1 3.09Å; R118-D141 IonicContact NH2-OD2 3.82Å; G137-D141 PolarHBondContact O-N 2.85Å; R138-D141 IonicContact NH1-OD2 3.9Å; R138-D141 PolarHBondContact NH1-OD2 3.28Å; R138-D141 PolarHBondContact O-N 3.09Å; L139-D141 VanDerWaalsContact C-N 3.35Å; L139-D141 PolarHBondContact O-N 3.32Å; D141-Q144 PolarHBondContact O-N 3.29Å; D141-N145 VanDerWaalsContact O-CB 3.23Å; D141-N145 WeakPolarHBondContact O-CB 3.46Å; D141-N145 PolarHBondContact O-N 3.03Å; D141-N145 PolarHBondContact O-ND2 2.89Å; D141-N145 PolarHBondContact OD1-ND2 2.94Å |
| 142 | H | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 177.7 | -78.9 | -62.6 | 0 | 0 | 0 | 113.4 | E121 L125 R138 L139 L140 Q144 T146 F149 | E121-H142 WeakPolarHBondContact CB-NE2 3.38Å; E121-H142 IonicContact OE2-NE2 3.21Å; E121-H142 PolarHBondContact OE2-NE2 2.99Å; L125-H142 HydrophobicContact CD1-CB 3.68Å; L125-H142 WeakPolarHBondContact CD1-ND1 3.24Å; R138-H142 PolarHBondContact O-CD2 3.4Å; R138-H142 PolarHBondContact O-N 2.87Å; R138-H142 VanDerWaalsContact O-N 3.14Å; L139-H142 PolarHBondContact O-N 3.22Å; L139-H142 VanDerWaalsContact O-N 3.15Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 3.14Å; H142-Q144 VanDerWaalsContact C-N 3.25Å; H142-Q144 PolarHBondContact O-N 2.87Å; H142-T146 WeakPolarHBondContact CA-OG1 3.33Å; H142-T146 PolarHBondContact ND1-OG1 2.75Å; H142-T146 VanDerWaalsContact O-CB 3.24Å; H142-T146 WeakPolarHBondContact O-CB 3.22Å; H142-T146 PolarHBondContact O-N 3.31Å; H142-T146 PolarHBondContact O-OG1 3.18Å; H142-F149 HydrophobicContact CB-CD1 4.31Å; H142-F149 HydrophobicContact CB-CE1 4.39Å |
| 143 | L | 98.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -36.3 | 177.6 | -71.3 | 171.4 | 0 | 0 | 0 | 112.2 | L139 L140 F149 Y151 I177 L180 L181 | L139-L143 HydrophobicContact CD1-CD1 4.18Å; L139-L143 HydrophobicContact CD1-CG 4.1Å; L139-L143 HydrophobicContact CD2-CD1 4.44Å; L139-L143 HydrophobicContact CG-CD1 3.86Å; L139-L143 HydrophobicContact CG-CG 4.24Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 3.36Å; L140-L143 PolarHBondContact O-N 3.47Å; L143-F149 HydrophobicContact CD2-CD1 4.2Å; L143-F149 HydrophobicContact CD2-CE1 3.64Å; L143-F149 HydrophobicContact CD2-CZ 4.47Å; L143-F149 HydrophobicContact CG-CE1 4.24Å; L143-Y151 HydrophobicContact CD2-CD1 3.53Å; L143-Y151 HydrophobicContact CD2-CD2 3.82Å; L143-Y151 HydrophobicContact CD2-CE1 3.77Å; L143-Y151 HydrophobicContact CD2-CE2 4.04Å; L143-Y151 HydrophobicContact CD2-CG 3.56Å; L143-I177 HydrophobicContact CD1-CB 4.37Å; L143-I177 HydrophobicContact CD1-CG1 4.18Å; L143-I177 HydrophobicContact CD1-CG2 3.98Å; L143-L180 HydrophobicContact CB-CD1 3.96Å; L143-L181 HydrophobicContact CD1-CD2 4.13Å; L143-L181 HydrophobicContact CD1-CG 4.49Å; L143-L181 HydrophobicContact CD2-CD2 3.81Å |
| 144 | Q | 97.9 | Very high | 97.7 | Very high | 102 Ų | 102 | 44.5 Ų | 44.5 | 48% | 0.477 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -86.8 | -37.3 | -177.9 | -67.5 | -177.5 | -47.8 | 0 | 0 | 113.1 | L140 D141 H142 L180 | L140-Q144 HydrophobicContact CD1-CG 3.95Å; L140-Q144 HydrophobicContact CG-CG 4.47Å; L140-Q144 WeakPolarHBondContact O-CG 3.37Å; L140-Q144 PolarHBondContact O-N 3.3Å; D141-Q144 PolarHBondContact O-N 3.29Å; H142-Q144 VanDerWaalsContact C-N 3.25Å; H142-Q144 PolarHBondContact O-N 2.87Å; Q144-L180 HydrophobicContact CG-CD1 3.83Å |
| 145 | N | 97.7 | Very high | 97.7 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -120.2 | -6.4 | -161.4 | -56.5 | -47.1 | 0 | 0 | 0 | 114.2 | D141 K147 | D141-N145 VanDerWaalsContact O-CB 3.23Å; D141-N145 WeakPolarHBondContact O-CB 3.46Å; D141-N145 PolarHBondContact O-N 3.03Å; D141-N145 PolarHBondContact O-ND2 2.89Å; D141-N145 PolarHBondContact OD1-ND2 2.94Å; N145-K147 PolarHBondContact O-N 3.15Å |
| 146 | T | 97.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | trans | -94.7 | 96.3 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | A122 V126 H142 G148 F149 | A122-T146 HydrophobicContact CB-CG2 3.8Å; V126-T146 HydrophobicContact CG2-CG2 3.98Å; H142-T146 WeakPolarHBondContact CA-OG1 3.33Å; H142-T146 PolarHBondContact ND1-OG1 2.75Å; H142-T146 VanDerWaalsContact O-CB 3.24Å; H142-T146 WeakPolarHBondContact O-CB 3.22Å; H142-T146 PolarHBondContact O-N 3.31Å; H142-T146 PolarHBondContact O-OG1 3.18Å; T146-G148 PolarHBondContact O-N 2.65Å; T146-F149 HydrophobicContact CG2-CB 4Å; T146-F149 VanDerWaalsContact O-CB 3.32Å; T146-F149 WeakPolarHBondContact O-CB 3.28Å; T146-F149 PolarHBondContact O-N 3.38Å; T146-F149 VanDerWaalsContact O-N 3.16Å | ||
| 147 | K | 96.1 | Very high | 97.9 | Very high | 195 Ų | 195 | 47.2 Ų | 47.2 | 85% | 0.848 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 133.2 | 174.5 | -63.5 | -175.1 | -179.1 | -178.8 | 0 | 110 | V126 N145 F149 | V126-K147 WeakPolarHBondContact CG2-O 3.47Å; N145-K147 PolarHBondContact O-N 3.15Å; K147-F149 VanDerWaalsContact C-N 3.33Å |
| 148 | G | 96.7 | Very high | 98 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 52% | 0.515 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 0.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T146 V150 | T146-G148 PolarHBondContact O-N 2.65Å; G148-V150 PolarHBondContact O-N 3.26Å; G148-V150 VanDerWaalsContact O-N 3.16Å |
| 149 | F | 98.2 | Very high | 98 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.057 | 22% | 0.223 | C | C | . | . | trans | -69.6 | 110.1 | 171.2 | 179.7 | -154.7 | 0 | 0 | 0 | 110.5 | T79 L125 L132 H142 L143 T146 K147 Y151 | T79-F149 WeakPolarHBondContact OG1-CE2 3.41Å; L125-F149 HydrophobicContact CB-CD2 3.84Å; L125-F149 HydrophobicContact CB-CE2 4.27Å; L125-F149 HydrophobicContact CB-CG 4.22Å; L125-F149 HydrophobicContact CD1-CD1 4.37Å; L125-F149 HydrophobicContact CD1-CE1 4.4Å; L125-F149 HydrophobicContact CD1-CG 4.43Å; L125-F149 HydrophobicContact CD2-CD2 4.18Å; L125-F149 HydrophobicContact CD2-CE2 3.72Å; L125-F149 HydrophobicContact CD2-CZ 4Å; L125-F149 HydrophobicContact CG-CD2 4.39Å; L125-F149 HydrophobicContact CG-CE2 4.4Å; L132-F149 HydrophobicContact CD2-CZ 3.97Å; H142-F149 HydrophobicContact CB-CD1 4.31Å; H142-F149 HydrophobicContact CB-CE1 4.39Å; L143-F149 HydrophobicContact CD2-CD1 4.2Å; L143-F149 HydrophobicContact CD2-CE1 3.64Å; L143-F149 HydrophobicContact CD2-CZ 4.47Å; L143-F149 HydrophobicContact CG-CE1 4.24Å; T146-F149 HydrophobicContact CG2-CB 4Å; T146-F149 VanDerWaalsContact O-CB 3.32Å; T146-F149 WeakPolarHBondContact O-CB 3.28Å; T146-F149 PolarHBondContact O-N 3.38Å; T146-F149 VanDerWaalsContact O-N 3.16Å; K147-F149 VanDerWaalsContact C-N 3.33Å; F149-Y151 HydrophobicContact CB-CD1 4.49Å; F149-Y151 AromaticContact CD1-CD1 3.68Å; F149-Y151 HydrophobicContact CD1-CD1 3.68Å; F149-Y151 HydrophobicContact CD1-CE1 4.28Å; F149-Y151 HydrophobicContact CD2-CD1 4.47Å; F149-Y151 AromaticContact CE1-CD1 3.94Å; F149-Y151 HydrophobicContact CE1-CD1 3.94Å; F149-Y151 HydrophobicContact CE1-CG 4.48Å; F149-Y151 AromaticContact CG-CD1 3.97Å; F149-Y151 HydrophobicContact CG-CD1 3.97Å; F149-Y151 HydrophobicContact CZ-CD1 4.41Å; F149-Y151 VanDerWaalsContact O-CD1 3.27Å; F149-Y151 WeakPolarHBondContact O-CD1 3.42Å; F149-Y151 PolarHBondContact O-N 3.36Å | ||
| 150 | V | 98.2 | Very high | 97.7 | Very high | 60 Ų | 60 | 44 Ų | 44 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | trans | -90.7 | 98 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | G78 T79 G148 | G78-V150 CarbonylContact C-O 3.54Å; G78-V150 WeakPolarHBondContact CA-O 3.24Å; T79-V150 PolarHBondContact N-O 2.77Å; G148-V150 PolarHBondContact O-N 3.26Å; G148-V150 VanDerWaalsContact O-N 3.16Å | ||
| 151 | Y | 97.8 | Very high | 97.3 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | trans | -117.8 | 2.7 | 175.1 | 59.1 | -93.7 | 0 | 0 | 0 | 113.1 | L143 F149 N153 L154 L180 L181 | L143-Y151 HydrophobicContact CD2-CD1 3.53Å; L143-Y151 HydrophobicContact CD2-CD2 3.82Å; L143-Y151 HydrophobicContact CD2-CE1 3.77Å; L143-Y151 HydrophobicContact CD2-CE2 4.04Å; L143-Y151 HydrophobicContact CD2-CG 3.56Å; F149-Y151 HydrophobicContact CB-CD1 4.49Å; F149-Y151 AromaticContact CD1-CD1 3.68Å; F149-Y151 HydrophobicContact CD1-CD1 3.68Å; F149-Y151 HydrophobicContact CD1-CE1 4.28Å; F149-Y151 HydrophobicContact CD2-CD1 4.47Å; F149-Y151 AromaticContact CE1-CD1 3.94Å; F149-Y151 HydrophobicContact CE1-CD1 3.94Å; F149-Y151 HydrophobicContact CE1-CG 4.48Å; F149-Y151 AromaticContact CG-CD1 3.97Å; F149-Y151 HydrophobicContact CG-CD1 3.97Å; F149-Y151 HydrophobicContact CZ-CD1 4.41Å; F149-Y151 VanDerWaalsContact O-CD1 3.27Å; F149-Y151 WeakPolarHBondContact O-CD1 3.42Å; F149-Y151 PolarHBondContact O-N 3.36Å; Y151-N153 PolarHBondContact O-N 3.07Å; Y151-L154 WeakPolarHBondContact O-CB 3.42Å; Y151-L154 PolarHBondContact O-N 2.93Å; Y151-L180 WeakPolarHBondContact CE2-O 3.29Å; Y151-L181 HydrophobicContact CD2-CD2 3.9Å; Y151-L181 HydrophobicContact CG-CD2 4.47Å | ||
| 152 | K | 97.4 | Very high | 97 | Very high | 167 Ų | 167 | 43.1 Ų | 43.1 | 73% | 0.726 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.4 | -178.8 | -68.2 | -173.3 | 177.7 | -178.1 | 0 | 113.9 | P182 | K152-P182 WeakPolarHBondContact O-CG 3.3Š|
| 153 | N | 97.7 | Very high | 96.5 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 15.6 | 179.5 | -57.7 | -36.8 | 0 | 0 | 0 | 112.7 | F73 N77 Y151 Q155 | F73-N153 HydrophobicContact CE2-CB 4.24Å; F73-N153 HydrophobicContact CZ-CB 4.31Å; N77-N153 PolarHBondContact O-ND2 2.95Å; Y151-N153 PolarHBondContact O-N 3.07Å; N153-Q155 WeakPolarHBondContact O-CG 3.48Å; N153-Q155 PolarHBondContact O-N 2.97Å; N153-Q155 PolarHBondContact O-NE2 3Å |
| 154 | L | 98.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | trans | -56 | 126.8 | -179.4 | -171.5 | 75.7 | 0 | 0 | 0 | 111.2 | T79 I82 Y151 C156 L157 L181 P182 | T79-L154 HydrophobicContact CG2-CD1 4.33Å; T79-L154 WeakPolarHBondContact O-CA 3.47Å; T79-L154 PolarHBondContact O-N 3.39Å; I82-L154 HydrophobicContact CB-CD1 4.12Å; I82-L154 HydrophobicContact CD1-CD1 3.74Å; I82-L154 HydrophobicContact CD1-CD2 4.26Å; I82-L154 HydrophobicContact CG1-CD1 3.61Å; Y151-L154 WeakPolarHBondContact O-CB 3.42Å; Y151-L154 PolarHBondContact O-N 2.93Å; L154-C156 WeakPolarHBondContact CD1-O 3.41Å; L154-L157 HydrophobicContact CD2-CB 4.37Å; L154-L181 HydrophobicContact CD2-CB 4.09Å; L154-L181 HydrophobicContact CD2-CD1 3.83Å; L154-L181 HydrophobicContact CD2-CD2 4.08Å; L154-L181 HydrophobicContact CD2-CG 4.2Å; L154-P182 HydrophobicContact CB-CG 4Å | ||
| 155 | Q | 98.3 | Very high | 95.4 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | trans | -104.3 | -30.9 | 179.6 | -57.6 | -59.3 | -49.6 | 0 | 0 | 112.2 | L67 L68 L71 F73 G80 N153 R185 Q186 | L67-Q155 HydrophobicContact CD2-CB 3.89Å; L67-Q155 HydrophobicContact CG-CB 4.44Å; L68-Q155 HydrophobicContact CD2-CB 4.2Å; L68-Q155 HydrophobicContact CD2-CG 4.21Å; L71-Q155 HydrophobicContact CD1-CB 4.23Å; L71-Q155 HydrophobicContact CD1-CG 3.63Å; F73-Q155 HydrophobicContact CE2-CG 4.4Å; G80-Q155 WeakPolarHBondContact O-CA 3.03Å; G80-Q155 PolarHBondContact O-N 3.41Å; N153-Q155 WeakPolarHBondContact O-CG 3.48Å; N153-Q155 PolarHBondContact O-N 2.97Å; N153-Q155 PolarHBondContact O-NE2 3Å; Q155-R185 CarbonylContact O-C 3.22Å; Q155-R185 WeakPolarHBondContact O-CA 3.5Å; Q155-Q186 PolarHBondContact O-N 3.16Å | ||
| 156 | C | 98.5 | Very high | 95 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 132.2 | -176.1 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | L67 G80 C81 I82 L154 Q186 | L67-C156 HydrophobicContact CD2-CB 3.9Å; G80-C156 PolarHBondContact O-N 2.97Å; C81-C156 WeakPolarHBondContact CA-O 3.24Å; C81-C156 HydrophobicContact CB-CB 4.33Å; I82-C156 PolarHBondContact N-O 3.47Å; L154-C156 WeakPolarHBondContact CD1-O 3.41Å; C156-Q186 CarbonylContact C-O 3.45Å; C156-Q186 WeakPolarHBondContact CA-O 3.27Å |
| 157 | L | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.5 | 170.6 | 175.2 | 63.4 | 0 | 0 | 0 | 109.4 | I82 I84 L154 I159 I178 L181 Q186 T187 V188 | I82-L157 HydrophobicContact CB-CD1 4.17Å; I82-L157 HydrophobicContact CG2-CD1 4.08Å; I84-L157 HydrophobicContact CD1-CD1 3.84Å; I84-L157 HydrophobicContact CG1-CD1 4.19Å; L154-L157 HydrophobicContact CD2-CB 4.37Å; L157-I159 HydrophobicContact CD2-CD1 4.33Å; L157-I159 HydrophobicContact CD2-CG1 4.49Å; L157-I159 HydrophobicContact CG-CG1 4.23Å; L157-I178 HydrophobicContact CD2-CG1 4.47Å; L157-L181 HydrophobicContact CD1-CD1 3.96Å; L157-L181 HydrophobicContact CD2-CD1 4.12Å; L157-Q186 PolarHBondContact N-O 2.95Å; L157-T187 HydrophobicContact CB-CG2 4.39Å; L157-T187 HydrophobicContact CD2-CG2 4.33Å; L157-T187 HydrophobicContact CG-CG2 4.4Å; L157-T187 CarbonylContact O-C 3.58Å; L157-T187 VanDerWaalsContact O-CA 3.25Å; L157-T187 WeakPolarHBondContact O-CA 3.4Å; L157-V188 PolarHBondContact O-N 3.23Å |
| 158 | I | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.3 | 175.2 | -63 | 153.6 | 0 | 0 | 0 | 108.6 | F60 A64 I82 I83 I84 V188 | F60-I158 HydrophobicContact CB-CD1 4.07Å; F60-I158 HydrophobicContact CB-CG1 4.34Å; F60-I158 HydrophobicContact CB-CG2 4.23Å; F60-I158 HydrophobicContact CD1-CG2 4.14Å; F60-I158 HydrophobicContact CD2-CD1 3.72Å; F60-I158 HydrophobicContact CD2-CG1 4.45Å; F60-I158 HydrophobicContact CD2-CG2 3.82Å; F60-I158 HydrophobicContact CE1-CG2 4.41Å; F60-I158 HydrophobicContact CE2-CG2 4.12Å; F60-I158 HydrophobicContact CG-CD1 4.24Å; F60-I158 HydrophobicContact CG-CG2 3.83Å; F60-I158 HydrophobicContact CZ-CG2 4.41Å; A64-I158 HydrophobicContact CB-CD1 3.91Å; I82-I158 PolarHBondContact O-N 3.44Å; I83-I158 CarbonylContact C-O 3.58Å; I83-I158 WeakPolarHBondContact CA-O 3.35Å; I83-I158 HydrophobicContact CB-CB 4.38Å; I83-I158 HydrophobicContact CG1-CB 4.07Å; I83-I158 HydrophobicContact CG1-CD1 3.72Å; I83-I158 HydrophobicContact CG1-CG1 4.48Å; I83-I158 HydrophobicContact CG2-CB 4.18Å; I83-I158 HydrophobicContact CG2-CG2 4Å; I84-I158 PolarHBondContact N-O 3.41Å; I158-V188 CarbonylContact C-O 3.53Å; I158-V188 WeakPolarHBondContact CA-O 3.2Å; I158-V188 HydrophobicContact CB-CB 4.46Å; I158-V188 HydrophobicContact CG1-CB 3.96Å; I158-V188 HydrophobicContact CG1-CG2 4.09Å; I158-V188 HydrophobicContact CG2-CB 4.43Å |
| 159 | I | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 104.5 | 175.9 | -53.7 | 172.8 | 0 | 0 | 0 | 106.9 | L157 A162 I165 M174 V188 L189 F190 A205 | L157-I159 HydrophobicContact CD2-CD1 4.33Å; L157-I159 HydrophobicContact CD2-CG1 4.49Å; L157-I159 HydrophobicContact CG-CG1 4.23Å; I159-A162 HydrophobicContact CG2-CB 3.8Å; I159-I165 HydrophobicContact CG2-CD1 3.68Å; I159-M174 HydrophobicContact CD1-CE 3.66Å; I159-M174 HydrophobicContact CG1-CE 3.96Å; I159-M174 HydrophobicContact CG2-CE 3.98Å; I159-V188 PolarHBondContact N-O 3.2Å; I159-L189 WeakPolarHBondContact O-CA 3.38Å; I159-F190 PolarHBondContact O-N 3.29Å; I159-A205 HydrophobicContact CD1-CB 4.24Å |
| 160 | D | 93.8 | Very high | 93 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -97.5 | 144.5 | 178.5 | -167.3 | 20.2 | 0 | 0 | 0 | 111.2 | K56 F60 I84 P86 A162 I165 | K56-D160 IonicContact NZ-OD1 3.3Å; F60-D160 HydrophobicContact CE1-CB 4.4Å; I84-D160 PolarHBondContact O-N 3.38Å; P86-D160 VanDerWaalsContact CD-O 3.3Å; P86-D160 WeakPolarHBondContact CD-O 3.49Å; D160-A162 VanDerWaalsContact C-N 3.32Å; D160-A162 PolarHBondContact O-N 3.5Å; D160-I165 WeakPolarHBondContact O-CD1 3.38Å | ||
| 161 | E | 89.2 | Confident | 92.8 | Very high | 18 Ų | 18 | 33.5 Ų | 33.5 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 45.2 | 54.1 | -172.4 | -60.4 | -169.1 | 177.9 | 0 | 0 | 112.3 | T52 P86 L90 D163 R164 I165 F190 | T52-E161 WeakPolarHBondContact CG2-OE1 3.49Å; P86-E161 HydrophobicContact CG-CB 3.86Å; L90-E161 HydrophobicContact CD2-CG 4.05Å; E161-D163 VanDerWaalsContact C-N 3.3Å; E161-D163 PolarHBondContact O-N 2.94Å; E161-R164 HydrophobicContact CB-CB 3.83Å; E161-R164 WeakPolarHBondContact O-CA 3.45Å; E161-R164 WeakPolarHBondContact O-CB 3.35Å; E161-R164 PolarHBondContact O-N 3.41Å; E161-I165 PolarHBondContact O-N 3.43Å; E161-F190 WeakPolarHBondContact CA-O 3.45Å; E161-F190 PolarHBondContact N-O 3.28Å; E161-F190 VanDerWaalsContact N-O 3.15Å |
| 162 | A | 92 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -39.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | I159 D160 R164 I165 L166 L189 F190 I198 L201 | I159-A162 HydrophobicContact CG2-CB 3.8Å; D160-A162 VanDerWaalsContact C-N 3.32Å; D160-A162 PolarHBondContact O-N 3.5Å; A162-R164 VanDerWaalsContact C-N 3.27Å; A162-R164 PolarHBondContact O-N 3.47Å; A162-I165 WeakPolarHBondContact O-CB 3.49Å; A162-I165 PolarHBondContact O-N 3.07Å; A162-L166 WeakPolarHBondContact O-CG 3.48Å; A162-L166 PolarHBondContact O-N 3.15Å; A162-L166 VanDerWaalsContact O-N 3.14Å; A162-L189 HydrophobicContact CB-CD1 4.3Å; A162-L189 HydrophobicContact CB-CD2 3.8Å; A162-L189 HydrophobicContact CB-CG 3.88Å; A162-F190 PolarHBondContact N-O 2.9Å; A162-I198 HydrophobicContact CB-CD1 3.63Å; A162-L201 HydrophobicContact CB-CD2 4.19Å |
| 163 | D | 86.9 | Confident | 92.7 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 174.3 | 55.9 | -23.3 | 0 | 0 | 0 | 111.5 | E161 I165 L166 D167 S191 A192 T193 I198 K334 | E161-D163 VanDerWaalsContact C-N 3.3Å; E161-D163 PolarHBondContact O-N 2.94Å; D163-I165 VanDerWaalsContact C-N 3.34Å; D163-I165 PolarHBondContact O-N 3.42Å; D163-L166 PolarHBondContact O-N 2.93Å; D163-D167 WeakPolarHBondContact O-CB 3.21Å; D163-D167 PolarHBondContact O-N 3.24Å; D163-S191 VanDerWaalsContact CB-OG 3.26Å; D163-S191 WeakPolarHBondContact CB-OG 3.46Å; D163-S191 PolarHBondContact OD1-OG 3.01Å; D163-A192 PolarHBondContact OD1-N 2.89Å; D163-T193 WeakPolarHBondContact CB-OG1 3.48Å; D163-T193 PolarHBondContact OD2-N 2.99Å; D163-T193 PolarHBondContact OD2-OG1 3.27Å; D163-I198 VanDerWaalsContact CA-CD1 3.46Å; D163-I198 HydrophobicContact CB-CD1 4Å; D163-I198 HydrophobicContact CB-CG1 4.1Å; D163-K334 WeakPolarHBondContact OD2-CE 3.29Å; D163-K334 IonicContact OD2-NZ 3.36Å; D163-K334 PolarHBondContact OD2-NZ 2.81Å |
| 164 | R | 82.7 | Confident | 92.7 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 5% | 0.045 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.2 | -166 | 66 | -119.9 | 176.1 | 4.5 | 112.7 | P86 E161 A162 L166 I168 R314 D335 | P86-R164 HydrophobicContact CB-CB 4.06Å; P86-R164 HydrophobicContact CB-CG 3.77Å; P86-R164 HydrophobicContact CG-CB 4Å; P86-R164 HydrophobicContact CG-CG 3.82Å; E161-R164 HydrophobicContact CB-CB 3.83Å; E161-R164 WeakPolarHBondContact O-CA 3.45Å; E161-R164 WeakPolarHBondContact O-CB 3.35Å; E161-R164 PolarHBondContact O-N 3.41Å; A162-R164 VanDerWaalsContact C-N 3.27Å; A162-R164 PolarHBondContact O-N 3.47Å; R164-L166 VanDerWaalsContact C-N 3.32Å; R164-I168 HydrophobicContact CG-CD1 4.16Å; R164-I168 WeakPolarHBondContact O-CD1 3.22Å; R164-I168 VanDerWaalsContact O-CG1 3.24Å; R164-I168 WeakPolarHBondContact O-CG1 3.42Å; R164-I168 PolarHBondContact O-N 2.9Å; R164-R314 VanDerWaalsContact CZ-CD 3.44Å; R164-R314 VanDerWaalsContact CZ-CZ 3.49Å; R164-R314 VanDerWaalsContact CZ-NE 3.28Å; R164-R314 VanDerWaalsContact NH1-NE 3.17Å; R164-D335 IonicContact NH1-OD1 3.83Å; R164-D335 PolarHBondContact NH1-OD1 3.28Å; R164-D335 VanDerWaalsContact NH1-OD1 3.17Å |
| 165 | I | 91.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 175 | -67.9 | 172.9 | 0 | 0 | 0 | 110 | I84 P86 P136 I159 D160 E161 A162 D163 F170 M174 | I84-I165 HydrophobicContact CG2-CD1 4Å; P86-I165 HydrophobicContact CB-CG1 3.77Å; P86-I165 HydrophobicContact CG-CG1 4.36Å; P136-I165 HydrophobicContact CG-CG2 3.86Å; I159-I165 HydrophobicContact CG2-CD1 3.68Å; D160-I165 WeakPolarHBondContact O-CD1 3.38Å; E161-I165 PolarHBondContact O-N 3.43Å; A162-I165 WeakPolarHBondContact O-CB 3.49Å; A162-I165 PolarHBondContact O-N 3.07Å; D163-I165 VanDerWaalsContact C-N 3.34Å; D163-I165 PolarHBondContact O-N 3.42Å; I165-F170 HydrophobicContact CG2-CB 3.73Å; I165-F170 WeakPolarHBondContact O-CB 3.12Å; I165-F170 PolarHBondContact O-N 3.19Å; I165-M174 HydrophobicContact CG2-CG 3.46Å; I165-M174 VanDerWaalsContact CG2-CG 3.46Å; I165-M174 HydrophobicContact CG2-SD 3.99Å |
| 166 | L | 90.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.1 | -40.8 | -179.6 | -57.8 | -175.7 | 0 | 0 | 0 | 112.1 | A162 D163 R164 I168 G169 E171 K197 I198 L201 | A162-L166 WeakPolarHBondContact O-CG 3.48Å; A162-L166 PolarHBondContact O-N 3.15Å; A162-L166 VanDerWaalsContact O-N 3.14Å; D163-L166 PolarHBondContact O-N 2.93Å; R164-L166 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 2.75Å; L166-G169 WeakPolarHBondContact O-CA 3.33Å; L166-G169 PolarHBondContact O-N 3.17Å; L166-E171 HydrophobicContact CD2-CB 3.78Å; L166-E171 HydrophobicContact CD2-CG 3.99Å; L166-K197 HydrophobicContact CD1-CB 3.76Å; L166-K197 WeakPolarHBondContact CD1-O 3.18Å; L166-I198 HydrophobicContact CD1-CD1 3.66Å; L166-I198 HydrophobicContact CD1-CG1 4.13Å; L166-I198 HydrophobicContact CG-CD1 4.36Å; L166-L201 HydrophobicContact CD1-CB 4.38Å; L166-L201 HydrophobicContact CD1-CD2 4.24Å; L166-L201 HydrophobicContact CD2-CD2 4.26Å; L166-L201 HydrophobicContact CG-CD2 4.41Å |
| 167 | D | 83.4 | Confident | 92.5 | Very high | 85 Ų | 85 | 32.8 Ų | 32.8 | 46% | 0.455 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.9 | -30.6 | 178.3 | -69.1 | -16.8 | 0 | 0 | 0 | 112.5 | D163 G169 K334 | D163-D167 WeakPolarHBondContact O-CB 3.21Å; D163-D167 PolarHBondContact O-N 3.24Å; D167-G169 PolarHBondContact O-N 3.32Å; D167-K334 IonicContact OD2-NZ 3.76Å; D167-K334 PolarHBondContact OD2-NZ 3.41Å |
| 168 | I | 82.4 | Confident | 92.5 | Very high | 65 Ų | 65 | 33.1 Ų | 33.1 | 33% | 0.333 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -13.1 | 175.8 | -65.1 | 166.4 | 0 | 0 | 0 | 111.8 | P86 T87 R164 L166 F170 | P86-I168 HydrophobicContact CB-CD1 3.83Å; T87-I168 HydrophobicContact CG2-CD1 4.22Å; R164-I168 HydrophobicContact CG-CD1 4.16Å; R164-I168 WeakPolarHBondContact O-CD1 3.22Å; R164-I168 VanDerWaalsContact O-CG1 3.24Å; R164-I168 WeakPolarHBondContact O-CG1 3.42Å; R164-I168 PolarHBondContact O-N 2.9Å; L166-I168 PolarHBondContact O-N 2.75Å; I168-F170 HydrophobicContact CB-CD2 4.03Å; I168-F170 HydrophobicContact CB-CE2 4.14Å; I168-F170 HydrophobicContact CG2-CD2 3.76Å; I168-F170 HydrophobicContact CG2-CE2 3.41Å; I168-F170 VanDerWaalsContact CG2-CE2 3.41Å; I168-F170 HydrophobicContact CG2-CZ 4.14Å |
| 169 | G | 87.5 | Confident | 92.4 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 56% | 0.557 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | 14.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L166 D167 E171 | L166-G169 WeakPolarHBondContact O-CA 3.33Å; L166-G169 PolarHBondContact O-N 3.17Å; D167-G169 PolarHBondContact O-N 3.32Å; G169-E171 PolarHBondContact O-N 2.95Å |
| 170 | F | 93 | Very high | 92.4 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 23% | 0.232 | 22% | 0.218 | C | C | . | . | trans | -83.2 | 15.5 | 177.1 | -66 | -61 | 0 | 0 | 0 | 113.7 | P136 I165 I168 L172 D173 M174 | P136-F170 HydrophobicContact CB-CB 3.98Å; P136-F170 HydrophobicContact CB-CD1 4.14Å; P136-F170 HydrophobicContact CB-CD2 4.48Å; P136-F170 HydrophobicContact CB-CG 3.97Å; P136-F170 HydrophobicContact CG-CB 4.06Å; P136-F170 HydrophobicContact CG-CD2 4.05Å; P136-F170 HydrophobicContact CG-CG 4Å; I165-F170 HydrophobicContact CG2-CB 3.73Å; I165-F170 WeakPolarHBondContact O-CB 3.12Å; I165-F170 PolarHBondContact O-N 3.19Å; I168-F170 HydrophobicContact CB-CD2 4.03Å; I168-F170 HydrophobicContact CB-CE2 4.14Å; I168-F170 HydrophobicContact CG2-CD2 3.76Å; I168-F170 HydrophobicContact CG2-CE2 3.41Å; I168-F170 VanDerWaalsContact CG2-CE2 3.41Å; I168-F170 HydrophobicContact CG2-CZ 4.14Å; F170-L172 PolarHBondContact O-N 3.5Å; F170-D173 HydrophobicContact CB-CB 4.48Å; F170-D173 HydrophobicContact CD1-CB 4.47Å; F170-D173 WeakPolarHBondContact CD1-OD2 3.19Å; F170-D173 PolarHBondContact O-N 3.17Å; F170-M174 WeakPolarHBondContact O-CB 3.4Å; F170-M174 WeakPolarHBondContact O-CG 3.26Å; F170-M174 PolarHBondContact O-N 3.28Å | ||
| 171 | E | 93.2 | Very high | 92.6 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.9 | -50.3 | -178.2 | -177.1 | 172.3 | 174.5 | 0 | 0 | 112.2 | L166 G169 D173 M174 Q175 K197 | L166-E171 HydrophobicContact CD2-CB 3.78Å; L166-E171 HydrophobicContact CD2-CG 3.99Å; G169-E171 PolarHBondContact O-N 2.95Å; E171-D173 VanDerWaalsContact C-N 3.33Å; E171-D173 PolarHBondContact O-N 3.27Å; E171-M174 PolarHBondContact O-N 3.19Å; E171-Q175 WeakPolarHBondContact O-CG 3.24Å; E171-Q175 PolarHBondContact O-N 3.02Å; E171-K197 WeakPolarHBondContact OE2-CE 3.34Å; E171-K197 IonicContact OE2-NZ 3.44Å; E171-K197 PolarHBondContact OE2-NZ 3.43Å |
| 172 | L | 94.9 | Very high | 92.9 | Very high | 111 Ų | 111 | 44.8 Ų | 44.8 | 58% | 0.581 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.5 | -37.5 | 178.7 | -64.7 | 178.3 | 0 | 0 | 0 | 112.2 | F170 Q175 R176 | F170-L172 PolarHBondContact O-N 3.5Å; L172-Q175 PolarHBondContact O-N 3.23Å; L172-R176 WeakPolarHBondContact O-CG 3.19Å; L172-R176 PolarHBondContact O-N 3.14Å; L172-R176 VanDerWaalsContact O-N 3.08Å |
| 173 | D | 97.4 | Very high | 93 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 21% | 0.214 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 178.1 | -64.2 | -51.3 | 0 | 0 | 0 | 110.8 | P136 L140 F170 E171 Q175 R176 I177 | P136-D173 HydrophobicContact CB-CB 4.49Å; L140-D173 HydrophobicContact CD2-CB 4.01Å; L140-D173 WeakPolarHBondContact CD2-OD1 3.42Å; F170-D173 HydrophobicContact CB-CB 4.48Å; F170-D173 HydrophobicContact CD1-CB 4.47Å; F170-D173 WeakPolarHBondContact CD1-OD2 3.19Å; F170-D173 PolarHBondContact O-N 3.17Å; E171-D173 VanDerWaalsContact C-N 3.33Å; E171-D173 PolarHBondContact O-N 3.27Å; D173-Q175 PolarHBondContact O-N 3.02Å; D173-R176 PolarHBondContact O-N 2.96Å; D173-I177 WeakPolarHBondContact O-CD1 3.43Å; D173-I177 WeakPolarHBondContact O-CG1 3.37Å; D173-I177 PolarHBondContact O-N 3.32Å |
| 174 | M | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.5 | -74 | -57.4 | -62.2 | 0 | 0 | 112.3 | I84 P136 I159 I165 F170 E171 R176 I177 I178 L201 | I84-M174 HydrophobicContact CD1-CE 3.92Å; I84-M174 HydrophobicContact CD1-SD 4.05Å; I84-M174 HydrophobicContact CG2-SD 3.92Å; P136-M174 HydrophobicContact CB-SD 4.06Å; P136-M174 HydrophobicContact CG-SD 4.07Å; I159-M174 HydrophobicContact CD1-CE 3.66Å; I159-M174 HydrophobicContact CG1-CE 3.96Å; I159-M174 HydrophobicContact CG2-CE 3.98Å; I165-M174 HydrophobicContact CG2-CG 3.46Å; I165-M174 VanDerWaalsContact CG2-CG 3.46Å; I165-M174 HydrophobicContact CG2-SD 3.99Å; F170-M174 WeakPolarHBondContact O-CB 3.4Å; F170-M174 WeakPolarHBondContact O-CG 3.26Å; F170-M174 PolarHBondContact O-N 3.28Å; E171-M174 PolarHBondContact O-N 3.19Å; M174-R176 VanDerWaalsContact C-N 3.28Å; M174-R176 PolarHBondContact O-N 3.4Å; M174-I177 PolarHBondContact O-N 2.93Å; M174-I177 HydrophobicContact SD-CD1 4.1Å; M174-I178 HydrophobicContact CE-CD1 4.49Å; M174-I178 WeakPolarHBondContact O-CB 3.36Å; M174-I178 WeakPolarHBondContact O-CD1 3.33Å; M174-I178 VanDerWaalsContact O-CG1 3.28Å; M174-I178 WeakPolarHBondContact O-CG1 3.46Å; M174-I178 PolarHBondContact O-N 3.32Å; M174-L201 HydrophobicContact CB-CD1 3.95Å |
| 175 | Q | 96.4 | Very high | 94 | Very high | 53 Ų | 53 | 62.6 Ų | 62.6 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | 175.6 | -69.9 | -178.1 | 14.2 | 0 | 0 | 111.8 | E171 L172 D173 R179 L204 | E171-Q175 WeakPolarHBondContact O-CG 3.24Å; E171-Q175 PolarHBondContact O-N 3.02Å; L172-Q175 PolarHBondContact O-N 3.23Å; D173-Q175 PolarHBondContact O-N 3.02Å; Q175-R179 VanDerWaalsContact O-CG 3.24Å; Q175-R179 WeakPolarHBondContact O-CG 3.46Å; Q175-R179 PolarHBondContact O-N 2.99Å; Q175-L204 HydrophobicContact CB-CD2 4.07Å; Q175-L204 HydrophobicContact CG-CD2 3.89Å |
| 176 | R | 97.9 | Very high | 94.3 | Very high | 125 Ų | 125 | 63.1 Ų | 63.1 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 177.4 | -71.1 | 171.9 | 179 | -176.5 | -0.2 | 111.9 | L140 L172 D173 M174 I178 R179 L180 | L140-R176 HydrophobicContact CD1-CB 3.76Å; L140-R176 HydrophobicContact CD2-CB 4.04Å; L172-R176 WeakPolarHBondContact O-CG 3.19Å; L172-R176 PolarHBondContact O-N 3.14Å; L172-R176 VanDerWaalsContact O-N 3.08Å; D173-R176 PolarHBondContact O-N 2.96Å; M174-R176 VanDerWaalsContact C-N 3.28Å; M174-R176 PolarHBondContact O-N 3.4Å; R176-I178 PolarHBondContact O-N 2.84Å; R176-R179 PolarHBondContact O-N 3.18Å; R176-L180 WeakPolarHBondContact O-CG 3.44Å; R176-L180 PolarHBondContact O-N 2.93Å; R176-L180 VanDerWaalsContact O-N 3.11Å |
| 177 | I | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.7 | -53.5 | 175.7 | -69.8 | 161.3 | 0 | 0 | 0 | 109.6 | I84 P136 L139 L140 L143 D173 M174 R179 L180 L181 | I84-I177 HydrophobicContact CD1-CD1 4.46Å; I84-I177 HydrophobicContact CD1-CG2 3.92Å; P136-I177 HydrophobicContact CB-CD1 4.06Å; P136-I177 WeakPolarHBondContact O-CD1 3.3Å; L139-I177 HydrophobicContact CB-CD1 4.5Å; L139-I177 HydrophobicContact CD2-CD1 4.3Å; L139-I177 HydrophobicContact CD2-CG2 3.97Å; L140-I177 HydrophobicContact CB-CD1 4.2Å; L140-I177 HydrophobicContact CB-CG1 3.87Å; L140-I177 HydrophobicContact CD1-CG1 4.06Å; L140-I177 HydrophobicContact CG-CG1 4.47Å; L143-I177 HydrophobicContact CD1-CB 4.37Å; L143-I177 HydrophobicContact CD1-CG1 4.18Å; L143-I177 HydrophobicContact CD1-CG2 3.98Å; D173-I177 WeakPolarHBondContact O-CD1 3.43Å; D173-I177 WeakPolarHBondContact O-CG1 3.37Å; D173-I177 PolarHBondContact O-N 3.32Å; M174-I177 PolarHBondContact O-N 2.93Å; M174-I177 HydrophobicContact SD-CD1 4.1Å; I177-R179 VanDerWaalsContact C-N 3.27Å; I177-R179 PolarHBondContact O-N 3.43Å; I177-L180 PolarHBondContact O-N 3.47Å; I177-L181 HydrophobicContact CG2-CD1 3.71Å; I177-L181 HydrophobicContact CG2-CG 4.21Å; I177-L181 WeakPolarHBondContact O-CG 3.2Å; I177-L181 PolarHBondContact O-N 3.38Å; I177-L181 VanDerWaalsContact O-N 3.07Å |
| 178 | I | 97.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -37.9 | -176.6 | -68.4 | 160.9 | 0 | 0 | 0 | 111.9 | L157 M174 R176 L180 L181 L201 L204 A205 | L157-I178 HydrophobicContact CD2-CG1 4.47Å; M174-I178 HydrophobicContact CE-CD1 4.49Å; M174-I178 WeakPolarHBondContact O-CB 3.36Å; M174-I178 WeakPolarHBondContact O-CD1 3.33Å; M174-I178 VanDerWaalsContact O-CG1 3.28Å; M174-I178 WeakPolarHBondContact O-CG1 3.46Å; M174-I178 PolarHBondContact O-N 3.32Å; R176-I178 PolarHBondContact O-N 2.84Å; I178-L180 VanDerWaalsContact C-N 3.35Å; I178-L181 PolarHBondContact O-N 3.39Å; I178-L201 HydrophobicContact CD1-CD1 3.48Å; I178-L201 VanDerWaalsContact CD1-CD1 3.48Å; I178-L201 HydrophobicContact CD1-CG 4.48Å; I178-L204 HydrophobicContact CB-CD2 4.27Å; I178-L204 HydrophobicContact CB-CG 4.38Å; I178-L204 HydrophobicContact CD1-CD2 4.13Å; I178-L204 HydrophobicContact CD1-CG 4.42Å; I178-L204 HydrophobicContact CG2-CD2 4.24Å; I178-L204 HydrophobicContact CG2-CG 3.81Å; I178-L204 WeakPolarHBondContact CG2-O 3.39Å; I178-A205 HydrophobicContact CD1-CB 3.79Å; I178-A205 HydrophobicContact CG1-CB 4.32Å |
| 179 | R | 96 | Very high | 95.9 | Very high | 167 Ų | 167 | 55.7 Ų | 55.7 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.4 | -30.7 | 177 | -72.8 | 173.6 | -168.9 | 150.9 | 9.9 | 113.5 | Q175 R176 I177 | Q175-R179 VanDerWaalsContact O-CG 3.24Å; Q175-R179 WeakPolarHBondContact O-CG 3.46Å; Q175-R179 PolarHBondContact O-N 2.99Å; R176-R179 PolarHBondContact O-N 3.18Å; I177-R179 VanDerWaalsContact C-N 3.27Å; I177-R179 PolarHBondContact O-N 3.43Å |
| 180 | L | 97.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 34% | 0.335 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -78.4 | -31.4 | 177.6 | -70.2 | 169 | 0 | 0 | 0 | 112.3 | L140 L143 Q144 Y151 R176 I177 I178 | L140-L180 HydrophobicContact CD1-CD1 3.76Å; L143-L180 HydrophobicContact CB-CD1 3.96Å; Q144-L180 HydrophobicContact CG-CD1 3.83Å; Y151-L180 WeakPolarHBondContact CE2-O 3.29Å; R176-L180 WeakPolarHBondContact O-CG 3.44Å; R176-L180 PolarHBondContact O-N 2.93Å; R176-L180 VanDerWaalsContact O-N 3.11Å; I177-L180 PolarHBondContact O-N 3.47Å; I178-L180 VanDerWaalsContact C-N 3.35Å |
| 181 | L | 97.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -78.5 | 149.9 | -176.2 | -64.9 | 179.9 | 0 | 0 | 0 | 112.7 | I82 L143 Y151 L154 L157 I177 I178 K183 R185 | I82-L181 HydrophobicContact CD1-CD1 4.24Å; I82-L181 HydrophobicContact CD1-CD2 3.87Å; L143-L181 HydrophobicContact CD1-CD2 4.13Å; L143-L181 HydrophobicContact CD1-CG 4.49Å; L143-L181 HydrophobicContact CD2-CD2 3.81Å; Y151-L181 HydrophobicContact CD2-CD2 3.9Å; Y151-L181 HydrophobicContact CG-CD2 4.47Å; L154-L181 HydrophobicContact CD2-CB 4.09Å; L154-L181 HydrophobicContact CD2-CD1 3.83Å; L154-L181 HydrophobicContact CD2-CD2 4.08Å; L154-L181 HydrophobicContact CD2-CG 4.2Å; L157-L181 HydrophobicContact CD1-CD1 3.96Å; L157-L181 HydrophobicContact CD2-CD1 4.12Å; I177-L181 HydrophobicContact CG2-CD1 3.71Å; I177-L181 HydrophobicContact CG2-CG 4.21Å; I177-L181 WeakPolarHBondContact O-CG 3.2Å; I177-L181 PolarHBondContact O-N 3.38Å; I177-L181 VanDerWaalsContact O-N 3.07Å; I178-L181 PolarHBondContact O-N 3.39Å; L181-K183 PolarHBondContact O-N 2.76Å; L181-R185 PolarHBondContact O-NH1 3.49Å |
| 182 | P | 96.5 | Very high | 95.2 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | trans | -56 | 131.1 | 178.7 | -25.1 | 33.7 | 0 | 0 | 0 | 113 | K152 L154 Q184 R185 | K152-P182 WeakPolarHBondContact O-CG 3.3Å; L154-P182 HydrophobicContact CB-CG 4Å; P182-Q184 PolarHBondContact O-N 3.21Å; P182-R185 VanDerWaalsContact O-CD 3.27Å; P182-R185 WeakPolarHBondContact O-CD 3.47Å; P182-R185 WeakPolarHBondContact O-CG 3.17Å; P182-R185 PolarHBondContact O-NH1 3.08Å | ||
| 183 | K | 93.1 | Very high | 94.1 | Very high | 196 Ų | 196 | 47.1 Ų | 47.1 | 85% | 0.852 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -66.7 | -35.3 | -179.3 | -66.7 | -173.5 | 179.3 | -177.7 | 0 | 113.2 | L181 R185 | L181-K183 PolarHBondContact O-N 2.76Å; K183-R185 PolarHBondContact O-N 3.17Å; K183-R185 VanDerWaalsContact O-N 3.15Å |
| 184 | Q | 94.2 | Very high | 93 | Very high | 179 Ų | 179 | 50.7 Ų | 50.7 | 84% | 0.836 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -82.5 | 92 | 177.5 | -173 | 177.6 | 5.2 | 0 | 0 | 109.5 | P182 | P182-Q184 PolarHBondContact O-N 3.21Š|
| 185 | R | 96.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -154.4 | 163.9 | 177.5 | 61.5 | -178.2 | -173.9 | -100 | -9.7 | 109.2 | Q155 L181 P182 K183 T187 A205 K207 | Q155-R185 CarbonylContact O-C 3.22Å; Q155-R185 WeakPolarHBondContact O-CA 3.5Å; L181-R185 PolarHBondContact O-NH1 3.49Å; P182-R185 VanDerWaalsContact O-CD 3.27Å; P182-R185 WeakPolarHBondContact O-CD 3.47Å; P182-R185 WeakPolarHBondContact O-CG 3.17Å; P182-R185 PolarHBondContact O-NH1 3.08Å; K183-R185 PolarHBondContact O-N 3.17Å; K183-R185 VanDerWaalsContact O-N 3.15Å; R185-T187 PolarHBondContact NE-OG1 2.73Å; R185-A205 PolarHBondContact NH2-O 2.89Å; R185-K207 WeakPolarHBondContact O-CE 3.48Å; R185-K207 PolarHBondContact O-NZ 2.99Å |
| 186 | Q | 97.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 58.3 Ų | 58.3 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 138.8 | 160.4 | -173.8 | -178.3 | 38.1 | 0 | 0 | 108.8 | L40 G43 R44 D45 Q155 C156 L157 | L40-Q186 PolarHBondContact O-NE2 3.41Å; G43-Q186 VanDerWaalsContact C-NE2 3.35Å; R44-Q186 WeakPolarHBondContact O-CG 3.31Å; R44-Q186 PolarHBondContact O-NE2 3.12Å; D45-Q186 WeakPolarHBondContact OD1-CA 3.46Å; Q155-Q186 PolarHBondContact O-N 3.16Å; C156-Q186 CarbonylContact C-O 3.45Å; C156-Q186 WeakPolarHBondContact CA-O 3.27Å; L157-Q186 PolarHBondContact N-O 2.95Å |
| 187 | T | 98 | Very high | 91.3 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.2 | 173.1 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | D45 L46 L157 R185 A205 L206 | D45-T187 CarbonylContact C-O 3.57Å; D45-T187 VanDerWaalsContact CA-O 3.23Å; D45-T187 WeakPolarHBondContact CA-O 3.47Å; D45-T187 PolarHBondContact OD1-N 2.93Å; L46-T187 PolarHBondContact N-O 2.87Å; L157-T187 HydrophobicContact CB-CG2 4.39Å; L157-T187 HydrophobicContact CD2-CG2 4.33Å; L157-T187 HydrophobicContact CG-CG2 4.4Å; L157-T187 CarbonylContact O-C 3.58Å; L157-T187 VanDerWaalsContact O-CA 3.25Å; L157-T187 WeakPolarHBondContact O-CA 3.4Å; R185-T187 PolarHBondContact NE-OG1 2.73Å; T187-A205 HydrophobicContact CG2-CB 4.07Å; T187-A205 PolarHBondContact OG1-O 3.13Å; T187-L206 HydrophobicContact CG2-CD2 3.72Å; T187-L206 HydrophobicContact CG2-CG 4.33Å; T187-L206 VanDerWaalsContact O-CD2 3.27Å; T187-L206 WeakPolarHBondContact O-CD2 3.32Å |
| 188 | V | 97.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.1 | 177.5 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | L40 L46 F60 L157 I158 I159 F190 | L40-V188 HydrophobicContact CD1-CG2 4.47Å; L40-V188 HydrophobicContact CD2-CG1 4.39Å; L40-V188 HydrophobicContact CD2-CG2 3.44Å; L40-V188 VanDerWaalsContact CD2-CG2 3.44Å; L46-V188 HydrophobicContact CB-CG1 4.33Å; L46-V188 HydrophobicContact CD2-CG1 4.04Å; L46-V188 WeakPolarHBondContact O-CA 3.38Å; F60-V188 HydrophobicContact CB-CG1 4.32Å; L157-V188 PolarHBondContact O-N 3.23Å; I158-V188 CarbonylContact C-O 3.53Å; I158-V188 WeakPolarHBondContact CA-O 3.2Å; I158-V188 HydrophobicContact CB-CB 4.46Å; I158-V188 HydrophobicContact CG1-CB 3.96Å; I158-V188 HydrophobicContact CG1-CG2 4.09Å; I158-V188 HydrophobicContact CG2-CB 4.43Å; I159-V188 PolarHBondContact N-O 3.2Å; V188-F190 HydrophobicContact CG1-CD2 3.91Å; V188-F190 HydrophobicContact CG1-CE2 3.57Å; V188-F190 HydrophobicContact CG1-CZ 4.45Å |
| 189 | L | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119 | 178.7 | -171.7 | 157.1 | 0 | 0 | 0 | 109.4 | L46 M47 G48 I159 A162 I198 L201 A202 | L46-L189 PolarHBondContact O-N 3.12Å; M47-L189 CarbonylContact C-O 3.59Å; M47-L189 WeakPolarHBondContact CA-O 3.34Å; M47-L189 HydrophobicContact CE-CD2 4.43Å; M47-L189 HydrophobicContact CG-CD2 4.31Å; G48-L189 PolarHBondContact N-O 3.07Å; I159-L189 WeakPolarHBondContact O-CA 3.38Å; A162-L189 HydrophobicContact CB-CD1 4.3Å; A162-L189 HydrophobicContact CB-CD2 3.8Å; A162-L189 HydrophobicContact CB-CG 3.88Å; L189-I198 HydrophobicContact CD2-CG2 4.28Å; L189-L201 HydrophobicContact CD1-CD2 4.27Å; L189-L201 HydrophobicContact CD1-CG 4.44Å; L189-A202 HydrophobicContact CD1-CB 4.22Å |
| 190 | F | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.9 | 170.1 | -78.7 | -75 | 0 | 0 | 0 | 110.6 | V32 L46 G48 K56 F60 I159 E161 A162 V188 | V32-F190 HydrophobicContact CG2-CE1 4.13Å; L46-F190 HydrophobicContact CD2-CE1 4.11Å; L46-F190 HydrophobicContact CD2-CE2 4.28Å; L46-F190 HydrophobicContact CD2-CZ 3.81Å; G48-F190 WeakPolarHBondContact O-CA 3.49Å; G48-F190 WeakPolarHBondContact O-CD1 3.41Å; K56-F190 HydrophobicContact CD-CB 4.04Å; K56-F190 HydrophobicContact CD-CD1 3.57Å; K56-F190 HydrophobicContact CD-CE1 4.14Å; K56-F190 HydrophobicContact CD-CG 3.8Å; K56-F190 HydrophobicContact CG-CD1 4.08Å; K56-F190 HydrophobicContact CG-CE1 4.13Å; K56-F190 HydrophobicContact CG-CG 4.44Å; F60-F190 HydrophobicContact CB-CE2 4.18Å; F60-F190 AromaticContact CD1-CD2 3.88Å; F60-F190 HydrophobicContact CD1-CD2 3.88Å; F60-F190 AromaticContact CD1-CE2 3.77Å; F60-F190 HydrophobicContact CD1-CE2 3.77Å; F60-F190 HydrophobicContact CG-CE2 4.47Å; I159-F190 PolarHBondContact O-N 3.29Å; E161-F190 WeakPolarHBondContact CA-O 3.45Å; E161-F190 PolarHBondContact N-O 3.28Å; E161-F190 VanDerWaalsContact N-O 3.15Å; A162-F190 PolarHBondContact N-O 2.9Å; V188-F190 HydrophobicContact CG1-CD2 3.91Å; V188-F190 HydrophobicContact CG1-CE2 3.57Å; V188-F190 HydrophobicContact CG1-CZ 4.45Å |
| 191 | S | 87.7 | Confident | 90.1 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.8 | 176.8 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | G48 A49 D163 T193 | G48-S191 PolarHBondContact O-N 3.48Å; A49-S191 WeakPolarHBondContact CA-O 3.07Å; D163-S191 VanDerWaalsContact CB-OG 3.26Å; D163-S191 WeakPolarHBondContact CB-OG 3.46Å; D163-S191 PolarHBondContact OD1-OG 3.01Å; S191-T193 VanDerWaalsContact C-N 3.32Å; S191-T193 WeakPolarHBondContact CB-O 3.17Å; S191-T193 PolarHBondContact OG-N 2.68Å; S191-T193 PolarHBondContact OG-O 3.5Å |
| 192 | A | 77 | Confident | 89.8 | Confident | 50 Ų | 50 | 54 Ų | 54 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -79.2 | -22 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D163 | D163-A192 PolarHBondContact OD1-N 2.89Š|
| 193 | T | 72.1 | Confident | 89.6 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | trans | -127.6 | 152.9 | -174.8 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | D163 S191 K334 | D163-T193 WeakPolarHBondContact CB-OG1 3.48Å; D163-T193 PolarHBondContact OD2-N 2.99Å; D163-T193 PolarHBondContact OD2-OG1 3.27Å; S191-T193 VanDerWaalsContact C-N 3.32Å; S191-T193 WeakPolarHBondContact CB-O 3.17Å; S191-T193 PolarHBondContact OG-N 2.68Å; S191-T193 PolarHBondContact OG-O 3.5Å; T193-K334 HydrophobicContact CG2-CD 4.36Å | ||
| 194 | Q | 75.2 | Confident | 89.5 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 53% | 0.533 | 27% | 0.265 | S | S | . | . | trans | -113.8 | 92.9 | 174.4 | -62.5 | -172.5 | 42.7 | 0 | 0 | 108.1 | ||||
| 195 | T | 81.5 | Confident | 89.5 | Confident | 61 Ų | 61 | 45.3 Ų | 45.3 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | trans | -108.1 | 161.8 | 175.7 | 66.4 | 0 | 0 | 0 | 0 | 109.7 | K197 I198 E199 | T195-K197 PolarHBondContact O-N 3.4Å; T195-K197 VanDerWaalsContact O-N 3.17Å; T195-I198 WeakPolarHBondContact O-CA 3.46Å; T195-I198 WeakPolarHBondContact O-CB 3.33Å; T195-I198 PolarHBondContact O-N 3.49Å; T195-I198 PolarHBondContact OG1-N 3.12Å; T195-E199 PolarHBondContact O-N 3.12Å | ||
| 196 | K | 86.1 | Confident | 89.1 | Confident | 153 Ų | 153 | 45.6 Ų | 45.6 | 67% | 0.665 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -52.4 | -39.2 | 174.4 | -174.6 | 175.9 | -179.7 | 179.5 | 0 | 112.7 | I198 E199 D200 | K196-I198 VanDerWaalsContact C-N 3.29Å; K196-I198 PolarHBondContact O-N 3.32Å; K196-E199 WeakPolarHBondContact O-CB 3.4Å; K196-E199 PolarHBondContact O-N 2.84Å; K196-D200 WeakPolarHBondContact O-CB 3.39Å; K196-D200 VanDerWaalsContact O-CG 3.23Å; K196-D200 PolarHBondContact O-N 3.16Å |
| 197 | K | 88.6 | Confident | 88.5 | Confident | 102 Ų | 102 | 50 Ų | 50 | 44% | 0.443 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62 | -37.1 | 176.3 | -66.7 | -168.5 | 170.6 | -150.8 | 0 | 112.6 | L166 E171 T195 L201 | L166-K197 HydrophobicContact CD1-CB 3.76Å; L166-K197 WeakPolarHBondContact CD1-O 3.18Å; E171-K197 WeakPolarHBondContact OE2-CE 3.34Å; E171-K197 IonicContact OE2-NZ 3.44Å; E171-K197 PolarHBondContact OE2-NZ 3.43Å; T195-K197 PolarHBondContact O-N 3.4Å; T195-K197 VanDerWaalsContact O-N 3.17Å; K197-L201 WeakPolarHBondContact O-CB 3.5Å; K197-L201 PolarHBondContact O-N 2.83Å |
| 198 | I | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.4 | -40.3 | 176 | -70.4 | -70.1 | 0 | 0 | 0 | 111.2 | M47 A162 D163 L166 L189 T195 K196 D200 L201 A202 | M47-I198 HydrophobicContact CE-CG2 3.65Å; A162-I198 HydrophobicContact CB-CD1 3.63Å; D163-I198 VanDerWaalsContact CA-CD1 3.46Å; D163-I198 HydrophobicContact CB-CD1 4Å; D163-I198 HydrophobicContact CB-CG1 4.1Å; L166-I198 HydrophobicContact CD1-CD1 3.66Å; L166-I198 HydrophobicContact CD1-CG1 4.13Å; L166-I198 HydrophobicContact CG-CD1 4.36Å; L189-I198 HydrophobicContact CD2-CG2 4.28Å; T195-I198 WeakPolarHBondContact O-CA 3.46Å; T195-I198 WeakPolarHBondContact O-CB 3.33Å; T195-I198 PolarHBondContact O-N 3.49Å; T195-I198 PolarHBondContact OG1-N 3.12Å; K196-I198 VanDerWaalsContact C-N 3.29Å; K196-I198 PolarHBondContact O-N 3.32Å; I198-D200 VanDerWaalsContact C-N 3.33Å; I198-D200 PolarHBondContact O-N 2.73Å; I198-L201 PolarHBondContact O-N 2.99Å; I198-A202 WeakPolarHBondContact O-CB 3.32Å; I198-A202 PolarHBondContact O-N 3.01Å |
| 199 | E | 89.3 | Confident | 87 | Confident | 87 Ų | 87 | 68.3 Ų | 68.3 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 173 | -66.9 | 173.9 | -163.8 | 0 | 0 | 112 | T195 K196 A202 K203 | T195-E199 PolarHBondContact O-N 3.12Å; K196-E199 WeakPolarHBondContact O-CB 3.4Å; K196-E199 PolarHBondContact O-N 2.84Å; E199-A202 WeakPolarHBondContact O-CB 3.44Å; E199-A202 PolarHBondContact O-N 3.48Å; E199-K203 WeakPolarHBondContact O-CB 3.48Å; E199-K203 VanDerWaalsContact O-CG 3.25Å; E199-K203 WeakPolarHBondContact O-CG 3.47Å; E199-K203 PolarHBondContact O-N 3.04Å |
| 200 | D | 91.3 | Very high | 86.7 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 178.9 | -68.7 | -22.1 | 0 | 0 | 0 | 111.3 | K196 I198 K203 L204 | K196-D200 WeakPolarHBondContact O-CB 3.39Å; K196-D200 VanDerWaalsContact O-CG 3.23Å; K196-D200 PolarHBondContact O-N 3.16Å; I198-D200 VanDerWaalsContact C-N 3.33Å; I198-D200 PolarHBondContact O-N 2.73Å; D200-K203 IonicContact OD1-NZ 3.64Å; D200-L204 PolarHBondContact O-N 2.97Å; D200-L204 VanDerWaalsContact O-N 3.15Å |
| 201 | L | 93 | Very high | 86.7 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 171.4 | -176.7 | 68.8 | 0 | 0 | 0 | 111.5 | A162 L166 M174 I178 L189 K197 I198 L204 A205 | A162-L201 HydrophobicContact CB-CD2 4.19Å; L166-L201 HydrophobicContact CD1-CB 4.38Å; L166-L201 HydrophobicContact CD1-CD2 4.24Å; L166-L201 HydrophobicContact CD2-CD2 4.26Å; L166-L201 HydrophobicContact CG-CD2 4.41Å; M174-L201 HydrophobicContact CB-CD1 3.95Å; I178-L201 HydrophobicContact CD1-CD1 3.48Å; I178-L201 VanDerWaalsContact CD1-CD1 3.48Å; I178-L201 HydrophobicContact CD1-CG 4.48Å; L189-L201 HydrophobicContact CD1-CD2 4.27Å; L189-L201 HydrophobicContact CD1-CG 4.44Å; K197-L201 WeakPolarHBondContact O-CB 3.5Å; K197-L201 PolarHBondContact O-N 2.83Å; I198-L201 PolarHBondContact O-N 2.99Å; L201-L204 PolarHBondContact O-N 3.44Å; L201-A205 VanDerWaalsContact O-CB 3.32Å; L201-A205 WeakPolarHBondContact O-CB 3.39Å; L201-A205 PolarHBondContact O-N 3.07Å |
| 202 | A | 91.8 | Very high | 86.9 | Confident | 9 Ų | 9 | 79.8 Ų | 79.8 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M47 L189 I198 E199 L204 A205 L206 | M47-A202 HydrophobicContact CE-CB 4.47Å; M47-A202 HydrophobicContact SD-CB 3.96Å; L189-A202 HydrophobicContact CD1-CB 4.22Å; I198-A202 WeakPolarHBondContact O-CB 3.32Å; I198-A202 PolarHBondContact O-N 3.01Å; E199-A202 WeakPolarHBondContact O-CB 3.44Å; E199-A202 PolarHBondContact O-N 3.48Å; A202-L204 PolarHBondContact O-N 3.23Å; A202-A205 PolarHBondContact O-N 3.04Å; A202-A205 VanDerWaalsContact O-N 3.16Å; A202-L206 HydrophobicContact CB-CD1 3.78Å; A202-L206 VanDerWaalsContact O-CB 3.3Å; A202-L206 WeakPolarHBondContact O-CB 3.45Å; A202-L206 PolarHBondContact O-N 3.08Å |
| 203 | K | 92 | Very high | 87.4 | Confident | 149 Ų | 149 | 77.8 Ų | 77.8 | 65% | 0.648 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.4 | -33 | 175.5 | -74.1 | 167.9 | -170.4 | 161.6 | 0 | 113 | E199 D200 | E199-K203 WeakPolarHBondContact O-CB 3.48Å; E199-K203 VanDerWaalsContact O-CG 3.25Å; E199-K203 WeakPolarHBondContact O-CG 3.47Å; E199-K203 PolarHBondContact O-N 3.04Å; D200-K203 IonicContact OD1-NZ 3.64Å |
| 204 | L | 92.6 | Very high | 87.8 | Confident | 69 Ų | 69 | 78 Ų | 78 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -77.9 | -34.9 | 177.8 | -175 | 66 | 0 | 0 | 0 | 112.3 | Q175 I178 D200 L201 A202 | Q175-L204 HydrophobicContact CB-CD2 4.07Å; Q175-L204 HydrophobicContact CG-CD2 3.89Å; I178-L204 HydrophobicContact CB-CD2 4.27Å; I178-L204 HydrophobicContact CB-CG 4.38Å; I178-L204 HydrophobicContact CD1-CD2 4.13Å; I178-L204 HydrophobicContact CD1-CG 4.42Å; I178-L204 HydrophobicContact CG2-CD2 4.24Å; I178-L204 HydrophobicContact CG2-CG 3.81Å; I178-L204 WeakPolarHBondContact CG2-O 3.39Å; D200-L204 PolarHBondContact O-N 2.97Å; D200-L204 VanDerWaalsContact O-N 3.15Å; L201-L204 PolarHBondContact O-N 3.44Å; A202-L204 PolarHBondContact O-N 3.23Å |
| 205 | A | 93.4 | Very high | 87.7 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 5% | 0.05 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -95 | -37.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I159 I178 R185 T187 L201 A202 | I159-A205 HydrophobicContact CD1-CB 4.24Å; I178-A205 HydrophobicContact CD1-CB 3.79Å; I178-A205 HydrophobicContact CG1-CB 4.32Å; R185-A205 PolarHBondContact NH2-O 2.89Å; T187-A205 HydrophobicContact CG2-CB 4.07Å; T187-A205 PolarHBondContact OG1-O 3.13Å; L201-A205 VanDerWaalsContact O-CB 3.32Å; L201-A205 WeakPolarHBondContact O-CB 3.39Å; L201-A205 PolarHBondContact O-N 3.07Å; A202-A205 PolarHBondContact O-N 3.04Å; A202-A205 VanDerWaalsContact O-N 3.16Å |
| 206 | L | 88.8 | Confident | 86.6 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -97.3 | 159.8 | -172.1 | -60.1 | 160.9 | 0 | 0 | 0 | 111.7 | D45 M47 T187 A202 P210 | D45-L206 HydrophobicContact CB-CD2 3.82Å; D45-L206 WeakPolarHBondContact OD2-CA 3.41Å; M47-L206 HydrophobicContact CB-CD1 4.34Å; M47-L206 HydrophobicContact SD-CD1 4.46Å; T187-L206 HydrophobicContact CG2-CD2 3.72Å; T187-L206 HydrophobicContact CG2-CG 4.33Å; T187-L206 VanDerWaalsContact O-CD2 3.27Å; T187-L206 WeakPolarHBondContact O-CD2 3.32Å; A202-L206 HydrophobicContact CB-CD1 3.78Å; A202-L206 VanDerWaalsContact O-CB 3.3Å; A202-L206 WeakPolarHBondContact O-CB 3.45Å; A202-L206 PolarHBondContact O-N 3.08Å; L206-P210 HydrophobicContact CD1-CB 4.16Å; L206-P210 HydrophobicContact CD1-CG 4.19Å; L206-P210 HydrophobicContact CD2-CB 4.46Å |
| 207 | K | 84.8 | Confident | 85 | Confident | 103 Ų | 103 | 73.8 Ų | 73.8 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | trans | -71.1 | 172 | 166.6 | -63 | 166.5 | -167.8 | 143.8 | 0 | 111.1 | D45 R185 E209 | D45-K207 IonicContact OD1-NZ 3.21Å; D45-K207 PolarHBondContact OD1-NZ 3.46Å; D45-K207 WeakPolarHBondContact OD2-CG 3.27Å; D45-K207 PolarHBondContact OD2-N 3.01Å; R185-K207 WeakPolarHBondContact O-CE 3.48Å; R185-K207 PolarHBondContact O-NZ 2.99Å; K207-E209 VanDerWaalsContact C-N 3.28Å; K207-E209 PolarHBondContact O-N 3.31Å; K207-E209 VanDerWaalsContact O-N 3.16Å | ||
| 208 | K | 76.6 | Confident | 83.1 | Confident | 213 Ų | 213 | 76.9 Ų | 76.9 | 93% | 0.926 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -57 | -31 | -173.3 | -82.7 | -173 | 174.1 | -176.7 | 0 | 115.2 | ||
| 209 | E | 86.2 | Confident | 81.4 | Confident | 175 Ų | 175 | 78.9 Ų | 78.9 | 82% | 0.818 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -132.6 | 79.8 | -173.6 | -65 | -176.6 | 171.9 | 0 | 0 | 111.4 | K207 | K207-E209 VanDerWaalsContact C-N 3.28Å; K207-E209 PolarHBondContact O-N 3.31Å; K207-E209 VanDerWaalsContact O-N 3.16Å |
| 210 | P | 90.6 | Very high | 79.9 | Confident | 22 Ų | 22 | 79.5 Ų | 79.5 | 14% | 0.143 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 152.4 | 174 | 32.6 | -33.6 | 0 | 0 | 0 | 110.8 | D45 L206 F212 | D45-P210 HydrophobicContact CB-CB 4.17Å; D45-P210 CarbonylContact O-C 3.53Å; D45-P210 WeakPolarHBondContact O-CA 3.5Å; L206-P210 HydrophobicContact CD1-CB 4.16Å; L206-P210 HydrophobicContact CD1-CG 4.19Å; L206-P210 HydrophobicContact CD2-CB 4.46Å; P210-F212 HydrophobicContact CG-CE1 4.41Å; P210-F212 HydrophobicContact CG-CE2 3.77Å; P210-F212 HydrophobicContact CG-CZ 3.69Å; P210-F212 VanDerWaalsContact O-CD2 3.3Å; P210-F212 WeakPolarHBondContact O-CD2 3.36Å; P210-F212 WeakPolarHBondContact O-CE2 3.07Å |
| 211 | Y | 92.7 | Very high | 78.7 | Confident | 91 Ų | 91 | 80 Ų | 80 | 36% | 0.357 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123 | 170.3 | -170.5 | -108.9 | 0 | 0 | 0 | 110.1 | P39 D45 L46 M47 V213 | P39-Y211 HydrophobicContact CB-CD1 3.71Å; P39-Y211 HydrophobicContact CB-CE1 4.07Å; P39-Y211 HydrophobicContact CB-CG 4.07Å; P39-Y211 HydrophobicContact CG-CD1 3.67Å; P39-Y211 HydrophobicContact CG-CE1 3.47Å; P39-Y211 VanDerWaalsContact CG-CE1 3.47Å; P39-Y211 HydrophobicContact CG-CG 4.32Å; D45-Y211 PolarHBondContact O-N 2.96Å; L46-Y211 WeakPolarHBondContact CA-O 3.45Å; L46-Y211 HydrophobicContact CD1-CD1 4.29Å; M47-Y211 PolarHBondContact N-O 3.18Å; Y211-V213 HydrophobicContact CD1-CG2 3.6Å; Y211-V213 HydrophobicContact CE1-CG2 3.49Å; Y211-V213 VanDerWaalsContact CE1-CG2 3.49Å |
| 212 | F | 91.2 | Very high | 77.4 | Confident | 130 Ų | 130 | 81.3 Ų | 81.3 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.8 | -179.8 | -69 | -86.8 | 0 | 0 | 0 | 111.1 | M47 P210 | M47-F212 HydrophobicContact CB-CD1 3.85Å; M47-F212 HydrophobicContact CB-CE1 3.86Å; M47-F212 HydrophobicContact CG-CD1 4.11Å; M47-F212 HydrophobicContact CG-CE1 3.99Å; M47-F212 WeakPolarHBondContact O-CA 3.47Å; M47-F212 HydrophobicContact SD-CD1 4.31Å; M47-F212 HydrophobicContact SD-CE1 3.62Å; P210-F212 HydrophobicContact CG-CE1 4.41Å; P210-F212 HydrophobicContact CG-CE2 3.77Å; P210-F212 HydrophobicContact CG-CZ 3.69Å; P210-F212 VanDerWaalsContact O-CD2 3.3Å; P210-F212 WeakPolarHBondContact O-CD2 3.36Å; P210-F212 WeakPolarHBondContact O-CE2 3.07Å |
| 213 | V | 88.5 | Confident | 76.4 | Confident | 9 Ų | 9 | 81.4 Ų | 81.4 | 6% | 0.055 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116.4 | 174.6 | 178 | 0 | 0 | 0 | 0 | 109 | K35 L46 M47 G48 A49 Y211 I215 | K35-V213 HydrophobicContact CB-CG1 3.87Å; K35-V213 HydrophobicContact CB-CG2 4.49Å; K35-V213 HydrophobicContact CD-CG1 4.18Å; L46-V213 HydrophobicContact CD1-CG2 4.09Å; M47-V213 PolarHBondContact O-N 3.49Å; G48-V213 CarbonylContact C-O 3.59Å; G48-V213 WeakPolarHBondContact CA-O 3.21Å; A49-V213 PolarHBondContact N-O 3.35Å; Y211-V213 HydrophobicContact CD1-CG2 3.6Å; Y211-V213 HydrophobicContact CE1-CG2 3.49Å; Y211-V213 VanDerWaalsContact CE1-CG2 3.49Å; V213-I215 HydrophobicContact CG1-CD1 3.94Å; V213-I215 HydrophobicContact CG1-CG1 3.91Å |
| 214 | S | 81 | Confident | 75.3 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 31% | 0.308 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.3 | 172 | -173 | 0 | 0 | 0 | 0 | 109 | E217 | S214-E217 PolarHBondContact OG-OE1 3.08Å |
| 215 | I | 71.5 | Confident | 74.3 | Confident | 41 Ų | 41 | 82 Ų | 82 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -116.5 | 5.8 | -174.3 | -61.9 | 175.4 | 0 | 0 | 0 | 111.5 | V32 K35 A49 A50 V213 | V32-I215 HydrophobicContact CB-CD1 3.18Å; V32-I215 HydrophobicContact CG2-CD1 3.37Å; K35-I215 HydrophobicContact CD-CG1 4.36Å; A49-I215 PolarHBondContact O-N 2.94Å; A50-I215 HydrophobicContact CB-CD1 4.23Å; V213-I215 HydrophobicContact CG1-CD1 3.94Å; V213-I215 HydrophobicContact CG1-CG1 3.91Å |
| 216 | S | 58.5 | Low | 73.6 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 42% | 0.42 | 44% | 0.435 | S | S | . | . | trans | -146 | 19.3 | -165.6 | 54.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 217 | E | 52.2 | Low | 73.3 | Confident | 139 Ų | 139 | 83 Ų | 83 | 65% | 0.65 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -72.4 | -35.4 | 176 | -84.3 | 166 | -136.3 | 0 | 0 | 112.9 | S214 A219 | S214-E217 PolarHBondContact OG-OE1 3.08Å; E217-A219 PolarHBondContact O-N 3.06Å |
| 218 | D | 50.2 | Low | 73.5 | Confident | 166 Ų | 166 | 81 Ų | 81 | 89% | 0.888 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -88.3 | -2.2 | -176.7 | -64.7 | -31.7 | 0 | 0 | 0 | 114.8 | S220 | D218-S220 PolarHBondContact O-N 3.5Š|
| 219 | A | 52.8 | Low | 74.3 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | trans | -71.7 | 119.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E217 Q221 | E217-A219 PolarHBondContact O-N 3.06Å; A219-Q221 PolarHBondContact O-N 3.32Å | ||
| 220 | S | 59.3 | Low | 74.6 | Confident | 101 Ų | 101 | 63.1 Ų | 63.1 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -61.6 | -20.9 | 175.3 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | D218 | D218-S220 PolarHBondContact O-N 3.5Š|
| 221 | Q | 64.2 | Low | 75 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -130 | 142.8 | -179.4 | -59.6 | -175.2 | 1.6 | 0 | 0 | 111.6 | A219 T223 K372 P374 | A219-Q221 PolarHBondContact O-N 3.32Å; Q221-T223 VanDerWaalsContact C-N 3.26Å; Q221-T223 PolarHBondContact O-N 3.46Å; Q221-K372 WeakPolarHBondContact CA-O 3.43Å; Q221-P374 HydrophobicContact CG-CG 4.09Å |
| 222 | A | 66 | Low | 75.1 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -77.1 | -12.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I337 A371 K372 V373 | A222-I337 HydrophobicContact CB-CD1 3.66Å; A222-I337 HydrophobicContact CB-CG1 4.26Å; A222-A371 VanDerWaalsContact CB-O 3.31Å; A222-A371 WeakPolarHBondContact CB-O 3.31Å; A222-K372 PolarHBondContact N-O 3.29Å; A222-V373 HydrophobicContact CB-CG2 4.17Å |
| 223 | T | 70.8 | Confident | 75.4 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -98.8 | 171.5 | -178.8 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | Q221 L227 Q229 V340 V373 | Q221-T223 VanDerWaalsContact C-N 3.26Å; Q221-T223 PolarHBondContact O-N 3.46Å; T223-L227 HydrophobicContact CG2-CD2 4.34Å; T223-Q229 PolarHBondContact OG1-NE2 3.28Å; T223-V340 HydrophobicContact CG2-CG2 3.84Å; T223-V373 HydrophobicContact CG2-CG1 4.34Å; T223-V373 HydrophobicContact CG2-CG2 4.49Å |
| 224 | V | 70.3 | Confident | 75.7 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | trans | -80.4 | 148.6 | 178.1 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | K51 G226 L227 A344 | K51-V224 HydrophobicContact CD-CG1 4.48Å; V224-G226 VanDerWaalsContact C-N 3.33Å; V224-G226 PolarHBondContact O-N 3.35Å; V224-L227 HydrophobicContact CG2-CB 3.82Å; V224-L227 WeakPolarHBondContact O-CB 3.35Å; V224-L227 PolarHBondContact O-N 2.77Å; V224-A344 HydrophobicContact CG2-CB 3.65Å | ||
| 225 | E | 71.3 | Confident | 76.4 | Confident | 198 Ų | 198 | 54.7 Ų | 54.7 | 93% | 0.925 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -31.9 | -173.4 | -68.1 | -179.8 | 167.7 | 0 | 0 | 114.3 | L227 | E225-L227 PolarHBondContact O-N 3.12Š|
| 226 | G | 77.9 | Confident | 77.4 | Confident | 32 Ų | 32 | 53 Ų | 53 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V224 A344 G349 R350 G351 | V224-G226 VanDerWaalsContact C-N 3.33Å; V224-G226 PolarHBondContact O-N 3.35Å; G226-A344 VanDerWaalsContact C-CB 3.48Å; G226-A344 WeakPolarHBondContact O-CB 3.44Å; G226-G349 WeakPolarHBondContact CA-O 3.3Å; G226-R350 WeakPolarHBondContact O-CA 3.36Å; G226-G351 PolarHBondContact O-N 3.23Å; G226-G351 VanDerWaalsContact O-N 3.15Å |
| 227 | L | 83.3 | Confident | 79.1 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 114.9 | -173.6 | 178.7 | 58.9 | 0 | 0 | 0 | 111.6 | T223 V224 E225 Q229 V340 T343 A344 G351 A353 | T223-L227 HydrophobicContact CG2-CD2 4.34Å; V224-L227 HydrophobicContact CG2-CB 3.82Å; V224-L227 WeakPolarHBondContact O-CB 3.35Å; V224-L227 PolarHBondContact O-N 2.77Å; E225-L227 PolarHBondContact O-N 3.12Å; L227-Q229 HydrophobicContact CB-CG 4.5Å; L227-Q229 HydrophobicContact CD1-CG 4.22Å; L227-Q229 VanDerWaalsContact CD2-CD 3.42Å; L227-Q229 HydrophobicContact CD2-CG 3.65Å; L227-Q229 HydrophobicContact CG-CG 3.46Å; L227-Q229 VanDerWaalsContact CG-CG 3.46Å; L227-V340 HydrophobicContact CD2-CB 3.65Å; L227-V340 HydrophobicContact CD2-CG2 3.64Å; L227-T343 HydrophobicContact CD1-CG2 3.3Å; L227-T343 HydrophobicContact CG-CG2 4.44Å; L227-A344 HydrophobicContact CB-CB 3.95Å; L227-G351 WeakPolarHBondContact CA-O 3.42Å; L227-A353 HydrophobicContact CD1-CB 4.16Å |
| 228 | S | 89.1 | Confident | 81.2 | Confident | 59 Ų | 59 | 50.3 Ų | 50.3 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 128.1 | 166.8 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | G351 N352 A353 Y378 | S228-G351 PolarHBondContact N-O 3.42Å; S228-N352 CarbonylContact O-C 3.36Å; S228-N352 VanDerWaalsContact O-CA 3.25Å; S228-N352 WeakPolarHBondContact O-CA 3.44Å; S228-A353 PolarHBondContact O-N 3.43Å; S228-Y378 PolarHBondContact OG-OH 3.01Å |
| 229 | Q | 91.9 | Very high | 83.3 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.4 | -174.4 | -52.9 | -177.9 | 82 | 0 | 0 | 110.6 | T223 L227 Y336 A353 V375 V376 | T223-Q229 PolarHBondContact OG1-NE2 3.28Å; L227-Q229 HydrophobicContact CB-CG 4.5Å; L227-Q229 HydrophobicContact CD1-CG 4.22Å; L227-Q229 VanDerWaalsContact CD2-CD 3.42Å; L227-Q229 HydrophobicContact CD2-CG 3.65Å; L227-Q229 HydrophobicContact CG-CG 3.46Å; L227-Q229 VanDerWaalsContact CG-CG 3.46Å; Q229-Y336 PolarHBondContact OE1-OH 2.64Å; Q229-A353 HydrophobicContact CB-CB 4.45Å; Q229-A353 HydrophobicContact CG-CB 4.15Å; Q229-V375 HydrophobicContact CB-CG1 4.03Å; Q229-V376 PolarHBondContact O-N 3.02Å; Q229-V376 VanDerWaalsContact O-N 3.14Å |
| 230 | G | 94.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 171.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | A353 L354 L355 V376 Y378 | G230-A353 PolarHBondContact N-O 2.99Å; G230-L354 WeakPolarHBondContact O-CA 3.02Å; G230-L355 PolarHBondContact O-N 3.41Å; G230-V376 CarbonylContact C-O 3.53Å; G230-V376 WeakPolarHBondContact CA-O 3.43Å; G230-Y378 PolarHBondContact N-OH 3.3Å |
| 231 | Y | 97.2 | Very high | 87.1 | Confident | 28 Ų | 28 | 36.5 Ų | 36.5 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 157.1 | 178.1 | 74 | -83.4 | 0 | 0 | 0 | 111.2 | V233 L355 L357 L362 L365 V375 V376 E377 Y378 | Y231-V233 HydrophobicContact CD2-CG2 4.17Å; Y231-V233 HydrophobicContact CE2-CG2 3.8Å; Y231-L355 CarbonylContact C-O 3.53Å; Y231-L355 WeakPolarHBondContact CA-O 3.42Å; Y231-L355 WeakPolarHBondContact CB-O 3.31Å; Y231-L357 HydrophobicContact CD2-CD1 4.24Å; Y231-L357 HydrophobicContact CG-CD1 4.48Å; Y231-L362 HydrophobicContact CD2-CD2 4.37Å; Y231-L362 HydrophobicContact CE2-CD2 3.81Å; Y231-L365 HydrophobicContact CD1-CD1 4.18Å; Y231-L365 HydrophobicContact CD1-CD2 3.95Å; Y231-L365 HydrophobicContact CD2-CD1 4.22Å; Y231-L365 HydrophobicContact CE1-CD1 3.7Å; Y231-L365 HydrophobicContact CE1-CD2 4.25Å; Y231-L365 HydrophobicContact CE2-CD1 3.8Å; Y231-L365 HydrophobicContact CG-CD1 4.41Å; Y231-L365 HydrophobicContact CG-CD2 4.09Å; Y231-L365 VanDerWaalsContact CZ-CD1 3.49Å; Y231-V375 HydrophobicContact CD1-CB 4.31Å; Y231-V375 HydrophobicContact CD1-CG2 3.81Å; Y231-V375 HydrophobicContact CE1-CG2 4.38Å; Y231-V376 PolarHBondContact N-O 3.3Å; Y231-E377 HydrophobicContact CD1-CB 4.43Å; Y231-E377 HydrophobicContact CD2-CG 4.36Å; Y231-E377 HydrophobicContact CE1-CB 3.71Å; Y231-E377 HydrophobicContact CE1-CG 4.27Å; Y231-E377 HydrophobicContact CE2-CB 4.06Å; Y231-E377 HydrophobicContact CE2-CG 3.68Å; Y231-E377 VanDerWaalsContact CZ-CB 3.49Å; Y231-E377 WeakPolarHBondContact OH-CB 3.22Å; Y231-E377 PolarHBondContact OH-OE2 3.4Å; Y231-Y378 PolarHBondContact O-N 3.05Å |
| 232 | I | 96.8 | Very high | 88.6 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.7 | 171.4 | -70 | 175.7 | 0 | 0 | 0 | 107.9 | C234 L242 L354 L355 L357 L380 | I232-C234 HydrophobicContact CG2-CB 4.5Å; I232-L242 HydrophobicContact CB-CD2 4.41Å; I232-L242 HydrophobicContact CD1-CD1 4.38Å; I232-L242 HydrophobicContact CD1-CD2 4.46Å; I232-L242 HydrophobicContact CG2-CD2 3.85Å; I232-L354 HydrophobicContact CB-CD1 4.2Å; I232-L354 HydrophobicContact CD1-CD1 3.65Å; I232-L354 HydrophobicContact CD1-CD2 4.39Å; I232-L354 HydrophobicContact CG1-CD1 3.69Å; I232-L355 PolarHBondContact N-O 3.46Å; I232-L357 PolarHBondContact O-N 2.55Å; I232-L380 HydrophobicContact CD1-CB 4.32Å; I232-L380 HydrophobicContact CD1-CD1 4.42Å; I232-L380 HydrophobicContact CD1-CD2 4.5Å; I232-L380 HydrophobicContact CG2-CB 4.3Å; I232-L380 HydrophobicContact CG2-CD2 3.75Å |
| 233 | V | 96 | Very high | 90.1 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 21% | 0.212 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 117.4 | 168.9 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | Y231 L357 P359 L362 | Y231-V233 HydrophobicContact CD2-CG2 4.17Å; Y231-V233 HydrophobicContact CE2-CG2 3.8Å; V233-L357 CarbonylContact C-O 3.54Å; V233-L357 VanDerWaalsContact CA-O 3.32Å; V233-L357 WeakPolarHBondContact CA-O 3.39Å; V233-P359 HydrophobicContact CG1-CB 4.26Å; V233-P359 HydrophobicContact CG1-CG 3.8Å; V233-L362 HydrophobicContact CG2-CD1 4.36Å; V233-L362 HydrophobicContact CG2-CD2 3.66Å; V233-L362 HydrophobicContact CG2-CG 4.32Å |
| 234 | C | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -129.8 | 118 | -171.9 | -169 | 0 | 0 | 0 | 0 | 109.7 | I232 V236 R239 L242 I356 L357 W382 | I232-C234 HydrophobicContact CG2-CB 4.5Å; C234-V236 PolarHBondContact O-N 2.81Å; C234-R239 HydrophobicContact CB-CG 4.14Å; C234-R239 VanDerWaalsContact SG-CA 3.6Å; C234-R239 VanDerWaalsContact SG-CG 3.59Å; C234-L242 HydrophobicContact CB-CD2 4.08Å; C234-I356 HydrophobicContact CB-CG2 3.64Å; C234-L357 PolarHBondContact N-O 3.2Å; C234-W382 HydrophobicContact CB-CH2 4.44Å | ||
| 235 | P | 94.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 32 Ų | 32 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | trans | -53.9 | 138.2 | 166 | -23.9 | 34.6 | 0 | 0 | 0 | 110.2 | E237 K238 R239 | P235-E237 VanDerWaalsContact C-N 3.29Å; P235-E237 WeakPolarHBondContact CB-OE1 3.13Å; P235-E237 WeakPolarHBondContact CB-OE2 3.25Å; P235-E237 PolarHBondContact O-N 2.68Å; P235-K238 PolarHBondContact O-N 3.12Å; P235-R239 PolarHBondContact O-N 3.24Å | ||
| 236 | V | 94.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 23.9 Ų | 23.9 | 4% | 0.036 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -61.9 | -37.9 | -166.4 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | C234 K238 R239 Q358 A435 V436 S439 | C234-V236 PolarHBondContact O-N 2.81Å; V236-K238 PolarHBondContact O-N 3.1Å; V236-R239 WeakPolarHBondContact O-CB 3.42Å; V236-R239 WeakPolarHBondContact O-CG 3.07Å; V236-R239 PolarHBondContact O-N 3.32Å; V236-R239 VanDerWaalsContact O-N 3.16Å; V236-Q358 HydrophobicContact CB-CG 4.23Å; V236-A435 HydrophobicContact CG1-CB 3.38Å; V236-V436 HydrophobicContact CG1-CG2 4.17Å; V236-V436 HydrophobicContact CG2-CB 4.42Å; V236-V436 HydrophobicContact CG2-CG2 3.68Å; V236-S439 WeakPolarHBondContact O-CB 3.39Å |
| 237 | E | 94.2 | Very high | 94.8 | Very high | 58 Ų | 58 | 22.4 Ų | 22.4 | 27% | 0.271 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -62.5 | -28 | 176.7 | 70.4 | -73.9 | 179.3 | 0 | 0 | 112.6 | P235 A435 K438 | P235-E237 VanDerWaalsContact C-N 3.29Å; P235-E237 WeakPolarHBondContact CB-OE1 3.13Å; P235-E237 WeakPolarHBondContact CB-OE2 3.25Å; P235-E237 PolarHBondContact O-N 2.68Å; E237-A435 WeakPolarHBondContact CA-O 3.47Å; E237-A435 HydrophobicContact CB-CB 4.17Å; E237-A435 WeakPolarHBondContact CB-O 3.39Å; E237-K438 HydrophobicContact CB-CB 3.96Å; E237-K438 HydrophobicContact CB-CD 4.35Å |
| 238 | K | 95 | Very high | 95.4 | Very high | 85 Ų | 85 | 28.7 Ų | 28.7 | 37% | 0.37 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -93.1 | -1.3 | 179 | -61.1 | -166.6 | 178.7 | -177.4 | 0 | 114 | P235 V236 F240 H241 L242 W382 | P235-K238 PolarHBondContact O-N 3.12Å; V236-K238 PolarHBondContact O-N 3.1Å; K238-F240 VanDerWaalsContact C-N 3.34Å; K238-F240 PolarHBondContact O-N 3.43Å; K238-H241 WeakPolarHBondContact O-CB 3.14Å; K238-H241 PolarHBondContact O-N 2.86Å; K238-H241 VanDerWaalsContact O-N 3.08Å; K238-L242 PolarHBondContact O-N 2.97Å; K238-L242 VanDerWaalsContact O-N 3.09Å; K238-W382 HydrophobicContact CB-CH2 3.88Å; K238-W382 HydrophobicContact CB-CZ3 3.68Å; K238-W382 HydrophobicContact CD-CE3 3.91Å; K238-W382 HydrophobicContact CD-CH2 4.03Å; K238-W382 HydrophobicContact CD-CZ3 3.56Å; K238-W382 HydrophobicContact CG-CZ3 4.26Å |
| 239 | R | 94.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | -176.1 | -74.8 | 174.8 | 71.6 | 174.7 | -10.1 | 112.3 | C234 P235 V236 H241 L242 L243 F327 D328 I356 Y413 | C234-R239 HydrophobicContact CB-CG 4.14Å; C234-R239 VanDerWaalsContact SG-CA 3.6Å; C234-R239 VanDerWaalsContact SG-CG 3.59Å; P235-R239 PolarHBondContact O-N 3.24Å; V236-R239 WeakPolarHBondContact O-CB 3.42Å; V236-R239 WeakPolarHBondContact O-CG 3.07Å; V236-R239 PolarHBondContact O-N 3.32Å; V236-R239 VanDerWaalsContact O-N 3.16Å; R239-H241 VanDerWaalsContact C-N 3.31Å; R239-H241 PolarHBondContact O-N 3.47Å; R239-L242 PolarHBondContact O-N 3.41Å; R239-L243 PolarHBondContact O-N 3.38Å; R239-F327 HydrophobicContact CB-CE2 3.82Å; R239-F327 HydrophobicContact CB-CZ 3.77Å; R239-F327 PolarHBondContact NH2-O 2.69Å; R239-F327 WeakPolarHBondContact O-CE2 3.45Å; R239-D328 IonicContact CZ-OD1 3.95Å; R239-D328 IonicContact NH2-OD1 3.43Å; R239-D328 PolarHBondContact NH2-OD1 3.46Å; R239-I356 HydrophobicContact CG-CG2 4.16Å; R239-Y413 PolarHBondContact NH1-OH 3.23Å |
| 240 | F | 96.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 177.1 | -177 | -102.6 | 0 | 0 | 0 | 112.3 | K238 L242 L243 Y244 L271 F272 I275 I388 L392 S439 | K238-F240 VanDerWaalsContact C-N 3.34Å; K238-F240 PolarHBondContact O-N 3.43Å; F240-L242 VanDerWaalsContact C-N 3.33Å; F240-L242 PolarHBondContact O-N 3.42Å; F240-L243 PolarHBondContact O-N 3.48Å; F240-Y244 VanDerWaalsContact O-CB 3.3Å; F240-Y244 WeakPolarHBondContact O-CB 3.3Å; F240-Y244 PolarHBondContact O-N 3.3Å; F240-L271 HydrophobicContact CD2-CD2 4.3Å; F240-L271 HydrophobicContact CE1-CD2 4.13Å; F240-L271 HydrophobicContact CE2-CD2 3.43Å; F240-L271 VanDerWaalsContact CE2-CD2 3.43Å; F240-L271 HydrophobicContact CE2-CG 4.31Å; F240-L271 HydrophobicContact CZ-CD2 3.33Å; F240-L271 HydrophobicContact CZ-CG 4Å; F240-F272 HydrophobicContact CD2-CZ 4.39Å; F240-F272 AromaticContact CE2-CE1 3.85Å; F240-F272 HydrophobicContact CE2-CE1 3.85Å; F240-F272 HydrophobicContact CE2-CE2 4.37Å; F240-F272 AromaticContact CE2-CZ 3.63Å; F240-F272 HydrophobicContact CE2-CZ 3.63Å; F240-F272 HydrophobicContact CZ-CE1 4.03Å; F240-F272 HydrophobicContact CZ-CZ 4.29Å; F240-I275 HydrophobicContact CZ-CD1 4.29Å; F240-I388 HydrophobicContact CD1-CD1 3.72Å; F240-I388 HydrophobicContact CE1-CD1 3.51Å; F240-L392 HydrophobicContact CB-CD2 4.5Å; F240-L392 HydrophobicContact CD1-CD1 4.2Å; F240-L392 HydrophobicContact CD1-CD2 3.64Å; F240-L392 HydrophobicContact CD1-CG 4.43Å; F240-L392 HydrophobicContact CE1-CD1 3.87Å; F240-L392 HydrophobicContact CE1-CD2 4.16Å; F240-L392 HydrophobicContact CE1-CG 4.49Å; F240-L392 HydrophobicContact CG-CD2 4.19Å; F240-L392 HydrophobicContact CZ-CD1 4.39Å; F240-S439 WeakPolarHBondContact CB-O 3.3Å |
| 241 | H | 95.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 178 | -61.6 | -164.9 | 0 | 0 | 0 | 111.4 | K238 R239 T245 V385 D387 I388 Q389 | K238-H241 WeakPolarHBondContact O-CB 3.14Å; K238-H241 PolarHBondContact O-N 2.86Å; K238-H241 VanDerWaalsContact O-N 3.08Å; R239-H241 VanDerWaalsContact C-N 3.31Å; R239-H241 PolarHBondContact O-N 3.47Å; H241-T245 VanDerWaalsContact O-CB 3.32Å; H241-T245 WeakPolarHBondContact O-CB 3.31Å; H241-T245 PolarHBondContact O-N 3.33Å; H241-T245 PolarHBondContact O-OG1 3.12Å; H241-V385 HydrophobicContact CB-CG1 3.69Å; H241-D387 IonicContact CE1-OD1 3.76Å; H241-D387 PolarHBondContact CE1-OD1 3.41Å; H241-D387 IonicContact ND1-OD1 2.69Å; H241-I388 VanDerWaalsContact CD2-CG1 3.47Å; H241-I388 WeakPolarHBondContact CD2-CG1 3.36Å; H241-Q389 PolarHBondContact CE1-N 2.88Å; H241-Q389 WeakPolarHBondContact NE2-CA 3.38Å; H241-Q389 PolarHBondContact NE2-N 2.97Å; H241-Q389 PolarHBondContact NE2-OE1 2.91Å |
| 242 | L | 96.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -49.9 | 175.9 | 178.9 | 59.7 | 0 | 0 | 0 | 110.6 | I232 C234 K238 R239 F240 T245 F246 I356 L380 | I232-L242 HydrophobicContact CB-CD2 4.41Å; I232-L242 HydrophobicContact CD1-CD1 4.38Å; I232-L242 HydrophobicContact CD1-CD2 4.46Å; I232-L242 HydrophobicContact CG2-CD2 3.85Å; C234-L242 HydrophobicContact CB-CD2 4.08Å; K238-L242 PolarHBondContact O-N 2.97Å; K238-L242 VanDerWaalsContact O-N 3.09Å; R239-L242 PolarHBondContact O-N 3.41Å; F240-L242 VanDerWaalsContact C-N 3.33Å; F240-L242 PolarHBondContact O-N 3.42Å; L242-T245 PolarHBondContact O-N 3.23Å; L242-F246 WeakPolarHBondContact O-CB 3.31Å; L242-F246 PolarHBondContact O-N 3.06Å; L242-I356 HydrophobicContact CD2-CD1 3.81Å; L242-I356 HydrophobicContact CD2-CG1 3.96Å; L242-I356 HydrophobicContact CD2-CG2 4.29Å; L242-I356 HydrophobicContact CG-CD1 4.31Å; L242-L380 HydrophobicContact CD1-CD1 3.91Å; L242-L380 HydrophobicContact CD1-CD2 3.69Å; L242-L380 HydrophobicContact CD1-CG 4.48Å; L242-L380 HydrophobicContact CD2-CD2 4.47Å |
| 243 | L | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | -180 | -176.3 | 63.9 | 0 | 0 | 0 | 112.1 | R239 F240 T245 F246 L247 V257 F272 V325 F327 | R239-L243 PolarHBondContact O-N 3.38Å; F240-L243 PolarHBondContact O-N 3.48Å; L243-T245 PolarHBondContact O-N 2.95Å; L243-F246 PolarHBondContact O-N 2.85Å; L243-L247 HydrophobicContact CD1-CD1 3.91Å; L243-L247 HydrophobicContact CD1-CD2 4.39Å; L243-L247 HydrophobicContact CD1-CG 3.92Å; L243-L247 HydrophobicContact CG-CD1 3.92Å; L243-L247 HydrophobicContact CG-CG 4.26Å; L243-L247 WeakPolarHBondContact O-CB 3.44Å; L243-L247 VanDerWaalsContact O-CG 3.31Å; L243-L247 WeakPolarHBondContact O-CG 3.19Å; L243-L247 PolarHBondContact O-N 3.22Å; L243-V257 HydrophobicContact CD1-CG1 3.96Å; L243-V257 HydrophobicContact CD1-CG2 4.32Å; L243-V257 HydrophobicContact CD2-CG1 4.38Å; L243-F272 HydrophobicContact CD2-CE2 3.77Å; L243-F272 HydrophobicContact CD2-CZ 3.72Å; L243-F272 HydrophobicContact CG-CE2 4.26Å; L243-F272 HydrophobicContact CG-CZ 3.82Å; L243-V325 HydrophobicContact CD1-CG1 4.19Å; L243-F327 HydrophobicContact CB-CD2 3.89Å; L243-F327 HydrophobicContact CB-CE2 3.64Å; L243-F327 HydrophobicContact CB-CZ 4.48Å; L243-F327 HydrophobicContact CD1-CD2 4.15Å; L243-F327 HydrophobicContact CD2-CD1 4.36Å; L243-F327 HydrophobicContact CD2-CD2 3.73Å; L243-F327 HydrophobicContact CD2-CE1 4.43Å; L243-F327 HydrophobicContact CD2-CE2 3.83Å; L243-F327 HydrophobicContact CD2-CG 4.01Å; L243-F327 HydrophobicContact CD2-CZ 4.17Å; L243-F327 HydrophobicContact CG-CD2 4.13Å; L243-F327 HydrophobicContact CG-CE2 4.25Å |
| 244 | Y | 97.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 18% | 0.176 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.3 | -50.1 | 176.3 | 168.6 | -96.7 | 0 | 0 | 0 | 111.5 | F240 F246 L247 R248 F272 I275 I277 A386 I388 | F240-Y244 VanDerWaalsContact O-CB 3.3Å; F240-Y244 WeakPolarHBondContact O-CB 3.3Å; F240-Y244 PolarHBondContact O-N 3.3Å; Y244-F246 VanDerWaalsContact C-N 3.33Å; Y244-F246 PolarHBondContact O-N 2.77Å; Y244-L247 PolarHBondContact O-N 2.79Å; Y244-R248 HydrophobicContact CD2-CG 4.38Å; Y244-R248 HydrophobicContact CE1-CG 4.25Å; Y244-R248 HydrophobicContact CE2-CG 3.97Å; Y244-R248 WeakPolarHBondContact O-CB 3.33Å; Y244-R248 WeakPolarHBondContact O-CG 3.37Å; Y244-R248 PolarHBondContact O-N 3.48Å; Y244-F272 HydrophobicContact CD2-CE1 4.48Å; Y244-I275 HydrophobicContact CD2-CD1 3.71Å; Y244-I275 HydrophobicContact CE2-CD1 3.8Å; Y244-I277 HydrophobicContact CD2-CD1 3.62Å; Y244-I277 HydrophobicContact CE2-CD1 3.59Å; Y244-A386 HydrophobicContact CD1-CB 4.08Å; Y244-A386 HydrophobicContact CE1-CB 3.91Å; Y244-I388 HydrophobicContact CD1-CD1 3.6Å; Y244-I388 HydrophobicContact CD1-CG2 4.31Å; Y244-I388 HydrophobicContact CD2-CD1 4.17Å; Y244-I388 HydrophobicContact CE1-CD1 4.25Å; Y244-I388 HydrophobicContact CE1-CG2 4.05Å; Y244-I388 HydrophobicContact CG-CD1 3.55Å |
| 245 | T | 96.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 179.7 | -58.6 | 0 | 0 | 0 | 0 | 111 | H241 L242 L243 K249 K384 A386 | H241-T245 VanDerWaalsContact O-CB 3.32Å; H241-T245 WeakPolarHBondContact O-CB 3.31Å; H241-T245 PolarHBondContact O-N 3.33Å; H241-T245 PolarHBondContact O-OG1 3.12Å; L242-T245 PolarHBondContact O-N 3.23Å; L243-T245 PolarHBondContact O-N 2.95Å; T245-K249 HydrophobicContact CG2-CD 4.23Å; T245-K249 WeakPolarHBondContact O-CG 3.23Å; T245-K249 PolarHBondContact O-N 3.24Å; T245-K249 VanDerWaalsContact O-N 3.17Å; T245-K384 WeakPolarHBondContact CG2-O 3.33Å; T245-A386 PolarHBondContact OG1-N 3.24Å |
| 246 | F | 96.9 | Very high | 95.5 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 180 | -178.8 | -85.4 | 0 | 0 | 0 | 111.6 | L242 L243 Y244 K249 N250 V255 W323 V325 L354 | L242-F246 WeakPolarHBondContact O-CB 3.31Å; L242-F246 PolarHBondContact O-N 3.06Å; L243-F246 PolarHBondContact O-N 2.85Å; Y244-F246 VanDerWaalsContact C-N 3.33Å; Y244-F246 PolarHBondContact O-N 2.77Å; F246-K249 PolarHBondContact O-N 3.03Å; F246-N250 HydrophobicContact CE1-CB 4.5Å; F246-N250 PolarHBondContact O-N 3.19Å; F246-N250 VanDerWaalsContact O-N 3.13Å; F246-N250 PolarHBondContact O-ND2 3.27Å; F246-V255 HydrophobicContact CE1-CG1 4.2Å; F246-W323 HydrophobicContact CE1-CB 4.45Å; F246-W323 HydrophobicContact CE1-CG 4.44Å; F246-W323 HydrophobicContact CE2-CD2 4.19Å; F246-W323 AromaticContact CE2-CE3 4Å; F246-W323 HydrophobicContact CE2-CE3 4Å; F246-W323 HydrophobicContact CE2-CH2 4.5Å; F246-W323 HydrophobicContact CE2-CZ3 4.16Å; F246-W323 HydrophobicContact CZ-CB 4.18Å; F246-W323 AromaticContact CZ-CD2 3.52Å; F246-W323 HydrophobicContact CZ-CD2 3.52Å; F246-W323 AromaticContact CZ-CE3 3.56Å; F246-W323 HydrophobicContact CZ-CE3 3.56Å; F246-W323 AromaticContact CZ-CG 3.8Å; F246-W323 HydrophobicContact CZ-CG 3.8Å; F246-W323 HydrophobicContact CZ-CZ3 4.2Å; F246-V325 HydrophobicContact CD1-CG2 3.94Å; F246-V325 HydrophobicContact CE1-CG2 3.34Å; F246-V325 HydrophobicContact CZ-CG2 3.8Å; F246-L354 HydrophobicContact CD2-CD2 3.91Å; F246-L354 HydrophobicContact CE2-CD2 3.88Å; F246-L354 HydrophobicContact CZ-CD2 4.48Å |
| 247 | L | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | -179.1 | -67.4 | -178.6 | 0 | 0 | 0 | 112 | L243 Y244 K249 N250 V251 V255 V257 F272 I277 I305 | L243-L247 HydrophobicContact CD1-CD1 3.91Å; L243-L247 HydrophobicContact CD1-CD2 4.39Å; L243-L247 HydrophobicContact CD1-CG 3.92Å; L243-L247 HydrophobicContact CG-CD1 3.92Å; L243-L247 HydrophobicContact CG-CG 4.26Å; L243-L247 WeakPolarHBondContact O-CB 3.44Å; L243-L247 VanDerWaalsContact O-CG 3.31Å; L243-L247 WeakPolarHBondContact O-CG 3.19Å; L243-L247 PolarHBondContact O-N 3.22Å; Y244-L247 PolarHBondContact O-N 2.79Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.83Å; L247-N250 CarbonylContact O-C 3.46Å; L247-N250 PolarHBondContact O-N 3.4Å; L247-N250 VanDerWaalsContact O-N 3.12Å; L247-V251 PolarHBondContact O-N 3.49Å; L247-V255 HydrophobicContact CD2-CG1 3.93Å; L247-V257 HydrophobicContact CD2-CG2 3.98Å; L247-F272 HydrophobicContact CD1-CD1 4.41Å; L247-F272 HydrophobicContact CD1-CD2 4.13Å; L247-F272 HydrophobicContact CD1-CE1 3.99Å; L247-F272 HydrophobicContact CD1-CE2 3.67Å; L247-F272 HydrophobicContact CD1-CZ 3.61Å; L247-I277 HydrophobicContact CB-CG2 4.41Å; L247-I305 HydrophobicContact CB-CD1 4.06Å; L247-I305 HydrophobicContact CD1-CD1 4.49Å; L247-I305 HydrophobicContact CD1-CG2 4.22Å; L247-I305 HydrophobicContact CD2-CD1 4.01Å; L247-I305 HydrophobicContact CD2-CG1 4.17Å; L247-I305 HydrophobicContact CD2-CG2 3.89Å; L247-I305 HydrophobicContact CG-CD1 4.4Å |
| 248 | R | 95.9 | Very high | 95.7 | Very high | 150 Ų | 150 | 39.5 Ų | 39.5 | 57% | 0.566 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -56.2 | -43.8 | 173 | -83.9 | -84.1 | -78.3 | -172.4 | -4.5 | 112.2 | Y244 N250 I277 | Y244-R248 HydrophobicContact CD2-CG 4.38Å; Y244-R248 HydrophobicContact CE1-CG 4.25Å; Y244-R248 HydrophobicContact CE2-CG 3.97Å; Y244-R248 WeakPolarHBondContact O-CB 3.33Å; Y244-R248 WeakPolarHBondContact O-CG 3.37Å; Y244-R248 PolarHBondContact O-N 3.48Å; R248-N250 VanDerWaalsContact C-N 3.3Å; R248-N250 PolarHBondContact O-N 3.3Å; R248-I277 HydrophobicContact CG-CD1 3.61Å; R248-I277 HydrophobicContact CG-CG1 4.3Å |
| 249 | K | 95.4 | Very high | 95.8 | Very high | 131 Ų | 131 | 35.4 Ų | 35.4 | 57% | 0.57 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -72 | -22.9 | 179.4 | -71.8 | 176.7 | -177.8 | 170.8 | 0 | 113.3 | T245 F246 L247 K384 | T245-K249 HydrophobicContact CG2-CD 4.23Å; T245-K249 WeakPolarHBondContact O-CG 3.23Å; T245-K249 PolarHBondContact O-N 3.24Å; T245-K249 VanDerWaalsContact O-N 3.17Å; F246-K249 PolarHBondContact O-N 3.03Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.83Å; K249-K384 PolarHBondContact NZ-O 3.32Å |
| 250 | N | 95.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 22.5 | -174.6 | -64.8 | -77.5 | 0 | 0 | 0 | 113.3 | F246 L247 R248 K252 K253 V255 | F246-N250 HydrophobicContact CE1-CB 4.5Å; F246-N250 PolarHBondContact O-N 3.19Å; F246-N250 VanDerWaalsContact O-N 3.13Å; F246-N250 PolarHBondContact O-ND2 3.27Å; L247-N250 CarbonylContact O-C 3.46Å; L247-N250 PolarHBondContact O-N 3.4Å; L247-N250 VanDerWaalsContact O-N 3.12Å; R248-N250 VanDerWaalsContact C-N 3.3Å; R248-N250 PolarHBondContact O-N 3.3Å; N250-K252 PolarHBondContact O-N 3.21Å; N250-K252 VanDerWaalsContact O-N 3.16Å; N250-K253 HydrophobicContact CB-CB 4.38Å; N250-K253 HydrophobicContact CB-CD 4.3Å; N250-K253 WeakPolarHBondContact O-CB 3.47Å; N250-K253 PolarHBondContact O-N 2.94Å; N250-K253 WeakPolarHBondContact OD1-CD 3.42Å; N250-K253 WeakPolarHBondContact OD1-CE 3.49Å; N250-K253 PolarHBondContact OD1-NZ 2.71Å; N250-V255 HydrophobicContact CB-CG2 4.17Å |
| 251 | V | 94.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 36% | 0.358 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.3 | -178.5 | 73.9 | 0 | 0 | 0 | 0 | 113.6 | L247 K253 | L247-V251 PolarHBondContact O-N 3.49Å; V251-K253 VanDerWaalsContact C-N 3.32Å |
| 252 | K | 94.5 | Very high | 95.6 | Very high | 187 Ų | 187 | 38.5 Ų | 38.5 | 81% | 0.813 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 8.7 | 176.6 | -61 | -173 | 178.9 | -176.3 | 0 | 113.7 | N250 H303 | N250-K252 PolarHBondContact O-N 3.21Å; N250-K252 VanDerWaalsContact O-N 3.16Å; K252-H303 WeakPolarHBondContact O-CB 3.39Å |
| 253 | K | 94.2 | Very high | 95.6 | Very high | 80 Ų | 80 | 39.5 Ų | 39.5 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -112.9 | 163.8 | 178.4 | -64.4 | -170.4 | -171 | 162 | 0 | 110.4 | N250 V251 V255 G304 D322 | N250-K253 HydrophobicContact CB-CB 4.38Å; N250-K253 HydrophobicContact CB-CD 4.3Å; N250-K253 WeakPolarHBondContact O-CB 3.47Å; N250-K253 PolarHBondContact O-N 2.94Å; N250-K253 WeakPolarHBondContact OD1-CD 3.42Å; N250-K253 WeakPolarHBondContact OD1-CE 3.49Å; N250-K253 PolarHBondContact OD1-NZ 2.71Å; V251-K253 VanDerWaalsContact C-N 3.32Å; K253-V255 HydrophobicContact CB-CG2 4.18Å; K253-G304 PolarHBondContact O-N 3.43Å; K253-D322 WeakPolarHBondContact CA-OD2 3.34Å; K253-D322 HydrophobicContact CB-CB 4.07Å; K253-D322 WeakPolarHBondContact CB-OD2 3.39Å; K253-D322 HydrophobicContact CD-CB 4.24Å |
| 254 | K | 93.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 108.9 | 170.9 | -161 | 169.2 | -169.2 | 165.7 | 0 | 109.5 | F298 C299 A301 G304 P319 R320 V321 D322 W323 | K254-F298 HydrophobicContact CD-CZ 4.49Å; K254-F298 WeakPolarHBondContact CE-O 3.42Å; K254-F298 HydrophobicContact CG-CE1 4.21Å; K254-F298 HydrophobicContact CG-CE2 4.09Å; K254-F298 HydrophobicContact CG-CZ 3.64Å; K254-F298 PolarHBondContact NZ-O 3.37Å; K254-C299 PolarHBondContact NZ-O 3.01Å; K254-A301 WeakPolarHBondContact CE-O 3.38Å; K254-A301 PolarHBondContact NZ-O 3.25Å; K254-G304 CarbonylContact C-O 3.59Å; K254-G304 WeakPolarHBondContact CA-O 3.47Å; K254-P319 PolarHBondContact NZ-O 3.45Å; K254-R320 WeakPolarHBondContact CD-O 3.5Å; K254-V321 WeakPolarHBondContact O-CG1 3.3Å; K254-D322 PolarHBondContact N-OD2 2.86Å; K254-D322 WeakPolarHBondContact O-CB 3.32Å; K254-D322 PolarHBondContact O-N 3.27Å; K254-W323 PolarHBondContact O-N 3.34Å |
| 255 | V | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133 | -173.2 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | F246 L247 N250 K253 V257 F298 G304 I305 L306 W323 V325 | F246-V255 HydrophobicContact CE1-CG1 4.2Å; L247-V255 HydrophobicContact CD2-CG1 3.93Å; N250-V255 HydrophobicContact CB-CG2 4.17Å; K253-V255 HydrophobicContact CB-CG2 4.18Å; V255-V257 HydrophobicContact CG1-CG2 4.15Å; V255-F298 WeakPolarHBondContact O-CZ 3.43Å; V255-G304 PolarHBondContact N-O 3.27Å; V255-I305 HydrophobicContact CB-CG1 4.24Å; V255-I305 CarbonylContact O-C 3.51Å; V255-I305 WeakPolarHBondContact O-CA 3.33Å; V255-L306 PolarHBondContact O-N 3.1Å; V255-W323 WeakPolarHBondContact CA-O 3.14Å; V255-W323 HydrophobicContact CB-CB 4.48Å; V255-W323 HydrophobicContact CG1-CB 4.03Å; V255-W323 HydrophobicContact CG2-CB 4.22Å; V255-V325 HydrophobicContact CG1-CG2 3.93Å |
| 256 | M | 94.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 134.7 | 165.7 | -66.2 | 178.9 | 63.6 | 0 | 0 | 110 | F258 F298 L306 I318 V321 W323 I324 V325 R342 | M256-F258 HydrophobicContact CB-CE2 4.12Å; M256-F258 HydrophobicContact CE-CE2 3.95Å; M256-F258 HydrophobicContact CE-CZ 3.71Å; M256-F298 HydrophobicContact CG-CE1 3.81Å; M256-F298 HydrophobicContact CG-CZ 4.07Å; M256-F298 HydrophobicContact SD-CE1 4.46Å; M256-L306 CarbonylContact C-O 3.53Å; M256-L306 WeakPolarHBondContact CA-O 3.49Å; M256-L306 HydrophobicContact CE-CD2 4.16Å; M256-L306 HydrophobicContact CG-CB 4.36Å; M256-L306 HydrophobicContact CG-CD2 4.38Å; M256-I318 HydrophobicContact CE-CD1 3.41Å; M256-I318 VanDerWaalsContact CE-CD1 3.41Å; M256-I318 HydrophobicContact CG-CD1 4.44Å; M256-I318 HydrophobicContact SD-CB 4.27Å; M256-I318 HydrophobicContact SD-CD1 3.36Å; M256-I318 WeakPolarHBondContact SD-CD1 3.12Å; M256-I318 HydrophobicContact SD-CG1 4.38Å; M256-I318 HydrophobicContact SD-CG2 4.4Å; M256-V321 HydrophobicContact CB-CG1 4.37Å; M256-V321 HydrophobicContact CG-CG1 3.89Å; M256-V321 HydrophobicContact CG-CG2 4.23Å; M256-V321 HydrophobicContact SD-CG1 4.3Å; M256-V321 HydrophobicContact SD-CG2 3.83Å; M256-W323 PolarHBondContact N-O 3.07Å; M256-I324 HydrophobicContact CB-CD1 3.89Å; M256-I324 HydrophobicContact CG-CD1 4.24Å; M256-I324 HydrophobicContact SD-CD1 3.89Å; M256-V325 PolarHBondContact O-N 2.95Å; M256-R342 HydrophobicContact SD-CB 4.36Å |
| 257 | V | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122 | 176.9 | -169.6 | 0 | 0 | 0 | 0 | 108.9 | L243 L247 V255 L259 I305 L306 L307 C308 V325 F327 | L243-V257 HydrophobicContact CD1-CG1 3.96Å; L243-V257 HydrophobicContact CD1-CG2 4.32Å; L243-V257 HydrophobicContact CD2-CG1 4.38Å; L247-V257 HydrophobicContact CD2-CG2 3.98Å; V255-V257 HydrophobicContact CG1-CG2 4.15Å; V257-L259 HydrophobicContact CB-CD1 4.43Å; V257-L259 HydrophobicContact CG1-CD1 4.06Å; V257-I305 HydrophobicContact CG2-CG2 4.18Å; V257-L306 PolarHBondContact N-O 3.5Å; V257-L307 HydrophobicContact CB-CD2 3.57Å; V257-L307 HydrophobicContact CG1-CD2 4.28Å; V257-L307 HydrophobicContact CG2-CD2 3.66Å; V257-L307 WeakPolarHBondContact O-CA 3.44Å; V257-C308 PolarHBondContact O-N 2.88Å; V257-V325 CarbonylContact C-O 3.52Å; V257-V325 VanDerWaalsContact CA-O 3.27Å; V257-V325 WeakPolarHBondContact CA-O 3.24Å; V257-V325 HydrophobicContact CG1-CB 4.3Å; V257-V325 HydrophobicContact CG1-CG1 4.28Å; V257-V325 HydrophobicContact CG2-CB 4.24Å; V257-F327 HydrophobicContact CG1-CB 3.65Å |
| 258 | F | 96.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.3 | 177.7 | -70.3 | -101 | 0 | 0 | 0 | 110.3 | M256 C308 S313 I324 V325 F327 D328 R339 | M256-F258 HydrophobicContact CB-CE2 4.12Å; M256-F258 HydrophobicContact CE-CE2 3.95Å; M256-F258 HydrophobicContact CE-CZ 3.71Å; F258-C308 CarbonylContact C-O 3.54Å; F258-C308 VanDerWaalsContact CA-O 3.32Å; F258-C308 WeakPolarHBondContact CA-O 3.46Å; F258-S313 WeakPolarHBondContact CE1-OG 3.37Å; F258-I324 HydrophobicContact CD2-CG2 4.01Å; F258-I324 HydrophobicContact CE2-CD1 4.42Å; F258-I324 HydrophobicContact CE2-CG2 3.72Å; F258-V325 PolarHBondContact N-O 2.93Å; F258-F327 WeakPolarHBondContact O-CB 3.29Å; F258-F327 PolarHBondContact O-N 3.1Å; F258-F327 VanDerWaalsContact O-N 3.1Å; F258-D328 PolarHBondContact O-N 2.86Å; F258-D328 VanDerWaalsContact O-N 3.17Å; F258-R339 HydrophobicContact CD1-CB 4.46Å; F258-R339 HydrophobicContact CD1-CG 3.67Å; F258-R339 HydrophobicContact CD2-CB 4.43Å; F258-R339 HydrophobicContact CD2-CG 4.41Å; F258-R339 HydrophobicContact CE1-CB 4.07Å; F258-R339 HydrophobicContact CE1-CG 3.51Å; F258-R339 HydrophobicContact CE2-CB 4.1Å; F258-R339 HydrophobicContact CE2-CG 4.33Å; F258-R339 HydrophobicContact CG-CG 4.11Å; F258-R339 HydrophobicContact CZ-CB 3.89Å; F258-R339 HydrophobicContact CZ-CG 3.89Å |
| 259 | L | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -122.8 | 151.2 | 174.6 | -57.5 | 97.1 | 0 | 0 | 0 | 110.2 | V257 S261 V265 H268 L307 C308 T309 F327 D328 | V257-L259 HydrophobicContact CB-CD1 4.43Å; V257-L259 HydrophobicContact CG1-CD1 4.06Å; L259-S261 PolarHBondContact O-N 3.42Å; L259-V265 HydrophobicContact CB-CG2 3.89Å; L259-V265 HydrophobicContact CD1-CG2 3.96Å; L259-V265 HydrophobicContact CG-CG2 4.49Å; L259-H268 HydrophobicContact CD2-CB 4.23Å; L259-H268 VanDerWaalsContact CD2-ND1 3.29Å; L259-H268 WeakPolarHBondContact CD2-ND1 3.33Å; L259-L307 HydrophobicContact CD1-CB 4.08Å; L259-C308 PolarHBondContact N-O 3.39Å; L259-T309 WeakPolarHBondContact O-CA 3.47Å; L259-F327 HydrophobicContact CD2-CD1 3.89Å; L259-F327 HydrophobicContact CD2-CE1 4.41Å; L259-F327 HydrophobicContact CG-CD1 4.18Å; L259-D328 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 260 | S | 92.4 | Very high | 95.9 | Very high | 39 Ų | 39 | 31.3 Ų | 31.3 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -64.9 | -32.8 | -173.8 | 51.4 | 0 | 0 | 0 | 0 | 114 | D328 | S260-D328 VanDerWaalsContact CB-OD2 3.24Å; S260-D328 WeakPolarHBondContact CB-OD2 3.31Å; S260-D328 PolarHBondContact N-OD2 3.2Å; S260-D328 PolarHBondContact OG-OD2 3.02Å |
| 261 | S | 94.1 | Very high | 96 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 11% | 0.105 | 16% | 0.156 | C | C | . | . | trans | -134.5 | 152 | -171.8 | 92.4 | 0 | 0 | 0 | 0 | 114.1 | L259 A263 S264 V265 T309 | L259-S261 PolarHBondContact O-N 3.42Å; S261-A263 PolarHBondContact O-N 3.21Å; S261-A263 PolarHBondContact OG-N 3.35Å; S261-S264 PolarHBondContact O-N 3.01Å; S261-S264 WeakPolarHBondContact OG-CB 3.28Å; S261-S264 PolarHBondContact OG-N 3.06Å; S261-S264 PolarHBondContact OG-OG 3.13Å; S261-V265 WeakPolarHBondContact O-CG2 3.47Å; S261-V265 PolarHBondContact O-N 3.23Å; S261-T309 VanDerWaalsContact C-CG2 3.4Å | ||
| 262 | C | 94.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 27.8 Ų | 27.8 | 20% | 0.196 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.4 | -34.4 | 174.1 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | K266 H283 K285 | C262-K266 WeakPolarHBondContact O-CB 3.18Å; C262-K266 PolarHBondContact O-N 3.09Å; C262-H283 HydrophobicContact CB-CB 4.13Å; C262-K285 HydrophobicContact CB-CD 4.41Å; C262-K285 HydrophobicContact CB-CG 4.35Å |
| 263 | A | 96.5 | Very high | 96.4 | Very high | 28 Ų | 28 | 22.2 Ų | 22.2 | 23% | 0.231 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.2 | -41.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | S261 K266 Y267 E408 | S261-A263 PolarHBondContact O-N 3.21Å; S261-A263 PolarHBondContact OG-N 3.35Å; A263-K266 PolarHBondContact O-N 2.91Å; A263-Y267 WeakPolarHBondContact O-CB 3.26Å; A263-Y267 PolarHBondContact O-N 3.45Å; A263-E408 HydrophobicContact CB-CB 4.45Å; A263-E408 WeakPolarHBondContact CB-O 3.5Å |
| 264 | S | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 173.1 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | S261 K266 Y267 H268 A409 | S261-S264 PolarHBondContact O-N 3.01Å; S261-S264 WeakPolarHBondContact OG-CB 3.28Å; S261-S264 PolarHBondContact OG-N 3.06Å; S261-S264 PolarHBondContact OG-OG 3.13Å; S264-K266 VanDerWaalsContact C-N 3.33Å; S264-K266 PolarHBondContact O-N 3.46Å; S264-Y267 PolarHBondContact O-N 3.33Å; S264-H268 WeakPolarHBondContact O-CB 3.27Å; S264-H268 PolarHBondContact O-N 3.36Å; S264-H268 PolarHBondContact O-ND1 3.17Å; S264-A409 PolarHBondContact OG-O 3.44Å |
| 265 | V | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.8 | -45.4 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | L259 S261 N269 C281 H283 L307 C308 T309 | L259-V265 HydrophobicContact CB-CG2 3.89Å; L259-V265 HydrophobicContact CD1-CG2 3.96Å; L259-V265 HydrophobicContact CG-CG2 4.49Å; S261-V265 WeakPolarHBondContact O-CG2 3.47Å; S261-V265 PolarHBondContact O-N 3.23Å; V265-N269 VanDerWaalsContact O-CB 3.3Å; V265-N269 WeakPolarHBondContact O-CB 3.02Å; V265-N269 PolarHBondContact O-N 3.11Å; V265-N269 VanDerWaalsContact O-N 3.09Å; V265-C281 HydrophobicContact CG1-CB 3.52Å; V265-H283 HydrophobicContact CB-CB 4.29Å; V265-H283 HydrophobicContact CG1-CB 4.09Å; V265-L307 HydrophobicContact CG1-CB 4.14Å; V265-L307 WeakPolarHBondContact CG1-O 3.38Å; V265-C308 VanDerWaalsContact CG2-C 3.48Å; V265-T309 HydrophobicContact CG2-CG2 3.59Å |
| 266 | K | 97.5 | Very high | 96.5 | Very high | 100 Ų | 100 | 33.3 Ų | 33.3 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.4 | -51 | 180 | -179.7 | -177.4 | 170.8 | -173.5 | 0 | 111.6 | C262 A263 S264 N269 E270 | C262-K266 WeakPolarHBondContact O-CB 3.18Å; C262-K266 PolarHBondContact O-N 3.09Å; A263-K266 PolarHBondContact O-N 2.91Å; S264-K266 VanDerWaalsContact C-N 3.33Å; S264-K266 PolarHBondContact O-N 3.46Å; K266-N269 WeakPolarHBondContact O-CB 3.24Å; K266-N269 PolarHBondContact O-N 3.35Å; K266-E270 WeakPolarHBondContact CE-OE1 3.29Å; K266-E270 IonicContact NZ-OE1 3.67Å; K266-E270 WeakPolarHBondContact O-CG 3.49Å; K266-E270 PolarHBondContact O-N 3.06Å |
| 267 | Y | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -50.8 | -179.5 | 162.7 | -115.1 | 0 | 0 | 0 | 112.2 | A263 S264 N269 E270 L271 I396 S405 A406 A409 F440 | A263-Y267 WeakPolarHBondContact O-CB 3.26Å; A263-Y267 PolarHBondContact O-N 3.45Å; S264-Y267 PolarHBondContact O-N 3.33Å; Y267-N269 VanDerWaalsContact C-N 3.27Å; Y267-N269 PolarHBondContact O-N 3.06Å; Y267-E270 PolarHBondContact O-N 3.27Å; Y267-E270 VanDerWaalsContact O-N 3.16Å; Y267-L271 HydrophobicContact CE1-CD2 4.22Å; Y267-L271 HydrophobicContact CE2-CB 4.22Å; Y267-L271 HydrophobicContact CE2-CD2 4.11Å; Y267-L271 WeakPolarHBondContact O-CB 3.37Å; Y267-L271 PolarHBondContact O-N 3.2Å; Y267-L271 WeakPolarHBondContact OH-CD2 3.27Å; Y267-I396 HydrophobicContact CE2-CD1 3.81Å; Y267-S405 WeakPolarHBondContact CA-OG 3.31Å; Y267-A406 HydrophobicContact CD2-CB 3.83Å; Y267-A406 HydrophobicContact CE2-CB 3.44Å; Y267-A406 VanDerWaalsContact CE2-CB 3.44Å; Y267-A409 VanDerWaalsContact CB-CB 3.4Å; Y267-A409 HydrophobicContact CD1-CB 3.78Å; Y267-A409 HydrophobicContact CG-CB 3.77Å; Y267-F440 AromaticContact CD1-CD1 3.77Å; Y267-F440 HydrophobicContact CD1-CD1 3.77Å; Y267-F440 HydrophobicContact CD1-CE1 4.1Å; Y267-F440 AromaticContact CE1-CD1 3.57Å; Y267-F440 HydrophobicContact CE1-CD1 3.57Å; Y267-F440 HydrophobicContact CE1-CE1 4.25Å; Y267-F440 HydrophobicContact CE1-CG 4.47Å; Y267-F440 PolarHBondContact OH-O 2.85Å; Y267-F440 VanDerWaalsContact OH-O 3.1Å |
| 268 | H | 98.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | -179.6 | -71.2 | 84.6 | 0 | 0 | 0 | 111.2 | L259 S264 L271 F272 L307 F327 F440 | L259-H268 HydrophobicContact CD2-CB 4.23Å; L259-H268 VanDerWaalsContact CD2-ND1 3.29Å; L259-H268 WeakPolarHBondContact CD2-ND1 3.33Å; S264-H268 WeakPolarHBondContact O-CB 3.27Å; S264-H268 PolarHBondContact O-N 3.36Å; S264-H268 PolarHBondContact O-ND1 3.17Å; H268-L271 PolarHBondContact O-N 3.02Å; H268-F272 HydrophobicContact CB-CD2 4.16Å; H268-F272 HydrophobicContact CB-CE2 4.06Å; H268-F272 VanDerWaalsContact O-CB 3.31Å; H268-F272 WeakPolarHBondContact O-CB 3.49Å; H268-F272 WeakPolarHBondContact O-CD2 3.38Å; H268-F272 WeakPolarHBondContact O-CG 3.47Å; H268-F272 PolarHBondContact O-N 2.94Å; H268-L307 HydrophobicContact CB-CD1 3.84Å; H268-F327 AromaticContact NE2-CE1 3.85Å; H268-F440 AromaticContact CE1-CE1 3.89Å |
| 269 | N | 98.2 | Very high | 96.7 | Very high | 28 Ų | 28 | 38 Ų | 38 | 15% | 0.15 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -48.1 | 174.2 | -176.1 | 94.7 | 0 | 0 | 0 | 111.8 | V265 K266 Y267 N273 T279 V280 C281 L307 | V265-N269 VanDerWaalsContact O-CB 3.3Å; V265-N269 WeakPolarHBondContact O-CB 3.02Å; V265-N269 PolarHBondContact O-N 3.11Å; V265-N269 VanDerWaalsContact O-N 3.09Å; K266-N269 WeakPolarHBondContact O-CB 3.24Å; K266-N269 PolarHBondContact O-N 3.35Å; Y267-N269 VanDerWaalsContact C-N 3.27Å; Y267-N269 PolarHBondContact O-N 3.06Å; N269-N273 PolarHBondContact ND2-ND2 3.4Å; N269-N273 WeakPolarHBondContact O-CB 3.46Å; N269-N273 PolarHBondContact O-N 3.43Å; N269-N273 VanDerWaalsContact O-N 3.1Å; N269-N273 PolarHBondContact O-ND2 3.09Å; N269-T279 PolarHBondContact O-OG1 3.17Å; N269-T279 PolarHBondContact OD1-O 2.83Å; N269-T279 VanDerWaalsContact OD1-O 3.12Å; N269-T279 PolarHBondContact OD1-OG1 3.06Å; N269-V280 VanDerWaalsContact OD1-C 3.24Å; N269-V280 WeakPolarHBondContact OD1-CA 3.01Å; N269-C281 HydrophobicContact CB-CB 3.83Å; N269-C281 WeakPolarHBondContact OD1-CB 3.25Å; N269-C281 PolarHBondContact OD1-N 2.79Å; N269-L307 HydrophobicContact CB-CD1 3.92Å; N269-L307 VanDerWaalsContact N-CD1 3.3Å |
| 270 | E | 98.2 | Very high | 96.6 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 178.9 | -71.4 | 169.5 | 170.5 | 0 | 0 | 111.3 | K266 Y267 Y274 L402 S405 | K266-E270 WeakPolarHBondContact CE-OE1 3.29Å; K266-E270 IonicContact NZ-OE1 3.67Å; K266-E270 WeakPolarHBondContact O-CG 3.49Å; K266-E270 PolarHBondContact O-N 3.06Å; Y267-E270 PolarHBondContact O-N 3.27Å; Y267-E270 VanDerWaalsContact O-N 3.16Å; E270-Y274 WeakPolarHBondContact O-CB 3.45Å; E270-Y274 PolarHBondContact O-N 3.38Å; E270-L402 HydrophobicContact CB-CD2 3.91Å; E270-S405 WeakPolarHBondContact OE2-CB 3.42Å; E270-S405 PolarHBondContact OE2-OG 3.28Å |
| 271 | L | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -50.2 | 178.5 | 177.2 | 58.9 | 0 | 0 | 0 | 112 | F240 Y267 H268 N273 Y274 I275 L392 L395 I396 L402 | F240-L271 HydrophobicContact CD2-CD2 4.3Å; F240-L271 HydrophobicContact CE1-CD2 4.13Å; F240-L271 HydrophobicContact CE2-CD2 3.43Å; F240-L271 VanDerWaalsContact CE2-CD2 3.43Å; F240-L271 HydrophobicContact CE2-CG 4.31Å; F240-L271 HydrophobicContact CZ-CD2 3.33Å; F240-L271 HydrophobicContact CZ-CG 4Å; Y267-L271 HydrophobicContact CE1-CD2 4.22Å; Y267-L271 HydrophobicContact CE2-CB 4.22Å; Y267-L271 HydrophobicContact CE2-CD2 4.11Å; Y267-L271 WeakPolarHBondContact O-CB 3.37Å; Y267-L271 PolarHBondContact O-N 3.2Å; Y267-L271 WeakPolarHBondContact OH-CD2 3.27Å; H268-L271 PolarHBondContact O-N 3.02Å; L271-N273 PolarHBondContact O-N 3.41Å; L271-Y274 WeakPolarHBondContact O-CB 3.49Å; L271-Y274 PolarHBondContact O-N 2.62Å; L271-Y274 VanDerWaalsContact O-N 3.14Å; L271-I275 HydrophobicContact CD1-CG2 4.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.24Å; L271-I275 PolarHBondContact O-N 3Å; L271-L392 HydrophobicContact CD1-CD1 4.28Å; L271-L392 HydrophobicContact CD2-CD1 3.76Å; L271-L395 HydrophobicContact CD1-CD2 3.59Å; L271-I396 HydrophobicContact CD1-CD1 4.47Å; L271-L402 HydrophobicContact CB-CD2 4.41Å; L271-L402 HydrophobicContact CD1-CD1 4.36Å |
| 272 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | -179.2 | -77.6 | -53.6 | 0 | 0 | 0 | 112 | F240 L243 Y244 L247 H268 Y274 I275 N276 I277 T279 L307 | F240-F272 HydrophobicContact CD2-CZ 4.39Å; F240-F272 AromaticContact CE2-CE1 3.85Å; F240-F272 HydrophobicContact CE2-CE1 3.85Å; F240-F272 HydrophobicContact CE2-CE2 4.37Å; F240-F272 AromaticContact CE2-CZ 3.63Å; F240-F272 HydrophobicContact CE2-CZ 3.63Å; F240-F272 HydrophobicContact CZ-CE1 4.03Å; F240-F272 HydrophobicContact CZ-CZ 4.29Å; L243-F272 HydrophobicContact CD2-CE2 3.77Å; L243-F272 HydrophobicContact CD2-CZ 3.72Å; L243-F272 HydrophobicContact CG-CE2 4.26Å; L243-F272 HydrophobicContact CG-CZ 3.82Å; Y244-F272 HydrophobicContact CD2-CE1 4.48Å; L247-F272 HydrophobicContact CD1-CD1 4.41Å; L247-F272 HydrophobicContact CD1-CD2 4.13Å; L247-F272 HydrophobicContact CD1-CE1 3.99Å; L247-F272 HydrophobicContact CD1-CE2 3.67Å; L247-F272 HydrophobicContact CD1-CZ 3.61Å; H268-F272 HydrophobicContact CB-CD2 4.16Å; H268-F272 HydrophobicContact CB-CE2 4.06Å; H268-F272 VanDerWaalsContact O-CB 3.31Å; H268-F272 WeakPolarHBondContact O-CB 3.49Å; H268-F272 WeakPolarHBondContact O-CD2 3.38Å; H268-F272 WeakPolarHBondContact O-CG 3.47Å; H268-F272 PolarHBondContact O-N 2.94Å; F272-Y274 VanDerWaalsContact C-N 3.32Å; F272-Y274 PolarHBondContact O-N 3.12Å; F272-I275 HydrophobicContact CD1-CD1 4.02Å; F272-I275 HydrophobicContact CD1-CG1 4.46Å; F272-I275 HydrophobicContact CE1-CD1 4.45Å; F272-I275 CarbonylContact O-C 3.59Å; F272-I275 WeakPolarHBondContact O-CG1 3.21Å; F272-I275 PolarHBondContact O-N 3.36Å; F272-N276 PolarHBondContact O-N 2.98Å; F272-I277 CarbonylContact C-O 3.41Å; F272-I277 HydrophobicContact CB-CB 4.17Å; F272-I277 HydrophobicContact CB-CG2 4.44Å; F272-I277 WeakPolarHBondContact CB-O 3.25Å; F272-I277 HydrophobicContact CD1-CB 4.16Å; F272-I277 HydrophobicContact CD1-CD1 3.91Å; F272-I277 HydrophobicContact CD1-CG2 4.28Å; F272-I277 HydrophobicContact CE1-CD1 4.33Å; F272-I277 CarbonylContact O-C 3.54Å; F272-I277 WeakPolarHBondContact O-CA 3.33Å; F272-I277 PolarHBondContact O-N 2.84Å; F272-T279 HydrophobicContact CB-CG2 3.6Å; F272-T279 HydrophobicContact CD2-CG2 4.11Å; F272-T279 HydrophobicContact CG-CG2 4.06Å; F272-L307 HydrophobicContact CD2-CD1 4.06Å |
| 273 | N | 97.7 | Very high | 96.5 | Very high | 69 Ų | 69 | 37.9 Ų | 37.9 | 37% | 0.369 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.8 | -36.3 | 175.3 | -77.9 | -75.1 | 0 | 0 | 0 | 112 | N269 L271 I275 N276 I277 T279 | N269-N273 PolarHBondContact ND2-ND2 3.4Å; N269-N273 WeakPolarHBondContact O-CB 3.46Å; N269-N273 PolarHBondContact O-N 3.43Å; N269-N273 VanDerWaalsContact O-N 3.1Å; N269-N273 PolarHBondContact O-ND2 3.09Å; L271-N273 PolarHBondContact O-N 3.41Å; N273-I275 VanDerWaalsContact C-N 3.32Å; N273-I275 PolarHBondContact O-N 3.27Å; N273-N276 PolarHBondContact O-N 3Å; N273-I277 PolarHBondContact N-O 2.76Å; N273-T279 PolarHBondContact ND2-O 2.66Å; N273-T279 PolarHBondContact ND2-OG1 2.96Å; N273-T279 PolarHBondContact OD1-N 3.1Å |
| 274 | Y | 96.8 | Very high | 95.9 | Very high | 131 Ų | 131 | 38.7 Ų | 38.7 | 51% | 0.514 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 175.9 | -170 | -85.3 | 0 | 0 | 0 | 112.6 | E270 L271 F272 N276 L395 N399 L402 | E270-Y274 WeakPolarHBondContact O-CB 3.45Å; E270-Y274 PolarHBondContact O-N 3.38Å; L271-Y274 WeakPolarHBondContact O-CB 3.49Å; L271-Y274 PolarHBondContact O-N 2.62Å; L271-Y274 VanDerWaalsContact O-N 3.14Å; F272-Y274 VanDerWaalsContact C-N 3.32Å; F272-Y274 PolarHBondContact O-N 3.12Å; Y274-N276 VanDerWaalsContact C-N 3.29Å; Y274-N276 PolarHBondContact O-N 3.34Å; Y274-L395 HydrophobicContact CD1-CD1 3.77Å; Y274-L395 HydrophobicContact CD1-CD2 3.9Å; Y274-L395 HydrophobicContact CD1-CG 4.47Å; Y274-L395 HydrophobicContact CE1-CD1 3.25Å; Y274-L395 HydrophobicContact CE1-CD2 4.18Å; Y274-L395 HydrophobicContact CE1-CG 4.35Å; Y274-N399 WeakPolarHBondContact CE2-ND2 3.36Å; Y274-L402 HydrophobicContact CD1-CD1 4.09Å; Y274-L402 HydrophobicContact CD2-CD1 4.11Å; Y274-L402 HydrophobicContact CG-CD1 3.84Å |
| 275 | I | 94.8 | Very high | 95.5 | Very high | 47 Ų | 47 | 47.3 Ų | 47.3 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 23.3 | 177.9 | 69.2 | -173.3 | 0 | 0 | 0 | 113.1 | F240 Y244 L271 F272 N273 I277 L395 | F240-I275 HydrophobicContact CZ-CD1 4.29Å; Y244-I275 HydrophobicContact CD2-CD1 3.71Å; Y244-I275 HydrophobicContact CE2-CD1 3.8Å; L271-I275 HydrophobicContact CD1-CG2 4.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.24Å; L271-I275 PolarHBondContact O-N 3Å; F272-I275 HydrophobicContact CD1-CD1 4.02Å; F272-I275 HydrophobicContact CD1-CG1 4.46Å; F272-I275 HydrophobicContact CE1-CD1 4.45Å; F272-I275 CarbonylContact O-C 3.59Å; F272-I275 WeakPolarHBondContact O-CG1 3.21Å; F272-I275 PolarHBondContact O-N 3.36Å; N273-I275 VanDerWaalsContact C-N 3.32Å; N273-I275 PolarHBondContact O-N 3.27Å; I275-I277 VanDerWaalsContact C-N 3.34Å; I275-I277 HydrophobicContact CD1-CD1 4.25Å; I275-I277 HydrophobicContact CG1-CD1 4.21Å; I275-I277 HydrophobicContact CG1-CG1 4.41Å; I275-I277 PolarHBondContact O-N 2.88Å; I275-L395 HydrophobicContact CG2-CD2 3.86Å |
| 276 | N | 94.2 | Very high | 95 | Very high | 143 Ų | 143 | 48.3 Ų | 48.3 | 77% | 0.765 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 36.8 | 175.3 | -57.6 | -54.5 | 0 | 0 | 0 | 114.7 | F272 N273 Y274 | F272-N276 PolarHBondContact O-N 2.98Å; N273-N276 PolarHBondContact O-N 3Å; Y274-N276 VanDerWaalsContact C-N 3.29Å; Y274-N276 PolarHBondContact O-N 3.34Å |
| 277 | I | 96.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | trans | -111.8 | 98.2 | 165.6 | -61.1 | 170.7 | 0 | 0 | 0 | 106.5 | Y244 L247 R248 F272 N273 I275 T279 I305 | Y244-I277 HydrophobicContact CD2-CD1 3.62Å; Y244-I277 HydrophobicContact CE2-CD1 3.59Å; L247-I277 HydrophobicContact CB-CG2 4.41Å; R248-I277 HydrophobicContact CG-CD1 3.61Å; R248-I277 HydrophobicContact CG-CG1 4.3Å; F272-I277 CarbonylContact C-O 3.41Å; F272-I277 HydrophobicContact CB-CB 4.17Å; F272-I277 HydrophobicContact CB-CG2 4.44Å; F272-I277 WeakPolarHBondContact CB-O 3.25Å; F272-I277 HydrophobicContact CD1-CB 4.16Å; F272-I277 HydrophobicContact CD1-CD1 3.91Å; F272-I277 HydrophobicContact CD1-CG2 4.28Å; F272-I277 HydrophobicContact CE1-CD1 4.33Å; F272-I277 CarbonylContact O-C 3.54Å; F272-I277 WeakPolarHBondContact O-CA 3.33Å; F272-I277 PolarHBondContact O-N 2.84Å; N273-I277 PolarHBondContact N-O 2.76Å; I275-I277 VanDerWaalsContact C-N 3.34Å; I275-I277 HydrophobicContact CD1-CD1 4.25Å; I275-I277 HydrophobicContact CG1-CD1 4.21Å; I275-I277 HydrophobicContact CG1-CG1 4.41Å; I275-I277 PolarHBondContact O-N 2.88Å; I277-T279 HydrophobicContact CG2-CG2 4.33Å; I277-T279 PolarHBondContact O-N 3.11Å; I277-T279 VanDerWaalsContact O-N 3.15Å; I277-I305 HydrophobicContact CG2-CD1 3.77Å | ||
| 278 | P | 96.3 | Very high | 93.8 | Very high | 87 Ų | 87 | 52.9 Ų | 52.9 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | trans | -60.1 | 120.6 | -177.2 | -24.7 | 34.9 | 0 | 0 | 0 | 111 | ||||
| 279 | T | 97.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | trans | -132.4 | 147.5 | 175.5 | 59 | 0 | 0 | 0 | 0 | 109.5 | N269 F272 N273 I277 I305 L307 | N269-T279 PolarHBondContact O-OG1 3.17Å; N269-T279 PolarHBondContact OD1-O 2.83Å; N269-T279 VanDerWaalsContact OD1-O 3.12Å; N269-T279 PolarHBondContact OD1-OG1 3.06Å; F272-T279 HydrophobicContact CB-CG2 3.6Å; F272-T279 HydrophobicContact CD2-CG2 4.11Å; F272-T279 HydrophobicContact CG-CG2 4.06Å; N273-T279 PolarHBondContact ND2-O 2.66Å; N273-T279 PolarHBondContact ND2-OG1 2.96Å; N273-T279 PolarHBondContact OD1-N 3.1Å; I277-T279 HydrophobicContact CG2-CG2 4.33Å; I277-T279 PolarHBondContact O-N 3.11Å; I277-T279 VanDerWaalsContact O-N 3.15Å; T279-I305 WeakPolarHBondContact CA-O 3.33Å; T279-I305 HydrophobicContact CG2-CB 3.9Å; T279-I305 HydrophobicContact CG2-CD1 4.32Å; T279-I305 HydrophobicContact CG2-CG2 3.7Å; T279-L307 HydrophobicContact CG2-CD1 4.37Å; T279-L307 HydrophobicContact CG2-CG 4.44Å | ||
| 280 | V | 95.7 | Very high | 92.8 | Very high | 52 Ų | 52 | 65 Ų | 65 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 158.3 | 166.6 | -64.4 | 0 | 0 | 0 | 0 | 108.9 | N269 T294 F298 I305 L306 L307 | N269-V280 VanDerWaalsContact OD1-C 3.24Å; N269-V280 WeakPolarHBondContact OD1-CA 3.01Å; V280-T294 HydrophobicContact CB-CG2 3.74Å; V280-T294 HydrophobicContact CG2-CG2 3.95Å; V280-F298 HydrophobicContact CG2-CB 4.49Å; V280-F298 HydrophobicContact CG2-CD2 4.14Å; V280-I305 PolarHBondContact N-O 3.4Å; V280-L306 HydrophobicContact CG2-CB 4.33Å; V280-L306 HydrophobicContact CG2-CD1 3.99Å; V280-L306 CarbonylContact O-C 3.41Å; V280-L306 WeakPolarHBondContact O-CA 3.32Å; V280-L307 PolarHBondContact O-N 3.34Å |
| 281 | C | 95.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 62.7 Ų | 62.7 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 145.6 | -178.8 | 77.1 | 0 | 0 | 0 | 0 | 114.7 | V265 N269 Q286 L307 | V265-C281 HydrophobicContact CG1-CB 3.52Å; N269-C281 HydrophobicContact CB-CB 3.83Å; N269-C281 WeakPolarHBondContact OD1-CB 3.25Å; N269-C281 PolarHBondContact OD1-N 2.79Å; C281-Q286 PolarHBondContact O-NE2 2.93Å; C281-Q286 PolarHBondContact O-OE1 2.86Å; C281-Q286 PolarHBondContact SG-NE2 2.81Å; C281-Q286 VanDerWaalsContact SG-NE2 3.41Å; C281-L307 CarbonylContact C-O 3.45Å; C281-L307 WeakPolarHBondContact CA-O 3.43Å; C281-L307 HydrophobicContact CB-CB 4.06Å; C281-L307 WeakPolarHBondContact CB-O 3.02Å |
| 282 | I | 91.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 118 | 176.7 | -65.4 | 170.7 | 0 | 0 | 0 | 108.9 | R291 T294 F295 L306 L307 C308 A312 L316 | I282-R291 HydrophobicContact CG2-CG 4.4Å; I282-T294 HydrophobicContact CD1-CG2 4.16Å; I282-T294 HydrophobicContact CG1-CG2 3.78Å; I282-F295 HydrophobicContact CD1-CB 3.92Å; I282-L306 HydrophobicContact CB-CD1 4.16Å; I282-L306 HydrophobicContact CD1-CD1 3.78Å; I282-L306 HydrophobicContact CD1-CD2 4.12Å; I282-L306 HydrophobicContact CG1-CD1 3.75Å; I282-L307 PolarHBondContact N-O 3.41Å; I282-C308 VanDerWaalsContact O-CA 3.28Å; I282-C308 WeakPolarHBondContact O-CA 3.37Å; I282-C308 WeakPolarHBondContact O-CB 3.5Å; I282-A312 HydrophobicContact CG2-CB 3.73Å; I282-A312 WeakPolarHBondContact CG2-O 3.28Å; I282-A312 VanDerWaalsContact O-CB 3.31Å; I282-A312 WeakPolarHBondContact O-CB 3Å; I282-L316 HydrophobicContact CD1-CD1 4.19Å |
| 283 | H | 91.2 | Very high | 91.2 | Very high | 18 Ų | 18 | 67.9 Ų | 67.9 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | trans | -146.6 | 159 | 177.3 | 66.7 | 85.9 | 0 | 0 | 0 | 112 | C262 V265 K285 Q286 T309 A312 | C262-H283 HydrophobicContact CB-CB 4.13Å; V265-H283 HydrophobicContact CB-CB 4.29Å; V265-H283 HydrophobicContact CG1-CB 4.09Å; H283-K285 VanDerWaalsContact C-N 3.25Å; H283-K285 PolarHBondContact ND1-N 3.12Å; H283-K285 PolarHBondContact O-N 2.67Å; H283-K285 VanDerWaalsContact O-N 3.12Å; H283-Q286 VanDerWaalsContact NE2-CG 3.32Å; H283-Q286 WeakPolarHBondContact NE2-CG 3.43Å; H283-Q286 WeakPolarHBondContact O-CB 3.27Å; H283-Q286 PolarHBondContact O-N 3.14Å; H283-Q286 VanDerWaalsContact O-N 3.09Å; H283-T309 HydrophobicContact CB-CG2 4.43Å; H283-A312 VanDerWaalsContact CA-CB 3.4Å | ||
| 284 | G | 85 | Confident | 90.9 | Very high | 45 Ų | 45 | 65.6 Ų | 65.6 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 285 | K | 87.1 | Confident | 90.3 | Very high | 181 Ų | 181 | 59.5 Ų | 59.5 | 79% | 0.787 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.1 | 176.8 | -64.6 | -172.2 | 177.1 | -177.3 | 0 | 114.4 | C262 H283 | C262-K285 HydrophobicContact CB-CD 4.41Å; C262-K285 HydrophobicContact CB-CG 4.35Å; H283-K285 VanDerWaalsContact C-N 3.25Å; H283-K285 PolarHBondContact ND1-N 3.12Å; H283-K285 PolarHBondContact O-N 2.67Å; H283-K285 VanDerWaalsContact O-N 3.12Å |
| 286 | Q | 88.5 | Confident | 89.8 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -80.8 | 147.1 | 175.9 | -66.9 | 178 | -32.3 | 0 | 0 | 111.4 | C281 H283 R291 | C281-Q286 PolarHBondContact O-NE2 2.93Å; C281-Q286 PolarHBondContact O-OE1 2.86Å; C281-Q286 PolarHBondContact SG-NE2 2.81Å; C281-Q286 VanDerWaalsContact SG-NE2 3.41Å; H283-Q286 VanDerWaalsContact NE2-CG 3.32Å; H283-Q286 WeakPolarHBondContact NE2-CG 3.43Å; H283-Q286 WeakPolarHBondContact O-CB 3.27Å; H283-Q286 PolarHBondContact O-N 3.14Å; H283-Q286 VanDerWaalsContact O-N 3.09Å; Q286-R291 HydrophobicContact CB-CG 3.61Å |
| 287 | K | 87.4 | Confident | 89.6 | Confident | 179 Ų | 179 | 58.7 Ų | 58.7 | 78% | 0.778 | 31% | 0.305 | S | S | * | . | trans | -58.2 | 141.5 | 169.9 | -67.3 | -173.9 | 178.3 | -178.1 | 0 | 110.1 | Q289 K290 R291 | K287-Q289 VanDerWaalsContact C-N 3.3Å; K287-Q289 PolarHBondContact O-N 3.41Å; K287-K290 PolarHBondContact O-N 3.03Å; K287-R291 PolarHBondContact O-N 3.04Å; K287-R291 VanDerWaalsContact O-N 3.11Å | ||
| 288 | Q | 83.7 | Confident | 89.3 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.3 | -42.2 | -175.3 | -172.1 | 58.4 | 33.4 | 0 | 0 | 112.5 | E89 K290 R291 T292 | E89-Q288 PolarHBondContact OE1-NE2 3.39Å; Q288-K290 VanDerWaalsContact C-N 3.3Å; Q288-K290 PolarHBondContact O-N 2.88Å; Q288-R291 WeakPolarHBondContact O-CB 3.28Å; Q288-R291 PolarHBondContact O-N 3.17Å; Q288-R291 VanDerWaalsContact O-N 3.12Å; Q288-R291 VanDerWaalsContact OE1-NH1 3.14Å; Q288-T292 PolarHBondContact NE2-OG1 3.16Å; Q288-T292 WeakPolarHBondContact O-CB 3.21Å; Q288-T292 PolarHBondContact O-N 2.97Å; Q288-T292 PolarHBondContact O-OG1 3.27Å |
| 289 | Q | 86.2 | Confident | 88.7 | Confident | 162 Ų | 162 | 55.4 Ų | 55.4 | 76% | 0.757 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -55.7 | -44.6 | 177.2 | -173.1 | 179 | 2.4 | 0 | 0 | 112 | K287 T292 T293 | K287-Q289 VanDerWaalsContact C-N 3.3Å; K287-Q289 PolarHBondContact O-N 3.41Å; Q289-T292 PolarHBondContact O-N 3.36Å; Q289-T293 PolarHBondContact O-N 3.04Å; Q289-T293 PolarHBondContact O-OG1 3.29Å; Q289-T293 VanDerWaalsContact O-OG1 3.06Å |
| 290 | K | 89.7 | Confident | 88.2 | Confident | 124 Ų | 124 | 61.5 Ų | 61.5 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.5 | -177 | 173.7 | 179.2 | 174.3 | 0 | 111.4 | K287 Q288 T292 T293 T294 | K287-K290 PolarHBondContact O-N 3.03Å; Q288-K290 VanDerWaalsContact C-N 3.3Å; Q288-K290 PolarHBondContact O-N 2.88Å; K290-T292 VanDerWaalsContact C-N 3.34Å; K290-T292 PolarHBondContact O-N 3.3Å; K290-T293 PolarHBondContact O-N 3.38Å; K290-T294 WeakPolarHBondContact O-CB 3.4Å; K290-T294 PolarHBondContact O-N 3.44Å; K290-T294 PolarHBondContact O-OG1 2.9Å; K290-T294 VanDerWaalsContact O-OG1 3.09Å |
| 291 | R | 86.9 | Confident | 87.9 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 6% | 0.057 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 177.1 | -67.3 | -178.8 | 67.2 | -136.5 | -3.6 | 111.3 | E89 I282 Q286 K287 Q288 T294 F295 A312 | E89-R291 IonicContact OE1-CZ 3.85Å; E89-R291 IonicContact OE1-NE 3.77Å; E89-R291 IonicContact OE1-NH1 2.68Å; E89-R291 PolarHBondContact OE1-NH1 3.04Å; E89-R291 IonicContact OE1-NH2 2.62Å; E89-R291 PolarHBondContact OE1-NH2 3.2Å; E89-R291 IonicContact OE2-CZ 3.17Å; E89-R291 IonicContact OE2-NH1 3.07Å; E89-R291 IonicContact OE2-NH2 2.95Å; E89-R291 PolarHBondContact OE2-NH2 2.77Å; E89-R291 VanDerWaalsContact OE2-NH2 3.07Å; I282-R291 HydrophobicContact CG2-CG 4.4Å; Q286-R291 HydrophobicContact CB-CG 3.61Å; K287-R291 PolarHBondContact O-N 3.04Å; K287-R291 VanDerWaalsContact O-N 3.11Å; Q288-R291 WeakPolarHBondContact O-CB 3.28Å; Q288-R291 PolarHBondContact O-N 3.17Å; Q288-R291 VanDerWaalsContact O-N 3.12Å; Q288-R291 VanDerWaalsContact OE1-NH1 3.14Å; R291-T294 PolarHBondContact O-N 2.95Å; R291-F295 WeakPolarHBondContact O-CB 3.32Å; R291-F295 PolarHBondContact O-N 3.43Å; R291-A312 PolarHBondContact NH2-O 3.1Å |
| 292 | T | 83.8 | Confident | 87.6 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.5 | -49.4 | 177.4 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | M92 Q288 Q289 K290 F295 F296 | M92-T292 HydrophobicContact CE-CG2 3.27Å; M92-T292 VanDerWaalsContact CE-OG1 3.32Å; M92-T292 WeakPolarHBondContact CE-OG1 3.31Å; M92-T292 HydrophobicContact SD-CG2 4.39Å; M92-T292 PolarHBondContact SD-OG1 3.44Å; Q288-T292 PolarHBondContact NE2-OG1 3.16Å; Q288-T292 WeakPolarHBondContact O-CB 3.21Å; Q288-T292 PolarHBondContact O-N 2.97Å; Q288-T292 PolarHBondContact O-OG1 3.27Å; Q289-T292 PolarHBondContact O-N 3.36Å; K290-T292 VanDerWaalsContact C-N 3.34Å; K290-T292 PolarHBondContact O-N 3.3Å; T292-F295 PolarHBondContact O-N 3.01Å; T292-F296 HydrophobicContact CG2-CD2 3.89Å; T292-F296 HydrophobicContact CG2-CE2 3.82Å; T292-F296 VanDerWaalsContact O-CD2 3.24Å; T292-F296 WeakPolarHBondContact O-CD2 3.49Å; T292-F296 PolarHBondContact O-N 2.85Å |
| 293 | T | 89.4 | Confident | 87.7 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -51.7 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 111 | Q289 K290 F295 F296 T297 | Q289-T293 PolarHBondContact O-N 3.04Å; Q289-T293 PolarHBondContact O-OG1 3.29Å; Q289-T293 VanDerWaalsContact O-OG1 3.06Å; K290-T293 PolarHBondContact O-N 3.38Å; T293-F295 VanDerWaalsContact C-N 3.28Å; T293-F295 PolarHBondContact O-N 3.32Å; T293-F296 PolarHBondContact O-N 3.2Å; T293-T297 WeakPolarHBondContact O-CB 3.48Å; T293-T297 PolarHBondContact O-N 3.17Å; T293-T297 PolarHBondContact O-OG1 3.13Å |
| 294 | T | 90.2 | Very high | 87.9 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 13% | 0.129 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 179.3 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | V280 I282 K290 R291 F298 | V280-T294 HydrophobicContact CB-CG2 3.74Å; V280-T294 HydrophobicContact CG2-CG2 3.95Å; I282-T294 HydrophobicContact CD1-CG2 4.16Å; I282-T294 HydrophobicContact CG1-CG2 3.78Å; K290-T294 WeakPolarHBondContact O-CB 3.4Å; K290-T294 PolarHBondContact O-N 3.44Å; K290-T294 PolarHBondContact O-OG1 2.9Å; K290-T294 VanDerWaalsContact O-OG1 3.09Å; R291-T294 PolarHBondContact O-N 2.95Å; T294-F298 WeakPolarHBondContact O-CB 3.45Å; T294-F298 PolarHBondContact O-N 2.87Å |
| 295 | F | 85.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.6 | -53.8 | 176.8 | 171.5 | -104.1 | 0 | 0 | 0 | 111.6 | Q93 I282 R291 T292 T293 T297 F298 C299 L316 D317 I318 | Q93-F295 HydrophobicContact CG-CE1 4.2Å; Q93-F295 HydrophobicContact CG-CZ 4.15Å; I282-F295 HydrophobicContact CD1-CB 3.92Å; R291-F295 WeakPolarHBondContact O-CB 3.32Å; R291-F295 PolarHBondContact O-N 3.43Å; T292-F295 PolarHBondContact O-N 3.01Å; T293-F295 VanDerWaalsContact C-N 3.28Å; T293-F295 PolarHBondContact O-N 3.32Å; F295-T297 PolarHBondContact O-N 2.96Å; F295-F298 PolarHBondContact O-N 3.41Å; F295-C299 WeakPolarHBondContact CE2-SG 3.4Å; F295-C299 WeakPolarHBondContact CZ-SG 3.13Å; F295-C299 WeakPolarHBondContact O-CB 3.39Å; F295-C299 PolarHBondContact O-N 3.47Å; F295-C299 PolarHBondContact O-SG 3.33Å; F295-C299 VanDerWaalsContact O-SG 3.39Å; F295-L316 HydrophobicContact CD2-CB 4.34Å; F295-L316 HydrophobicContact CD2-CD1 3.97Å; F295-L316 HydrophobicContact CD2-CD2 3.58Å; F295-L316 HydrophobicContact CD2-CG 4.16Å; F295-L316 HydrophobicContact CE2-CB 3.89Å; F295-L316 HydrophobicContact CE2-CD1 4.34Å; F295-L316 HydrophobicContact CE2-CD2 3.77Å; F295-L316 HydrophobicContact CE2-CG 4.19Å; F295-L316 HydrophobicContact CG-CD2 4.29Å; F295-D317 WeakPolarHBondContact CZ-O 3.32Å; F295-I318 HydrophobicContact CD2-CG1 4.48Å; F295-I318 HydrophobicContact CE2-CG1 3.8Å |
| 296 | F | 84.9 | Confident | 88.9 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 179.6 | -74.1 | -61 | 0 | 0 | 0 | 112.8 | M92 T292 T293 F298 C299 N300 | M92-F296 HydrophobicContact CE-CD2 4.19Å; M92-F296 HydrophobicContact CE-CE2 3.27Å; M92-F296 HydrophobicContact CE-CZ 3.73Å; T292-F296 HydrophobicContact CG2-CD2 3.89Å; T292-F296 HydrophobicContact CG2-CE2 3.82Å; T292-F296 VanDerWaalsContact O-CD2 3.24Å; T292-F296 WeakPolarHBondContact O-CD2 3.49Å; T292-F296 PolarHBondContact O-N 2.85Å; T293-F296 PolarHBondContact O-N 3.2Å; F296-F298 VanDerWaalsContact C-N 3.31Å; F296-F298 PolarHBondContact O-N 2.91Å; F296-C299 PolarHBondContact O-N 2.89Å; F296-N300 WeakPolarHBondContact O-CB 3.41Å; F296-N300 VanDerWaalsContact O-CG 3.31Å; F296-N300 PolarHBondContact O-N 2.92Å; F296-N300 PolarHBondContact O-ND2 3.29Å |
| 297 | T | 89.9 | Confident | 89.3 | Confident | 87 Ų | 87 | 61.5 Ų | 61.5 | 53% | 0.534 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 173.1 | -60.8 | 0 | 0 | 0 | 0 | 111 | T293 F295 A301 | T293-T297 WeakPolarHBondContact O-CB 3.48Å; T293-T297 PolarHBondContact O-N 3.17Å; T293-T297 PolarHBondContact O-OG1 3.13Å; F295-T297 PolarHBondContact O-N 2.96Å; T297-A301 WeakPolarHBondContact O-CB 2.81Å; T297-A301 PolarHBondContact O-N 2.88Å; T297-A301 VanDerWaalsContact O-N 3.1Å |
| 298 | F | 90 | Very high | 89.6 | Confident | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.1 | -40.4 | 178.4 | -173.2 | -108.5 | 0 | 0 | 0 | 112.7 | K254 V255 M256 V280 T294 F295 F296 N300 A301 G304 L306 I318 | K254-F298 HydrophobicContact CD-CZ 4.49Å; K254-F298 WeakPolarHBondContact CE-O 3.42Å; K254-F298 HydrophobicContact CG-CE1 4.21Å; K254-F298 HydrophobicContact CG-CE2 4.09Å; K254-F298 HydrophobicContact CG-CZ 3.64Å; K254-F298 PolarHBondContact NZ-O 3.37Å; V255-F298 WeakPolarHBondContact O-CZ 3.43Å; M256-F298 HydrophobicContact CG-CE1 3.81Å; M256-F298 HydrophobicContact CG-CZ 4.07Å; M256-F298 HydrophobicContact SD-CE1 4.46Å; V280-F298 HydrophobicContact CG2-CB 4.49Å; V280-F298 HydrophobicContact CG2-CD2 4.14Å; T294-F298 WeakPolarHBondContact O-CB 3.45Å; T294-F298 PolarHBondContact O-N 2.87Å; F295-F298 PolarHBondContact O-N 3.41Å; F296-F298 VanDerWaalsContact C-N 3.31Å; F296-F298 PolarHBondContact O-N 2.91Å; F298-N300 VanDerWaalsContact C-N 3.31Å; F298-N300 PolarHBondContact O-N 2.97Å; F298-A301 PolarHBondContact O-N 3.41Å; F298-G304 WeakPolarHBondContact CE2-O 3.44Å; F298-L306 HydrophobicContact CD1-CB 3.83Å; F298-L306 HydrophobicContact CD1-CD2 3.53Å; F298-L306 HydrophobicContact CD1-CG 4.27Å; F298-L306 HydrophobicContact CD2-CB 3.78Å; F298-L306 HydrophobicContact CE1-CB 3.58Å; F298-L306 HydrophobicContact CE1-CD2 3.73Å; F298-L306 HydrophobicContact CE1-CG 4.3Å; F298-L306 HydrophobicContact CE2-CB 3.55Å; F298-L306 HydrophobicContact CG-CB 3.91Å; F298-L306 HydrophobicContact CG-CD2 4.11Å; F298-L306 HydrophobicContact CZ-CB 3.45Å; F298-L306 VanDerWaalsContact CZ-CB 3.45Å; F298-L306 HydrophobicContact CZ-CD2 4.48Å; F298-I318 HydrophobicContact CD1-CD1 4.16Å; F298-I318 HydrophobicContact CD1-CG2 3.84Å; F298-I318 HydrophobicContact CE1-CD1 4.22Å; F298-I318 HydrophobicContact CE1-CG2 3.69Å |
| 299 | C | 83.7 | Confident | 89.9 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 10% | 0.101 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 177 | -77.4 | 0 | 0 | 0 | 0 | 112.3 | K254 F295 F296 A301 | K254-C299 PolarHBondContact NZ-O 3.01Å; F295-C299 WeakPolarHBondContact CE2-SG 3.4Å; F295-C299 WeakPolarHBondContact CZ-SG 3.13Å; F295-C299 WeakPolarHBondContact O-CB 3.39Å; F295-C299 PolarHBondContact O-N 3.47Å; F295-C299 PolarHBondContact O-SG 3.33Å; F295-C299 VanDerWaalsContact O-SG 3.39Å; F296-C299 PolarHBondContact O-N 2.89Å; C299-A301 VanDerWaalsContact C-N 3.35Å |
| 300 | N | 86.6 | Confident | 89.5 | Confident | 138 Ų | 138 | 45.7 Ų | 45.7 | 74% | 0.738 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -81.5 | -13.2 | -179.3 | -64.5 | -17.2 | 0 | 0 | 0 | 113.5 | F296 F298 | F296-N300 WeakPolarHBondContact O-CB 3.41Å; F296-N300 VanDerWaalsContact O-CG 3.31Å; F296-N300 PolarHBondContact O-N 2.92Å; F296-N300 PolarHBondContact O-ND2 3.29Å; F298-N300 VanDerWaalsContact C-N 3.31Å; F298-N300 PolarHBondContact O-N 2.97Å |
| 301 | A | 89.8 | Confident | 88.3 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | trans | -73.5 | 138.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K254 T297 F298 C299 H303 | K254-A301 WeakPolarHBondContact CE-O 3.38Å; K254-A301 PolarHBondContact NZ-O 3.25Å; T297-A301 WeakPolarHBondContact O-CB 2.81Å; T297-A301 PolarHBondContact O-N 2.88Å; T297-A301 VanDerWaalsContact O-N 3.1Å; F298-A301 PolarHBondContact O-N 3.41Å; C299-A301 VanDerWaalsContact C-N 3.35Å; A301-H303 WeakPolarHBondContact CB-O 3.38Å | ||
| 302 | E | 89.7 | Confident | 86.9 | Confident | 176 Ų | 176 | 43.5 Ų | 43.5 | 82% | 0.822 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -70.9 | -38.2 | 173.5 | -173 | -178.7 | -174.9 | 0 | 0 | 111.5 | ||
| 303 | H | 92.9 | Very high | 85.5 | Confident | 99 Ų | 99 | 42.2 Ų | 42.2 | 46% | 0.458 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -139.3 | 163.4 | 177.1 | 57.2 | -84.8 | 0 | 0 | 0 | 110.3 | K252 A301 | K252-H303 WeakPolarHBondContact O-CB 3.39Å; A301-H303 WeakPolarHBondContact CB-O 3.38Å |
| 304 | G | 95.2 | Very high | 84.3 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.6 | 167 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K253 K254 V255 F298 | K253-G304 PolarHBondContact O-N 3.43Å; K254-G304 CarbonylContact C-O 3.59Å; K254-G304 WeakPolarHBondContact CA-O 3.47Å; V255-G304 PolarHBondContact N-O 3.27Å; F298-G304 WeakPolarHBondContact CE2-O 3.44Å |
| 305 | I | 97 | Very high | 82.7 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117.8 | -178.5 | -59.2 | 161 | 0 | 0 | 0 | 109.2 | L247 V255 V257 I277 T279 V280 L307 | L247-I305 HydrophobicContact CB-CD1 4.06Å; L247-I305 HydrophobicContact CD1-CD1 4.49Å; L247-I305 HydrophobicContact CD1-CG2 4.22Å; L247-I305 HydrophobicContact CD2-CD1 4.01Å; L247-I305 HydrophobicContact CD2-CG1 4.17Å; L247-I305 HydrophobicContact CD2-CG2 3.89Å; L247-I305 HydrophobicContact CG-CD1 4.4Å; V255-I305 HydrophobicContact CB-CG1 4.24Å; V255-I305 CarbonylContact O-C 3.51Å; V255-I305 WeakPolarHBondContact O-CA 3.33Å; V257-I305 HydrophobicContact CG2-CG2 4.18Å; I277-I305 HydrophobicContact CG2-CD1 3.77Å; T279-I305 WeakPolarHBondContact CA-O 3.33Å; T279-I305 HydrophobicContact CG2-CB 3.9Å; T279-I305 HydrophobicContact CG2-CD1 4.32Å; T279-I305 HydrophobicContact CG2-CG2 3.7Å; V280-I305 PolarHBondContact N-O 3.4Å; I305-L307 HydrophobicContact CG2-CD2 3.87Å |
| 306 | L | 95.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.7 | 174.7 | 172.7 | 62.6 | 0 | 0 | 0 | 110.6 | V255 M256 V257 V280 I282 F298 C308 I318 | V255-L306 PolarHBondContact O-N 3.1Å; M256-L306 CarbonylContact C-O 3.53Å; M256-L306 WeakPolarHBondContact CA-O 3.49Å; M256-L306 HydrophobicContact CE-CD2 4.16Å; M256-L306 HydrophobicContact CG-CB 4.36Å; M256-L306 HydrophobicContact CG-CD2 4.38Å; V257-L306 PolarHBondContact N-O 3.5Å; V280-L306 HydrophobicContact CG2-CB 4.33Å; V280-L306 HydrophobicContact CG2-CD1 3.99Å; V280-L306 CarbonylContact O-C 3.41Å; V280-L306 WeakPolarHBondContact O-CA 3.32Å; I282-L306 HydrophobicContact CB-CD1 4.16Å; I282-L306 HydrophobicContact CD1-CD1 3.78Å; I282-L306 HydrophobicContact CD1-CD2 4.12Å; I282-L306 HydrophobicContact CG1-CD1 3.75Å; F298-L306 HydrophobicContact CD1-CB 3.83Å; F298-L306 HydrophobicContact CD1-CD2 3.53Å; F298-L306 HydrophobicContact CD1-CG 4.27Å; F298-L306 HydrophobicContact CD2-CB 3.78Å; F298-L306 HydrophobicContact CE1-CB 3.58Å; F298-L306 HydrophobicContact CE1-CD2 3.73Å; F298-L306 HydrophobicContact CE1-CG 4.3Å; F298-L306 HydrophobicContact CE2-CB 3.55Å; F298-L306 HydrophobicContact CG-CB 3.91Å; F298-L306 HydrophobicContact CG-CD2 4.11Å; F298-L306 HydrophobicContact CZ-CB 3.45Å; F298-L306 VanDerWaalsContact CZ-CB 3.45Å; F298-L306 HydrophobicContact CZ-CD2 4.48Å; L306-C308 HydrophobicContact CG-CB 4.5Å; L306-I318 HydrophobicContact CD2-CD1 3.72Å |
| 307 | L | 97 | Very high | 80.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129 | 171.8 | -47.8 | -178.1 | 0 | 0 | 0 | 109.7 | V257 L259 V265 H268 N269 F272 T279 V280 C281 I282 I305 | V257-L307 HydrophobicContact CB-CD2 3.57Å; V257-L307 HydrophobicContact CG1-CD2 4.28Å; V257-L307 HydrophobicContact CG2-CD2 3.66Å; V257-L307 WeakPolarHBondContact O-CA 3.44Å; L259-L307 HydrophobicContact CD1-CB 4.08Å; V265-L307 HydrophobicContact CG1-CB 4.14Å; V265-L307 WeakPolarHBondContact CG1-O 3.38Å; H268-L307 HydrophobicContact CB-CD1 3.84Å; N269-L307 HydrophobicContact CB-CD1 3.92Å; N269-L307 VanDerWaalsContact N-CD1 3.3Å; F272-L307 HydrophobicContact CD2-CD1 4.06Å; T279-L307 HydrophobicContact CG2-CD1 4.37Å; T279-L307 HydrophobicContact CG2-CG 4.44Å; V280-L307 PolarHBondContact O-N 3.34Å; C281-L307 CarbonylContact C-O 3.45Å; C281-L307 WeakPolarHBondContact CA-O 3.43Å; C281-L307 HydrophobicContact CB-CB 4.06Å; C281-L307 WeakPolarHBondContact CB-O 3.02Å; I282-L307 PolarHBondContact N-O 3.41Å; I305-L307 HydrophobicContact CG2-CD2 3.87Å |
| 308 | C | 94.2 | Very high | 79.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158.6 | -175.6 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | V257 F258 L259 V265 I282 L306 | V257-C308 PolarHBondContact O-N 2.88Å; F258-C308 CarbonylContact C-O 3.54Å; F258-C308 VanDerWaalsContact CA-O 3.32Å; F258-C308 WeakPolarHBondContact CA-O 3.46Å; L259-C308 PolarHBondContact N-O 3.39Å; V265-C308 VanDerWaalsContact CG2-C 3.48Å; I282-C308 VanDerWaalsContact O-CA 3.28Å; I282-C308 WeakPolarHBondContact O-CA 3.37Å; I282-C308 WeakPolarHBondContact O-CB 3.5Å; L306-C308 HydrophobicContact CG-CB 4.5Å |
| 309 | T | 90.6 | Very high | 78.4 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.043 | 20% | 0.198 | C | C | . | . | trans | -94.5 | 160 | 166 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | L259 S261 V265 H283 V311 A312 S313 | L259-T309 WeakPolarHBondContact O-CA 3.47Å; S261-T309 VanDerWaalsContact C-CG2 3.4Å; V265-T309 HydrophobicContact CG2-CG2 3.59Å; H283-T309 HydrophobicContact CB-CG2 4.43Å; T309-V311 PolarHBondContact O-N 3.15Å; T309-A312 PolarHBondContact O-N 3.26Å; T309-A312 VanDerWaalsContact OG1-CB 3.29Å; T309-A312 WeakPolarHBondContact OG1-CB 3.47Å; T309-A312 PolarHBondContact OG1-N 2.88Å; T309-S313 WeakPolarHBondContact O-CB 3.49Å; T309-S313 PolarHBondContact O-N 3.4Å; T309-S313 PolarHBondContact O-OG 3.27Å | ||
| 310 | D | 78.5 | Confident | 78 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 10% | 0.096 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -51.5 | -52.4 | 172.9 | -66.8 | -66.9 | 0 | 0 | 0 | 112.8 | A312 S313 R314 R339 | D310-A312 PolarHBondContact O-N 2.89Å; D310-S313 WeakPolarHBondContact CA-OG 3.32Å; D310-S313 CarbonylContact O-C 3.54Å; D310-S313 PolarHBondContact O-N 3.45Å; D310-S313 PolarHBondContact O-OG 3.28Å; D310-S313 VanDerWaalsContact O-OG 3.12Å; D310-R314 VanDerWaalsContact O-CB 3.31Å; D310-R314 WeakPolarHBondContact O-CB 3.38Å; D310-R314 WeakPolarHBondContact O-CD 3.36Å; D310-R314 WeakPolarHBondContact O-CG 3.35Å; D310-R314 PolarHBondContact O-N 3.07Å; D310-R339 IonicContact OD1-CZ 3.07Å; D310-R339 IonicContact OD1-NE 3.38Å; D310-R339 PolarHBondContact OD1-NE 3.12Å; D310-R339 IonicContact OD1-NH2 3.74Å; D310-R339 PolarHBondContact OD1-NH2 2.92Å; D310-R339 IonicContact OD2-CZ 2.99Å; D310-R339 IonicContact OD2-NE 2.88Å; D310-R339 IonicContact OD2-NH2 3.32Å; D310-R339 PolarHBondContact OD2-NH2 2.7Å |
| 311 | V | 63.8 | Low | 78 | Confident | 93 Ų | 93 | 39.1 Ų | 39.1 | 56% | 0.564 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -51.7 | -34.8 | -179.5 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | T309 | T309-V311 PolarHBondContact O-N 3.15Å |
| 312 | A | 56.7 | Low | 78.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -94.4 | -17.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I282 H283 R291 T309 D310 | I282-A312 HydrophobicContact CG2-CB 3.73Å; I282-A312 WeakPolarHBondContact CG2-O 3.28Å; I282-A312 VanDerWaalsContact O-CB 3.31Å; I282-A312 WeakPolarHBondContact O-CB 3Å; H283-A312 VanDerWaalsContact CA-CB 3.4Å; R291-A312 PolarHBondContact NH2-O 3.1Å; T309-A312 PolarHBondContact O-N 3.26Å; T309-A312 VanDerWaalsContact OG1-CB 3.29Å; T309-A312 WeakPolarHBondContact OG1-CB 3.47Å; T309-A312 PolarHBondContact OG1-N 2.88Å; D310-A312 PolarHBondContact O-N 2.89Å |
| 313 | S | 55.4 | Low | 78.3 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -102.5 | -14.7 | 178 | 55 | 0 | 0 | 0 | 0 | 114 | F258 T309 D310 G315 L316 | F258-S313 WeakPolarHBondContact CE1-OG 3.37Å; T309-S313 WeakPolarHBondContact O-CB 3.49Å; T309-S313 PolarHBondContact O-N 3.4Å; T309-S313 PolarHBondContact O-OG 3.27Å; D310-S313 WeakPolarHBondContact CA-OG 3.32Å; D310-S313 CarbonylContact O-C 3.54Å; D310-S313 PolarHBondContact O-N 3.45Å; D310-S313 PolarHBondContact O-OG 3.28Å; D310-S313 VanDerWaalsContact O-OG 3.12Å; S313-G315 PolarHBondContact O-N 2.97Å; S313-L316 VanDerWaalsContact O-CB 3.27Å; S313-L316 WeakPolarHBondContact O-CB 3.29Å; S313-L316 VanDerWaalsContact O-CG 3.26Å; S313-L316 WeakPolarHBondContact O-CG 3.4Å; S313-L316 PolarHBondContact O-N 3.42Å |
| 314 | R | 63.5 | Low | 78.3 | Confident | 40 Ų | 40 | 29 Ų | 29 | 15% | 0.151 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 129.3 | 174.5 | -82 | 161.6 | -176.4 | 170.4 | 1.5 | 110.3 | T87 R164 D310 L316 D335 | T87-R314 HydrophobicContact CG2-CB 4.18Å; T87-R314 WeakPolarHBondContact CG2-O 3.4Å; T87-R314 PolarHBondContact OG1-O 2.83Å; R164-R314 VanDerWaalsContact CZ-CD 3.44Å; R164-R314 VanDerWaalsContact CZ-CZ 3.49Å; R164-R314 VanDerWaalsContact CZ-NE 3.28Å; R164-R314 VanDerWaalsContact NH1-NE 3.17Å; D310-R314 VanDerWaalsContact O-CB 3.31Å; D310-R314 WeakPolarHBondContact O-CB 3.38Å; D310-R314 WeakPolarHBondContact O-CD 3.36Å; D310-R314 WeakPolarHBondContact O-CG 3.35Å; D310-R314 PolarHBondContact O-N 3.07Å; R314-L316 PolarHBondContact O-N 2.76Å; R314-D335 IonicContact CZ-OD2 3.4Å; R314-D335 IonicContact NE-OD1 2.67Å; R314-D335 IonicContact NH2-OD1 3.67Å; R314-D335 IonicContact NH2-OD2 3.59Å; R314-D335 PolarHBondContact NH2-OD2 3.32Å |
| 315 | G | 56.1 | Low | 78.4 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 2.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L90 Q93 S313 D317 | L90-G315 WeakPolarHBondContact CA-O 3.28Å; L90-G315 WeakPolarHBondContact CB-O 3.08Å; Q93-G315 PolarHBondContact OE1-O 3.44Å; S313-G315 PolarHBondContact O-N 2.97Å; G315-D317 PolarHBondContact O-N 3Å; G315-D317 VanDerWaalsContact O-N 3.1Å |
| 316 | L | 61.9 | Low | 78.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -73.8 | 98 | 171.3 | -58.3 | -170 | 0 | 0 | 0 | 109.6 | E89 I282 F295 S313 R314 I318 R342 | E89-L316 HydrophobicContact CB-CD2 3.18Å; E89-L316 HydrophobicContact CG-CD2 3.43Å; E89-L316 VanDerWaalsContact CG-CD2 3.43Å; I282-L316 HydrophobicContact CD1-CD1 4.19Å; F295-L316 HydrophobicContact CD2-CB 4.34Å; F295-L316 HydrophobicContact CD2-CD1 3.97Å; F295-L316 HydrophobicContact CD2-CD2 3.58Å; F295-L316 HydrophobicContact CD2-CG 4.16Å; F295-L316 HydrophobicContact CE2-CB 3.89Å; F295-L316 HydrophobicContact CE2-CD1 4.34Å; F295-L316 HydrophobicContact CE2-CD2 3.77Å; F295-L316 HydrophobicContact CE2-CG 4.19Å; F295-L316 HydrophobicContact CG-CD2 4.29Å; S313-L316 VanDerWaalsContact O-CB 3.27Å; S313-L316 WeakPolarHBondContact O-CB 3.29Å; S313-L316 VanDerWaalsContact O-CG 3.26Å; S313-L316 WeakPolarHBondContact O-CG 3.4Å; S313-L316 PolarHBondContact O-N 3.42Å; R314-L316 PolarHBondContact O-N 2.76Å; L316-I318 HydrophobicContact CB-CD1 3.89Å; L316-I318 HydrophobicContact CB-CG1 3.92Å; L316-I318 HydrophobicContact CD1-CD1 3.89Å; L316-I318 PolarHBondContact O-N 2.97Å; L316-I318 VanDerWaalsContact O-N 3.12Å; L316-R342 VanDerWaalsContact C-NH1 3.26Å; L316-R342 WeakPolarHBondContact O-CD 3.26Å; L316-R342 PolarHBondContact O-NH1 3.37Å | ||
| 317 | D | 62.2 | Low | 78.4 | Confident | 64 Ų | 64 | 28.4 Ų | 28.4 | 34% | 0.342 | 14% | 0.137 | S | C | . | . | trans | -61 | 102.2 | 152.4 | -166.7 | -12.4 | 0 | 0 | 0 | 110.2 | Q93 F295 G315 R345 | Q93-D317 HydrophobicContact CG-CB 4.36Å; Q93-D317 PolarHBondContact NE2-O 2.96Å; Q93-D317 VanDerWaalsContact NE2-O 3.08Å; F295-D317 WeakPolarHBondContact CZ-O 3.32Å; G315-D317 PolarHBondContact O-N 3Å; G315-D317 VanDerWaalsContact O-N 3.1Å; D317-R345 IonicContact OD1-CZ 3.8Å; D317-R345 IonicContact OD1-NH1 3.79Å; D317-R345 PolarHBondContact OD1-NH1 2.88Å; D317-R345 IonicContact OD2-NH1 3.66Å; D317-R345 PolarHBondContact OD2-NH1 3.19Å | ||
| 318 | I | 68.9 | Low | 78.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -110.6 | 112.2 | 172 | -63.3 | 166.4 | 0 | 0 | 0 | 106.4 | M256 F295 F298 L306 L316 V321 | M256-I318 HydrophobicContact CE-CD1 3.41Å; M256-I318 VanDerWaalsContact CE-CD1 3.41Å; M256-I318 HydrophobicContact CG-CD1 4.44Å; M256-I318 HydrophobicContact SD-CB 4.27Å; M256-I318 HydrophobicContact SD-CD1 3.36Å; M256-I318 WeakPolarHBondContact SD-CD1 3.12Å; M256-I318 HydrophobicContact SD-CG1 4.38Å; M256-I318 HydrophobicContact SD-CG2 4.4Å; F295-I318 HydrophobicContact CD2-CG1 4.48Å; F295-I318 HydrophobicContact CE2-CG1 3.8Å; F298-I318 HydrophobicContact CD1-CD1 4.16Å; F298-I318 HydrophobicContact CD1-CG2 3.84Å; F298-I318 HydrophobicContact CE1-CD1 4.22Å; F298-I318 HydrophobicContact CE1-CG2 3.69Å; L306-I318 HydrophobicContact CD2-CD1 3.72Å; L316-I318 HydrophobicContact CB-CD1 3.89Å; L316-I318 HydrophobicContact CB-CG1 3.92Å; L316-I318 HydrophobicContact CD1-CD1 3.89Å; L316-I318 PolarHBondContact O-N 2.97Å; L316-I318 VanDerWaalsContact O-N 3.12Å; I318-V321 HydrophobicContact CB-CG2 3.99Å; I318-V321 HydrophobicContact CG2-CG2 3.37Å | ||
| 319 | P | 67.2 | Low | 78.3 | Confident | 51 Ų | 51 | 29.3 Ų | 29.3 | 33% | 0.331 | 14% | 0.142 | S | C | . | . | trans | -72.7 | 139.8 | -178.8 | 27.8 | -32.7 | 0 | 0 | 0 | 110.8 | K254 | K254-P319 PolarHBondContact NZ-O 3.45Š| ||
| 320 | R | 74.7 | Confident | 78.4 | Confident | 212 Ų | 212 | 29 Ų | 29 | 80% | 0.8 | 14% | 0.14 | S | C | * | . | trans | 56.5 | 56.2 | 165.2 | -61.9 | -180 | -75.2 | -171.4 | -3.6 | 114.1 | K254 | K254-R320 WeakPolarHBondContact CD-O 3.5Š| ||
| 321 | V | 87.2 | Confident | 78.8 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -83.8 | 129 | 171.3 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | K254 M256 I318 W323 I324 T343 | K254-V321 WeakPolarHBondContact O-CG1 3.3Å; M256-V321 HydrophobicContact CB-CG1 4.37Å; M256-V321 HydrophobicContact CG-CG1 3.89Å; M256-V321 HydrophobicContact CG-CG2 4.23Å; M256-V321 HydrophobicContact SD-CG1 4.3Å; M256-V321 HydrophobicContact SD-CG2 3.83Å; I318-V321 HydrophobicContact CB-CG2 3.99Å; I318-V321 HydrophobicContact CG2-CG2 3.37Å; V321-W323 WeakPolarHBondContact CG1-O 3.33Å; V321-I324 HydrophobicContact CB-CD1 4.18Å; V321-I324 HydrophobicContact CG1-CD1 3.68Å; V321-T343 VanDerWaalsContact O-CB 3.3Å; V321-T343 WeakPolarHBondContact O-CB 3.4Å; V321-T343 PolarHBondContact O-OG1 2.92Å |
| 322 | D | 91.6 | Very high | 79.8 | Confident | 60 Ų | 60 | 28.6 Ų | 28.6 | 32% | 0.321 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -76.3 | -38.4 | 179.7 | -62 | -59.6 | 0 | 0 | 0 | 112.7 | K253 K254 N352 | K253-D322 WeakPolarHBondContact CA-OD2 3.34Å; K253-D322 HydrophobicContact CB-CB 4.07Å; K253-D322 WeakPolarHBondContact CB-OD2 3.39Å; K253-D322 HydrophobicContact CD-CB 4.24Å; K254-D322 PolarHBondContact N-OD2 2.86Å; K254-D322 WeakPolarHBondContact O-CB 3.32Å; K254-D322 PolarHBondContact O-N 3.27Å; D322-N352 PolarHBondContact O-N 2.91Å; D322-N352 PolarHBondContact O-ND2 3.09Å |
| 323 | W | 94.5 | Very high | 81.2 | Confident | 36 Ų | 36 | 29.5 Ų | 29.5 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 127.1 | -175.7 | -77.1 | 88.3 | 0 | 0 | 0 | 112.7 | F246 K254 V255 M256 V321 N352 L354 Y378 | F246-W323 HydrophobicContact CE1-CB 4.45Å; F246-W323 HydrophobicContact CE1-CG 4.44Å; F246-W323 HydrophobicContact CE2-CD2 4.19Å; F246-W323 AromaticContact CE2-CE3 4Å; F246-W323 HydrophobicContact CE2-CE3 4Å; F246-W323 HydrophobicContact CE2-CH2 4.5Å; F246-W323 HydrophobicContact CE2-CZ3 4.16Å; F246-W323 HydrophobicContact CZ-CB 4.18Å; F246-W323 AromaticContact CZ-CD2 3.52Å; F246-W323 HydrophobicContact CZ-CD2 3.52Å; F246-W323 AromaticContact CZ-CE3 3.56Å; F246-W323 HydrophobicContact CZ-CE3 3.56Å; F246-W323 AromaticContact CZ-CG 3.8Å; F246-W323 HydrophobicContact CZ-CG 3.8Å; F246-W323 HydrophobicContact CZ-CZ3 4.2Å; K254-W323 PolarHBondContact O-N 3.34Å; V255-W323 WeakPolarHBondContact CA-O 3.14Å; V255-W323 HydrophobicContact CB-CB 4.48Å; V255-W323 HydrophobicContact CG1-CB 4.03Å; V255-W323 HydrophobicContact CG2-CB 4.22Å; M256-W323 PolarHBondContact N-O 3.07Å; V321-W323 WeakPolarHBondContact CG1-O 3.33Å; W323-N352 CarbonylContact C-O 3.13Å; W323-N352 WeakPolarHBondContact CA-O 3.5Å; W323-N352 HydrophobicContact CD2-CB 3.51Å; W323-N352 HydrophobicContact CE3-CB 3.39Å; W323-N352 HydrophobicContact CG-CB 4.32Å; W323-N352 HydrophobicContact CH2-CB 3.47Å; W323-N352 VanDerWaalsContact CH2-CB 3.47Å; W323-N352 HydrophobicContact CZ2-CB 3.58Å; W323-N352 HydrophobicContact CZ3-CB 3.37Å; W323-L354 HydrophobicContact CE3-CB 4.27Å; W323-L354 HydrophobicContact CZ3-CB 4.1Å; W323-Y378 HydrophobicContact CZ3-CE2 4.44Å |
| 324 | I | 93.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 106 | 165 | -58.3 | -58.7 | 0 | 0 | 0 | 108.2 | M256 F258 V321 Q326 R339 V340 R342 T343 N352 A353 L354 | M256-I324 HydrophobicContact CB-CD1 3.89Å; M256-I324 HydrophobicContact CG-CD1 4.24Å; M256-I324 HydrophobicContact SD-CD1 3.89Å; F258-I324 HydrophobicContact CD2-CG2 4.01Å; F258-I324 HydrophobicContact CE2-CD1 4.42Å; F258-I324 HydrophobicContact CE2-CG2 3.72Å; V321-I324 HydrophobicContact CB-CD1 4.18Å; V321-I324 HydrophobicContact CG1-CD1 3.68Å; I324-Q326 HydrophobicContact CG2-CG 4.24Å; I324-R339 HydrophobicContact CG2-CB 4.43Å; I324-V340 HydrophobicContact CG2-CG1 4.3Å; I324-R342 HydrophobicContact CD1-CB 4.07Å; I324-T343 HydrophobicContact CG1-CG2 3.63Å; I324-N352 PolarHBondContact N-O 2.93Å; I324-A353 HydrophobicContact CB-CB 4.38Å; I324-A353 CarbonylContact O-C 3.59Å; I324-A353 VanDerWaalsContact O-CA 3.28Å; I324-A353 WeakPolarHBondContact O-CA 3.46Å; I324-L354 PolarHBondContact O-N 2.84Å |
| 325 | V | 96.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.7 | 175.5 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | L243 F246 V255 M256 V257 F258 F327 L354 I356 | L243-V325 HydrophobicContact CD1-CG1 4.19Å; F246-V325 HydrophobicContact CD1-CG2 3.94Å; F246-V325 HydrophobicContact CE1-CG2 3.34Å; F246-V325 HydrophobicContact CZ-CG2 3.8Å; V255-V325 HydrophobicContact CG1-CG2 3.93Å; M256-V325 PolarHBondContact O-N 2.95Å; V257-V325 CarbonylContact C-O 3.52Å; V257-V325 VanDerWaalsContact CA-O 3.27Å; V257-V325 WeakPolarHBondContact CA-O 3.24Å; V257-V325 HydrophobicContact CG1-CB 4.3Å; V257-V325 HydrophobicContact CG1-CG1 4.28Å; V257-V325 HydrophobicContact CG2-CB 4.24Å; F258-V325 PolarHBondContact N-O 2.93Å; V325-F327 VanDerWaalsContact C-N 3.32Å; V325-F327 PolarHBondContact O-N 2.96Å; V325-L354 CarbonylContact C-O 3.54Å; V325-L354 WeakPolarHBondContact CA-O 3.48Å; V325-L354 HydrophobicContact CG1-CD2 4.43Å; V325-I356 HydrophobicContact CG1-CD1 4.24Å |
| 326 | Q | 96.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 80.7 | 171.9 | -60.2 | -179.8 | 76.1 | 0 | 0 | 106.7 | I324 D328 Y336 R339 L354 L355 I356 | I324-Q326 HydrophobicContact CG2-CG 4.24Å; Q326-D328 VanDerWaalsContact C-N 3.3Å; Q326-Y336 VanDerWaalsContact OE1-CD2 3.3Å; Q326-R339 VanDerWaalsContact OE1-CD 3.25Å; Q326-L354 PolarHBondContact N-O 2.85Å; Q326-L355 HydrophobicContact CB-CD1 3.69Å; Q326-I356 PolarHBondContact O-N 3.37Å; Q326-I356 VanDerWaalsContact O-N 3.12Å |
| 327 | F | 97.4 | Very high | 85.7 | Confident | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -61.7 | -45.8 | -177.3 | -178.3 | -111.9 | 0 | 0 | 0 | 109.7 | R239 L243 V257 F258 L259 H268 V325 I356 | R239-F327 HydrophobicContact CB-CE2 3.82Å; R239-F327 HydrophobicContact CB-CZ 3.77Å; R239-F327 PolarHBondContact NH2-O 2.69Å; R239-F327 WeakPolarHBondContact O-CE2 3.45Å; L243-F327 HydrophobicContact CB-CD2 3.89Å; L243-F327 HydrophobicContact CB-CE2 3.64Å; L243-F327 HydrophobicContact CB-CZ 4.48Å; L243-F327 HydrophobicContact CD1-CD2 4.15Å; L243-F327 HydrophobicContact CD2-CD1 4.36Å; L243-F327 HydrophobicContact CD2-CD2 3.73Å; L243-F327 HydrophobicContact CD2-CE1 4.43Å; L243-F327 HydrophobicContact CD2-CE2 3.83Å; L243-F327 HydrophobicContact CD2-CG 4.01Å; L243-F327 HydrophobicContact CD2-CZ 4.17Å; L243-F327 HydrophobicContact CG-CD2 4.13Å; L243-F327 HydrophobicContact CG-CE2 4.25Å; V257-F327 HydrophobicContact CG1-CB 3.65Å; F258-F327 WeakPolarHBondContact O-CB 3.29Å; F258-F327 PolarHBondContact O-N 3.1Å; F258-F327 VanDerWaalsContact O-N 3.1Å; L259-F327 HydrophobicContact CD2-CD1 3.89Å; L259-F327 HydrophobicContact CD2-CE1 4.41Å; L259-F327 HydrophobicContact CG-CD1 4.18Å; H268-F327 AromaticContact NE2-CE1 3.85Å; V325-F327 VanDerWaalsContact C-N 3.32Å; V325-F327 PolarHBondContact O-N 2.96Å; F327-I356 HydrophobicContact CD2-CD1 3.78Å; F327-I356 HydrophobicContact CE2-CD1 4.4Å |
| 328 | D | 95.3 | Very high | 86.4 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -101.6 | 136.1 | 165.3 | -65.2 | -38.5 | 0 | 0 | 0 | 110 | R239 F258 L259 S260 Q326 R339 Y413 | R239-D328 IonicContact CZ-OD1 3.95Å; R239-D328 IonicContact NH2-OD1 3.43Å; R239-D328 PolarHBondContact NH2-OD1 3.46Å; F258-D328 PolarHBondContact O-N 2.86Å; F258-D328 VanDerWaalsContact O-N 3.17Å; L259-D328 WeakPolarHBondContact CA-OD2 3.38Å; S260-D328 VanDerWaalsContact CB-OD2 3.24Å; S260-D328 WeakPolarHBondContact CB-OD2 3.31Å; S260-D328 PolarHBondContact N-OD2 3.2Å; S260-D328 PolarHBondContact OG-OD2 3.02Å; Q326-D328 VanDerWaalsContact C-N 3.3Å; D328-R339 PolarHBondContact O-NH1 3.29Å; D328-Y413 VanDerWaalsContact OD1-CE2 3.29Å; D328-Y413 WeakPolarHBondContact OD1-CE2 3.43Å |
| 329 | P | 93.4 | Very high | 87.2 | Confident | 13 Ų | 13 | 30.4 Ų | 30.4 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 150.1 | 175.3 | -28 | 39.4 | 0 | 0 | 0 | 112.6 | L355 L357 F426 | P329-L355 HydrophobicContact CB-CD1 4.31Å; P329-L355 HydrophobicContact CG-CD1 4.42Å; P329-L357 HydrophobicContact CB-CD2 4.18Å; P329-L357 HydrophobicContact CG-CD2 3.59Å; P329-F426 HydrophobicContact CB-CE1 3.73Å; P329-F426 HydrophobicContact CB-CZ 3.74Å; P329-F426 HydrophobicContact CG-CE1 3.86Å; P329-F426 HydrophobicContact CG-CZ 4.26Å |
| 330 | P | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 158.3 | 172 | 27 | -25.8 | 0 | 0 | 0 | 111.6 | D332 D335 Y336 F364 H420 | P330-D332 PolarHBondContact O-N 3.34Å; P330-D335 HydrophobicContact CB-CB 3.86Å; P330-Y336 HydrophobicContact CG-CD2 4.23Å; P330-Y336 HydrophobicContact CG-CG 4.43Å; P330-F364 HydrophobicContact CG-CE1 4.11Å; P330-F364 HydrophobicContact CG-CZ 3.9Å; P330-H420 PolarHBondContact O-NE2 3.39Å |
| 331 | D | 87.3 | Confident | 88.1 | Confident | 57 Ų | 57 | 18.5 Ų | 18.5 | 31% | 0.305 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -59.7 | -32.8 | 179.4 | -73.5 | -37.3 | 0 | 0 | 0 | 113 | H420 | D331-H420 WeakPolarHBondContact CA-NE2 3.47Å; D331-H420 PolarHBondContact O-CE1 3.24Å; D331-H420 VanDerWaalsContact O-CE1 3.27Å; D331-H420 IonicContact OD1-CD2 3.42Å; D331-H420 PolarHBondContact OD1-CD2 2.81Å; D331-H420 IonicContact OD1-CG 2.66Å; D331-H420 IonicContact OD1-NE2 3.5Å |
| 332 | D | 85.4 | Confident | 87.3 | Confident | 46 Ų | 46 | 18.9 Ų | 18.9 | 25% | 0.246 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -151.5 | 168 | -178.7 | 66.7 | 46.4 | 0 | 0 | 0 | 112.5 | P330 K334 D335 Y336 | P330-D332 PolarHBondContact O-N 3.34Å; D332-K334 VanDerWaalsContact C-N 3.26Å; D332-K334 PolarHBondContact O-N 3Å; D332-K334 VanDerWaalsContact OD1-CA 3.3Å; D332-K334 WeakPolarHBondContact OD1-CA 3.42Å; D332-K334 WeakPolarHBondContact OD1-CB 3.28Å; D332-K334 PolarHBondContact OD1-N 3.46Å; D332-D335 PolarHBondContact O-N 2.81Å; D332-D335 PolarHBondContact OD1-N 3.01Å; D332-Y336 PolarHBondContact O-N 3.14Å |
| 333 | P | 86 | Confident | 86.2 | Confident | 19 Ų | 19 | 16.1 Ų | 16.1 | 12% | 0.123 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.4 | -24.8 | 175.9 | -26.6 | 36.5 | 0 | 0 | 0 | 115.3 | Y336 I337 F364 L368 A371 | P333-Y336 WeakPolarHBondContact O-CB 3.49Å; P333-Y336 PolarHBondContact O-N 3.02Å; P333-I337 WeakPolarHBondContact O-CG1 3.47Å; P333-I337 PolarHBondContact O-N 3.17Å; P333-F364 HydrophobicContact CG-CE2 4.49Å; P333-L368 HydrophobicContact CB-CD2 4Å; P333-L368 HydrophobicContact CG-CD2 4.34Å; P333-A371 HydrophobicContact CB-CB 3.51Å; P333-A371 HydrophobicContact CG-CB 4.24Å |
| 334 | K | 79.8 | Confident | 84.9 | Confident | 48 Ų | 48 | 14.8 Ų | 14.8 | 21% | 0.209 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.6 | -45.4 | 179.1 | -177.9 | -172.8 | -177.1 | -175.8 | 0 | 109.4 | D163 D167 T193 D332 Y336 I337 H338 | D163-K334 WeakPolarHBondContact OD2-CE 3.29Å; D163-K334 IonicContact OD2-NZ 3.36Å; D163-K334 PolarHBondContact OD2-NZ 2.81Å; D167-K334 IonicContact OD2-NZ 3.76Å; D167-K334 PolarHBondContact OD2-NZ 3.41Å; T193-K334 HydrophobicContact CG2-CD 4.36Å; D332-K334 VanDerWaalsContact C-N 3.26Å; D332-K334 PolarHBondContact O-N 3Å; D332-K334 VanDerWaalsContact OD1-CA 3.3Å; D332-K334 WeakPolarHBondContact OD1-CA 3.42Å; D332-K334 WeakPolarHBondContact OD1-CB 3.28Å; D332-K334 PolarHBondContact OD1-N 3.46Å; K334-Y336 VanDerWaalsContact C-N 3.33Å; K334-Y336 PolarHBondContact O-N 2.7Å; K334-I337 PolarHBondContact O-N 2.73Å; K334-H338 VanDerWaalsContact O-CG 3.28Å; K334-H338 PolarHBondContact O-N 2.88Å; K334-H338 PolarHBondContact O-ND1 3.22Å |
| 335 | D | 83.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.037 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 173.8 | -86.5 | -8.7 | 0 | 0 | 0 | 111.5 | R164 R314 P330 D332 I337 H338 R339 | R164-D335 IonicContact NH1-OD1 3.83Å; R164-D335 PolarHBondContact NH1-OD1 3.28Å; R164-D335 VanDerWaalsContact NH1-OD1 3.17Å; R314-D335 IonicContact CZ-OD2 3.4Å; R314-D335 IonicContact NE-OD1 2.67Å; R314-D335 IonicContact NH2-OD1 3.67Å; R314-D335 IonicContact NH2-OD2 3.59Å; R314-D335 PolarHBondContact NH2-OD2 3.32Å; P330-D335 HydrophobicContact CB-CB 3.86Å; D332-D335 PolarHBondContact O-N 2.81Å; D332-D335 PolarHBondContact OD1-N 3.01Å; D335-I337 PolarHBondContact O-N 2.91Å; D335-H338 PolarHBondContact O-N 3.1Å; D335-H338 IonicContact OD1-ND1 2.77Å; D335-R339 VanDerWaalsContact O-CG 3.25Å; D335-R339 WeakPolarHBondContact O-CG 3.41Å; D335-R339 PolarHBondContact O-N 2.57Å |
| 336 | Y | 87.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.2 | -53.5 | 169.8 | -179.2 | -78 | 0 | 0 | 0 | 111.6 | Q229 Q326 P330 D332 P333 K334 H338 R339 V340 L355 L368 V373 V375 | Q229-Y336 PolarHBondContact OE1-OH 2.64Å; Q326-Y336 VanDerWaalsContact OE1-CD2 3.3Å; P330-Y336 HydrophobicContact CG-CD2 4.23Å; P330-Y336 HydrophobicContact CG-CG 4.43Å; D332-Y336 PolarHBondContact O-N 3.14Å; P333-Y336 WeakPolarHBondContact O-CB 3.49Å; P333-Y336 PolarHBondContact O-N 3.02Å; K334-Y336 VanDerWaalsContact C-N 3.33Å; K334-Y336 PolarHBondContact O-N 2.7Å; Y336-H338 PolarHBondContact O-N 2.77Å; Y336-R339 PolarHBondContact O-N 3.19Å; Y336-R339 VanDerWaalsContact O-N 3.14Å; Y336-V340 HydrophobicContact CD1-CG1 4.24Å; Y336-V340 HydrophobicContact CD1-CG2 4.23Å; Y336-V340 HydrophobicContact CE1-CB 4.46Å; Y336-V340 HydrophobicContact CE1-CG1 3.72Å; Y336-V340 HydrophobicContact CE1-CG2 3.9Å; Y336-V340 HydrophobicContact CE2-CG1 4.47Å; Y336-V340 WeakPolarHBondContact O-CG2 3.46Å; Y336-V340 PolarHBondContact O-N 2.76Å; Y336-L355 HydrophobicContact CD2-CD2 4.47Å; Y336-L355 HydrophobicContact CE2-CB 4.36Å; Y336-L355 HydrophobicContact CE2-CD2 4.13Å; Y336-L368 HydrophobicContact CD1-CD2 4.08Å; Y336-L368 HydrophobicContact CD2-CD1 4.16Å; Y336-L368 HydrophobicContact CD2-CD2 3.86Å; Y336-L368 HydrophobicContact CE2-CD1 4.09Å; Y336-L368 HydrophobicContact CE2-CD2 4.45Å; Y336-L368 HydrophobicContact CG-CD2 3.66Å; Y336-V373 HydrophobicContact CD1-CG1 3.76Å; Y336-V373 HydrophobicContact CE1-CG1 3.33Å; Y336-V375 WeakPolarHBondContact OH-CG1 3.45Å |
| 337 | I | 80.8 | Confident | 79.9 | Confident | 42 Ų | 42 | 27.9 Ų | 27.9 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -39.4 | -179.1 | -67.1 | 160.2 | 0 | 0 | 0 | 110.5 | A222 P333 K334 D335 G341 V373 | A222-I337 HydrophobicContact CB-CD1 3.66Å; A222-I337 HydrophobicContact CB-CG1 4.26Å; P333-I337 WeakPolarHBondContact O-CG1 3.47Å; P333-I337 PolarHBondContact O-N 3.17Å; K334-I337 PolarHBondContact O-N 2.73Å; D335-I337 PolarHBondContact O-N 2.91Å; I337-G341 PolarHBondContact O-N 3.12Å; I337-V373 HydrophobicContact CD1-CG2 3.85Å; I337-V373 HydrophobicContact CG1-CG2 3.67Å |
| 338 | H | 77.3 | Confident | 78.2 | Confident | 28 Ų | 28 | 31 Ų | 31 | 13% | 0.13 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | 177.5 | -67.7 | 160.6 | 0 | 0 | 0 | 114.1 | K334 D335 Y336 R342 | K334-H338 VanDerWaalsContact O-CG 3.28Å; K334-H338 PolarHBondContact O-N 2.88Å; K334-H338 PolarHBondContact O-ND1 3.22Å; D335-H338 PolarHBondContact O-N 3.1Å; D335-H338 IonicContact OD1-ND1 2.77Å; Y336-H338 PolarHBondContact O-N 2.77Å; H338-R342 PolarHBondContact O-NE 3.14Å; H338-R342 VanDerWaalsContact O-NE 3.12Å |
| 339 | R | 85.5 | Confident | 77 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.1 | -48.6 | 176.6 | -69.1 | 176.8 | 174.6 | -172.3 | 0.3 | 110.7 | F258 D310 I324 Q326 D328 D335 Y336 R342 | F258-R339 HydrophobicContact CD1-CB 4.46Å; F258-R339 HydrophobicContact CD1-CG 3.67Å; F258-R339 HydrophobicContact CD2-CB 4.43Å; F258-R339 HydrophobicContact CD2-CG 4.41Å; F258-R339 HydrophobicContact CE1-CB 4.07Å; F258-R339 HydrophobicContact CE1-CG 3.51Å; F258-R339 HydrophobicContact CE2-CB 4.1Å; F258-R339 HydrophobicContact CE2-CG 4.33Å; F258-R339 HydrophobicContact CG-CG 4.11Å; F258-R339 HydrophobicContact CZ-CB 3.89Å; F258-R339 HydrophobicContact CZ-CG 3.89Å; D310-R339 IonicContact OD1-CZ 3.07Å; D310-R339 IonicContact OD1-NE 3.38Å; D310-R339 PolarHBondContact OD1-NE 3.12Å; D310-R339 IonicContact OD1-NH2 3.74Å; D310-R339 PolarHBondContact OD1-NH2 2.92Å; D310-R339 IonicContact OD2-CZ 2.99Å; D310-R339 IonicContact OD2-NE 2.88Å; D310-R339 IonicContact OD2-NH2 3.32Å; D310-R339 PolarHBondContact OD2-NH2 2.7Å; I324-R339 HydrophobicContact CG2-CB 4.43Å; Q326-R339 VanDerWaalsContact OE1-CD 3.25Å; D328-R339 PolarHBondContact O-NH1 3.29Å; D335-R339 VanDerWaalsContact O-CG 3.25Å; D335-R339 WeakPolarHBondContact O-CG 3.41Å; D335-R339 PolarHBondContact O-N 2.57Å; Y336-R339 PolarHBondContact O-N 3.19Å; Y336-R339 VanDerWaalsContact O-N 3.14Å; R339-R342 WeakPolarHBondContact O-CG 3.13Å |
| 340 | V | 83.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.5 | -23.1 | -177.3 | -54.1 | 0 | 0 | 0 | 0 | 113.2 | T223 L227 I324 Y336 R342 T343 A353 | T223-V340 HydrophobicContact CG2-CG2 3.84Å; L227-V340 HydrophobicContact CD2-CB 3.65Å; L227-V340 HydrophobicContact CD2-CG2 3.64Å; I324-V340 HydrophobicContact CG2-CG1 4.3Å; Y336-V340 HydrophobicContact CD1-CG1 4.24Å; Y336-V340 HydrophobicContact CD1-CG2 4.23Å; Y336-V340 HydrophobicContact CE1-CB 4.46Å; Y336-V340 HydrophobicContact CE1-CG1 3.72Å; Y336-V340 HydrophobicContact CE1-CG2 3.9Å; Y336-V340 HydrophobicContact CE2-CG1 4.47Å; Y336-V340 WeakPolarHBondContact O-CG2 3.46Å; Y336-V340 PolarHBondContact O-N 2.76Å; V340-R342 PolarHBondContact O-N 3.27Å; V340-T343 WeakPolarHBondContact O-CG2 3.48Å; V340-T343 PolarHBondContact O-N 3Å; V340-T343 VanDerWaalsContact O-N 3.12Å; V340-A353 HydrophobicContact CB-CB 4.25Å; V340-A353 HydrophobicContact CG1-CB 3.58Å |
| 341 | G | 76 | Confident | 76.1 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 1.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | I337 R345 | I337-G341 PolarHBondContact O-N 3.12Å; G341-R345 VanDerWaalsContact O-CZ 3.26Å; G341-R345 PolarHBondContact O-NE 3.47Å; G341-R345 PolarHBondContact O-NH2 3.31Å |
| 342 | R | 70.9 | Confident | 76.4 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.038 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -11.1 | 175.2 | -50.9 | -66.4 | 139.2 | -175.5 | 2.8 | 113 | M256 L316 I324 H338 R339 V340 | M256-R342 HydrophobicContact SD-CB 4.36Å; L316-R342 VanDerWaalsContact C-NH1 3.26Å; L316-R342 WeakPolarHBondContact O-CD 3.26Å; L316-R342 PolarHBondContact O-NH1 3.37Å; I324-R342 HydrophobicContact CD1-CB 4.07Å; H338-R342 PolarHBondContact O-NE 3.14Å; H338-R342 VanDerWaalsContact O-NE 3.12Å; R339-R342 WeakPolarHBondContact O-CG 3.13Å; V340-R342 PolarHBondContact O-N 3.27Å |
| 343 | T | 69.6 | Low | 76.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -115.2 | 174.3 | 177.6 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | L227 V321 I324 V340 R345 G351 | L227-T343 HydrophobicContact CD1-CG2 3.3Å; L227-T343 HydrophobicContact CG-CG2 4.44Å; V321-T343 VanDerWaalsContact O-CB 3.3Å; V321-T343 WeakPolarHBondContact O-CB 3.4Å; V321-T343 PolarHBondContact O-OG1 2.92Å; I324-T343 HydrophobicContact CG1-CG2 3.63Å; V340-T343 WeakPolarHBondContact O-CG2 3.48Å; V340-T343 PolarHBondContact O-N 3Å; V340-T343 VanDerWaalsContact O-N 3.12Å; T343-R345 VanDerWaalsContact C-N 3.28Å; T343-R345 PolarHBondContact O-N 2.87Å; T343-G351 VanDerWaalsContact OG1-CA 3.32Å; T343-G351 WeakPolarHBondContact OG1-CA 3.43Å |
| 344 | A | 66.8 | Low | 77.2 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 50.8 | 41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | V224 G226 L227 G349 | V224-A344 HydrophobicContact CG2-CB 3.65Å; G226-A344 VanDerWaalsContact C-CB 3.48Å; G226-A344 WeakPolarHBondContact O-CB 3.44Å; L227-A344 HydrophobicContact CB-CB 3.95Å; A344-G349 WeakPolarHBondContact CA-O 3.42Å; A344-G349 WeakPolarHBondContact CB-O 3.32Å |
| 345 | R | 66.7 | Low | 78.1 | Confident | 51 Ų | 51 | 36.2 Ų | 36.2 | 19% | 0.192 | 21% | 0.208 | C | C | . | . | trans | -89.3 | 146.1 | -179.4 | -66.2 | -175.3 | 174.1 | -156.9 | -4.3 | 111.8 | D317 G341 T343 | D317-R345 IonicContact OD1-CZ 3.8Å; D317-R345 IonicContact OD1-NH1 3.79Å; D317-R345 PolarHBondContact OD1-NH1 2.88Å; D317-R345 IonicContact OD2-NH1 3.66Å; D317-R345 PolarHBondContact OD2-NH1 3.19Å; G341-R345 VanDerWaalsContact O-CZ 3.26Å; G341-R345 PolarHBondContact O-NE 3.47Å; G341-R345 PolarHBondContact O-NH2 3.31Å; T343-R345 VanDerWaalsContact C-N 3.28Å; T343-R345 PolarHBondContact O-N 2.87Å | ||
| 346 | G | 56.4 | Low | 78.7 | Confident | 63 Ų | 63 | 36 Ų | 36 | 65% | 0.649 | 21% | 0.206 | S | C | * | . | S | Bend | trans | 81.4 | 171.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G348 G349 | G346-G348 PolarHBondContact O-N 3.24Å; G346-G349 PolarHBondContact O-N 3.31Å; G346-G349 VanDerWaalsContact O-N 3.14Å |
| 347 | E | 56.9 | Low | 79.2 | Confident | 161 Ų | 161 | 36 Ų | 36 | 75% | 0.752 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 124.7 | 178.5 | -169.5 | 165.4 | -160.7 | 0 | 0 | 110.4 | G349 | E347-G349 PolarHBondContact O-N 3.08Š|
| 348 | G | 61.8 | Low | 79.8 | Confident | 74 Ų | 74 | 34.5 Ų | 34.5 | 76% | 0.763 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 4.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G346 R350 | G346-G348 PolarHBondContact O-N 3.24Å; G348-R350 PolarHBondContact O-N 3.45Å |
| 349 | G | 69.6 | Low | 80.6 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | trans | -62 | 122.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G226 A344 G346 E347 | G226-G349 WeakPolarHBondContact CA-O 3.3Å; A344-G349 WeakPolarHBondContact CA-O 3.42Å; A344-G349 WeakPolarHBondContact CB-O 3.32Å; G346-G349 PolarHBondContact O-N 3.31Å; G346-G349 VanDerWaalsContact O-N 3.14Å; E347-G349 PolarHBondContact O-N 3.08Å | ||
| 350 | R | 80.5 | Confident | 80.9 | Confident | 222 Ų | 222 | 40.4 Ų | 40.4 | 84% | 0.838 | 24% | 0.239 | S | C | * | . | trans | -109.2 | 153 | 177.2 | -68.7 | -178.2 | 175.9 | 177.4 | -1.6 | 111.2 | G226 G348 | G226-R350 WeakPolarHBondContact O-CA 3.36Å; G348-R350 PolarHBondContact O-N 3.45Å | ||
| 351 | G | 87 | Confident | 81.4 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 175.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113.4 | G226 L227 S228 T343 | G226-G351 PolarHBondContact O-N 3.23Å; G226-G351 VanDerWaalsContact O-N 3.15Å; L227-G351 WeakPolarHBondContact CA-O 3.42Å; S228-G351 PolarHBondContact N-O 3.42Å; T343-G351 VanDerWaalsContact OG1-CA 3.32Å; T343-G351 WeakPolarHBondContact OG1-CA 3.43Å |
| 352 | N | 92.4 | Very high | 82.3 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 144.8 | -169.2 | -51.7 | -87.7 | 0 | 0 | 0 | 111 | S228 D322 W323 I324 | S228-N352 CarbonylContact O-C 3.36Å; S228-N352 VanDerWaalsContact O-CA 3.25Å; S228-N352 WeakPolarHBondContact O-CA 3.44Å; D322-N352 PolarHBondContact O-N 2.91Å; D322-N352 PolarHBondContact O-ND2 3.09Å; W323-N352 CarbonylContact C-O 3.13Å; W323-N352 WeakPolarHBondContact CA-O 3.5Å; W323-N352 HydrophobicContact CD2-CB 3.51Å; W323-N352 HydrophobicContact CE3-CB 3.39Å; W323-N352 HydrophobicContact CG-CB 4.32Å; W323-N352 HydrophobicContact CH2-CB 3.47Å; W323-N352 VanDerWaalsContact CH2-CB 3.47Å; W323-N352 HydrophobicContact CZ2-CB 3.58Å; W323-N352 HydrophobicContact CZ3-CB 3.37Å; I324-N352 PolarHBondContact N-O 2.93Å |
| 353 | A | 93.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L227 S228 Q229 G230 I324 V340 | L227-A353 HydrophobicContact CD1-CB 4.16Å; S228-A353 PolarHBondContact O-N 3.43Å; Q229-A353 HydrophobicContact CB-CB 4.45Å; Q229-A353 HydrophobicContact CG-CB 4.15Å; G230-A353 PolarHBondContact N-O 2.99Å; I324-A353 HydrophobicContact CB-CB 4.38Å; I324-A353 CarbonylContact O-C 3.59Å; I324-A353 VanDerWaalsContact O-CA 3.28Å; I324-A353 WeakPolarHBondContact O-CA 3.46Å; V340-A353 HydrophobicContact CB-CB 4.25Å; V340-A353 HydrophobicContact CG1-CB 3.58Å |
| 354 | L | 96.2 | Very high | 84.7 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.1 | 175.3 | 170.8 | 61.7 | 0 | 0 | 0 | 109.1 | G230 I232 F246 W323 I324 V325 Q326 I356 Y378 | G230-L354 WeakPolarHBondContact O-CA 3.02Å; I232-L354 HydrophobicContact CB-CD1 4.2Å; I232-L354 HydrophobicContact CD1-CD1 3.65Å; I232-L354 HydrophobicContact CD1-CD2 4.39Å; I232-L354 HydrophobicContact CG1-CD1 3.69Å; F246-L354 HydrophobicContact CD2-CD2 3.91Å; F246-L354 HydrophobicContact CE2-CD2 3.88Å; F246-L354 HydrophobicContact CZ-CD2 4.48Å; W323-L354 HydrophobicContact CE3-CB 4.27Å; W323-L354 HydrophobicContact CZ3-CB 4.1Å; I324-L354 PolarHBondContact O-N 2.84Å; V325-L354 CarbonylContact C-O 3.54Å; V325-L354 WeakPolarHBondContact CA-O 3.48Å; V325-L354 HydrophobicContact CG1-CD2 4.43Å; Q326-L354 PolarHBondContact N-O 2.85Å; L354-I356 HydrophobicContact CD2-CD1 4.49Å; L354-I356 HydrophobicContact CD2-CG1 4.43Å; L354-I356 HydrophobicContact CG-CG1 4.25Å; L354-Y378 HydrophobicContact CD1-CD2 3.95Å; L354-Y378 HydrophobicContact CD1-CE2 4.41Å |
| 355 | L | 97.1 | Very high | 86 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.1 | 170.1 | -179.9 | 65.3 | 0 | 0 | 0 | 110.1 | G230 Y231 I232 Q326 P329 Y336 L357 F364 L368 | G230-L355 PolarHBondContact O-N 3.41Å; Y231-L355 CarbonylContact C-O 3.53Å; Y231-L355 WeakPolarHBondContact CA-O 3.42Å; Y231-L355 WeakPolarHBondContact CB-O 3.31Å; I232-L355 PolarHBondContact N-O 3.46Å; Q326-L355 HydrophobicContact CB-CD1 3.69Å; P329-L355 HydrophobicContact CB-CD1 4.31Å; P329-L355 HydrophobicContact CG-CD1 4.42Å; Y336-L355 HydrophobicContact CD2-CD2 4.47Å; Y336-L355 HydrophobicContact CE2-CB 4.36Å; Y336-L355 HydrophobicContact CE2-CD2 4.13Å; L355-L357 HydrophobicContact CD1-CD2 4.38Å; L355-L357 HydrophobicContact CD2-CD1 3.95Å; L355-L357 HydrophobicContact CD2-CD2 4.01Å; L355-L357 HydrophobicContact CD2-CG 3.99Å; L355-L357 HydrophobicContact CG-CD1 4.41Å; L355-L357 HydrophobicContact CG-CD2 4.06Å; L355-L357 HydrophobicContact CG-CG 3.95Å; L355-F364 HydrophobicContact CD2-CD1 4.17Å; L355-F364 HydrophobicContact CD2-CE1 4.31Å; L355-L368 HydrophobicContact CD2-CD1 3.88Å |
| 356 | I | 97.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.2 | 175.7 | -63.9 | 170 | 0 | 0 | 0 | 107.8 | C234 R239 L242 V325 Q326 F327 L354 | C234-I356 HydrophobicContact CB-CG2 3.64Å; R239-I356 HydrophobicContact CG-CG2 4.16Å; L242-I356 HydrophobicContact CD2-CD1 3.81Å; L242-I356 HydrophobicContact CD2-CG1 3.96Å; L242-I356 HydrophobicContact CD2-CG2 4.29Å; L242-I356 HydrophobicContact CG-CD1 4.31Å; V325-I356 HydrophobicContact CG1-CD1 4.24Å; Q326-I356 PolarHBondContact O-N 3.37Å; Q326-I356 VanDerWaalsContact O-N 3.12Å; F327-I356 HydrophobicContact CD2-CD1 3.78Å; F327-I356 HydrophobicContact CE2-CD1 4.4Å; L354-I356 HydrophobicContact CD2-CD1 4.49Å; L354-I356 HydrophobicContact CD2-CG1 4.43Å; L354-I356 HydrophobicContact CG-CG1 4.25Å |
| 357 | L | 96.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.6 | 179.9 | -65.6 | 173.9 | 0 | 0 | 0 | 110.7 | Y231 I232 V233 C234 P329 L355 E361 L362 F364 L365 | Y231-L357 HydrophobicContact CD2-CD1 4.24Å; Y231-L357 HydrophobicContact CG-CD1 4.48Å; I232-L357 PolarHBondContact O-N 2.55Å; V233-L357 CarbonylContact C-O 3.54Å; V233-L357 VanDerWaalsContact CA-O 3.32Å; V233-L357 WeakPolarHBondContact CA-O 3.39Å; C234-L357 PolarHBondContact N-O 3.2Å; P329-L357 HydrophobicContact CB-CD2 4.18Å; P329-L357 HydrophobicContact CG-CD2 3.59Å; L355-L357 HydrophobicContact CD1-CD2 4.38Å; L355-L357 HydrophobicContact CD2-CD1 3.95Å; L355-L357 HydrophobicContact CD2-CD2 4.01Å; L355-L357 HydrophobicContact CD2-CG 3.99Å; L355-L357 HydrophobicContact CG-CD1 4.41Å; L355-L357 HydrophobicContact CG-CD2 4.06Å; L355-L357 HydrophobicContact CG-CG 3.95Å; L357-E361 WeakPolarHBondContact CA-OE2 3.36Å; L357-E361 HydrophobicContact CB-CB 4.27Å; L357-E361 HydrophobicContact CD2-CB 3.93Å; L357-L362 HydrophobicContact CD1-CD2 4.46Å; L357-F364 HydrophobicContact CD2-CD1 4.43Å; L357-L365 HydrophobicContact CD1-CD1 4.43Å; L357-L365 HydrophobicContact CD1-CD2 3.63Å; L357-L365 HydrophobicContact CD1-CG 3.9Å |
| 358 | Q | 94.5 | Very high | 90.6 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | trans | -72.9 | 157.4 | 161.9 | -58.7 | -179.6 | 70.9 | 0 | 0 | 110 | V236 T360 E361 L362 Y413 | V236-Q358 HydrophobicContact CB-CG 4.23Å; Q358-T360 PolarHBondContact O-N 3.29Å; Q358-T360 VanDerWaalsContact O-N 3.15Å; Q358-E361 HydrophobicContact CB-CB 4.4Å; Q358-E361 HydrophobicContact CB-CG 3.9Å; Q358-E361 HydrophobicContact CG-CG 4.41Å; Q358-E361 PolarHBondContact N-OE2 3.41Å; Q358-E361 PolarHBondContact NE2-OE1 2.77Å; Q358-E361 WeakPolarHBondContact O-CB 3.46Å; Q358-E361 PolarHBondContact O-N 2.99Å; Q358-L362 PolarHBondContact O-N 3.04Å; Q358-Y413 PolarHBondContact NE2-OH 3.27Å | ||
| 359 | P | 93.3 | Very high | 91.9 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 49% | 0.494 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -52.7 | -36.7 | 174.7 | -27.3 | 34.5 | 0 | 0 | 0 | 113.7 | V233 E361 L362 | V233-P359 HydrophobicContact CG1-CB 4.26Å; V233-P359 HydrophobicContact CG1-CG 3.8Å; P359-E361 VanDerWaalsContact C-N 3.3Å; P359-E361 PolarHBondContact O-N 3.16Å; P359-L362 WeakPolarHBondContact O-CG 3.44Å |
| 360 | T | 91.9 | Very high | 92.6 | Very high | 80 Ų | 80 | 55.8 Ų | 55.8 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -71.5 | -22.9 | 177.9 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | Q358 | Q358-T360 PolarHBondContact O-N 3.29Å; Q358-T360 VanDerWaalsContact O-N 3.15Å |
| 361 | E | 95 | Very high | 92.8 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -88.4 | -6 | -177.6 | -62.5 | 169.1 | 172.8 | 0 | 0 | 112.9 | L357 Q358 P359 K363 F364 Y417 I425 F426 | L357-E361 WeakPolarHBondContact CA-OE2 3.36Å; L357-E361 HydrophobicContact CB-CB 4.27Å; L357-E361 HydrophobicContact CD2-CB 3.93Å; Q358-E361 HydrophobicContact CB-CB 4.4Å; Q358-E361 HydrophobicContact CB-CG 3.9Å; Q358-E361 HydrophobicContact CG-CG 4.41Å; Q358-E361 PolarHBondContact N-OE2 3.41Å; Q358-E361 PolarHBondContact NE2-OE1 2.77Å; Q358-E361 WeakPolarHBondContact O-CB 3.46Å; Q358-E361 PolarHBondContact O-N 2.99Å; P359-E361 VanDerWaalsContact C-N 3.3Å; P359-E361 PolarHBondContact O-N 3.16Å; E361-K363 PolarHBondContact O-N 3.38Å; E361-F364 WeakPolarHBondContact O-CB 3.49Å; E361-F364 PolarHBondContact O-N 3.12Å; E361-Y417 WeakPolarHBondContact OE1-CE2 3.48Å; E361-I425 HydrophobicContact CB-CG2 4.48Å; E361-F426 HydrophobicContact CB-CE1 4.02Å; E361-F426 HydrophobicContact CB-CZ 4.4Å; E361-F426 HydrophobicContact CG-CD1 3.87Å; E361-F426 HydrophobicContact CG-CE1 3.56Å; E361-F426 HydrophobicContact CG-CZ 4.39Å |
| 362 | L | 94.8 | Very high | 92.7 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -53.8 | -26.9 | -178.6 | -81.3 | 176.7 | 0 | 0 | 0 | 114.1 | Y231 V233 L357 Q358 P359 F364 L365 | Y231-L362 HydrophobicContact CD2-CD2 4.37Å; Y231-L362 HydrophobicContact CE2-CD2 3.81Å; V233-L362 HydrophobicContact CG2-CD1 4.36Å; V233-L362 HydrophobicContact CG2-CD2 3.66Å; V233-L362 HydrophobicContact CG2-CG 4.32Å; L357-L362 HydrophobicContact CD1-CD2 4.46Å; Q358-L362 PolarHBondContact O-N 3.04Å; P359-L362 WeakPolarHBondContact O-CG 3.44Å; L362-F364 PolarHBondContact O-N 3.1Å; L362-F364 VanDerWaalsContact O-N 3.16Å; L362-L365 HydrophobicContact CD2-CD1 3.76Å; L362-L365 VanDerWaalsContact O-CB 3.29Å; L362-L365 WeakPolarHBondContact O-CB 3.44Å; L362-L365 VanDerWaalsContact O-CG 3.28Å; L362-L365 WeakPolarHBondContact O-CG 3.45Å; L362-L365 PolarHBondContact O-N 2.93Å; L362-L365 VanDerWaalsContact O-N 3.08Å |
| 363 | K | 94.4 | Very high | 92.3 | Very high | 144 Ų | 144 | 49.6 Ų | 49.6 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -61.2 | -20.6 | 175 | -67.3 | -179.6 | -176.4 | 177.3 | 0 | 112.8 | E361 L365 F366 I425 | E361-K363 PolarHBondContact O-N 3.38Å; K363-L365 PolarHBondContact O-N 2.78Å; K363-F366 VanDerWaalsContact O-CB 3.31Å; K363-F366 WeakPolarHBondContact O-CB 3.41Å; K363-F366 PolarHBondContact O-N 2.91Å; K363-F366 VanDerWaalsContact O-N 3.17Å; K363-I425 HydrophobicContact CB-CD1 3.8Å; K363-I425 HydrophobicContact CB-CG1 3.8Å; K363-I425 HydrophobicContact CB-CG2 4.37Å |
| 364 | F | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -29 | 174.5 | -174.6 | -115 | 0 | 0 | 0 | 112.5 | P330 P333 L355 L357 E361 L362 F366 Y367 L368 L422 F426 | P330-F364 HydrophobicContact CG-CE1 4.11Å; P330-F364 HydrophobicContact CG-CZ 3.9Å; P333-F364 HydrophobicContact CG-CE2 4.49Å; L355-F364 HydrophobicContact CD2-CD1 4.17Å; L355-F364 HydrophobicContact CD2-CE1 4.31Å; L357-F364 HydrophobicContact CD2-CD1 4.43Å; E361-F364 WeakPolarHBondContact O-CB 3.49Å; E361-F364 PolarHBondContact O-N 3.12Å; L362-F364 PolarHBondContact O-N 3.1Å; L362-F364 VanDerWaalsContact O-N 3.16Å; F364-F366 PolarHBondContact O-N 3.27Å; F364-Y367 WeakPolarHBondContact O-CB 3.34Å; F364-Y367 PolarHBondContact O-N 2.83Å; F364-L368 HydrophobicContact CD1-CD1 4.04Å; F364-L368 HydrophobicContact CD1-CG 4.08Å; F364-L368 HydrophobicContact CE1-CD1 3.88Å; F364-L368 HydrophobicContact CE1-CD2 3.76Å; F364-L368 HydrophobicContact CE1-CG 3.78Å; F364-L368 HydrophobicContact CZ-CD2 3.96Å; F364-L368 HydrophobicContact CZ-CG 4.28Å; F364-L368 PolarHBondContact O-N 3.42Å; F364-L368 VanDerWaalsContact O-N 3.13Å; F364-L422 HydrophobicContact CD2-CD1 3.77Å; F364-L422 HydrophobicContact CE2-CD1 3.88Å; F364-F426 HydrophobicContact CB-CE2 4.31Å; F364-F426 HydrophobicContact CB-CZ 4.14Å; F364-F426 AromaticContact CD2-CE2 4Å; F364-F426 HydrophobicContact CD2-CE2 4Å; F364-F426 HydrophobicContact CD2-CZ 4.25Å; F364-F426 HydrophobicContact CG-CE2 4.31Å; F364-F426 HydrophobicContact CG-CZ 4.15Å |
| 365 | L | 94.5 | Very high | 91.5 | Very high | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -29.7 | 176.6 | -59.3 | 179.4 | 0 | 0 | 0 | 112.6 | Y231 L357 L362 K363 L368 K369 V375 | Y231-L365 HydrophobicContact CD1-CD1 4.18Å; Y231-L365 HydrophobicContact CD1-CD2 3.95Å; Y231-L365 HydrophobicContact CD2-CD1 4.22Å; Y231-L365 HydrophobicContact CE1-CD1 3.7Å; Y231-L365 HydrophobicContact CE1-CD2 4.25Å; Y231-L365 HydrophobicContact CE2-CD1 3.8Å; Y231-L365 HydrophobicContact CG-CD1 4.41Å; Y231-L365 HydrophobicContact CG-CD2 4.09Å; Y231-L365 VanDerWaalsContact CZ-CD1 3.49Å; L357-L365 HydrophobicContact CD1-CD1 4.43Å; L357-L365 HydrophobicContact CD1-CD2 3.63Å; L357-L365 HydrophobicContact CD1-CG 3.9Å; L362-L365 HydrophobicContact CD2-CD1 3.76Å; L362-L365 VanDerWaalsContact O-CB 3.29Å; L362-L365 WeakPolarHBondContact O-CB 3.44Å; L362-L365 VanDerWaalsContact O-CG 3.28Å; L362-L365 WeakPolarHBondContact O-CG 3.45Å; L362-L365 PolarHBondContact O-N 2.93Å; L362-L365 VanDerWaalsContact O-N 3.08Å; K363-L365 PolarHBondContact O-N 2.78Å; L365-L368 HydrophobicContact CD2-CD1 4.23Å; L365-L368 PolarHBondContact O-N 3.33Å; L365-K369 WeakPolarHBondContact O-CB 3.46Å; L365-K369 PolarHBondContact O-N 2.86Å; L365-V375 HydrophobicContact CD2-CG2 3.57Å |
| 366 | F | 92.6 | Very high | 91.3 | Very high | 123 Ų | 123 | 58.7 Ų | 58.7 | 54% | 0.539 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 174.4 | 176.7 | -99 | 0 | 0 | 0 | 111.6 | K363 F364 K369 Q370 | K363-F366 VanDerWaalsContact O-CB 3.31Å; K363-F366 WeakPolarHBondContact O-CB 3.41Å; K363-F366 PolarHBondContact O-N 2.91Å; K363-F366 VanDerWaalsContact O-N 3.17Å; F364-F366 PolarHBondContact O-N 3.27Å; F366-K369 PolarHBondContact O-N 3.42Å; F366-Q370 VanDerWaalsContact CE1-CD 3.48Å; F366-Q370 HydrophobicContact CE1-CG 4.2Å; F366-Q370 HydrophobicContact CZ-CG 4.32Å; F366-Q370 WeakPolarHBondContact O-CG 3.36Å; F366-Q370 PolarHBondContact O-N 2.82Å |
| 367 | Y | 92.2 | Very high | 91.3 | Very high | 67 Ų | 67 | 63.9 Ų | 63.9 | 26% | 0.263 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 177.6 | -73 | -85.6 | 0 | 0 | 0 | 112 | F364 K369 Q370 A371 L422 H424 I425 | F364-Y367 WeakPolarHBondContact O-CB 3.34Å; F364-Y367 PolarHBondContact O-N 2.83Å; Y367-K369 VanDerWaalsContact C-N 3.35Å; Y367-Q370 PolarHBondContact O-N 2.77Å; Y367-A371 WeakPolarHBondContact O-CB 3.27Å; Y367-A371 PolarHBondContact O-N 2.85Å; Y367-L422 HydrophobicContact CD2-CD1 4.22Å; Y367-L422 HydrophobicContact CE1-CD2 4.17Å; Y367-L422 HydrophobicContact CE2-CD1 4.46Å; Y367-L422 HydrophobicContact CE2-CD2 4.5Å; Y367-L422 HydrophobicContact CG-CD1 4.3Å; Y367-H424 AromaticContact CE2-NE2 3.68Å; Y367-H424 AromaticContact CZ-CE1 3.92Å; Y367-H424 AromaticContact CZ-NE2 3.78Å; Y367-H424 PolarHBondContact OH-CE1 3.45Å; Y367-H424 PolarHBondContact OH-NE2 3.37Å; Y367-H424 VanDerWaalsContact OH-NE2 3.1Å; Y367-I425 HydrophobicContact CD2-CD1 3.71Å; Y367-I425 HydrophobicContact CE2-CD1 3.51Å |
| 368 | L | 91.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 172.5 | -67.4 | -177.9 | 0 | 0 | 0 | 111.4 | P333 Y336 L355 F364 L365 Q370 A371 K372 V373 V375 | P333-L368 HydrophobicContact CB-CD2 4Å; P333-L368 HydrophobicContact CG-CD2 4.34Å; Y336-L368 HydrophobicContact CD1-CD2 4.08Å; Y336-L368 HydrophobicContact CD2-CD1 4.16Å; Y336-L368 HydrophobicContact CD2-CD2 3.86Å; Y336-L368 HydrophobicContact CE2-CD1 4.09Å; Y336-L368 HydrophobicContact CE2-CD2 4.45Å; Y336-L368 HydrophobicContact CG-CD2 3.66Å; L355-L368 HydrophobicContact CD2-CD1 3.88Å; F364-L368 HydrophobicContact CD1-CD1 4.04Å; F364-L368 HydrophobicContact CD1-CG 4.08Å; F364-L368 HydrophobicContact CE1-CD1 3.88Å; F364-L368 HydrophobicContact CE1-CD2 3.76Å; F364-L368 HydrophobicContact CE1-CG 3.78Å; F364-L368 HydrophobicContact CZ-CD2 3.96Å; F364-L368 HydrophobicContact CZ-CG 4.28Å; F364-L368 PolarHBondContact O-N 3.42Å; F364-L368 VanDerWaalsContact O-N 3.13Å; L365-L368 HydrophobicContact CD2-CD1 4.23Å; L365-L368 PolarHBondContact O-N 3.33Å; L368-Q370 PolarHBondContact O-N 2.88Å; L368-A371 CarbonylContact O-C 3.59Å; L368-A371 PolarHBondContact O-N 3.45Å; L368-A371 VanDerWaalsContact O-N 3.13Å; L368-K372 PolarHBondContact O-N 2.94Å; L368-V373 CarbonylContact C-O 3.48Å; L368-V373 HydrophobicContact CB-CB 4.19Å; L368-V373 HydrophobicContact CD2-CB 4.48Å; L368-V373 HydrophobicContact CD2-CG1 4.46Å; L368-V373 WeakPolarHBondContact O-CA 3.29Å; L368-V373 WeakPolarHBondContact O-CB 3.34Å; L368-V373 PolarHBondContact O-N 2.87Å; L368-V375 HydrophobicContact CD1-CG1 4.32Å; L368-V375 HydrophobicContact CD1-CG2 4.23Å |
| 369 | K | 89 | Confident | 90.7 | Very high | 168 Ų | 168 | 73.5 Ų | 73.5 | 73% | 0.73 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 176.9 | -172.8 | 176.8 | -179.9 | 178.3 | 0 | 112 | L365 F366 Y367 A371 K372 | L365-K369 WeakPolarHBondContact O-CB 3.46Å; L365-K369 PolarHBondContact O-N 2.86Å; F366-K369 PolarHBondContact O-N 3.42Å; Y367-K369 VanDerWaalsContact C-N 3.35Å; K369-A371 VanDerWaalsContact C-N 3.28Å; K369-A371 PolarHBondContact O-N 3.05Å; K369-K372 PolarHBondContact O-N 3.42Å |
| 370 | Q | 85.8 | Confident | 90.5 | Very high | 125 Ų | 125 | 71.9 Ų | 71.9 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.3 | -35.6 | 174.9 | -74.3 | -171.9 | -23.2 | 0 | 0 | 112.6 | F366 Y367 L368 K372 | F366-Q370 VanDerWaalsContact CE1-CD 3.48Å; F366-Q370 HydrophobicContact CE1-CG 4.2Å; F366-Q370 HydrophobicContact CZ-CG 4.32Å; F366-Q370 WeakPolarHBondContact O-CG 3.36Å; F366-Q370 PolarHBondContact O-N 2.82Å; Y367-Q370 PolarHBondContact O-N 2.77Å; L368-Q370 PolarHBondContact O-N 2.88Å; Q370-K372 PolarHBondContact O-N 3.25Å |
| 371 | A | 83.5 | Confident | 90.4 | Very high | 30 Ų | 30 | 70.9 Ų | 70.9 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 12.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A222 P333 Y367 L368 K369 V373 | A222-A371 VanDerWaalsContact CB-O 3.31Å; A222-A371 WeakPolarHBondContact CB-O 3.31Å; P333-A371 HydrophobicContact CB-CB 3.51Å; P333-A371 HydrophobicContact CG-CB 4.24Å; Y367-A371 WeakPolarHBondContact O-CB 3.27Å; Y367-A371 PolarHBondContact O-N 2.85Å; L368-A371 CarbonylContact O-C 3.59Å; L368-A371 PolarHBondContact O-N 3.45Å; L368-A371 VanDerWaalsContact O-N 3.13Å; K369-A371 VanDerWaalsContact C-N 3.28Å; K369-A371 PolarHBondContact O-N 3.05Å; A371-V373 VanDerWaalsContact C-N 3.27Å; A371-V373 HydrophobicContact CB-CG2 4.27Å; A371-V373 PolarHBondContact O-N 3.29Å |
| 372 | K | 84.1 | Confident | 90.2 | Very high | 114 Ų | 114 | 75.1 Ų | 75.1 | 50% | 0.496 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 38.1 | -176.4 | -55.3 | -179.6 | 178.9 | -179.8 | 0 | 113 | Q221 A222 L368 K369 Q370 P374 | Q221-K372 WeakPolarHBondContact CA-O 3.43Å; A222-K372 PolarHBondContact N-O 3.29Å; L368-K372 PolarHBondContact O-N 2.94Å; K369-K372 PolarHBondContact O-N 3.42Å; Q370-K372 PolarHBondContact O-N 3.25Å; K372-P374 VanDerWaalsContact O-CD 3.32Å; K372-P374 WeakPolarHBondContact O-CD 3.33Å |
| 373 | V | 85.6 | Confident | 90 | Very high | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.012 | 39% | 0.394 | C | S | . | . | trans | -111.8 | 89.2 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | A222 T223 Y336 I337 L368 A371 V375 | A222-V373 HydrophobicContact CB-CG2 4.17Å; T223-V373 HydrophobicContact CG2-CG1 4.34Å; T223-V373 HydrophobicContact CG2-CG2 4.49Å; Y336-V373 HydrophobicContact CD1-CG1 3.76Å; Y336-V373 HydrophobicContact CE1-CG1 3.33Å; I337-V373 HydrophobicContact CD1-CG2 3.85Å; I337-V373 HydrophobicContact CG1-CG2 3.67Å; L368-V373 CarbonylContact C-O 3.48Å; L368-V373 HydrophobicContact CB-CB 4.19Å; L368-V373 HydrophobicContact CD2-CB 4.48Å; L368-V373 HydrophobicContact CD2-CG1 4.46Å; L368-V373 WeakPolarHBondContact O-CA 3.29Å; L368-V373 WeakPolarHBondContact O-CB 3.34Å; L368-V373 PolarHBondContact O-N 2.87Å; A371-V373 VanDerWaalsContact C-N 3.27Å; A371-V373 HydrophobicContact CB-CG2 4.27Å; A371-V373 PolarHBondContact O-N 3.29Å; V373-V375 HydrophobicContact CG1-CG1 4.19Å | ||
| 374 | P | 81.2 | Confident | 89.9 | Confident | 66 Ų | 66 | 76.3 Ų | 76.3 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | trans | -72.9 | 131 | 173.4 | 29.7 | -31.6 | 0 | 0 | 0 | 109.8 | Q221 K372 | Q221-P374 HydrophobicContact CG-CG 4.09Å; K372-P374 VanDerWaalsContact O-CD 3.32Å; K372-P374 WeakPolarHBondContact O-CD 3.33Å | ||
| 375 | V | 91.1 | Very high | 89.9 | Confident | 29 Ų | 29 | 77.1 Ų | 77.1 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | trans | -127.4 | 140.4 | 173.1 | -64.6 | 0 | 0 | 0 | 0 | 109.1 | Q229 Y231 Y336 L365 L368 V373 | Q229-V375 HydrophobicContact CB-CG1 4.03Å; Y231-V375 HydrophobicContact CD1-CB 4.31Å; Y231-V375 HydrophobicContact CD1-CG2 3.81Å; Y231-V375 HydrophobicContact CE1-CG2 4.38Å; Y336-V375 WeakPolarHBondContact OH-CG1 3.45Å; L365-V375 HydrophobicContact CD2-CG2 3.57Å; L368-V375 HydrophobicContact CD1-CG1 4.32Å; L368-V375 HydrophobicContact CD1-CG2 4.23Å; V373-V375 HydrophobicContact CG1-CG1 4.19Å | ||
| 376 | V | 93.1 | Very high | 89.8 | Confident | 99 Ų | 99 | 77.3 Ų | 77.3 | 60% | 0.6 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143 | 179.7 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | Q229 G230 Y231 Y378 | Q229-V376 PolarHBondContact O-N 3.02Å; Q229-V376 VanDerWaalsContact O-N 3.14Å; G230-V376 CarbonylContact C-O 3.53Å; G230-V376 WeakPolarHBondContact CA-O 3.43Å; Y231-V376 PolarHBondContact N-O 3.3Å; V376-Y378 PolarHBondContact O-N 2.88Å |
| 377 | E | 96 | Very high | 89.9 | Confident | 110 Ų | 110 | 77.9 Ų | 77.9 | 51% | 0.514 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 125.3 | 171.5 | -163.6 | 162.1 | 167.1 | 0 | 0 | 109.8 | Y231 | Y231-E377 HydrophobicContact CD1-CB 4.43Å; Y231-E377 HydrophobicContact CD2-CG 4.36Å; Y231-E377 HydrophobicContact CE1-CB 3.71Å; Y231-E377 HydrophobicContact CE1-CG 4.27Å; Y231-E377 HydrophobicContact CE2-CB 4.06Å; Y231-E377 HydrophobicContact CE2-CG 3.68Å; Y231-E377 VanDerWaalsContact CZ-CB 3.49Å; Y231-E377 WeakPolarHBondContact OH-CB 3.22Å; Y231-E377 PolarHBondContact OH-OE2 3.4Å |
| 378 | Y | 93.1 | Very high | 90 | Very high | 59 Ų | 59 | 75.8 Ų | 75.8 | 23% | 0.231 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 128.8 | 173.3 | -68.5 | -30.7 | 0 | 0 | 0 | 110.2 | S228 G230 Y231 W323 L354 V376 L380 | S228-Y378 PolarHBondContact OG-OH 3.01Å; G230-Y378 PolarHBondContact N-OH 3.3Å; Y231-Y378 PolarHBondContact O-N 3.05Å; W323-Y378 HydrophobicContact CZ3-CE2 4.44Å; L354-Y378 HydrophobicContact CD1-CD2 3.95Å; L354-Y378 HydrophobicContact CD1-CE2 4.41Å; V376-Y378 PolarHBondContact O-N 2.88Å; Y378-L380 PolarHBondContact O-N 2.63Å |
| 379 | D | 86.8 | Confident | 90.2 | Very high | 156 Ų | 156 | 77.3 Ų | 77.3 | 83% | 0.834 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 119 | 174 | -174.8 | 15.3 | 0 | 0 | 0 | 110.4 | ||
| 380 | L | 88 | Confident | 90.6 | Very high | 42 Ų | 42 | 76.9 Ų | 76.9 | 22% | 0.22 | 42% | 0.416 | C | S | . | . | trans | -114.4 | 109 | 178.7 | 179.5 | 69.9 | 0 | 0 | 0 | 110 | I232 L242 Y378 W382 V385 | I232-L380 HydrophobicContact CD1-CB 4.32Å; I232-L380 HydrophobicContact CD1-CD1 4.42Å; I232-L380 HydrophobicContact CD1-CD2 4.5Å; I232-L380 HydrophobicContact CG2-CB 4.3Å; I232-L380 HydrophobicContact CG2-CD2 3.75Å; L242-L380 HydrophobicContact CD1-CD1 3.91Å; L242-L380 HydrophobicContact CD1-CD2 3.69Å; L242-L380 HydrophobicContact CD1-CG 4.48Å; L242-L380 HydrophobicContact CD2-CD2 4.47Å; Y378-L380 PolarHBondContact O-N 2.63Å; L380-W382 HydrophobicContact CD2-CD2 4.13Å; L380-W382 HydrophobicContact CD2-CE3 4.24Å; L380-W382 HydrophobicContact CD2-CH2 4.1Å; L380-W382 HydrophobicContact CD2-CZ2 3.94Å; L380-W382 HydrophobicContact CD2-CZ3 4.23Å; L380-W382 PolarHBondContact O-N 2.61Å; L380-W382 VanDerWaalsContact O-N 3.11Å; L380-V385 HydrophobicContact CD1-CG2 3.89Å; L380-V385 HydrophobicContact CD2-CG2 4.13Å; L380-V385 HydrophobicContact CG-CG2 4.21Å | ||
| 381 | S | 90.7 | Very high | 91.1 | Very high | 58 Ų | 58 | 75.3 Ų | 75.3 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | trans | -74.6 | 101.3 | 167.8 | -40.4 | 0 | 0 | 0 | 0 | 110.2 | G383 K384 | S381-G383 PolarHBondContact O-N 2.84Å; S381-G383 VanDerWaalsContact O-N 3.1Å; S381-K384 WeakPolarHBondContact O-CB 3.48Å; S381-K384 PolarHBondContact O-N 2.85Å | ||
| 382 | W | 90.6 | Very high | 91.7 | Very high | 90 Ų | 90 | 74.2 Ų | 74.2 | 34% | 0.341 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -54.5 | -29.1 | 178.8 | -74.8 | 102.4 | 0 | 0 | 0 | 114.1 | C234 K238 L380 K384 V385 | C234-W382 HydrophobicContact CB-CH2 4.44Å; K238-W382 HydrophobicContact CB-CH2 3.88Å; K238-W382 HydrophobicContact CB-CZ3 3.68Å; K238-W382 HydrophobicContact CD-CE3 3.91Å; K238-W382 HydrophobicContact CD-CH2 4.03Å; K238-W382 HydrophobicContact CD-CZ3 3.56Å; K238-W382 HydrophobicContact CG-CZ3 4.26Å; L380-W382 HydrophobicContact CD2-CD2 4.13Å; L380-W382 HydrophobicContact CD2-CE3 4.24Å; L380-W382 HydrophobicContact CD2-CH2 4.1Å; L380-W382 HydrophobicContact CD2-CZ2 3.94Å; L380-W382 HydrophobicContact CD2-CZ3 4.23Å; L380-W382 PolarHBondContact O-N 2.61Å; L380-W382 VanDerWaalsContact O-N 3.11Å; W382-K384 PolarHBondContact O-N 3.24Å; W382-K384 VanDerWaalsContact O-N 3.16Å; W382-V385 HydrophobicContact CE3-CB 4.22Å; W382-V385 HydrophobicContact CE3-CG1 4.43Å; W382-V385 HydrophobicContact CE3-CG2 3.98Å; W382-V385 HydrophobicContact CZ3-CG1 4.46Å; W382-V385 HydrophobicContact CZ3-CG2 4.43Å; W382-V385 WeakPolarHBondContact O-CB 3.23Å; W382-V385 PolarHBondContact O-N 2.95Å |
| 383 | G | 91.6 | Very high | 92.3 | Very high | 84 Ų | 84 | 70 Ų | 70 | 87% | 0.866 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -64.1 | -14.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S381 | S381-G383 PolarHBondContact O-N 2.84Å; S381-G383 VanDerWaalsContact O-N 3.1Å |
| 384 | K | 91.5 | Very high | 92.9 | Very high | 149 Ų | 149 | 76.2 Ų | 76.2 | 65% | 0.648 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -97 | -1.9 | 173.8 | -63.8 | 179.5 | -179 | 168.1 | 0 | 113.1 | T245 K249 S381 W382 | T245-K384 WeakPolarHBondContact CG2-O 3.33Å; K249-K384 PolarHBondContact NZ-O 3.32Å; S381-K384 WeakPolarHBondContact O-CB 3.48Å; S381-K384 PolarHBondContact O-N 2.85Å; W382-K384 PolarHBondContact O-N 3.24Å; W382-K384 VanDerWaalsContact O-N 3.16Å |
| 385 | V | 94.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 74.4 Ų | 74.4 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -88.9 | 125.3 | 174.4 | -179 | 0 | 0 | 0 | 0 | 107.4 | H241 L380 W382 D387 | H241-V385 HydrophobicContact CB-CG1 3.69Å; L380-V385 HydrophobicContact CD1-CG2 3.89Å; L380-V385 HydrophobicContact CD2-CG2 4.13Å; L380-V385 HydrophobicContact CG-CG2 4.21Å; W382-V385 HydrophobicContact CE3-CB 4.22Å; W382-V385 HydrophobicContact CE3-CG1 4.43Å; W382-V385 HydrophobicContact CE3-CG2 3.98Å; W382-V385 HydrophobicContact CZ3-CG1 4.46Å; W382-V385 HydrophobicContact CZ3-CG2 4.43Å; W382-V385 WeakPolarHBondContact O-CB 3.23Å; W382-V385 PolarHBondContact O-N 2.95Å; V385-D387 PolarHBondContact O-N 2.99Å |
| 386 | A | 93.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 73 Ų | 73 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | trans | -64 | 127 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y244 T245 I388 | Y244-A386 HydrophobicContact CD1-CB 4.08Å; Y244-A386 HydrophobicContact CE1-CB 3.91Å; T245-A386 PolarHBondContact OG1-N 3.24Å; A386-I388 HydrophobicContact CB-CG2 3.91Å; A386-I388 PolarHBondContact O-N 2.91Å | ||
| 387 | D | 93.8 | Very high | 94.1 | Very high | 135 Ų | 135 | 72.3 Ų | 72.3 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | trans | -81.6 | 111.1 | 169.8 | -165.8 | -2.4 | 0 | 0 | 0 | 109 | H241 V385 | H241-D387 IonicContact CE1-OD1 3.76Å; H241-D387 PolarHBondContact CE1-OD1 3.41Å; H241-D387 IonicContact ND1-OD1 2.69Å; V385-D387 PolarHBondContact O-N 2.99Å | ||
| 388 | I | 94.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 73.7 Ų | 73.7 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | trans | -132.2 | 14.2 | -172.1 | 60.8 | 170.7 | 0 | 0 | 0 | 112.1 | F240 H241 Y244 A386 E390 N391 L392 | F240-I388 HydrophobicContact CD1-CD1 3.72Å; F240-I388 HydrophobicContact CE1-CD1 3.51Å; H241-I388 VanDerWaalsContact CD2-CG1 3.47Å; H241-I388 WeakPolarHBondContact CD2-CG1 3.36Å; Y244-I388 HydrophobicContact CD1-CD1 3.6Å; Y244-I388 HydrophobicContact CD1-CG2 4.31Å; Y244-I388 HydrophobicContact CD2-CD1 4.17Å; Y244-I388 HydrophobicContact CE1-CD1 4.25Å; Y244-I388 HydrophobicContact CE1-CG2 4.05Å; Y244-I388 HydrophobicContact CG-CD1 3.55Å; A386-I388 HydrophobicContact CB-CG2 3.91Å; A386-I388 PolarHBondContact O-N 2.91Å; I388-E390 PolarHBondContact O-N 3.15Å; I388-N391 PolarHBondContact O-N 3.3Å; I388-L392 WeakPolarHBondContact O-CB 3.49Å; I388-L392 PolarHBondContact O-N 3.15Å | ||
| 389 | Q | 96.6 | Very high | 94.3 | Very high | 32 Ų | 32 | 72.3 Ų | 72.3 | 15% | 0.15 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61 | -51.1 | -172.1 | -172.2 | 61.9 | 43.6 | 0 | 0 | 111.2 | H241 N391 L392 E393 K438 | H241-Q389 PolarHBondContact CE1-N 2.88Å; H241-Q389 WeakPolarHBondContact NE2-CA 3.38Å; H241-Q389 PolarHBondContact NE2-N 2.97Å; H241-Q389 PolarHBondContact NE2-OE1 2.91Å; Q389-N391 VanDerWaalsContact C-N 3.33Å; Q389-N391 PolarHBondContact O-N 2.8Å; Q389-L392 WeakPolarHBondContact O-CB 3.28Å; Q389-L392 PolarHBondContact O-N 3.49Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.43Å; Q389-E393 PolarHBondContact NE2-OE1 3.33Å; Q389-E393 WeakPolarHBondContact O-CG 3.33Å; Q389-E393 PolarHBondContact O-N 2.78Å; Q389-K438 PolarHBondContact NE2-O 2.96Å |
| 390 | E | 96.2 | Very high | 94.7 | Very high | 159 Ų | 159 | 71.8 Ų | 71.8 | 74% | 0.743 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.2 | -40.8 | -179.8 | -64.4 | -176.3 | 176.6 | 0 | 0 | 112 | I388 R394 | I388-E390 PolarHBondContact O-N 3.15Å; E390-R394 WeakPolarHBondContact O-CB 3.1Å; E390-R394 PolarHBondContact O-N 3.24Å |
| 391 | N | 95.9 | Very high | 95.2 | Very high | 92 Ų | 92 | 78.7 Ų | 78.7 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.4 | -69.1 | 72.7 | 0 | 0 | 0 | 111.7 | I388 Q389 L395 | I388-N391 PolarHBondContact O-N 3.3Å; Q389-N391 VanDerWaalsContact C-N 3.33Å; Q389-N391 PolarHBondContact O-N 2.8Å; N391-L395 VanDerWaalsContact O-CB 3.25Å; N391-L395 WeakPolarHBondContact O-CB 3.25Å; N391-L395 PolarHBondContact O-N 3.09Å |
| 392 | L | 97 | Very high | 95.5 | Very high | 7 Ų | 7 | 76.2 Ų | 76.2 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.4 | -51.9 | 177 | 178.8 | 65.6 | 0 | 0 | 0 | 110.5 | F240 L271 I388 Q389 R394 L395 I396 | F240-L392 HydrophobicContact CB-CD2 4.5Å; F240-L392 HydrophobicContact CD1-CD1 4.2Å; F240-L392 HydrophobicContact CD1-CD2 3.64Å; F240-L392 HydrophobicContact CD1-CG 4.43Å; F240-L392 HydrophobicContact CE1-CD1 3.87Å; F240-L392 HydrophobicContact CE1-CD2 4.16Å; F240-L392 HydrophobicContact CE1-CG 4.49Å; F240-L392 HydrophobicContact CG-CD2 4.19Å; F240-L392 HydrophobicContact CZ-CD1 4.39Å; L271-L392 HydrophobicContact CD1-CD1 4.28Å; L271-L392 HydrophobicContact CD2-CD1 3.76Å; I388-L392 WeakPolarHBondContact O-CB 3.49Å; I388-L392 PolarHBondContact O-N 3.15Å; Q389-L392 WeakPolarHBondContact O-CB 3.28Å; Q389-L392 PolarHBondContact O-N 3.49Å; L392-R394 VanDerWaalsContact C-N 3.35Å; L392-R394 PolarHBondContact O-N 3.14Å; L392-L395 WeakPolarHBondContact O-CB 3.41Å; L392-L395 PolarHBondContact O-N 3.1Å; L392-L395 VanDerWaalsContact O-N 3.14Å; L392-I396 HydrophobicContact CD1-CD1 4.44Å; L392-I396 HydrophobicContact CD1-CG1 3.97Å; L392-I396 HydrophobicContact CG-CG1 4.36Å; L392-I396 VanDerWaalsContact O-CG1 3.31Å; L392-I396 WeakPolarHBondContact O-CG1 3.32Å; L392-I396 PolarHBondContact O-N 3.23Å |
| 393 | E | 97.5 | Very high | 95.8 | Very high | 25 Ų | 25 | 75.4 Ų | 75.4 | 12% | 0.117 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | -179.7 | -70.7 | 175.2 | -178.5 | 0 | 0 | 112.4 | Q389 L395 I396 S397 G441 Q443 | Q389-E393 WeakPolarHBondContact CG-OE1 3.43Å; Q389-E393 PolarHBondContact NE2-OE1 3.33Å; Q389-E393 WeakPolarHBondContact O-CG 3.33Å; Q389-E393 PolarHBondContact O-N 2.78Å; E393-L395 VanDerWaalsContact C-N 3.34Å; E393-L395 PolarHBondContact O-N 2.86Å; E393-I396 PolarHBondContact O-N 2.92Å; E393-S397 WeakPolarHBondContact O-CB 2.88Å; E393-S397 PolarHBondContact O-N 3.04Å; E393-S397 PolarHBondContact O-OG 2.85Å; E393-G441 WeakPolarHBondContact CA-O 3.32Å; E393-Q443 HydrophobicContact CB-CG 4.46Å; E393-Q443 HydrophobicContact CG-CG 4.18Å; E393-Q443 WeakPolarHBondContact OE2-CG 3.37Å; E393-Q443 PolarHBondContact OE2-NE2 3.49Å |
| 394 | R | 97.5 | Very high | 96.1 | Very high | 133 Ų | 133 | 79.6 Ų | 79.6 | 50% | 0.502 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.4 | -176.8 | 170.3 | 57.6 | 97.3 | -3.2 | 111.7 | E390 L392 S397 Q398 | E390-R394 WeakPolarHBondContact O-CB 3.1Å; E390-R394 PolarHBondContact O-N 3.24Å; L392-R394 VanDerWaalsContact C-N 3.35Å; L392-R394 PolarHBondContact O-N 3.14Å; R394-S397 WeakPolarHBondContact CA-OG 3.48Å; R394-S397 PolarHBondContact O-OG 2.7Å; R394-Q398 HydrophobicContact CG-CG 4.44Å; R394-Q398 VanDerWaalsContact O-CB 3.31Å; R394-Q398 WeakPolarHBondContact O-CB 3.49Å; R394-Q398 WeakPolarHBondContact O-CG 3.42Å; R394-Q398 PolarHBondContact O-N 3.26Å |
| 395 | L | 96.7 | Very high | 96.4 | Very high | 28 Ų | 28 | 73 Ų | 73 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 177.5 | 174.3 | 58.9 | 0 | 0 | 0 | 111.8 | L271 Y274 I275 N391 L392 E393 S397 Q398 N399 L402 | L271-L395 HydrophobicContact CD1-CD2 3.59Å; Y274-L395 HydrophobicContact CD1-CD1 3.77Å; Y274-L395 HydrophobicContact CD1-CD2 3.9Å; Y274-L395 HydrophobicContact CD1-CG 4.47Å; Y274-L395 HydrophobicContact CE1-CD1 3.25Å; Y274-L395 HydrophobicContact CE1-CD2 4.18Å; Y274-L395 HydrophobicContact CE1-CG 4.35Å; I275-L395 HydrophobicContact CG2-CD2 3.86Å; N391-L395 VanDerWaalsContact O-CB 3.25Å; N391-L395 WeakPolarHBondContact O-CB 3.25Å; N391-L395 PolarHBondContact O-N 3.09Å; L392-L395 WeakPolarHBondContact O-CB 3.41Å; L392-L395 PolarHBondContact O-N 3.1Å; L392-L395 VanDerWaalsContact O-N 3.14Å; E393-L395 VanDerWaalsContact C-N 3.34Å; E393-L395 PolarHBondContact O-N 2.86Å; L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 2.94Å; L395-Q398 PolarHBondContact O-N 2.83Å; L395-N399 HydrophobicContact CD1-CB 4.22Å; L395-N399 WeakPolarHBondContact O-CB 3.18Å; L395-N399 PolarHBondContact O-N 3.5Å; L395-L402 HydrophobicContact CD1-CD1 3.95Å; L395-L402 HydrophobicContact CD2-CD1 4.08Å; L395-L402 HydrophobicContact CG-CD1 3.94Å |
| 396 | I | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.4 | -29.6 | -178.4 | -63.1 | -51.7 | 0 | 0 | 0 | 111.8 | Y267 L271 L392 E393 L402 H403 A406 F442 | Y267-I396 HydrophobicContact CE2-CD1 3.81Å; L271-I396 HydrophobicContact CD1-CD1 4.47Å; L392-I396 HydrophobicContact CD1-CD1 4.44Å; L392-I396 HydrophobicContact CD1-CG1 3.97Å; L392-I396 HydrophobicContact CG-CG1 4.36Å; L392-I396 VanDerWaalsContact O-CG1 3.31Å; L392-I396 WeakPolarHBondContact O-CG1 3.32Å; L392-I396 PolarHBondContact O-N 3.23Å; E393-I396 PolarHBondContact O-N 2.92Å; I396-L402 HydrophobicContact CD1-CB 3.87Å; I396-H403 WeakPolarHBondContact O-CB 3.44Å; I396-H403 PolarHBondContact O-ND1 3.43Å; I396-A406 HydrophobicContact CD1-CB 4.4Å; I396-A406 HydrophobicContact CG2-CB 3.97Å; I396-F442 HydrophobicContact CG2-CD1 4.42Å; I396-F442 HydrophobicContact CG2-CE1 4.06Å; I396-F442 HydrophobicContact CG2-CZ 4.26Å |
| 397 | S | 96.7 | Very high | 96.8 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 58% | 0.58 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -75.7 | -35.8 | 173.5 | 55 | 0 | 0 | 0 | 0 | 113.3 | E393 R394 L395 | E393-S397 WeakPolarHBondContact O-CB 2.88Å; E393-S397 PolarHBondContact O-N 3.04Å; E393-S397 PolarHBondContact O-OG 2.85Å; R394-S397 WeakPolarHBondContact CA-OG 3.48Å; R394-S397 PolarHBondContact O-OG 2.7Å; L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 2.94Å |
| 398 | Q | 96.5 | Very high | 96.9 | Very high | 140 Ų | 140 | 72.2 Ų | 72.2 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -86.2 | -29.8 | -176 | -68.8 | 177.4 | -12.3 | 0 | 0 | 113.8 | R394 L395 | R394-Q398 HydrophobicContact CG-CG 4.44Å; R394-Q398 VanDerWaalsContact O-CB 3.31Å; R394-Q398 WeakPolarHBondContact O-CB 3.49Å; R394-Q398 WeakPolarHBondContact O-CG 3.42Å; R394-Q398 PolarHBondContact O-N 3.26Å; L395-Q398 PolarHBondContact O-N 2.83Å |
| 399 | N | 97.2 | Very high | 97.1 | Very high | 30 Ų | 30 | 71.1 Ų | 71.1 | 16% | 0.16 | 33% | 0.325 | C | S | . | . | trans | -97.4 | 104.3 | -178 | -173.4 | -47.1 | 0 | 0 | 0 | 111.5 | Y274 L395 Y401 L402 H403 | Y274-N399 WeakPolarHBondContact CE2-ND2 3.36Å; L395-N399 HydrophobicContact CD1-CB 4.22Å; L395-N399 WeakPolarHBondContact O-CB 3.18Å; L395-N399 PolarHBondContact O-N 3.5Å; N399-Y401 VanDerWaalsContact C-N 3.31Å; N399-Y401 PolarHBondContact O-N 3.14Å; N399-Y401 PolarHBondContact OD1-N 3.05Å; N399-Y401 VanDerWaalsContact OD1-N 3.1Å; N399-L402 HydrophobicContact CB-CB 4.08Å; N399-L402 HydrophobicContact CB-CD1 4.09Å; N399-L402 HydrophobicContact CB-CG 4.31Å; N399-L402 PolarHBondContact O-N 3.44Å; N399-L402 PolarHBondContact OD1-N 2.97Å; N399-H403 WeakPolarHBondContact O-CB 3.47Å; N399-H403 PolarHBondContact O-N 3.29Å | ||
| 400 | F | 95.8 | Very high | 97.1 | Very high | 144 Ų | 144 | 69.6 Ų | 69.6 | 63% | 0.632 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -52.8 | -42.3 | -178.7 | 177.2 | -99.8 | 0 | 0 | 0 | 114.3 | R404 | F400-R404 PolarHBondContact O-N 3.44Å; F400-R404 VanDerWaalsContact O-N 3.09Å |
| 401 | Y | 96.5 | Very high | 97.1 | Very high | 187 Ų | 187 | 64 Ų | 64 | 73% | 0.733 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70.5 | -45.1 | -177.5 | -65.9 | -75.8 | 0 | 0 | 0 | 111.6 | N399 R404 S405 | N399-Y401 VanDerWaalsContact C-N 3.31Å; N399-Y401 PolarHBondContact O-N 3.14Å; N399-Y401 PolarHBondContact OD1-N 3.05Å; N399-Y401 VanDerWaalsContact OD1-N 3.1Å; Y401-R404 PolarHBondContact O-N 3.15Å; Y401-S405 WeakPolarHBondContact O-CB 3.45Å; Y401-S405 PolarHBondContact O-N 2.96Å |
| 402 | L | 97.4 | Very high | 97 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 175.5 | -70.4 | 176.8 | 0 | 0 | 0 | 111.3 | E270 L271 Y274 L395 I396 N399 R404 S405 A406 | E270-L402 HydrophobicContact CB-CD2 3.91Å; L271-L402 HydrophobicContact CB-CD2 4.41Å; L271-L402 HydrophobicContact CD1-CD1 4.36Å; Y274-L402 HydrophobicContact CD1-CD1 4.09Å; Y274-L402 HydrophobicContact CD2-CD1 4.11Å; Y274-L402 HydrophobicContact CG-CD1 3.84Å; L395-L402 HydrophobicContact CD1-CD1 3.95Å; L395-L402 HydrophobicContact CD2-CD1 4.08Å; L395-L402 HydrophobicContact CG-CD1 3.94Å; I396-L402 HydrophobicContact CD1-CB 3.87Å; N399-L402 HydrophobicContact CB-CB 4.08Å; N399-L402 HydrophobicContact CB-CD1 4.09Å; N399-L402 HydrophobicContact CB-CG 4.31Å; N399-L402 PolarHBondContact O-N 3.44Å; N399-L402 PolarHBondContact OD1-N 2.97Å; L402-R404 PolarHBondContact O-N 3.1Å; L402-S405 PolarHBondContact O-N 3.36Å; L402-A406 VanDerWaalsContact O-CB 3.26Å; L402-A406 WeakPolarHBondContact O-CB 3.37Å; L402-A406 PolarHBondContact O-N 3.47Å |
| 403 | H | 98.1 | Very high | 97 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 33% | 0.333 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.3 | -51 | 174.6 | -168.6 | 93.1 | 0 | 0 | 0 | 112.1 | I396 N399 S405 A406 K407 F442 | I396-H403 WeakPolarHBondContact O-CB 3.44Å; I396-H403 PolarHBondContact O-ND1 3.43Å; N399-H403 WeakPolarHBondContact O-CB 3.47Å; N399-H403 PolarHBondContact O-N 3.29Å; H403-S405 VanDerWaalsContact C-N 3.33Å; H403-S405 PolarHBondContact O-N 3.27Å; H403-A406 PolarHBondContact O-N 2.82Å; H403-K407 WeakPolarHBondContact O-CB 3.39Å; H403-K407 PolarHBondContact O-N 3.03Å; H403-F442 AromaticContact CE1-CE1 3.54Å; H403-F442 AromaticContact ND1-CE1 3.88Å; H403-F442 AromaticContact NE2-CE1 3.81Å |
| 404 | R | 97.6 | Very high | 96.8 | Very high | 172 Ų | 172 | 59.2 Ų | 59.2 | 65% | 0.649 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 179 | -175.7 | 177.9 | 177.7 | 177.7 | 1.5 | 111.4 | F400 Y401 L402 K407 E408 | F400-R404 PolarHBondContact O-N 3.44Å; F400-R404 VanDerWaalsContact O-N 3.09Å; Y401-R404 PolarHBondContact O-N 3.15Å; L402-R404 PolarHBondContact O-N 3.1Å; R404-K407 PolarHBondContact O-N 2.98Å; R404-E408 PolarHBondContact O-N 3.33Å |
| 405 | S | 97.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 59 Ų | 59 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 178.6 | -158 | 0 | 0 | 0 | 0 | 111.9 | Y267 E270 Y401 L402 H403 K407 E408 A409 | Y267-S405 WeakPolarHBondContact CA-OG 3.31Å; E270-S405 WeakPolarHBondContact OE2-CB 3.42Å; E270-S405 PolarHBondContact OE2-OG 3.28Å; Y401-S405 WeakPolarHBondContact O-CB 3.45Å; Y401-S405 PolarHBondContact O-N 2.96Å; L402-S405 PolarHBondContact O-N 3.36Å; H403-S405 VanDerWaalsContact C-N 3.33Å; H403-S405 PolarHBondContact O-N 3.27Å; S405-K407 VanDerWaalsContact C-N 3.33Å; S405-K407 PolarHBondContact O-N 2.93Å; S405-E408 PolarHBondContact O-N 3.49Å; S405-A409 WeakPolarHBondContact O-CB 3.4Å; S405-A409 PolarHBondContact O-N 3.29Å |
| 406 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y267 I396 L402 H403 E408 A409 F410 F442 | Y267-A406 HydrophobicContact CD2-CB 3.83Å; Y267-A406 HydrophobicContact CE2-CB 3.44Å; Y267-A406 VanDerWaalsContact CE2-CB 3.44Å; I396-A406 HydrophobicContact CD1-CB 4.4Å; I396-A406 HydrophobicContact CG2-CB 3.97Å; L402-A406 VanDerWaalsContact O-CB 3.26Å; L402-A406 WeakPolarHBondContact O-CB 3.37Å; L402-A406 PolarHBondContact O-N 3.47Å; H403-A406 PolarHBondContact O-N 2.82Å; A406-E408 PolarHBondContact O-N 2.99Å; A406-A409 PolarHBondContact O-N 2.87Å; A406-F410 WeakPolarHBondContact O-CB 3.38Å; A406-F410 PolarHBondContact O-N 3.03Å; A406-F442 HydrophobicContact CB-CE2 3.66Å; A406-F442 HydrophobicContact CB-CZ 3.62Å |
| 407 | K | 97.6 | Very high | 96.2 | Very high | 81 Ų | 81 | 59 Ų | 59 | 35% | 0.352 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 179.2 | -178.3 | 169.8 | -177 | 172.5 | 0 | 111.9 | H403 R404 S405 K411 F442 P446 | H403-K407 WeakPolarHBondContact O-CB 3.39Å; H403-K407 PolarHBondContact O-N 3.03Å; R404-K407 PolarHBondContact O-N 2.98Å; S405-K407 VanDerWaalsContact C-N 3.33Å; S405-K407 PolarHBondContact O-N 2.93Å; K407-K411 WeakPolarHBondContact O-CG 3.31Å; K407-K411 PolarHBondContact O-N 3.19Å; K407-K411 VanDerWaalsContact O-N 3.15Å; K407-F442 HydrophobicContact CB-CZ 3.9Å; K407-P446 HydrophobicContact CD-CB 4.34Å; K407-P446 HydrophobicContact CG-CB 3.94Å; K407-P446 HydrophobicContact CG-CG 4.29Å |
| 408 | E | 97 | Very high | 96 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.9 | -34.1 | 177.8 | -66.1 | -58.3 | 121.3 | 0 | 0 | 112.1 | A263 R404 S405 A406 K411 G412 | A263-E408 HydrophobicContact CB-CB 4.45Å; A263-E408 WeakPolarHBondContact CB-O 3.5Å; R404-E408 PolarHBondContact O-N 3.33Å; S405-E408 PolarHBondContact O-N 3.49Å; A406-E408 PolarHBondContact O-N 2.99Å; E408-K411 IonicContact OE1-NZ 3.7Å; E408-K411 PolarHBondContact OE1-NZ 3.45Å; E408-G412 PolarHBondContact O-N 2.81Å |
| 409 | A | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S264 Y267 S405 A406 G412 Y413 F440 | S264-A409 PolarHBondContact OG-O 3.44Å; Y267-A409 VanDerWaalsContact CB-CB 3.4Å; Y267-A409 HydrophobicContact CD1-CB 3.78Å; Y267-A409 HydrophobicContact CG-CB 3.77Å; S405-A409 WeakPolarHBondContact O-CB 3.4Å; S405-A409 PolarHBondContact O-N 3.29Å; A406-A409 PolarHBondContact O-N 2.87Å; A409-G412 CarbonylContact O-C 3.55Å; A409-G412 WeakPolarHBondContact O-CA 3.43Å; A409-G412 PolarHBondContact O-N 2.77Å; A409-G412 VanDerWaalsContact O-N 3.14Å; A409-Y413 WeakPolarHBondContact O-CB 3.35Å; A409-Y413 PolarHBondContact O-N 3.32Å; A409-F440 HydrophobicContact CB-CD1 3.92Å; A409-F440 HydrophobicContact CB-CE1 3.7Å |
| 410 | F | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.7 | -51.7 | 174.2 | 170.8 | -99.2 | 0 | 0 | 0 | 111.4 | A406 G412 Y413 V414 I433 V436 A437 F440 F442 P445 P446 V448 | A406-F410 WeakPolarHBondContact O-CB 3.38Å; A406-F410 PolarHBondContact O-N 3.03Å; F410-G412 VanDerWaalsContact C-N 3.28Å; F410-G412 PolarHBondContact O-N 3.28Å; F410-Y413 PolarHBondContact O-N 2.92Å; F410-V414 HydrophobicContact CE1-CG2 4.47Å; F410-V414 HydrophobicContact CE2-CG2 4.22Å; F410-V414 HydrophobicContact CZ-CG2 4.22Å; F410-V414 WeakPolarHBondContact O-CG2 3.44Å; F410-V414 PolarHBondContact O-N 3.16Å; F410-I433 HydrophobicContact CE2-CG2 4.43Å; F410-I433 HydrophobicContact CZ-CG2 3.7Å; F410-V436 HydrophobicContact CD2-CG1 3.79Å; F410-V436 HydrophobicContact CE2-CB 4.07Å; F410-V436 HydrophobicContact CE2-CG1 3.63Å; F410-A437 HydrophobicContact CD2-CB 4.41Å; F410-A437 HydrophobicContact CE2-CB 3.81Å; F410-A437 HydrophobicContact CZ-CB 4.26Å; F410-F440 HydrophobicContact CB-CB 4.36Å; F410-F440 HydrophobicContact CB-CD1 4.37Å; F410-F440 HydrophobicContact CB-CD2 4.06Å; F410-F440 HydrophobicContact CB-CE2 4.49Å; F410-F440 HydrophobicContact CB-CG 4.01Å; F410-F440 AromaticContact CD2-CD2 3.81Å; F410-F440 HydrophobicContact CD2-CD2 3.81Å; F410-F440 HydrophobicContact CD2-CE2 4.3Å; F410-F440 HydrophobicContact CD2-CG 4.45Å; F410-F440 HydrophobicContact CG-CD2 4.45Å; F410-F442 HydrophobicContact CB-CE2 4.38Å; F410-P445 HydrophobicContact CZ-CB 4.08Å; F410-P446 HydrophobicContact CD1-CB 4.07Å; F410-P446 HydrophobicContact CD1-CG 3.97Å; F410-P446 HydrophobicContact CE1-CB 4.19Å; F410-P446 HydrophobicContact CE1-CG 4.25Å; F410-P446 VanDerWaalsContact CE1-O 3.28Å; F410-P446 WeakPolarHBondContact CE1-O 3.39Å; F410-P446 HydrophobicContact CG-CG 4.5Å; F410-V448 HydrophobicContact CD1-CG2 3.79Å; F410-V448 HydrophobicContact CE1-CG2 3.31Å; F410-V448 HydrophobicContact CZ-CG2 4.27Å |
| 411 | K | 96 | Very high | 94.9 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.7 | -42.1 | 173.9 | -70.3 | 169.8 | -178.3 | 176 | 0 | 112.1 | K407 E408 R415 Y447 V448 | K407-K411 WeakPolarHBondContact O-CG 3.31Å; K407-K411 PolarHBondContact O-N 3.19Å; K407-K411 VanDerWaalsContact O-N 3.15Å; E408-K411 IonicContact OE1-NZ 3.7Å; E408-K411 PolarHBondContact OE1-NZ 3.45Å; K411-R415 WeakPolarHBondContact O-CB 3.48Å; K411-R415 VanDerWaalsContact O-CG 3.29Å; K411-R415 WeakPolarHBondContact O-CG 3.47Å; K411-R415 PolarHBondContact O-N 2.97Å; K411-Y447 WeakPolarHBondContact CE-O 3.46Å; K411-V448 HydrophobicContact CB-CG1 4.4Å; K411-V448 HydrophobicContact CG-CG1 4.27Å; K411-V448 HydrophobicContact CG-CG2 3.94Å |
| 412 | G | 94.7 | Very high | 94.5 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -41 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | E408 A409 F410 A416 | E408-G412 PolarHBondContact O-N 2.81Å; A409-G412 CarbonylContact O-C 3.55Å; A409-G412 WeakPolarHBondContact O-CA 3.43Å; A409-G412 PolarHBondContact O-N 2.77Å; A409-G412 VanDerWaalsContact O-N 3.14Å; F410-G412 VanDerWaalsContact C-N 3.28Å; F410-G412 PolarHBondContact O-N 3.28Å; G412-A416 VanDerWaalsContact O-CB 3.27Å; G412-A416 WeakPolarHBondContact O-CB 3.45Å; G412-A416 PolarHBondContact O-N 3.21Å |
| 413 | Y | 95.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -51.9 | 174.7 | 173.8 | -93.2 | 0 | 0 | 0 | 111.4 | R239 D328 Q358 A409 F410 R415 A416 Y417 L431 V436 F440 | R239-Y413 PolarHBondContact NH1-OH 3.23Å; D328-Y413 VanDerWaalsContact OD1-CE2 3.29Å; D328-Y413 WeakPolarHBondContact OD1-CE2 3.43Å; Q358-Y413 PolarHBondContact NE2-OH 3.27Å; A409-Y413 WeakPolarHBondContact O-CB 3.35Å; A409-Y413 PolarHBondContact O-N 3.32Å; F410-Y413 PolarHBondContact O-N 2.92Å; Y413-R415 VanDerWaalsContact C-N 3.32Å; Y413-R415 PolarHBondContact O-N 3.28Å; Y413-A416 WeakPolarHBondContact O-CB 3.38Å; Y413-A416 PolarHBondContact O-N 3.39Å; Y413-A416 VanDerWaalsContact O-N 3.11Å; Y413-Y417 HydrophobicContact CE1-CD2 4.44Å; Y413-Y417 WeakPolarHBondContact O-CB 3.17Å; Y413-Y417 PolarHBondContact O-N 3.01Å; Y413-L431 HydrophobicContact CE1-CD2 4.05Å; Y413-V436 HydrophobicContact CD1-CG1 3.62Å; Y413-V436 HydrophobicContact CE1-CG1 3.69Å; Y413-V436 HydrophobicContact CE1-CG2 4.01Å; Y413-F440 HydrophobicContact CD1-CE2 4.33Å; Y413-F440 HydrophobicContact CD2-CZ 4.49Å; Y413-F440 HydrophobicContact CG-CE2 4.15Å; Y413-F440 HydrophobicContact CG-CZ 4.06Å |
| 414 | V | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | -178.3 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | F410 Y417 D418 V428 I433 V436 V448 I450 | F410-V414 HydrophobicContact CE1-CG2 4.47Å; F410-V414 HydrophobicContact CE2-CG2 4.22Å; F410-V414 HydrophobicContact CZ-CG2 4.22Å; F410-V414 WeakPolarHBondContact O-CG2 3.44Å; F410-V414 PolarHBondContact O-N 3.16Å; V414-Y417 WeakPolarHBondContact O-CB 3.46Å; V414-Y417 PolarHBondContact O-N 3.16Å; V414-D418 PolarHBondContact O-N 3.44Å; V414-V428 HydrophobicContact CG1-CG2 4.06Å; V414-I433 HydrophobicContact CG1-CD1 4.28Å; V414-I433 HydrophobicContact CG2-CD1 4.28Å; V414-V436 HydrophobicContact CG2-CG1 4.48Å; V414-V448 HydrophobicContact CB-CG1 4.4Å; V414-V448 HydrophobicContact CG1-CG1 4.19Å; V414-I450 HydrophobicContact CG1-CD1 3.22Å; V414-I450 HydrophobicContact CG1-CG1 3.98Å |
| 415 | R | 93.6 | Very high | 93.5 | Very high | 127 Ų | 127 | 46.3 Ų | 46.3 | 48% | 0.479 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.3 | -39 | 174.8 | -73.2 | 173.3 | 175.4 | 171.1 | -4.1 | 113 | K411 Y413 Y417 D418 S419 | K411-R415 WeakPolarHBondContact O-CB 3.48Å; K411-R415 VanDerWaalsContact O-CG 3.29Å; K411-R415 WeakPolarHBondContact O-CG 3.47Å; K411-R415 PolarHBondContact O-N 2.97Å; Y413-R415 VanDerWaalsContact C-N 3.32Å; Y413-R415 PolarHBondContact O-N 3.28Å; R415-Y417 VanDerWaalsContact C-N 3.29Å; R415-D418 PolarHBondContact O-N 3.35Å; R415-S419 WeakPolarHBondContact O-CB 3.37Å; R415-S419 PolarHBondContact O-N 3.37Å; R415-S419 PolarHBondContact O-OG 2.83Å; R415-S419 VanDerWaalsContact O-OG 3.12Å |
| 416 | A | 91.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G412 Y413 S419 H420 | G412-A416 VanDerWaalsContact O-CB 3.27Å; G412-A416 WeakPolarHBondContact O-CB 3.45Å; G412-A416 PolarHBondContact O-N 3.21Å; Y413-A416 WeakPolarHBondContact O-CB 3.38Å; Y413-A416 PolarHBondContact O-N 3.39Å; Y413-A416 VanDerWaalsContact O-N 3.11Å; A416-S419 WeakPolarHBondContact CA-OG 3.36Å; A416-S419 CarbonylContact O-C 3.58Å; A416-S419 PolarHBondContact O-N 3.08Å; A416-S419 PolarHBondContact O-OG 3.06Å; A416-H420 PolarHBondContact O-N 3.3Å; A416-H420 VanDerWaalsContact O-N 3.1Å |
| 417 | Y | 92.7 | Very high | 93 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.8 | -154.5 | -86.9 | 0 | 0 | 0 | 112.2 | E361 Y413 V414 R415 S419 H420 F426 V428 L431 | E361-Y417 WeakPolarHBondContact OE1-CE2 3.48Å; Y413-Y417 HydrophobicContact CE1-CD2 4.44Å; Y413-Y417 WeakPolarHBondContact O-CB 3.17Å; Y413-Y417 PolarHBondContact O-N 3.01Å; V414-Y417 WeakPolarHBondContact O-CB 3.46Å; V414-Y417 PolarHBondContact O-N 3.16Å; R415-Y417 VanDerWaalsContact C-N 3.29Å; Y417-S419 VanDerWaalsContact C-N 3.33Å; Y417-S419 PolarHBondContact O-N 3.09Å; Y417-H420 WeakPolarHBondContact O-CB 3.21Å; Y417-H420 PolarHBondContact O-N 2.96Å; Y417-F426 HydrophobicContact CD1-CB 4.36Å; Y417-F426 HydrophobicContact CD2-CD1 4.47Å; Y417-F426 HydrophobicContact CE1-CB 3.96Å; Y417-F426 HydrophobicContact CE2-CB 4.27Å; Y417-F426 AromaticContact CE2-CD1 3.75Å; Y417-F426 HydrophobicContact CE2-CD1 3.75Å; Y417-F426 AromaticContact CZ-CD1 3.93Å; Y417-V428 HydrophobicContact CD1-CB 4.07Å; Y417-V428 HydrophobicContact CD1-CG2 4.46Å; Y417-L431 HydrophobicContact CD1-CD2 4.06Å; Y417-L431 HydrophobicContact CD2-CD2 4.49Å; Y417-L431 HydrophobicContact CE1-CB 4.34Å; Y417-L431 HydrophobicContact CE1-CD1 4.23Å; Y417-L431 HydrophobicContact CE1-CD2 4.42Å; Y417-L431 HydrophobicContact CE2-CD1 4.22Å; Y417-L431 HydrophobicContact CG-CD2 4.07Å |
| 418 | D | 92 | Very high | 92.6 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 31% | 0.305 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 173.9 | 177.2 | 43.4 | 0 | 0 | 0 | 112.7 | V414 R415 H420 K423 V428 I450 | V414-D418 PolarHBondContact O-N 3.44Å; R415-D418 PolarHBondContact O-N 3.35Å; D418-H420 PolarHBondContact O-N 3.26Å; D418-K423 WeakPolarHBondContact O-CE 3.34Å; D418-K423 PolarHBondContact O-NZ 2.96Å; D418-K423 IonicContact OD1-NZ 2.73Å; D418-K423 PolarHBondContact OD1-NZ 3.46Å; D418-V428 HydrophobicContact CB-CB 4Å; D418-V428 HydrophobicContact CB-CG1 3.85Å; D418-V428 HydrophobicContact CB-CG2 4.14Å; D418-I450 HydrophobicContact CB-CG2 4.09Å |
| 419 | S | 89.4 | Confident | 92.2 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 59% | 0.594 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.8 | 177.9 | 66.3 | 0 | 0 | 0 | 0 | 114.4 | R415 A416 Y417 | R415-S419 WeakPolarHBondContact O-CB 3.37Å; R415-S419 PolarHBondContact O-N 3.37Å; R415-S419 PolarHBondContact O-OG 2.83Å; R415-S419 VanDerWaalsContact O-OG 3.12Å; A416-S419 WeakPolarHBondContact CA-OG 3.36Å; A416-S419 CarbonylContact O-C 3.58Å; A416-S419 PolarHBondContact O-N 3.08Å; A416-S419 PolarHBondContact O-OG 3.06Å; Y417-S419 VanDerWaalsContact C-N 3.33Å; Y417-S419 PolarHBondContact O-N 3.09Å |
| 420 | H | 90 | Very high | 91.8 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | trans | -62.1 | 139.9 | -174.7 | -165.8 | -72.3 | 0 | 0 | 0 | 111.3 | P330 D331 A416 Y417 D418 L422 K423 F426 | P330-H420 PolarHBondContact O-NE2 3.39Å; D331-H420 WeakPolarHBondContact CA-NE2 3.47Å; D331-H420 PolarHBondContact O-CE1 3.24Å; D331-H420 VanDerWaalsContact O-CE1 3.27Å; D331-H420 IonicContact OD1-CD2 3.42Å; D331-H420 PolarHBondContact OD1-CD2 2.81Å; D331-H420 IonicContact OD1-CG 2.66Å; D331-H420 IonicContact OD1-NE2 3.5Å; A416-H420 PolarHBondContact O-N 3.3Å; A416-H420 VanDerWaalsContact O-N 3.1Å; Y417-H420 WeakPolarHBondContact O-CB 3.21Å; Y417-H420 PolarHBondContact O-N 2.96Å; D418-H420 PolarHBondContact O-N 3.26Å; H420-L422 PolarHBondContact ND1-N 3.28Å; H420-L422 VanDerWaalsContact ND1-N 3.12Å; H420-L422 PolarHBondContact O-N 3.46Å; H420-K423 WeakPolarHBondContact O-CG 3.21Å; H420-F426 HydrophobicContact CB-CB 3.79Å; H420-F426 HydrophobicContact CB-CG 4.43Å; H420-F426 AromaticContact CD2-CD2 3.92Å; H420-F426 AromaticContact CD2-CG 3.7Å; H420-F426 AromaticContact CE1-CD2 3.02Å; H420-F426 WeakPolarHBondContact CE1-CD2 3.45Å; H420-F426 AromaticContact CE1-CE2 3.25Å; H420-F426 WeakPolarHBondContact CE1-CE2 3.44Å; H420-F426 AromaticContact CE1-CG 3.64Å; H420-F426 AromaticContact CG-CD2 3.82Å; H420-F426 AromaticContact CG-CG 3.68Å; H420-F426 AromaticContact ND1-CD2 3.25Å; H420-F426 VanDerWaalsContact ND1-CD2 3.25Å; H420-F426 WeakPolarHBondContact ND1-CD2 3.33Å; H420-F426 AromaticContact ND1-CE2 3.97Å; H420-F426 AromaticContact ND1-CG 3.62Å; H420-F426 AromaticContact NE2-CD1 3.97Å; H420-F426 AromaticContact NE2-CD2 3.43Å; H420-F426 WeakPolarHBondContact NE2-CD2 3.17Å; H420-F426 AromaticContact NE2-CE2 3.51Å; H420-F426 AromaticContact NE2-CG 3.65Å; H420-F426 AromaticContact NE2-CZ 3.82Å | ||
| 421 | Y | 87 | Confident | 91.5 | Very high | 179 Ų | 179 | 55.4 Ų | 55.4 | 70% | 0.702 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -61.8 | -47.8 | -176.4 | -179.8 | -110.8 | 0 | 0 | 0 | 112.5 | K423 | Y421-K423 VanDerWaalsContact C-N 3.32Å; Y421-K423 PolarHBondContact O-N 3.37Å; Y421-K423 VanDerWaalsContact O-N 3.07Å |
| 422 | L | 89.3 | Confident | 91.4 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | trans | -83.5 | 59.5 | 178.1 | -58.4 | 172.6 | 0 | 0 | 0 | 113.3 | F364 Y367 H420 H424 I425 F426 | F364-L422 HydrophobicContact CD2-CD1 3.77Å; F364-L422 HydrophobicContact CE2-CD1 3.88Å; Y367-L422 HydrophobicContact CD2-CD1 4.22Å; Y367-L422 HydrophobicContact CE1-CD2 4.17Å; Y367-L422 HydrophobicContact CE2-CD1 4.46Å; Y367-L422 HydrophobicContact CE2-CD2 4.5Å; Y367-L422 HydrophobicContact CG-CD1 4.3Å; H420-L422 PolarHBondContact ND1-N 3.28Å; H420-L422 VanDerWaalsContact ND1-N 3.12Å; H420-L422 PolarHBondContact O-N 3.46Å; L422-H424 PolarHBondContact O-N 3.25Å; L422-I425 HydrophobicContact CD1-CD1 4.42Å; L422-I425 PolarHBondContact O-N 2.95Å; L422-F426 HydrophobicContact CB-CD2 4.03Å; L422-F426 HydrophobicContact CB-CE2 4.38Å; L422-F426 PolarHBondContact O-N 3.05Å | ||
| 423 | K | 89.4 | Confident | 91.4 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -24.4 | -176.7 | -65 | -163 | 178 | -137.4 | 0 | 115.7 | D418 H420 Y421 I425 F426 D427 | D418-K423 WeakPolarHBondContact O-CE 3.34Å; D418-K423 PolarHBondContact O-NZ 2.96Å; D418-K423 IonicContact OD1-NZ 2.73Å; D418-K423 PolarHBondContact OD1-NZ 3.46Å; H420-K423 WeakPolarHBondContact O-CG 3.21Å; Y421-K423 VanDerWaalsContact C-N 3.32Å; Y421-K423 PolarHBondContact O-N 3.37Å; Y421-K423 VanDerWaalsContact O-N 3.07Å; K423-I425 VanDerWaalsContact C-N 3.26Å; K423-I425 PolarHBondContact O-N 2.9Å; K423-F426 CarbonylContact O-C 3.56Å; K423-D427 VanDerWaalsContact O-CA 3.23Å; K423-D427 WeakPolarHBondContact O-CA 3.19Å; K423-D427 VanDerWaalsContact O-CB 3.31Å; K423-D427 WeakPolarHBondContact O-CB 3.31Å; K423-D427 PolarHBondContact O-N 3.47Å |
| 424 | H | 90.1 | Very high | 91.3 | Very high | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.7 | 177.7 | 67.4 | -82.4 | 0 | 0 | 0 | 113.5 | Y367 L422 | Y367-H424 AromaticContact CE2-NE2 3.68Å; Y367-H424 AromaticContact CZ-CE1 3.92Å; Y367-H424 AromaticContact CZ-NE2 3.78Å; Y367-H424 PolarHBondContact OH-CE1 3.45Å; Y367-H424 PolarHBondContact OH-NE2 3.37Å; Y367-H424 VanDerWaalsContact OH-NE2 3.1Å; L422-H424 PolarHBondContact O-N 3.25Å |
| 425 | I | 92.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -53.5 | 170.1 | -62.8 | 173.3 | 0 | 0 | 0 | 108.8 | E361 K363 Y367 L422 K423 D427 | E361-I425 HydrophobicContact CB-CG2 4.48Å; K363-I425 HydrophobicContact CB-CD1 3.8Å; K363-I425 HydrophobicContact CB-CG1 3.8Å; K363-I425 HydrophobicContact CB-CG2 4.37Å; Y367-I425 HydrophobicContact CD2-CD1 3.71Å; Y367-I425 HydrophobicContact CE2-CD1 3.51Å; L422-I425 HydrophobicContact CD1-CD1 4.42Å; L422-I425 PolarHBondContact O-N 2.95Å; K423-I425 VanDerWaalsContact C-N 3.26Å; K423-I425 PolarHBondContact O-N 2.9Å; I425-D427 PolarHBondContact O-N 2.8Å; I425-D427 VanDerWaalsContact O-N 3.1Å |
| 426 | F | 92.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -91.7 | 62.4 | -178.1 | -58.1 | -88.4 | 0 | 0 | 0 | 109.6 | P329 E361 F364 Y417 H420 L422 K423 V428 | P329-F426 HydrophobicContact CB-CE1 3.73Å; P329-F426 HydrophobicContact CB-CZ 3.74Å; P329-F426 HydrophobicContact CG-CE1 3.86Å; P329-F426 HydrophobicContact CG-CZ 4.26Å; E361-F426 HydrophobicContact CB-CE1 4.02Å; E361-F426 HydrophobicContact CB-CZ 4.4Å; E361-F426 HydrophobicContact CG-CD1 3.87Å; E361-F426 HydrophobicContact CG-CE1 3.56Å; E361-F426 HydrophobicContact CG-CZ 4.39Å; F364-F426 HydrophobicContact CB-CE2 4.31Å; F364-F426 HydrophobicContact CB-CZ 4.14Å; F364-F426 AromaticContact CD2-CE2 4Å; F364-F426 HydrophobicContact CD2-CE2 4Å; F364-F426 HydrophobicContact CD2-CZ 4.25Å; F364-F426 HydrophobicContact CG-CE2 4.31Å; F364-F426 HydrophobicContact CG-CZ 4.15Å; Y417-F426 HydrophobicContact CD1-CB 4.36Å; Y417-F426 HydrophobicContact CD2-CD1 4.47Å; Y417-F426 HydrophobicContact CE1-CB 3.96Å; Y417-F426 HydrophobicContact CE2-CB 4.27Å; Y417-F426 AromaticContact CE2-CD1 3.75Å; Y417-F426 HydrophobicContact CE2-CD1 3.75Å; Y417-F426 AromaticContact CZ-CD1 3.93Å; H420-F426 HydrophobicContact CB-CB 3.79Å; H420-F426 HydrophobicContact CB-CG 4.43Å; H420-F426 AromaticContact CD2-CD2 3.92Å; H420-F426 AromaticContact CD2-CG 3.7Å; H420-F426 AromaticContact CE1-CD2 3.02Å; H420-F426 WeakPolarHBondContact CE1-CD2 3.45Å; H420-F426 AromaticContact CE1-CE2 3.25Å; H420-F426 WeakPolarHBondContact CE1-CE2 3.44Å; H420-F426 AromaticContact CE1-CG 3.64Å; H420-F426 AromaticContact CG-CD2 3.82Å; H420-F426 AromaticContact CG-CG 3.68Å; H420-F426 AromaticContact ND1-CD2 3.25Å; H420-F426 VanDerWaalsContact ND1-CD2 3.25Å; H420-F426 WeakPolarHBondContact ND1-CD2 3.33Å; H420-F426 AromaticContact ND1-CE2 3.97Å; H420-F426 AromaticContact ND1-CG 3.62Å; H420-F426 AromaticContact NE2-CD1 3.97Å; H420-F426 AromaticContact NE2-CD2 3.43Å; H420-F426 WeakPolarHBondContact NE2-CD2 3.17Å; H420-F426 AromaticContact NE2-CE2 3.51Å; H420-F426 AromaticContact NE2-CG 3.65Å; H420-F426 AromaticContact NE2-CZ 3.82Å; L422-F426 HydrophobicContact CB-CD2 4.03Å; L422-F426 HydrophobicContact CB-CE2 4.38Å; L422-F426 PolarHBondContact O-N 3.05Å; K423-F426 CarbonylContact O-C 3.56Å; F426-V428 PolarHBondContact O-N 3.49Å |
| 427 | D | 91 | Very high | 91.7 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | trans | -84.8 | 105.2 | -176.8 | -172.5 | -13.5 | 0 | 0 | 0 | 110.3 | K423 I425 Q429 K430 L431 | K423-D427 VanDerWaalsContact O-CA 3.23Å; K423-D427 WeakPolarHBondContact O-CA 3.19Å; K423-D427 VanDerWaalsContact O-CB 3.31Å; K423-D427 WeakPolarHBondContact O-CB 3.31Å; K423-D427 PolarHBondContact O-N 3.47Å; I425-D427 PolarHBondContact O-N 2.8Å; I425-D427 VanDerWaalsContact O-N 3.1Å; D427-Q429 PolarHBondContact O-N 2.98Å; D427-Q429 VanDerWaalsContact O-N 3.17Å; D427-Q429 VanDerWaalsContact OD1-CB 3.27Å; D427-Q429 WeakPolarHBondContact OD1-CB 3.25Å; D427-Q429 PolarHBondContact OD1-N 2.9Å; D427-K430 HydrophobicContact CB-CB 4.26Å; D427-K430 HydrophobicContact CB-CD 4.17Å; D427-K430 HydrophobicContact CB-CG 4.28Å; D427-K430 PolarHBondContact O-N 2.92Å; D427-K430 WeakPolarHBondContact OD2-CD 3.4Å; D427-K430 VanDerWaalsContact OD2-CE 3.28Å; D427-K430 WeakPolarHBondContact OD2-CE 3.33Å; D427-K430 IonicContact OD2-NZ 2.64Å; D427-K430 PolarHBondContact OD2-NZ 3.44Å; D427-L431 PolarHBondContact O-N 3.42Å | ||
| 428 | V | 90.3 | Very high | 91.9 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 11% | 0.109 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -59.7 | -26 | 179.9 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | V414 Y417 D418 F426 K430 L431 I450 | V414-V428 HydrophobicContact CG1-CG2 4.06Å; Y417-V428 HydrophobicContact CD1-CB 4.07Å; Y417-V428 HydrophobicContact CD1-CG2 4.46Å; D418-V428 HydrophobicContact CB-CB 4Å; D418-V428 HydrophobicContact CB-CG1 3.85Å; D418-V428 HydrophobicContact CB-CG2 4.14Å; F426-V428 PolarHBondContact O-N 3.49Å; V428-K430 PolarHBondContact O-N 2.87Å; V428-L431 HydrophobicContact CG2-CD2 4.46Å; V428-L431 WeakPolarHBondContact O-CB 3.49Å; V428-L431 PolarHBondContact O-N 3.14Å; V428-I450 HydrophobicContact CG2-CD1 4.27Å |
| 429 | Q | 88.1 | Confident | 92.1 | Very high | 158 Ų | 158 | 55 Ų | 55 | 74% | 0.738 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -72.3 | -22.1 | 179.3 | -55.2 | -178.9 | -6.2 | 0 | 0 | 112.1 | D427 | D427-Q429 PolarHBondContact O-N 2.98Å; D427-Q429 VanDerWaalsContact O-N 3.17Å; D427-Q429 VanDerWaalsContact OD1-CB 3.27Å; D427-Q429 WeakPolarHBondContact OD1-CB 3.25Å; D427-Q429 PolarHBondContact OD1-N 2.9Å |
| 430 | K | 89.6 | Confident | 92.5 | Very high | 152 Ų | 152 | 51.2 Ų | 51.2 | 66% | 0.661 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -98.9 | 0.7 | 176.5 | -65.4 | 177.6 | -174.5 | 126.9 | 0 | 113 | D427 V428 | D427-K430 HydrophobicContact CB-CB 4.26Å; D427-K430 HydrophobicContact CB-CD 4.17Å; D427-K430 HydrophobicContact CB-CG 4.28Å; D427-K430 PolarHBondContact O-N 2.92Å; D427-K430 WeakPolarHBondContact OD2-CD 3.4Å; D427-K430 VanDerWaalsContact OD2-CE 3.28Å; D427-K430 WeakPolarHBondContact OD2-CE 3.33Å; D427-K430 IonicContact OD2-NZ 2.64Å; D427-K430 PolarHBondContact OD2-NZ 3.44Å; V428-K430 PolarHBondContact O-N 2.87Å |
| 431 | L | 91.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -76.6 | 124.8 | -179 | -173.4 | 66.6 | 0 | 0 | 0 | 109.6 | Y413 Y417 D427 V428 I433 V436 | Y413-L431 HydrophobicContact CE1-CD2 4.05Å; Y417-L431 HydrophobicContact CD1-CD2 4.06Å; Y417-L431 HydrophobicContact CD2-CD2 4.49Å; Y417-L431 HydrophobicContact CE1-CB 4.34Å; Y417-L431 HydrophobicContact CE1-CD1 4.23Å; Y417-L431 HydrophobicContact CE1-CD2 4.42Å; Y417-L431 HydrophobicContact CE2-CD1 4.22Å; Y417-L431 HydrophobicContact CG-CD2 4.07Å; D427-L431 PolarHBondContact O-N 3.42Å; V428-L431 HydrophobicContact CG2-CD2 4.46Å; V428-L431 WeakPolarHBondContact O-CB 3.49Å; V428-L431 PolarHBondContact O-N 3.14Å; L431-I433 HydrophobicContact CB-CD1 4.33Å; L431-I433 HydrophobicContact CD2-CD1 4Å; L431-I433 HydrophobicContact CG-CD1 4.22Å; L431-I433 PolarHBondContact O-N 2.87Å; L431-V436 HydrophobicContact CD1-CG2 3.75Å; L431-V436 HydrophobicContact CD2-CG2 3.96Å; L431-V436 HydrophobicContact CG-CG2 3.71Å |
| 432 | D | 93.5 | Very high | 93.3 | Very high | 93 Ų | 93 | 43 Ų | 43 | 50% | 0.497 | 21% | 0.213 | S | C | . | . | trans | -71.7 | 92.9 | 173.3 | -176.4 | -17.3 | 0 | 0 | 0 | 109.8 | A434 A435 V436 | D432-A434 PolarHBondContact O-N 3.19Å; D432-A434 PolarHBondContact OD1-N 2.91Å; D432-A435 HydrophobicContact CB-CB 3.89Å; D432-A435 VanDerWaalsContact CG-CB 3.41Å; D432-A435 PolarHBondContact O-N 2.79Å; D432-A435 PolarHBondContact OD1-N 3.4Å; D432-A435 WeakPolarHBondContact OD2-CB 3.16Å; D432-V436 VanDerWaalsContact O-CG2 3.23Å; D432-V436 WeakPolarHBondContact O-CG2 3.35Å; D432-V436 PolarHBondContact O-N 2.96Å | ||
| 433 | I | 93.8 | Very high | 93.5 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -32.8 | -177.5 | -59.4 | -58.1 | 0 | 0 | 0 | 112 | F410 V414 L431 A437 P445 V455 | F410-I433 HydrophobicContact CE2-CG2 4.43Å; F410-I433 HydrophobicContact CZ-CG2 3.7Å; V414-I433 HydrophobicContact CG1-CD1 4.28Å; V414-I433 HydrophobicContact CG2-CD1 4.28Å; L431-I433 HydrophobicContact CB-CD1 4.33Å; L431-I433 HydrophobicContact CD2-CD1 4Å; L431-I433 HydrophobicContact CG-CD1 4.22Å; L431-I433 PolarHBondContact O-N 2.87Å; I433-A437 WeakPolarHBondContact O-CB 3.46Å; I433-A437 PolarHBondContact O-N 3.17Å; I433-P445 HydrophobicContact CG2-CB 3.84Å; I433-P445 HydrophobicContact CG2-CG 4.43Å; I433-V455 HydrophobicContact CB-CG1 4.37Å; I433-V455 HydrophobicContact CG1-CG1 4.31Å; I433-V455 HydrophobicContact CG2-CG1 4.35Å |
| 434 | A | 94.5 | Very high | 93.7 | Very high | 46 Ų | 46 | 48 Ų | 48 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.8 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D432 A437 K438 P445 | D432-A434 PolarHBondContact O-N 3.19Å; D432-A434 PolarHBondContact OD1-N 2.91Å; A434-A437 WeakPolarHBondContact O-CB 3.47Å; A434-A437 PolarHBondContact O-N 3Å; A434-K438 PolarHBondContact O-N 3.43Å; A434-P445 HydrophobicContact CB-CG 4.32Å |
| 435 | A | 95.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | V236 E237 D432 A437 K438 S439 | V236-A435 HydrophobicContact CG1-CB 3.38Å; E237-A435 WeakPolarHBondContact CA-O 3.47Å; E237-A435 HydrophobicContact CB-CB 4.17Å; E237-A435 WeakPolarHBondContact CB-O 3.39Å; D432-A435 HydrophobicContact CB-CB 3.89Å; D432-A435 VanDerWaalsContact CG-CB 3.41Å; D432-A435 PolarHBondContact O-N 2.79Å; D432-A435 PolarHBondContact OD1-N 3.4Å; D432-A435 WeakPolarHBondContact OD2-CB 3.16Å; A435-A437 VanDerWaalsContact C-N 3.31Å; A435-A437 PolarHBondContact O-N 3.12Å; A435-K438 WeakPolarHBondContact O-CB 3.42Å; A435-K438 PolarHBondContact O-N 2.8Å; A435-S439 PolarHBondContact O-N 3.45Å |
| 436 | V | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.2 | -45.7 | 172.2 | 175.9 | 0 | 0 | 0 | 0 | 110 | V236 F410 Y413 V414 L431 D432 K438 S439 F440 | V236-V436 HydrophobicContact CG1-CG2 4.17Å; V236-V436 HydrophobicContact CG2-CB 4.42Å; V236-V436 HydrophobicContact CG2-CG2 3.68Å; F410-V436 HydrophobicContact CD2-CG1 3.79Å; F410-V436 HydrophobicContact CE2-CB 4.07Å; F410-V436 HydrophobicContact CE2-CG1 3.63Å; Y413-V436 HydrophobicContact CD1-CG1 3.62Å; Y413-V436 HydrophobicContact CE1-CG1 3.69Å; Y413-V436 HydrophobicContact CE1-CG2 4.01Å; V414-V436 HydrophobicContact CG2-CG1 4.48Å; L431-V436 HydrophobicContact CD1-CG2 3.75Å; L431-V436 HydrophobicContact CD2-CG2 3.96Å; L431-V436 HydrophobicContact CG-CG2 3.71Å; D432-V436 VanDerWaalsContact O-CG2 3.23Å; D432-V436 WeakPolarHBondContact O-CG2 3.35Å; D432-V436 PolarHBondContact O-N 2.96Å; V436-K438 VanDerWaalsContact C-N 3.28Å; V436-K438 PolarHBondContact O-N 3.37Å; V436-S439 WeakPolarHBondContact O-CB 3.49Å; V436-S439 PolarHBondContact O-N 3.32Å; V436-S439 PolarHBondContact O-OG 3.4Å; V436-F440 HydrophobicContact CG1-CD2 4.18Å; V436-F440 HydrophobicContact CG1-CE2 3.92Å; V436-F440 WeakPolarHBondContact O-CD2 3.43Å; V436-F440 PolarHBondContact O-N 2.97Å |
| 437 | A | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F410 I433 A434 A435 S439 F440 G441 F442 P445 | F410-A437 HydrophobicContact CD2-CB 4.41Å; F410-A437 HydrophobicContact CE2-CB 3.81Å; F410-A437 HydrophobicContact CZ-CB 4.26Å; I433-A437 WeakPolarHBondContact O-CB 3.46Å; I433-A437 PolarHBondContact O-N 3.17Å; A434-A437 WeakPolarHBondContact O-CB 3.47Å; A434-A437 PolarHBondContact O-N 3Å; A435-A437 VanDerWaalsContact C-N 3.31Å; A435-A437 PolarHBondContact O-N 3.12Å; A437-S439 VanDerWaalsContact C-N 3.29Å; A437-S439 PolarHBondContact O-N 3.47Å; A437-F440 CarbonylContact O-C 3.56Å; A437-F440 PolarHBondContact O-N 3.13Å; A437-G441 PolarHBondContact O-N 3.2Å; A437-F442 CarbonylContact C-O 3.59Å; A437-F442 HydrophobicContact CB-CB 4.04Å; A437-F442 PolarHBondContact O-N 3.11Å; A437-P445 HydrophobicContact CB-CB 3.74Å; A437-P445 HydrophobicContact CB-CG 4.41Å |
| 438 | K | 97.2 | Very high | 93.4 | Very high | 92 Ų | 92 | 51 Ų | 51 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -38.2 | 174 | -70.9 | -178.4 | 179.4 | -177.3 | 0 | 112.6 | E237 Q389 A434 A435 V436 F440 G441 F442 | E237-K438 HydrophobicContact CB-CB 3.96Å; E237-K438 HydrophobicContact CB-CD 4.35Å; Q389-K438 PolarHBondContact NE2-O 2.96Å; A434-K438 PolarHBondContact O-N 3.43Å; A435-K438 WeakPolarHBondContact O-CB 3.42Å; A435-K438 PolarHBondContact O-N 2.8Å; V436-K438 VanDerWaalsContact C-N 3.28Å; V436-K438 PolarHBondContact O-N 3.37Å; K438-F440 PolarHBondContact O-N 2.88Å; K438-G441 PolarHBondContact O-N 2.88Å; K438-F442 WeakPolarHBondContact CA-O 3.4Å; K438-F442 PolarHBondContact N-O 3.33Å |
| 439 | S | 96.1 | Very high | 93 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -19.8 | 176.7 | 82.2 | 0 | 0 | 0 | 0 | 113.8 | V236 F240 A435 V436 A437 | V236-S439 WeakPolarHBondContact O-CB 3.39Å; F240-S439 WeakPolarHBondContact CB-O 3.3Å; A435-S439 PolarHBondContact O-N 3.45Å; V436-S439 WeakPolarHBondContact O-CB 3.49Å; V436-S439 PolarHBondContact O-N 3.32Å; V436-S439 PolarHBondContact O-OG 3.4Å; A437-S439 VanDerWaalsContact C-N 3.29Å; A437-S439 PolarHBondContact O-N 3.47Å |
| 440 | F | 97.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 7.7 | 173 | -68.9 | -88.8 | 0 | 0 | 0 | 113 | Y267 H268 A409 F410 Y413 V436 A437 K438 F442 | Y267-F440 AromaticContact CD1-CD1 3.77Å; Y267-F440 HydrophobicContact CD1-CD1 3.77Å; Y267-F440 HydrophobicContact CD1-CE1 4.1Å; Y267-F440 AromaticContact CE1-CD1 3.57Å; Y267-F440 HydrophobicContact CE1-CD1 3.57Å; Y267-F440 HydrophobicContact CE1-CE1 4.25Å; Y267-F440 HydrophobicContact CE1-CG 4.47Å; Y267-F440 PolarHBondContact OH-O 2.85Å; Y267-F440 VanDerWaalsContact OH-O 3.1Å; H268-F440 AromaticContact CE1-CE1 3.89Å; A409-F440 HydrophobicContact CB-CD1 3.92Å; A409-F440 HydrophobicContact CB-CE1 3.7Å; F410-F440 HydrophobicContact CB-CB 4.36Å; F410-F440 HydrophobicContact CB-CD1 4.37Å; F410-F440 HydrophobicContact CB-CD2 4.06Å; F410-F440 HydrophobicContact CB-CE2 4.49Å; F410-F440 HydrophobicContact CB-CG 4.01Å; F410-F440 AromaticContact CD2-CD2 3.81Å; F410-F440 HydrophobicContact CD2-CD2 3.81Å; F410-F440 HydrophobicContact CD2-CE2 4.3Å; F410-F440 HydrophobicContact CD2-CG 4.45Å; F410-F440 HydrophobicContact CG-CD2 4.45Å; Y413-F440 HydrophobicContact CD1-CE2 4.33Å; Y413-F440 HydrophobicContact CD2-CZ 4.49Å; Y413-F440 HydrophobicContact CG-CE2 4.15Å; Y413-F440 HydrophobicContact CG-CZ 4.06Å; V436-F440 HydrophobicContact CG1-CD2 4.18Å; V436-F440 HydrophobicContact CG1-CE2 3.92Å; V436-F440 WeakPolarHBondContact O-CD2 3.43Å; V436-F440 PolarHBondContact O-N 2.97Å; A437-F440 CarbonylContact O-C 3.56Å; A437-F440 PolarHBondContact O-N 3.13Å; K438-F440 PolarHBondContact O-N 2.88Å; F440-F442 HydrophobicContact CB-CD2 3.92Å; F440-F442 HydrophobicContact CB-CE2 4.09Å |
| 441 | G | 96.9 | Very high | 91 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 21.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | E393 A437 K438 | E393-G441 WeakPolarHBondContact CA-O 3.32Å; A437-G441 PolarHBondContact O-N 3.2Å; K438-G441 PolarHBondContact O-N 2.88Å |
| 442 | F | 97.3 | Very high | 88.9 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 6% | 0.057 | 29% | 0.285 | C | S | . | . | trans | -102.8 | 129.4 | 174.9 | -64.8 | -70.8 | 0 | 0 | 0 | 111.6 | I396 H403 A406 K407 F410 A437 K438 F440 P446 | I396-F442 HydrophobicContact CG2-CD1 4.42Å; I396-F442 HydrophobicContact CG2-CE1 4.06Å; I396-F442 HydrophobicContact CG2-CZ 4.26Å; H403-F442 AromaticContact CE1-CE1 3.54Å; H403-F442 AromaticContact ND1-CE1 3.88Å; H403-F442 AromaticContact NE2-CE1 3.81Å; A406-F442 HydrophobicContact CB-CE2 3.66Å; A406-F442 HydrophobicContact CB-CZ 3.62Å; K407-F442 HydrophobicContact CB-CZ 3.9Å; F410-F442 HydrophobicContact CB-CE2 4.38Å; A437-F442 CarbonylContact C-O 3.59Å; A437-F442 HydrophobicContact CB-CB 4.04Å; A437-F442 PolarHBondContact O-N 3.11Å; K438-F442 WeakPolarHBondContact CA-O 3.4Å; K438-F442 PolarHBondContact N-O 3.33Å; F440-F442 HydrophobicContact CB-CD2 3.92Å; F440-F442 HydrophobicContact CB-CE2 4.09Å; F442-P446 HydrophobicContact CD1-CG 4.03Å; F442-P446 HydrophobicContact CD2-CG 3.69Å; F442-P446 HydrophobicContact CE1-CG 4.04Å; F442-P446 HydrophobicContact CE2-CG 3.69Å; F442-P446 HydrophobicContact CG-CG 3.87Å; F442-P446 HydrophobicContact CZ-CG 3.88Å | ||
| 443 | Q | 93.6 | Very high | 86.8 | Confident | 142 Ų | 142 | 55.9 Ų | 55.9 | 66% | 0.664 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -72.5 | -33.8 | 169.3 | -69.1 | 178.9 | 3.9 | 0 | 0 | 112.1 | E393 | E393-Q443 HydrophobicContact CB-CG 4.46Å; E393-Q443 HydrophobicContact CG-CG 4.18Å; E393-Q443 WeakPolarHBondContact OE2-CG 3.37Å; E393-Q443 PolarHBondContact OE2-NE2 3.49Å |
| 444 | T | 92.8 | Very high | 84.3 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -121.3 | 125.9 | 177.5 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | P446 F458 | T444-P446 WeakPolarHBondContact O-CD 3.19Å; T444-F458 HydrophobicContact CG2-CD2 4.08Å; T444-F458 HydrophobicContact CG2-CE2 3.96Å |
| 445 | P | 92.5 | Very high | 81.8 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 20% | 0.201 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 127.7 | -178.8 | 8.4 | -17.2 | 0 | 0 | 0 | 112.5 | F410 I433 A434 A437 | F410-P445 HydrophobicContact CZ-CB 4.08Å; I433-P445 HydrophobicContact CG2-CB 3.84Å; I433-P445 HydrophobicContact CG2-CG 4.43Å; A434-P445 HydrophobicContact CB-CG 4.32Å; A437-P445 HydrophobicContact CB-CB 3.74Å; A437-P445 HydrophobicContact CB-CG 4.41Å |
| 446 | P | 92.6 | Very high | 79 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 150.4 | 168.9 | -21.4 | 31.7 | 0 | 0 | 0 | 111.6 | K407 F410 F442 T444 V448 | K407-P446 HydrophobicContact CD-CB 4.34Å; K407-P446 HydrophobicContact CG-CB 3.94Å; K407-P446 HydrophobicContact CG-CG 4.29Å; F410-P446 HydrophobicContact CD1-CB 4.07Å; F410-P446 HydrophobicContact CD1-CG 3.97Å; F410-P446 HydrophobicContact CE1-CB 4.19Å; F410-P446 HydrophobicContact CE1-CG 4.25Å; F410-P446 VanDerWaalsContact CE1-O 3.28Å; F410-P446 WeakPolarHBondContact CE1-O 3.39Å; F410-P446 HydrophobicContact CG-CG 4.5Å; F442-P446 HydrophobicContact CD1-CG 4.03Å; F442-P446 HydrophobicContact CD2-CG 3.69Å; F442-P446 HydrophobicContact CE1-CG 4.04Å; F442-P446 HydrophobicContact CE2-CG 3.69Å; F442-P446 HydrophobicContact CG-CG 3.87Å; F442-P446 HydrophobicContact CZ-CG 3.88Å; T444-P446 WeakPolarHBondContact O-CD 3.19Å; P446-V448 PolarHBondContact O-N 3.27Å |
| 447 | Y | 90 | Very high | 76 | Confident | 146 Ų | 146 | 71.6 Ų | 71.6 | 57% | 0.573 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 135 | 173.3 | 177.8 | -99.3 | 0 | 0 | 0 | 112.3 | K411 D449 | K411-Y447 WeakPolarHBondContact CE-O 3.46Å; Y447-D449 HydrophobicContact CE1-CB 4.01Å |
| 448 | V | 86.1 | Confident | 72.9 | Confident | 13 Ų | 13 | 77.7 Ų | 77.7 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | trans | -130.5 | 125.9 | 172.1 | -166 | 0 | 0 | 0 | 0 | 108.3 | F410 K411 V414 P446 I450 | F410-V448 HydrophobicContact CD1-CG2 3.79Å; F410-V448 HydrophobicContact CE1-CG2 3.31Å; F410-V448 HydrophobicContact CZ-CG2 4.27Å; K411-V448 HydrophobicContact CB-CG1 4.4Å; K411-V448 HydrophobicContact CG-CG1 4.27Å; K411-V448 HydrophobicContact CG-CG2 3.94Å; V414-V448 HydrophobicContact CB-CG1 4.4Å; V414-V448 HydrophobicContact CG1-CG1 4.19Å; P446-V448 PolarHBondContact O-N 3.27Å; V448-I450 HydrophobicContact CB-CD1 4.36Å; V448-I450 HydrophobicContact CB-CG1 4.1Å; V448-I450 HydrophobicContact CG1-CD1 4.26Å; V448-I450 HydrophobicContact CG1-CG1 3.68Å | ||
| 449 | D | 82 | Confident | 69.6 | Low | 92 Ų | 92 | 82.7 Ų | 82.7 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | trans | -83.2 | 114.9 | 169.2 | -177.8 | 6.9 | 0 | 0 | 0 | 109 | Y447 | Y447-D449 HydrophobicContact CE1-CB 4.01Š| ||
| 450 | I | 72.1 | Confident | 66.3 | Low | 34 Ų | 34 | 90.4 Ų | 90.4 | 17% | 0.174 | 46% | 0.46 | C | S | . | . | trans | -129.1 | 61.8 | -178.6 | -43.3 | 165.2 | 0 | 0 | 0 | 108.1 | V414 D418 V428 V448 | V414-I450 HydrophobicContact CG1-CD1 3.22Å; V414-I450 HydrophobicContact CG1-CG1 3.98Å; D418-I450 HydrophobicContact CB-CG2 4.09Å; V428-I450 HydrophobicContact CG2-CD1 4.27Å; V448-I450 HydrophobicContact CB-CD1 4.36Å; V448-I450 HydrophobicContact CB-CG1 4.1Å; V448-I450 HydrophobicContact CG1-CD1 4.26Å; V448-I450 HydrophobicContact CG1-CG1 3.68Å | ||
| 451 | G | 63.8 | Low | 63.1 | Low | 58 Ų | 58 | 94.8 Ų | 94.8 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 58.5 | -157 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F453 | G451-F453 PolarHBondContact O-N 3.5Š|
| 452 | E | 46.1 | Very low | 59.9 | Low | 193 Ų | 193 | 103.2 Ų | 103.2 | 90% | 0.902 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -64.3 | 44.1 | -173.6 | -68.7 | -172.3 | 152.2 | 0 | 0 | 115.6 | ||
| 453 | F | 49.8 | Very low | 56.7 | Low | 159 Ų | 159 | 106.8 Ų | 106.8 | 70% | 0.697 | 57% | 0.566 | S | S | * | * | trans | -142.1 | 116.4 | 165.5 | -94.4 | -79.6 | 0 | 0 | 0 | 114.2 | G451 V455 | G451-F453 PolarHBondContact O-N 3.5Å; F453-V455 PolarHBondContact O-N 3.42Å | ||
| 454 | F | 41.8 | Very low | 53.7 | Low | 158 Ų | 158 | 103 Ų | 103 | 69% | 0.693 | 57% | 0.565 | S | S | * | * | trans | -68.1 | 101.1 | 171 | -125.5 | -87.2 | 0 | 0 | 0 | 109.4 | L456 | F454-L456 HydrophobicContact CD1-CB 4.04Å; F454-L456 HydrophobicContact CD1-CD1 3.35Å; F454-L456 HydrophobicContact CD1-CG 3.45Å; F454-L456 VanDerWaalsContact CD1-CG 3.45Å; F454-L456 HydrophobicContact CE1-CD1 3.43Å; F454-L456 VanDerWaalsContact CE1-CD1 3.43Å; F454-L456 HydrophobicContact CE1-CG 3.63Å; F454-L456 HydrophobicContact CG-CD1 4.42Å; F454-L456 PolarHBondContact O-N 3.32Å | ||
| 455 | V | 41.2 | Very low | 50.7 | Low | 76 Ų | 76 | 109.1 Ų | 109.1 | 46% | 0.461 | 59% | 0.585 | S | S | . | * | trans | -81.1 | 74.3 | 163.5 | -171.7 | 0 | 0 | 0 | 0 | 107.5 | I433 F453 G457 | I433-V455 HydrophobicContact CB-CG1 4.37Å; I433-V455 HydrophobicContact CG1-CG1 4.31Å; I433-V455 HydrophobicContact CG2-CG1 4.35Å; F453-V455 PolarHBondContact O-N 3.42Å; V455-G457 PolarHBondContact O-N 3.31Å | ||
| 456 | L | 36.1 | Very low | 47.6 | Very low | 132 Ų | 132 | 112.8 Ų | 112.8 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | trans | -70.2 | 84.9 | 168.5 | -112.6 | 159.7 | 0 | 0 | 0 | 107.7 | F454 F458 | F454-L456 HydrophobicContact CD1-CB 4.04Å; F454-L456 HydrophobicContact CD1-CD1 3.35Å; F454-L456 HydrophobicContact CD1-CG 3.45Å; F454-L456 VanDerWaalsContact CD1-CG 3.45Å; F454-L456 HydrophobicContact CE1-CD1 3.43Å; F454-L456 VanDerWaalsContact CE1-CD1 3.43Å; F454-L456 HydrophobicContact CE1-CG 3.63Å; F454-L456 HydrophobicContact CG-CD1 4.42Å; F454-L456 PolarHBondContact O-N 3.32Å; L456-F458 PolarHBondContact O-N 3.01Å | ||
| 457 | G | 33.6 | Very low | 44.7 | Very low | 42 Ų | 42 | 119.8 Ų | 119.8 | 43% | 0.433 | 64% | 0.642 | S | S | . | * | trans | -64.1 | 126.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | V455 | V455-G457 PolarHBondContact O-N 3.31Š| ||
| 458 | F | 31.1 | Very low | 41.9 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 56% | 0.557 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 93.4 | 124.8 | 157.6 | -74.8 | -82.7 | 0 | 0 | 0 | 120.7 | T444 L456 | T444-F458 HydrophobicContact CG2-CD2 4.08Å; T444-F458 HydrophobicContact CG2-CE2 3.96Å; L456-F458 PolarHBondContact O-N 3.01Å |
| 459 | Y | 28.3 | Very low | 39.2 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | 61.5 | 82.5 | 154.7 | -70.4 | -75.3 | 0 | 0 | 0 | 118.9 | ||||
| 460 | L | 27.5 | Very low | 36.7 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 90% | 0.895 | 72% | 0.715 | S | S | * | * | trans | -114.8 | 93.2 | 135.1 | -78.1 | 169.3 | 0 | 0 | 0 | 108.2 | L462 | L460-L462 PolarHBondContact O-N 3.16Š| ||
| 461 | S | 30.6 | Very low | 34.5 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -42.2 | 112 | 154.1 | 166.9 | 0 | 0 | 0 | 0 | 108.4 | A463 | S461-A463 PolarHBondContact O-N 2.87Š| ||
| 462 | L | 28.8 | Very low | 33 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 94% | 0.942 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -64.4 | 79.2 | 170.3 | -77.5 | 163 | 0 | 0 | 0 | 109.2 | L460 | L460-L462 PolarHBondContact O-N 3.16Š|
| 463 | A | 30.1 | Very low | 32.4 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -169.9 | 104.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S461 | S461-A463 PolarHBondContact O-N 2.87Š|
| 464 | G | 31.8 | Very low | 31.5 | Very low | 62 Ų | 62 | 146.4 Ų | 146.4 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 113.1 | 52.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 465 | F | 28.7 | Very low | 30.9 | Very low | 214 Ų | 214 | 145.8 Ų | 145.8 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | -144.2 | 73 | 147.9 | -93.2 | -76 | 0 | 0 | 0 | 110.5 | H467 | F465-H467 PolarHBondContact O-N 3.1Š| ||
| 466 | S | 28.5 | Very low | 30.3 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -76 | 94.3 | 157.7 | 53.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 467 | H | 30.9 | Very low | 29.9 | Very low | 167 Ų | 167 | 151 Ų | 151 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 162.2 | 91.4 | 151.5 | -88.4 | -1.3 | 0 | 0 | 0 | 109.1 | F465 | F465-H467 PolarHBondContact O-N 3.1Š| ||
| 468 | F | 31.3 | Very low | 29.7 | Very low | 219 Ų | 219 | 158.3 Ų | 158.3 | 96% | 0.961 | 82% | 0.823 | S | S | * | * | trans | -157.6 | 90.3 | 140.4 | -107.6 | -78.1 | 0 | 0 | 0 | 107.2 | ||||
| 469 | R | 29.6 | Very low | 29.6 | Very low | 243 Ų | 243 | 160.5 Ų | 160.5 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -73.6 | 124.7 | 168.2 | -96.6 | -179.7 | 166.9 | 175.2 | -4.1 | 108.2 | ||||
| 470 | A | 29.4 | Very low | 29.7 | Very low | 97 Ų | 97 | 157.6 Ų | 157.6 | 80% | 0.802 | 85% | 0.847 | S | S | * | * | trans | 30.7 | 99.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 471 | V | 26.4 | Very low | 29.9 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 75% | 0.752 | 84% | 0.843 | S | S | * | * | trans | -141.2 | 109.3 | 141.7 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 472 | F | 32.4 | Very low | 29.8 | Very low | 278 Ų | 278 | 161.8 Ų | 161.8 | 100% | 1.219 | 86% | 0.857 | S | S | * | * | trans | 151.4 | 0 | 146.6 | -84 | -65.7 | 0 | 0 | 0 | 110.4 |
Retrieved 472 of 472 residues in 336.8 ms
(Link to these results)