| 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 | 37.4 | Very low | 68.8 | Low | 190 Ų | 190 | 71 Ų | 71 | 94% | 0.936 | 41% | 0.41 | S | S | * | . | 0 | 107.9 | 0 | -71.5 | 167.7 | -165.8 | 0 | 0 | 106.5 | L3 | M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.34Å; M1-L3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | S | 36.7 | Very low | 70.5 | Confident | 126 Ų | 126 | 74.3 Ų | 74.3 | 88% | 0.881 | 42% | 0.418 | S | S | * | . | trans | -76.2 | 88.5 | 167.1 | 53.3 | 0 | 0 | 0 | 0 | 106.6 | D4 | S2-D4 PolarHBondContact O-N 3.37Š| ||
| 3 | L | 49.2 | Very low | 71.9 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 24% | 0.241 | 42% | 0.418 | C | S | . | . | trans | -58.1 | 131.3 | 167.1 | -84.1 | 122 | 0 | 0 | 0 | 107.5 | M1 I5 F8 D46 V47 | M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.34Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-I5 PolarHBondContact O-N 2.93Å; L3-F8 HydrophobicContact CB-CD2 4.41Å; L3-F8 HydrophobicContact CB-CE2 3.45Å; L3-F8 VanDerWaalsContact CB-CE2 3.45Å; L3-F8 HydrophobicContact CB-CZ 3.97Å; L3-F8 HydrophobicContact CD1-CE2 4.41Å; L3-F8 HydrophobicContact CD1-CZ 4.19Å; L3-F8 HydrophobicContact CD2-CE1 4.35Å; L3-F8 HydrophobicContact CD2-CE2 3.92Å; L3-F8 HydrophobicContact CD2-CZ 3.55Å; L3-F8 HydrophobicContact CG-CE2 4.1Å; L3-F8 HydrophobicContact CG-CZ 4.09Å; L3-D46 HydrophobicContact CD2-CB 4.25Å; L3-V47 HydrophobicContact CD2-CG2 3.82Å | ||
| 4 | D | 61.1 | Low | 73 | Confident | 111 Ų | 111 | 71.1 Ų | 71.1 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | trans | -62.9 | 108.6 | -179.5 | -124.9 | -25.9 | 0 | 0 | 0 | 108.2 | S2 G6 L7 | S2-D4 PolarHBondContact O-N 3.37Å; D4-G6 PolarHBondContact O-N 2.98Å; D4-L7 PolarHBondContact O-N 3.26Å | ||
| 5 | I | 59 | Low | 73.8 | Confident | 146 Ų | 146 | 71.1 Ų | 71.1 | 75% | 0.749 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -54.1 | -23.5 | -176.7 | -65.6 | 165.8 | 0 | 0 | 0 | 111 | L3 | L3-I5 PolarHBondContact O-N 2.93Å |
| 6 | G | 78.3 | Confident | 74.7 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 40% | 0.402 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D4 F8 S9 V10 | D4-G6 PolarHBondContact O-N 2.98Å; G6-F8 PolarHBondContact O-N 3.02Å; G6-S9 PolarHBondContact O-N 3.04Å; G6-V10 WeakPolarHBondContact O-CG2 3.36Å; G6-V10 PolarHBondContact O-N 3.35Å; G6-V10 VanDerWaalsContact O-N 3.16Å |
| 7 | L | 84.9 | Confident | 75.3 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.5 | -39.2 | -174.7 | -177.7 | 62.7 | 0 | 0 | 0 | 111.7 | D4 S9 V10 L11 L29 L40 Q43 L44 V47 | D4-L7 PolarHBondContact O-N 3.26Å; L7-S9 PolarHBondContact O-N 3.12Å; L7-V10 PolarHBondContact O-N 2.62Å; L7-L11 HydrophobicContact CD1-CG 4.33Å; L7-L11 HydrophobicContact CG-CD1 4.12Å; L7-L11 HydrophobicContact CG-CG 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.26Å; L7-L11 PolarHBondContact O-N 3.22Å; L7-L29 HydrophobicContact CD1-CD2 4.01Å; L7-L40 HydrophobicContact CD1-CD1 4.07Å; L7-Q43 HydrophobicContact CD2-CB 3.59Å; L7-L44 HydrophobicContact CD1-CD2 4.37Å; L7-L44 HydrophobicContact CD2-CD2 4.28Å; L7-V47 HydrophobicContact CD2-CG2 4.3Å |
| 8 | F | 84.6 | Confident | 76.1 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 21% | 0.206 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 176.8 | -74.1 | -57.8 | 0 | 0 | 0 | 112.5 | L3 G6 V10 L11 E12 V47 C53 V57 | L3-F8 HydrophobicContact CB-CD2 4.41Å; L3-F8 HydrophobicContact CB-CE2 3.45Å; L3-F8 VanDerWaalsContact CB-CE2 3.45Å; L3-F8 HydrophobicContact CB-CZ 3.97Å; L3-F8 HydrophobicContact CD1-CE2 4.41Å; L3-F8 HydrophobicContact CD1-CZ 4.19Å; L3-F8 HydrophobicContact CD2-CE1 4.35Å; L3-F8 HydrophobicContact CD2-CE2 3.92Å; L3-F8 HydrophobicContact CD2-CZ 3.55Å; L3-F8 HydrophobicContact CG-CE2 4.1Å; L3-F8 HydrophobicContact CG-CZ 4.09Å; G6-F8 PolarHBondContact O-N 3.02Å; F8-V10 VanDerWaalsContact C-N 3.27Å; F8-V10 PolarHBondContact O-N 2.99Å; F8-L11 PolarHBondContact O-N 3.2Å; F8-E12 WeakPolarHBondContact O-CG 3.3Å; F8-E12 PolarHBondContact O-N 3.21Å; F8-V47 HydrophobicContact CD1-CG1 4.34Å; F8-V47 HydrophobicContact CD1-CG2 4.16Å; F8-V47 HydrophobicContact CE1-CB 4.3Å; F8-V47 HydrophobicContact CE1-CG1 3.9Å; F8-V47 HydrophobicContact CE1-CG2 3.63Å; F8-V47 HydrophobicContact CZ-CG2 4.19Å; F8-C53 HydrophobicContact CE1-CB 4.33Å; F8-C53 WeakPolarHBondContact CE1-SG 3.48Å; F8-C53 VanDerWaalsContact CZ-SG 3.54Å; F8-V57 HydrophobicContact CD1-CG1 3.92Å; F8-V57 HydrophobicContact CE1-CG1 4.45Å |
| 9 | S | 85.3 | Confident | 76.7 | Confident | 49 Ų | 49 | 80.8 Ų | 80.8 | 34% | 0.343 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 179.2 | -177.1 | 0 | 0 | 0 | 0 | 112 | G6 L7 K13 | G6-S9 PolarHBondContact O-N 3.04Å; L7-S9 PolarHBondContact O-N 3.12Å; S9-K13 WeakPolarHBondContact O-CB 3.49Å; S9-K13 VanDerWaalsContact O-CG 3.26Å; S9-K13 WeakPolarHBondContact O-CG 3.09Å; S9-K13 PolarHBondContact O-N 3.32Å |
| 10 | V | 89.7 | Confident | 77.3 | Confident | 18 Ų | 18 | 80.7 Ų | 80.7 | 11% | 0.109 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | G6 L7 F8 E12 K13 S14 A25 F28 L29 | G6-V10 WeakPolarHBondContact O-CG2 3.36Å; G6-V10 PolarHBondContact O-N 3.35Å; G6-V10 VanDerWaalsContact O-N 3.16Å; L7-V10 PolarHBondContact O-N 2.62Å; F8-V10 VanDerWaalsContact C-N 3.27Å; F8-V10 PolarHBondContact O-N 2.99Å; V10-E12 PolarHBondContact O-N 3.19Å; V10-K13 PolarHBondContact O-N 3.5Å; V10-S14 PolarHBondContact O-N 3.47Å; V10-A25 HydrophobicContact CG1-CB 4.11Å; V10-F28 HydrophobicContact CB-CD1 4.23Å; V10-F28 HydrophobicContact CG1-CB 4.22Å; V10-F28 HydrophobicContact CG1-CD1 3.79Å; V10-F28 HydrophobicContact CG1-CG 4.24Å; V10-F28 HydrophobicContact CG2-CB 4.45Å; V10-F28 HydrophobicContact CG2-CD1 3.7Å; V10-F28 HydrophobicContact CG2-CD2 4.34Å; V10-F28 HydrophobicContact CG2-CE1 3.96Å; V10-F28 HydrophobicContact CG2-CG 3.9Å; V10-F28 HydrophobicContact CG2-CZ 4.39Å; V10-L29 HydrophobicContact CG1-CD1 4.31Å; V10-L29 HydrophobicContact CG1-CD2 4.06Å; V10-L29 HydrophobicContact CG1-CG 3.84Å |
| 11 | L | 91.1 | Very high | 77.9 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 177 | -68.6 | 172.3 | 0 | 0 | 0 | 111.7 | L7 F8 S14 L44 V47 V57 Q60 A61 Q64 | L7-L11 HydrophobicContact CD1-CG 4.33Å; L7-L11 HydrophobicContact CG-CD1 4.12Å; L7-L11 HydrophobicContact CG-CG 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.26Å; L7-L11 PolarHBondContact O-N 3.22Å; F8-L11 PolarHBondContact O-N 3.2Å; L11-S14 PolarHBondContact O-N 2.76Å; L11-S14 PolarHBondContact O-OG 2.81Å; L11-L44 HydrophobicContact CD1-CD2 4.21Å; L11-L44 HydrophobicContact CD2-CD2 3.98Å; L11-V47 HydrophobicContact CD1-CG1 4.02Å; L11-V47 HydrophobicContact CD1-CG2 4.4Å; L11-V57 HydrophobicContact CB-CG1 4.18Å; L11-V57 HydrophobicContact CD1-CG1 4.17Å; L11-Q60 HydrophobicContact CB-CG 4.44Å; L11-Q60 HydrophobicContact CD2-CB 4.45Å; L11-Q60 HydrophobicContact CD2-CG 3.89Å; L11-A61 HydrophobicContact CD1-CB 3.94Å; L11-Q64 HydrophobicContact CD2-CG 4.21Å |
| 12 | E | 88.9 | Confident | 80.2 | Confident | 110 Ų | 110 | 74.1 Ų | 74.1 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 173 | -73.2 | -177.1 | 159.2 | 0 | 0 | 112.1 | F8 V10 S14 L15 V57 | F8-E12 WeakPolarHBondContact O-CG 3.3Å; F8-E12 PolarHBondContact O-N 3.21Å; V10-E12 PolarHBondContact O-N 3.19Å; E12-S14 VanDerWaalsContact C-N 3.27Å; E12-S14 PolarHBondContact O-N 2.76Å; E12-L15 WeakPolarHBondContact O-CB 3.15Å; E12-L15 PolarHBondContact O-N 3.12Å; E12-L15 VanDerWaalsContact O-N 3.09Å; E12-V57 HydrophobicContact CB-CG2 4.45Å; E12-V57 HydrophobicContact CG-CG2 3.26Å |
| 13 | K | 88.2 | Confident | 82.7 | Confident | 94 Ų | 94 | 72.3 Ų | 72.3 | 41% | 0.409 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.7 | -27.5 | 179.2 | -74.8 | 177.8 | -179.8 | -171.7 | 0 | 113.6 | S9 V10 L15 S16 A25 | S9-K13 WeakPolarHBondContact O-CB 3.49Å; S9-K13 VanDerWaalsContact O-CG 3.26Å; S9-K13 WeakPolarHBondContact O-CG 3.09Å; S9-K13 PolarHBondContact O-N 3.32Å; V10-K13 PolarHBondContact O-N 3.5Å; K13-L15 PolarHBondContact O-N 3.29Å; K13-L15 VanDerWaalsContact O-N 3.13Å; K13-S16 WeakPolarHBondContact O-CB 3.14Å; K13-S16 PolarHBondContact O-N 3.45Å; K13-A25 HydrophobicContact CB-CB 3.98Å |
| 14 | S | 87.3 | Confident | 84.6 | Confident | 10 Ų | 10 | 73 Ų | 73 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3.7 | 174.1 | 71.4 | 0 | 0 | 0 | 0 | 114 | V10 L11 E12 Q60 | V10-S14 PolarHBondContact O-N 3.47Å; L11-S14 PolarHBondContact O-N 2.76Å; L11-S14 PolarHBondContact O-OG 2.81Å; E12-S14 VanDerWaalsContact C-N 3.27Å; E12-S14 PolarHBondContact O-N 2.76Å; S14-Q60 WeakPolarHBondContact OG-CG 3.43Å; S14-Q60 PolarHBondContact OG-NE2 3.23Å |
| 15 | L | 85.7 | Confident | 85.9 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 38% | 0.377 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 3.1 | 170.2 | -57.4 | 171.8 | 0 | 0 | 0 | 112.6 | E12 K13 P56 Q60 | E12-L15 WeakPolarHBondContact O-CB 3.15Å; E12-L15 PolarHBondContact O-N 3.12Å; E12-L15 VanDerWaalsContact O-N 3.09Å; K13-L15 PolarHBondContact O-N 3.29Å; K13-L15 VanDerWaalsContact O-N 3.13Å; L15-P56 HydrophobicContact CD1-CB 3.49Å; L15-P56 VanDerWaalsContact CD1-CB 3.49Å; L15-Q60 HydrophobicContact CD2-CB 4.4Å; L15-Q60 HydrophobicContact CD2-CG 4.47Å |
| 16 | S | 87.3 | Confident | 87.3 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | trans | -69 | 142.2 | -179.1 | -168.9 | 0 | 0 | 0 | 0 | 111.4 | K13 E18 E21 | K13-S16 WeakPolarHBondContact O-CB 3.14Å; K13-S16 PolarHBondContact O-N 3.45Å; S16-E18 PolarHBondContact OG-N 2.73Å; S16-E21 WeakPolarHBondContact CB-OE2 3.25Å; S16-E21 PolarHBondContact OG-OE2 3.18Å | ||
| 17 | L | 85.4 | Confident | 87.8 | Confident | 182 Ų | 182 | 66.7 Ų | 66.7 | 95% | 0.953 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -77.5 | -13.4 | 171.1 | -63.9 | 175.5 | 0 | 0 | 0 | 112 | K19 | L17-K19 PolarHBondContact O-N 2.95Š|
| 18 | E | 89.8 | Confident | 88.1 | Confident | 124 Ų | 124 | 71.2 Ų | 71.2 | 58% | 0.579 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -78.6 | 112.6 | 175.3 | -70.8 | -69 | 162.7 | 0 | 0 | 110 | S16 S20 E21 L22 | S16-E18 PolarHBondContact OG-N 2.73Å; E18-S20 PolarHBondContact O-N 2.99Å; E18-S20 VanDerWaalsContact O-N 3.16Å; E18-E21 HydrophobicContact CB-CB 4.31Å; E18-E21 HydrophobicContact CB-CG 4.13Å; E18-E21 PolarHBondContact O-N 3.44Å; E18-L22 PolarHBondContact O-N 2.87Å; E18-L22 VanDerWaalsContact O-N 3.1Å |
| 19 | K | 87.1 | Confident | 88.3 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -53 | -39.9 | -175.8 | -177.8 | 172.1 | 175 | 172.2 | 0 | 113.2 | L17 L22 E23 | L17-K19 PolarHBondContact O-N 2.95Å; K19-L22 PolarHBondContact O-N 3.4Å; K19-E23 WeakPolarHBondContact CE-OE1 3.43Å; K19-E23 HydrophobicContact CG-CG 4.33Å; K19-E23 IonicContact NZ-OE1 2.7Å; K19-E23 WeakPolarHBondContact O-CB 3.44Å; K19-E23 WeakPolarHBondContact O-CG 3.34Å; K19-E23 PolarHBondContact O-N 3.3Å |
| 20 | S | 89.4 | Confident | 88.4 | Confident | 78 Ų | 78 | 71.2 Ų | 71.2 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.3 | -35.5 | -179.2 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | E18 A24 | E18-S20 PolarHBondContact O-N 2.99Å; E18-S20 VanDerWaalsContact O-N 3.16Å; S20-A24 VanDerWaalsContact O-CB 3.28Å; S20-A24 WeakPolarHBondContact O-CB 3.38Å; S20-A24 PolarHBondContact O-N 3.31Å; S20-A24 VanDerWaalsContact O-N 3.11Å |
| 21 | E | 88.6 | Confident | 88.4 | Confident | 81 Ų | 81 | 74 Ų | 74 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73.3 | -39.8 | 176.3 | -66.4 | -166.8 | 147 | 0 | 0 | 111.5 | S16 E18 A24 A25 | S16-E21 WeakPolarHBondContact CB-OE2 3.25Å; S16-E21 PolarHBondContact OG-OE2 3.18Å; E18-E21 HydrophobicContact CB-CB 4.31Å; E18-E21 HydrophobicContact CB-CG 4.13Å; E18-E21 PolarHBondContact O-N 3.44Å; E21-A24 PolarHBondContact O-N 3.17Å; E21-A25 WeakPolarHBondContact O-CB 3.4Å; E21-A25 PolarHBondContact O-N 3.42Å |
| 22 | L | 87.6 | Confident | 88.3 | Confident | 53 Ų | 53 | 75.3 Ų | 75.3 | 28% | 0.277 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 176.6 | -178.3 | 136.2 | 0 | 0 | 0 | 111.3 | E18 K19 A24 A25 Q26 | E18-L22 PolarHBondContact O-N 2.87Å; E18-L22 VanDerWaalsContact O-N 3.1Å; K19-L22 PolarHBondContact O-N 3.4Å; L22-A24 VanDerWaalsContact C-N 3.35Å; L22-A24 PolarHBondContact O-N 3.17Å; L22-A25 PolarHBondContact O-N 3.35Å; L22-Q26 WeakPolarHBondContact O-CB 3.04Å; L22-Q26 WeakPolarHBondContact O-CG 3.26Å; L22-Q26 PolarHBondContact O-N 2.85Å |
| 23 | E | 88.5 | Confident | 88.3 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.2 | -75.3 | 175.3 | 171.8 | 0 | 0 | 111.7 | K19 A25 Q26 H27 | K19-E23 WeakPolarHBondContact CE-OE1 3.43Å; K19-E23 HydrophobicContact CG-CG 4.33Å; K19-E23 IonicContact NZ-OE1 2.7Å; K19-E23 WeakPolarHBondContact O-CB 3.44Å; K19-E23 WeakPolarHBondContact O-CG 3.34Å; K19-E23 PolarHBondContact O-N 3.3Å; E23-A25 PolarHBondContact O-N 2.91Å; E23-Q26 PolarHBondContact O-N 3.38Å; E23-H27 WeakPolarHBondContact O-CB 3.09Å; E23-H27 PolarHBondContact O-N 2.89Å |
| 24 | A | 89.3 | Confident | 88.3 | Confident | 61 Ų | 61 | 74 Ų | 74 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S20 E21 L22 F28 | S20-A24 VanDerWaalsContact O-CB 3.28Å; S20-A24 WeakPolarHBondContact O-CB 3.38Å; S20-A24 PolarHBondContact O-N 3.31Å; S20-A24 VanDerWaalsContact O-N 3.11Å; E21-A24 PolarHBondContact O-N 3.17Å; L22-A24 VanDerWaalsContact C-N 3.35Å; L22-A24 PolarHBondContact O-N 3.17Å; A24-F28 WeakPolarHBondContact O-CB 3.4Å; A24-F28 PolarHBondContact O-N 3.29Å |
| 25 | A | 88.3 | Confident | 88.4 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 3% | 0.033 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V10 K13 E21 L22 E23 F28 L29 | V10-A25 HydrophobicContact CG1-CB 4.11Å; K13-A25 HydrophobicContact CB-CB 3.98Å; E21-A25 WeakPolarHBondContact O-CB 3.4Å; E21-A25 PolarHBondContact O-N 3.42Å; L22-A25 PolarHBondContact O-N 3.35Å; E23-A25 PolarHBondContact O-N 2.91Å; A25-F28 PolarHBondContact O-N 3.3Å; A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.95Å; A25-L29 VanDerWaalsContact O-N 3.11Å |
| 26 | Q | 87.8 | Confident | 88.6 | Confident | 46 Ų | 46 | 80.2 Ų | 80.2 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 175.1 | -74.4 | 174.7 | -33.7 | 0 | 0 | 111.5 | L22 E23 F28 L29 E30 | L22-Q26 WeakPolarHBondContact O-CB 3.04Å; L22-Q26 WeakPolarHBondContact O-CG 3.26Å; L22-Q26 PolarHBondContact O-N 2.85Å; E23-Q26 PolarHBondContact O-N 3.38Å; Q26-F28 VanDerWaalsContact C-N 3.26Å; Q26-F28 PolarHBondContact O-N 2.87Å; Q26-L29 PolarHBondContact O-N 2.96Å; Q26-L29 VanDerWaalsContact O-N 3.07Å; Q26-E30 WeakPolarHBondContact O-CG 3.39Å; Q26-E30 PolarHBondContact O-N 2.7Å |
| 27 | H | 89.2 | Confident | 88.8 | Confident | 114 Ų | 114 | 80 Ų | 80 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.9 | -39.1 | 176.7 | -176.1 | -73 | 0 | 0 | 0 | 111.9 | E23 E30 E31 | E23-H27 WeakPolarHBondContact O-CB 3.09Å; E23-H27 PolarHBondContact O-N 2.89Å; H27-E30 PolarHBondContact O-N 3.14Å; H27-E31 VanDerWaalsContact CE1-CG 3.47Å; H27-E31 WeakPolarHBondContact CE1-CG 3.15Å; H27-E31 WeakPolarHBondContact O-CG 3.38Å; H27-E31 PolarHBondContact O-N 2.98Å |
| 28 | F | 90.7 | Very high | 89.1 | Confident | 104 Ų | 104 | 73.4 Ų | 73.4 | 46% | 0.456 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.1 | -177.2 | -81 | 0 | 0 | 0 | 112 | V10 A24 A25 Q26 E30 E31 A32 | V10-F28 HydrophobicContact CB-CD1 4.23Å; V10-F28 HydrophobicContact CG1-CB 4.22Å; V10-F28 HydrophobicContact CG1-CD1 3.79Å; V10-F28 HydrophobicContact CG1-CG 4.24Å; V10-F28 HydrophobicContact CG2-CB 4.45Å; V10-F28 HydrophobicContact CG2-CD1 3.7Å; V10-F28 HydrophobicContact CG2-CD2 4.34Å; V10-F28 HydrophobicContact CG2-CE1 3.96Å; V10-F28 HydrophobicContact CG2-CG 3.9Å; V10-F28 HydrophobicContact CG2-CZ 4.39Å; A24-F28 WeakPolarHBondContact O-CB 3.4Å; A24-F28 PolarHBondContact O-N 3.29Å; A25-F28 PolarHBondContact O-N 3.3Å; Q26-F28 VanDerWaalsContact C-N 3.26Å; Q26-F28 PolarHBondContact O-N 2.87Å; F28-E30 VanDerWaalsContact C-N 3.35Å; F28-E31 PolarHBondContact O-N 3.23Å; F28-A32 HydrophobicContact CE1-CB 4.49Å; F28-A32 VanDerWaalsContact O-CB 3.3Å; F28-A32 WeakPolarHBondContact O-CB 3.28Å; F28-A32 PolarHBondContact O-N 3.08Å |
| 29 | L | 89.5 | Confident | 89.2 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 179.7 | -68.7 | 168.5 | 0 | 0 | 0 | 111.6 | L7 V10 A25 Q26 A32 A33 L40 Q64 | L7-L29 HydrophobicContact CD1-CD2 4.01Å; V10-L29 HydrophobicContact CG1-CD1 4.31Å; V10-L29 HydrophobicContact CG1-CD2 4.06Å; V10-L29 HydrophobicContact CG1-CG 3.84Å; A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.95Å; A25-L29 VanDerWaalsContact O-N 3.11Å; Q26-L29 PolarHBondContact O-N 2.96Å; Q26-L29 VanDerWaalsContact O-N 3.07Å; L29-A32 PolarHBondContact O-N 3.01Å; L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 3.45Å; L29-L40 HydrophobicContact CD2-CD1 4.49Å; L29-Q64 HydrophobicContact CD1-CG 3.97Å |
| 30 | E | 87.3 | Confident | 89.5 | Confident | 89 Ų | 89 | 62.8 Ų | 62.8 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 175.6 | -73.3 | 176.9 | -171.3 | 0 | 0 | 112.4 | Q26 H27 F28 A33 K34 | Q26-E30 WeakPolarHBondContact O-CG 3.39Å; Q26-E30 PolarHBondContact O-N 2.7Å; H27-E30 PolarHBondContact O-N 3.14Å; F28-E30 VanDerWaalsContact C-N 3.35Å; E30-A33 PolarHBondContact O-N 3.35Å; E30-K34 WeakPolarHBondContact O-CG 3.47Å; E30-K34 PolarHBondContact O-N 3.46Å |
| 31 | E | 89.1 | Confident | 89.7 | Confident | 77 Ų | 77 | 59.2 Ų | 59.2 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.9 | -71.8 | -59 | 119.2 | 0 | 0 | 111.6 | H27 F28 A33 K34 V35 | H27-E31 VanDerWaalsContact CE1-CG 3.47Å; H27-E31 WeakPolarHBondContact CE1-CG 3.15Å; H27-E31 WeakPolarHBondContact O-CG 3.38Å; H27-E31 PolarHBondContact O-N 2.98Å; F28-E31 PolarHBondContact O-N 3.23Å; E31-A33 VanDerWaalsContact C-N 3.31Å; E31-A33 PolarHBondContact O-N 2.88Å; E31-K34 PolarHBondContact O-N 2.86Å; E31-K34 WeakPolarHBondContact OE1-CD 3.49Å; E31-K34 IonicContact OE1-NZ 3.95Å; E31-K34 PolarHBondContact OE1-NZ 3.14Å; E31-V35 WeakPolarHBondContact O-CG2 3.18Å; E31-V35 PolarHBondContact O-N 3.15Å; E31-V35 VanDerWaalsContact O-N 3.1Å |
| 32 | A | 89.1 | Confident | 90 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F28 L29 V35 D36 L40 | F28-A32 HydrophobicContact CE1-CB 4.49Å; F28-A32 VanDerWaalsContact O-CB 3.3Å; F28-A32 WeakPolarHBondContact O-CB 3.28Å; F28-A32 PolarHBondContact O-N 3.08Å; L29-A32 PolarHBondContact O-N 3.01Å; A32-V35 PolarHBondContact O-N 3.01Å; A32-D36 PolarHBondContact O-N 2.93Å; A32-L40 HydrophobicContact CB-CD1 4.35Å; A32-L40 HydrophobicContact CB-CD2 4.1Å |
| 33 | A | 88.9 | Confident | 90.3 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66 | -35.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L29 E30 E31 L37 L40 | L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 3.45Å; E30-A33 PolarHBondContact O-N 3.35Å; E31-A33 VanDerWaalsContact C-N 3.31Å; E31-A33 PolarHBondContact O-N 2.88Å; A33-L37 HydrophobicContact CB-CD1 3.97Å; A33-L37 WeakPolarHBondContact O-CA 3.49Å; A33-L37 WeakPolarHBondContact O-CB 3.5Å; A33-L37 PolarHBondContact O-N 2.99Å; A33-L40 HydrophobicContact CB-CD2 3.9Å |
| 34 | K | 88.5 | Confident | 90.7 | Very high | 143 Ų | 143 | 57.1 Ų | 57.1 | 62% | 0.622 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.9 | -35.3 | 174.7 | -71.5 | 171.6 | -166.4 | 167 | 0 | 112.4 | E30 E31 | E30-K34 WeakPolarHBondContact O-CG 3.47Å; E30-K34 PolarHBondContact O-N 3.46Å; E31-K34 PolarHBondContact O-N 2.86Å; E31-K34 WeakPolarHBondContact OE1-CD 3.49Å; E31-K34 IonicContact OE1-NZ 3.95Å; E31-K34 PolarHBondContact OE1-NZ 3.14Å |
| 35 | V | 89.6 | Confident | 91 | Very high | 124 Ų | 124 | 54.2 Ų | 54.2 | 75% | 0.752 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -76.7 | -54.4 | -178.8 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | E31 A32 | E31-V35 WeakPolarHBondContact O-CG2 3.18Å; E31-V35 PolarHBondContact O-N 3.15Å; E31-V35 VanDerWaalsContact O-N 3.1Å; A32-V35 PolarHBondContact O-N 3.01Å |
| 36 | D | 90.6 | Very high | 91.4 | Very high | 89 Ų | 89 | 55.3 Ų | 55.3 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -152 | 84.4 | 179.3 | -179.1 | 9.7 | 0 | 0 | 0 | 110.6 | A32 F38 G39 L40 | A32-D36 PolarHBondContact O-N 2.93Å; D36-F38 VanDerWaalsContact C-N 3.34Å; D36-F38 PolarHBondContact O-N 3.22Å; D36-F38 PolarHBondContact OD1-N 2.91Å; D36-G39 PolarHBondContact O-N 3.19Å; D36-G39 PolarHBondContact OD1-N 3Å; D36-G39 WeakPolarHBondContact OD2-CA 3.43Å; D36-L40 WeakPolarHBondContact O-CB 3.29Å; D36-L40 PolarHBondContact O-N 3.26Å |
| 37 | L | 91.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.6 | -47.4 | 178.7 | 179.2 | 63.4 | 0 | 0 | 0 | 112.3 | A33 L40 L41 A68 R83 | A33-L37 HydrophobicContact CB-CD1 3.97Å; A33-L37 WeakPolarHBondContact O-CA 3.49Å; A33-L37 WeakPolarHBondContact O-CB 3.5Å; A33-L37 PolarHBondContact O-N 2.99Å; L37-L40 WeakPolarHBondContact O-CB 3.39Å; L37-L40 PolarHBondContact O-N 2.9Å; L37-L41 HydrophobicContact CD1-CD1 4.17Å; L37-L41 HydrophobicContact CD1-CG 4.15Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 HydrophobicContact CG-CG 4.33Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.42Å; L37-L41 PolarHBondContact O-N 3.24Å; L37-A68 HydrophobicContact CD1-CB 4.28Å; L37-R83 HydrophobicContact CD2-CG 4.1Å; L37-R83 VanDerWaalsContact CD2-CZ 3.5Å; L37-R83 VanDerWaalsContact CD2-NE 3.26Å |
| 38 | F | 91.8 | Very high | 92 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 20% | 0.197 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.9 | -33.8 | -173.5 | -59 | -59.4 | 0 | 0 | 0 | 112.2 | D36 L41 R42 R83 A87 | D36-F38 VanDerWaalsContact C-N 3.34Å; D36-F38 PolarHBondContact O-N 3.22Å; D36-F38 PolarHBondContact OD1-N 2.91Å; F38-L41 HydrophobicContact CD1-CD1 4.18Å; F38-L41 PolarHBondContact O-N 3.24Å; F38-R42 WeakPolarHBondContact O-CB 3.41Å; F38-R42 PolarHBondContact O-N 3.04Å; F38-R83 HydrophobicContact CZ-CG 4.48Å; F38-R83 WeakPolarHBondContact CZ-O 3.47Å; F38-A87 HydrophobicContact CD1-CB 3.55Å; F38-A87 HydrophobicContact CD2-CB 4.23Å; F38-A87 HydrophobicContact CE1-CB 3.16Å; F38-A87 HydrophobicContact CE2-CB 3.87Å; F38-A87 HydrophobicContact CG-CB 4.09Å; F38-A87 HydrophobicContact CZ-CB 3.33Å |
| 39 | G | 91.7 | Very high | 92.2 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 19% | 0.186 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D36 R42 Q43 | D36-G39 PolarHBondContact O-N 3.19Å; D36-G39 PolarHBondContact OD1-N 3Å; D36-G39 WeakPolarHBondContact OD2-CA 3.43Å; G39-R42 WeakPolarHBondContact O-CB 3.38Å; G39-R42 PolarHBondContact O-N 2.98Å; G39-Q43 WeakPolarHBondContact O-CG 3.19Å; G39-Q43 PolarHBondContact O-N 3.05Å; G39-Q43 VanDerWaalsContact O-N 3.07Å |
| 40 | L | 92.6 | Very high | 92.4 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 175.3 | 177.7 | 63.6 | 0 | 0 | 0 | 111.6 | L7 L29 A32 A33 D36 L37 R42 Q43 L44 | L7-L40 HydrophobicContact CD1-CD1 4.07Å; L29-L40 HydrophobicContact CD2-CD1 4.49Å; A32-L40 HydrophobicContact CB-CD1 4.35Å; A32-L40 HydrophobicContact CB-CD2 4.1Å; A33-L40 HydrophobicContact CB-CD2 3.9Å; D36-L40 WeakPolarHBondContact O-CB 3.29Å; D36-L40 PolarHBondContact O-N 3.26Å; L37-L40 WeakPolarHBondContact O-CB 3.39Å; L37-L40 PolarHBondContact O-N 2.9Å; L40-R42 VanDerWaalsContact C-N 3.26Å; L40-R42 PolarHBondContact O-N 2.95Å; L40-Q43 PolarHBondContact O-N 3.1Å; L40-Q43 VanDerWaalsContact O-N 3.1Å; L40-L44 HydrophobicContact CD1-CD1 4.32Å; L40-L44 HydrophobicContact CD1-CG 4.23Å; L40-L44 HydrophobicContact CG-CD1 3.98Å; L40-L44 HydrophobicContact CG-CG 4.33Å; L40-L44 WeakPolarHBondContact O-CG 3.13Å; L40-L44 PolarHBondContact O-N 3.4Å |
| 41 | L | 94.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -36.4 | 179 | -66.9 | 174.6 | 0 | 0 | 0 | 112.3 | L37 F38 L44 S45 L65 A68 W84 I95 | L37-L41 HydrophobicContact CD1-CD1 4.17Å; L37-L41 HydrophobicContact CD1-CG 4.15Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 HydrophobicContact CG-CG 4.33Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.42Å; L37-L41 PolarHBondContact O-N 3.24Å; F38-L41 HydrophobicContact CD1-CD1 4.18Å; F38-L41 PolarHBondContact O-N 3.24Å; L41-L44 HydrophobicContact CD2-CD1 4.31Å; L41-L44 PolarHBondContact O-N 3.06Å; L41-S45 WeakPolarHBondContact O-CB 3.49Å; L41-S45 PolarHBondContact O-N 2.88Å; L41-L65 HydrophobicContact CD2-CB 4.48Å; L41-L65 HydrophobicContact CD2-CG 4.09Å; L41-A68 HydrophobicContact CD1-CB 4.49Å; L41-A68 HydrophobicContact CD2-CB 3.56Å; L41-W84 HydrophobicContact CD1-CZ3 4.4Å; L41-I95 HydrophobicContact CB-CD1 3.73Å |
| 42 | R | 94.8 | Very high | 92.8 | Very high | 101 Ų | 101 | 51 Ų | 51 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 173.3 | -175.6 | 169.4 | -177.6 | 163.2 | 1.7 | 111.6 | F38 G39 L40 S45 D46 Y94 | F38-R42 WeakPolarHBondContact O-CB 3.41Å; F38-R42 PolarHBondContact O-N 3.04Å; G39-R42 WeakPolarHBondContact O-CB 3.38Å; G39-R42 PolarHBondContact O-N 2.98Å; L40-R42 VanDerWaalsContact C-N 3.26Å; L40-R42 PolarHBondContact O-N 2.95Å; R42-S45 PolarHBondContact O-N 3.45Å; R42-S45 PolarHBondContact O-OG 2.91Å; R42-D46 PolarHBondContact O-N 3.08Å; R42-Y94 HydrophobicContact CG-CD1 3.55Å; R42-Y94 HydrophobicContact CG-CE1 3.52Å; R42-Y94 VanDerWaalsContact NH2-CE2 3.32Å |
| 43 | Q | 93.7 | Very high | 92.9 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 177 | -65.7 | 177.4 | 16.3 | 0 | 0 | 112.1 | L7 G39 L40 S45 D46 V47 | L7-Q43 HydrophobicContact CD2-CB 3.59Å; G39-Q43 WeakPolarHBondContact O-CG 3.19Å; G39-Q43 PolarHBondContact O-N 3.05Å; G39-Q43 VanDerWaalsContact O-N 3.07Å; L40-Q43 PolarHBondContact O-N 3.1Å; L40-Q43 VanDerWaalsContact O-N 3.1Å; Q43-S45 VanDerWaalsContact C-N 3.3Å; Q43-S45 PolarHBondContact O-N 2.74Å; Q43-D46 WeakPolarHBondContact O-CB 3.31Å; Q43-D46 PolarHBondContact O-N 2.88Å; Q43-D46 VanDerWaalsContact O-N 3.16Å; Q43-V47 WeakPolarHBondContact O-CG2 3.31Å; Q43-V47 PolarHBondContact O-N 3.31Å |
| 44 | L | 95.6 | Very high | 93 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 174.7 | -67.9 | 171.5 | 0 | 0 | 0 | 111.2 | L7 L11 L40 L41 D46 V47 L48 A61 Q64 L65 | L7-L44 HydrophobicContact CD1-CD2 4.37Å; L7-L44 HydrophobicContact CD2-CD2 4.28Å; L11-L44 HydrophobicContact CD1-CD2 4.21Å; L11-L44 HydrophobicContact CD2-CD2 3.98Å; L40-L44 HydrophobicContact CD1-CD1 4.32Å; L40-L44 HydrophobicContact CD1-CG 4.23Å; L40-L44 HydrophobicContact CG-CD1 3.98Å; L40-L44 HydrophobicContact CG-CG 4.33Å; L40-L44 WeakPolarHBondContact O-CG 3.13Å; L40-L44 PolarHBondContact O-N 3.4Å; L41-L44 HydrophobicContact CD2-CD1 4.31Å; L41-L44 PolarHBondContact O-N 3.06Å; L44-D46 VanDerWaalsContact C-N 3.34Å; L44-D46 PolarHBondContact O-N 3.36Å; L44-V47 PolarHBondContact O-N 2.81Å; L44-L48 WeakPolarHBondContact O-CB 3.32Å; L44-L48 PolarHBondContact O-N 2.74Å; L44-A61 HydrophobicContact CD2-CB 4.19Å; L44-Q64 HydrophobicContact CD1-CB 3.87Å; L44-Q64 HydrophobicContact CD2-CB 4.23Å; L44-L65 HydrophobicContact CB-CB 4.44Å; L44-L65 HydrophobicContact CB-CD1 4.38Å |
| 45 | S | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -34.4 | 175.7 | 81.6 | 0 | 0 | 0 | 0 | 113.1 | L41 R42 Q43 L48 V49 N98 | L41-S45 WeakPolarHBondContact O-CB 3.49Å; L41-S45 PolarHBondContact O-N 2.88Å; R42-S45 PolarHBondContact O-N 3.45Å; R42-S45 PolarHBondContact O-OG 2.91Å; Q43-S45 VanDerWaalsContact C-N 3.3Å; Q43-S45 PolarHBondContact O-N 2.74Å; S45-L48 PolarHBondContact O-N 3Å; S45-V49 WeakPolarHBondContact O-CG1 3.43Å; S45-V49 PolarHBondContact O-N 3.04Å; S45-V49 VanDerWaalsContact O-N 3.15Å; S45-N98 PolarHBondContact OG-ND2 2.83Å |
| 46 | D | 95.9 | Very high | 93.1 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 15% | 0.15 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | 175.2 | -71.8 | -31.5 | 0 | 0 | 0 | 111.3 | L3 R42 Q43 L44 N50 Y94 N98 | L3-D46 HydrophobicContact CD2-CB 4.25Å; R42-D46 PolarHBondContact O-N 3.08Å; Q43-D46 WeakPolarHBondContact O-CB 3.31Å; Q43-D46 PolarHBondContact O-N 2.88Å; Q43-D46 VanDerWaalsContact O-N 3.16Å; L44-D46 VanDerWaalsContact C-N 3.34Å; L44-D46 PolarHBondContact O-N 3.36Å; D46-N50 VanDerWaalsContact O-CB 3.27Å; D46-N50 WeakPolarHBondContact O-CB 3.46Å; D46-N50 PolarHBondContact O-N 3.09Å; D46-Y94 VanDerWaalsContact OD1-CE1 3.24Å; D46-Y94 WeakPolarHBondContact OD1-CE1 3.49Å; D46-Y94 PolarHBondContact OD1-OH 3.47Å; D46-N98 PolarHBondContact OD1-ND2 3.39Å |
| 47 | V | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 173.3 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | L3 L7 F8 L11 Q43 L44 V49 N50 V57 A61 | L3-V47 HydrophobicContact CD2-CG2 3.82Å; L7-V47 HydrophobicContact CD2-CG2 4.3Å; F8-V47 HydrophobicContact CD1-CG1 4.34Å; F8-V47 HydrophobicContact CD1-CG2 4.16Å; F8-V47 HydrophobicContact CE1-CB 4.3Å; F8-V47 HydrophobicContact CE1-CG1 3.9Å; F8-V47 HydrophobicContact CE1-CG2 3.63Å; F8-V47 HydrophobicContact CZ-CG2 4.19Å; L11-V47 HydrophobicContact CD1-CG1 4.02Å; L11-V47 HydrophobicContact CD1-CG2 4.4Å; Q43-V47 WeakPolarHBondContact O-CG2 3.31Å; Q43-V47 PolarHBondContact O-N 3.31Å; L44-V47 PolarHBondContact O-N 2.81Å; V47-V49 PolarHBondContact O-N 2.99Å; V47-N50 PolarHBondContact O-N 3.24Å; V47-V57 HydrophobicContact CG1-CG1 3.8Å; V47-A61 HydrophobicContact CB-CB 3.9Å; V47-A61 HydrophobicContact CG1-CB 3.66Å |
| 48 | L | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | -178.5 | 176.8 | 61.8 | 0 | 0 | 0 | 112.4 | L44 S45 R58 A102 A113 | L44-L48 WeakPolarHBondContact O-CB 3.32Å; L44-L48 PolarHBondContact O-N 2.74Å; S45-L48 PolarHBondContact O-N 3Å; L48-R58 VanDerWaalsContact O-CZ 3.29Å; L48-R58 PolarHBondContact O-NE 3.04Å; L48-R58 PolarHBondContact O-NH2 3.48Å; L48-A102 HydrophobicContact CD2-CB 4.43Å; L48-A102 HydrophobicContact CG-CB 3.99Å; L48-A113 HydrophobicContact CD2-CB 4.23Å |
| 49 | V | 95.6 | Very high | 93.4 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -79.2 | -19.5 | -178.6 | 73.7 | 0 | 0 | 0 | 0 | 113.3 | S45 V47 V51 N98 A101 A102 | S45-V49 WeakPolarHBondContact O-CG1 3.43Å; S45-V49 PolarHBondContact O-N 3.04Å; S45-V49 VanDerWaalsContact O-N 3.15Å; V47-V49 PolarHBondContact O-N 2.99Å; V49-V51 PolarHBondContact O-N 2.92Å; V49-N98 HydrophobicContact CB-CB 4.43Å; V49-N98 HydrophobicContact CG1-CB 4.35Å; V49-A101 HydrophobicContact CG2-CB 3.82Å; V49-A102 HydrophobicContact CB-CB 4.33Å; V49-A102 HydrophobicContact CG2-CB 4.4Å |
| 50 | N | 94.2 | Very high | 93.4 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | trans | -78.3 | 105.5 | -175.9 | -174.9 | 1.9 | 0 | 0 | 0 | 112.4 | D46 V47 E52 C53 R58 | D46-N50 VanDerWaalsContact O-CB 3.27Å; D46-N50 WeakPolarHBondContact O-CB 3.46Å; D46-N50 PolarHBondContact O-N 3.09Å; V47-N50 PolarHBondContact O-N 3.24Å; N50-E52 PolarHBondContact O-N 3.41Å; N50-E52 WeakPolarHBondContact OD1-CB 3.35Å; N50-E52 PolarHBondContact OD1-N 3.07Å; N50-C53 PolarHBondContact ND2-SG 3.43Å; N50-C53 VanDerWaalsContact ND2-SG 3.41Å; N50-C53 WeakPolarHBondContact O-CB 3.49Å; N50-C53 PolarHBondContact O-N 3.39Å; N50-C53 VanDerWaalsContact O-N 3.11Å; N50-R58 WeakPolarHBondContact O-CD 3.37Å; N50-R58 PolarHBondContact O-NE 3.1Å | ||
| 51 | V | 92.6 | Very high | 93.5 | Very high | 97 Ų | 97 | 39.7 Ų | 39.7 | 59% | 0.588 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.2 | 178.6 | -62.8 | 0 | 0 | 0 | 0 | 114.8 | V49 C53 T105 | V49-V51 PolarHBondContact O-N 2.92Å; V51-C53 VanDerWaalsContact C-N 3.27Å; V51-T105 HydrophobicContact CG1-CG2 4.38Å |
| 52 | E | 91.8 | Very high | 93.5 | Very high | 176 Ų | 176 | 39.6 Ų | 39.6 | 82% | 0.822 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -16.5 | 174.4 | -58.7 | -177.3 | 160.6 | 0 | 0 | 112.4 | N50 | N50-E52 PolarHBondContact O-N 3.41Å; N50-E52 WeakPolarHBondContact OD1-CB 3.35Å; N50-E52 PolarHBondContact OD1-N 3.07Å |
| 53 | C | 90.4 | Very high | 93.4 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -78.7 | 149.2 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | F8 N50 V51 R58 | F8-C53 HydrophobicContact CE1-CB 4.33Å; F8-C53 WeakPolarHBondContact CE1-SG 3.48Å; F8-C53 VanDerWaalsContact CZ-SG 3.54Å; N50-C53 PolarHBondContact ND2-SG 3.43Å; N50-C53 VanDerWaalsContact ND2-SG 3.41Å; N50-C53 WeakPolarHBondContact O-CB 3.49Å; N50-C53 PolarHBondContact O-N 3.39Å; N50-C53 VanDerWaalsContact O-N 3.11Å; V51-C53 VanDerWaalsContact C-N 3.27Å; C53-R58 HydrophobicContact CB-CG 3.64Å; C53-R58 WeakPolarHBondContact O-CD 3.5Å |
| 54 | S | 90.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | trans | -64.2 | 145 | 179 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | P56 V57 R58 | S54-P56 VanDerWaalsContact C-CD 3.47Å; S54-V57 PolarHBondContact O-N 2.89Å; S54-V57 VanDerWaalsContact O-N 3.13Å; S54-V57 WeakPolarHBondContact OG-CB 3.42Å; S54-V57 WeakPolarHBondContact OG-CG2 3.47Å; S54-R58 WeakPolarHBondContact O-CG 3.46Å; S54-R58 PolarHBondContact O-N 3.16Å; S54-R58 VanDerWaalsContact O-N 3.1Å | ||
| 55 | P | 90.7 | Very high | 93.4 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -53.9 | -42 | -178.8 | -25.1 | 32.6 | 0 | 0 | 0 | 114.9 | V57 R58 M59 T107 T108 | P55-V57 VanDerWaalsContact C-N 3.34Å; P55-V57 PolarHBondContact O-N 2.98Å; P55-R58 PolarHBondContact O-N 3.48Å; P55-M59 WeakPolarHBondContact O-CB 3.2Å; P55-M59 PolarHBondContact O-N 3.4Å; P55-T107 WeakPolarHBondContact CG-OG1 3.46Å; P55-T108 HydrophobicContact CB-CG2 4.4Å |
| 56 | P | 91.1 | Very high | 93.2 | Very high | 62 Ų | 62 | 37.3 Ų | 37.3 | 40% | 0.403 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 177.6 | -22.1 | 34.1 | 0 | 0 | 0 | 113.3 | L15 S54 M59 Q60 | L15-P56 HydrophobicContact CD1-CB 3.49Å; L15-P56 VanDerWaalsContact CD1-CB 3.49Å; S54-P56 VanDerWaalsContact C-CD 3.47Å; P56-M59 PolarHBondContact O-N 2.96Å; P56-Q60 WeakPolarHBondContact O-CB 3.28Å; P56-Q60 PolarHBondContact O-N 2.82Å |
| 57 | V | 92.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -41.6 | 178.7 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | F8 L11 E12 V47 S54 P55 Q60 A61 | F8-V57 HydrophobicContact CD1-CG1 3.92Å; F8-V57 HydrophobicContact CE1-CG1 4.45Å; L11-V57 HydrophobicContact CB-CG1 4.18Å; L11-V57 HydrophobicContact CD1-CG1 4.17Å; E12-V57 HydrophobicContact CB-CG2 4.45Å; E12-V57 HydrophobicContact CG-CG2 3.26Å; V47-V57 HydrophobicContact CG1-CG1 3.8Å; S54-V57 PolarHBondContact O-N 2.89Å; S54-V57 VanDerWaalsContact O-N 3.13Å; S54-V57 WeakPolarHBondContact OG-CB 3.42Å; S54-V57 WeakPolarHBondContact OG-CG2 3.47Å; P55-V57 VanDerWaalsContact C-N 3.34Å; P55-V57 PolarHBondContact O-N 2.98Å; V57-Q60 PolarHBondContact O-N 3.09Å; V57-A61 WeakPolarHBondContact O-CB 3.39Å; V57-A61 PolarHBondContact O-N 3.48Å |
| 58 | R | 94.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 4% | 0.038 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 175.1 | -64.2 | 179.1 | 63.7 | -154.8 | -6.2 | 111.6 | L48 N50 C53 S54 P55 Q60 A61 G62 T105 | L48-R58 VanDerWaalsContact O-CZ 3.29Å; L48-R58 PolarHBondContact O-NE 3.04Å; L48-R58 PolarHBondContact O-NH2 3.48Å; N50-R58 WeakPolarHBondContact O-CD 3.37Å; N50-R58 PolarHBondContact O-NE 3.1Å; C53-R58 HydrophobicContact CB-CG 3.64Å; C53-R58 WeakPolarHBondContact O-CD 3.5Å; S54-R58 WeakPolarHBondContact O-CG 3.46Å; S54-R58 PolarHBondContact O-N 3.16Å; S54-R58 VanDerWaalsContact O-N 3.1Å; P55-R58 PolarHBondContact O-N 3.48Å; R58-Q60 VanDerWaalsContact C-N 3.33Å; R58-Q60 PolarHBondContact O-N 2.8Å; R58-A61 WeakPolarHBondContact O-CB 3.48Å; R58-A61 PolarHBondContact O-N 3.08Å; R58-G62 PolarHBondContact O-N 2.95Å; R58-T105 PolarHBondContact NH1-O 2.78Å; R58-T105 PolarHBondContact NH2-OG1 3.5Å |
| 59 | M | 93 | Very high | 92.7 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.4 | -48.4 | 175.6 | -178 | -178.1 | 78.2 | 0 | 0 | 110.8 | P55 P56 A61 G62 I63 T108 S112 | P55-M59 WeakPolarHBondContact O-CB 3.2Å; P55-M59 PolarHBondContact O-N 3.4Å; P56-M59 PolarHBondContact O-N 2.96Å; M59-A61 PolarHBondContact O-N 3.08Å; M59-G62 PolarHBondContact O-N 2.9Å; M59-I63 HydrophobicContact CE-CD1 4.5Å; M59-I63 HydrophobicContact CG-CD1 3.97Å; M59-I63 WeakPolarHBondContact O-CG1 3.4Å; M59-I63 PolarHBondContact O-N 2.82Å; M59-T108 HydrophobicContact SD-CG2 4.44Å; M59-S112 WeakPolarHBondContact CA-OG 3.41Å; M59-S112 WeakPolarHBondContact CG-OG 3.37Å |
| 60 | Q | 92.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 41 Ų | 41 | 9% | 0.089 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 179.6 | -172.8 | 62.5 | -1.1 | 0 | 0 | 112.6 | L11 S14 L15 P56 V57 R58 G62 I63 Q64 | L11-Q60 HydrophobicContact CB-CG 4.44Å; L11-Q60 HydrophobicContact CD2-CB 4.45Å; L11-Q60 HydrophobicContact CD2-CG 3.89Å; S14-Q60 WeakPolarHBondContact OG-CG 3.43Å; S14-Q60 PolarHBondContact OG-NE2 3.23Å; L15-Q60 HydrophobicContact CD2-CB 4.4Å; L15-Q60 HydrophobicContact CD2-CG 4.47Å; P56-Q60 WeakPolarHBondContact O-CB 3.28Å; P56-Q60 PolarHBondContact O-N 2.82Å; V57-Q60 PolarHBondContact O-N 3.09Å; R58-Q60 VanDerWaalsContact C-N 3.33Å; R58-Q60 PolarHBondContact O-N 2.8Å; Q60-G62 VanDerWaalsContact C-N 3.31Å; Q60-G62 PolarHBondContact O-N 3.28Å; Q60-I63 PolarHBondContact O-N 3.47Å; Q60-Q64 VanDerWaalsContact NE2-NE2 3.16Å; Q60-Q64 WeakPolarHBondContact O-CG 3.41Å; Q60-Q64 PolarHBondContact O-N 2.91Å |
| 61 | A | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L11 L44 V47 V57 R58 M59 L65 | L11-A61 HydrophobicContact CD1-CB 3.94Å; L44-A61 HydrophobicContact CD2-CB 4.19Å; V47-A61 HydrophobicContact CB-CB 3.9Å; V47-A61 HydrophobicContact CG1-CB 3.66Å; V57-A61 WeakPolarHBondContact O-CB 3.39Å; V57-A61 PolarHBondContact O-N 3.48Å; R58-A61 WeakPolarHBondContact O-CB 3.48Å; R58-A61 PolarHBondContact O-N 3.08Å; M59-A61 PolarHBondContact O-N 3.08Å; A61-L65 WeakPolarHBondContact O-CB 3.33Å; A61-L65 PolarHBondContact O-N 3.12Å |
| 62 | G | 95.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R58 M59 Q60 L65 K66 C116 | R58-G62 PolarHBondContact O-N 2.95Å; M59-G62 PolarHBondContact O-N 2.9Å; Q60-G62 VanDerWaalsContact C-N 3.31Å; Q60-G62 PolarHBondContact O-N 3.28Å; G62-L65 PolarHBondContact O-N 3.22Å; G62-K66 WeakPolarHBondContact O-CB 3.49Å; G62-K66 PolarHBondContact O-N 2.96Å; G62-C116 PolarHBondContact O-SG 3Å |
| 63 | I | 92.4 | Very high | 91.3 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 22% | 0.221 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 175.9 | -69.1 | 167.7 | 0 | 0 | 0 | 111.2 | M59 Q60 L65 K66 N67 | M59-I63 HydrophobicContact CE-CD1 4.5Å; M59-I63 HydrophobicContact CG-CD1 3.97Å; M59-I63 WeakPolarHBondContact O-CG1 3.4Å; M59-I63 PolarHBondContact O-N 2.82Å; Q60-I63 PolarHBondContact O-N 3.47Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 3.31Å; I63-K66 WeakPolarHBondContact O-CB 3.24Å; I63-K66 PolarHBondContact O-N 3.35Å; I63-N67 WeakPolarHBondContact O-CB 3.39Å; I63-N67 VanDerWaalsContact O-CG 3.22Å; I63-N67 PolarHBondContact O-N 3.21Å; I63-N67 PolarHBondContact O-OD1 2.95Å |
| 64 | Q | 93.3 | Very high | 90.9 | Very high | 42 Ų | 42 | 44 Ų | 44 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 177.4 | -66.7 | -60.3 | -29.2 | 0 | 0 | 111.5 | L11 L29 L44 Q60 N67 A68 | L11-Q64 HydrophobicContact CD2-CG 4.21Å; L29-Q64 HydrophobicContact CD1-CG 3.97Å; L44-Q64 HydrophobicContact CD1-CB 3.87Å; L44-Q64 HydrophobicContact CD2-CB 4.23Å; Q60-Q64 VanDerWaalsContact NE2-NE2 3.16Å; Q60-Q64 WeakPolarHBondContact O-CG 3.41Å; Q60-Q64 PolarHBondContact O-N 2.91Å; Q64-N67 PolarHBondContact O-N 2.91Å; Q64-A68 PolarHBondContact O-N 2.72Å |
| 65 | L | 94.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.1 | -166.5 | 155.6 | 0 | 0 | 0 | 111 | L41 L44 A61 G62 I63 A68 L69 I95 C116 | L41-L65 HydrophobicContact CD2-CB 4.48Å; L41-L65 HydrophobicContact CD2-CG 4.09Å; L44-L65 HydrophobicContact CB-CB 4.44Å; L44-L65 HydrophobicContact CB-CD1 4.38Å; A61-L65 WeakPolarHBondContact O-CB 3.33Å; A61-L65 PolarHBondContact O-N 3.12Å; G62-L65 PolarHBondContact O-N 3.22Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 3.31Å; L65-A68 PolarHBondContact O-N 3.21Å; L65-L69 HydrophobicContact CD2-CD1 3.64Å; L65-L69 WeakPolarHBondContact O-CG 3.23Å; L65-I95 HydrophobicContact CD1-CG2 4.11Å; L65-C116 HydrophobicContact CD2-CB 3.84Å |
| 66 | K | 94 | Very high | 90.4 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -51.9 | 173.5 | 169.4 | -176.6 | 75.8 | 178.8 | 0 | 111.8 | G62 I63 A68 L69 Y70 Q115 Y119 | G62-K66 WeakPolarHBondContact O-CB 3.49Å; G62-K66 PolarHBondContact O-N 2.96Å; I63-K66 WeakPolarHBondContact O-CB 3.24Å; I63-K66 PolarHBondContact O-N 3.35Å; K66-A68 PolarHBondContact O-N 2.97Å; K66-A68 VanDerWaalsContact O-N 3.14Å; K66-L69 WeakPolarHBondContact O-CA 3.35Å; K66-L69 PolarHBondContact O-N 2.77Å; K66-Y70 PolarHBondContact O-N 3.5Å; K66-Q115 HydrophobicContact CD-CB 4.25Å; K66-Y119 HydrophobicContact CB-CD2 4.29Å; K66-Y119 HydrophobicContact CD-CD2 3.61Å; K66-Y119 HydrophobicContact CD-CE2 3.32Å; K66-Y119 HydrophobicContact CG-CD2 3.42Å; K66-Y119 VanDerWaalsContact CG-CD2 3.42Å; K66-Y119 HydrophobicContact CG-CE2 3.71Å; K66-Y119 HydrophobicContact CG-CG 4.28Å |
| 67 | N | 91.9 | Very high | 90.3 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64 | -21.8 | -173.6 | -69.1 | -6.5 | 0 | 0 | 0 | 112.4 | I63 Q64 L69 Y80 | I63-N67 WeakPolarHBondContact O-CB 3.39Å; I63-N67 VanDerWaalsContact O-CG 3.22Å; I63-N67 PolarHBondContact O-N 3.21Å; I63-N67 PolarHBondContact O-OD1 2.95Å; Q64-N67 PolarHBondContact O-N 2.91Å; N67-L69 VanDerWaalsContact C-N 3.33Å; N67-Y80 WeakPolarHBondContact O-CE2 3.18Å |
| 68 | A | 92 | Very high | 90.1 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -17.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L37 L41 Q64 L65 K66 R83 | L37-A68 HydrophobicContact CD1-CB 4.28Å; L41-A68 HydrophobicContact CD1-CB 4.49Å; L41-A68 HydrophobicContact CD2-CB 3.56Å; Q64-A68 PolarHBondContact O-N 2.72Å; L65-A68 PolarHBondContact O-N 3.21Å; K66-A68 PolarHBondContact O-N 2.97Å; K66-A68 VanDerWaalsContact O-N 3.14Å; A68-R83 PolarHBondContact O-NH2 3.31Å |
| 69 | L | 90.3 | Very high | 90 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -27 | -175.6 | -61.9 | 174.6 | 0 | 0 | 0 | 113.4 | L65 K66 N67 W84 I120 | L65-L69 HydrophobicContact CD2-CD1 3.64Å; L65-L69 WeakPolarHBondContact O-CG 3.23Å; K66-L69 WeakPolarHBondContact O-CA 3.35Å; K66-L69 PolarHBondContact O-N 2.77Å; N67-L69 VanDerWaalsContact C-N 3.33Å; L69-W84 HydrophobicContact CD2-CB 3.98Å; L69-W84 HydrophobicContact CD2-CD2 3.61Å; L69-W84 HydrophobicContact CD2-CE3 3.29Å; L69-W84 HydrophobicContact CD2-CG 3.92Å; L69-W84 HydrophobicContact CD2-CZ3 3.97Å; L69-I120 HydrophobicContact CD1-CB 4.49Å; L69-I120 HydrophobicContact CD1-CD1 4.27Å; L69-I120 HydrophobicContact CD1-CG1 3.37Å |
| 70 | Y | 89.4 | Confident | 90 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | trans | -138.1 | 143.4 | -172.3 | -177 | -89.5 | 0 | 0 | 0 | 112.3 | K66 K72 K77 Y119 D164 | K66-Y70 PolarHBondContact O-N 3.5Å; Y70-K72 HydrophobicContact CE1-CG 4.43Å; Y70-K77 HydrophobicContact CD2-CD 4.26Å; Y70-K77 HydrophobicContact CD2-CG 4.31Å; Y70-K77 HydrophobicContact CE2-CD 3.93Å; Y70-K77 HydrophobicContact CE2-CG 4.47Å; Y70-Y119 HydrophobicContact CD1-CD1 4.17Å; Y70-Y119 AromaticContact CD1-CE1 3.8Å; Y70-Y119 HydrophobicContact CD1-CE1 3.8Å; Y70-Y119 AromaticContact CD2-CD1 3.27Å; Y70-Y119 HydrophobicContact CD2-CD1 3.27Å; Y70-Y119 AromaticContact CD2-CE1 3.4Å; Y70-Y119 HydrophobicContact CD2-CE1 3.4Å; Y70-Y119 VanDerWaalsContact CD2-CE1 3.4Å; Y70-Y119 HydrophobicContact CD2-CG 4.31Å; Y70-Y119 AromaticContact CE1-CE1 3.99Å; Y70-Y119 HydrophobicContact CE1-CE1 3.99Å; Y70-Y119 AromaticContact CE2-CD1 3.87Å; Y70-Y119 HydrophobicContact CE2-CD1 3.87Å; Y70-Y119 AromaticContact CE2-CE1 3.54Å; Y70-Y119 HydrophobicContact CE2-CE1 3.54Å; Y70-Y119 AromaticContact CG-CD1 3.41Å; Y70-Y119 HydrophobicContact CG-CD1 3.41Å; Y70-Y119 VanDerWaalsContact CG-CD1 3.41Å; Y70-Y119 AromaticContact CG-CE1 3.5Å; Y70-Y119 HydrophobicContact CG-CE1 3.5Å; Y70-Y119 VanDerWaalsContact CG-CE1 3.5Å; Y70-Y119 HydrophobicContact CG-CG 4.1Å; Y70-Y119 AromaticContact CZ-CE1 3.84Å; Y70-D164 HydrophobicContact CE2-CB 4.49Å; Y70-D164 PolarHBondContact OH-OD1 3.13Å | ||
| 71 | S | 88.7 | Confident | 90 | Very high | 28 Ų | 28 | 51.5 Ų | 51.5 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | trans | -133.9 | 151.8 | 168.1 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | D73 | S71-D73 PolarHBondContact OG-N 2.54Š| ||
| 72 | K | 84.2 | Confident | 89.9 | Confident | 193 Ų | 193 | 56.5 Ų | 56.5 | 84% | 0.839 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -69.1 | -23.9 | 168.8 | -67.8 | -173.7 | 177.1 | -174.3 | 0 | 111.9 | Y70 P74 | Y70-K72 HydrophobicContact CE1-CG 4.43Å; K72-P74 WeakPolarHBondContact O-CD 3.24Å |
| 73 | D | 83.1 | Confident | 89.8 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -72.3 | 117.7 | 172.7 | 176.9 | -26.1 | 0 | 0 | 0 | 109.5 | S71 A75 L76 K77 | S71-D73 PolarHBondContact OG-N 2.54Å; D73-A75 VanDerWaalsContact C-N 3.29Å; D73-A75 PolarHBondContact O-N 3.07Å; D73-A75 WeakPolarHBondContact OD1-CB 3.41Å; D73-A75 PolarHBondContact OD1-N 3.28Å; D73-L76 HydrophobicContact CB-CB 4.08Å; D73-L76 HydrophobicContact CB-CD1 4.08Å; D73-L76 HydrophobicContact CB-CG 4.21Å; D73-L76 PolarHBondContact O-N 3.23Å; D73-L76 PolarHBondContact OD1-N 3.26Å; D73-K77 WeakPolarHBondContact O-CB 3.3Å; D73-K77 PolarHBondContact O-N 2.96Å |
| 74 | P | 81.8 | Confident | 89.9 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.4 | -34 | -178.5 | -25.2 | 35 | 0 | 0 | 0 | 114.7 | K72 T78 | K72-P74 WeakPolarHBondContact O-CD 3.24Å; P74-T78 PolarHBondContact O-N 2.93Å; P74-T78 VanDerWaalsContact O-N 3.07Å; P74-T78 PolarHBondContact O-OG1 3.38Å |
| 75 | A | 82 | Confident | 90 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 58% | 0.579 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.8 | -46.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D73 T78 L79 | D73-A75 VanDerWaalsContact C-N 3.29Å; D73-A75 PolarHBondContact O-N 3.07Å; D73-A75 WeakPolarHBondContact OD1-CB 3.41Å; D73-A75 PolarHBondContact OD1-N 3.28Å; A75-T78 PolarHBondContact O-N 2.96Å; A75-L79 PolarHBondContact O-N 3.12Å; A75-L79 VanDerWaalsContact O-N 3.08Å |
| 76 | L | 87.9 | Confident | 89.9 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 29% | 0.293 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 174.2 | -68.7 | 178.4 | 0 | 0 | 0 | 112.1 | D73 T78 L79 Y80 | D73-L76 HydrophobicContact CB-CB 4.08Å; D73-L76 HydrophobicContact CB-CD1 4.08Å; D73-L76 HydrophobicContact CB-CG 4.21Å; D73-L76 PolarHBondContact O-N 3.23Å; D73-L76 PolarHBondContact OD1-N 3.26Å; L76-T78 VanDerWaalsContact C-N 3.35Å; L76-T78 PolarHBondContact O-N 2.97Å; L76-L79 HydrophobicContact CD2-CD2 4.32Å; L76-L79 PolarHBondContact O-N 3.17Å; L76-Y80 HydrophobicContact CB-CE1 4.48Å; L76-Y80 HydrophobicContact CD2-CE1 4.33Å; L76-Y80 WeakPolarHBondContact O-CB 3.28Å; L76-Y80 WeakPolarHBondContact O-CD1 3.28Å; L76-Y80 PolarHBondContact O-N 2.99Å |
| 77 | K | 88.7 | Confident | 89.7 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 22% | 0.217 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55 | -51.5 | 174 | -178.3 | 179.9 | 177.4 | 178.6 | 0 | 110.3 | Y70 D73 L79 Y80 Q81 D164 | Y70-K77 HydrophobicContact CD2-CD 4.26Å; Y70-K77 HydrophobicContact CD2-CG 4.31Å; Y70-K77 HydrophobicContact CE2-CD 3.93Å; Y70-K77 HydrophobicContact CE2-CG 4.47Å; D73-K77 WeakPolarHBondContact O-CB 3.3Å; D73-K77 PolarHBondContact O-N 2.96Å; K77-L79 PolarHBondContact O-N 3.49Å; K77-Y80 PolarHBondContact O-N 3.18Å; K77-Q81 WeakPolarHBondContact O-CB 3.18Å; K77-Q81 VanDerWaalsContact O-CG 3.25Å; K77-Q81 WeakPolarHBondContact O-CG 3.37Å; K77-Q81 PolarHBondContact O-N 3.15Å; K77-D164 PolarHBondContact NZ-O 3.18Å |
| 78 | T | 88.2 | Confident | 89.8 | Confident | 71 Ų | 71 | 64 Ų | 64 | 44% | 0.436 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | P74 A75 L76 Y80 Q81 Q82 | P74-T78 PolarHBondContact O-N 2.93Å; P74-T78 VanDerWaalsContact O-N 3.07Å; P74-T78 PolarHBondContact O-OG1 3.38Å; A75-T78 PolarHBondContact O-N 2.96Å; L76-T78 VanDerWaalsContact C-N 3.35Å; L76-T78 PolarHBondContact O-N 2.97Å; T78-Y80 PolarHBondContact O-N 3.48Å; T78-Q81 PolarHBondContact O-N 3.45Å; T78-Q82 WeakPolarHBondContact O-CG 3.24Å; T78-Q82 PolarHBondContact O-N 3.26Å |
| 79 | L | 92 | Very high | 89.8 | Confident | 84 Ų | 84 | 67 Ų | 67 | 44% | 0.44 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 177.4 | 178.8 | 64.9 | 0 | 0 | 0 | 112.1 | A75 L76 K77 Q82 R83 | A75-L79 PolarHBondContact O-N 3.12Å; A75-L79 VanDerWaalsContact O-N 3.08Å; L76-L79 HydrophobicContact CD2-CD2 4.32Å; L76-L79 PolarHBondContact O-N 3.17Å; K77-L79 PolarHBondContact O-N 3.49Å; L79-Q82 PolarHBondContact O-N 3.3Å; L79-R83 VanDerWaalsContact O-CB 3.31Å; L79-R83 WeakPolarHBondContact O-CB 3.23Å; L79-R83 PolarHBondContact O-N 2.98Å |
| 80 | Y | 92.9 | Very high | 90 | Very high | 48 Ų | 48 | 73.6 Ų | 73.6 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.2 | -39.8 | -178.2 | -67.9 | -0.2 | 0 | 0 | 0 | 111.7 | N67 L76 K77 T78 R83 W84 | N67-Y80 WeakPolarHBondContact O-CE2 3.18Å; L76-Y80 HydrophobicContact CB-CE1 4.48Å; L76-Y80 HydrophobicContact CD2-CE1 4.33Å; L76-Y80 WeakPolarHBondContact O-CB 3.28Å; L76-Y80 WeakPolarHBondContact O-CD1 3.28Å; L76-Y80 PolarHBondContact O-N 2.99Å; K77-Y80 PolarHBondContact O-N 3.18Å; T78-Y80 PolarHBondContact O-N 3.48Å; Y80-R83 PolarHBondContact O-N 3.42Å; Y80-W84 WeakPolarHBondContact O-CB 3.34Å; Y80-W84 PolarHBondContact O-N 3Å |
| 81 | Q | 92 | Very high | 90.2 | Very high | 39 Ų | 39 | 72.6 Ų | 72.6 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.9 | -70.5 | 177.3 | -18.1 | 0 | 0 | 111.7 | K77 T78 R83 W84 L85 C122 A123 | K77-Q81 WeakPolarHBondContact O-CB 3.18Å; K77-Q81 VanDerWaalsContact O-CG 3.25Å; K77-Q81 WeakPolarHBondContact O-CG 3.37Å; K77-Q81 PolarHBondContact O-N 3.15Å; T78-Q81 PolarHBondContact O-N 3.45Å; Q81-R83 PolarHBondContact O-N 3.42Å; Q81-W84 PolarHBondContact O-N 3.04Å; Q81-L85 VanDerWaalsContact O-CG 3.32Å; Q81-L85 WeakPolarHBondContact O-CG 3.37Å; Q81-L85 PolarHBondContact O-N 3.35Å; Q81-C122 PolarHBondContact NE2-O 3.38Å; Q81-A123 HydrophobicContact CB-CB 4.04Å; Q81-A123 HydrophobicContact CG-CB 3.96Å |
| 82 | Q | 92.7 | Very high | 90.5 | Very high | 106 Ų | 106 | 72 Ų | 72 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175.2 | -72.9 | -178.4 | -1.4 | 0 | 0 | 111.7 | T78 L79 W84 L85 Q86 | T78-Q82 WeakPolarHBondContact O-CG 3.24Å; T78-Q82 PolarHBondContact O-N 3.26Å; L79-Q82 PolarHBondContact O-N 3.3Å; Q82-W84 VanDerWaalsContact C-N 3.33Å; Q82-W84 PolarHBondContact O-N 3.25Å; Q82-L85 PolarHBondContact O-N 3.02Å; Q82-Q86 VanDerWaalsContact O-CG 3.29Å; Q82-Q86 WeakPolarHBondContact O-CG 3.28Å; Q82-Q86 PolarHBondContact O-N 2.92Å; Q82-Q86 VanDerWaalsContact O-N 3.07Å |
| 83 | R | 93.9 | Very high | 91 | Very high | 85 Ų | 85 | 67.1 Ų | 67.1 | 32% | 0.321 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 175.2 | -178.4 | 176.8 | 67.2 | -179.1 | 0.1 | 111.6 | L37 F38 A68 L79 Y80 Q81 Q86 | L37-R83 HydrophobicContact CD2-CG 4.1Å; L37-R83 VanDerWaalsContact CD2-CZ 3.5Å; L37-R83 VanDerWaalsContact CD2-NE 3.26Å; F38-R83 HydrophobicContact CZ-CG 4.48Å; F38-R83 WeakPolarHBondContact CZ-O 3.47Å; A68-R83 PolarHBondContact O-NH2 3.31Å; L79-R83 VanDerWaalsContact O-CB 3.31Å; L79-R83 WeakPolarHBondContact O-CB 3.23Å; L79-R83 PolarHBondContact O-N 2.98Å; Y80-R83 PolarHBondContact O-N 3.42Å; Q81-R83 PolarHBondContact O-N 3.42Å; R83-Q86 PolarHBondContact O-N 3.35Å |
| 84 | W | 95.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 174.4 | 171.5 | -98.2 | 0 | 0 | 0 | 111.6 | L41 L69 Y80 Q81 Q82 Q86 A87 R92 I95 K96 I120 A123 E124 | L41-W84 HydrophobicContact CD1-CZ3 4.4Å; L69-W84 HydrophobicContact CD2-CB 3.98Å; L69-W84 HydrophobicContact CD2-CD2 3.61Å; L69-W84 HydrophobicContact CD2-CE3 3.29Å; L69-W84 HydrophobicContact CD2-CG 3.92Å; L69-W84 HydrophobicContact CD2-CZ3 3.97Å; Y80-W84 WeakPolarHBondContact O-CB 3.34Å; Y80-W84 PolarHBondContact O-N 3Å; Q81-W84 PolarHBondContact O-N 3.04Å; Q82-W84 VanDerWaalsContact C-N 3.33Å; Q82-W84 PolarHBondContact O-N 3.25Å; W84-Q86 PolarHBondContact O-N 2.87Å; W84-A87 WeakPolarHBondContact O-CB 3.31Å; W84-A87 PolarHBondContact O-N 2.99Å; W84-R92 HydrophobicContact CD2-CG 4.39Å; W84-R92 HydrophobicContact CH2-CB 4.18Å; W84-R92 HydrophobicContact CH2-CG 3.97Å; W84-R92 HydrophobicContact CZ2-CB 3.84Å; W84-R92 HydrophobicContact CZ2-CG 3.71Å; W84-R92 HydrophobicContact CZ3-CG 4.37Å; W84-R92 WeakPolarHBondContact O-CD 3.49Å; W84-I95 HydrophobicContact CH2-CB 4.07Å; W84-I95 HydrophobicContact CH2-CD1 4.13Å; W84-I95 HydrophobicContact CH2-CG2 3.91Å; W84-I95 HydrophobicContact CZ3-CD1 3.94Å; W84-I95 HydrophobicContact CZ3-CG2 4.36Å; W84-K96 HydrophobicContact CZ2-CG 4.43Å; W84-I120 HydrophobicContact CH2-CD1 4.14Å; W84-I120 HydrophobicContact CH2-CG1 4.22Å; W84-I120 HydrophobicContact CZ2-CB 4.44Å; W84-I120 HydrophobicContact CZ2-CD1 4.23Å; W84-I120 HydrophobicContact CZ2-CG1 4.03Å; W84-I120 HydrophobicContact CZ2-CG2 3.57Å; W84-A123 HydrophobicContact CG-CB 4.41Å; W84-E124 PolarHBondContact NE1-OE1 2.93Å |
| 85 | L | 93.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -26 | -178 | -70.2 | 171.8 | 0 | 0 | 0 | 113.5 | Q81 Q82 A87 A123 E124 A127 | Q81-L85 VanDerWaalsContact O-CG 3.32Å; Q81-L85 WeakPolarHBondContact O-CG 3.37Å; Q81-L85 PolarHBondContact O-N 3.35Å; Q82-L85 PolarHBondContact O-N 3.02Å; L85-A87 VanDerWaalsContact C-N 3.31Å; L85-A123 HydrophobicContact CG-CB 4.48Å; L85-E124 HydrophobicContact CD2-CG 4.18Å; L85-A127 HydrophobicContact CD1-CB 4Å; L85-A127 HydrophobicContact CD2-CB 3.76Å |
| 86 | Q | 92.6 | Very high | 93.1 | Very high | 156 Ų | 156 | 58.4 Ų | 58.4 | 73% | 0.729 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -8.4 | 175.1 | -70.5 | 172.9 | 7.8 | 0 | 0 | 114 | Q82 R83 W84 | Q82-Q86 VanDerWaalsContact O-CG 3.29Å; Q82-Q86 WeakPolarHBondContact O-CG 3.28Å; Q82-Q86 PolarHBondContact O-N 2.92Å; Q82-Q86 VanDerWaalsContact O-N 3.07Å; R83-Q86 PolarHBondContact O-N 3.35Å; W84-Q86 PolarHBondContact O-N 2.87Å |
| 87 | A | 91.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -67.9 | 150.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F38 W84 L85 V89 R92 | F38-A87 HydrophobicContact CD1-CB 3.55Å; F38-A87 HydrophobicContact CD2-CB 4.23Å; F38-A87 HydrophobicContact CE1-CB 3.16Å; F38-A87 HydrophobicContact CE2-CB 3.87Å; F38-A87 HydrophobicContact CG-CB 4.09Å; F38-A87 HydrophobicContact CZ-CB 3.33Å; W84-A87 WeakPolarHBondContact O-CB 3.31Å; W84-A87 PolarHBondContact O-N 2.99Å; L85-A87 VanDerWaalsContact C-N 3.31Å; A87-V89 PolarHBondContact O-N 3.08Å; A87-R92 HydrophobicContact CB-CG 3.75Å; A87-R92 PolarHBondContact O-NE 3.08Å |
| 88 | P | 93.1 | Very high | 93.9 | Very high | 67 Ų | 67 | 61 Ų | 61 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | trans | -53.6 | 131.8 | 173.4 | -24.1 | 33.4 | 0 | 0 | 0 | 111.8 | E90 S91 R92 | P88-E90 PolarHBondContact O-N 3.02Å; P88-S91 WeakPolarHBondContact O-CB 3.41Å; P88-S91 PolarHBondContact O-N 2.97Å; P88-R92 PolarHBondContact O-N 3.48Å; P88-R92 VanDerWaalsContact O-N 3.13Å | ||
| 89 | V | 92.7 | Very high | 94.3 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.4 | -40.5 | -175.2 | 177.6 | 0 | 0 | 0 | 0 | 111 | A87 S91 R92 E93 | A87-V89 PolarHBondContact O-N 3.08Å; V89-S91 VanDerWaalsContact C-N 3.26Å; V89-S91 PolarHBondContact O-N 3.14Å; V89-R92 PolarHBondContact O-N 3.48Å; V89-E93 HydrophobicContact CG1-CG 4.13Å; V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 WeakPolarHBondContact O-CG 3.39Å; V89-E93 PolarHBondContact O-N 3.4Å |
| 90 | E | 93.9 | Very high | 94.5 | Very high | 144 Ų | 144 | 54.6 Ų | 54.6 | 67% | 0.673 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.6 | -35.4 | 179 | -58.3 | 81.8 | -179.3 | 0 | 0 | 112.5 | P88 Y94 | P88-E90 PolarHBondContact O-N 3.02Å; E90-Y94 VanDerWaalsContact O-CB 3.31Å; E90-Y94 WeakPolarHBondContact O-CB 3.42Å; E90-Y94 PolarHBondContact O-N 2.75Å; E90-Y94 VanDerWaalsContact O-N 3.12Å |
| 91 | S | 92.9 | Very high | 94.6 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.4 | -42.9 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | P88 V89 Y94 I95 | P88-S91 WeakPolarHBondContact O-CB 3.41Å; P88-S91 PolarHBondContact O-N 2.97Å; V89-S91 VanDerWaalsContact C-N 3.26Å; V89-S91 PolarHBondContact O-N 3.14Å; S91-Y94 PolarHBondContact O-N 2.95Å; S91-I95 WeakPolarHBondContact O-CD1 3.37Å; S91-I95 VanDerWaalsContact O-CG1 3.28Å; S91-I95 WeakPolarHBondContact O-CG1 3.45Å; S91-I95 PolarHBondContact O-N 3.26Å |
| 92 | R | 95.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 53 Ų | 53 | 6% | 0.06 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 176.4 | -65.7 | -166.7 | -75.4 | 135.9 | -14.9 | 111.8 | W84 A87 P88 V89 Y94 I95 K96 E124 | W84-R92 HydrophobicContact CD2-CG 4.39Å; W84-R92 HydrophobicContact CH2-CB 4.18Å; W84-R92 HydrophobicContact CH2-CG 3.97Å; W84-R92 HydrophobicContact CZ2-CB 3.84Å; W84-R92 HydrophobicContact CZ2-CG 3.71Å; W84-R92 HydrophobicContact CZ3-CG 4.37Å; W84-R92 WeakPolarHBondContact O-CD 3.49Å; A87-R92 HydrophobicContact CB-CG 3.75Å; A87-R92 PolarHBondContact O-NE 3.08Å; P88-R92 PolarHBondContact O-N 3.48Å; P88-R92 VanDerWaalsContact O-N 3.13Å; V89-R92 PolarHBondContact O-N 3.48Å; R92-Y94 VanDerWaalsContact C-N 3.29Å; R92-Y94 PolarHBondContact O-N 3.13Å; R92-I95 PolarHBondContact O-N 2.83Å; R92-K96 VanDerWaalsContact O-CB 3.32Å; R92-K96 WeakPolarHBondContact O-CB 3.47Å; R92-K96 VanDerWaalsContact O-CG 3.24Å; R92-K96 WeakPolarHBondContact O-CG 3.37Å; R92-K96 PolarHBondContact O-N 2.91Å; R92-E124 IonicContact CZ-OE1 2.64Å; R92-E124 IonicContact NH1-OE1 3.9Å; R92-E124 PolarHBondContact NH1-OE1 3.32Å; R92-E124 IonicContact NH1-OE2 3.84Å |
| 93 | E | 95.9 | Very high | 94.9 | Very high | 91 Ų | 91 | 48.5 Ų | 48.5 | 43% | 0.425 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 176.7 | -71.6 | -54.4 | 140.1 | 0 | 0 | 112.4 | V89 K96 K97 | V89-E93 HydrophobicContact CG1-CG 4.13Å; V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 WeakPolarHBondContact O-CG 3.39Å; V89-E93 PolarHBondContact O-N 3.4Å; E93-K96 VanDerWaalsContact CD-CE 3.5Å; E93-K96 WeakPolarHBondContact OE1-CE 3.38Å; E93-K96 IonicContact OE1-NZ 3.67Å; E93-K96 PolarHBondContact OE1-NZ 3.3Å; E93-K96 IonicContact OE2-NZ 3.31Å; E93-K97 VanDerWaalsContact O-CB 3.28Å; E93-K97 WeakPolarHBondContact O-CB 3.43Å; E93-K97 PolarHBondContact O-N 3.13Å |
| 94 | Y | 96.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 21% | 0.208 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -48.7 | 176.9 | -173.3 | -85.8 | 0 | 0 | 0 | 112 | R42 D46 E90 S91 R92 K97 N98 | R42-Y94 HydrophobicContact CG-CD1 3.55Å; R42-Y94 HydrophobicContact CG-CE1 3.52Å; R42-Y94 VanDerWaalsContact NH2-CE2 3.32Å; D46-Y94 VanDerWaalsContact OD1-CE1 3.24Å; D46-Y94 WeakPolarHBondContact OD1-CE1 3.49Å; D46-Y94 PolarHBondContact OD1-OH 3.47Å; E90-Y94 VanDerWaalsContact O-CB 3.31Å; E90-Y94 WeakPolarHBondContact O-CB 3.42Å; E90-Y94 PolarHBondContact O-N 2.75Å; E90-Y94 VanDerWaalsContact O-N 3.12Å; S91-Y94 PolarHBondContact O-N 2.95Å; R92-Y94 VanDerWaalsContact C-N 3.29Å; R92-Y94 PolarHBondContact O-N 3.13Å; Y94-K97 PolarHBondContact O-N 3.08Å; Y94-N98 WeakPolarHBondContact CE1-ND2 3.47Å; Y94-N98 PolarHBondContact O-N 2.68Å |
| 95 | I | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | 178.7 | -67.4 | 162.5 | 0 | 0 | 0 | 110.2 | L41 L65 W84 S91 R92 K97 N98 C99 I120 | L41-I95 HydrophobicContact CB-CD1 3.73Å; L65-I95 HydrophobicContact CD1-CG2 4.11Å; W84-I95 HydrophobicContact CH2-CB 4.07Å; W84-I95 HydrophobicContact CH2-CD1 4.13Å; W84-I95 HydrophobicContact CH2-CG2 3.91Å; W84-I95 HydrophobicContact CZ3-CD1 3.94Å; W84-I95 HydrophobicContact CZ3-CG2 4.36Å; S91-I95 WeakPolarHBondContact O-CD1 3.37Å; S91-I95 VanDerWaalsContact O-CG1 3.28Å; S91-I95 WeakPolarHBondContact O-CG1 3.45Å; S91-I95 PolarHBondContact O-N 3.26Å; R92-I95 PolarHBondContact O-N 2.83Å; I95-K97 VanDerWaalsContact C-N 3.32Å; I95-K97 PolarHBondContact O-N 3.26Å; I95-N98 PolarHBondContact O-N 2.73Å; I95-N98 VanDerWaalsContact O-N 3.16Å; I95-C99 PolarHBondContact O-N 3.36Å; I95-C99 PolarHBondContact O-SG 3.31Å; I95-I120 HydrophobicContact CG2-CD1 4.09Å |
| 96 | K | 96.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.7 | -46.6 | 176.2 | -76 | -172.3 | -61.7 | 178.8 | 0 | 112 | W84 R92 E93 C99 L100 I120 E124 Q129 W130 | W84-K96 HydrophobicContact CZ2-CG 4.43Å; R92-K96 VanDerWaalsContact O-CB 3.32Å; R92-K96 WeakPolarHBondContact O-CB 3.47Å; R92-K96 VanDerWaalsContact O-CG 3.24Å; R92-K96 WeakPolarHBondContact O-CG 3.37Å; R92-K96 PolarHBondContact O-N 2.91Å; E93-K96 VanDerWaalsContact CD-CE 3.5Å; E93-K96 WeakPolarHBondContact OE1-CE 3.38Å; E93-K96 IonicContact OE1-NZ 3.67Å; E93-K96 PolarHBondContact OE1-NZ 3.3Å; E93-K96 IonicContact OE2-NZ 3.31Å; K96-C99 PolarHBondContact O-N 3.48Å; K96-L100 WeakPolarHBondContact O-CB 3.42Å; K96-L100 WeakPolarHBondContact O-CG 3.42Å; K96-L100 PolarHBondContact O-N 3.11Å; K96-I120 HydrophobicContact CD-CG2 4.1Å; K96-I120 HydrophobicContact CG-CD1 4.36Å; K96-I120 HydrophobicContact CG-CG2 3.93Å; K96-E124 WeakPolarHBondContact CD-OE2 3.19Å; K96-E124 WeakPolarHBondContact CE-OE2 3.37Å; K96-E124 IonicContact NZ-OE1 2.95Å; K96-E124 IonicContact NZ-OE2 2.68Å; K96-E124 PolarHBondContact NZ-OE2 2.72Å; K96-Q129 PolarHBondContact NZ-O 2.71Å; K96-W130 HydrophobicContact CB-CH2 4.1Å; K96-W130 HydrophobicContact CB-CZ2 3.73Å; K96-W130 HydrophobicContact CD-CD2 3.55Å; K96-W130 HydrophobicContact CD-CE3 3.8Å; K96-W130 HydrophobicContact CD-CG 4.03Å; K96-W130 HydrophobicContact CD-CH2 4.09Å; K96-W130 HydrophobicContact CD-CZ2 3.83Å; K96-W130 HydrophobicContact CD-CZ3 4.1Å; K96-W130 HydrophobicContact CG-CD2 4.36Å; K96-W130 HydrophobicContact CG-CE3 4.34Å; K96-W130 HydrophobicContact CG-CH2 3.81Å; K96-W130 HydrophobicContact CG-CZ2 3.78Å; K96-W130 HydrophobicContact CG-CZ3 4.12Å |
| 97 | K | 96.8 | Very high | 94.4 | Very high | 145 Ų | 145 | 43.6 Ų | 43.6 | 63% | 0.63 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.2 | -45.8 | 177 | -179.7 | -174.4 | 175.1 | -174.8 | 0 | 112 | E93 Y94 I95 A101 | E93-K97 VanDerWaalsContact O-CB 3.28Å; E93-K97 WeakPolarHBondContact O-CB 3.43Å; E93-K97 PolarHBondContact O-N 3.13Å; Y94-K97 PolarHBondContact O-N 3.08Å; I95-K97 VanDerWaalsContact C-N 3.32Å; I95-K97 PolarHBondContact O-N 3.26Å; K97-A101 VanDerWaalsContact O-CB 3.26Å; K97-A101 WeakPolarHBondContact O-CB 3.35Å; K97-A101 PolarHBondContact O-N 2.7Å |
| 98 | N | 97 | Very high | 94 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -45.3 | 179.7 | -80.9 | -0.2 | 0 | 0 | 0 | 111.9 | S45 D46 V49 Y94 I95 L100 A101 A102 | S45-N98 PolarHBondContact OG-ND2 2.83Å; D46-N98 PolarHBondContact OD1-ND2 3.39Å; V49-N98 HydrophobicContact CB-CB 4.43Å; V49-N98 HydrophobicContact CG1-CB 4.35Å; Y94-N98 WeakPolarHBondContact CE1-ND2 3.47Å; Y94-N98 PolarHBondContact O-N 2.68Å; I95-N98 PolarHBondContact O-N 2.73Å; I95-N98 VanDerWaalsContact O-N 3.16Å; N98-L100 PolarHBondContact O-N 3Å; N98-A101 PolarHBondContact O-N 3.08Å; N98-A102 WeakPolarHBondContact O-CB 3.32Å; N98-A102 PolarHBondContact O-N 3.08Å |
| 99 | C | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 176.5 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | I95 K96 A102 C116 V117 | I95-C99 PolarHBondContact O-N 3.36Å; I95-C99 PolarHBondContact O-SG 3.31Å; K96-C99 PolarHBondContact O-N 3.48Å; C99-A102 PolarHBondContact O-N 3.26Å; C99-C116 HydrophobicContact CB-CB 4.31Å; C99-V117 HydrophobicContact CB-CG2 3.97Å |
| 100 | L | 95.9 | Very high | 93.2 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 175 | -78.2 | 176 | 0 | 0 | 0 | 112.7 | K96 N98 A102 L103 V117 W130 L133 L137 | K96-L100 WeakPolarHBondContact O-CB 3.42Å; K96-L100 WeakPolarHBondContact O-CG 3.42Å; K96-L100 PolarHBondContact O-N 3.11Å; N98-L100 PolarHBondContact O-N 3Å; L100-A102 PolarHBondContact O-N 2.97Å; L100-L103 HydrophobicContact CD2-CD1 4.02Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 3.46Å; L100-V117 HydrophobicContact CD2-CG1 4.25Å; L100-V117 HydrophobicContact CD2-CG2 4.08Å; L100-V117 HydrophobicContact CG-CG2 4.46Å; L100-W130 HydrophobicContact CD1-CZ2 3.69Å; L100-W130 HydrophobicContact CD2-CZ2 4.38Å; L100-W130 HydrophobicContact CG-CH2 4.45Å; L100-W130 HydrophobicContact CG-CZ2 3.9Å; L100-L133 HydrophobicContact CD2-CD1 3.87Å; L100-L137 HydrophobicContact CD2-CD2 4.16Å |
| 101 | A | 95.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 45% | 0.446 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.6 | -22.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V49 K97 N98 L103 T105 | V49-A101 HydrophobicContact CG2-CB 3.82Å; K97-A101 VanDerWaalsContact O-CB 3.26Å; K97-A101 WeakPolarHBondContact O-CB 3.35Å; K97-A101 PolarHBondContact O-N 2.7Å; N98-A101 PolarHBondContact O-N 3.08Å; A101-L103 VanDerWaalsContact C-N 3.34Å; A101-T105 WeakPolarHBondContact O-CG2 3.5Å |
| 102 | A | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.3 | -21.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L48 V49 N98 C99 L100 G104 T105 A113 | L48-A102 HydrophobicContact CD2-CB 4.43Å; L48-A102 HydrophobicContact CG-CB 3.99Å; V49-A102 HydrophobicContact CB-CB 4.33Å; V49-A102 HydrophobicContact CG2-CB 4.4Å; N98-A102 WeakPolarHBondContact O-CB 3.32Å; N98-A102 PolarHBondContact O-N 3.08Å; C99-A102 PolarHBondContact O-N 3.26Å; L100-A102 PolarHBondContact O-N 2.97Å; A102-G104 PolarHBondContact O-N 3.36Å; A102-T105 WeakPolarHBondContact CA-OG1 3.27Å; A102-T105 WeakPolarHBondContact O-CB 3.39Å; A102-T105 PolarHBondContact O-N 3.45Å; A102-T105 PolarHBondContact O-OG1 3.27Å; A102-A113 HydrophobicContact CB-CB 3.65Å |
| 103 | L | 94.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 120.2 | 177.1 | -65.4 | 174.8 | 0 | 0 | 0 | 111 | L100 A101 A113 A114 V117 L137 | L100-L103 HydrophobicContact CD2-CD1 4.02Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 3.46Å; A101-L103 VanDerWaalsContact C-N 3.34Å; L103-A113 HydrophobicContact CD2-CB 4.01Å; L103-A114 HydrophobicContact CD2-CB 4.26Å; L103-V117 HydrophobicContact CD1-CG2 4.36Å; L103-L137 HydrophobicContact CD1-CD2 4Å |
| 104 | G | 92.5 | Very high | 93.3 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A102 S153 | A102-G104 PolarHBondContact O-N 3.36Å; G104-S153 PolarHBondContact N-OG 3.4Å |
| 105 | T | 94.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 28% | 0.282 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -9.3 | 175.3 | 70.7 | 0 | 0 | 0 | 0 | 112.9 | V51 R58 A101 A102 | V51-T105 HydrophobicContact CG1-CG2 4.38Å; R58-T105 PolarHBondContact NH1-O 2.78Å; R58-T105 PolarHBondContact NH2-OG1 3.5Å; A101-T105 WeakPolarHBondContact O-CG2 3.5Å; A102-T105 WeakPolarHBondContact CA-OG1 3.27Å; A102-T105 WeakPolarHBondContact O-CB 3.39Å; A102-T105 PolarHBondContact O-N 3.45Å; A102-T105 PolarHBondContact O-OG1 3.27Å |
| 106 | E | 90.6 | Very high | 93.2 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | trans | -85 | 145.2 | 179.5 | -64.1 | 165.6 | 112.5 | 0 | 0 | 111.1 | S111 S112 A113 | E106-S111 WeakPolarHBondContact OE2-CA 3.42Å; E106-S111 VanDerWaalsContact OE2-CB 3.29Å; E106-S111 WeakPolarHBondContact OE2-CB 3.44Å; E106-S111 PolarHBondContact OE2-OG 3.46Å; E106-S112 WeakPolarHBondContact OE1-CA 3.33Å; E106-S112 WeakPolarHBondContact OE1-CB 3.15Å; E106-S112 PolarHBondContact OE1-N 3.14Å; E106-A113 PolarHBondContact OE1-N 2.82Å; E106-A113 VanDerWaalsContact OE2-CB 3.31Å; E106-A113 WeakPolarHBondContact OE2-CB 3.33Å; E106-A113 PolarHBondContact OE2-N 2.66Å | ||
| 107 | T | 86.2 | Confident | 93.2 | Very high | 111 Ų | 111 | 35.3 Ų | 35.3 | 68% | 0.681 | 20% | 0.2 | S | C | * | . | trans | -106.7 | -0.4 | 178.6 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | P55 | P55-T107 WeakPolarHBondContact CG-OG1 3.46Š| ||
| 108 | T | 84.6 | Confident | 93.2 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 18% | 0.184 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -73.3 | 155.6 | 176.1 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | P55 M59 H110 R152 | P55-T108 HydrophobicContact CB-CG2 4.4Å; M59-T108 HydrophobicContact SD-CG2 4.44Å; T108-H110 VanDerWaalsContact C-N 3.25Å; T108-H110 WeakPolarHBondContact CB-O 3.12Å; T108-H110 PolarHBondContact O-N 2.86Å; T108-H110 PolarHBondContact OG1-O 2.9Å; T108-R152 PolarHBondContact O-NH2 3.32Å |
| 109 | T | 80.9 | Confident | 93 | Very high | 116 Ų | 116 | 28.6 Ų | 28.6 | 71% | 0.712 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -60 | -35 | 178.5 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | R152 | T109-R152 PolarHBondContact O-NH1 2.75Š|
| 110 | H | 87.8 | Confident | 93 | Very high | 116 Ų | 116 | 28.6 Ų | 28.6 | 54% | 0.537 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -120.7 | 144.5 | 173.6 | -59.9 | -61.6 | 0 | 0 | 0 | 110.2 | T108 | T108-H110 VanDerWaalsContact C-N 3.25Å; T108-H110 WeakPolarHBondContact CB-O 3.12Å; T108-H110 PolarHBondContact O-N 2.86Å; T108-H110 PolarHBondContact OG1-O 2.9Å |
| 111 | S | 93.3 | Very high | 93 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | trans | -83.6 | 119.7 | -177.9 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | E106 A113 A114 E156 | E106-S111 WeakPolarHBondContact OE2-CA 3.42Å; E106-S111 VanDerWaalsContact OE2-CB 3.29Å; E106-S111 WeakPolarHBondContact OE2-CB 3.44Å; E106-S111 PolarHBondContact OE2-OG 3.46Å; S111-A113 VanDerWaalsContact C-N 3.34Å; S111-A113 PolarHBondContact OG-N 3.12Å; S111-A114 WeakPolarHBondContact OG-CB 3.41Å; S111-A114 PolarHBondContact OG-N 2.71Å; S111-E156 WeakPolarHBondContact CB-OE2 3.35Å; S111-E156 PolarHBondContact N-OE2 3.32Å | ||
| 112 | S | 94.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.9 | -34.4 | 170.1 | -58 | 0 | 0 | 0 | 0 | 110.6 | M59 E106 A114 Q115 C116 | M59-S112 WeakPolarHBondContact CA-OG 3.41Å; M59-S112 WeakPolarHBondContact CG-OG 3.37Å; E106-S112 WeakPolarHBondContact OE1-CA 3.33Å; E106-S112 WeakPolarHBondContact OE1-CB 3.15Å; E106-S112 PolarHBondContact OE1-N 3.14Å; S112-A114 VanDerWaalsContact C-N 3.31Å; S112-A114 PolarHBondContact O-N 2.96Å; S112-Q115 PolarHBondContact O-N 3.41Å; S112-C116 PolarHBondContact O-N 3.44Å; S112-C116 PolarHBondContact O-SG 3.15Å |
| 113 | A | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.1 | -40 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L48 A102 L103 E106 S111 Q115 C116 V117 | L48-A113 HydrophobicContact CD2-CB 4.23Å; A102-A113 HydrophobicContact CB-CB 3.65Å; L103-A113 HydrophobicContact CD2-CB 4.01Å; E106-A113 PolarHBondContact OE1-N 2.82Å; E106-A113 VanDerWaalsContact OE2-CB 3.31Å; E106-A113 WeakPolarHBondContact OE2-CB 3.33Å; E106-A113 PolarHBondContact OE2-N 2.66Å; S111-A113 VanDerWaalsContact C-N 3.34Å; S111-A113 PolarHBondContact OG-N 3.12Å; A113-Q115 PolarHBondContact O-N 3.2Å; A113-C116 PolarHBondContact O-N 2.86Å; A113-V117 WeakPolarHBondContact O-CG2 3.27Å; A113-V117 PolarHBondContact O-N 3.38Å |
| 114 | A | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L103 S111 S112 V117 A118 S153 E156 Y160 | L103-A114 HydrophobicContact CD2-CB 4.26Å; S111-A114 WeakPolarHBondContact OG-CB 3.41Å; S111-A114 PolarHBondContact OG-N 2.71Å; S112-A114 VanDerWaalsContact C-N 3.31Å; S112-A114 PolarHBondContact O-N 2.96Å; A114-V117 PolarHBondContact O-N 3.43Å; A114-A118 WeakPolarHBondContact O-CB 3.5Å; A114-A118 PolarHBondContact O-N 2.9Å; A114-S153 WeakPolarHBondContact CB-O 3.33Å; A114-E156 HydrophobicContact CB-CB 4.07Å; A114-Y160 HydrophobicContact CB-CD2 4.24Å; A114-Y160 HydrophobicContact CB-CE2 4.2Å |
| 115 | Q | 95.1 | Very high | 92.8 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 16% | 0.159 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 173.9 | -68.3 | -175.9 | 10.1 | 0 | 0 | 111 | K66 S112 A113 V117 A118 Y119 Y160 | K66-Q115 HydrophobicContact CD-CB 4.25Å; S112-Q115 PolarHBondContact O-N 3.41Å; A113-Q115 PolarHBondContact O-N 3.2Å; Q115-V117 VanDerWaalsContact C-N 3.35Å; Q115-V117 PolarHBondContact O-N 3.45Å; Q115-A118 PolarHBondContact O-N 2.94Å; Q115-Y119 HydrophobicContact CB-CD2 4.1Å; Q115-Y119 HydrophobicContact CB-CE2 3.92Å; Q115-Y119 HydrophobicContact CG-CE2 4.34Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.48Å; Q115-Y119 PolarHBondContact O-N 3.33Å; Q115-Y160 HydrophobicContact CG-CD2 3.94Å; Q115-Y160 HydrophobicContact CG-CE2 3.48Å; Q115-Y160 VanDerWaalsContact CG-CE2 3.48Å; Q115-Y160 PolarHBondContact NE2-OH 3.03Å |
| 116 | C | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.5 | -46 | 178.2 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | G62 L65 C99 S112 A113 A118 Y119 I120 | G62-C116 PolarHBondContact O-SG 3Å; L65-C116 HydrophobicContact CD2-CB 3.84Å; C99-C116 HydrophobicContact CB-CB 4.31Å; S112-C116 PolarHBondContact O-N 3.44Å; S112-C116 PolarHBondContact O-SG 3.15Å; A113-C116 PolarHBondContact O-N 2.86Å; C116-A118 VanDerWaalsContact C-N 3.34Å; C116-A118 PolarHBondContact O-N 3.16Å; C116-Y119 PolarHBondContact O-N 2.79Å; C116-I120 VanDerWaalsContact O-CG1 3.23Å; C116-I120 WeakPolarHBondContact O-CG1 3.2Å; C116-I120 PolarHBondContact O-N 3.15Å |
| 117 | V | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -46.3 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | C99 L100 L103 A113 A114 Q115 A121 W130 L133 L137 | C99-V117 HydrophobicContact CB-CG2 3.97Å; L100-V117 HydrophobicContact CD2-CG1 4.25Å; L100-V117 HydrophobicContact CD2-CG2 4.08Å; L100-V117 HydrophobicContact CG-CG2 4.46Å; L103-V117 HydrophobicContact CD1-CG2 4.36Å; A113-V117 WeakPolarHBondContact O-CG2 3.27Å; A113-V117 PolarHBondContact O-N 3.38Å; A114-V117 PolarHBondContact O-N 3.43Å; Q115-V117 VanDerWaalsContact C-N 3.35Å; Q115-V117 PolarHBondContact O-N 3.45Å; V117-A121 VanDerWaalsContact O-CB 3.31Å; V117-A121 WeakPolarHBondContact O-CB 3.1Å; V117-A121 PolarHBondContact O-N 3.49Å; V117-W130 HydrophobicContact CG1-CH2 4.15Å; V117-W130 HydrophobicContact CG1-CZ3 4.49Å; V117-L133 HydrophobicContact CG1-CD1 3.83Å; V117-L133 HydrophobicContact CG1-CD2 4.35Å; V117-L137 HydrophobicContact CG1-CD2 4.45Å |
| 118 | A | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A114 Q115 C116 A121 C122 Y160 I161 | A114-A118 WeakPolarHBondContact O-CB 3.5Å; A114-A118 PolarHBondContact O-N 2.9Å; Q115-A118 PolarHBondContact O-N 2.94Å; C116-A118 VanDerWaalsContact C-N 3.34Å; C116-A118 PolarHBondContact O-N 3.16Å; A118-A121 CarbonylContact O-C 3.48Å; A118-A121 WeakPolarHBondContact O-CA 3.47Å; A118-A121 VanDerWaalsContact O-CB 3.31Å; A118-A121 WeakPolarHBondContact O-CB 3.26Å; A118-A121 PolarHBondContact O-N 3.18Å; A118-A121 VanDerWaalsContact O-N 3.15Å; A118-C122 PolarHBondContact O-N 3.34Å; A118-C122 PolarHBondContact O-SG 3.42Å; A118-Y160 HydrophobicContact CB-CG 4.44Å; A118-I161 HydrophobicContact CB-CG1 3.67Å |
| 119 | Y | 94.1 | Very high | 93.3 | Very high | 21 Ų | 21 | 30.8 Ų | 30.8 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -77.3 | -26.8 | -177.7 | -65.5 | -56.8 | 0 | 0 | 0 | 113.7 | K66 Y70 Q115 C116 D164 | K66-Y119 HydrophobicContact CB-CD2 4.29Å; K66-Y119 HydrophobicContact CD-CD2 3.61Å; K66-Y119 HydrophobicContact CD-CE2 3.32Å; K66-Y119 HydrophobicContact CG-CD2 3.42Å; K66-Y119 VanDerWaalsContact CG-CD2 3.42Å; K66-Y119 HydrophobicContact CG-CE2 3.71Å; K66-Y119 HydrophobicContact CG-CG 4.28Å; Y70-Y119 HydrophobicContact CD1-CD1 4.17Å; Y70-Y119 AromaticContact CD1-CE1 3.8Å; Y70-Y119 HydrophobicContact CD1-CE1 3.8Å; Y70-Y119 AromaticContact CD2-CD1 3.27Å; Y70-Y119 HydrophobicContact CD2-CD1 3.27Å; Y70-Y119 AromaticContact CD2-CE1 3.4Å; Y70-Y119 HydrophobicContact CD2-CE1 3.4Å; Y70-Y119 VanDerWaalsContact CD2-CE1 3.4Å; Y70-Y119 HydrophobicContact CD2-CG 4.31Å; Y70-Y119 AromaticContact CE1-CE1 3.99Å; Y70-Y119 HydrophobicContact CE1-CE1 3.99Å; Y70-Y119 AromaticContact CE2-CD1 3.87Å; Y70-Y119 HydrophobicContact CE2-CD1 3.87Å; Y70-Y119 AromaticContact CE2-CE1 3.54Å; Y70-Y119 HydrophobicContact CE2-CE1 3.54Å; Y70-Y119 AromaticContact CG-CD1 3.41Å; Y70-Y119 HydrophobicContact CG-CD1 3.41Å; Y70-Y119 VanDerWaalsContact CG-CD1 3.41Å; Y70-Y119 AromaticContact CG-CE1 3.5Å; Y70-Y119 HydrophobicContact CG-CE1 3.5Å; Y70-Y119 VanDerWaalsContact CG-CE1 3.5Å; Y70-Y119 HydrophobicContact CG-CG 4.1Å; Y70-Y119 AromaticContact CZ-CE1 3.84Å; Q115-Y119 HydrophobicContact CB-CD2 4.1Å; Q115-Y119 HydrophobicContact CB-CE2 3.92Å; Q115-Y119 HydrophobicContact CG-CE2 4.34Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.48Å; Q115-Y119 PolarHBondContact O-N 3.33Å; C116-Y119 PolarHBondContact O-N 2.79Å; Y119-D164 HydrophobicContact CE1-CB 4.27Å; Y119-D164 WeakPolarHBondContact CE1-OD2 3.33Å; Y119-D164 PolarHBondContact OH-OD2 3.34Å; Y119-D164 VanDerWaalsContact OH-OD2 3.06Å |
| 120 | I | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 164.2 | -64.2 | 167.6 | 0 | 0 | 0 | 109.7 | L69 W84 I95 K96 C116 C122 A123 E124 W130 | L69-I120 HydrophobicContact CD1-CB 4.49Å; L69-I120 HydrophobicContact CD1-CD1 4.27Å; L69-I120 HydrophobicContact CD1-CG1 3.37Å; W84-I120 HydrophobicContact CH2-CD1 4.14Å; W84-I120 HydrophobicContact CH2-CG1 4.22Å; W84-I120 HydrophobicContact CZ2-CB 4.44Å; W84-I120 HydrophobicContact CZ2-CD1 4.23Å; W84-I120 HydrophobicContact CZ2-CG1 4.03Å; W84-I120 HydrophobicContact CZ2-CG2 3.57Å; I95-I120 HydrophobicContact CG2-CD1 4.09Å; K96-I120 HydrophobicContact CD-CG2 4.1Å; K96-I120 HydrophobicContact CG-CD1 4.36Å; K96-I120 HydrophobicContact CG-CG2 3.93Å; C116-I120 VanDerWaalsContact O-CG1 3.23Å; C116-I120 WeakPolarHBondContact O-CG1 3.2Å; C116-I120 PolarHBondContact O-N 3.15Å; I120-C122 VanDerWaalsContact C-N 3.27Å; I120-C122 PolarHBondContact O-N 2.95Å; I120-A123 PolarHBondContact O-N 3.37Å; I120-E124 HydrophobicContact CG2-CG 4.21Å; I120-E124 PolarHBondContact O-N 3.3Å; I120-W130 HydrophobicContact CB-CE3 4.37Å; I120-W130 HydrophobicContact CB-CH2 4.48Å; I120-W130 HydrophobicContact CB-CZ3 3.67Å; I120-W130 HydrophobicContact CG2-CE3 3.67Å; I120-W130 HydrophobicContact CG2-CH2 4.24Å; I120-W130 HydrophobicContact CG2-CZ3 3.37Å |
| 121 | A | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -36.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V117 A118 A123 E124 I125 W130 L133 I161 I165 | V117-A121 VanDerWaalsContact O-CB 3.31Å; V117-A121 WeakPolarHBondContact O-CB 3.1Å; V117-A121 PolarHBondContact O-N 3.49Å; A118-A121 CarbonylContact O-C 3.48Å; A118-A121 WeakPolarHBondContact O-CA 3.47Å; A118-A121 VanDerWaalsContact O-CB 3.31Å; A118-A121 WeakPolarHBondContact O-CB 3.26Å; A118-A121 PolarHBondContact O-N 3.18Å; A118-A121 VanDerWaalsContact O-N 3.15Å; A121-A123 PolarHBondContact O-N 3.29Å; A121-E124 PolarHBondContact O-N 3.49Å; A121-I125 HydrophobicContact CB-CD1 3.82Å; A121-I125 HydrophobicContact CB-CG1 4.08Å; A121-I125 WeakPolarHBondContact O-CB 3.02Å; A121-I125 WeakPolarHBondContact O-CG1 3.32Å; A121-I125 PolarHBondContact O-N 2.87Å; A121-W130 HydrophobicContact CB-CE3 4.46Å; A121-W130 HydrophobicContact CB-CZ3 4.49Å; A121-L133 HydrophobicContact CB-CD2 3.51Å; A121-I161 HydrophobicContact CB-CD1 3.92Å; A121-I161 HydrophobicContact CB-CG1 4Å; A121-I165 HydrophobicContact CB-CD1 4.24Å |
| 122 | C | 92.5 | Very high | 94 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.034 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.1 | -29.5 | 174.3 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | Q81 A118 I120 P126 D164 I165 | Q81-C122 PolarHBondContact NE2-O 3.38Å; A118-C122 PolarHBondContact O-N 3.34Å; A118-C122 PolarHBondContact O-SG 3.42Å; I120-C122 VanDerWaalsContact C-N 3.27Å; I120-C122 PolarHBondContact O-N 2.95Å; C122-P126 WeakPolarHBondContact O-CD 3.24Å; C122-P126 WeakPolarHBondContact O-CG 3.44Å; C122-D164 VanDerWaalsContact SG-CB 3.54Å; C122-I165 HydrophobicContact CB-CG1 4.28Å |
| 123 | A | 93.5 | Very high | 94 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 5% | 0.05 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -87.9 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q81 W84 L85 I120 A121 | Q81-A123 HydrophobicContact CB-CB 4.04Å; Q81-A123 HydrophobicContact CG-CB 3.96Å; W84-A123 HydrophobicContact CG-CB 4.41Å; L85-A123 HydrophobicContact CG-CB 4.48Å; I120-A123 PolarHBondContact O-N 3.37Å; A121-A123 PolarHBondContact O-N 3.29Å |
| 124 | E | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -89.2 | -29.6 | -167.8 | -66.8 | -158 | -177.6 | 0 | 0 | 115.4 | W84 L85 R92 K96 I120 A121 A127 L128 Q129 W130 | W84-E124 PolarHBondContact NE1-OE1 2.93Å; L85-E124 HydrophobicContact CD2-CG 4.18Å; R92-E124 IonicContact CZ-OE1 2.64Å; R92-E124 IonicContact NH1-OE1 3.9Å; R92-E124 PolarHBondContact NH1-OE1 3.32Å; R92-E124 IonicContact NH1-OE2 3.84Å; K96-E124 WeakPolarHBondContact CD-OE2 3.19Å; K96-E124 WeakPolarHBondContact CE-OE2 3.37Å; K96-E124 IonicContact NZ-OE1 2.95Å; K96-E124 IonicContact NZ-OE2 2.68Å; K96-E124 PolarHBondContact NZ-OE2 2.72Å; I120-E124 HydrophobicContact CG2-CG 4.21Å; I120-E124 PolarHBondContact O-N 3.3Å; A121-E124 PolarHBondContact O-N 3.49Å; E124-A127 CarbonylContact O-C 3.48Å; E124-A127 PolarHBondContact O-N 3.15Å; E124-L128 PolarHBondContact O-N 2.96Å; E124-Q129 HydrophobicContact CB-CB 4.09Å; E124-Q129 HydrophobicContact CG-CB 4.24Å; E124-Q129 PolarHBondContact O-N 3.31Å; E124-W130 HydrophobicContact CB-CB 3.87Å |
| 125 | I | 92.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -49.9 | 177.4 | -65.6 | -177.7 | 0 | 0 | 0 | 110.6 | A121 A127 L128 L133 M134 I161 I165 I169 L170 | A121-I125 HydrophobicContact CB-CD1 3.82Å; A121-I125 HydrophobicContact CB-CG1 4.08Å; A121-I125 WeakPolarHBondContact O-CB 3.02Å; A121-I125 WeakPolarHBondContact O-CG1 3.32Å; A121-I125 PolarHBondContact O-N 2.87Å; I125-A127 PolarHBondContact O-N 2.94Å; I125-L128 PolarHBondContact O-N 3.43Å; I125-L133 HydrophobicContact CD1-CD2 4.25Å; I125-M134 HydrophobicContact CD1-CE 3.71Å; I125-I161 HydrophobicContact CD1-CG2 4.38Å; I125-I165 HydrophobicContact CB-CD1 4.12Å; I125-I165 HydrophobicContact CD1-CD1 3.83Å; I125-I165 HydrophobicContact CG1-CD1 4.35Å; I125-I169 HydrophobicContact CG2-CG2 3.66Å; I125-L170 HydrophobicContact CD1-CD2 4.32Å; I125-L170 HydrophobicContact CG2-CD2 4.43Å |
| 126 | P | 90.4 | Very high | 93.6 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 41% | 0.409 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -32.1 | 175.5 | -24.4 | 35.1 | 0 | 0 | 0 | 113 | C122 L128 I169 | C122-P126 WeakPolarHBondContact O-CD 3.24Å; C122-P126 WeakPolarHBondContact O-CG 3.44Å; P126-L128 VanDerWaalsContact C-N 3.34Å; P126-I169 HydrophobicContact CB-CD1 3.78Å; P126-I169 HydrophobicContact CG-CD1 3.7Å |
| 127 | A | 91.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 38.2 Ų | 38.2 | 31% | 0.314 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -0.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | L85 E124 I125 Q129 | L85-A127 HydrophobicContact CD1-CB 4Å; L85-A127 HydrophobicContact CD2-CB 3.76Å; E124-A127 CarbonylContact O-C 3.48Å; E124-A127 PolarHBondContact O-N 3.15Å; I125-A127 PolarHBondContact O-N 2.94Å; A127-Q129 VanDerWaalsContact C-N 3.3Å; A127-Q129 HydrophobicContact CB-CG 4.07Å; A127-Q129 WeakPolarHBondContact O-CG 3.38Å; A127-Q129 PolarHBondContact O-N 2.9Å |
| 128 | L | 91.2 | Very high | 93.3 | Very high | 151 Ų | 151 | 39 Ų | 39 | 79% | 0.791 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 33.8 | -176.1 | -55.8 | 174.1 | 0 | 0 | 0 | 114.5 | E124 I125 P126 | E124-L128 PolarHBondContact O-N 2.96Å; I125-L128 PolarHBondContact O-N 3.43Å; P126-L128 VanDerWaalsContact C-N 3.34Å |
| 129 | Q | 93.6 | Very high | 93.3 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | trans | -104.6 | -2.2 | -175.7 | -62.2 | -171.9 | 9 | 0 | 0 | 114.7 | K96 E124 A127 | K96-Q129 PolarHBondContact NZ-O 2.71Å; E124-Q129 HydrophobicContact CB-CB 4.09Å; E124-Q129 HydrophobicContact CG-CB 4.24Å; E124-Q129 PolarHBondContact O-N 3.31Å; A127-Q129 VanDerWaalsContact C-N 3.3Å; A127-Q129 HydrophobicContact CB-CG 4.07Å; A127-Q129 WeakPolarHBondContact O-CG 3.38Å; A127-Q129 PolarHBondContact O-N 2.9Å | ||
| 130 | W | 94.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | trans | -135.2 | 59.7 | 174.5 | -155 | -1.7 | 0 | 0 | 0 | 113.2 | K96 L100 V117 I120 A121 E124 D132 L133 | K96-W130 HydrophobicContact CB-CH2 4.1Å; K96-W130 HydrophobicContact CB-CZ2 3.73Å; K96-W130 HydrophobicContact CD-CD2 3.55Å; K96-W130 HydrophobicContact CD-CE3 3.8Å; K96-W130 HydrophobicContact CD-CG 4.03Å; K96-W130 HydrophobicContact CD-CH2 4.09Å; K96-W130 HydrophobicContact CD-CZ2 3.83Å; K96-W130 HydrophobicContact CD-CZ3 4.1Å; K96-W130 HydrophobicContact CG-CD2 4.36Å; K96-W130 HydrophobicContact CG-CE3 4.34Å; K96-W130 HydrophobicContact CG-CH2 3.81Å; K96-W130 HydrophobicContact CG-CZ2 3.78Å; K96-W130 HydrophobicContact CG-CZ3 4.12Å; L100-W130 HydrophobicContact CD1-CZ2 3.69Å; L100-W130 HydrophobicContact CD2-CZ2 4.38Å; L100-W130 HydrophobicContact CG-CH2 4.45Å; L100-W130 HydrophobicContact CG-CZ2 3.9Å; V117-W130 HydrophobicContact CG1-CH2 4.15Å; V117-W130 HydrophobicContact CG1-CZ3 4.49Å; I120-W130 HydrophobicContact CB-CE3 4.37Å; I120-W130 HydrophobicContact CB-CH2 4.48Å; I120-W130 HydrophobicContact CB-CZ3 3.67Å; I120-W130 HydrophobicContact CG2-CE3 3.67Å; I120-W130 HydrophobicContact CG2-CH2 4.24Å; I120-W130 HydrophobicContact CG2-CZ3 3.37Å; A121-W130 HydrophobicContact CB-CE3 4.46Å; A121-W130 HydrophobicContact CB-CZ3 4.49Å; E124-W130 HydrophobicContact CB-CB 3.87Å; W130-D132 VanDerWaalsContact C-N 3.31Å; W130-D132 VanDerWaalsContact CD1-OD1 3.3Å; W130-D132 PolarHBondContact O-N 2.81Å; W130-L133 HydrophobicContact CD2-CB 3.92Å; W130-L133 HydrophobicContact CD2-CD1 4.32Å; W130-L133 HydrophobicContact CD2-CD2 3.96Å; W130-L133 HydrophobicContact CD2-CG 4.28Å; W130-L133 HydrophobicContact CE3-CD2 3.71Å; W130-L133 HydrophobicContact CE3-CG 4.49Å; W130-L133 HydrophobicContact CG-CB 3.88Å; W130-L133 HydrophobicContact CH2-CD1 4.03Å; W130-L133 HydrophobicContact CH2-CD2 4.38Å; W130-L133 HydrophobicContact CZ2-CD1 3.8Å; W130-L133 HydrophobicContact CZ3-CD1 4.37Å; W130-L133 HydrophobicContact CZ3-CD2 3.9Å; W130-L133 PolarHBondContact O-N 3.28Å | ||
| 131 | P | 89.9 | Confident | 93.3 | Very high | 102 Ų | 102 | 44.3 Ų | 44.3 | 66% | 0.662 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -25 | -168.5 | 27.7 | -36.4 | 0 | 0 | 0 | 114.7 | ||
| 132 | D | 92.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.1 | -176.4 | 67.1 | -32.1 | 0 | 0 | 0 | 113.8 | W130 R136 | W130-D132 VanDerWaalsContact C-N 3.31Å; W130-D132 VanDerWaalsContact CD1-OD1 3.3Å; W130-D132 PolarHBondContact O-N 2.81Å; D132-R136 WeakPolarHBondContact O-CG 3.37Å; D132-R136 PolarHBondContact O-N 2.79Å; D132-R136 IonicContact OD2-CZ 2.81Å; D132-R136 IonicContact OD2-NE 3.15Å; D132-R136 PolarHBondContact OD2-NE 3.47Å; D132-R136 IonicContact OD2-NH1 3.87Å; D132-R136 IonicContact OD2-NH2 2.73Å; D132-R136 PolarHBondContact OD2-NH2 2.97Å |
| 133 | L | 94.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.1 | -54.2 | -177.5 | 175.3 | 59.7 | 0 | 0 | 0 | 111.9 | L100 V117 A121 I125 W130 E135 R136 L137 I161 | L100-L133 HydrophobicContact CD2-CD1 3.87Å; V117-L133 HydrophobicContact CG1-CD1 3.83Å; V117-L133 HydrophobicContact CG1-CD2 4.35Å; A121-L133 HydrophobicContact CB-CD2 3.51Å; I125-L133 HydrophobicContact CD1-CD2 4.25Å; W130-L133 HydrophobicContact CD2-CB 3.92Å; W130-L133 HydrophobicContact CD2-CD1 4.32Å; W130-L133 HydrophobicContact CD2-CD2 3.96Å; W130-L133 HydrophobicContact CD2-CG 4.28Å; W130-L133 HydrophobicContact CE3-CD2 3.71Å; W130-L133 HydrophobicContact CE3-CG 4.49Å; W130-L133 HydrophobicContact CG-CB 3.88Å; W130-L133 HydrophobicContact CH2-CD1 4.03Å; W130-L133 HydrophobicContact CH2-CD2 4.38Å; W130-L133 HydrophobicContact CZ2-CD1 3.8Å; W130-L133 HydrophobicContact CZ3-CD1 4.37Å; W130-L133 HydrophobicContact CZ3-CD2 3.9Å; W130-L133 PolarHBondContact O-N 3.28Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 3.2Å; L133-R136 WeakPolarHBondContact O-CB 3.26Å; L133-R136 PolarHBondContact O-N 2.98Å; L133-R136 VanDerWaalsContact O-N 3.14Å; L133-L137 HydrophobicContact CD1-CD1 3.92Å; L133-L137 HydrophobicContact CD1-CD2 4.11Å; L133-L137 HydrophobicContact CD1-CG 3.85Å; L133-L137 HydrophobicContact CG-CD1 3.97Å; L133-L137 HydrophobicContact CG-CG 4.26Å; L133-L137 WeakPolarHBondContact O-CG 3.32Å; L133-L137 PolarHBondContact O-N 2.86Å; L133-I161 HydrophobicContact CD2-CD1 4.02Å |
| 134 | M | 91.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -39.8 | -175.2 | -74.2 | -52 | 141 | 0 | 0 | 112.4 | I125 R136 L137 V138 I161 I177 | I125-M134 HydrophobicContact CD1-CE 3.71Å; M134-R136 VanDerWaalsContact C-N 3.29Å; M134-R136 PolarHBondContact O-N 3.15Å; M134-L137 HydrophobicContact CE-CD1 4.19Å; M134-L137 PolarHBondContact O-N 3.15Å; M134-L137 HydrophobicContact SD-CD1 4.11Å; M134-V138 WeakPolarHBondContact O-CB 3.4Å; M134-V138 WeakPolarHBondContact O-CG2 3.34Å; M134-V138 PolarHBondContact O-N 3.04Å; M134-I161 HydrophobicContact CE-CB 4.38Å; M134-I161 HydrophobicContact CE-CD1 3.57Å; M134-I161 HydrophobicContact CE-CG1 4.47Å; M134-I161 HydrophobicContact CE-CG2 3.66Å; M134-I177 HydrophobicContact CG-CG1 4.39Å; M134-I177 HydrophobicContact SD-CD1 4.15Å; M134-I177 HydrophobicContact SD-CG1 3.91Å |
| 135 | E | 92.4 | Very high | 92.2 | Very high | 148 Ų | 148 | 62.3 Ų | 62.3 | 69% | 0.692 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57 | -44 | 175.9 | -172.3 | 178.4 | 178.1 | 0 | 0 | 111.5 | L133 V138 E139 | L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 3.2Å; E135-V138 PolarHBondContact O-N 3.32Å; E135-E139 WeakPolarHBondContact O-CB 3.14Å; E135-E139 PolarHBondContact O-N 3.39Å |
| 136 | R | 93.9 | Very high | 92.1 | Very high | 111 Ų | 111 | 65.2 Ų | 65.2 | 42% | 0.419 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 177.5 | -68.6 | 177.1 | -177.1 | -166.2 | 1.8 | 113.2 | D132 L133 M134 V138 E139 N140 | D132-R136 WeakPolarHBondContact O-CG 3.37Å; D132-R136 PolarHBondContact O-N 2.79Å; D132-R136 IonicContact OD2-CZ 2.81Å; D132-R136 IonicContact OD2-NE 3.15Å; D132-R136 PolarHBondContact OD2-NE 3.47Å; D132-R136 IonicContact OD2-NH1 3.87Å; D132-R136 IonicContact OD2-NH2 2.73Å; D132-R136 PolarHBondContact OD2-NH2 2.97Å; L133-R136 WeakPolarHBondContact O-CB 3.26Å; L133-R136 PolarHBondContact O-N 2.98Å; L133-R136 VanDerWaalsContact O-N 3.14Å; M134-R136 VanDerWaalsContact C-N 3.29Å; M134-R136 PolarHBondContact O-N 3.15Å; R136-V138 VanDerWaalsContact C-N 3.32Å; R136-E139 PolarHBondContact O-N 2.82Å; R136-N140 PolarHBondContact O-N 2.87Å; R136-N140 VanDerWaalsContact O-N 3.08Å |
| 137 | L | 95 | Very high | 92.2 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 177.4 | -61.9 | -178.8 | 0 | 0 | 0 | 110.3 | L100 L103 V117 L133 M134 N140 V141 T154 I158 I161 | L100-L137 HydrophobicContact CD2-CD2 4.16Å; L103-L137 HydrophobicContact CD1-CD2 4Å; V117-L137 HydrophobicContact CG1-CD2 4.45Å; L133-L137 HydrophobicContact CD1-CD1 3.92Å; L133-L137 HydrophobicContact CD1-CD2 4.11Å; L133-L137 HydrophobicContact CD1-CG 3.85Å; L133-L137 HydrophobicContact CG-CD1 3.97Å; L133-L137 HydrophobicContact CG-CG 4.26Å; L133-L137 WeakPolarHBondContact O-CG 3.32Å; L133-L137 PolarHBondContact O-N 2.86Å; M134-L137 HydrophobicContact CE-CD1 4.19Å; M134-L137 PolarHBondContact O-N 3.15Å; M134-L137 HydrophobicContact SD-CD1 4.11Å; L137-N140 PolarHBondContact O-N 3.22Å; L137-V141 PolarHBondContact O-N 3.48Å; L137-T154 HydrophobicContact CB-CG2 3.86Å; L137-T154 HydrophobicContact CD2-CG2 3.96Å; L137-T154 HydrophobicContact CG-CG2 4.47Å; L137-T154 WeakPolarHBondContact O-CG2 3.48Å; L137-I158 HydrophobicContact CB-CD1 4.16Å; L137-I158 HydrophobicContact CB-CG1 4.12Å; L137-I158 HydrophobicContact CD1-CG1 4.01Å; L137-I161 HydrophobicContact CD1-CD1 3.83Å |
| 138 | V | 94 | Very high | 92.3 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 111 | M134 E135 R136 N140 V141 I142 A176 A180 | M134-V138 WeakPolarHBondContact O-CB 3.4Å; M134-V138 WeakPolarHBondContact O-CG2 3.34Å; M134-V138 PolarHBondContact O-N 3.04Å; E135-V138 PolarHBondContact O-N 3.32Å; R136-V138 VanDerWaalsContact C-N 3.32Å; V138-N140 VanDerWaalsContact C-N 3.28Å; V138-N140 PolarHBondContact O-N 2.97Å; V138-V141 PolarHBondContact O-N 3.31Å; V138-I142 HydrophobicContact CG1-CD1 4.04Å; V138-I142 HydrophobicContact CG1-CG2 4.11Å; V138-I142 WeakPolarHBondContact O-CG1 3.26Å; V138-I142 PolarHBondContact O-N 2.89Å; V138-A176 HydrophobicContact CG2-CB 4.1Å; V138-A176 WeakPolarHBondContact CG2-O 3.47Å; V138-A180 HydrophobicContact CB-CB 4.33Å; V138-A180 HydrophobicContact CG1-CB 4.35Å; V138-A180 HydrophobicContact CG2-CB 3.94Å |
| 139 | E | 94.8 | Very high | 92.4 | Very high | 107 Ų | 107 | 62.6 Ų | 62.6 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.8 | -41.3 | 177.4 | -171.7 | -173.7 | 178 | 0 | 0 | 112.3 | E135 R136 V141 T143 | E135-E139 WeakPolarHBondContact O-CB 3.14Å; E135-E139 PolarHBondContact O-N 3.39Å; R136-E139 PolarHBondContact O-N 2.82Å; E139-V141 PolarHBondContact O-N 3.23Å; E139-T143 VanDerWaalsContact O-CB 3.22Å; E139-T143 WeakPolarHBondContact O-CB 3.18Å; E139-T143 PolarHBondContact O-N 3.49Å; E139-T143 VanDerWaalsContact O-N 3.17Å; E139-T143 PolarHBondContact O-OG1 3.37Å |
| 140 | N | 94.6 | Very high | 92.4 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.2 | -29 | 178.1 | -83 | -13.8 | 0 | 0 | 0 | 113.6 | R136 L137 V138 K146 T154 | R136-N140 PolarHBondContact O-N 2.87Å; R136-N140 VanDerWaalsContact O-N 3.08Å; L137-N140 PolarHBondContact O-N 3.22Å; V138-N140 VanDerWaalsContact C-N 3.28Å; V138-N140 PolarHBondContact O-N 2.97Å; N140-K146 WeakPolarHBondContact O-CB 3.37Å; N140-K146 WeakPolarHBondContact O-CG 3.23Å; N140-K146 PolarHBondContact OD1-NZ 3.03Å; N140-T154 HydrophobicContact CB-CG2 3.91Å |
| 141 | V | 95 | Very high | 92.5 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -89.8 | -46.7 | -179.8 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | L137 V138 E139 T143 T154 L155 A180 | L137-V141 PolarHBondContact O-N 3.48Å; V138-V141 PolarHBondContact O-N 3.31Å; E139-V141 PolarHBondContact O-N 3.23Å; V141-T143 VanDerWaalsContact C-N 3.34Å; V141-T143 PolarHBondContact O-N 2.97Å; V141-T154 HydrophobicContact CG2-CG2 3.67Å; V141-L155 HydrophobicContact CG1-CD1 4.33Å; V141-L155 HydrophobicContact CG1-CD2 4.23Å; V141-L155 HydrophobicContact CG1-CG 4.38Å; V141-L155 HydrophobicContact CG2-CD2 4.06Å; V141-L155 HydrophobicContact CG2-CG 3.9Å; V141-A180 HydrophobicContact CB-CB 4.08Å; V141-A180 HydrophobicContact CG1-CB 4.35Å; V141-A180 WeakPolarHBondContact CG1-O 3.43Å; V141-A180 HydrophobicContact CG2-CB 4.29Å |
| 142 | I | 92.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 57.2 Ų | 57.2 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -76.8 | -19.7 | -172.5 | 69.7 | 178.2 | 0 | 0 | 0 | 113.4 | V138 P144 T179 C183 | V138-I142 HydrophobicContact CG1-CD1 4.04Å; V138-I142 HydrophobicContact CG1-CG2 4.11Å; V138-I142 WeakPolarHBondContact O-CG1 3.26Å; V138-I142 PolarHBondContact O-N 2.89Å; I142-P144 VanDerWaalsContact O-CD 3.29Å; I142-P144 WeakPolarHBondContact O-CD 3.48Å; I142-T179 HydrophobicContact CG2-CG2 4.43Å; I142-C183 HydrophobicContact CG2-CB 4.39Å |
| 143 | T | 92 | Very high | 92.9 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | trans | -72 | 117.6 | -179.6 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | E139 V141 N145 K146 | E139-T143 VanDerWaalsContact O-CB 3.22Å; E139-T143 WeakPolarHBondContact O-CB 3.18Å; E139-T143 PolarHBondContact O-N 3.49Å; E139-T143 VanDerWaalsContact O-N 3.17Å; E139-T143 PolarHBondContact O-OG1 3.37Å; V141-T143 VanDerWaalsContact C-N 3.34Å; V141-T143 PolarHBondContact O-N 2.97Å; T143-N145 PolarHBondContact O-N 3.05Å; T143-K146 HydrophobicContact CG2-CG 4Å; T143-K146 PolarHBondContact O-N 3.02Å | ||
| 144 | P | 84.5 | Confident | 93 | Very high | 108 Ų | 108 | 54.7 Ų | 54.7 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -27.4 | -170.5 | -27.9 | 35.8 | 0 | 0 | 0 | 115.8 | I142 | I142-P144 VanDerWaalsContact O-CD 3.29Å; I142-P144 WeakPolarHBondContact O-CD 3.48Å |
| 145 | N | 84.9 | Confident | 93.3 | Very high | 160 Ų | 160 | 54.4 Ų | 54.4 | 86% | 0.856 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 4.7 | -173.5 | -63 | -24.2 | 0 | 0 | 0 | 114.1 | T143 | T143-N145 PolarHBondContact O-N 3.05Š|
| 146 | K | 91.2 | Very high | 93.4 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -72.4 | 144.9 | 176.1 | -69 | -82.3 | -178.6 | 155.9 | 0 | 109.9 | N140 T143 K151 | N140-K146 WeakPolarHBondContact O-CB 3.37Å; N140-K146 WeakPolarHBondContact O-CG 3.23Å; N140-K146 PolarHBondContact OD1-NZ 3.03Å; T143-K146 HydrophobicContact CG2-CG 4Å; T143-K146 PolarHBondContact O-N 3.02Å; K146-K151 HydrophobicContact CB-CG 4.34Å |
| 147 | S | 92.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 45% | 0.448 | 23% | 0.234 | S | C | . | . | trans | -66 | 153.5 | -179.9 | 64 | 0 | 0 | 0 | 0 | 111.4 | A149 C150 K151 | S147-A149 VanDerWaalsContact C-N 3.25Å; S147-A149 PolarHBondContact O-N 3.26Å; S147-C150 WeakPolarHBondContact O-CB 3.42Å; S147-C150 PolarHBondContact O-N 3.35Å; S147-C150 VanDerWaalsContact OG-CB 3.26Å; S147-C150 WeakPolarHBondContact OG-CB 3.26Å; S147-C150 PolarHBondContact OG-N 3.47Å; S147-K151 PolarHBondContact O-N 2.92Å | ||
| 148 | E | 93.1 | Very high | 93.6 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -50.2 | -47.9 | 172 | -179.4 | -176.7 | 174.7 | 0 | 0 | 111.5 | C150 K151 R152 S191 S193 V194 | E148-C150 VanDerWaalsContact C-N 3.3Å; E148-C150 PolarHBondContact O-N 2.96Å; E148-K151 PolarHBondContact O-N 3.48Å; E148-R152 VanDerWaalsContact O-CB 3.32Å; E148-R152 WeakPolarHBondContact O-CB 3.35Å; E148-R152 PolarHBondContact O-N 3.13Å; E148-S191 WeakPolarHBondContact CG-OG 3.42Å; E148-S191 WeakPolarHBondContact OE1-CB 3.29Å; E148-S191 PolarHBondContact OE1-OG 3.43Å; E148-S193 PolarHBondContact OE1-OG 2.89Å; E148-V194 HydrophobicContact CG-CG2 3.81Å |
| 149 | A | 93.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S147 S153 | S147-A149 VanDerWaalsContact C-N 3.25Å; S147-A149 PolarHBondContact O-N 3.26Å; A149-S153 WeakPolarHBondContact O-CB 3.28Å; A149-S153 PolarHBondContact O-N 3.2Å; A149-S153 PolarHBondContact O-OG 2.92Å |
| 150 | C | 94.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.2 | -47.3 | 177.7 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | S147 E148 S153 T154 | S147-C150 WeakPolarHBondContact O-CB 3.42Å; S147-C150 PolarHBondContact O-N 3.35Å; S147-C150 VanDerWaalsContact OG-CB 3.26Å; S147-C150 WeakPolarHBondContact OG-CB 3.26Å; S147-C150 PolarHBondContact OG-N 3.47Å; E148-C150 VanDerWaalsContact C-N 3.3Å; E148-C150 PolarHBondContact O-N 2.96Å; C150-S153 PolarHBondContact O-OG 3.2Å; C150-T154 VanDerWaalsContact O-CB 3.22Å; C150-T154 WeakPolarHBondContact O-CB 3.35Å; C150-T154 PolarHBondContact O-N 3.33Å; C150-T154 PolarHBondContact O-OG1 3.11Å |
| 151 | K | 95.2 | Very high | 93.7 | Very high | 25 Ų | 25 | 38.9 Ų | 38.9 | 11% | 0.109 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -49.5 | 176.4 | -67.6 | -176.3 | 176.1 | 177.8 | 0 | 111.6 | K146 S147 E148 T154 L155 E189 V194 | K146-K151 HydrophobicContact CB-CG 4.34Å; S147-K151 PolarHBondContact O-N 2.92Å; E148-K151 PolarHBondContact O-N 3.48Å; K151-T154 PolarHBondContact O-N 3.02Å; K151-L155 WeakPolarHBondContact O-CD1 3.48Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.08Å; K151-E189 IonicContact NZ-OE2 2.95Å; K151-E189 PolarHBondContact NZ-OE2 3.25Å; K151-V194 HydrophobicContact CB-CG1 4.02Å; K151-V194 HydrophobicContact CB-CG2 3.94Å; K151-V194 HydrophobicContact CD-CG1 4.31Å |
| 152 | R | 95 | Very high | 93.6 | Very high | 34 Ų | 34 | 39 Ų | 39 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.2 | -56.6 | -179.8 | -179.9 | -177.1 | 64.6 | 89.4 | -15.9 | 112.2 | T108 T109 E148 T154 L155 E156 V194 A197 | T108-R152 PolarHBondContact O-NH2 3.32Å; T109-R152 PolarHBondContact O-NH1 2.75Å; E148-R152 VanDerWaalsContact O-CB 3.32Å; E148-R152 WeakPolarHBondContact O-CB 3.35Å; E148-R152 PolarHBondContact O-N 3.13Å; R152-T154 VanDerWaalsContact C-N 3.27Å; R152-T154 PolarHBondContact O-N 3.32Å; R152-L155 PolarHBondContact O-N 3.15Å; R152-L155 VanDerWaalsContact O-N 3.15Å; R152-E156 IonicContact CZ-OE1 3.84Å; R152-E156 IonicContact NH1-OE1 2.8Å; R152-E156 PolarHBondContact NH1-OE1 2.88Å; R152-E156 IonicContact NH1-OE2 2.82Å; R152-E156 PolarHBondContact O-N 3.44Å; R152-V194 HydrophobicContact CB-CG2 4.24Å; R152-A197 HydrophobicContact CG-CB 4.17Å |
| 153 | S | 96.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -34.5 | 179.4 | 54 | 0 | 0 | 0 | 0 | 112.8 | G104 A114 A149 C150 G157 | G104-S153 PolarHBondContact N-OG 3.4Å; A114-S153 WeakPolarHBondContact CB-O 3.33Å; A149-S153 WeakPolarHBondContact O-CB 3.28Å; A149-S153 PolarHBondContact O-N 3.2Å; A149-S153 PolarHBondContact O-OG 2.92Å; C150-S153 PolarHBondContact O-OG 3.2Å; S153-G157 PolarHBondContact O-N 3.24Å |
| 154 | T | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -44.3 | 174.4 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | L137 N140 V141 C150 K151 R152 G157 I158 | L137-T154 HydrophobicContact CB-CG2 3.86Å; L137-T154 HydrophobicContact CD2-CG2 3.96Å; L137-T154 HydrophobicContact CG-CG2 4.47Å; L137-T154 WeakPolarHBondContact O-CG2 3.48Å; N140-T154 HydrophobicContact CB-CG2 3.91Å; V141-T154 HydrophobicContact CG2-CG2 3.67Å; C150-T154 VanDerWaalsContact O-CB 3.22Å; C150-T154 WeakPolarHBondContact O-CB 3.35Å; C150-T154 PolarHBondContact O-N 3.33Å; C150-T154 PolarHBondContact O-OG1 3.11Å; K151-T154 PolarHBondContact O-N 3.02Å; R152-T154 VanDerWaalsContact C-N 3.27Å; R152-T154 PolarHBondContact O-N 3.32Å; T154-G157 PolarHBondContact O-N 3.2Å; T154-I158 HydrophobicContact CG2-CD1 4.29Å; T154-I158 WeakPolarHBondContact O-CG1 3.36Å; T154-I158 PolarHBondContact O-N 2.95Å |
| 155 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.8 | -37.4 | 178.2 | -72.3 | 159.7 | 0 | 0 | 0 | 112.3 | V141 K151 R152 G157 I158 G159 I181 V194 A197 A198 | V141-L155 HydrophobicContact CG1-CD1 4.33Å; V141-L155 HydrophobicContact CG1-CD2 4.23Å; V141-L155 HydrophobicContact CG1-CG 4.38Å; V141-L155 HydrophobicContact CG2-CD2 4.06Å; V141-L155 HydrophobicContact CG2-CG 3.9Å; K151-L155 WeakPolarHBondContact O-CD1 3.48Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.08Å; R152-L155 PolarHBondContact O-N 3.15Å; R152-L155 VanDerWaalsContact O-N 3.15Å; L155-G157 VanDerWaalsContact C-N 3.3Å; L155-G157 PolarHBondContact O-N 3.06Å; L155-I158 HydrophobicContact CD2-CD1 4.45Å; L155-I158 PolarHBondContact O-N 3.28Å; L155-G159 PolarHBondContact O-N 2.93Å; L155-I181 HydrophobicContact CD2-CG1 4.49Å; L155-V194 HydrophobicContact CD1-CG1 3.74Å; L155-A197 HydrophobicContact CB-CB 3.99Å; L155-A198 HydrophobicContact CD1-CB 3.84Å; L155-A198 HydrophobicContact CD2-CB 4.13Å |
| 156 | E | 96.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 12% | 0.121 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 168.7 | -73.1 | 173.1 | -162.6 | 0 | 0 | 110.8 | S111 A114 R152 G159 Y160 A197 | S111-E156 WeakPolarHBondContact CB-OE2 3.35Å; S111-E156 PolarHBondContact N-OE2 3.32Å; A114-E156 HydrophobicContact CB-CB 4.07Å; R152-E156 IonicContact CZ-OE1 3.84Å; R152-E156 IonicContact NH1-OE1 2.8Å; R152-E156 PolarHBondContact NH1-OE1 2.88Å; R152-E156 IonicContact NH1-OE2 2.82Å; R152-E156 PolarHBondContact O-N 3.44Å; E156-G159 PolarHBondContact O-N 2.67Å; E156-Y160 HydrophobicContact CB-CE2 4.33Å; E156-Y160 WeakPolarHBondContact O-CD2 3.27Å; E156-Y160 PolarHBondContact O-N 3.38Å; E156-A197 HydrophobicContact CG-CB 4.29Å |
| 157 | G | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S153 T154 L155 G159 Y160 I161 | S153-G157 PolarHBondContact O-N 3.24Å; T154-G157 PolarHBondContact O-N 3.2Å; L155-G157 VanDerWaalsContact C-N 3.3Å; L155-G157 PolarHBondContact O-N 3.06Å; G157-G159 VanDerWaalsContact C-N 3.34Å; G157-Y160 PolarHBondContact O-N 3.36Å; G157-I161 VanDerWaalsContact O-CG1 3.26Å; G157-I161 WeakPolarHBondContact O-CG1 3.24Å; G157-I161 PolarHBondContact O-N 3.47Å |
| 158 | I | 96.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 172.5 | -69 | 169.6 | 0 | 0 | 0 | 109.8 | L137 T154 L155 Y160 I161 C162 I177 A180 I181 A201 | L137-I158 HydrophobicContact CB-CD1 4.16Å; L137-I158 HydrophobicContact CB-CG1 4.12Å; L137-I158 HydrophobicContact CD1-CG1 4.01Å; T154-I158 HydrophobicContact CG2-CD1 4.29Å; T154-I158 WeakPolarHBondContact O-CG1 3.36Å; T154-I158 PolarHBondContact O-N 2.95Å; L155-I158 HydrophobicContact CD2-CD1 4.45Å; L155-I158 PolarHBondContact O-N 3.28Å; I158-Y160 PolarHBondContact O-N 3.01Å; I158-I161 PolarHBondContact O-N 3.38Å; I158-I161 VanDerWaalsContact O-N 3.14Å; I158-C162 PolarHBondContact O-N 3.11Å; I158-C162 PolarHBondContact O-SG 3.48Å; I158-I177 HydrophobicContact CG2-CG2 3.86Å; I158-A180 HydrophobicContact CD1-CB 4.03Å; I158-I181 HydrophobicContact CG2-CD1 3.96Å; I158-I181 HydrophobicContact CG2-CG1 4.09Å; I158-A201 HydrophobicContact CG2-CB 4.49Å |
| 159 | G | 95.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L155 E156 G157 C162 Q163 N204 | L155-G159 PolarHBondContact O-N 2.93Å; E156-G159 PolarHBondContact O-N 2.67Å; G157-G159 VanDerWaalsContact C-N 3.34Å; G159-C162 PolarHBondContact O-N 2.93Å; G159-Q163 WeakPolarHBondContact O-CB 3.46Å; G159-Q163 PolarHBondContact O-N 3.35Å; G159-Q163 VanDerWaalsContact O-N 3.14Å; G159-N204 WeakPolarHBondContact O-CB 3.42Å; G159-N204 PolarHBondContact O-ND2 2.69Å |
| 160 | Y | 94.9 | Very high | 92.6 | Very high | 46 Ų | 46 | 28.2 Ų | 28.2 | 18% | 0.18 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -38.7 | 174.6 | -66.2 | -45.1 | 0 | 0 | 0 | 112.5 | A114 Q115 A118 E156 G157 I158 Q163 D164 | A114-Y160 HydrophobicContact CB-CD2 4.24Å; A114-Y160 HydrophobicContact CB-CE2 4.2Å; Q115-Y160 HydrophobicContact CG-CD2 3.94Å; Q115-Y160 HydrophobicContact CG-CE2 3.48Å; Q115-Y160 VanDerWaalsContact CG-CE2 3.48Å; Q115-Y160 PolarHBondContact NE2-OH 3.03Å; A118-Y160 HydrophobicContact CB-CG 4.44Å; E156-Y160 HydrophobicContact CB-CE2 4.33Å; E156-Y160 WeakPolarHBondContact O-CD2 3.27Å; E156-Y160 PolarHBondContact O-N 3.38Å; G157-Y160 PolarHBondContact O-N 3.36Å; I158-Y160 PolarHBondContact O-N 3.01Å; Y160-Q163 PolarHBondContact O-N 3.42Å; Y160-D164 PolarHBondContact O-N 3.46Å |
| 161 | I | 95 | Very high | 92.2 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 176.1 | -69.7 | 168.6 | 0 | 0 | 0 | 110.9 | A118 A121 I125 L133 M134 L137 G157 I158 Q163 I165 L170 | A118-I161 HydrophobicContact CB-CG1 3.67Å; A121-I161 HydrophobicContact CB-CD1 3.92Å; A121-I161 HydrophobicContact CB-CG1 4Å; I125-I161 HydrophobicContact CD1-CG2 4.38Å; L133-I161 HydrophobicContact CD2-CD1 4.02Å; M134-I161 HydrophobicContact CE-CB 4.38Å; M134-I161 HydrophobicContact CE-CD1 3.57Å; M134-I161 HydrophobicContact CE-CG1 4.47Å; M134-I161 HydrophobicContact CE-CG2 3.66Å; L137-I161 HydrophobicContact CD1-CD1 3.83Å; G157-I161 VanDerWaalsContact O-CG1 3.26Å; G157-I161 WeakPolarHBondContact O-CG1 3.24Å; G157-I161 PolarHBondContact O-N 3.47Å; I158-I161 PolarHBondContact O-N 3.38Å; I158-I161 VanDerWaalsContact O-N 3.14Å; I161-Q163 PolarHBondContact O-N 3Å; I161-I165 HydrophobicContact CG2-CD1 3.7Å; I161-I165 HydrophobicContact CG2-CG1 4.19Å; I161-I165 WeakPolarHBondContact O-CB 3.47Å; I161-I165 WeakPolarHBondContact O-CG1 3.44Å; I161-I165 PolarHBondContact O-N 3.08Å; I161-L170 HydrophobicContact CG2-CD1 4.01Å; I161-L170 HydrophobicContact CG2-CD2 4.1Å |
| 162 | C | 94 | Very high | 91.8 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.034 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -30.3 | 178.9 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | I158 G159 N204 F208 | I158-C162 PolarHBondContact O-N 3.11Å; I158-C162 PolarHBondContact O-SG 3.48Å; G159-C162 PolarHBondContact O-N 2.93Å; C162-N204 HydrophobicContact CB-CB 3.93Å; C162-N204 WeakPolarHBondContact CB-O 3.32Å; C162-F208 HydrophobicContact CB-CE1 3.87Å; C162-F208 HydrophobicContact CB-CZ 3.89Å; C162-F208 VanDerWaalsContact SG-CZ 3.59Å |
| 163 | Q | 92 | Very high | 91.4 | Very high | 115 Ų | 115 | 34.9 Ų | 34.9 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -79.9 | -41.3 | -179.5 | -177 | -178.2 | -22.9 | 0 | 0 | 113.5 | G159 Y160 I161 N204 | G159-Q163 WeakPolarHBondContact O-CB 3.46Å; G159-Q163 PolarHBondContact O-N 3.35Å; G159-Q163 VanDerWaalsContact O-N 3.14Å; Y160-Q163 PolarHBondContact O-N 3.42Å; I161-Q163 PolarHBondContact O-N 3Å; Q163-N204 HydrophobicContact CB-CB 4.32Å; Q163-N204 PolarHBondContact OE1-ND2 2.79Å |
| 164 | D | 90.5 | Very high | 91.1 | Very high | 20 Ų | 20 | 35 Ų | 35 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -101.7 | -11.5 | -167.4 | -80.9 | -60.8 | 0 | 0 | 0 | 114.9 | Y70 K77 Y119 C122 Y160 | Y70-D164 HydrophobicContact CE2-CB 4.49Å; Y70-D164 PolarHBondContact OH-OD1 3.13Å; K77-D164 PolarHBondContact NZ-O 3.18Å; Y119-D164 HydrophobicContact CE1-CB 4.27Å; Y119-D164 WeakPolarHBondContact CE1-OD2 3.33Å; Y119-D164 PolarHBondContact OH-OD2 3.34Å; Y119-D164 VanDerWaalsContact OH-OD2 3.06Å; C122-D164 VanDerWaalsContact SG-CB 3.54Å; Y160-D164 PolarHBondContact O-N 3.46Å |
| 165 | I | 89.5 | Confident | 90.8 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -100.1 | 140.1 | 174.8 | -56.9 | -166 | 0 | 0 | 0 | 109.9 | A121 C122 I125 I161 I169 L170 | A121-I165 HydrophobicContact CB-CD1 4.24Å; C122-I165 HydrophobicContact CB-CG1 4.28Å; I125-I165 HydrophobicContact CB-CD1 4.12Å; I125-I165 HydrophobicContact CD1-CD1 3.83Å; I125-I165 HydrophobicContact CG1-CD1 4.35Å; I161-I165 HydrophobicContact CG2-CD1 3.7Å; I161-I165 HydrophobicContact CG2-CG1 4.19Å; I161-I165 WeakPolarHBondContact O-CB 3.47Å; I161-I165 WeakPolarHBondContact O-CG1 3.44Å; I161-I165 PolarHBondContact O-N 3.08Å; I165-I169 HydrophobicContact CG2-CB 4.09Å; I165-I169 HydrophobicContact CG2-CD1 4.29Å; I165-I169 HydrophobicContact CG2-CG2 4.34Å; I165-L170 HydrophobicContact CB-CD1 4.06Å; I165-L170 HydrophobicContact CB-CG 4.26Å; I165-L170 HydrophobicContact CD1-CD2 4.49Å; I165-L170 HydrophobicContact CG2-CD1 4.32Å; I165-L170 HydrophobicContact CG2-CD2 4.25Å; I165-L170 HydrophobicContact CG2-CG 3.96Å |
| 166 | D | 85.2 | Confident | 90.5 | Very high | 89 Ų | 89 | 40.6 Ų | 40.6 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | trans | -50.1 | 122.9 | 173 | -172.9 | -45.3 | 0 | 0 | 0 | 111.3 | C168 I169 | D166-C168 PolarHBondContact O-N 3.41Å; D166-C168 VanDerWaalsContact O-N 3.1Å; D166-C168 VanDerWaalsContact OD1-CB 3.24Å; D166-C168 WeakPolarHBondContact OD1-CB 3.38Å; D166-C168 PolarHBondContact OD1-N 3.2Å; D166-I169 HydrophobicContact CB-CD1 3.95Å; D166-I169 HydrophobicContact CB-CG1 4.1Å; D166-I169 WeakPolarHBondContact O-CB 3.48Å; D166-I169 PolarHBondContact O-N 3.11Å | ||
| 167 | P | 85.3 | Confident | 90.3 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 24% | 0.24 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -48.6 | -36.5 | 178.7 | -31.2 | 37.2 | 0 | 0 | 0 | 114.1 | I169 L170 A171 E207 F208 | P167-I169 PolarHBondContact O-N 3.39Å; P167-L170 PolarHBondContact O-N 2.85Å; P167-A171 PolarHBondContact O-N 3.17Å; P167-E207 HydrophobicContact CB-CB 4.25Å; P167-E207 HydrophobicContact CG-CB 3.98Å; P167-F208 HydrophobicContact CB-CB 3.78Å; P167-F208 HydrophobicContact CB-CD1 3.92Å; P167-F208 HydrophobicContact CB-CG 4.34Å; P167-F208 WeakPolarHBondContact O-CB 3.46Å |
| 168 | C | 85.2 | Confident | 90.2 | Very high | 105 Ų | 105 | 39.8 Ų | 39.8 | 71% | 0.709 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.1 | -31.9 | -178.8 | -65.1 | 0 | 0 | 0 | 0 | 112.8 | D166 | D166-C168 PolarHBondContact O-N 3.41Å; D166-C168 VanDerWaalsContact O-N 3.1Å; D166-C168 VanDerWaalsContact OD1-CB 3.24Å; D166-C168 WeakPolarHBondContact OD1-CB 3.38Å; D166-C168 PolarHBondContact OD1-N 3.2Å |
| 169 | I | 86.9 | Confident | 90 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74 | -38.6 | -179.3 | -57.8 | 177.8 | 0 | 0 | 0 | 110.2 | I125 P126 I165 D166 P167 | I125-I169 HydrophobicContact CG2-CG2 3.66Å; P126-I169 HydrophobicContact CB-CD1 3.78Å; P126-I169 HydrophobicContact CG-CD1 3.7Å; I165-I169 HydrophobicContact CG2-CB 4.09Å; I165-I169 HydrophobicContact CG2-CD1 4.29Å; I165-I169 HydrophobicContact CG2-CG2 4.34Å; D166-I169 HydrophobicContact CB-CD1 3.95Å; D166-I169 HydrophobicContact CB-CG1 4.1Å; D166-I169 WeakPolarHBondContact O-CB 3.48Å; D166-I169 PolarHBondContact O-N 3.11Å; P167-I169 PolarHBondContact O-N 3.39Å |
| 170 | L | 87.9 | Confident | 90 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -81.9 | -18.1 | -177.7 | -63.7 | -178.8 | 0 | 0 | 0 | 113.7 | I125 I161 I165 P167 S172 Q173 S174 I177 F208 | I125-L170 HydrophobicContact CD1-CD2 4.32Å; I125-L170 HydrophobicContact CG2-CD2 4.43Å; I161-L170 HydrophobicContact CG2-CD1 4.01Å; I161-L170 HydrophobicContact CG2-CD2 4.1Å; I165-L170 HydrophobicContact CB-CD1 4.06Å; I165-L170 HydrophobicContact CB-CG 4.26Å; I165-L170 HydrophobicContact CD1-CD2 4.49Å; I165-L170 HydrophobicContact CG2-CD1 4.32Å; I165-L170 HydrophobicContact CG2-CD2 4.25Å; I165-L170 HydrophobicContact CG2-CG 3.96Å; P167-L170 PolarHBondContact O-N 2.85Å; L170-S172 PolarHBondContact O-N 3.38Å; L170-S172 VanDerWaalsContact O-N 3.08Å; L170-Q173 CarbonylContact O-C 3.58Å; L170-Q173 WeakPolarHBondContact O-CA 3.46Å; L170-Q173 PolarHBondContact O-N 2.95Å; L170-S174 PolarHBondContact O-N 2.96Å; L170-I177 HydrophobicContact CB-CD1 4.48Å; L170-F208 HydrophobicContact CB-CD1 4.24Å; L170-F208 HydrophobicContact CB-CD2 4.15Å; L170-F208 HydrophobicContact CB-CE1 4.24Å; L170-F208 HydrophobicContact CB-CE2 4.16Å; L170-F208 HydrophobicContact CB-CG 4.19Å; L170-F208 HydrophobicContact CB-CZ 4.19Å; L170-F208 HydrophobicContact CD1-CD1 4.44Å; L170-F208 HydrophobicContact CD1-CE1 3.82Å; L170-F208 HydrophobicContact CD1-CZ 3.97Å |
| 171 | A | 86.9 | Confident | 90.1 | Very high | 45 Ų | 45 | 41 Ų | 41 | 37% | 0.372 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -51.9 | -35.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P167 Q173 S174 F208 | P167-A171 PolarHBondContact O-N 3.17Å; A171-Q173 PolarHBondContact O-N 3.3Å; A171-S174 WeakPolarHBondContact O-CB 3.47Å; A171-S174 PolarHBondContact O-N 3.44Å; A171-S174 PolarHBondContact O-OG 3.41Å; A171-F208 HydrophobicContact CB-CB 4.39Å |
| 172 | S | 86.9 | Confident | 90.1 | Very high | 106 Ų | 106 | 41.3 Ų | 41.3 | 74% | 0.741 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -68.6 | -18.7 | 177.8 | 66.7 | 0 | 0 | 0 | 0 | 114.5 | L170 | L170-S172 PolarHBondContact O-N 3.38Å; L170-S172 VanDerWaalsContact O-N 3.08Å |
| 173 | Q | 86.3 | Confident | 90.1 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -111.6 | 6.7 | -177.8 | -62 | 179.4 | -3 | 0 | 0 | 112.3 | L170 A171 N175 A176 I177 | L170-Q173 CarbonylContact O-C 3.58Å; L170-Q173 WeakPolarHBondContact O-CA 3.46Å; L170-Q173 PolarHBondContact O-N 2.95Å; A171-Q173 PolarHBondContact O-N 3.3Å; Q173-N175 VanDerWaalsContact C-N 3.31Å; Q173-N175 PolarHBondContact O-N 2.89Å; Q173-A176 PolarHBondContact O-N 3.17Å; Q173-A176 VanDerWaalsContact O-N 3.11Å; Q173-I177 HydrophobicContact CB-CD1 4.22Å; Q173-I177 WeakPolarHBondContact O-CG1 3.41Å; Q173-I177 PolarHBondContact O-N 3.26Å; Q173-I177 VanDerWaalsContact O-N 3.16Å |
| 174 | S | 89.4 | Confident | 90.2 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.028 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.5 | -43.7 | -174.8 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | L170 A171 A176 I177 L178 N212 | L170-S174 PolarHBondContact O-N 2.96Å; A171-S174 WeakPolarHBondContact O-CB 3.47Å; A171-S174 PolarHBondContact O-N 3.44Å; A171-S174 PolarHBondContact O-OG 3.41Å; S174-A176 VanDerWaalsContact C-N 3.34Å; S174-A176 PolarHBondContact O-N 3.49Å; S174-I177 PolarHBondContact O-N 3.1Å; S174-L178 WeakPolarHBondContact O-CB 3.46Å; S174-L178 WeakPolarHBondContact O-CG 3.25Å; S174-L178 PolarHBondContact O-N 3.32Å; S174-N212 VanDerWaalsContact CB-OD1 3.32Å; S174-N212 WeakPolarHBondContact CB-OD1 3.33Å; S174-N212 PolarHBondContact OG-OD1 2.95Å |
| 175 | N | 89.8 | Confident | 90.5 | Very high | 79 Ų | 79 | 36.5 Ų | 36.5 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 179.4 | -71.6 | -17.6 | 0 | 0 | 0 | 112.9 | Q173 T179 N212 | Q173-N175 VanDerWaalsContact C-N 3.31Å; Q173-N175 PolarHBondContact O-N 2.89Å; N175-T179 WeakPolarHBondContact O-CB 3.46Å; N175-T179 PolarHBondContact O-N 3Å; N175-T179 PolarHBondContact O-OG1 3.44Å; N175-N212 PolarHBondContact OD1-ND2 3.49Å |
| 176 | A | 90.8 | Very high | 90.7 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.7 | -46.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V138 Q173 S174 T179 A180 | V138-A176 HydrophobicContact CG2-CB 4.1Å; V138-A176 WeakPolarHBondContact CG2-O 3.47Å; Q173-A176 PolarHBondContact O-N 3.17Å; Q173-A176 VanDerWaalsContact O-N 3.11Å; S174-A176 VanDerWaalsContact C-N 3.34Å; S174-A176 PolarHBondContact O-N 3.49Å; A176-T179 WeakPolarHBondContact O-CB 3.47Å; A176-T179 PolarHBondContact O-N 3.34Å; A176-A180 PolarHBondContact O-N 2.64Å |
| 177 | I | 92.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.2 | -51.9 | 177.3 | -67.4 | 169.4 | 0 | 0 | 0 | 110.5 | M134 I158 L170 Q173 S174 T179 A180 I181 F208 | M134-I177 HydrophobicContact CG-CG1 4.39Å; M134-I177 HydrophobicContact SD-CD1 4.15Å; M134-I177 HydrophobicContact SD-CG1 3.91Å; I158-I177 HydrophobicContact CG2-CG2 3.86Å; L170-I177 HydrophobicContact CB-CD1 4.48Å; Q173-I177 HydrophobicContact CB-CD1 4.22Å; Q173-I177 WeakPolarHBondContact O-CG1 3.41Å; Q173-I177 PolarHBondContact O-N 3.26Å; Q173-I177 VanDerWaalsContact O-N 3.16Å; S174-I177 PolarHBondContact O-N 3.1Å; I177-T179 VanDerWaalsContact C-N 3.31Å; I177-T179 PolarHBondContact O-N 2.94Å; I177-A180 PolarHBondContact O-N 3.05Å; I177-I181 HydrophobicContact CG2-CD1 3.59Å; I177-I181 HydrophobicContact CG2-CG1 4.4Å; I177-I181 WeakPolarHBondContact O-CG1 2.84Å; I177-I181 PolarHBondContact O-N 2.97Å; I177-F208 HydrophobicContact CD1-CE2 4.23Å |
| 178 | L | 93.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 178.3 | -76.4 | 177.4 | 0 | 0 | 0 | 112.6 | S174 A180 I181 V182 L202 T209 N212 I222 | S174-L178 WeakPolarHBondContact O-CB 3.46Å; S174-L178 WeakPolarHBondContact O-CG 3.25Å; S174-L178 PolarHBondContact O-N 3.32Å; L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 3.41Å; L178-I181 PolarHBondContact O-N 3.31Å; L178-V182 VanDerWaalsContact O-CB 3.26Å; L178-V182 WeakPolarHBondContact O-CB 3.47Å; L178-V182 VanDerWaalsContact O-CG2 3.23Å; L178-V182 WeakPolarHBondContact O-CG2 3.49Å; L178-V182 PolarHBondContact O-N 3.24Å; L178-L202 HydrophobicContact CD2-CD1 3.76Å; L178-T209 HydrophobicContact CD1-CG2 3.8Å; L178-T209 HydrophobicContact CD2-CG2 3.86Å; L178-T209 HydrophobicContact CG-CG2 4Å; L178-N212 HydrophobicContact CD1-CB 3.69Å; L178-I222 HydrophobicContact CD1-CD1 4.03Å |
| 179 | T | 92.7 | Very high | 91.8 | Very high | 78 Ų | 78 | 43.7 Ų | 43.7 | 48% | 0.479 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 176.3 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | I142 N175 A176 I177 C183 | I142-T179 HydrophobicContact CG2-CG2 4.43Å; N175-T179 WeakPolarHBondContact O-CB 3.46Å; N175-T179 PolarHBondContact O-N 3Å; N175-T179 PolarHBondContact O-OG1 3.44Å; A176-T179 WeakPolarHBondContact O-CB 3.47Å; A176-T179 PolarHBondContact O-N 3.34Å; I177-T179 VanDerWaalsContact C-N 3.31Å; I177-T179 PolarHBondContact O-N 2.94Å; T179-C183 WeakPolarHBondContact O-CB 3.48Å; T179-C183 PolarHBondContact O-N 2.97Å; T179-C183 VanDerWaalsContact O-N 3.11Å |
| 180 | A | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.8 | -48.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V138 V141 I158 A176 I177 L178 C183 G184 | V138-A180 HydrophobicContact CB-CB 4.33Å; V138-A180 HydrophobicContact CG1-CB 4.35Å; V138-A180 HydrophobicContact CG2-CB 3.94Å; V141-A180 HydrophobicContact CB-CB 4.08Å; V141-A180 HydrophobicContact CG1-CB 4.35Å; V141-A180 WeakPolarHBondContact CG1-O 3.43Å; V141-A180 HydrophobicContact CG2-CB 4.29Å; I158-A180 HydrophobicContact CD1-CB 4.03Å; A176-A180 PolarHBondContact O-N 2.64Å; I177-A180 PolarHBondContact O-N 3.05Å; L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 3.41Å; A180-C183 PolarHBondContact O-N 2.87Å; A180-G184 PolarHBondContact O-N 3.47Å; A180-G184 VanDerWaalsContact O-N 3.08Å |
| 181 | I | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -55.4 | -180 | -70.9 | 173.8 | 0 | 0 | 0 | 110.6 | L155 I158 I177 L178 C183 G184 M185 A198 A201 L202 | L155-I181 HydrophobicContact CD2-CG1 4.49Å; I158-I181 HydrophobicContact CG2-CD1 3.96Å; I158-I181 HydrophobicContact CG2-CG1 4.09Å; I177-I181 HydrophobicContact CG2-CD1 3.59Å; I177-I181 HydrophobicContact CG2-CG1 4.4Å; I177-I181 WeakPolarHBondContact O-CG1 2.84Å; I177-I181 PolarHBondContact O-N 2.97Å; L178-I181 PolarHBondContact O-N 3.31Å; I181-C183 VanDerWaalsContact C-N 3.28Å; I181-C183 PolarHBondContact O-N 2.97Å; I181-G184 PolarHBondContact O-N 2.74Å; I181-M185 HydrophobicContact CG2-SD 3.98Å; I181-M185 WeakPolarHBondContact O-CG 3.48Å; I181-M185 PolarHBondContact O-N 3.1Å; I181-M185 VanDerWaalsContact O-N 3.11Å; I181-A198 WeakPolarHBondContact CG2-O 3.33Å; I181-A201 HydrophobicContact CD1-CB 4.07Å; I181-A201 HydrophobicContact CG1-CB 4.01Å; I181-L202 HydrophobicContact CG2-CB 3.58Å; I181-L202 HydrophobicContact CG2-CD1 4Å; I181-L202 HydrophobicContact CG2-CG 4.33Å |
| 182 | V | 94.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -34.9 | -177.4 | 177.9 | 0 | 0 | 0 | 0 | 111 | L178 G184 M185 K186 Y221 V225 | L178-V182 VanDerWaalsContact O-CB 3.26Å; L178-V182 WeakPolarHBondContact O-CB 3.47Å; L178-V182 VanDerWaalsContact O-CG2 3.23Å; L178-V182 WeakPolarHBondContact O-CG2 3.49Å; L178-V182 PolarHBondContact O-N 3.24Å; V182-G184 VanDerWaalsContact C-N 3.33Å; V182-G184 PolarHBondContact O-N 3.38Å; V182-M185 PolarHBondContact O-N 3.28Å; V182-K186 WeakPolarHBondContact O-CG 3.29Å; V182-K186 PolarHBondContact O-N 2.95Å; V182-Y221 HydrophobicContact CB-CE1 4.48Å; V182-Y221 HydrophobicContact CG1-CD1 3.83Å; V182-Y221 HydrophobicContact CG1-CE1 3.38Å; V182-V225 HydrophobicContact CG1-CB 4.17Å; V182-V225 HydrophobicContact CG1-CG1 4.16Å; V182-V225 HydrophobicContact CG1-CG2 3.78Å |
| 183 | C | 93.7 | Very high | 93.1 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 25% | 0.25 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 172.8 | -170 | 0 | 0 | 0 | 0 | 112.7 | I142 T179 A180 I181 M185 | I142-C183 HydrophobicContact CG2-CB 4.39Å; T179-C183 WeakPolarHBondContact O-CB 3.48Å; T179-C183 PolarHBondContact O-N 2.97Å; T179-C183 VanDerWaalsContact O-N 3.11Å; A180-C183 PolarHBondContact O-N 2.87Å; I181-C183 VanDerWaalsContact C-N 3.28Å; I181-C183 PolarHBondContact O-N 2.97Å; C183-M185 VanDerWaalsContact C-N 3.34Å |
| 184 | G | 95 | Very high | 93.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.5 | -23.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A180 I181 V182 R195 A198 | A180-G184 PolarHBondContact O-N 3.47Å; A180-G184 VanDerWaalsContact O-N 3.08Å; I181-G184 PolarHBondContact O-N 2.74Å; V182-G184 VanDerWaalsContact C-N 3.33Å; V182-G184 PolarHBondContact O-N 3.38Å; G184-R195 WeakPolarHBondContact O-CA 3.35Å; G184-R195 WeakPolarHBondContact O-CG 3.27Å; G184-A198 VanDerWaalsContact C-CB 3.44Å |
| 185 | M | 97.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -83.7 | -22.8 | -179.2 | -69.5 | 179.7 | 67.7 | 0 | 0 | 114.3 | I181 V182 C183 R195 A198 T199 L202 V225 V226 | I181-M185 HydrophobicContact CG2-SD 3.98Å; I181-M185 WeakPolarHBondContact O-CG 3.48Å; I181-M185 PolarHBondContact O-N 3.1Å; I181-M185 VanDerWaalsContact O-N 3.11Å; V182-M185 PolarHBondContact O-N 3.28Å; C183-M185 VanDerWaalsContact C-N 3.34Å; M185-R195 PolarHBondContact O-NE 3.47Å; M185-A198 HydrophobicContact CB-CB 4.41Å; M185-A198 HydrophobicContact CG-CB 3.51Å; M185-T199 HydrophobicContact CE-CG2 3.91Å; M185-L202 HydrophobicContact CE-CD2 3.8Å; M185-L202 HydrophobicContact SD-CB 3.85Å; M185-L202 HydrophobicContact SD-CD2 3.64Å; M185-L202 HydrophobicContact SD-CG 4.31Å; M185-V225 HydrophobicContact CB-CG1 3.49Å; M185-V225 VanDerWaalsContact CB-CG1 3.49Å; M185-V225 HydrophobicContact CE-CG1 4.31Å; M185-V225 HydrophobicContact SD-CG1 4.5Å; M185-V226 HydrophobicContact CE-CG2 4.12Å |
| 186 | K | 94.1 | Very high | 94.3 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 27% | 0.274 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -46.9 | 144 | -175.7 | -81.5 | 177.1 | -169.4 | -171.2 | 0 | 113.1 | V182 E188 E189 Y221 | V182-K186 WeakPolarHBondContact O-CG 3.29Å; V182-K186 PolarHBondContact O-N 2.95Å; K186-E188 WeakPolarHBondContact CB-OE2 3.48Å; K186-E188 PolarHBondContact O-N 3.48Å; K186-E189 WeakPolarHBondContact O-CB 3.35Å; K186-E189 PolarHBondContact O-N 3.39Å; K186-Y221 WeakPolarHBondContact CE-OH 3.39Å; K186-Y221 PolarHBondContact NZ-OH 3.5Å; K186-Y221 VanDerWaalsContact NZ-OH 3.09Å |
| 187 | K | 92 | Very high | 94.6 | Very high | 156 Ų | 156 | 39.2 Ų | 39.2 | 68% | 0.678 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.2 | 176.9 | -171.2 | 177.1 | 179 | 178.1 | 0 | 112.8 | E189 | K187-E189 VanDerWaalsContact C-N 3.29Š|
| 188 | E | 92 | Very high | 94.8 | Very high | 147 Ų | 147 | 39.1 Ų | 39.1 | 69% | 0.687 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -16 | 175.8 | -61.6 | 74.4 | -156 | 0 | 0 | 113.7 | K186 P190 | K186-E188 WeakPolarHBondContact CB-OE2 3.48Å; K186-E188 PolarHBondContact O-N 3.48Å; E188-P190 VanDerWaalsContact O-CD 3.26Å; E188-P190 WeakPolarHBondContact O-CD 3.21Å |
| 189 | E | 93.7 | Very high | 95.1 | Very high | 24 Ų | 24 | 38.7 Ų | 38.7 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | trans | -71 | 116.3 | 176 | 176.9 | 54.4 | -118.6 | 0 | 0 | 109.6 | K151 K186 K187 S191 V194 R195 | K151-E189 IonicContact NZ-OE2 2.95Å; K151-E189 PolarHBondContact NZ-OE2 3.25Å; K186-E189 WeakPolarHBondContact O-CB 3.35Å; K186-E189 PolarHBondContact O-N 3.39Å; K187-E189 VanDerWaalsContact C-N 3.29Å; E189-S191 VanDerWaalsContact C-N 3.3Å; E189-S191 PolarHBondContact O-N 3.28Å; E189-S191 PolarHBondContact OE1-N 3.3Å; E189-V194 HydrophobicContact CG-CB 3.97Å; E189-V194 HydrophobicContact CG-CG1 3.75Å; E189-R195 HydrophobicContact CB-CG 3.91Å; E189-R195 HydrophobicContact CG-CG 3.91Å; E189-R195 WeakPolarHBondContact O-CD 3.33Å | ||
| 190 | P | 92.6 | Very high | 95.3 | Very high | 122 Ų | 122 | 38.1 Ų | 38.1 | 79% | 0.792 | 20% | 0.201 | S | C | * | . | trans | -70.8 | -22.4 | -174 | 27.2 | -37.7 | 0 | 0 | 0 | 114.1 | E188 | E188-P190 VanDerWaalsContact O-CD 3.26Å; E188-P190 WeakPolarHBondContact O-CD 3.21Å | ||
| 191 | S | 94.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 8% | 0.077 | 20% | 0.202 | C | C | . | . | trans | -92.1 | 117 | -177.6 | 172.5 | 0 | 0 | 0 | 0 | 112.2 | E148 E189 S193 V194 R195 | E148-S191 WeakPolarHBondContact CG-OG 3.42Å; E148-S191 WeakPolarHBondContact OE1-CB 3.29Å; E148-S191 PolarHBondContact OE1-OG 3.43Å; E189-S191 VanDerWaalsContact C-N 3.3Å; E189-S191 PolarHBondContact O-N 3.28Å; E189-S191 PolarHBondContact OE1-N 3.3Å; S191-S193 PolarHBondContact O-N 3.19Å; S191-S193 PolarHBondContact OG-N 3.3Å; S191-S193 VanDerWaalsContact OG-N 3.14Å; S191-S193 PolarHBondContact OG-OG 3.11Å; S191-V194 PolarHBondContact O-N 3.26Å; S191-V194 PolarHBondContact OG-N 3.11Å; S191-V194 VanDerWaalsContact OG-N 3.17Å; S191-R195 WeakPolarHBondContact O-CG 3.03Å; S191-R195 PolarHBondContact O-N 3.4Å | ||
| 192 | D | 95.4 | Very high | 95.5 | Very high | 62 Ų | 62 | 38.2 Ų | 38.2 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.8 | -30.6 | 169.2 | -81.5 | -9.4 | 0 | 0 | 0 | 112.4 | R195 L196 N234 I237 | D192-R195 PolarHBondContact O-N 3.46Å; D192-R195 IonicContact OD1-NH1 2.76Å; D192-L196 VanDerWaalsContact O-CB 3.25Å; D192-L196 WeakPolarHBondContact O-CB 3.48Å; D192-L196 PolarHBondContact O-N 3.12Å; D192-N234 WeakPolarHBondContact OD2-CB 3.36Å; D192-N234 PolarHBondContact OD2-ND2 3.48Å; D192-I237 HydrophobicContact CB-CD1 3.95Å |
| 193 | S | 94 | Very high | 95.6 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.1 | -38.4 | 179.1 | 82.1 | 0 | 0 | 0 | 0 | 111.7 | E148 S191 A197 | E148-S193 PolarHBondContact OE1-OG 2.89Å; S191-S193 PolarHBondContact O-N 3.19Å; S191-S193 PolarHBondContact OG-N 3.3Å; S191-S193 VanDerWaalsContact OG-N 3.14Å; S191-S193 PolarHBondContact OG-OG 3.11Å; S193-A197 WeakPolarHBondContact O-CB 3.44Å; S193-A197 PolarHBondContact O-N 3.07Å; S193-A197 VanDerWaalsContact O-N 3.08Å |
| 194 | V | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 173.2 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | E148 K151 R152 L155 E189 S191 L196 A197 A198 | E148-V194 HydrophobicContact CG-CG2 3.81Å; K151-V194 HydrophobicContact CB-CG1 4.02Å; K151-V194 HydrophobicContact CB-CG2 3.94Å; K151-V194 HydrophobicContact CD-CG1 4.31Å; R152-V194 HydrophobicContact CB-CG2 4.24Å; L155-V194 HydrophobicContact CD1-CG1 3.74Å; E189-V194 HydrophobicContact CG-CB 3.97Å; E189-V194 HydrophobicContact CG-CG1 3.75Å; S191-V194 PolarHBondContact O-N 3.26Å; S191-V194 PolarHBondContact OG-N 3.11Å; S191-V194 VanDerWaalsContact OG-N 3.17Å; V194-L196 PolarHBondContact O-N 3.24Å; V194-A197 PolarHBondContact O-N 3.46Å; V194-A198 WeakPolarHBondContact O-CB 3.44Å; V194-A198 PolarHBondContact O-N 3.2Å |
| 195 | R | 97.5 | Very high | 95.6 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.4 | -70.4 | 179.9 | 68.3 | -139.8 | -2.3 | 112.4 | G184 M185 E189 S191 D192 A198 T199 S232 I237 | G184-R195 WeakPolarHBondContact O-CA 3.35Å; G184-R195 WeakPolarHBondContact O-CG 3.27Å; M185-R195 PolarHBondContact O-NE 3.47Å; E189-R195 HydrophobicContact CB-CG 3.91Å; E189-R195 HydrophobicContact CG-CG 3.91Å; E189-R195 WeakPolarHBondContact O-CD 3.33Å; S191-R195 WeakPolarHBondContact O-CG 3.03Å; S191-R195 PolarHBondContact O-N 3.4Å; D192-R195 PolarHBondContact O-N 3.46Å; D192-R195 IonicContact OD1-NH1 2.76Å; R195-A198 PolarHBondContact O-N 2.95Å; R195-T199 WeakPolarHBondContact O-CB 3.31Å; R195-T199 PolarHBondContact O-N 2.98Å; R195-T199 PolarHBondContact O-OG1 3.1Å; R195-S232 PolarHBondContact NH1-OG 3.32Å; R195-I237 HydrophobicContact CB-CD1 3.73Å |
| 196 | L | 97.2 | Very high | 95.5 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 20% | 0.199 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -49 | 175.8 | -179.3 | 60.4 | 0 | 0 | 0 | 111.4 | D192 V194 A198 T199 N200 Q236 I237 A240 | D192-L196 VanDerWaalsContact O-CB 3.25Å; D192-L196 WeakPolarHBondContact O-CB 3.48Å; D192-L196 PolarHBondContact O-N 3.12Å; V194-L196 PolarHBondContact O-N 3.24Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.08Å; L196-T199 PolarHBondContact O-N 3.07Å; L196-N200 PolarHBondContact O-N 3.09Å; L196-N200 PolarHBondContact O-ND2 3.34Å; L196-Q236 HydrophobicContact CD1-CB 4.11Å; L196-Q236 HydrophobicContact CD2-CB 4.08Å; L196-I237 HydrophobicContact CB-CG1 4.16Å; L196-A240 HydrophobicContact CD1-CB 4.01Å |
| 197 | A | 96.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | R152 L155 E156 S193 V194 A201 | R152-A197 HydrophobicContact CG-CB 4.17Å; L155-A197 HydrophobicContact CB-CB 3.99Å; E156-A197 HydrophobicContact CG-CB 4.29Å; S193-A197 WeakPolarHBondContact O-CB 3.44Å; S193-A197 PolarHBondContact O-N 3.07Å; S193-A197 VanDerWaalsContact O-N 3.08Å; V194-A197 PolarHBondContact O-N 3.46Å; A197-A201 WeakPolarHBondContact O-CB 3.25Å; A197-A201 PolarHBondContact O-N 3.49Å |
| 198 | A | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L155 I181 G184 M185 V194 R195 L196 A201 L202 | L155-A198 HydrophobicContact CD1-CB 3.84Å; L155-A198 HydrophobicContact CD2-CB 4.13Å; I181-A198 WeakPolarHBondContact CG2-O 3.33Å; G184-A198 VanDerWaalsContact C-CB 3.44Å; M185-A198 HydrophobicContact CB-CB 4.41Å; M185-A198 HydrophobicContact CG-CB 3.51Å; V194-A198 WeakPolarHBondContact O-CB 3.44Å; V194-A198 PolarHBondContact O-N 3.2Å; R195-A198 PolarHBondContact O-N 2.95Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.08Å; A198-A201 PolarHBondContact O-N 3.49Å; A198-L202 PolarHBondContact O-N 3.37Å |
| 199 | T | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | -179.7 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | M185 R195 L196 A201 L202 L203 A240 A241 C244 | M185-T199 HydrophobicContact CE-CG2 3.91Å; R195-T199 WeakPolarHBondContact O-CB 3.31Å; R195-T199 PolarHBondContact O-N 2.98Å; R195-T199 PolarHBondContact O-OG1 3.1Å; L196-T199 PolarHBondContact O-N 3.07Å; T199-A201 VanDerWaalsContact C-N 3.35Å; T199-L202 WeakPolarHBondContact O-CB 3.44Å; T199-L202 PolarHBondContact O-N 2.81Å; T199-L203 PolarHBondContact O-N 3.41Å; T199-L203 VanDerWaalsContact O-N 3.12Å; T199-A240 VanDerWaalsContact CG2-C 3.48Å; T199-A240 HydrophobicContact CG2-CB 3.6Å; T199-A241 HydrophobicContact CG2-CB 4.09Å; T199-C244 PolarHBondContact O-SG 3.48Å |
| 200 | N | 97.5 | Very high | 95.1 | Very high | 65 Ų | 65 | 33 Ų | 33 | 35% | 0.348 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 173.6 | -69.5 | -21.9 | 0 | 0 | 0 | 112 | L196 L202 L203 N204 A240 | L196-N200 PolarHBondContact O-N 3.09Å; L196-N200 PolarHBondContact O-ND2 3.34Å; N200-L202 VanDerWaalsContact C-N 3.32Å; N200-L202 PolarHBondContact O-N 3.17Å; N200-L203 WeakPolarHBondContact O-CB 3.46Å; N200-L203 PolarHBondContact O-N 3.46Å; N200-N204 PolarHBondContact O-N 3.42Å; N200-A240 WeakPolarHBondContact OD1-CB 3.42Å |
| 201 | A | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -36.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | I158 I181 A197 A198 T199 N204 S205 | I158-A201 HydrophobicContact CG2-CB 4.49Å; I181-A201 HydrophobicContact CD1-CB 4.07Å; I181-A201 HydrophobicContact CG1-CB 4.01Å; A197-A201 WeakPolarHBondContact O-CB 3.25Å; A197-A201 PolarHBondContact O-N 3.49Å; A198-A201 PolarHBondContact O-N 3.49Å; T199-A201 VanDerWaalsContact C-N 3.35Å; A201-N204 PolarHBondContact O-N 3.44Å; A201-S205 WeakPolarHBondContact O-CB 3.42Å; A201-S205 PolarHBondContact O-N 2.77Å; A201-S205 VanDerWaalsContact O-N 3.11Å; A201-S205 PolarHBondContact O-OG 3.46Å |
| 202 | L | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -50.2 | 173.4 | -175.9 | 64.2 | 0 | 0 | 0 | 110.5 | L178 I181 M185 A198 T199 N200 N204 S205 L206 V226 C244 | L178-L202 HydrophobicContact CD2-CD1 3.76Å; I181-L202 HydrophobicContact CG2-CB 3.58Å; I181-L202 HydrophobicContact CG2-CD1 4Å; I181-L202 HydrophobicContact CG2-CG 4.33Å; M185-L202 HydrophobicContact CE-CD2 3.8Å; M185-L202 HydrophobicContact SD-CB 3.85Å; M185-L202 HydrophobicContact SD-CD2 3.64Å; M185-L202 HydrophobicContact SD-CG 4.31Å; A198-L202 PolarHBondContact O-N 3.37Å; T199-L202 WeakPolarHBondContact O-CB 3.44Å; T199-L202 PolarHBondContact O-N 2.81Å; N200-L202 VanDerWaalsContact C-N 3.32Å; N200-L202 PolarHBondContact O-N 3.17Å; L202-N204 PolarHBondContact O-N 2.82Å; L202-S205 WeakPolarHBondContact CA-OG 3.46Å; L202-S205 WeakPolarHBondContact O-CA 3.34Å; L202-S205 PolarHBondContact O-N 2.75Å; L202-S205 PolarHBondContact O-OG 3.48Å; L202-L206 HydrophobicContact CD1-CD2 4.33Å; L202-L206 HydrophobicContact CG-CD2 4.43Å; L202-L206 WeakPolarHBondContact O-CG 3.41Å; L202-L206 PolarHBondContact O-N 2.77Å; L202-V226 HydrophobicContact CD2-CG2 3.32Å; L202-C244 HydrophobicContact CD2-CB 4.47Å |
| 203 | L | 97.3 | Very high | 95 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 17% | 0.173 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -52 | -44.3 | 179.9 | -177.2 | 63.4 | 0 | 0 | 0 | 112.2 | T199 N200 S205 Q243 K247 | T199-L203 PolarHBondContact O-N 3.41Å; T199-L203 VanDerWaalsContact O-N 3.12Å; N200-L203 WeakPolarHBondContact O-CB 3.46Å; N200-L203 PolarHBondContact O-N 3.46Å; L203-S205 VanDerWaalsContact C-N 3.31Å; L203-S205 PolarHBondContact O-N 3.33Å; L203-Q243 HydrophobicContact CD1-CB 4.23Å; L203-Q243 HydrophobicContact CD2-CB 4.05Å; L203-K247 HydrophobicContact CD1-CB 3.82Å; L203-K247 HydrophobicContact CD1-CD 3.79Å; L203-K247 HydrophobicContact CD1-CG 4.41Å |
| 204 | N | 94.5 | Very high | 95.1 | Very high | 40 Ų | 40 | 30.8 Ų | 30.8 | 21% | 0.214 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.3 | -20.8 | 178 | -69.5 | -10.1 | 0 | 0 | 0 | 113.5 | G159 C162 Q163 N200 A201 L202 | G159-N204 WeakPolarHBondContact O-CB 3.42Å; G159-N204 PolarHBondContact O-ND2 2.69Å; C162-N204 HydrophobicContact CB-CB 3.93Å; C162-N204 WeakPolarHBondContact CB-O 3.32Å; Q163-N204 HydrophobicContact CB-CB 4.32Å; Q163-N204 PolarHBondContact OE1-ND2 2.79Å; N200-N204 PolarHBondContact O-N 3.42Å; A201-N204 PolarHBondContact O-N 3.44Å; L202-N204 PolarHBondContact O-N 2.82Å |
| 205 | S | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -88.6 | -18.1 | -177.5 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | A201 L202 L203 E207 F208 T209 | A201-S205 WeakPolarHBondContact O-CB 3.42Å; A201-S205 PolarHBondContact O-N 2.77Å; A201-S205 VanDerWaalsContact O-N 3.11Å; A201-S205 PolarHBondContact O-OG 3.46Å; L202-S205 WeakPolarHBondContact CA-OG 3.46Å; L202-S205 WeakPolarHBondContact O-CA 3.34Å; L202-S205 PolarHBondContact O-N 2.75Å; L202-S205 PolarHBondContact O-OG 3.48Å; L203-S205 VanDerWaalsContact C-N 3.31Å; L203-S205 PolarHBondContact O-N 3.33Å; S205-E207 PolarHBondContact O-N 3.09Å; S205-E207 VanDerWaalsContact O-N 3.09Å; S205-F208 WeakPolarHBondContact O-CD1 3.37Å; S205-F208 WeakPolarHBondContact O-CE1 3.46Å; S205-F208 PolarHBondContact O-N 3.35Å; S205-T209 VanDerWaalsContact O-CG2 3.26Å; S205-T209 WeakPolarHBondContact O-CG2 3.39Å |
| 206 | L | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -57.3 | -33 | -167.7 | -73.2 | 167.6 | 0 | 0 | 0 | 113.6 | L202 F208 T209 F213 K247 I248 L251 Y252 | L202-L206 HydrophobicContact CD1-CD2 4.33Å; L202-L206 HydrophobicContact CG-CD2 4.43Å; L202-L206 WeakPolarHBondContact O-CG 3.41Å; L202-L206 PolarHBondContact O-N 2.77Å; L206-F208 VanDerWaalsContact C-N 3.26Å; L206-F208 PolarHBondContact O-N 2.9Å; L206-F208 VanDerWaalsContact O-N 3.15Å; L206-T209 WeakPolarHBondContact CA-OG1 3.36Å; L206-T209 PolarHBondContact O-N 2.89Å; L206-T209 VanDerWaalsContact O-N 3.08Å; L206-T209 PolarHBondContact O-OG1 3.18Å; L206-F213 HydrophobicContact CD2-CE2 4.06Å; L206-F213 HydrophobicContact CD2-CZ 4.39Å; L206-K247 HydrophobicContact CB-CD 4.49Å; L206-K247 HydrophobicContact CB-CG 4.44Å; L206-K247 HydrophobicContact CD1-CB 3.8Å; L206-K247 HydrophobicContact CD1-CD 4.21Å; L206-K247 HydrophobicContact CD1-CG 3.88Å; L206-I248 HydrophobicContact CD1-CG1 3.8Å; L206-I248 HydrophobicContact CD2-CD1 4.15Å; L206-I248 HydrophobicContact CD2-CG1 3.69Å; L206-I248 HydrophobicContact CG-CG1 4.4Å; L206-L251 HydrophobicContact CB-CD1 3.85Å; L206-Y252 PolarHBondContact O-OH 3.04Å |
| 207 | E | 90.4 | Very high | 94.9 | Very high | 106 Ų | 106 | 41.6 Ų | 41.6 | 50% | 0.495 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -60.5 | -27.5 | -175.4 | -71.4 | 173.6 | -152.3 | 0 | 0 | 114.7 | P167 S205 K247 L251 | P167-E207 HydrophobicContact CB-CB 4.25Å; P167-E207 HydrophobicContact CG-CB 3.98Å; S205-E207 PolarHBondContact O-N 3.09Å; S205-E207 VanDerWaalsContact O-N 3.09Å; E207-K247 WeakPolarHBondContact OE1-CE 3.39Å; E207-K247 IonicContact OE1-NZ 2.77Å; E207-K247 PolarHBondContact OE1-NZ 2.87Å; E207-L251 HydrophobicContact CG-CD1 4.25Å |
| 208 | F | 89.5 | Confident | 94.8 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -108.7 | 14.1 | 177.5 | 52.8 | -94.6 | 0 | 0 | 0 | 113.9 | C162 P167 L170 A171 I177 S205 L206 | C162-F208 HydrophobicContact CB-CE1 3.87Å; C162-F208 HydrophobicContact CB-CZ 3.89Å; C162-F208 VanDerWaalsContact SG-CZ 3.59Å; P167-F208 HydrophobicContact CB-CB 3.78Å; P167-F208 HydrophobicContact CB-CD1 3.92Å; P167-F208 HydrophobicContact CB-CG 4.34Å; P167-F208 WeakPolarHBondContact O-CB 3.46Å; L170-F208 HydrophobicContact CB-CD1 4.24Å; L170-F208 HydrophobicContact CB-CD2 4.15Å; L170-F208 HydrophobicContact CB-CE1 4.24Å; L170-F208 HydrophobicContact CB-CE2 4.16Å; L170-F208 HydrophobicContact CB-CG 4.19Å; L170-F208 HydrophobicContact CB-CZ 4.19Å; L170-F208 HydrophobicContact CD1-CD1 4.44Å; L170-F208 HydrophobicContact CD1-CE1 3.82Å; L170-F208 HydrophobicContact CD1-CZ 3.97Å; A171-F208 HydrophobicContact CB-CB 4.39Å; I177-F208 HydrophobicContact CD1-CE2 4.23Å; S205-F208 WeakPolarHBondContact O-CD1 3.37Å; S205-F208 WeakPolarHBondContact O-CE1 3.46Å; S205-F208 PolarHBondContact O-N 3.35Å; L206-F208 VanDerWaalsContact C-N 3.26Å; L206-F208 PolarHBondContact O-N 2.9Å; L206-F208 VanDerWaalsContact O-N 3.15Å |
| 209 | T | 91.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -96.2 | 14.3 | -178 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | L178 S205 L206 H211 N212 F213 Y252 | L178-T209 HydrophobicContact CD1-CG2 3.8Å; L178-T209 HydrophobicContact CD2-CG2 3.86Å; L178-T209 HydrophobicContact CG-CG2 4Å; S205-T209 VanDerWaalsContact O-CG2 3.26Å; S205-T209 WeakPolarHBondContact O-CG2 3.39Å; L206-T209 WeakPolarHBondContact CA-OG1 3.36Å; L206-T209 PolarHBondContact O-N 2.89Å; L206-T209 VanDerWaalsContact O-N 3.08Å; L206-T209 PolarHBondContact O-OG1 3.18Å; T209-H211 VanDerWaalsContact C-N 3.31Å; T209-H211 PolarHBondContact O-N 3.1Å; T209-N212 WeakPolarHBondContact O-CA 3.47Å; T209-N212 WeakPolarHBondContact O-CB 3.32Å; T209-N212 PolarHBondContact O-N 2.88Å; T209-F213 PolarHBondContact O-N 3.42Å; T209-Y252 VanDerWaalsContact C-OH 3.27Å; T209-Y252 PolarHBondContact OG1-OH 3.44Å; T209-Y252 VanDerWaalsContact OG1-OH 3.1Å | ||
| 210 | K | 91.2 | Very high | 94.6 | Very high | 137 Ų | 137 | 48.9 Ų | 48.9 | 60% | 0.596 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -53.5 | -46.7 | -178.3 | -176 | 169.7 | -175.6 | 163.7 | 0 | 112.4 | N212 F213 D214 Y252 | K210-N212 VanDerWaalsContact C-N 3.26Å; K210-N212 PolarHBondContact O-N 3.12Å; K210-F213 PolarHBondContact O-N 3.33Å; K210-F213 VanDerWaalsContact O-N 3.13Å; K210-D214 PolarHBondContact O-N 2.72Å; K210-Y252 HydrophobicContact CB-CE1 4.28Å; K210-Y252 HydrophobicContact CG-CE1 4.48Å; K210-Y252 PolarHBondContact N-OH 3.34Å; K210-Y252 VanDerWaalsContact N-OH 3.1Å |
| 211 | H | 92.1 | Very high | 94.5 | Very high | 118 Ų | 118 | 50.6 Ų | 50.6 | 55% | 0.546 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.2 | -36.9 | 177.8 | -175.3 | 60.2 | 0 | 0 | 0 | 112.9 | T209 D214 V215 | T209-H211 VanDerWaalsContact C-N 3.31Å; T209-H211 PolarHBondContact O-N 3.1Å; H211-D214 PolarHBondContact O-N 3.02Å; H211-V215 WeakPolarHBondContact O-CG2 3.41Å; H211-V215 PolarHBondContact O-N 3.07Å |
| 212 | N | 93.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.4 | -37.8 | 177.8 | -59.3 | 93.5 | 0 | 0 | 0 | 111.8 | S174 N175 L178 T209 K210 D214 V215 E218 R219 I222 | S174-N212 VanDerWaalsContact CB-OD1 3.32Å; S174-N212 WeakPolarHBondContact CB-OD1 3.33Å; S174-N212 PolarHBondContact OG-OD1 2.95Å; N175-N212 PolarHBondContact OD1-ND2 3.49Å; L178-N212 HydrophobicContact CD1-CB 3.69Å; T209-N212 WeakPolarHBondContact O-CA 3.47Å; T209-N212 WeakPolarHBondContact O-CB 3.32Å; T209-N212 PolarHBondContact O-N 2.88Å; K210-N212 VanDerWaalsContact C-N 3.26Å; K210-N212 PolarHBondContact O-N 3.12Å; N212-D214 VanDerWaalsContact C-N 3.33Å; N212-V215 PolarHBondContact O-N 3.13Å; N212-E218 WeakPolarHBondContact CA-OE2 3.5Å; N212-E218 PolarHBondContact ND2-OE2 3.34Å; N212-E218 WeakPolarHBondContact O-CB 3.18Å; N212-R219 PolarHBondContact O-N 3.39Å; N212-I222 HydrophobicContact CB-CD1 4.29Å |
| 213 | F | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.1 | -28.4 | 174.1 | -91 | -99.8 | 0 | 0 | 0 | 112.9 | L206 T209 K210 V215 R219 I222 M223 I248 Y252 Y255 M256 | L206-F213 HydrophobicContact CD2-CE2 4.06Å; L206-F213 HydrophobicContact CD2-CZ 4.39Å; T209-F213 PolarHBondContact O-N 3.42Å; K210-F213 PolarHBondContact O-N 3.33Å; K210-F213 VanDerWaalsContact O-N 3.13Å; F213-V215 PolarHBondContact O-N 3.18Å; F213-R219 HydrophobicContact CD1-CG 3.63Å; F213-R219 HydrophobicContact CE1-CG 4.02Å; F213-R219 HydrophobicContact CG-CG 4.27Å; F213-R219 VanDerWaalsContact O-CD 3.32Å; F213-R219 WeakPolarHBondContact O-CD 3.32Å; F213-R219 PolarHBondContact O-NH1 2.97Å; F213-I222 HydrophobicContact CD2-CD1 4.29Å; F213-I222 HydrophobicContact CE2-CD1 3.95Å; F213-I222 HydrophobicContact CE2-CG2 4.11Å; F213-I222 HydrophobicContact CZ-CG2 3.97Å; F213-M223 HydrophobicContact CE1-SD 4.19Å; F213-M223 HydrophobicContact CZ-SD 4.46Å; F213-I248 HydrophobicContact CE1-CG1 4.47Å; F213-I248 HydrophobicContact CE1-CG2 3.84Å; F213-I248 HydrophobicContact CZ-CD1 3.99Å; F213-I248 HydrophobicContact CZ-CG1 3.88Å; F213-I248 HydrophobicContact CZ-CG2 4.1Å; F213-Y252 HydrophobicContact CB-CD1 4.03Å; F213-Y252 HydrophobicContact CB-CE1 3.99Å; F213-Y252 HydrophobicContact CB-CE2 4.45Å; F213-Y252 HydrophobicContact CB-CG 4.31Å; F213-Y252 HydrophobicContact CD1-CD1 4.24Å; F213-Y252 AromaticContact CD1-CD2 3.56Å; F213-Y252 HydrophobicContact CD1-CD2 3.56Å; F213-Y252 HydrophobicContact CD1-CE2 4.05Å; F213-Y252 AromaticContact CD1-CG 3.66Å; F213-Y252 HydrophobicContact CD1-CG 3.66Å; F213-Y252 AromaticContact CD2-CD2 3.89Å; F213-Y252 HydrophobicContact CD2-CD2 3.89Å; F213-Y252 HydrophobicContact CD2-CE1 4.45Å; F213-Y252 AromaticContact CD2-CE2 3.49Å; F213-Y252 HydrophobicContact CD2-CE2 3.49Å; F213-Y252 VanDerWaalsContact CD2-CE2 3.49Å; F213-Y252 AromaticContact CD2-CZ 3.82Å; F213-Y252 AromaticContact CE1-CD2 3.62Å; F213-Y252 HydrophobicContact CE1-CD2 3.62Å; F213-Y252 HydrophobicContact CE1-CE2 4.19Å; F213-Y252 HydrophobicContact CE1-CG 4.11Å; F213-Y252 AromaticContact CE2-CD2 3.93Å; F213-Y252 HydrophobicContact CE2-CD2 3.93Å; F213-Y252 AromaticContact CE2-CE2 3.63Å; F213-Y252 HydrophobicContact CE2-CE2 3.63Å; F213-Y252 HydrophobicContact CG-CD1 4.1Å; F213-Y252 AromaticContact CG-CD2 3.72Å; F213-Y252 HydrophobicContact CG-CD2 3.72Å; F213-Y252 HydrophobicContact CG-CE1 4.15Å; F213-Y252 AromaticContact CG-CE2 3.73Å; F213-Y252 HydrophobicContact CG-CE2 3.73Å; F213-Y252 AromaticContact CG-CG 3.9Å; F213-Y252 HydrophobicContact CG-CG 3.9Å; F213-Y252 AromaticContact CG-CZ 3.95Å; F213-Y252 AromaticContact CZ-CD2 3.81Å; F213-Y252 HydrophobicContact CZ-CD2 3.81Å; F213-Y252 AromaticContact CZ-CE2 3.99Å; F213-Y252 HydrophobicContact CZ-CE2 3.99Å; F213-Y255 HydrophobicContact CB-CD2 4.48Å; F213-M256 HydrophobicContact CE1-CE 4.19Å |
| 214 | D | 94.7 | Very high | 94.4 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67 | -22.4 | 172.7 | -63.3 | -21.9 | 0 | 0 | 0 | 112.1 | K210 H211 N212 Y255 | K210-D214 PolarHBondContact O-N 2.72Å; H211-D214 PolarHBondContact O-N 3.02Å; N212-D214 VanDerWaalsContact C-N 3.33Å; D214-Y255 PolarHBondContact OD1-OH 3.08Å |
| 215 | V | 95.9 | Very high | 94.5 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -95.5 | 108.6 | 179.3 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | H211 N212 F213 N217 E218 R219 | H211-V215 WeakPolarHBondContact O-CG2 3.41Å; H211-V215 PolarHBondContact O-N 3.07Å; N212-V215 PolarHBondContact O-N 3.13Å; F213-V215 PolarHBondContact O-N 3.18Å; V215-N217 VanDerWaalsContact C-N 3.31Å; V215-N217 PolarHBondContact O-N 3.27Å; V215-N217 VanDerWaalsContact O-N 3.1Å; V215-E218 HydrophobicContact CB-CB 4.26Å; V215-E218 HydrophobicContact CB-CG 4.27Å; V215-E218 HydrophobicContact CG1-CB 4.32Å; V215-E218 HydrophobicContact CG1-CG 3.96Å; V215-E218 PolarHBondContact O-N 3.11Å; V215-R219 WeakPolarHBondContact O-CB 3.3Å; V215-R219 PolarHBondContact O-N 3.04Å |
| 216 | D | 95.1 | Very high | 94.6 | Very high | 95 Ų | 95 | 52.5 Ų | 52.5 | 51% | 0.508 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -46.7 | -46.4 | -175.4 | -71.2 | -6 | 0 | 0 | 0 | 114.7 | R219 N220 | D216-R219 IonicContact OD1-CZ 2.77Å; D216-R219 IonicContact OD1-NH1 3.77Å; D216-R219 PolarHBondContact OD1-NH1 3.19Å; D216-R219 IonicContact OD1-NH2 3.51Å; D216-R219 PolarHBondContact OD1-NH2 3.4Å; D216-N220 VanDerWaalsContact O-CB 3.25Å; D216-N220 WeakPolarHBondContact O-CB 3.19Å; D216-N220 PolarHBondContact O-N 3.09Å; D216-N220 PolarHBondContact O-ND2 3.42Å |
| 217 | N | 95.1 | Very high | 94.8 | Very high | 134 Ų | 134 | 53.3 Ų | 53.3 | 72% | 0.717 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.3 | -39.7 | -178 | -72.2 | -27.1 | 0 | 0 | 0 | 112.6 | V215 Y221 | V215-N217 VanDerWaalsContact C-N 3.31Å; V215-N217 PolarHBondContact O-N 3.27Å; V215-N217 VanDerWaalsContact O-N 3.1Å; N217-Y221 WeakPolarHBondContact O-CB 3.3Å; N217-Y221 PolarHBondContact O-N 2.8Å |
| 218 | E | 95.1 | Very high | 95.1 | Very high | 68 Ų | 68 | 51.7 Ų | 51.7 | 32% | 0.318 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.1 | -45.4 | 179.5 | -64.9 | -176.8 | -176.6 | 0 | 0 | 110.2 | N212 V215 N220 Y221 I222 | N212-E218 WeakPolarHBondContact CA-OE2 3.5Å; N212-E218 PolarHBondContact ND2-OE2 3.34Å; N212-E218 WeakPolarHBondContact O-CB 3.18Å; V215-E218 HydrophobicContact CB-CB 4.26Å; V215-E218 HydrophobicContact CB-CG 4.27Å; V215-E218 HydrophobicContact CG1-CB 4.32Å; V215-E218 HydrophobicContact CG1-CG 3.96Å; V215-E218 PolarHBondContact O-N 3.11Å; E218-N220 PolarHBondContact O-N 3.15Å; E218-Y221 WeakPolarHBondContact O-CB 3.34Å; E218-Y221 PolarHBondContact O-N 2.88Å; E218-Y221 VanDerWaalsContact O-N 3.1Å; E218-I222 WeakPolarHBondContact O-CG1 3.36Å; E218-I222 PolarHBondContact O-N 3.44Å |
| 219 | R | 96.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.3 | -51.9 | 172.4 | -169.3 | -179 | 55 | -119 | 0.5 | 111.7 | N212 F213 V215 D216 Y221 I222 M223 Y259 | N212-R219 PolarHBondContact O-N 3.39Å; F213-R219 HydrophobicContact CD1-CG 3.63Å; F213-R219 HydrophobicContact CE1-CG 4.02Å; F213-R219 HydrophobicContact CG-CG 4.27Å; F213-R219 VanDerWaalsContact O-CD 3.32Å; F213-R219 WeakPolarHBondContact O-CD 3.32Å; F213-R219 PolarHBondContact O-NH1 2.97Å; V215-R219 WeakPolarHBondContact O-CB 3.3Å; V215-R219 PolarHBondContact O-N 3.04Å; D216-R219 IonicContact OD1-CZ 2.77Å; D216-R219 IonicContact OD1-NH1 3.77Å; D216-R219 PolarHBondContact OD1-NH1 3.19Å; D216-R219 IonicContact OD1-NH2 3.51Å; D216-R219 PolarHBondContact OD1-NH2 3.4Å; R219-Y221 PolarHBondContact O-N 2.89Å; R219-I222 PolarHBondContact O-N 2.87Å; R219-M223 HydrophobicContact CG-CG 4.45Å; R219-M223 WeakPolarHBondContact O-CB 3.35Å; R219-M223 VanDerWaalsContact O-CG 3.28Å; R219-M223 WeakPolarHBondContact O-CG 3.2Å; R219-M223 PolarHBondContact O-N 3.16Å; R219-Y259 HydrophobicContact CG-CE2 4.11Å; R219-Y259 VanDerWaalsContact CG-OH 3.27Å; R219-Y259 WeakPolarHBondContact CG-OH 3.4Å; R219-Y259 PolarHBondContact NE-OH 2.69Å; R219-Y259 VanDerWaalsContact NE-OH 3.07Å |
| 220 | N | 96.7 | Very high | 95.7 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.5 | -39.6 | 178.7 | -77.9 | -42.4 | 0 | 0 | 0 | 111.5 | D216 E218 Q224 Y259 | D216-N220 VanDerWaalsContact O-CB 3.25Å; D216-N220 WeakPolarHBondContact O-CB 3.19Å; D216-N220 PolarHBondContact O-N 3.09Å; D216-N220 PolarHBondContact O-ND2 3.42Å; E218-N220 PolarHBondContact O-N 3.15Å; N220-Q224 VanDerWaalsContact O-CB 3.31Å; N220-Q224 WeakPolarHBondContact O-CB 3.41Å; N220-Q224 PolarHBondContact O-N 3.34Å; N220-Y259 PolarHBondContact N-OH 3.37Å; N220-Y259 VanDerWaalsContact OD1-CE1 3.3Å; N220-Y259 WeakPolarHBondContact OD1-CE1 3.4Å; N220-Y259 PolarHBondContact OD1-OH 3.06Å |
| 221 | Y | 95.2 | Very high | 96 | Very high | 101 Ų | 101 | 51.2 Ų | 51.2 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.1 | -44.2 | -179.4 | -166.8 | -121.2 | 0 | 0 | 0 | 112.7 | V182 K186 N217 E218 R219 Q224 V225 | V182-Y221 HydrophobicContact CB-CE1 4.48Å; V182-Y221 HydrophobicContact CG1-CD1 3.83Å; V182-Y221 HydrophobicContact CG1-CE1 3.38Å; K186-Y221 WeakPolarHBondContact CE-OH 3.39Å; K186-Y221 PolarHBondContact NZ-OH 3.5Å; K186-Y221 VanDerWaalsContact NZ-OH 3.09Å; N217-Y221 WeakPolarHBondContact O-CB 3.3Å; N217-Y221 PolarHBondContact O-N 2.8Å; E218-Y221 WeakPolarHBondContact O-CB 3.34Å; E218-Y221 PolarHBondContact O-N 2.88Å; E218-Y221 VanDerWaalsContact O-N 3.1Å; R219-Y221 PolarHBondContact O-N 2.89Å; Y221-Q224 PolarHBondContact O-N 3.05Å; Y221-V225 HydrophobicContact CE2-CG2 4.41Å; Y221-V225 WeakPolarHBondContact O-CG2 3.15Å; Y221-V225 PolarHBondContact O-N 3.37Å; Y221-V225 VanDerWaalsContact O-N 3.08Å |
| 222 | I | 96.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.5 | -51.8 | 173.9 | -65.4 | 165.9 | 0 | 0 | 0 | 109.4 | L178 N212 F213 E218 R219 Q224 V225 V226 | L178-I222 HydrophobicContact CD1-CD1 4.03Å; N212-I222 HydrophobicContact CB-CD1 4.29Å; F213-I222 HydrophobicContact CD2-CD1 4.29Å; F213-I222 HydrophobicContact CE2-CD1 3.95Å; F213-I222 HydrophobicContact CE2-CG2 4.11Å; F213-I222 HydrophobicContact CZ-CG2 3.97Å; E218-I222 WeakPolarHBondContact O-CG1 3.36Å; E218-I222 PolarHBondContact O-N 3.44Å; R219-I222 PolarHBondContact O-N 2.87Å; I222-Q224 VanDerWaalsContact C-N 3.32Å; I222-Q224 PolarHBondContact O-N 3.36Å; I222-V225 PolarHBondContact O-N 2.88Å; I222-V226 HydrophobicContact CG2-CG2 4.26Å; I222-V226 VanDerWaalsContact O-CG2 3.3Å; I222-V226 WeakPolarHBondContact O-CG2 3.48Å; I222-V226 PolarHBondContact O-N 3.21Å |
| 223 | M | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -41.4 | -179.5 | -69.6 | -54.7 | -65.8 | 0 | 0 | 112.3 | F213 R219 C227 L245 I248 M256 Y259 L264 | F213-M223 HydrophobicContact CE1-SD 4.19Å; F213-M223 HydrophobicContact CZ-SD 4.46Å; R219-M223 HydrophobicContact CG-CG 4.45Å; R219-M223 WeakPolarHBondContact O-CB 3.35Å; R219-M223 VanDerWaalsContact O-CG 3.28Å; R219-M223 WeakPolarHBondContact O-CG 3.2Å; R219-M223 PolarHBondContact O-N 3.16Å; M223-C227 VanDerWaalsContact O-CB 3.24Å; M223-C227 WeakPolarHBondContact O-CB 3.39Å; M223-C227 PolarHBondContact O-N 2.59Å; M223-C227 PolarHBondContact O-SG 3.17Å; M223-L245 HydrophobicContact CE-CD2 3.99Å; M223-I248 HydrophobicContact CE-CG2 4.45Å; M223-I248 HydrophobicContact SD-CD1 4.04Å; M223-I248 HydrophobicContact SD-CG2 3.89Å; M223-M256 HydrophobicContact CE-SD 4Å; M223-M256 HydrophobicContact SD-CE 4.33Å; M223-Y259 HydrophobicContact CB-CD1 3.96Å; M223-Y259 HydrophobicContact CB-CE1 3.81Å; M223-Y259 HydrophobicContact CB-CG 4.42Å; M223-Y259 HydrophobicContact CE-CD2 4.17Å; M223-Y259 HydrophobicContact CE-CG 4.05Å; M223-Y259 HydrophobicContact CG-CD1 4.1Å; M223-Y259 HydrophobicContact CG-CD2 4.02Å; M223-Y259 HydrophobicContact CG-CE1 3.89Å; M223-Y259 HydrophobicContact CG-CE2 3.79Å; M223-Y259 HydrophobicContact CG-CG 4.16Å; M223-L264 HydrophobicContact CE-CD1 4.11Å; M223-L264 HydrophobicContact CE-CD2 3.8Å; M223-L264 HydrophobicContact CE-CG 4.41Å |
| 224 | Q | 96.6 | Very high | 96.4 | Very high | 102 Ų | 102 | 52.7 Ų | 52.7 | 48% | 0.477 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -51.3 | 175.8 | -178.4 | -175.7 | -15.8 | 0 | 0 | 111.3 | N220 Y221 I222 V226 C227 E228 | N220-Q224 VanDerWaalsContact O-CB 3.31Å; N220-Q224 WeakPolarHBondContact O-CB 3.41Å; N220-Q224 PolarHBondContact O-N 3.34Å; Y221-Q224 PolarHBondContact O-N 3.05Å; I222-Q224 VanDerWaalsContact C-N 3.32Å; I222-Q224 PolarHBondContact O-N 3.36Å; Q224-V226 PolarHBondContact O-N 2.68Å; Q224-C227 PolarHBondContact O-N 3.02Å; Q224-E228 HydrophobicContact CG-CG 4.47Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.22Å; Q224-E228 PolarHBondContact NE2-OE1 2.9Å; Q224-E228 WeakPolarHBondContact O-CB 3.26Å; Q224-E228 WeakPolarHBondContact O-CG 3.49Å; Q224-E228 PolarHBondContact O-N 3.26Å |
| 225 | V | 97 | Very high | 96.5 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.1 | -36.4 | -175.5 | 174.8 | 0 | 0 | 0 | 0 | 112 | V182 M185 Y221 I222 S229 | V182-V225 HydrophobicContact CG1-CB 4.17Å; V182-V225 HydrophobicContact CG1-CG1 4.16Å; V182-V225 HydrophobicContact CG1-CG2 3.78Å; M185-V225 HydrophobicContact CB-CG1 3.49Å; M185-V225 VanDerWaalsContact CB-CG1 3.49Å; M185-V225 HydrophobicContact CE-CG1 4.31Å; M185-V225 HydrophobicContact SD-CG1 4.5Å; Y221-V225 HydrophobicContact CE2-CG2 4.41Å; Y221-V225 WeakPolarHBondContact O-CG2 3.15Å; Y221-V225 PolarHBondContact O-N 3.37Å; Y221-V225 VanDerWaalsContact O-N 3.08Å; I222-V225 PolarHBondContact O-N 2.88Å; V225-S229 WeakPolarHBondContact O-CB 3.32Å; V225-S229 PolarHBondContact O-N 3.26Å; V225-S229 PolarHBondContact O-OG 3.26Å |
| 226 | V | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.4 | -49.1 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | M185 L202 I222 Q224 E228 S229 T230 A241 C244 L245 I248 | M185-V226 HydrophobicContact CE-CG2 4.12Å; L202-V226 HydrophobicContact CD2-CG2 3.32Å; I222-V226 HydrophobicContact CG2-CG2 4.26Å; I222-V226 VanDerWaalsContact O-CG2 3.3Å; I222-V226 WeakPolarHBondContact O-CG2 3.48Å; I222-V226 PolarHBondContact O-N 3.21Å; Q224-V226 PolarHBondContact O-N 2.68Å; V226-E228 VanDerWaalsContact C-N 3.34Å; V226-E228 PolarHBondContact O-N 2.67Å; V226-S229 WeakPolarHBondContact O-CB 3.36Å; V226-S229 PolarHBondContact O-N 3.35Å; V226-T230 WeakPolarHBondContact O-CG2 3.36Å; V226-T230 PolarHBondContact O-N 3.38Å; V226-T230 VanDerWaalsContact O-N 3.09Å; V226-A241 WeakPolarHBondContact CG1-O 3.41Å; V226-C244 HydrophobicContact CG1-CB 4.01Å; V226-L245 HydrophobicContact CB-CD2 4.41Å; V226-L245 HydrophobicContact CG1-CD2 3.52Å; V226-L245 HydrophobicContact CG1-CG 3.72Å; V226-I248 HydrophobicContact CG2-CD1 4.38Å |
| 227 | C | 97.6 | Very high | 96.7 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 178.1 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | M223 Q224 S229 T230 I267 | M223-C227 VanDerWaalsContact O-CB 3.24Å; M223-C227 WeakPolarHBondContact O-CB 3.39Å; M223-C227 PolarHBondContact O-N 2.59Å; M223-C227 PolarHBondContact O-SG 3.17Å; Q224-C227 PolarHBondContact O-N 3.02Å; C227-S229 VanDerWaalsContact C-N 3.3Å; C227-S229 PolarHBondContact O-N 3.04Å; C227-T230 PolarHBondContact O-N 3.23Å; C227-T230 PolarHBondContact O-OG1 3.47Å; C227-I267 HydrophobicContact CB-CD1 3.72Å |
| 228 | E | 96.8 | Very high | 96.8 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.8 | -36.4 | 174.6 | -74.8 | 176.2 | -169.9 | 0 | 0 | 112.3 | Q224 V226 T230 Q231 | Q224-E228 HydrophobicContact CG-CG 4.47Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.22Å; Q224-E228 PolarHBondContact NE2-OE1 2.9Å; Q224-E228 WeakPolarHBondContact O-CB 3.26Å; Q224-E228 WeakPolarHBondContact O-CG 3.49Å; Q224-E228 PolarHBondContact O-N 3.26Å; V226-E228 VanDerWaalsContact C-N 3.34Å; V226-E228 PolarHBondContact O-N 2.67Å; E228-T230 VanDerWaalsContact C-N 3.32Å; E228-T230 PolarHBondContact O-N 2.9Å; E228-Q231 WeakPolarHBondContact O-CB 3.25Å; E228-Q231 PolarHBondContact O-N 3.41Å; E228-Q231 VanDerWaalsContact O-N 3.1Å |
| 229 | S | 97.7 | Very high | 97 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -30.4 | 178.1 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | V225 V226 C227 Q231 S232 | V225-S229 WeakPolarHBondContact O-CB 3.32Å; V225-S229 PolarHBondContact O-N 3.26Å; V225-S229 PolarHBondContact O-OG 3.26Å; V226-S229 WeakPolarHBondContact O-CB 3.36Å; V226-S229 PolarHBondContact O-N 3.35Å; C227-S229 VanDerWaalsContact C-N 3.3Å; C227-S229 PolarHBondContact O-N 3.04Å; S229-Q231 PolarHBondContact O-N 3.04Å; S229-Q231 VanDerWaalsContact O-N 3.16Å; S229-S232 WeakPolarHBondContact O-CB 3.48Å; S229-S232 PolarHBondContact O-N 3.2Å; S229-S232 VanDerWaalsContact O-N 3.09Å |
| 230 | T | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.8 | 172.1 | 74.4 | 0 | 0 | 0 | 0 | 112.8 | V226 C227 E228 R238 A241 L242 L245 I267 | V226-T230 WeakPolarHBondContact O-CG2 3.36Å; V226-T230 PolarHBondContact O-N 3.38Å; V226-T230 VanDerWaalsContact O-N 3.09Å; C227-T230 PolarHBondContact O-N 3.23Å; C227-T230 PolarHBondContact O-OG1 3.47Å; E228-T230 VanDerWaalsContact C-N 3.32Å; E228-T230 PolarHBondContact O-N 2.9Å; T230-R238 WeakPolarHBondContact O-CD 3.32Å; T230-R238 VanDerWaalsContact O-CG 3.27Å; T230-R238 WeakPolarHBondContact O-CG 3.49Å; T230-A241 HydrophobicContact CG2-CB 3.86Å; T230-L242 HydrophobicContact CG2-CD2 4.18Å; T230-L242 HydrophobicContact CG2-CG 4.32Å; T230-L245 HydrophobicContact CG2-CD1 3.74Å; T230-L245 HydrophobicContact CG2-CG 4.45Å; T230-I267 HydrophobicContact CG2-CG2 3.92Å; T230-I267 WeakPolarHBondContact OG1-CG2 3.45Å |
| 231 | Q | 96.3 | Very high | 97.2 | Very high | 131 Ų | 131 | 39.6 Ų | 39.6 | 61% | 0.612 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 12 | 178.8 | -53.7 | -57.1 | -60.9 | 0 | 0 | 112.6 | E228 S229 | E228-Q231 WeakPolarHBondContact O-CB 3.25Å; E228-Q231 PolarHBondContact O-N 3.41Å; E228-Q231 VanDerWaalsContact O-N 3.1Å; S229-Q231 PolarHBondContact O-N 3.04Å; S229-Q231 VanDerWaalsContact O-N 3.16Å |
| 232 | S | 96.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | trans | -64.2 | 140.6 | 178.6 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | R195 S229 N234 R238 | R195-S232 PolarHBondContact NH1-OG 3.32Å; S229-S232 WeakPolarHBondContact O-CB 3.48Å; S229-S232 PolarHBondContact O-N 3.2Å; S229-S232 VanDerWaalsContact O-N 3.09Å; S232-N234 PolarHBondContact O-N 3.39Å; S232-N234 PolarHBondContact OG-N 2.89Å; S232-R238 VanDerWaalsContact O-CD 3.29Å; S232-R238 WeakPolarHBondContact O-CD 3.43Å; S232-R238 WeakPolarHBondContact O-CG 3.31Å; S232-R238 PolarHBondContact O-NH1 2.64Å | ||
| 233 | P | 95.8 | Very high | 97.5 | Very high | 113 Ų | 113 | 37.8 Ų | 37.8 | 73% | 0.734 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -63.2 | -26.9 | 172.4 | 26.7 | -34.6 | 0 | 0 | 0 | 112.1 | P235 R238 | P233-P235 WeakPolarHBondContact O-CD 3.06Å; P233-R238 PolarHBondContact O-NH1 3.37Å |
| 234 | N | 96.5 | Very high | 97.5 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -79.3 | 117.7 | 178 | -171.2 | -37.4 | 0 | 0 | 0 | 111.2 | D192 S232 Q236 I237 R238 | D192-N234 WeakPolarHBondContact OD2-CB 3.36Å; D192-N234 PolarHBondContact OD2-ND2 3.48Å; S232-N234 PolarHBondContact O-N 3.39Å; S232-N234 PolarHBondContact OG-N 2.89Å; N234-Q236 VanDerWaalsContact C-N 3.3Å; N234-Q236 PolarHBondContact O-N 2.81Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.45Å; N234-Q236 PolarHBondContact OD1-N 3.02Å; N234-I237 HydrophobicContact CB-CB 4.43Å; N234-I237 HydrophobicContact CB-CD1 3.99Å; N234-I237 HydrophobicContact CB-CG1 4.15Å; N234-I237 PolarHBondContact O-N 3.23Å; N234-R238 PolarHBondContact O-N 3.02Å |
| 235 | P | 97.4 | Very high | 97.6 | Very high | 50 Ų | 50 | 32.9 Ų | 32.9 | 33% | 0.325 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.7 | -35.2 | -179.1 | -23.3 | 33.9 | 0 | 0 | 0 | 114.1 | P233 I237 R238 V239 V276 | P233-P235 WeakPolarHBondContact O-CD 3.06Å; P235-I237 VanDerWaalsContact C-N 3.3Å; P235-I237 PolarHBondContact O-N 3.19Å; P235-R238 WeakPolarHBondContact O-CB 3.49Å; P235-R238 PolarHBondContact O-N 3.27Å; P235-R238 VanDerWaalsContact O-N 3.09Å; P235-V239 WeakPolarHBondContact O-CG2 3.31Å; P235-V239 PolarHBondContact O-N 2.89Å; P235-V276 HydrophobicContact CB-CG1 4.24Å; P235-V276 HydrophobicContact CB-CG2 4.47Å; P235-V276 HydrophobicContact CG-CG2 4.41Å |
| 236 | Q | 97.3 | Very high | 97.7 | Very high | 126 Ų | 126 | 33.5 Ų | 33.5 | 59% | 0.589 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -63.9 | -37.8 | -179.6 | -63.4 | -179.6 | -45.2 | 0 | 0 | 111.7 | L196 N234 A240 | L196-Q236 HydrophobicContact CD1-CB 4.11Å; L196-Q236 HydrophobicContact CD2-CB 4.08Å; N234-Q236 VanDerWaalsContact C-N 3.3Å; N234-Q236 PolarHBondContact O-N 2.81Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.45Å; N234-Q236 PolarHBondContact OD1-N 3.02Å; Q236-A240 WeakPolarHBondContact O-CB 3.47Å; Q236-A240 PolarHBondContact O-N 3.07Å |
| 237 | I | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.5 | -39 | 174.6 | -61.3 | 175.8 | 0 | 0 | 0 | 110.3 | D192 R195 L196 N234 P235 A241 | D192-I237 HydrophobicContact CB-CD1 3.95Å; R195-I237 HydrophobicContact CB-CD1 3.73Å; L196-I237 HydrophobicContact CB-CG1 4.16Å; N234-I237 HydrophobicContact CB-CB 4.43Å; N234-I237 HydrophobicContact CB-CD1 3.99Å; N234-I237 HydrophobicContact CB-CG1 4.15Å; N234-I237 PolarHBondContact O-N 3.23Å; P235-I237 VanDerWaalsContact C-N 3.3Å; P235-I237 PolarHBondContact O-N 3.19Å; I237-A241 VanDerWaalsContact O-CB 3.22Å; I237-A241 WeakPolarHBondContact O-CB 3.4Å; I237-A241 PolarHBondContact O-N 3.03Å |
| 238 | R | 98.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 176 | -62.7 | -156.2 | -62.9 | -80.6 | 6.5 | 111.4 | T230 S232 P233 N234 P235 A241 L242 D274 V279 | T230-R238 WeakPolarHBondContact O-CD 3.32Å; T230-R238 VanDerWaalsContact O-CG 3.27Å; T230-R238 WeakPolarHBondContact O-CG 3.49Å; S232-R238 VanDerWaalsContact O-CD 3.29Å; S232-R238 WeakPolarHBondContact O-CD 3.43Å; S232-R238 WeakPolarHBondContact O-CG 3.31Å; S232-R238 PolarHBondContact O-NH1 2.64Å; P233-R238 PolarHBondContact O-NH1 3.37Å; N234-R238 PolarHBondContact O-N 3.02Å; P235-R238 WeakPolarHBondContact O-CB 3.49Å; P235-R238 PolarHBondContact O-N 3.27Å; P235-R238 VanDerWaalsContact O-N 3.09Å; R238-A241 PolarHBondContact O-N 3.2Å; R238-L242 WeakPolarHBondContact O-CB 3.16Å; R238-L242 VanDerWaalsContact O-CG 3.28Å; R238-L242 WeakPolarHBondContact O-CG 3.28Å; R238-L242 PolarHBondContact O-N 3.2Å; R238-D274 IonicContact CZ-OD2 2.69Å; R238-D274 IonicContact NE-OD2 3.86Å; R238-D274 PolarHBondContact NE-OD2 2.97Å; R238-D274 IonicContact NH2-OD1 3.74Å; R238-D274 IonicContact NH2-OD2 3.36Å; R238-D274 PolarHBondContact NH2-OD2 2.68Å; R238-V279 HydrophobicContact CB-CG2 4.21Å |
| 239 | V | 98.5 | Very high | 97.8 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 14% | 0.139 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -53.3 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | P235 A241 L242 Q243 E278 V279 Q282 | P235-V239 WeakPolarHBondContact O-CG2 3.31Å; P235-V239 PolarHBondContact O-N 2.89Å; V239-A241 VanDerWaalsContact C-N 3.31Å; V239-A241 PolarHBondContact O-N 2.79Å; V239-L242 PolarHBondContact O-N 3.36Å; V239-Q243 WeakPolarHBondContact O-CG 3.43Å; V239-Q243 PolarHBondContact O-N 2.94Å; V239-E278 HydrophobicContact CG2-CB 3.76Å; V239-V279 HydrophobicContact CG2-CG2 3.83Å; V239-Q282 HydrophobicContact CG1-CG 4.03Å |
| 240 | A | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L196 T199 N200 Q236 Q243 C244 | L196-A240 HydrophobicContact CD1-CB 4.01Å; T199-A240 VanDerWaalsContact CG2-C 3.48Å; T199-A240 HydrophobicContact CG2-CB 3.6Å; N200-A240 WeakPolarHBondContact OD1-CB 3.42Å; Q236-A240 WeakPolarHBondContact O-CB 3.47Å; Q236-A240 PolarHBondContact O-N 3.07Å; A240-Q243 WeakPolarHBondContact O-CB 3.43Å; A240-Q243 PolarHBondContact O-N 3.46Å; A240-C244 PolarHBondContact O-N 3.49Å; A240-C244 PolarHBondContact O-SG 3.28Å; A240-C244 VanDerWaalsContact O-SG 3.4Å |
| 241 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.5 | -35.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T199 V226 T230 I237 R238 V239 C244 L245 | T199-A241 HydrophobicContact CG2-CB 4.09Å; V226-A241 WeakPolarHBondContact CG1-O 3.41Å; T230-A241 HydrophobicContact CG2-CB 3.86Å; I237-A241 VanDerWaalsContact O-CB 3.22Å; I237-A241 WeakPolarHBondContact O-CB 3.4Å; I237-A241 PolarHBondContact O-N 3.03Å; R238-A241 PolarHBondContact O-N 3.2Å; V239-A241 VanDerWaalsContact C-N 3.31Å; V239-A241 PolarHBondContact O-N 2.79Å; A241-C244 WeakPolarHBondContact O-CB 3.43Å; A241-C244 PolarHBondContact O-N 3.42Å; A241-L245 PolarHBondContact O-N 2.9Å; A241-L245 VanDerWaalsContact O-N 3.08Å |
| 242 | L | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | 172.8 | -70.8 | 163.4 | 0 | 0 | 0 | 111.3 | T230 R238 V239 C244 L245 V246 I267 A271 V279 Q282 | T230-L242 HydrophobicContact CG2-CD2 4.18Å; T230-L242 HydrophobicContact CG2-CG 4.32Å; R238-L242 WeakPolarHBondContact O-CB 3.16Å; R238-L242 VanDerWaalsContact O-CG 3.28Å; R238-L242 WeakPolarHBondContact O-CG 3.28Å; R238-L242 PolarHBondContact O-N 3.2Å; V239-L242 PolarHBondContact O-N 3.36Å; L242-C244 VanDerWaalsContact C-N 3.28Å; L242-C244 PolarHBondContact O-N 3.49Å; L242-L245 HydrophobicContact CD2-CD1 4.34Å; L242-L245 CarbonylContact O-C 3.56Å; L242-L245 WeakPolarHBondContact O-CA 3.3Å; L242-L245 WeakPolarHBondContact O-CB 3.49Å; L242-L245 PolarHBondContact O-N 3.43Å; L242-V246 WeakPolarHBondContact O-CG2 3.41Å; L242-V246 PolarHBondContact O-N 3.03Å; L242-I267 HydrophobicContact CD2-CG2 3.99Å; L242-A271 HydrophobicContact CD1-CB 3.7Å; L242-A271 HydrophobicContact CD2-CB 3.98Å; L242-V279 HydrophobicContact CD1-CG1 3.7Å; L242-Q282 HydrophobicContact CB-CB 3.52Å; L242-Q282 HydrophobicContact CB-CG 4.18Å; L242-Q282 HydrophobicContact CD1-CB 3.92Å; L242-Q282 HydrophobicContact CG-CB 4.32Å |
| 243 | Q | 98.6 | Very high | 97.6 | Very high | 65 Ų | 65 | 31.7 Ų | 31.7 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.2 | -40.1 | 171.1 | -73.1 | 173.7 | -31.3 | 0 | 0 | 111.7 | L203 V239 A240 L245 V246 K247 Q282 | L203-Q243 HydrophobicContact CD1-CB 4.23Å; L203-Q243 HydrophobicContact CD2-CB 4.05Å; V239-Q243 WeakPolarHBondContact O-CG 3.43Å; V239-Q243 PolarHBondContact O-N 2.94Å; A240-Q243 WeakPolarHBondContact O-CB 3.43Å; A240-Q243 PolarHBondContact O-N 3.46Å; Q243-L245 VanDerWaalsContact C-N 3.35Å; Q243-L245 PolarHBondContact O-N 3.2Å; Q243-V246 PolarHBondContact O-N 3.09Å; Q243-K247 PolarHBondContact O-N 3.24Å; Q243-Q282 HydrophobicContact CG-CG 4.2Å |
| 244 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 171 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | T199 L202 V226 A240 A241 L242 K247 I248 | T199-C244 PolarHBondContact O-SG 3.48Å; L202-C244 HydrophobicContact CD2-CB 4.47Å; V226-C244 HydrophobicContact CG1-CB 4.01Å; A240-C244 PolarHBondContact O-N 3.49Å; A240-C244 PolarHBondContact O-SG 3.28Å; A240-C244 VanDerWaalsContact O-SG 3.4Å; A241-C244 WeakPolarHBondContact O-CB 3.43Å; A241-C244 PolarHBondContact O-N 3.42Å; L242-C244 VanDerWaalsContact C-N 3.28Å; L242-C244 PolarHBondContact O-N 3.49Å; C244-K247 PolarHBondContact O-N 3.13Å; C244-I248 VanDerWaalsContact O-CB 3.29Å; C244-I248 WeakPolarHBondContact O-CB 3.31Å; C244-I248 WeakPolarHBondContact O-CD1 3.42Å; C244-I248 WeakPolarHBondContact O-CG1 3.44Å; C244-I248 PolarHBondContact O-N 3.13Å |
| 245 | L | 98.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 176.6 | -69.8 | -177.4 | 0 | 0 | 0 | 112.7 | M223 V226 T230 A241 L242 Q243 I248 M249 L264 I267 F286 | M223-L245 HydrophobicContact CE-CD2 3.99Å; V226-L245 HydrophobicContact CB-CD2 4.41Å; V226-L245 HydrophobicContact CG1-CD2 3.52Å; V226-L245 HydrophobicContact CG1-CG 3.72Å; T230-L245 HydrophobicContact CG2-CD1 3.74Å; T230-L245 HydrophobicContact CG2-CG 4.45Å; A241-L245 PolarHBondContact O-N 2.9Å; A241-L245 VanDerWaalsContact O-N 3.08Å; L242-L245 HydrophobicContact CD2-CD1 4.34Å; L242-L245 CarbonylContact O-C 3.56Å; L242-L245 WeakPolarHBondContact O-CA 3.3Å; L242-L245 WeakPolarHBondContact O-CB 3.49Å; L242-L245 PolarHBondContact O-N 3.43Å; Q243-L245 VanDerWaalsContact C-N 3.35Å; Q243-L245 PolarHBondContact O-N 3.2Å; L245-I248 PolarHBondContact O-N 3.4Å; L245-M249 WeakPolarHBondContact O-CB 3.24Å; L245-M249 PolarHBondContact O-N 3.4Å; L245-L264 HydrophobicContact CD1-CD2 4.02Å; L245-L264 HydrophobicContact CD2-CD2 3.71Å; L245-L264 HydrophobicContact CG-CD2 4.48Å; L245-I267 HydrophobicContact CD1-CG2 4.15Å; L245-F286 HydrophobicContact CB-CD2 4.21Å; L245-F286 HydrophobicContact CB-CE2 4.22Å |
| 246 | V | 98.5 | Very high | 97.5 | Very high | 18 Ų | 18 | 28.9 Ų | 28.9 | 11% | 0.109 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -53.2 | 173.7 | 172.3 | 0 | 0 | 0 | 0 | 110 | L242 Q243 I248 M249 S250 E285 F286 T289 | L242-V246 WeakPolarHBondContact O-CG2 3.41Å; L242-V246 PolarHBondContact O-N 3.03Å; Q243-V246 PolarHBondContact O-N 3.09Å; V246-I248 VanDerWaalsContact C-N 3.35Å; V246-I248 PolarHBondContact O-N 3.24Å; V246-M249 WeakPolarHBondContact O-CB 3.39Å; V246-M249 PolarHBondContact O-N 3.06Å; V246-M249 VanDerWaalsContact O-N 3.11Å; V246-S250 PolarHBondContact O-N 2.93Å; V246-S250 VanDerWaalsContact O-N 3.15Å; V246-E285 HydrophobicContact CG1-CG 3.99Å; V246-E285 HydrophobicContact CG2-CB 4.29Å; V246-E285 HydrophobicContact CG2-CG 4.09Å; V246-F286 HydrophobicContact CG2-CB 4.05Å; V246-F286 HydrophobicContact CG2-CD2 4.49Å; V246-T289 HydrophobicContact CG1-CG2 4.44Å; V246-T289 WeakPolarHBondContact CG1-OG1 3.47Å |
| 247 | K | 98 | Very high | 97.4 | Very high | 52 Ų | 52 | 28.6 Ų | 28.6 | 23% | 0.226 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.1 | -34.8 | -179.8 | -169.6 | 161.8 | -172.9 | 173.9 | 0 | 113 | L203 L206 E207 Q243 C244 L251 | L203-K247 HydrophobicContact CD1-CB 3.82Å; L203-K247 HydrophobicContact CD1-CD 3.79Å; L203-K247 HydrophobicContact CD1-CG 4.41Å; L206-K247 HydrophobicContact CB-CD 4.49Å; L206-K247 HydrophobicContact CB-CG 4.44Å; L206-K247 HydrophobicContact CD1-CB 3.8Å; L206-K247 HydrophobicContact CD1-CD 4.21Å; L206-K247 HydrophobicContact CD1-CG 3.88Å; E207-K247 WeakPolarHBondContact OE1-CE 3.39Å; E207-K247 IonicContact OE1-NZ 2.77Å; E207-K247 PolarHBondContact OE1-NZ 2.87Å; Q243-K247 PolarHBondContact O-N 3.24Å; C244-K247 PolarHBondContact O-N 3.13Å; K247-L251 HydrophobicContact CG-CD1 3.92Å; K247-L251 HydrophobicContact CG-CG 4.38Å; K247-L251 WeakPolarHBondContact O-CB 3.48Å; K247-L251 WeakPolarHBondContact O-CG 3.32Å; K247-L251 PolarHBondContact O-N 2.97Å |
| 248 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 172.3 | -73.5 | 165.5 | 0 | 0 | 0 | 110.7 | L206 F213 M223 V226 C244 L245 V246 Y252 M256 | L206-I248 HydrophobicContact CD1-CG1 3.8Å; L206-I248 HydrophobicContact CD2-CD1 4.15Å; L206-I248 HydrophobicContact CD2-CG1 3.69Å; L206-I248 HydrophobicContact CG-CG1 4.4Å; F213-I248 HydrophobicContact CE1-CG1 4.47Å; F213-I248 HydrophobicContact CE1-CG2 3.84Å; F213-I248 HydrophobicContact CZ-CD1 3.99Å; F213-I248 HydrophobicContact CZ-CG1 3.88Å; F213-I248 HydrophobicContact CZ-CG2 4.1Å; M223-I248 HydrophobicContact CE-CG2 4.45Å; M223-I248 HydrophobicContact SD-CD1 4.04Å; M223-I248 HydrophobicContact SD-CG2 3.89Å; V226-I248 HydrophobicContact CG2-CD1 4.38Å; C244-I248 VanDerWaalsContact O-CB 3.29Å; C244-I248 WeakPolarHBondContact O-CB 3.31Å; C244-I248 WeakPolarHBondContact O-CD1 3.42Å; C244-I248 WeakPolarHBondContact O-CG1 3.44Å; C244-I248 PolarHBondContact O-N 3.13Å; L245-I248 PolarHBondContact O-N 3.4Å; V246-I248 VanDerWaalsContact C-N 3.35Å; V246-I248 PolarHBondContact O-N 3.24Å; I248-Y252 HydrophobicContact CG2-CD2 4.29Å; I248-Y252 WeakPolarHBondContact O-CA 3.18Å; I248-Y252 VanDerWaalsContact O-CB 3.28Å; I248-Y252 WeakPolarHBondContact O-CB 3.44Å; I248-Y252 PolarHBondContact O-N 2.91Å; I248-M256 HydrophobicContact CG2-CE 3.51Å; I248-M256 HydrophobicContact CG2-SD 3.67Å |
| 249 | M | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 178.3 | -177.5 | 55.4 | 67.5 | 0 | 0 | 111.2 | L245 V246 Y253 M256 M260 L264 F286 V290 | L245-M249 WeakPolarHBondContact O-CB 3.24Å; L245-M249 PolarHBondContact O-N 3.4Å; V246-M249 WeakPolarHBondContact O-CB 3.39Å; V246-M249 PolarHBondContact O-N 3.06Å; V246-M249 VanDerWaalsContact O-N 3.11Å; M249-Y253 VanDerWaalsContact O-CA 3.31Å; M249-Y253 WeakPolarHBondContact O-CA 3.49Å; M249-Y253 WeakPolarHBondContact O-CB 3.42Å; M249-Y253 PolarHBondContact O-N 2.98Å; M249-Y253 HydrophobicContact SD-CD2 3.7Å; M249-Y253 HydrophobicContact SD-CE2 4.35Å; M249-Y253 HydrophobicContact SD-CG 4.46Å; M249-M256 HydrophobicContact CE-CB 3.93Å; M249-M256 HydrophobicContact CE-CG 3.75Å; M249-M256 HydrophobicContact SD-CB 4.26Å; M249-M256 HydrophobicContact SD-CG 3.87Å; M249-M260 HydrophobicContact CE-CE 3.34Å; M249-L264 HydrophobicContact CE-CD1 4.31Å; M249-F286 HydrophobicContact CB-CE2 4.13Å; M249-F286 HydrophobicContact CE-CE1 4.12Å; M249-F286 HydrophobicContact CE-CE2 3.86Å; M249-F286 HydrophobicContact CE-CZ 3.33Å; M249-V290 HydrophobicContact CE-CG2 4.09Å; M249-V290 HydrophobicContact CG-CG2 3.71Å; M249-V290 HydrophobicContact SD-CG2 4.03Å |
| 250 | S | 97.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 34% | 0.343 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.4 | -48.9 | 178.7 | 177.9 | 0 | 0 | 0 | 0 | 112.7 | V246 Y252 E293 | V246-S250 PolarHBondContact O-N 2.93Å; V246-S250 VanDerWaalsContact O-N 3.15Å; S250-Y252 PolarHBondContact O-N 3.02Å; S250-E293 WeakPolarHBondContact CA-OE1 3.21Å; S250-E293 VanDerWaalsContact CB-OE1 3.25Å; S250-E293 WeakPolarHBondContact CB-OE1 3.42Å; S250-E293 PolarHBondContact OG-OE1 3.04Å |
| 251 | L | 95 | Very high | 96.8 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 38% | 0.382 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -74.3 | -27.5 | -176.5 | -64.9 | 175.9 | 0 | 0 | 0 | 114.1 | L206 E207 K247 | L206-L251 HydrophobicContact CB-CD1 3.85Å; E207-L251 HydrophobicContact CG-CD1 4.25Å; K247-L251 HydrophobicContact CG-CD1 3.92Å; K247-L251 HydrophobicContact CG-CG 4.38Å; K247-L251 WeakPolarHBondContact O-CB 3.48Å; K247-L251 WeakPolarHBondContact O-CG 3.32Å; K247-L251 PolarHBondContact O-N 2.97Å |
| 252 | Y | 96.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -134.6 | 27.3 | -164.3 | -57.2 | -55.3 | 0 | 0 | 0 | 113.6 | L206 T209 K210 F213 I248 S250 S254 Y255 | L206-Y252 PolarHBondContact O-OH 3.04Å; T209-Y252 VanDerWaalsContact C-OH 3.27Å; T209-Y252 PolarHBondContact OG1-OH 3.44Å; T209-Y252 VanDerWaalsContact OG1-OH 3.1Å; K210-Y252 HydrophobicContact CB-CE1 4.28Å; K210-Y252 HydrophobicContact CG-CE1 4.48Å; K210-Y252 PolarHBondContact N-OH 3.34Å; K210-Y252 VanDerWaalsContact N-OH 3.1Å; F213-Y252 HydrophobicContact CB-CD1 4.03Å; F213-Y252 HydrophobicContact CB-CE1 3.99Å; F213-Y252 HydrophobicContact CB-CE2 4.45Å; F213-Y252 HydrophobicContact CB-CG 4.31Å; F213-Y252 HydrophobicContact CD1-CD1 4.24Å; F213-Y252 AromaticContact CD1-CD2 3.56Å; F213-Y252 HydrophobicContact CD1-CD2 3.56Å; F213-Y252 HydrophobicContact CD1-CE2 4.05Å; F213-Y252 AromaticContact CD1-CG 3.66Å; F213-Y252 HydrophobicContact CD1-CG 3.66Å; F213-Y252 AromaticContact CD2-CD2 3.89Å; F213-Y252 HydrophobicContact CD2-CD2 3.89Å; F213-Y252 HydrophobicContact CD2-CE1 4.45Å; F213-Y252 AromaticContact CD2-CE2 3.49Å; F213-Y252 HydrophobicContact CD2-CE2 3.49Å; F213-Y252 VanDerWaalsContact CD2-CE2 3.49Å; F213-Y252 AromaticContact CD2-CZ 3.82Å; F213-Y252 AromaticContact CE1-CD2 3.62Å; F213-Y252 HydrophobicContact CE1-CD2 3.62Å; F213-Y252 HydrophobicContact CE1-CE2 4.19Å; F213-Y252 HydrophobicContact CE1-CG 4.11Å; F213-Y252 AromaticContact CE2-CD2 3.93Å; F213-Y252 HydrophobicContact CE2-CD2 3.93Å; F213-Y252 AromaticContact CE2-CE2 3.63Å; F213-Y252 HydrophobicContact CE2-CE2 3.63Å; F213-Y252 HydrophobicContact CG-CD1 4.1Å; F213-Y252 AromaticContact CG-CD2 3.72Å; F213-Y252 HydrophobicContact CG-CD2 3.72Å; F213-Y252 HydrophobicContact CG-CE1 4.15Å; F213-Y252 AromaticContact CG-CE2 3.73Å; F213-Y252 HydrophobicContact CG-CE2 3.73Å; F213-Y252 AromaticContact CG-CG 3.9Å; F213-Y252 HydrophobicContact CG-CG 3.9Å; F213-Y252 AromaticContact CG-CZ 3.95Å; F213-Y252 AromaticContact CZ-CD2 3.81Å; F213-Y252 HydrophobicContact CZ-CD2 3.81Å; F213-Y252 AromaticContact CZ-CE2 3.99Å; F213-Y252 HydrophobicContact CZ-CE2 3.99Å; I248-Y252 HydrophobicContact CG2-CD2 4.29Å; I248-Y252 WeakPolarHBondContact O-CA 3.18Å; I248-Y252 VanDerWaalsContact O-CB 3.28Å; I248-Y252 WeakPolarHBondContact O-CB 3.44Å; I248-Y252 PolarHBondContact O-N 2.91Å; S250-Y252 PolarHBondContact O-N 3.02Å; Y252-S254 PolarHBondContact O-N 3.34Å; Y252-Y255 HydrophobicContact CD1-CD2 4.16Å; Y252-Y255 HydrophobicContact CD1-CE2 4.38Å; Y252-Y255 HydrophobicContact CG-CD2 4.47Å; Y252-Y255 WeakPolarHBondContact O-CB 3.46Å; Y252-Y255 PolarHBondContact O-N 3.3Å |
| 253 | Y | 96.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -42.2 | -46.7 | -179.4 | -179.4 | -84.6 | 0 | 0 | 0 | 113.5 | M249 Y255 M256 E293 E294 L297 M316 Y318 | M249-Y253 VanDerWaalsContact O-CA 3.31Å; M249-Y253 WeakPolarHBondContact O-CA 3.49Å; M249-Y253 WeakPolarHBondContact O-CB 3.42Å; M249-Y253 PolarHBondContact O-N 2.98Å; M249-Y253 HydrophobicContact SD-CD2 3.7Å; M249-Y253 HydrophobicContact SD-CE2 4.35Å; M249-Y253 HydrophobicContact SD-CG 4.46Å; Y253-Y255 PolarHBondContact O-N 3.1Å; Y253-Y255 VanDerWaalsContact O-N 3.13Å; Y253-M256 WeakPolarHBondContact O-CB 3.37Å; Y253-M256 PolarHBondContact O-N 3.04Å; Y253-E293 HydrophobicContact CD2-CB 4.03Å; Y253-E293 HydrophobicContact CE2-CB 4.45Å; Y253-E294 HydrophobicContact CE2-CG 3.86Å; Y253-E294 WeakPolarHBondContact OH-CG 3.44Å; Y253-E294 PolarHBondContact OH-OE1 2.85Å; Y253-L297 HydrophobicContact CD1-CD1 3.91Å; Y253-L297 HydrophobicContact CE1-CD1 3.72Å; Y253-L297 HydrophobicContact CG-CD1 4.49Å; Y253-M316 HydrophobicContact CE1-CB 4.35Å; Y253-M316 HydrophobicContact CE1-CG 4.14Å; Y253-M316 PolarHBondContact OH-N 2.97Å; Y253-Y318 HydrophobicContact CD2-CD2 4.47Å; Y253-Y318 HydrophobicContact CD2-CE2 4.36Å; Y253-Y318 HydrophobicContact CE1-CE2 4.1Å; Y253-Y318 AromaticContact CE2-CD2 3.58Å; Y253-Y318 HydrophobicContact CE2-CD2 3.58Å; Y253-Y318 AromaticContact CE2-CE2 3.74Å; Y253-Y318 HydrophobicContact CE2-CE2 3.74Å; Y253-Y318 AromaticContact CZ-CD2 3.62Å; Y253-Y318 AromaticContact CZ-CE2 3.57Å; Y253-Y318 WeakPolarHBondContact OH-CD2 3.48Å |
| 254 | S | 94.2 | Very high | 96.4 | Very high | 68 Ų | 68 | 44.4 Ų | 44.4 | 48% | 0.476 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -61.8 | -21.4 | -178.3 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | Y252 | Y252-S254 PolarHBondContact O-N 3.34Š|
| 255 | Y | 95.6 | Very high | 96.4 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -94 | -3.6 | 178.4 | -63.4 | -60.1 | 0 | 0 | 0 | 113.7 | F213 D214 Y252 Y253 P258 Y259 | F213-Y255 HydrophobicContact CB-CD2 4.48Å; D214-Y255 PolarHBondContact OD1-OH 3.08Å; Y252-Y255 HydrophobicContact CD1-CD2 4.16Å; Y252-Y255 HydrophobicContact CD1-CE2 4.38Å; Y252-Y255 HydrophobicContact CG-CD2 4.47Å; Y252-Y255 WeakPolarHBondContact O-CB 3.46Å; Y252-Y255 PolarHBondContact O-N 3.3Å; Y253-Y255 PolarHBondContact O-N 3.1Å; Y253-Y255 VanDerWaalsContact O-N 3.13Å; Y255-P258 WeakPolarHBondContact O-CD 3.44Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.39Å; Y255-Y259 WeakPolarHBondContact O-CE2 2.97Å |
| 256 | M | 96.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | trans | -83.4 | -16.7 | -168.7 | -67.3 | -58.3 | 109.1 | 0 | 0 | 114.8 | F213 M223 I248 M249 Y253 Y259 M260 L264 | F213-M256 HydrophobicContact CE1-CE 4.19Å; M223-M256 HydrophobicContact CE-SD 4Å; M223-M256 HydrophobicContact SD-CE 4.33Å; I248-M256 HydrophobicContact CG2-CE 3.51Å; I248-M256 HydrophobicContact CG2-SD 3.67Å; M249-M256 HydrophobicContact CE-CB 3.93Å; M249-M256 HydrophobicContact CE-CG 3.75Å; M249-M256 HydrophobicContact SD-CB 4.26Å; M249-M256 HydrophobicContact SD-CG 3.87Å; Y253-M256 WeakPolarHBondContact O-CB 3.37Å; Y253-M256 PolarHBondContact O-N 3.04Å; M256-Y259 HydrophobicContact CE-CD2 4.21Å; M256-Y259 HydrophobicContact CE-CE2 4.44Å; M256-Y259 PolarHBondContact O-N 3.46Å; M256-Y259 HydrophobicContact SD-CD2 4.3Å; M256-M260 WeakPolarHBondContact O-CB 3.48Å; M256-M260 PolarHBondContact O-N 3.12Å; M256-L264 HydrophobicContact SD-CD1 3.93Å | ||
| 257 | E | 95.4 | Very high | 96.3 | Very high | 119 Ų | 119 | 50.6 Ų | 50.6 | 56% | 0.556 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -48 | -51.1 | -177.9 | -173.1 | -175.4 | -174.7 | 0 | 0 | 114 | Y259 M316 Y318 | E257-Y259 VanDerWaalsContact C-N 3.26Å; E257-Y259 PolarHBondContact O-N 2.91Å; E257-M316 HydrophobicContact CB-CE 4.13Å; E257-M316 HydrophobicContact CG-CE 3.68Å; E257-M316 WeakPolarHBondContact OE1-CE 3.33Å; E257-M316 WeakPolarHBondContact OE2-CE 3.48Å; E257-Y318 WeakPolarHBondContact CA-OH 3.46Å; E257-Y318 WeakPolarHBondContact CB-OH 3.46Å; E257-Y318 PolarHBondContact N-OH 2.82Å |
| 258 | P | 95.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.3 | -30.8 | -179.8 | 23.7 | -34.6 | 0 | 0 | 0 | 113.2 | Y255 Q262 | Y255-P258 WeakPolarHBondContact O-CD 3.44Å; P258-Q262 WeakPolarHBondContact O-CB 3.18Å; P258-Q262 WeakPolarHBondContact O-CG 3.37Å; P258-Q262 PolarHBondContact O-NE2 3.39Å; P258-Q262 VanDerWaalsContact O-NE2 3.14Å |
| 259 | Y | 97.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -90.2 | -29.9 | -175.3 | -49.1 | -69.1 | 0 | 0 | 0 | 112.7 | R219 N220 M223 Y255 M256 E257 K261 Q262 A263 L264 | R219-Y259 HydrophobicContact CG-CE2 4.11Å; R219-Y259 VanDerWaalsContact CG-OH 3.27Å; R219-Y259 WeakPolarHBondContact CG-OH 3.4Å; R219-Y259 PolarHBondContact NE-OH 2.69Å; R219-Y259 VanDerWaalsContact NE-OH 3.07Å; N220-Y259 PolarHBondContact N-OH 3.37Å; N220-Y259 VanDerWaalsContact OD1-CE1 3.3Å; N220-Y259 WeakPolarHBondContact OD1-CE1 3.4Å; N220-Y259 PolarHBondContact OD1-OH 3.06Å; M223-Y259 HydrophobicContact CB-CD1 3.96Å; M223-Y259 HydrophobicContact CB-CE1 3.81Å; M223-Y259 HydrophobicContact CB-CG 4.42Å; M223-Y259 HydrophobicContact CE-CD2 4.17Å; M223-Y259 HydrophobicContact CE-CG 4.05Å; M223-Y259 HydrophobicContact CG-CD1 4.1Å; M223-Y259 HydrophobicContact CG-CD2 4.02Å; M223-Y259 HydrophobicContact CG-CE1 3.89Å; M223-Y259 HydrophobicContact CG-CE2 3.79Å; M223-Y259 HydrophobicContact CG-CG 4.16Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.39Å; Y255-Y259 WeakPolarHBondContact O-CE2 2.97Å; M256-Y259 HydrophobicContact CE-CD2 4.21Å; M256-Y259 HydrophobicContact CE-CE2 4.44Å; M256-Y259 PolarHBondContact O-N 3.46Å; M256-Y259 HydrophobicContact SD-CD2 4.3Å; E257-Y259 VanDerWaalsContact C-N 3.26Å; E257-Y259 PolarHBondContact O-N 2.91Å; Y259-K261 PolarHBondContact O-N 2.88Å; Y259-Q262 PolarHBondContact O-N 3.38Å; Y259-A263 PolarHBondContact O-N 3.06Å; Y259-L264 PolarHBondContact O-N 2.87Å |
| 260 | M | 97.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -55.9 | -54.8 | -174.5 | -178.1 | 58.4 | 77.5 | 0 | 0 | 111.4 | M249 M256 L264 F265 F286 W287 Y318 | M249-M260 HydrophobicContact CE-CE 3.34Å; M256-M260 WeakPolarHBondContact O-CB 3.48Å; M256-M260 PolarHBondContact O-N 3.12Å; M260-L264 HydrophobicContact SD-CB 4.14Å; M260-F265 WeakPolarHBondContact O-CB 3.33Å; M260-F265 PolarHBondContact O-N 3.01Å; M260-F265 HydrophobicContact SD-CB 4.39Å; M260-F286 HydrophobicContact CE-CE1 4.11Å; M260-F286 HydrophobicContact CE-CZ 4.05Å; M260-W287 HydrophobicContact SD-CH2 4.28Å; M260-Y318 HydrophobicContact CB-CD1 4.29Å; M260-Y318 HydrophobicContact CB-CE1 3.91Å; M260-Y318 HydrophobicContact CE-CD1 4.15Å; M260-Y318 HydrophobicContact CE-CD2 3.8Å; M260-Y318 HydrophobicContact CE-CE2 4.21Å; M260-Y318 HydrophobicContact CE-CG 3.78Å; M260-Y318 HydrophobicContact CG-CD1 3.64Å; M260-Y318 HydrophobicContact CG-CE1 3.79Å; M260-Y318 HydrophobicContact CG-CG 4.22Å |
| 261 | K | 91 | Very high | 96.4 | Very high | 193 Ų | 193 | 49.5 Ų | 49.5 | 84% | 0.839 | 27% | 0.269 | S | S | * | . | I | π-helix | trans | -73 | -32.1 | 179.8 | -176 | 175.5 | 179.1 | 179.2 | 0 | 113.1 | Y259 | Y259-K261 PolarHBondContact O-N 2.88Å |
| 262 | Q | 93.5 | Very high | 96.5 | Very high | 159 Ų | 159 | 46.2 Ų | 46.2 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | I | π-helix | trans | -80 | -35.3 | -172.7 | -67.8 | -178.8 | 24.8 | 0 | 0 | 113 | P258 Y259 | P258-Q262 WeakPolarHBondContact O-CB 3.18Å; P258-Q262 WeakPolarHBondContact O-CG 3.37Å; P258-Q262 PolarHBondContact O-NE2 3.39Å; P258-Q262 VanDerWaalsContact O-NE2 3.14Å; Y259-Q262 PolarHBondContact O-N 3.38Å |
| 263 | A | 96.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -143.3 | -53.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y259 F265 A266 I267 | Y259-A263 PolarHBondContact O-N 3.06Å; A263-F265 PolarHBondContact O-N 3.38Å; A263-A266 PolarHBondContact O-N 2.91Å; A263-A266 VanDerWaalsContact O-N 3.08Å; A263-I267 HydrophobicContact CB-CD1 4.08Å; A263-I267 WeakPolarHBondContact O-CG1 3.46Å; A263-I267 PolarHBondContact O-N 3.14Å |
| 264 | L | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -60.4 | -45 | -164.6 | -53 | -177.8 | 0 | 0 | 0 | 112.2 | M223 L245 M249 M256 Y259 M260 A266 I267 T268 F286 | M223-L264 HydrophobicContact CE-CD1 4.11Å; M223-L264 HydrophobicContact CE-CD2 3.8Å; M223-L264 HydrophobicContact CE-CG 4.41Å; L245-L264 HydrophobicContact CD1-CD2 4.02Å; L245-L264 HydrophobicContact CD2-CD2 3.71Å; L245-L264 HydrophobicContact CG-CD2 4.48Å; M249-L264 HydrophobicContact CE-CD1 4.31Å; M256-L264 HydrophobicContact SD-CD1 3.93Å; Y259-L264 PolarHBondContact O-N 2.87Å; M260-L264 HydrophobicContact SD-CB 4.14Å; L264-A266 VanDerWaalsContact C-N 3.3Å; L264-A266 PolarHBondContact O-N 3.44Å; L264-I267 PolarHBondContact O-N 2.86Å; L264-T268 WeakPolarHBondContact O-CG2 3.28Å; L264-T268 PolarHBondContact O-N 3.47Å; L264-T268 PolarHBondContact O-OG1 3.41Å; L264-F286 HydrophobicContact CB-CZ 4.16Å; L264-F286 HydrophobicContact CD1-CZ 4.25Å |
| 265 | F | 97.8 | Very high | 96.6 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55 | -44.1 | 177.7 | 177.2 | -98.5 | 0 | 0 | 0 | 112.6 | M260 A263 L269 W287 A322 F325 | M260-F265 WeakPolarHBondContact O-CB 3.33Å; M260-F265 PolarHBondContact O-N 3.01Å; M260-F265 HydrophobicContact SD-CB 4.39Å; A263-F265 PolarHBondContact O-N 3.38Å; F265-L269 HydrophobicContact CE1-CD2 4.37Å; F265-L269 HydrophobicContact CZ-CD2 4.29Å; F265-L269 WeakPolarHBondContact O-CB 3.47Å; F265-L269 PolarHBondContact O-N 3.49Å; F265-W287 AromaticContact CD2-CH2 3.94Å; F265-W287 HydrophobicContact CD2-CH2 3.94Å; F265-W287 AromaticContact CD2-CZ2 3.72Å; F265-W287 HydrophobicContact CD2-CZ2 3.72Å; F265-W287 HydrophobicContact CE2-CH2 4.49Å; F265-W287 HydrophobicContact CE2-CZ2 4.23Å; F265-A322 HydrophobicContact CD2-CB 4.13Å; F265-A322 HydrophobicContact CE2-CB 3.73Å; F265-F325 HydrophobicContact CE2-CB 4.41Å; F265-F325 HydrophobicContact CE2-CD2 4.02Å; F265-F325 HydrophobicContact CE2-CG 4.45Å; F265-F325 HydrophobicContact CZ-CB 3.96Å; F265-F325 HydrophobicContact CZ-CD1 4.46Å; F265-F325 AromaticContact CZ-CD2 3.53Å; F265-F325 HydrophobicContact CZ-CD2 3.53Å; F265-F325 HydrophobicContact CZ-CE2 4.06Å; F265-F325 AromaticContact CZ-CG 3.75Å; F265-F325 HydrophobicContact CZ-CG 3.75Å |
| 266 | A | 97.7 | Very high | 96.7 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -72.9 | -39.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A263 L264 G270 | A263-A266 PolarHBondContact O-N 2.91Å; A263-A266 VanDerWaalsContact O-N 3.08Å; L264-A266 VanDerWaalsContact C-N 3.3Å; L264-A266 PolarHBondContact O-N 3.44Å; A266-G270 PolarHBondContact O-N 2.93Å |
| 267 | I | 98.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -49.8 | 179.1 | -69.4 | 169.9 | 0 | 0 | 0 | 110.4 | C227 T230 L242 L245 A263 L264 G270 A271 | C227-I267 HydrophobicContact CB-CD1 3.72Å; T230-I267 HydrophobicContact CG2-CG2 3.92Å; T230-I267 WeakPolarHBondContact OG1-CG2 3.45Å; L242-I267 HydrophobicContact CD2-CG2 3.99Å; L245-I267 HydrophobicContact CD1-CG2 4.15Å; A263-I267 HydrophobicContact CB-CD1 4.08Å; A263-I267 WeakPolarHBondContact O-CG1 3.46Å; A263-I267 PolarHBondContact O-N 3.14Å; L264-I267 PolarHBondContact O-N 2.86Å; I267-G270 PolarHBondContact O-N 3.05Å; I267-A271 WeakPolarHBondContact O-CB 3.32Å; I267-A271 PolarHBondContact O-N 3.42Å |
| 268 | T | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.4 | -37.7 | -173.7 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | L264 G270 A271 M272 F286 W287 | L264-T268 WeakPolarHBondContact O-CG2 3.28Å; L264-T268 PolarHBondContact O-N 3.47Å; L264-T268 PolarHBondContact O-OG1 3.41Å; T268-G270 VanDerWaalsContact C-N 3.29Å; T268-G270 PolarHBondContact O-N 3.06Å; T268-A271 WeakPolarHBondContact O-CB 3.28Å; T268-A271 PolarHBondContact O-N 2.58Å; T268-M272 WeakPolarHBondContact O-CG 3.43Å; T268-M272 PolarHBondContact O-N 3.11Å; T268-F286 HydrophobicContact CG2-CB 4.03Å; T268-F286 HydrophobicContact CG2-CD1 3.52Å; T268-F286 HydrophobicContact CG2-CD2 3.76Å; T268-F286 HydrophobicContact CG2-CE1 3.8Å; T268-F286 HydrophobicContact CG2-CE2 4.02Å; T268-F286 HydrophobicContact CG2-CG 3.47Å; T268-F286 VanDerWaalsContact CG2-CG 3.47Å; T268-F286 HydrophobicContact CG2-CZ 4.02Å; T268-W287 PolarHBondContact OG1-NE1 2.99Å |
| 269 | L | 97.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 171.9 | -160.2 | 76.1 | 0 | 0 | 0 | 112.4 | F265 M272 F325 I329 | F265-L269 HydrophobicContact CE1-CD2 4.37Å; F265-L269 HydrophobicContact CZ-CD2 4.29Å; F265-L269 WeakPolarHBondContact O-CB 3.47Å; F265-L269 PolarHBondContact O-N 3.49Å; L269-M272 HydrophobicContact CD1-SD 4.47Å; L269-F325 HydrophobicContact CD1-CB 4.24Å; L269-I329 HydrophobicContact CD1-CD1 3.17Å; L269-I329 HydrophobicContact CD2-CD1 4.49Å; L269-I329 HydrophobicContact CG-CD1 3.71Å |
| 270 | G | 97.7 | Very high | 96.9 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A266 I267 T268 K273 D274 | A266-G270 PolarHBondContact O-N 2.93Å; I267-G270 PolarHBondContact O-N 3.05Å; T268-G270 VanDerWaalsContact C-N 3.29Å; T268-G270 PolarHBondContact O-N 3.06Å; G270-K273 CarbonylContact O-C 3.57Å; G270-K273 PolarHBondContact O-N 3.42Å; G270-K273 VanDerWaalsContact O-N 3.15Å; G270-D274 PolarHBondContact O-N 3.35Å |
| 271 | A | 98.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L242 I267 T268 K273 D274 V279 A280 | L242-A271 HydrophobicContact CD1-CB 3.7Å; L242-A271 HydrophobicContact CD2-CB 3.98Å; I267-A271 WeakPolarHBondContact O-CB 3.32Å; I267-A271 PolarHBondContact O-N 3.42Å; T268-A271 WeakPolarHBondContact O-CB 3.28Å; T268-A271 PolarHBondContact O-N 2.58Å; A271-K273 PolarHBondContact O-N 2.77Å; A271-D274 VanDerWaalsContact O-CB 3.28Å; A271-D274 WeakPolarHBondContact O-CB 3.32Å; A271-D274 PolarHBondContact O-N 3.49Å; A271-V279 HydrophobicContact CB-CG1 4.04Å; A271-A280 WeakPolarHBondContact O-CA 3.28Å |
| 272 | M | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55 | -28 | 175.7 | -70.1 | 178.3 | 75.1 | 0 | 0 | 113.5 | T268 L269 G283 I284 W287 I326 I329 L330 I333 | T268-M272 WeakPolarHBondContact O-CG 3.43Å; T268-M272 PolarHBondContact O-N 3.11Å; L269-M272 HydrophobicContact CD1-SD 4.47Å; M272-G283 VanDerWaalsContact CG-C 3.46Å; M272-I284 HydrophobicContact CE-CG1 4.2Å; M272-I284 HydrophobicContact CG-CG1 4.27Å; M272-W287 VanDerWaalsContact SD-CD1 3.54Å; M272-I326 HydrophobicContact CE-CG2 3.82Å; M272-I326 HydrophobicContact SD-CG2 4.23Å; M272-I329 HydrophobicContact CB-CG2 4.09Å; M272-I329 HydrophobicContact CE-CB 4.18Å; M272-I329 HydrophobicContact CE-CG2 3.95Å; M272-L330 HydrophobicContact CE-CD2 3.36Å; M272-L330 HydrophobicContact CE-CG 3.92Å; M272-I333 WeakPolarHBondContact O-CD1 3.46Å |
| 273 | K | 97 | Very high | 97.5 | Very high | 131 Ų | 131 | 39 Ų | 39 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 3.5 | -179.8 | -68.9 | 175.1 | 172.7 | 163.6 | 0 | 113.4 | G270 A271 I329 | G270-K273 CarbonylContact O-C 3.57Å; G270-K273 PolarHBondContact O-N 3.42Å; G270-K273 VanDerWaalsContact O-N 3.15Å; A271-K273 PolarHBondContact O-N 2.77Å; K273-I329 HydrophobicContact CD-CD1 4.31Å; K273-I329 VanDerWaalsContact CE-CG1 3.43Å; K273-I329 HydrophobicContact CG-CD1 4.39Å; K273-I329 HydrophobicContact CG-CG2 4.09Å |
| 274 | D | 96.9 | Very high | 97.6 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | trans | -67.5 | 141.4 | -179.9 | -163.8 | -44.9 | 0 | 0 | 0 | 109.6 | R238 G270 A271 V276 V279 | R238-D274 IonicContact CZ-OD2 2.69Å; R238-D274 IonicContact NE-OD2 3.86Å; R238-D274 PolarHBondContact NE-OD2 2.97Å; R238-D274 IonicContact NH2-OD1 3.74Å; R238-D274 IonicContact NH2-OD2 3.36Å; R238-D274 PolarHBondContact NH2-OD2 2.68Å; G270-D274 PolarHBondContact O-N 3.35Å; A271-D274 VanDerWaalsContact O-CB 3.28Å; A271-D274 WeakPolarHBondContact O-CB 3.32Å; A271-D274 PolarHBondContact O-N 3.49Å; D274-V276 PolarHBondContact O-N 2.78Å; D274-V276 PolarHBondContact OD1-N 3.03Å; D274-V279 HydrophobicContact CB-CB 3.9Å; D274-V279 HydrophobicContact CB-CG1 3.63Å; D274-V279 WeakPolarHBondContact OD2-CG1 3.39Å | ||
| 275 | S | 95 | Very high | 97.6 | Very high | 116 Ų | 116 | 41.1 Ų | 41.1 | 81% | 0.811 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -66.8 | -18.6 | 175.4 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | P277 | S275-P277 WeakPolarHBondContact O-CD 2.85Š|
| 276 | V | 96.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -85.7 | 113.8 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | P235 D274 E278 V279 A280 | P235-V276 HydrophobicContact CB-CG1 4.24Å; P235-V276 HydrophobicContact CB-CG2 4.47Å; P235-V276 HydrophobicContact CG-CG2 4.41Å; D274-V276 PolarHBondContact O-N 2.78Å; D274-V276 PolarHBondContact OD1-N 3.03Å; V276-E278 VanDerWaalsContact C-N 3.26Å; V276-E278 HydrophobicContact CG1-CB 4.44Å; V276-E278 WeakPolarHBondContact CG1-OE2 3.45Å; V276-E278 PolarHBondContact O-N 2.9Å; V276-V279 HydrophobicContact CB-CB 4.23Å; V276-V279 HydrophobicContact CB-CG2 3.92Å; V276-V279 HydrophobicContact CG1-CG2 3.93Å; V276-V279 WeakPolarHBondContact O-CB 3.38Å; V276-V279 PolarHBondContact O-N 3.49Å; V276-A280 PolarHBondContact O-N 3.43Å; V276-A280 VanDerWaalsContact O-N 3.08Å |
| 277 | P | 95.2 | Very high | 97.7 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -55.3 | -38.7 | -175.2 | -27.5 | 36.1 | 0 | 0 | 0 | 113.7 | S275 V279 A280 L281 P348 | S275-P277 WeakPolarHBondContact O-CD 2.85Å; P277-V279 VanDerWaalsContact C-N 3.27Å; P277-V279 PolarHBondContact O-N 3.44Å; P277-A280 PolarHBondContact O-N 3.25Å; P277-L281 WeakPolarHBondContact O-CB 3.16Å; P277-L281 VanDerWaalsContact O-CG 3.31Å; P277-L281 WeakPolarHBondContact O-CG 3.44Å; P277-L281 PolarHBondContact O-N 3.19Å; P277-P348 HydrophobicContact CB-CG 3.97Å |
| 278 | E | 97.1 | Very high | 97.7 | Very high | 106 Ų | 106 | 34.5 Ų | 34.5 | 50% | 0.495 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.2 | -30.8 | 179.4 | -59.5 | 86 | 165 | 0 | 0 | 112.3 | V239 V276 Q282 | V239-E278 HydrophobicContact CG2-CB 3.76Å; V276-E278 VanDerWaalsContact C-N 3.26Å; V276-E278 HydrophobicContact CG1-CB 4.44Å; V276-E278 WeakPolarHBondContact CG1-OE2 3.45Å; V276-E278 PolarHBondContact O-N 2.9Å; E278-Q282 WeakPolarHBondContact O-CG 3.27Å; E278-Q282 PolarHBondContact O-N 3.49Å |
| 279 | V | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77 | -42.3 | 175.1 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | R238 V239 L242 A271 D274 V276 P277 L281 Q282 G283 | R238-V279 HydrophobicContact CB-CG2 4.21Å; V239-V279 HydrophobicContact CG2-CG2 3.83Å; L242-V279 HydrophobicContact CD1-CG1 3.7Å; A271-V279 HydrophobicContact CB-CG1 4.04Å; D274-V279 HydrophobicContact CB-CB 3.9Å; D274-V279 HydrophobicContact CB-CG1 3.63Å; D274-V279 WeakPolarHBondContact OD2-CG1 3.39Å; V276-V279 HydrophobicContact CB-CB 4.23Å; V276-V279 HydrophobicContact CB-CG2 3.92Å; V276-V279 HydrophobicContact CG1-CG2 3.93Å; V276-V279 WeakPolarHBondContact O-CB 3.38Å; V276-V279 PolarHBondContact O-N 3.49Å; P277-V279 VanDerWaalsContact C-N 3.27Å; P277-V279 PolarHBondContact O-N 3.44Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 3.31Å; V279-Q282 PolarHBondContact O-N 3.17Å; V279-G283 PolarHBondContact O-N 3.02Å; V279-G283 VanDerWaalsContact O-N 3.1Å |
| 280 | A | 98 | Very high | 97.8 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A271 V276 P277 Q282 G283 I284 P348 | A271-A280 WeakPolarHBondContact O-CA 3.28Å; V276-A280 PolarHBondContact O-N 3.43Å; V276-A280 VanDerWaalsContact O-N 3.08Å; P277-A280 PolarHBondContact O-N 3.25Å; A280-Q282 VanDerWaalsContact C-N 3.32Å; A280-Q282 PolarHBondContact O-N 3.44Å; A280-G283 PolarHBondContact O-N 3.08Å; A280-G283 VanDerWaalsContact O-N 3.1Å; A280-I284 WeakPolarHBondContact O-CG1 3.19Å; A280-I284 PolarHBondContact O-N 3.22Å; A280-P348 HydrophobicContact CB-CG 4.32Å |
| 281 | L | 98.2 | Very high | 97.8 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.9 | -46.8 | 174.3 | -78.9 | 172.9 | 0 | 0 | 0 | 111.7 | P277 V279 G283 I284 E285 P348 A351 | P277-L281 WeakPolarHBondContact O-CB 3.16Å; P277-L281 VanDerWaalsContact O-CG 3.31Å; P277-L281 WeakPolarHBondContact O-CG 3.44Å; P277-L281 PolarHBondContact O-N 3.19Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 3.31Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 2.93Å; L281-I284 PolarHBondContact O-N 3.44Å; L281-E285 VanDerWaalsContact O-CB 3.29Å; L281-E285 WeakPolarHBondContact O-CB 3.46Å; L281-E285 PolarHBondContact O-N 2.9Å; L281-P348 HydrophobicContact CD2-CG 4.44Å; L281-P348 HydrophobicContact CG-CG 4.23Å; L281-A351 HydrophobicContact CD2-CB 3.65Å |
| 282 | Q | 98.5 | Very high | 97.8 | Very high | 30 Ų | 30 | 34.5 Ų | 34.5 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.9 | -29.4 | 179.3 | -61.3 | -54.2 | -47.9 | 0 | 0 | 113.5 | V239 L242 Q243 E278 V279 A280 F286 | V239-Q282 HydrophobicContact CG1-CG 4.03Å; L242-Q282 HydrophobicContact CB-CB 3.52Å; L242-Q282 HydrophobicContact CB-CG 4.18Å; L242-Q282 HydrophobicContact CD1-CB 3.92Å; L242-Q282 HydrophobicContact CG-CB 4.32Å; Q243-Q282 HydrophobicContact CG-CG 4.2Å; E278-Q282 WeakPolarHBondContact O-CG 3.27Å; E278-Q282 PolarHBondContact O-N 3.49Å; V279-Q282 PolarHBondContact O-N 3.17Å; A280-Q282 VanDerWaalsContact C-N 3.32Å; A280-Q282 PolarHBondContact O-N 3.44Å; Q282-F286 PolarHBondContact O-N 3.45Å; Q282-F286 VanDerWaalsContact O-N 3.08Å |
| 283 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M272 V279 A280 L281 | M272-G283 VanDerWaalsContact CG-C 3.46Å; V279-G283 PolarHBondContact O-N 3.02Å; V279-G283 VanDerWaalsContact O-N 3.1Å; A280-G283 PolarHBondContact O-N 3.08Å; A280-G283 VanDerWaalsContact O-N 3.1Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 2.93Å |
| 284 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.4 | -43.1 | 176 | -62 | 161.8 | 0 | 0 | 0 | 110.5 | M272 A280 L281 F286 W287 S288 L330 I333 P348 A351 S352 C355 | M272-I284 HydrophobicContact CE-CG1 4.2Å; M272-I284 HydrophobicContact CG-CG1 4.27Å; A280-I284 WeakPolarHBondContact O-CG1 3.19Å; A280-I284 PolarHBondContact O-N 3.22Å; L281-I284 PolarHBondContact O-N 3.44Å; I284-F286 VanDerWaalsContact C-N 3.31Å; I284-F286 PolarHBondContact O-N 3.48Å; I284-W287 PolarHBondContact O-N 3.21Å; I284-W287 VanDerWaalsContact O-N 3.16Å; I284-S288 PolarHBondContact O-N 3.31Å; I284-S288 PolarHBondContact O-OG 3.46Å; I284-L330 HydrophobicContact CG1-CD2 4.22Å; I284-L330 HydrophobicContact CG2-CD2 4.25Å; I284-I333 HydrophobicContact CD1-CD1 4.12Å; I284-P348 HydrophobicContact CD1-CB 4.2Å; I284-A351 HydrophobicContact CB-CB 4.43Å; I284-A351 HydrophobicContact CD1-CB 4.14Å; I284-A351 HydrophobicContact CG2-CB 3.91Å; I284-A351 WeakPolarHBondContact CG2-O 3.33Å; I284-S352 WeakPolarHBondContact CD1-OG 3.49Å; I284-C355 HydrophobicContact CG2-CB 3.55Å |
| 285 | E | 98.6 | Very high | 97.8 | Very high | 72 Ų | 72 | 30.1 Ų | 30.1 | 34% | 0.336 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.3 | -45.9 | 177.7 | -172.5 | 63.4 | -160.6 | 0 | 0 | 111 | V246 L281 W287 S288 T289 | V246-E285 HydrophobicContact CG1-CG 3.99Å; V246-E285 HydrophobicContact CG2-CB 4.29Å; V246-E285 HydrophobicContact CG2-CG 4.09Å; L281-E285 VanDerWaalsContact O-CB 3.29Å; L281-E285 WeakPolarHBondContact O-CB 3.46Å; L281-E285 PolarHBondContact O-N 2.9Å; E285-W287 VanDerWaalsContact C-N 3.28Å; E285-W287 PolarHBondContact O-N 2.89Å; E285-S288 WeakPolarHBondContact O-CA 3.5Å; E285-S288 WeakPolarHBondContact O-CB 3.42Å; E285-S288 PolarHBondContact O-N 3.07Å; E285-T289 PolarHBondContact O-N 2.83Å; E285-T289 PolarHBondContact O-OG1 3.15Å; E285-T289 VanDerWaalsContact O-OG1 3.07Å |
| 286 | F | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.9 | -44.8 | 177.2 | -179 | -84.7 | 0 | 0 | 0 | 112.9 | L245 V246 M249 M260 L264 T268 Q282 I284 V290 | L245-F286 HydrophobicContact CB-CD2 4.21Å; L245-F286 HydrophobicContact CB-CE2 4.22Å; V246-F286 HydrophobicContact CG2-CB 4.05Å; V246-F286 HydrophobicContact CG2-CD2 4.49Å; M249-F286 HydrophobicContact CB-CE2 4.13Å; M249-F286 HydrophobicContact CE-CE1 4.12Å; M249-F286 HydrophobicContact CE-CE2 3.86Å; M249-F286 HydrophobicContact CE-CZ 3.33Å; M260-F286 HydrophobicContact CE-CE1 4.11Å; M260-F286 HydrophobicContact CE-CZ 4.05Å; L264-F286 HydrophobicContact CB-CZ 4.16Å; L264-F286 HydrophobicContact CD1-CZ 4.25Å; T268-F286 HydrophobicContact CG2-CB 4.03Å; T268-F286 HydrophobicContact CG2-CD1 3.52Å; T268-F286 HydrophobicContact CG2-CD2 3.76Å; T268-F286 HydrophobicContact CG2-CE1 3.8Å; T268-F286 HydrophobicContact CG2-CE2 4.02Å; T268-F286 HydrophobicContact CG2-CG 3.47Å; T268-F286 VanDerWaalsContact CG2-CG 3.47Å; T268-F286 HydrophobicContact CG2-CZ 4.02Å; Q282-F286 PolarHBondContact O-N 3.45Å; Q282-F286 VanDerWaalsContact O-N 3.08Å; I284-F286 VanDerWaalsContact C-N 3.31Å; I284-F286 PolarHBondContact O-N 3.48Å; F286-V290 HydrophobicContact CD1-CG2 4.15Å; F286-V290 HydrophobicContact CE1-CG2 3.86Å; F286-V290 HydrophobicContact CZ-CG2 4.44Å; F286-V290 VanDerWaalsContact O-CG2 3.32Å; F286-V290 WeakPolarHBondContact O-CG2 3.19Å; F286-V290 PolarHBondContact O-N 3.23Å |
| 287 | W | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -76.1 | -27.4 | 179.8 | -73.9 | 111 | 0 | 0 | 0 | 113.1 | M260 F265 T268 M272 I284 E285 V290 C291 A322 I326 | M260-W287 HydrophobicContact SD-CH2 4.28Å; F265-W287 AromaticContact CD2-CH2 3.94Å; F265-W287 HydrophobicContact CD2-CH2 3.94Å; F265-W287 AromaticContact CD2-CZ2 3.72Å; F265-W287 HydrophobicContact CD2-CZ2 3.72Å; F265-W287 HydrophobicContact CE2-CH2 4.49Å; F265-W287 HydrophobicContact CE2-CZ2 4.23Å; T268-W287 PolarHBondContact OG1-NE1 2.99Å; M272-W287 VanDerWaalsContact SD-CD1 3.54Å; I284-W287 PolarHBondContact O-N 3.21Å; I284-W287 VanDerWaalsContact O-N 3.16Å; E285-W287 VanDerWaalsContact C-N 3.28Å; E285-W287 PolarHBondContact O-N 2.89Å; W287-V290 HydrophobicContact CE3-CB 4.16Å; W287-V290 HydrophobicContact CE3-CG1 4.19Å; W287-V290 HydrophobicContact CE3-CG2 4.25Å; W287-V290 HydrophobicContact CZ3-CG1 4.24Å; W287-V290 PolarHBondContact O-N 3.3Å; W287-C291 PolarHBondContact O-N 3.1Å; W287-C291 VanDerWaalsContact O-N 3.13Å; W287-C291 PolarHBondContact O-SG 2.94Å; W287-A322 HydrophobicContact CE3-CB 4.35Å; W287-A322 HydrophobicContact CH2-CB 3.22Å; W287-A322 HydrophobicContact CZ2-CB 3.86Å; W287-A322 HydrophobicContact CZ3-CB 3.51Å; W287-I326 HydrophobicContact CB-CD1 4.37Å; W287-I326 HydrophobicContact CD2-CD1 3.17Å; W287-I326 HydrophobicContact CD2-CG1 4.06Å; W287-I326 VanDerWaalsContact CE2-CD1 3.43Å; W287-I326 HydrophobicContact CE3-CD1 3.33Å; W287-I326 HydrophobicContact CG-CD1 3.66Å; W287-I326 HydrophobicContact CG-CG1 4.25Å; W287-I326 HydrophobicContact CG-CG2 4.47Å; W287-I326 HydrophobicContact CH2-CD1 3.96Å; W287-I326 HydrophobicContact CZ2-CD1 3.83Å; W287-I326 HydrophobicContact CZ2-CG1 4.36Å; W287-I326 HydrophobicContact CZ3-CD1 3.72Å |
| 288 | S | 98.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 170.7 | -54 | 0 | 0 | 0 | 0 | 110.1 | I284 E285 V290 C291 D292 C355 | I284-S288 PolarHBondContact O-N 3.31Å; I284-S288 PolarHBondContact O-OG 3.46Å; E285-S288 WeakPolarHBondContact O-CA 3.5Å; E285-S288 WeakPolarHBondContact O-CB 3.42Å; E285-S288 PolarHBondContact O-N 3.07Å; S288-V290 VanDerWaalsContact C-N 3.34Å; S288-V290 PolarHBondContact O-N 3.45Å; S288-C291 WeakPolarHBondContact O-CA 3.39Å; S288-C291 WeakPolarHBondContact O-CB 3.23Å; S288-C291 PolarHBondContact O-N 3.09Å; S288-D292 PolarHBondContact O-N 3.04Å; S288-C355 WeakPolarHBondContact OG-CB 3.37Å; S288-C355 PolarHBondContact OG-SG 2.69Å |
| 289 | T | 98.5 | Very high | 97.4 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 8% | 0.08 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -40.5 | 173.9 | -52.3 | 0 | 0 | 0 | 0 | 112.7 | V246 E285 C291 D292 E293 | V246-T289 HydrophobicContact CG1-CG2 4.44Å; V246-T289 WeakPolarHBondContact CG1-OG1 3.47Å; E285-T289 PolarHBondContact O-N 2.83Å; E285-T289 PolarHBondContact O-OG1 3.15Å; E285-T289 VanDerWaalsContact O-OG1 3.07Å; T289-C291 PolarHBondContact O-N 2.95Å; T289-D292 PolarHBondContact O-N 2.74Å; T289-E293 HydrophobicContact CG2-CG 4.36Å; T289-E293 VanDerWaalsContact O-CG 3.26Å; T289-E293 WeakPolarHBondContact O-CG 3.38Å; T289-E293 PolarHBondContact O-N 3.37Å |
| 290 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 173.8 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | M249 F286 W287 S288 E294 A319 | M249-V290 HydrophobicContact CE-CG2 4.09Å; M249-V290 HydrophobicContact CG-CG2 3.71Å; M249-V290 HydrophobicContact SD-CG2 4.03Å; F286-V290 HydrophobicContact CD1-CG2 4.15Å; F286-V290 HydrophobicContact CE1-CG2 3.86Å; F286-V290 HydrophobicContact CZ-CG2 4.44Å; F286-V290 VanDerWaalsContact O-CG2 3.32Å; F286-V290 WeakPolarHBondContact O-CG2 3.19Å; F286-V290 PolarHBondContact O-N 3.23Å; W287-V290 HydrophobicContact CE3-CB 4.16Å; W287-V290 HydrophobicContact CE3-CG1 4.19Å; W287-V290 HydrophobicContact CE3-CG2 4.25Å; W287-V290 HydrophobicContact CZ3-CG1 4.24Å; W287-V290 PolarHBondContact O-N 3.3Å; S288-V290 VanDerWaalsContact C-N 3.34Å; S288-V290 PolarHBondContact O-N 3.45Å; V290-E294 WeakPolarHBondContact O-CB 3.4Å; V290-E294 VanDerWaalsContact O-CG 3.25Å; V290-E294 WeakPolarHBondContact O-CG 3.33Å; V290-E294 PolarHBondContact O-N 3.37Å; V290-E294 VanDerWaalsContact O-N 3.11Å; V290-A319 HydrophobicContact CG1-CB 4.18Å |
| 291 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.9 | -45.9 | 177.2 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | W287 S288 T289 E293 E294 I295 L358 L359 C362 | W287-C291 PolarHBondContact O-N 3.1Å; W287-C291 VanDerWaalsContact O-N 3.13Å; W287-C291 PolarHBondContact O-SG 2.94Å; S288-C291 WeakPolarHBondContact O-CA 3.39Å; S288-C291 WeakPolarHBondContact O-CB 3.23Å; S288-C291 PolarHBondContact O-N 3.09Å; T289-C291 PolarHBondContact O-N 2.95Å; C291-E293 PolarHBondContact O-N 3.43Å; C291-E294 PolarHBondContact O-N 2.97Å; C291-I295 WeakPolarHBondContact O-CB 3.48Å; C291-I295 VanDerWaalsContact O-CG1 3.23Å; C291-I295 WeakPolarHBondContact O-CG1 3.38Å; C291-I295 PolarHBondContact O-N 3.38Å; C291-L358 HydrophobicContact CB-CB 3.71Å; C291-L359 WeakPolarHBondContact SG-CD2 3.46Å; C291-C362 HydrophobicContact CB-CB 4Å |
| 292 | D | 97.9 | Very high | 96.1 | Very high | 66 Ų | 66 | 34.6 Ų | 34.6 | 35% | 0.353 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.8 | -51 | 178.2 | -65.1 | -32 | 0 | 0 | 0 | 110.9 | S288 T289 E294 I295 D296 L358 | S288-D292 PolarHBondContact O-N 3.04Å; T289-D292 PolarHBondContact O-N 2.74Å; D292-E294 VanDerWaalsContact C-N 3.31Å; D292-E294 PolarHBondContact O-N 3.09Å; D292-I295 PolarHBondContact O-N 3.36Å; D292-D296 PolarHBondContact O-N 3.01Å; D292-L358 WeakPolarHBondContact OD1-CD2 3.39Å |
| 293 | E | 97.2 | Very high | 95.4 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 177.6 | -64.8 | -68.5 | 154 | 0 | 0 | 112 | S250 Y253 T289 C291 L297 | S250-E293 WeakPolarHBondContact CA-OE1 3.21Å; S250-E293 VanDerWaalsContact CB-OE1 3.25Å; S250-E293 WeakPolarHBondContact CB-OE1 3.42Å; S250-E293 PolarHBondContact OG-OE1 3.04Å; Y253-E293 HydrophobicContact CD2-CB 4.03Å; Y253-E293 HydrophobicContact CE2-CB 4.45Å; T289-E293 HydrophobicContact CG2-CG 4.36Å; T289-E293 VanDerWaalsContact O-CG 3.26Å; T289-E293 WeakPolarHBondContact O-CG 3.38Å; T289-E293 PolarHBondContact O-N 3.37Å; C291-E293 PolarHBondContact O-N 3.43Å; E293-L297 WeakPolarHBondContact O-CB 3.34Å; E293-L297 WeakPolarHBondContact O-CD1 3.36Å; E293-L297 WeakPolarHBondContact O-CG 3.34Å; E293-L297 PolarHBondContact O-N 3.24Å |
| 294 | E | 98.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.8 | -29 | 179.4 | -72.8 | -175.3 | -179.5 | 0 | 0 | 113.4 | Y253 V290 C291 D292 A298 S315 F317 Y318 A319 | Y253-E294 HydrophobicContact CE2-CG 3.86Å; Y253-E294 WeakPolarHBondContact OH-CG 3.44Å; Y253-E294 PolarHBondContact OH-OE1 2.85Å; V290-E294 WeakPolarHBondContact O-CB 3.4Å; V290-E294 VanDerWaalsContact O-CG 3.25Å; V290-E294 WeakPolarHBondContact O-CG 3.33Å; V290-E294 PolarHBondContact O-N 3.37Å; V290-E294 VanDerWaalsContact O-N 3.11Å; C291-E294 PolarHBondContact O-N 2.97Å; D292-E294 VanDerWaalsContact C-N 3.31Å; D292-E294 PolarHBondContact O-N 3.09Å; E294-A298 WeakPolarHBondContact O-CB 3.24Å; E294-A298 PolarHBondContact O-N 2.85Å; E294-A298 VanDerWaalsContact O-N 3.07Å; E294-S315 WeakPolarHBondContact CG-OG 3.46Å; E294-F317 PolarHBondContact OE1-N 2.77Å; E294-F317 WeakPolarHBondContact OE2-CA 3.26Å; E294-Y318 WeakPolarHBondContact OE1-CA 3.31Å; E294-Y318 WeakPolarHBondContact OE1-CB 3.3Å; E294-Y318 PolarHBondContact OE1-N 3.16Å; E294-Y318 PolarHBondContact OE2-N 3.12Å; E294-A319 VanDerWaalsContact OE2-CB 3.3Å; E294-A319 WeakPolarHBondContact OE2-CB 3.34Å; E294-A319 PolarHBondContact OE2-N 3Å; E294-A319 VanDerWaalsContact OE2-N 3.14Å |
| 295 | I | 96.6 | Very high | 94 | Very high | 35 Ų | 35 | 46.8 Ų | 46.8 | 18% | 0.179 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -48.8 | 171.6 | -71.3 | 164.2 | 0 | 0 | 0 | 109.5 | C291 D292 L297 A298 I299 Q361 C362 | C291-I295 WeakPolarHBondContact O-CB 3.48Å; C291-I295 VanDerWaalsContact O-CG1 3.23Å; C291-I295 WeakPolarHBondContact O-CG1 3.38Å; C291-I295 PolarHBondContact O-N 3.38Å; D292-I295 PolarHBondContact O-N 3.36Å; I295-L297 VanDerWaalsContact C-N 3.35Å; I295-L297 PolarHBondContact O-N 3.38Å; I295-A298 WeakPolarHBondContact O-CA 3.29Å; I295-A298 WeakPolarHBondContact O-CB 3.48Å; I295-A298 PolarHBondContact O-N 2.9Å; I295-I299 HydrophobicContact CG2-CD1 4.14Å; I295-I299 WeakPolarHBondContact O-CG1 3.29Å; I295-I299 PolarHBondContact O-N 3.33Å; I295-Q361 HydrophobicContact CD1-CB 3.98Å; I295-C362 HydrophobicContact CD1-CB 4.01Å; I295-C362 HydrophobicContact CG1-CB 3.8Å |
| 296 | D | 94.6 | Very high | 93 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.4 | -75.5 | -16.9 | 0 | 0 | 0 | 111.4 | D292 A298 I299 D300 | D292-D296 PolarHBondContact O-N 3.01Å; D296-A298 VanDerWaalsContact C-N 3.27Å; D296-A298 PolarHBondContact O-N 3.25Å; D296-I299 WeakPolarHBondContact O-CB 3.32Å; D296-I299 PolarHBondContact O-N 3.46Å; D296-I299 VanDerWaalsContact O-N 3.16Å; D296-D300 PolarHBondContact O-N 2.87Å |
| 297 | L | 95.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -33.5 | 174.1 | -72.2 | 171.9 | 0 | 0 | 0 | 112.6 | Y253 E293 I295 V301 V313 | Y253-L297 HydrophobicContact CD1-CD1 3.91Å; Y253-L297 HydrophobicContact CE1-CD1 3.72Å; Y253-L297 HydrophobicContact CG-CD1 4.49Å; E293-L297 WeakPolarHBondContact O-CB 3.34Å; E293-L297 WeakPolarHBondContact O-CD1 3.36Å; E293-L297 WeakPolarHBondContact O-CG 3.34Å; E293-L297 PolarHBondContact O-N 3.24Å; I295-L297 VanDerWaalsContact C-N 3.35Å; I295-L297 PolarHBondContact O-N 3.38Å; L297-V301 WeakPolarHBondContact O-CB 3.44Å; L297-V301 WeakPolarHBondContact O-CG2 3.29Å; L297-V301 PolarHBondContact O-N 3.5Å; L297-V313 HydrophobicContact CD1-CG1 4.37Å; L297-V313 HydrophobicContact CD2-CB 3.77Å; L297-V313 HydrophobicContact CD2-CG1 3.79Å |
| 298 | A | 93.7 | Very high | 91.2 | Very high | 60 Ų | 60 | 58.6 Ų | 58.6 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | E294 I295 D296 V301 A302 | E294-A298 WeakPolarHBondContact O-CB 3.24Å; E294-A298 PolarHBondContact O-N 2.85Å; E294-A298 VanDerWaalsContact O-N 3.07Å; I295-A298 WeakPolarHBondContact O-CA 3.29Å; I295-A298 WeakPolarHBondContact O-CB 3.48Å; I295-A298 PolarHBondContact O-N 2.9Å; D296-A298 VanDerWaalsContact C-N 3.27Å; D296-A298 PolarHBondContact O-N 3.25Å; A298-V301 PolarHBondContact O-N 3.01Å; A298-A302 PolarHBondContact O-N 2.82Å |
| 299 | I | 91.7 | Very high | 90.5 | Very high | 85 Ų | 85 | 64 Ų | 64 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 173 | -64.7 | 167.5 | 0 | 0 | 0 | 109.9 | I295 D296 V301 A302 E303 | I295-I299 HydrophobicContact CG2-CD1 4.14Å; I295-I299 WeakPolarHBondContact O-CG1 3.29Å; I295-I299 PolarHBondContact O-N 3.33Å; D296-I299 WeakPolarHBondContact O-CB 3.32Å; D296-I299 PolarHBondContact O-N 3.46Å; D296-I299 VanDerWaalsContact O-N 3.16Å; I299-V301 VanDerWaalsContact C-N 3.3Å; I299-V301 PolarHBondContact O-N 2.9Å; I299-A302 WeakPolarHBondContact O-CB 3.39Å; I299-A302 PolarHBondContact O-N 3.21Å; I299-E303 PolarHBondContact O-N 3.07Å |
| 300 | D | 88.3 | Confident | 89.9 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.6 | -42.3 | 176.6 | -87.3 | -7.1 | 0 | 0 | 0 | 112.2 | D296 E303 C304 | D296-D300 PolarHBondContact O-N 2.87Å; D300-E303 PolarHBondContact O-N 2.99Å; D300-C304 VanDerWaalsContact O-CB 3.24Å; D300-C304 WeakPolarHBondContact O-CB 3.37Å; D300-C304 PolarHBondContact O-N 2.77Å; D300-C304 PolarHBondContact O-SG 2.98Å |
| 301 | V | 91.1 | Very high | 89.3 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 38% | 0.382 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.8 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | L297 A298 I299 C304 F305 P311 | L297-V301 WeakPolarHBondContact O-CB 3.44Å; L297-V301 WeakPolarHBondContact O-CG2 3.29Å; L297-V301 PolarHBondContact O-N 3.5Å; A298-V301 PolarHBondContact O-N 3.01Å; I299-V301 VanDerWaalsContact C-N 3.3Å; I299-V301 PolarHBondContact O-N 2.9Å; V301-C304 PolarHBondContact O-N 3.05Å; V301-F305 VanDerWaalsContact O-CB 3.28Å; V301-F305 WeakPolarHBondContact O-CB 3.5Å; V301-F305 PolarHBondContact O-N 3.39Å; V301-P311 HydrophobicContact CG2-CB 4.03Å; V301-P311 HydrophobicContact CG2-CG 3.97Å |
| 302 | A | 88.7 | Confident | 88.7 | Confident | 50 Ų | 50 | 75.9 Ų | 75.9 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A298 I299 F305 E306 | A298-A302 PolarHBondContact O-N 2.82Å; I299-A302 WeakPolarHBondContact O-CB 3.39Å; I299-A302 PolarHBondContact O-N 3.21Å; A302-F305 PolarHBondContact O-N 3.06Å; A302-E306 WeakPolarHBondContact O-CG 3.41Å; A302-E306 PolarHBondContact O-N 3.04Å; A302-E306 VanDerWaalsContact O-N 3.11Å |
| 303 | E | 82.6 | Confident | 88.3 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 42% | 0.416 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 175.5 | -71.8 | -158 | -176.2 | 0 | 0 | 113.2 | I299 D300 F305 E306 K307 | I299-E303 PolarHBondContact O-N 3.07Å; D300-E303 PolarHBondContact O-N 2.99Å; E303-F305 VanDerWaalsContact C-N 3.32Å; E303-F305 PolarHBondContact O-N 3.29Å; E303-E306 PolarHBondContact O-N 2.81Å; E303-K307 WeakPolarHBondContact O-CG 3.47Å; E303-K307 PolarHBondContact O-N 3.42Å; E303-K307 IonicContact OE2-NZ 3.99Å; E303-K307 PolarHBondContact OE2-NZ 2.73Å |
| 304 | C | 83.4 | Confident | 87.9 | Confident | 23 Ų | 23 | 77.1 Ų | 77.1 | 16% | 0.155 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 178.3 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | D300 V301 E306 K307 G308 Q309 P311 | D300-C304 VanDerWaalsContact O-CB 3.24Å; D300-C304 WeakPolarHBondContact O-CB 3.37Å; D300-C304 PolarHBondContact O-N 2.77Å; D300-C304 PolarHBondContact O-SG 2.98Å; V301-C304 PolarHBondContact O-N 3.05Å; C304-E306 VanDerWaalsContact C-N 3.32Å; C304-E306 PolarHBondContact O-N 3.18Å; C304-K307 CarbonylContact O-C 3.11Å; C304-K307 PolarHBondContact O-N 2.5Å; C304-G308 PolarHBondContact O-N 2.96Å; C304-Q309 CarbonylContact C-O 3.59Å; C304-Q309 VanDerWaalsContact C-O 3.31Å; C304-Q309 WeakPolarHBondContact CB-O 3.41Å; C304-Q309 PolarHBondContact O-N 3.44Å; C304-Q309 VanDerWaalsContact O-O 3.06Å; C304-P311 HydrophobicContact CB-CB 4.44Å |
| 305 | F | 85.1 | Confident | 87.8 | Confident | 174 Ų | 174 | 77.6 Ų | 77.6 | 76% | 0.763 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.7 | -42 | 175 | -177.8 | -98.5 | 0 | 0 | 0 | 111.7 | V301 A302 E303 K307 G308 | V301-F305 VanDerWaalsContact O-CB 3.28Å; V301-F305 WeakPolarHBondContact O-CB 3.5Å; V301-F305 PolarHBondContact O-N 3.39Å; A302-F305 PolarHBondContact O-N 3.06Å; E303-F305 VanDerWaalsContact C-N 3.32Å; E303-F305 PolarHBondContact O-N 3.29Å; F305-K307 VanDerWaalsContact C-N 3.35Å; F305-K307 PolarHBondContact O-N 3.06Å; F305-G308 PolarHBondContact O-N 3.32Å |
| 306 | E | 76.4 | Confident | 87.7 | Confident | 122 Ų | 122 | 79.5 Ų | 79.5 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.8 | -35.6 | 175.5 | -71.1 | -178.3 | -171 | 0 | 0 | 113.2 | A302 E303 C304 G308 K879 | A302-E306 WeakPolarHBondContact O-CG 3.41Å; A302-E306 PolarHBondContact O-N 3.04Å; A302-E306 VanDerWaalsContact O-N 3.11Å; E303-E306 PolarHBondContact O-N 2.81Å; C304-E306 VanDerWaalsContact C-N 3.32Å; C304-E306 PolarHBondContact O-N 3.18Å; E306-G308 VanDerWaalsContact C-N 3.29Å; E306-K879 IonicContact OE1-NZ 2.71Å; E306-K879 PolarHBondContact OE1-NZ 2.92Å; E306-K879 WeakPolarHBondContact OE2-CE 3.29Å; E306-K879 IonicContact OE2-NZ 2.75Å; E306-K879 PolarHBondContact OE2-NZ 2.8Å |
| 307 | K | 76.9 | Confident | 87.8 | Confident | 130 Ų | 130 | 81.3 Ų | 81.3 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -79.2 | -9.6 | 175.7 | -66.2 | 165.2 | -170.5 | 161 | 0 | 112.7 | E303 C304 F305 Q309 | E303-K307 WeakPolarHBondContact O-CG 3.47Å; E303-K307 PolarHBondContact O-N 3.42Å; E303-K307 IonicContact OE2-NZ 3.99Å; E303-K307 PolarHBondContact OE2-NZ 2.73Å; C304-K307 CarbonylContact O-C 3.11Å; C304-K307 PolarHBondContact O-N 2.5Å; F305-K307 VanDerWaalsContact C-N 3.35Å; F305-K307 PolarHBondContact O-N 3.06Å; K307-Q309 VanDerWaalsContact C-N 3.32Å; K307-Q309 HydrophobicContact CB-CG 4.4Å |
| 308 | G | 83.3 | Confident | 87.9 | Confident | 70 Ų | 70 | 81.7 Ų | 81.7 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 27.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C304 F305 E306 | C304-G308 PolarHBondContact O-N 2.96Å; F305-G308 PolarHBondContact O-N 3.32Å; E306-G308 VanDerWaalsContact C-N 3.29Å |
| 309 | Q | 83.4 | Confident | 88.1 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 58% | 0.575 | 45% | 0.446 | S | S | * | . | trans | -114.3 | 151 | -179.2 | -65.9 | 179.2 | -9.1 | 0 | 0 | 110 | C304 K307 | C304-Q309 CarbonylContact C-O 3.59Å; C304-Q309 VanDerWaalsContact C-O 3.31Å; C304-Q309 WeakPolarHBondContact CB-O 3.41Å; C304-Q309 PolarHBondContact O-N 3.44Å; C304-Q309 VanDerWaalsContact O-O 3.06Å; K307-Q309 VanDerWaalsContact C-N 3.32Å; K307-Q309 HydrophobicContact CB-CG 4.4Å | ||
| 310 | P | 85.8 | Confident | 88.4 | Confident | 114 Ų | 114 | 80.3 Ų | 80.3 | 74% | 0.74 | 45% | 0.45 | S | S | * | . | trans | -74.8 | 145.8 | 168.7 | 30.9 | -32.6 | 0 | 0 | 0 | 110.6 | ||||
| 311 | P | 87.1 | Confident | 88.8 | Confident | 38 Ų | 38 | 79 Ų | 79 | 25% | 0.247 | 46% | 0.456 | C | S | . | . | trans | -67 | 148.9 | 173.8 | 32.5 | -38.4 | 0 | 0 | 0 | 110.8 | V301 C304 | V301-P311 HydrophobicContact CG2-CB 4.03Å; V301-P311 HydrophobicContact CG2-CG 3.97Å; C304-P311 HydrophobicContact CB-CB 4.44Å | ||
| 312 | A | 86.3 | Confident | 89.1 | Confident | 110 Ų | 110 | 76.1 Ų | 76.1 | 91% | 0.909 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -70.8 | -37.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 313 | V | 88 | Confident | 89.5 | Confident | 58 Ų | 58 | 74 Ų | 74 | 35% | 0.352 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -125.1 | 140.4 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | L297 | L297-V313 HydrophobicContact CD1-CG1 4.37Å; L297-V313 HydrophobicContact CD2-CB 3.77Å; L297-V313 HydrophobicContact CD2-CG1 3.79Å |
| 314 | S | 90.3 | Very high | 90.2 | Very high | 75 Ų | 75 | 75.4 Ų | 75.4 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | trans | -109.4 | 137.6 | 174.9 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 315 | S | 94.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 78.8 Ų | 78.8 | 12% | 0.119 | 44% | 0.439 | C | S | . | . | trans | -60.8 | 139.9 | 171.3 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | E294 F317 | E294-S315 WeakPolarHBondContact CG-OG 3.46Å; S315-F317 WeakPolarHBondContact O-CD2 3.44Å; S315-F317 WeakPolarHBondContact O-CE2 3.27Å; S315-F317 PolarHBondContact OG-N 2.99Å; S315-F317 VanDerWaalsContact OG-N 3.1Å | ||
| 316 | M | 95.6 | Very high | 91.5 | Very high | 75 Ų | 75 | 70.5 Ų | 70.5 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | trans | -94.7 | -1.6 | 174 | -61.9 | -60.9 | -72.7 | 0 | 0 | 112 | Y253 E257 Y318 | Y253-M316 HydrophobicContact CE1-CB 4.35Å; Y253-M316 HydrophobicContact CE1-CG 4.14Å; Y253-M316 PolarHBondContact OH-N 2.97Å; E257-M316 HydrophobicContact CB-CE 4.13Å; E257-M316 HydrophobicContact CG-CE 3.68Å; E257-M316 WeakPolarHBondContact OE1-CE 3.33Å; E257-M316 WeakPolarHBondContact OE2-CE 3.48Å; M316-Y318 VanDerWaalsContact C-N 3.3Å; M316-Y318 HydrophobicContact CB-CD1 4.1Å; M316-Y318 HydrophobicContact CB-CD2 4.21Å; M316-Y318 HydrophobicContact CB-CE1 3.63Å; M316-Y318 HydrophobicContact CB-CE2 3.75Å; M316-Y318 HydrophobicContact CB-CG 4.37Å; M316-Y318 VanDerWaalsContact CB-CZ 3.42Å; M316-Y318 HydrophobicContact CG-CE1 4.42Å; M316-Y318 HydrophobicContact CG-CE2 4.25Å; M316-Y318 PolarHBondContact O-N 3.48Å | ||
| 317 | F | 96.6 | Very high | 92.6 | Very high | 130 Ų | 130 | 64.7 Ų | 64.7 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | trans | 54.7 | 42.2 | 177.5 | -53.6 | -83.5 | 0 | 0 | 0 | 113 | E294 S315 A319 K320 G321 | E294-F317 PolarHBondContact OE1-N 2.77Å; E294-F317 WeakPolarHBondContact OE2-CA 3.26Å; S315-F317 WeakPolarHBondContact O-CD2 3.44Å; S315-F317 WeakPolarHBondContact O-CE2 3.27Å; S315-F317 PolarHBondContact OG-N 2.99Å; S315-F317 VanDerWaalsContact OG-N 3.1Å; F317-A319 VanDerWaalsContact C-N 3.34Å; F317-K320 HydrophobicContact CB-CB 4.18Å; F317-K320 PolarHBondContact O-N 2.95Å; F317-G321 PolarHBondContact O-N 3.28Å | ||
| 318 | Y | 97.7 | Very high | 93.6 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 176.5 | -60.5 | -51 | 0 | 0 | 0 | 111.5 | Y253 E257 M260 E294 M316 K320 G321 A322 | Y253-Y318 HydrophobicContact CD2-CD2 4.47Å; Y253-Y318 HydrophobicContact CD2-CE2 4.36Å; Y253-Y318 HydrophobicContact CE1-CE2 4.1Å; Y253-Y318 AromaticContact CE2-CD2 3.58Å; Y253-Y318 HydrophobicContact CE2-CD2 3.58Å; Y253-Y318 AromaticContact CE2-CE2 3.74Å; Y253-Y318 HydrophobicContact CE2-CE2 3.74Å; Y253-Y318 AromaticContact CZ-CD2 3.62Å; Y253-Y318 AromaticContact CZ-CE2 3.57Å; Y253-Y318 WeakPolarHBondContact OH-CD2 3.48Å; E257-Y318 WeakPolarHBondContact CA-OH 3.46Å; E257-Y318 WeakPolarHBondContact CB-OH 3.46Å; E257-Y318 PolarHBondContact N-OH 2.82Å; M260-Y318 HydrophobicContact CB-CD1 4.29Å; M260-Y318 HydrophobicContact CB-CE1 3.91Å; M260-Y318 HydrophobicContact CE-CD1 4.15Å; M260-Y318 HydrophobicContact CE-CD2 3.8Å; M260-Y318 HydrophobicContact CE-CE2 4.21Å; M260-Y318 HydrophobicContact CE-CG 3.78Å; M260-Y318 HydrophobicContact CG-CD1 3.64Å; M260-Y318 HydrophobicContact CG-CE1 3.79Å; M260-Y318 HydrophobicContact CG-CG 4.22Å; E294-Y318 WeakPolarHBondContact OE1-CA 3.31Å; E294-Y318 WeakPolarHBondContact OE1-CB 3.3Å; E294-Y318 PolarHBondContact OE1-N 3.16Å; E294-Y318 PolarHBondContact OE2-N 3.12Å; M316-Y318 VanDerWaalsContact C-N 3.3Å; M316-Y318 HydrophobicContact CB-CD1 4.1Å; M316-Y318 HydrophobicContact CB-CD2 4.21Å; M316-Y318 HydrophobicContact CB-CE1 3.63Å; M316-Y318 HydrophobicContact CB-CE2 3.75Å; M316-Y318 HydrophobicContact CB-CG 4.37Å; M316-Y318 VanDerWaalsContact CB-CZ 3.42Å; M316-Y318 HydrophobicContact CG-CE1 4.42Å; M316-Y318 HydrophobicContact CG-CE2 4.25Å; M316-Y318 PolarHBondContact O-N 3.48Å; Y318-K320 PolarHBondContact O-N 3.22Å; Y318-G321 PolarHBondContact O-N 3.5Å; Y318-A322 VanDerWaalsContact O-CB 3.29Å; Y318-A322 WeakPolarHBondContact O-CB 3.36Å; Y318-A322 PolarHBondContact O-N 2.71Å |
| 319 | A | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -50.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | V290 E294 F317 G321 A322 L323 L359 | V290-A319 HydrophobicContact CG1-CB 4.18Å; E294-A319 VanDerWaalsContact OE2-CB 3.3Å; E294-A319 WeakPolarHBondContact OE2-CB 3.34Å; E294-A319 PolarHBondContact OE2-N 3Å; E294-A319 VanDerWaalsContact OE2-N 3.14Å; F317-A319 VanDerWaalsContact C-N 3.34Å; A319-G321 VanDerWaalsContact C-N 3.34Å; A319-G321 PolarHBondContact O-N 3.43Å; A319-A322 PolarHBondContact O-N 2.83Å; A319-L323 WeakPolarHBondContact O-CA 3.3Å; A319-L323 WeakPolarHBondContact O-CB 3.48Å; A319-L323 PolarHBondContact O-N 3.07Å; A319-L359 HydrophobicContact CB-CD2 4.12Å |
| 320 | K | 97 | Very high | 95 | Very high | 117 Ų | 117 | 52.7 Ų | 52.7 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177 | -170.7 | 172.3 | -172.9 | 159.5 | 0 | 112.9 | F317 Y318 A322 C363 | F317-K320 HydrophobicContact CB-CB 4.18Å; F317-K320 PolarHBondContact O-N 2.95Å; Y318-K320 PolarHBondContact O-N 3.22Å; K320-A322 VanDerWaalsContact C-N 3.33Å; K320-C363 PolarHBondContact N-SG 2.93Å |
| 321 | G | 96.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 58% | 0.577 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.1 | -30.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F317 Y318 A319 | F317-G321 PolarHBondContact O-N 3.28Å; Y318-G321 PolarHBondContact O-N 3.5Å; A319-G321 VanDerWaalsContact C-N 3.34Å; A319-G321 PolarHBondContact O-N 3.43Å |
| 322 | A | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -97.6 | -11 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F265 W287 Y318 A319 K320 Q324 F325 I326 | F265-A322 HydrophobicContact CD2-CB 4.13Å; F265-A322 HydrophobicContact CE2-CB 3.73Å; W287-A322 HydrophobicContact CE3-CB 4.35Å; W287-A322 HydrophobicContact CH2-CB 3.22Å; W287-A322 HydrophobicContact CZ2-CB 3.86Å; W287-A322 HydrophobicContact CZ3-CB 3.51Å; Y318-A322 VanDerWaalsContact O-CB 3.29Å; Y318-A322 WeakPolarHBondContact O-CB 3.36Å; Y318-A322 PolarHBondContact O-N 2.71Å; A319-A322 PolarHBondContact O-N 2.83Å; K320-A322 VanDerWaalsContact C-N 3.33Å; A322-Q324 VanDerWaalsContact C-N 3.32Å; A322-Q324 PolarHBondContact O-N 3.18Å; A322-Q324 VanDerWaalsContact O-N 3.14Å; A322-F325 WeakPolarHBondContact O-CB 3.39Å; A322-F325 PolarHBondContact O-N 3.49Å; A322-I326 HydrophobicContact CB-CD1 3.37Å; A322-I326 HydrophobicContact CB-CG1 4.08Å; A322-I326 WeakPolarHBondContact O-CG1 3.49Å; A322-I326 PolarHBondContact O-N 3.08Å; A322-I326 VanDerWaalsContact O-N 3.14Å |
| 323 | L | 97.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -47.3 | -47.6 | -172.6 | -167.3 | 68.8 | 0 | 0 | 0 | 113.8 | A319 F325 I326 V327 L359 C363 P366 I367 L370 | A319-L323 WeakPolarHBondContact O-CA 3.3Å; A319-L323 WeakPolarHBondContact O-CB 3.48Å; A319-L323 PolarHBondContact O-N 3.07Å; L323-F325 PolarHBondContact O-N 3.39Å; L323-F325 VanDerWaalsContact O-N 3.12Å; L323-I326 PolarHBondContact O-N 3.2Å; L323-V327 HydrophobicContact CD1-CG2 3.55Å; L323-V327 HydrophobicContact CG-CG2 3.96Å; L323-V327 WeakPolarHBondContact O-CB 3.19Å; L323-V327 WeakPolarHBondContact O-CG2 3.37Å; L323-V327 PolarHBondContact O-N 3.34Å; L323-L359 HydrophobicContact CD1-CB 4.08Å; L323-L359 HydrophobicContact CD1-CD1 4.36Å; L323-L359 HydrophobicContact CD1-CD2 3.81Å; L323-L359 HydrophobicContact CD1-CG 4.32Å; L323-C363 HydrophobicContact CD1-CB 4.26Å; L323-C363 HydrophobicContact CD2-CB 3.98Å; L323-P366 HydrophobicContact CD2-CB 3.84Å; L323-I367 HydrophobicContact CD1-CD1 4.23Å; L323-I367 HydrophobicContact CD1-CG1 4.17Å; L323-I367 HydrophobicContact CD2-CB 4.31Å; L323-L370 HydrophobicContact CB-CD1 4.38Å; L323-L370 HydrophobicContact CD2-CD1 3.91Å; L323-L370 HydrophobicContact CG-CD1 3.65Å |
| 324 | Q | 97.6 | Very high | 96.9 | Very high | 119 Ų | 119 | 44.2 Ų | 44.2 | 56% | 0.556 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.9 | -17.7 | -179.2 | 69.9 | -179.5 | -10.3 | 0 | 0 | 114.5 | A322 P328 | A322-Q324 VanDerWaalsContact C-N 3.32Å; A322-Q324 PolarHBondContact O-N 3.18Å; A322-Q324 VanDerWaalsContact O-N 3.14Å; Q324-P328 WeakPolarHBondContact O-CD 3.37Å; Q324-P328 WeakPolarHBondContact O-CG 3.31Å |
| 325 | F | 97.8 | Very high | 97.2 | Very high | 93 Ų | 93 | 41.1 Ų | 41.1 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -100.7 | -35.7 | -179.7 | -55.7 | -77.6 | 0 | 0 | 0 | 112.1 | F265 L269 A322 L323 I329 | F265-F325 HydrophobicContact CE2-CB 4.41Å; F265-F325 HydrophobicContact CE2-CD2 4.02Å; F265-F325 HydrophobicContact CE2-CG 4.45Å; F265-F325 HydrophobicContact CZ-CB 3.96Å; F265-F325 HydrophobicContact CZ-CD1 4.46Å; F265-F325 AromaticContact CZ-CD2 3.53Å; F265-F325 HydrophobicContact CZ-CD2 3.53Å; F265-F325 HydrophobicContact CZ-CE2 4.06Å; F265-F325 AromaticContact CZ-CG 3.75Å; F265-F325 HydrophobicContact CZ-CG 3.75Å; L269-F325 HydrophobicContact CD1-CB 4.24Å; A322-F325 WeakPolarHBondContact O-CB 3.39Å; A322-F325 PolarHBondContact O-N 3.49Å; L323-F325 PolarHBondContact O-N 3.39Å; L323-F325 VanDerWaalsContact O-N 3.12Å; F325-I329 WeakPolarHBondContact O-CD1 3.19Å; F325-I329 WeakPolarHBondContact O-CG1 3.44Å |
| 326 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -78.3 | -49.3 | -176.6 | -60.4 | 163.4 | 0 | 0 | 0 | 110.5 | M272 W287 A322 L323 I329 L330 L359 | M272-I326 HydrophobicContact CE-CG2 3.82Å; M272-I326 HydrophobicContact SD-CG2 4.23Å; W287-I326 HydrophobicContact CB-CD1 4.37Å; W287-I326 HydrophobicContact CD2-CD1 3.17Å; W287-I326 HydrophobicContact CD2-CG1 4.06Å; W287-I326 VanDerWaalsContact CE2-CD1 3.43Å; W287-I326 HydrophobicContact CE3-CD1 3.33Å; W287-I326 HydrophobicContact CG-CD1 3.66Å; W287-I326 HydrophobicContact CG-CG1 4.25Å; W287-I326 HydrophobicContact CG-CG2 4.47Å; W287-I326 HydrophobicContact CH2-CD1 3.96Å; W287-I326 HydrophobicContact CZ2-CD1 3.83Å; W287-I326 HydrophobicContact CZ2-CG1 4.36Å; W287-I326 HydrophobicContact CZ3-CD1 3.72Å; A322-I326 HydrophobicContact CB-CD1 3.37Å; A322-I326 HydrophobicContact CB-CG1 4.08Å; A322-I326 WeakPolarHBondContact O-CG1 3.49Å; A322-I326 PolarHBondContact O-N 3.08Å; A322-I326 VanDerWaalsContact O-N 3.14Å; L323-I326 PolarHBondContact O-N 3.2Å; I326-I329 WeakPolarHBondContact O-CA 3.49Å; I326-I329 WeakPolarHBondContact O-CB 3.49Å; I326-I329 PolarHBondContact O-N 3.05Å; I326-L330 HydrophobicContact CG2-CD1 3.76Å; I326-L330 HydrophobicContact CG2-CD2 4.49Å; I326-L330 HydrophobicContact CG2-CG 3.93Å; I326-L330 PolarHBondContact O-N 3.16Å; I326-L359 HydrophobicContact CG2-CD1 3.91Å |
| 327 | V | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.4 | -45.4 | -173.9 | 170.1 | 0 | 0 | 0 | 0 | 112.8 | L323 I329 L330 M331 L356 L359 I367 L370 V371 | L323-V327 HydrophobicContact CD1-CG2 3.55Å; L323-V327 HydrophobicContact CG-CG2 3.96Å; L323-V327 WeakPolarHBondContact O-CB 3.19Å; L323-V327 WeakPolarHBondContact O-CG2 3.37Å; L323-V327 PolarHBondContact O-N 3.34Å; V327-I329 VanDerWaalsContact C-N 3.27Å; V327-I329 PolarHBondContact O-N 3.08Å; V327-L330 PolarHBondContact O-N 3.42Å; V327-M331 HydrophobicContact CG1-CE 3.8Å; V327-M331 HydrophobicContact CG1-SD 4.19Å; V327-M331 WeakPolarHBondContact O-CG 3.28Å; V327-M331 PolarHBondContact O-N 2.85Å; V327-L356 HydrophobicContact CG1-CD1 4.14Å; V327-L356 HydrophobicContact CG2-CD1 4.23Å; V327-L359 HydrophobicContact CG2-CD1 4.14Å; V327-I367 HydrophobicContact CG2-CD1 4.28Å; V327-I367 HydrophobicContact CG2-CG1 4.1Å; V327-L370 HydrophobicContact CB-CB 4.46Å; V327-L370 HydrophobicContact CB-CD1 4.25Å; V327-L370 HydrophobicContact CG1-CB 3.88Å; V327-L370 HydrophobicContact CG2-CD1 4.24Å; V327-V371 HydrophobicContact CG1-CG2 3.75Å |
| 328 | P | 97.8 | Very high | 96.1 | Very high | 62 Ų | 62 | 41.6 Ų | 41.6 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60 | -34.3 | 175.4 | -25.5 | 36.1 | 0 | 0 | 0 | 114.2 | Q324 E332 | Q324-P328 WeakPolarHBondContact O-CD 3.37Å; Q324-P328 WeakPolarHBondContact O-CG 3.31Å; P328-E332 PolarHBondContact O-N 3.09Å; P328-E332 VanDerWaalsContact O-N 3.13Å |
| 329 | I | 98 | Very high | 95.2 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.046 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.1 | -45.6 | 179.8 | -59.5 | 166.7 | 0 | 0 | 0 | 109.9 | L269 M272 K273 F325 I326 V327 M331 E332 I333 | L269-I329 HydrophobicContact CD1-CD1 3.17Å; L269-I329 HydrophobicContact CD2-CD1 4.49Å; L269-I329 HydrophobicContact CG-CD1 3.71Å; M272-I329 HydrophobicContact CB-CG2 4.09Å; M272-I329 HydrophobicContact CE-CB 4.18Å; M272-I329 HydrophobicContact CE-CG2 3.95Å; K273-I329 HydrophobicContact CD-CD1 4.31Å; K273-I329 VanDerWaalsContact CE-CG1 3.43Å; K273-I329 HydrophobicContact CG-CD1 4.39Å; K273-I329 HydrophobicContact CG-CG2 4.09Å; F325-I329 WeakPolarHBondContact O-CD1 3.19Å; F325-I329 WeakPolarHBondContact O-CG1 3.44Å; I326-I329 WeakPolarHBondContact O-CA 3.49Å; I326-I329 WeakPolarHBondContact O-CB 3.49Å; I326-I329 PolarHBondContact O-N 3.05Å; V327-I329 VanDerWaalsContact C-N 3.27Å; V327-I329 PolarHBondContact O-N 3.08Å; I329-M331 VanDerWaalsContact C-N 3.31Å; I329-M331 PolarHBondContact O-N 2.98Å; I329-E332 PolarHBondContact O-N 3.14Å; I329-E332 VanDerWaalsContact O-N 3.13Å; I329-I333 HydrophobicContact CG2-CD1 3.81Å; I329-I333 HydrophobicContact CG2-CG1 4.35Å; I329-I333 WeakPolarHBondContact O-CG1 3.48Å; I329-I333 PolarHBondContact O-N 3.36Å |
| 330 | L | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 176.9 | -63.3 | 178.6 | 0 | 0 | 0 | 111.1 | M272 I284 I326 V327 E332 I333 L334 C355 L356 L359 | M272-L330 HydrophobicContact CE-CD2 3.36Å; M272-L330 HydrophobicContact CE-CG 3.92Å; I284-L330 HydrophobicContact CG1-CD2 4.22Å; I284-L330 HydrophobicContact CG2-CD2 4.25Å; I326-L330 HydrophobicContact CG2-CD1 3.76Å; I326-L330 HydrophobicContact CG2-CD2 4.49Å; I326-L330 HydrophobicContact CG2-CG 3.93Å; I326-L330 PolarHBondContact O-N 3.16Å; V327-L330 PolarHBondContact O-N 3.42Å; L330-E332 VanDerWaalsContact C-N 3.31Å; L330-E332 PolarHBondContact O-N 3.02Å; L330-I333 PolarHBondContact O-N 2.95Å; L330-L334 WeakPolarHBondContact O-CB 3.28Å; L330-L334 VanDerWaalsContact O-CG 3.31Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.29Å; L330-C355 HydrophobicContact CD1-CB 4.04Å; L330-C355 HydrophobicContact CD2-CB 4.12Å; L330-L356 HydrophobicContact CD1-CB 4.34Å; L330-L356 HydrophobicContact CD1-CD1 4.36Å; L330-L359 HydrophobicContact CD1-CD1 3.51Å |
| 331 | M | 98 | Very high | 93.3 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.044 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -30.1 | 177.8 | -66.6 | -173.6 | -57.2 | 0 | 0 | 113.3 | V327 I329 A335 V371 F374 | V327-M331 HydrophobicContact CG1-CE 3.8Å; V327-M331 HydrophobicContact CG1-SD 4.19Å; V327-M331 WeakPolarHBondContact O-CG 3.28Å; V327-M331 PolarHBondContact O-N 2.85Å; I329-M331 VanDerWaalsContact C-N 3.31Å; I329-M331 PolarHBondContact O-N 2.98Å; M331-A335 PolarHBondContact O-N 2.89Å; M331-V371 HydrophobicContact SD-CB 4.34Å; M331-V371 HydrophobicContact SD-CG1 4.36Å; M331-V371 HydrophobicContact SD-CG2 4.05Å; M331-F374 HydrophobicContact CB-CD1 4.13Å; M331-F374 HydrophobicContact CB-CD2 3.96Å; M331-F374 HydrophobicContact CB-CE1 4.01Å; M331-F374 HydrophobicContact CB-CE2 3.83Å; M331-F374 HydrophobicContact CB-CG 4.12Å; M331-F374 HydrophobicContact CB-CZ 3.86Å; M331-F374 HydrophobicContact CE-CB 3.64Å; M331-F374 HydrophobicContact CE-CD2 4.14Å; M331-F374 HydrophobicContact CE-CG 3.91Å; M331-F374 HydrophobicContact CG-CD1 4.18Å; M331-F374 HydrophobicContact CG-CE1 4.39Å; M331-F374 HydrophobicContact CG-CG 4.32Å; M331-F374 WeakPolarHBondContact O-CZ 3.4Å; M331-F374 HydrophobicContact SD-CB 3.46Å; M331-F374 WeakPolarHBondContact SD-CB 3.46Å; M331-F374 HydrophobicContact SD-CD1 3.61Å; M331-F374 HydrophobicContact SD-CD2 4.15Å; M331-F374 HydrophobicContact SD-CE1 4.39Å; M331-F374 HydrophobicContact SD-CG 3.48Å; M331-F374 WeakPolarHBondContact SD-CG 3.15Å |
| 332 | E | 96.8 | Very high | 92.3 | Very high | 118 Ų | 118 | 50.3 Ų | 50.3 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.3 | -42.6 | 173 | -175.2 | 175.5 | -174.4 | 0 | 0 | 111.7 | P328 I329 L330 L334 A335 | P328-E332 PolarHBondContact O-N 3.09Å; P328-E332 VanDerWaalsContact O-N 3.13Å; I329-E332 PolarHBondContact O-N 3.14Å; I329-E332 VanDerWaalsContact O-N 3.13Å; L330-E332 VanDerWaalsContact C-N 3.31Å; L330-E332 PolarHBondContact O-N 3.02Å; E332-L334 VanDerWaalsContact C-N 3.33Å; E332-A335 PolarHBondContact O-N 2.94Å; E332-A335 VanDerWaalsContact O-N 3.16Å |
| 333 | I | 97.1 | Very high | 91.1 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 175.5 | -63.8 | 168.6 | 0 | 0 | 0 | 110.5 | M272 I284 I329 L330 A335 Q336 P348 S352 | M272-I333 WeakPolarHBondContact O-CD1 3.46Å; I284-I333 HydrophobicContact CD1-CD1 4.12Å; I329-I333 HydrophobicContact CG2-CD1 3.81Å; I329-I333 HydrophobicContact CG2-CG1 4.35Å; I329-I333 WeakPolarHBondContact O-CG1 3.48Å; I329-I333 PolarHBondContact O-N 3.36Å; L330-I333 PolarHBondContact O-N 2.95Å; I333-A335 PolarHBondContact O-N 3.41Å; I333-A335 VanDerWaalsContact O-N 3.12Å; I333-Q336 WeakPolarHBondContact O-CB 3.1Å; I333-Q336 PolarHBondContact O-N 2.94Å; I333-P348 HydrophobicContact CG2-CB 3.68Å; I333-P348 WeakPolarHBondContact CG2-O 3.29Å; I333-S352 WeakPolarHBondContact CB-OG 3.48Å; I333-S352 VanDerWaalsContact CG2-OG 3.26Å; I333-S352 WeakPolarHBondContact CG2-OG 3.42Å |
| 334 | L | 96.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -22.7 | 174.1 | -81 | 176 | 0 | 0 | 0 | 112.8 | L330 E332 Q336 Q337 S349 L356 A389 M392 | L330-L334 WeakPolarHBondContact O-CB 3.28Å; L330-L334 VanDerWaalsContact O-CG 3.31Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.29Å; E332-L334 VanDerWaalsContact C-N 3.33Å; L334-Q336 VanDerWaalsContact C-N 3.33Å; L334-Q337 PolarHBondContact O-NE2 3.38Å; L334-Q337 PolarHBondContact O-OE1 3.26Å; L334-S349 VanDerWaalsContact CD2-O 3.3Å; L334-S349 WeakPolarHBondContact CD2-O 3.23Å; L334-L356 HydrophobicContact CD1-CD2 4.12Å; L334-A389 HydrophobicContact CB-CB 3.97Å; L334-A389 WeakPolarHBondContact O-CB 3.43Å; L334-M392 HydrophobicContact CD1-CG 4.24Å; L334-M392 HydrophobicContact CD2-CG 3.87Å |
| 335 | A | 96 | Very high | 89.8 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 12.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M331 E332 I333 Y386 A389 | M331-A335 PolarHBondContact O-N 2.89Å; E332-A335 PolarHBondContact O-N 2.94Å; E332-A335 VanDerWaalsContact O-N 3.16Å; I333-A335 PolarHBondContact O-N 3.41Å; I333-A335 VanDerWaalsContact O-N 3.12Å; A335-Y386 HydrophobicContact CB-CD1 3.94Å; A335-Y386 HydrophobicContact CB-CE1 3.87Å; A335-Y386 HydrophobicContact CB-CG 4.42Å; A335-A389 HydrophobicContact CB-CB 4.02Å |
| 336 | Q | 92.7 | Very high | 89.6 | Confident | 128 Ų | 128 | 61.2 Ų | 61.2 | 60% | 0.598 | 31% | 0.313 | S | S | * | . | trans | -111.4 | 27.3 | -177.9 | -59 | 178.4 | 13.8 | 0 | 0 | 112.9 | I333 L334 | I333-Q336 WeakPolarHBondContact O-CB 3.1Å; I333-Q336 PolarHBondContact O-N 2.94Å; L334-Q336 VanDerWaalsContact C-N 3.33Å | ||
| 337 | Q | 88.6 | Confident | 89.4 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | trans | -61.6 | 145.4 | -179.7 | -49.7 | 92 | -36.4 | 0 | 0 | 112 | L334 W384 R385 D388 | L334-Q337 PolarHBondContact O-NE2 3.38Å; L334-Q337 PolarHBondContact O-OE1 3.26Å; Q337-W384 HydrophobicContact CB-CH2 3.76Å; Q337-W384 HydrophobicContact CB-CZ3 4.11Å; Q337-W384 HydrophobicContact CG-CZ3 4.47Å; Q337-R385 PolarHBondContact NE2-O 3.46Å; Q337-R385 PolarHBondContact O-NE 3.17Å; Q337-R385 PolarHBondContact O-NH2 3.28Å; Q337-R385 VanDerWaalsContact O-NH2 3.09Å; Q337-D388 PolarHBondContact NE2-OD2 2.84Å | ||
| 338 | D | 83.2 | Confident | 89.3 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | trans | -120.3 | 117.9 | 174.4 | -172.3 | -16.1 | 0 | 0 | 0 | 110 | S340 M341 | D338-S340 PolarHBondContact O-N 2.82Å; D338-S340 WeakPolarHBondContact OD1-CB 3.48Å; D338-S340 PolarHBondContact OD1-N 3.09Å; D338-S340 PolarHBondContact OD1-OG 3.45Å; D338-S340 PolarHBondContact OD2-OG 3.33Å; D338-M341 HydrophobicContact CB-CG 3.87Å; D338-M341 HydrophobicContact CB-SD 4.07Å; D338-M341 PolarHBondContact O-N 3.1Å | ||
| 339 | E | 78 | Confident | 89.1 | Confident | 124 Ų | 124 | 61.2 Ų | 61.2 | 58% | 0.579 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.6 | 178.6 | -79.3 | 173.1 | -168.4 | 0 | 0 | 113.4 | W384 | E339-W384 HydrophobicContact CG-CH2 3.93Å; E339-W384 HydrophobicContact CG-CZ2 3.57Å; E339-W384 VanDerWaalsContact OE1-CZ2 3.23Å; E339-W384 WeakPolarHBondContact OE1-CZ2 3.38Å; E339-W384 PolarHBondContact OE1-NE1 3.3Å; E339-W384 VanDerWaalsContact OE1-NE1 3.13Å |
| 340 | S | 80.1 | Confident | 88.9 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 69% | 0.692 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -11.1 | -179.6 | 70 | 0 | 0 | 0 | 0 | 114.3 | D338 | D338-S340 PolarHBondContact O-N 2.82Å; D338-S340 WeakPolarHBondContact OD1-CB 3.48Å; D338-S340 PolarHBondContact OD1-N 3.09Å; D338-S340 PolarHBondContact OD1-OG 3.45Å; D338-S340 PolarHBondContact OD2-OG 3.33Å |
| 341 | M | 74.1 | Confident | 88.9 | Confident | 56 Ų | 56 | 64 Ų | 64 | 28% | 0.276 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -74.6 | 147 | 178 | -68.4 | -173.8 | 79.5 | 0 | 0 | 111.1 | D338 E345 N347 | D338-M341 HydrophobicContact CB-CG 3.87Å; D338-M341 HydrophobicContact CB-SD 4.07Å; D338-M341 PolarHBondContact O-N 3.1Å; M341-E345 HydrophobicContact CE-CG 4.05Å; M341-E345 VanDerWaalsContact CE-OE2 3.25Å; M341-E345 WeakPolarHBondContact CE-OE2 3.29Å; M341-N347 HydrophobicContact CE-CB 3.6Å; M341-N347 HydrophobicContact SD-CB 4.27Å |
| 342 | D | 75.9 | Confident | 88.8 | Confident | 102 Ų | 102 | 63.6 Ų | 63.6 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | trans | -68.6 | 141.8 | 175.9 | -159.3 | -18.8 | 0 | 0 | 0 | 110.4 | D344 E345 K350 | D342-D344 PolarHBondContact O-N 3.14Å; D342-D344 PolarHBondContact OD1-N 2.92Å; D342-E345 HydrophobicContact CB-CB 4.37Å; D342-E345 PolarHBondContact O-N 3.43Å; D342-E345 VanDerWaalsContact O-N 3.08Å; D342-K350 PolarHBondContact O-NZ 3.09Å | ||
| 343 | D | 73.3 | Confident | 88.8 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.9 | 178.7 | -80.7 | -8.5 | 0 | 0 | 0 | 111.4 | K350 H527 | D343-K350 PolarHBondContact O-NZ 3.36Å; D343-H527 IonicContact OD2-CE1 2.58Å; D343-H527 PolarHBondContact OD2-CE1 3.25Å; D343-H527 IonicContact OD2-ND1 2.77Å; D343-H527 PolarHBondContact OD2-ND1 3.41Å; D343-H527 VanDerWaalsContact OD2-ND1 3.15Å; D343-H527 IonicContact OD2-NE2 3.66Å |
| 344 | D | 79.7 | Confident | 88.9 | Confident | 152 Ų | 152 | 60.8 Ų | 60.8 | 81% | 0.813 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -12 | 174.8 | -67.6 | -22.7 | 0 | 0 | 0 | 113.8 | D342 | D342-D344 PolarHBondContact O-N 3.14Å; D342-D344 PolarHBondContact OD1-N 2.92Å |
| 345 | E | 87.8 | Confident | 89 | Confident | 99 Ų | 99 | 60.6 Ų | 60.6 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | trans | -80.3 | 124.9 | -176.9 | -169.9 | 177.4 | 179.1 | 0 | 0 | 112.2 | M341 D342 N347 K350 | M341-E345 HydrophobicContact CE-CG 4.05Å; M341-E345 VanDerWaalsContact CE-OE2 3.25Å; M341-E345 WeakPolarHBondContact CE-OE2 3.29Å; D342-E345 HydrophobicContact CB-CB 4.37Å; D342-E345 PolarHBondContact O-N 3.43Å; D342-E345 VanDerWaalsContact O-N 3.08Å; E345-N347 PolarHBondContact O-N 3.42Å; E345-K350 WeakPolarHBondContact O-CD 3.45Å; E345-K350 PolarHBondContact O-NZ 3.17Å | ||
| 346 | W | 92.8 | Very high | 89.1 | Confident | 132 Ų | 132 | 60.1 Ų | 60.1 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | trans | -79.1 | 115.7 | 174.7 | -173.2 | -113.6 | 0 | 0 | 0 | 111.1 | K350 A351 V354 | W346-K350 HydrophobicContact CE3-CB 3.88Å; W346-K350 HydrophobicContact CH2-CB 4.41Å; W346-K350 HydrophobicContact CZ3-CB 3.74Å; W346-A351 HydrophobicContact CH2-CB 4.35Å; W346-A351 VanDerWaalsContact CZ2-CA 3.4Å; W346-A351 HydrophobicContact CZ2-CB 3.59Å; W346-V354 HydrophobicContact CH2-CB 4.19Å; W346-V354 HydrophobicContact CH2-CG2 3.75Å; W346-V354 HydrophobicContact CZ3-CG2 4.4Å | ||
| 347 | N | 93.7 | Very high | 89.3 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | trans | -131.5 | 166.9 | -172.5 | 69.7 | 39.1 | 0 | 0 | 0 | 112.1 | M341 E345 S349 K350 A351 | M341-N347 HydrophobicContact CE-CB 3.6Å; M341-N347 HydrophobicContact SD-CB 4.27Å; E345-N347 PolarHBondContact O-N 3.42Å; N347-S349 PolarHBondContact O-N 2.84Å; N347-S349 VanDerWaalsContact O-N 3.15Å; N347-S349 WeakPolarHBondContact OD1-CB 3.3Å; N347-S349 PolarHBondContact OD1-N 2.98Å; N347-S349 VanDerWaalsContact OD1-N 3.1Å; N347-K350 PolarHBondContact O-N 3.11Å; N347-K350 PolarHBondContact OD1-N 3.17Å; N347-A351 PolarHBondContact O-N 2.92Å | ||
| 348 | P | 96 | Very high | 89.8 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56 | -31.1 | -177.6 | -28.6 | 35.8 | 0 | 0 | 0 | 115 | P277 A280 L281 I284 I333 S352 | P277-P348 HydrophobicContact CB-CG 3.97Å; A280-P348 HydrophobicContact CB-CG 4.32Å; L281-P348 HydrophobicContact CD2-CG 4.44Å; L281-P348 HydrophobicContact CG-CG 4.23Å; I284-P348 HydrophobicContact CD1-CB 4.2Å; I333-P348 HydrophobicContact CG2-CB 3.68Å; I333-P348 WeakPolarHBondContact CG2-O 3.29Å; P348-S352 VanDerWaalsContact O-CB 3.27Å; P348-S352 WeakPolarHBondContact O-CB 3.38Å; P348-S352 PolarHBondContact O-N 3.14Å; P348-S352 PolarHBondContact O-OG 3.14Å |
| 349 | S | 94.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -49.3 | 177.5 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | L334 N347 A351 S352 G353 | L334-S349 VanDerWaalsContact CD2-O 3.3Å; L334-S349 WeakPolarHBondContact CD2-O 3.23Å; N347-S349 PolarHBondContact O-N 2.84Å; N347-S349 VanDerWaalsContact O-N 3.15Å; N347-S349 WeakPolarHBondContact OD1-CB 3.3Å; N347-S349 PolarHBondContact OD1-N 2.98Å; N347-S349 VanDerWaalsContact OD1-N 3.1Å; S349-A351 PolarHBondContact O-N 3.15Å; S349-S352 PolarHBondContact O-N 2.93Å; S349-G353 PolarHBondContact O-N 3.23Å |
| 350 | K | 94 | Very high | 91.5 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.6 | -66.9 | 178.7 | -173.3 | 165.8 | 0 | 111.1 | D342 D343 E345 W346 N347 S352 G353 V354 | D342-K350 PolarHBondContact O-NZ 3.09Å; D343-K350 PolarHBondContact O-NZ 3.36Å; E345-K350 WeakPolarHBondContact O-CD 3.45Å; E345-K350 PolarHBondContact O-NZ 3.17Å; W346-K350 HydrophobicContact CE3-CB 3.88Å; W346-K350 HydrophobicContact CH2-CB 4.41Å; W346-K350 HydrophobicContact CZ3-CB 3.74Å; N347-K350 PolarHBondContact O-N 3.11Å; N347-K350 PolarHBondContact OD1-N 3.17Å; K350-S352 VanDerWaalsContact C-N 3.29Å; K350-S352 PolarHBondContact O-N 3.37Å; K350-G353 PolarHBondContact O-N 3.49Å; K350-V354 PolarHBondContact O-N 3.39Å; K350-V354 VanDerWaalsContact O-N 3.16Å |
| 351 | A | 97 | Very high | 92.3 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L281 I284 W346 N347 S349 V354 C355 | L281-A351 HydrophobicContact CD2-CB 3.65Å; I284-A351 HydrophobicContact CB-CB 4.43Å; I284-A351 HydrophobicContact CD1-CB 4.14Å; I284-A351 HydrophobicContact CG2-CB 3.91Å; I284-A351 WeakPolarHBondContact CG2-O 3.33Å; W346-A351 HydrophobicContact CH2-CB 4.35Å; W346-A351 VanDerWaalsContact CZ2-CA 3.4Å; W346-A351 HydrophobicContact CZ2-CB 3.59Å; N347-A351 PolarHBondContact O-N 2.92Å; S349-A351 PolarHBondContact O-N 3.15Å; A351-V354 PolarHBondContact O-N 3.19Å; A351-C355 VanDerWaalsContact O-CB 3.31Å; A351-C355 WeakPolarHBondContact O-CB 3.49Å; A351-C355 PolarHBondContact O-N 3.36Å |
| 352 | S | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.9 | -36.3 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | I284 I333 P348 S349 K350 L356 | I284-S352 WeakPolarHBondContact CD1-OG 3.49Å; I333-S352 WeakPolarHBondContact CB-OG 3.48Å; I333-S352 VanDerWaalsContact CG2-OG 3.26Å; I333-S352 WeakPolarHBondContact CG2-OG 3.42Å; P348-S352 VanDerWaalsContact O-CB 3.27Å; P348-S352 WeakPolarHBondContact O-CB 3.38Å; P348-S352 PolarHBondContact O-N 3.14Å; P348-S352 PolarHBondContact O-OG 3.14Å; S349-S352 PolarHBondContact O-N 2.93Å; K350-S352 VanDerWaalsContact C-N 3.29Å; K350-S352 PolarHBondContact O-N 3.37Å; S352-L356 VanDerWaalsContact O-CB 3.31Å; S352-L356 WeakPolarHBondContact O-CB 3.44Å; S352-L356 PolarHBondContact O-N 3.1Å |
| 353 | G | 96.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 39 Ų | 39 | 6% | 0.062 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S349 K350 L356 M357 | S349-G353 PolarHBondContact O-N 3.23Å; K350-G353 PolarHBondContact O-N 3.49Å; G353-L356 PolarHBondContact O-N 3.42Å; G353-M357 WeakPolarHBondContact O-CG 3.35Å; G353-M357 PolarHBondContact O-N 3.32Å; G353-M357 VanDerWaalsContact O-N 3.1Å |
| 354 | V | 97.7 | Very high | 95.6 | Very high | 63 Ų | 63 | 41 Ų | 41 | 38% | 0.382 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | W346 K350 A351 L356 M357 L358 | W346-V354 HydrophobicContact CH2-CB 4.19Å; W346-V354 HydrophobicContact CH2-CG2 3.75Å; W346-V354 HydrophobicContact CZ3-CG2 4.4Å; K350-V354 PolarHBondContact O-N 3.39Å; K350-V354 VanDerWaalsContact O-N 3.16Å; A351-V354 PolarHBondContact O-N 3.19Å; V354-L356 VanDerWaalsContact C-N 3.25Å; V354-L356 PolarHBondContact O-N 2.6Å; V354-M357 WeakPolarHBondContact O-CB 3.49Å; V354-M357 PolarHBondContact O-N 3.04Å; V354-M357 VanDerWaalsContact O-N 3.08Å; V354-L358 HydrophobicContact CG1-CD1 4.15Å; V354-L358 HydrophobicContact CG1-CG 4.43Å; V354-L358 WeakPolarHBondContact O-CG 3.44Å; V354-L358 PolarHBondContact O-N 2.84Å |
| 355 | C | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.4 | -38 | 177 | -170 | 0 | 0 | 0 | 0 | 111.9 | I284 S288 L330 A351 L358 L359 | I284-C355 HydrophobicContact CG2-CB 3.55Å; S288-C355 WeakPolarHBondContact OG-CB 3.37Å; S288-C355 PolarHBondContact OG-SG 2.69Å; L330-C355 HydrophobicContact CD1-CB 4.04Å; L330-C355 HydrophobicContact CD2-CB 4.12Å; A351-C355 VanDerWaalsContact O-CB 3.31Å; A351-C355 WeakPolarHBondContact O-CB 3.49Å; A351-C355 PolarHBondContact O-N 3.36Å; C355-L358 PolarHBondContact O-N 3.42Å; C355-L359 WeakPolarHBondContact O-CB 3.39Å; C355-L359 VanDerWaalsContact O-CG 3.28Å; C355-L359 WeakPolarHBondContact O-CG 3.1Å; C355-L359 PolarHBondContact O-N 3.16Å |
| 356 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | 176.2 | -168.9 | 67.8 | 0 | 0 | 0 | 112.3 | V327 L330 L334 S352 G353 V354 A360 I367 V371 | V327-L356 HydrophobicContact CG1-CD1 4.14Å; V327-L356 HydrophobicContact CG2-CD1 4.23Å; L330-L356 HydrophobicContact CD1-CB 4.34Å; L330-L356 HydrophobicContact CD1-CD1 4.36Å; L334-L356 HydrophobicContact CD1-CD2 4.12Å; S352-L356 VanDerWaalsContact O-CB 3.31Å; S352-L356 WeakPolarHBondContact O-CB 3.44Å; S352-L356 PolarHBondContact O-N 3.1Å; G353-L356 PolarHBondContact O-N 3.42Å; V354-L356 VanDerWaalsContact C-N 3.25Å; V354-L356 PolarHBondContact O-N 2.6Å; L356-A360 PolarHBondContact O-N 3.07Å; L356-I367 HydrophobicContact CD1-CD1 3.94Å; L356-V371 HydrophobicContact CD1-CG2 4.15Å |
| 357 | M | 98.3 | Very high | 97 | Very high | 44 Ų | 44 | 28.1 Ų | 28.1 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -46.6 | 172.9 | -70.3 | 172.9 | 63.4 | 0 | 0 | 111.9 | G353 V354 L359 A360 Q361 S396 W434 | G353-M357 WeakPolarHBondContact O-CG 3.35Å; G353-M357 PolarHBondContact O-N 3.32Å; G353-M357 VanDerWaalsContact O-N 3.1Å; V354-M357 WeakPolarHBondContact O-CB 3.49Å; V354-M357 PolarHBondContact O-N 3.04Å; V354-M357 VanDerWaalsContact O-N 3.08Å; M357-L359 VanDerWaalsContact C-N 3.33Å; M357-L359 PolarHBondContact O-N 2.97Å; M357-A360 WeakPolarHBondContact O-CB 3.24Å; M357-A360 PolarHBondContact O-N 2.88Å; M357-Q361 PolarHBondContact O-N 3.42Å; M357-S396 WeakPolarHBondContact CA-O 3.38Å; M357-W434 HydrophobicContact CE-CZ2 4.2Å; M357-W434 HydrophobicContact SD-CH2 4Å; M357-W434 HydrophobicContact SD-CZ2 3.93Å |
| 358 | L | 98.3 | Very high | 97.2 | Very high | 25 Ų | 25 | 28.1 Ų | 28.1 | 13% | 0.131 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 177.1 | -68.2 | 174 | 0 | 0 | 0 | 111.7 | C291 D292 V354 C355 A360 Q361 C362 | C291-L358 HydrophobicContact CB-CB 3.71Å; D292-L358 WeakPolarHBondContact OD1-CD2 3.39Å; V354-L358 HydrophobicContact CG1-CD1 4.15Å; V354-L358 HydrophobicContact CG1-CG 4.43Å; V354-L358 WeakPolarHBondContact O-CG 3.44Å; V354-L358 PolarHBondContact O-N 2.84Å; C355-L358 PolarHBondContact O-N 3.42Å; L358-A360 VanDerWaalsContact C-N 3.28Å; L358-A360 PolarHBondContact O-N 2.83Å; L358-Q361 PolarHBondContact O-N 3.31Å; L358-C362 WeakPolarHBondContact O-CB 3.4Å; L358-C362 PolarHBondContact O-N 3.43Å |
| 359 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -35 | 173.1 | -74.8 | 166.4 | 0 | 0 | 0 | 112.1 | C291 A319 L323 I326 V327 L330 C355 M357 C363 I367 | C291-L359 WeakPolarHBondContact SG-CD2 3.46Å; A319-L359 HydrophobicContact CB-CD2 4.12Å; L323-L359 HydrophobicContact CD1-CB 4.08Å; L323-L359 HydrophobicContact CD1-CD1 4.36Å; L323-L359 HydrophobicContact CD1-CD2 3.81Å; L323-L359 HydrophobicContact CD1-CG 4.32Å; I326-L359 HydrophobicContact CG2-CD1 3.91Å; V327-L359 HydrophobicContact CG2-CD1 4.14Å; L330-L359 HydrophobicContact CD1-CD1 3.51Å; C355-L359 WeakPolarHBondContact O-CB 3.39Å; C355-L359 VanDerWaalsContact O-CG 3.28Å; C355-L359 WeakPolarHBondContact O-CG 3.1Å; C355-L359 PolarHBondContact O-N 3.16Å; M357-L359 VanDerWaalsContact C-N 3.33Å; M357-L359 PolarHBondContact O-N 2.97Å; L359-C363 WeakPolarHBondContact O-CB 3.43Å; L359-C363 PolarHBondContact O-N 2.97Å; L359-I367 HydrophobicContact CB-CD1 3.67Å |
| 360 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.3 | -44.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L356 M357 L358 E364 I367 I397 E399 G400 | L356-A360 PolarHBondContact O-N 3.07Å; M357-A360 WeakPolarHBondContact O-CB 3.24Å; M357-A360 PolarHBondContact O-N 2.88Å; L358-A360 VanDerWaalsContact C-N 3.28Å; L358-A360 PolarHBondContact O-N 2.83Å; A360-E364 VanDerWaalsContact O-CA 3.24Å; A360-E364 WeakPolarHBondContact O-CA 3.48Å; A360-E364 PolarHBondContact O-N 3.31Å; A360-I367 HydrophobicContact CB-CD1 4.06Å; A360-I367 HydrophobicContact CB-CG2 4.12Å; A360-I397 HydrophobicContact CB-CB 4.26Å; A360-I397 HydrophobicContact CB-CG2 4.15Å; A360-E399 WeakPolarHBondContact CB-O 3.43Å; A360-G400 WeakPolarHBondContact O-CA 3.37Å |
| 361 | Q | 97.2 | Very high | 97.5 | Very high | 67 Ų | 67 | 31.7 Ų | 31.7 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66 | -40.7 | 175.2 | -65.8 | -179.7 | 17.5 | 0 | 0 | 112.4 | I295 M357 L358 E399 | I295-Q361 HydrophobicContact CD1-CB 3.98Å; M357-Q361 PolarHBondContact O-N 3.42Å; L358-Q361 PolarHBondContact O-N 3.31Å; Q361-E399 HydrophobicContact CG-CG 4.19Å; Q361-E399 PolarHBondContact NE2-OE2 3.38Å |
| 362 | C | 97.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 32.4 Ų | 32.4 | 19% | 0.189 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.7 | -43 | -178 | -177.8 | 0 | 0 | 0 | 0 | 113 | C291 I295 L358 | C291-C362 HydrophobicContact CB-CB 4Å; I295-C362 HydrophobicContact CD1-CB 4.01Å; I295-C362 HydrophobicContact CG1-CB 3.8Å; L358-C362 WeakPolarHBondContact O-CB 3.4Å; L358-C362 PolarHBondContact O-N 3.43Å |
| 363 | C | 97.2 | Very high | 97.5 | Very high | 7 Ų | 7 | 36 Ų | 36 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -97.8 | -22.1 | -173.1 | -64.4 | 0 | 0 | 0 | 0 | 113.9 | K320 L323 L359 P366 | K320-C363 PolarHBondContact N-SG 2.93Å; L323-C363 HydrophobicContact CD1-CB 4.26Å; L323-C363 HydrophobicContact CD2-CB 3.98Å; L359-C363 WeakPolarHBondContact O-CB 3.43Å; L359-C363 PolarHBondContact O-N 2.97Å; C363-P366 WeakPolarHBondContact O-CD 3.46Å |
| 364 | E | 97.1 | Very high | 97.5 | Very high | 108 Ų | 108 | 37.1 Ų | 37.1 | 51% | 0.505 | 20% | 0.202 | S | C | . | . | trans | 61.2 | -138.1 | -177.3 | -51.9 | 172.5 | -170.5 | 0 | 0 | 112.8 | A360 P366 I367 | A360-E364 VanDerWaalsContact O-CA 3.24Å; A360-E364 WeakPolarHBondContact O-CA 3.48Å; A360-E364 PolarHBondContact O-N 3.31Å; E364-P366 VanDerWaalsContact O-CD 3.29Å; E364-P366 WeakPolarHBondContact O-CD 3.47Å; E364-P366 VanDerWaalsContact O-N 3.1Å; E364-I367 VanDerWaalsContact O-CG2 3.29Å; E364-I367 WeakPolarHBondContact O-CG2 3.39Å; E364-I367 PolarHBondContact O-N 2.86Å | ||
| 365 | D | 96.8 | Very high | 97.5 | Very high | 66 Ų | 66 | 34.8 Ų | 34.8 | 35% | 0.353 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -45.3 | -38.7 | -173.8 | -65 | -27.1 | 0 | 0 | 0 | 118 | I367 V368 D402 | D365-I367 PolarHBondContact O-N 3.5Å; D365-I367 VanDerWaalsContact O-N 3.13Å; D365-V368 WeakPolarHBondContact O-CB 3.18Å; D365-V368 WeakPolarHBondContact O-CG2 3.49Å; D365-V368 PolarHBondContact O-N 3.37Å; D365-V368 VanDerWaalsContact O-N 3.11Å; D365-D402 PolarHBondContact OD1-N 2.88Å |
| 366 | P | 96.6 | Very high | 97.4 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -51.8 | -32.8 | 178.1 | -27.7 | 37 | 0 | 0 | 0 | 114.7 | L323 C363 E364 V368 | L323-P366 HydrophobicContact CD2-CB 3.84Å; C363-P366 WeakPolarHBondContact O-CD 3.46Å; E364-P366 VanDerWaalsContact O-CD 3.29Å; E364-P366 WeakPolarHBondContact O-CD 3.47Å; E364-P366 VanDerWaalsContact O-N 3.1Å; P366-V368 VanDerWaalsContact C-N 3.28Å; P366-V368 PolarHBondContact O-N 2.94Å |
| 367 | I | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -67.2 | -31.9 | -178.3 | -157.6 | 168.7 | 0 | 0 | 0 | 112.2 | L323 V327 L356 L359 A360 E364 D365 N369 L370 V371 I397 P401 | L323-I367 HydrophobicContact CD1-CD1 4.23Å; L323-I367 HydrophobicContact CD1-CG1 4.17Å; L323-I367 HydrophobicContact CD2-CB 4.31Å; V327-I367 HydrophobicContact CG2-CD1 4.28Å; V327-I367 HydrophobicContact CG2-CG1 4.1Å; L356-I367 HydrophobicContact CD1-CD1 3.94Å; L359-I367 HydrophobicContact CB-CD1 3.67Å; A360-I367 HydrophobicContact CB-CD1 4.06Å; A360-I367 HydrophobicContact CB-CG2 4.12Å; E364-I367 VanDerWaalsContact O-CG2 3.29Å; E364-I367 WeakPolarHBondContact O-CG2 3.39Å; E364-I367 PolarHBondContact O-N 2.86Å; D365-I367 PolarHBondContact O-N 3.5Å; D365-I367 VanDerWaalsContact O-N 3.13Å; I367-N369 VanDerWaalsContact C-N 3.27Å; I367-N369 PolarHBondContact O-N 3.32Å; I367-L370 WeakPolarHBondContact O-CB 3.22Å; I367-L370 PolarHBondContact O-N 3.11Å; I367-V371 HydrophobicContact CG1-CG2 4.04Å; I367-V371 PolarHBondContact O-N 2.86Å; I367-V371 VanDerWaalsContact O-N 3.08Å; I367-I397 HydrophobicContact CD1-CG2 4.11Å; I367-I397 HydrophobicContact CG1-CG2 4.29Å; I367-I397 HydrophobicContact CG2-CB 4.25Å; I367-I397 HydrophobicContact CG2-CG2 3.96Å; I367-P401 HydrophobicContact CG2-CG 4.15Å |
| 368 | V | 97.2 | Very high | 97.3 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -40.6 | -175.4 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | D365 P366 L370 V371 I372 I397 P401 L406 L409 | D365-V368 WeakPolarHBondContact O-CB 3.18Å; D365-V368 WeakPolarHBondContact O-CG2 3.49Å; D365-V368 PolarHBondContact O-N 3.37Å; D365-V368 VanDerWaalsContact O-N 3.11Å; P366-V368 VanDerWaalsContact C-N 3.28Å; P366-V368 PolarHBondContact O-N 2.94Å; V368-L370 PolarHBondContact O-N 3.12Å; V368-V371 PolarHBondContact O-N 3.01Å; V368-I372 HydrophobicContact CG1-CG1 3.7Å; V368-I372 WeakPolarHBondContact O-CB 3.34Å; V368-I372 WeakPolarHBondContact O-CG1 3.36Å; V368-I372 PolarHBondContact O-N 3.44Å; V368-I372 VanDerWaalsContact O-N 3.08Å; V368-I397 HydrophobicContact CG2-CD1 4.47Å; V368-P401 HydrophobicContact CG2-CB 3.84Å; V368-P401 HydrophobicContact CG2-CG 3.72Å; V368-L406 HydrophobicContact CG2-CD2 3.94Å; V368-L409 HydrophobicContact CG1-CD1 3.42Å; V368-L409 VanDerWaalsContact CG1-CD1 3.42Å |
| 369 | N | 95.9 | Very high | 97.2 | Very high | 128 Ų | 128 | 46.3 Ų | 46.3 | 68% | 0.684 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -68 | -20.3 | -179.9 | -69.5 | -51.1 | 0 | 0 | 0 | 113.8 | I367 P373 | I367-N369 VanDerWaalsContact C-N 3.27Å; I367-N369 PolarHBondContact O-N 3.32Å; N369-P373 WeakPolarHBondContact O-CD 3.22Å; N369-P373 WeakPolarHBondContact O-CG 3.4Å |
| 370 | L | 97.5 | Very high | 97.1 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 29% | 0.293 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -91.4 | -39.6 | 179.3 | -60.3 | 172.6 | 0 | 0 | 0 | 111.5 | L323 V327 I367 V368 | L323-L370 HydrophobicContact CB-CD1 4.38Å; L323-L370 HydrophobicContact CD2-CD1 3.91Å; L323-L370 HydrophobicContact CG-CD1 3.65Å; V327-L370 HydrophobicContact CB-CB 4.46Å; V327-L370 HydrophobicContact CB-CD1 4.25Å; V327-L370 HydrophobicContact CG1-CB 3.88Å; V327-L370 HydrophobicContact CG2-CD1 4.24Å; I367-L370 WeakPolarHBondContact O-CB 3.22Å; I367-L370 PolarHBondContact O-N 3.11Å; V368-L370 PolarHBondContact O-N 3.12Å |
| 371 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -81.6 | -44.3 | -174.4 | 171.4 | 0 | 0 | 0 | 0 | 112.5 | V327 M331 L356 I367 V368 P373 F374 V375 S393 I397 | V327-V371 HydrophobicContact CG1-CG2 3.75Å; M331-V371 HydrophobicContact SD-CB 4.34Å; M331-V371 HydrophobicContact SD-CG1 4.36Å; M331-V371 HydrophobicContact SD-CG2 4.05Å; L356-V371 HydrophobicContact CD1-CG2 4.15Å; I367-V371 HydrophobicContact CG1-CG2 4.04Å; I367-V371 PolarHBondContact O-N 2.86Å; I367-V371 VanDerWaalsContact O-N 3.08Å; V368-V371 PolarHBondContact O-N 3.01Å; V371-P373 VanDerWaalsContact C-CD 3.49Å; V371-F374 WeakPolarHBondContact O-CB 3.31Å; V371-F374 PolarHBondContact O-N 2.82Å; V371-V375 HydrophobicContact CG1-CG2 3.83Å; V371-V375 WeakPolarHBondContact O-CG2 3.28Å; V371-V375 PolarHBondContact O-N 2.85Å; V371-S393 WeakPolarHBondContact CG1-O 3.37Å; V371-I397 HydrophobicContact CB-CD1 4.03Å; V371-I397 HydrophobicContact CB-CG2 4.29Å; V371-I397 HydrophobicContact CG1-CD1 3.84Å; V371-I397 HydrophobicContact CG1-CG1 4.33Å; V371-I397 HydrophobicContact CG1-CG2 4.21Å; V371-I397 HydrophobicContact CG2-CG2 3.93Å |
| 372 | I | 97.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.4 | -38.8 | -174.8 | -65.2 | -64.2 | 0 | 0 | 0 | 113.9 | V368 F374 V375 K376 F394 I397 L409 | V368-I372 HydrophobicContact CG1-CG1 3.7Å; V368-I372 WeakPolarHBondContact O-CB 3.34Å; V368-I372 WeakPolarHBondContact O-CG1 3.36Å; V368-I372 PolarHBondContact O-N 3.44Å; V368-I372 VanDerWaalsContact O-N 3.08Å; I372-F374 VanDerWaalsContact C-N 3.35Å; I372-F374 PolarHBondContact O-N 3.12Å; I372-V375 PolarHBondContact O-N 3.4Å; I372-K376 HydrophobicContact CG2-CD 4.09Å; I372-K376 HydrophobicContact CG2-CG 4.39Å; I372-K376 WeakPolarHBondContact O-CG 3.43Å; I372-K376 PolarHBondContact O-N 3.27Å; I372-F394 HydrophobicContact CD1-CD2 4.04Å; I372-F394 HydrophobicContact CD1-CE2 4.08Å; I372-I397 HydrophobicContact CD1-CD1 4.14Å; I372-I397 HydrophobicContact CG1-CD1 4.46Å; I372-L409 HydrophobicContact CD1-CD1 4.1Å; I372-L409 HydrophobicContact CG1-CD1 4.07Å |
| 373 | P | 97.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 172.5 | -26.4 | 36.1 | 0 | 0 | 0 | 113.4 | N369 V371 K376 E377 | N369-P373 WeakPolarHBondContact O-CD 3.22Å; N369-P373 WeakPolarHBondContact O-CG 3.4Å; V371-P373 VanDerWaalsContact C-CD 3.49Å; P373-K376 PolarHBondContact O-N 2.91Å; P373-E377 PolarHBondContact O-N 3.4Å; P373-E377 VanDerWaalsContact O-N 3.12Å |
| 374 | F | 97.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 13% | 0.132 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.1 | 177.4 | -90.4 | 0 | 0 | 0 | 111.2 | M331 V371 I372 K376 E377 N378 A389 | M331-F374 HydrophobicContact CB-CD1 4.13Å; M331-F374 HydrophobicContact CB-CD2 3.96Å; M331-F374 HydrophobicContact CB-CE1 4.01Å; M331-F374 HydrophobicContact CB-CE2 3.83Å; M331-F374 HydrophobicContact CB-CG 4.12Å; M331-F374 HydrophobicContact CB-CZ 3.86Å; M331-F374 HydrophobicContact CE-CB 3.64Å; M331-F374 HydrophobicContact CE-CD2 4.14Å; M331-F374 HydrophobicContact CE-CG 3.91Å; M331-F374 HydrophobicContact CG-CD1 4.18Å; M331-F374 HydrophobicContact CG-CE1 4.39Å; M331-F374 HydrophobicContact CG-CG 4.32Å; M331-F374 WeakPolarHBondContact O-CZ 3.4Å; M331-F374 HydrophobicContact SD-CB 3.46Å; M331-F374 WeakPolarHBondContact SD-CB 3.46Å; M331-F374 HydrophobicContact SD-CD1 3.61Å; M331-F374 HydrophobicContact SD-CD2 4.15Å; M331-F374 HydrophobicContact SD-CE1 4.39Å; M331-F374 HydrophobicContact SD-CG 3.48Å; M331-F374 WeakPolarHBondContact SD-CG 3.15Å; V371-F374 WeakPolarHBondContact O-CB 3.31Å; V371-F374 PolarHBondContact O-N 2.82Å; I372-F374 VanDerWaalsContact C-N 3.35Å; I372-F374 PolarHBondContact O-N 3.12Å; F374-K376 PolarHBondContact O-N 3.41Å; F374-E377 PolarHBondContact O-N 2.86Å; F374-N378 WeakPolarHBondContact CD2-ND2 3.24Å; F374-N378 HydrophobicContact CE1-CB 4.46Å; F374-N378 VanDerWaalsContact CE2-ND2 3.26Å; F374-N378 WeakPolarHBondContact CE2-ND2 3.31Å; F374-N378 WeakPolarHBondContact CG-ND2 3.44Å; F374-N378 WeakPolarHBondContact O-CB 3.43Å; F374-N378 PolarHBondContact O-N 3.45Å; F374-N378 VanDerWaalsContact O-N 3.07Å; F374-N378 PolarHBondContact O-ND2 3.48Å; F374-A389 HydrophobicContact CE1-CB 4.18Å; F374-A389 HydrophobicContact CZ-CB 4.18Å |
| 375 | V | 97.6 | Very high | 96.8 | Very high | 14 Ų | 14 | 60.3 Ų | 60.3 | 9% | 0.085 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.1 | -50.4 | 177.1 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | V371 I372 E377 N378 I379 A390 F394 | V371-V375 HydrophobicContact CG1-CG2 3.83Å; V371-V375 WeakPolarHBondContact O-CG2 3.28Å; V371-V375 PolarHBondContact O-N 2.85Å; I372-V375 PolarHBondContact O-N 3.4Å; V375-E377 VanDerWaalsContact C-N 3.29Å; V375-E377 PolarHBondContact O-N 3.21Å; V375-N378 PolarHBondContact O-N 3.45Å; V375-I379 HydrophobicContact CG1-CB 4.49Å; V375-I379 WeakPolarHBondContact O-CB 3.39Å; V375-I379 VanDerWaalsContact O-CG2 3.3Å; V375-I379 WeakPolarHBondContact O-CG2 3.47Å; V375-I379 PolarHBondContact O-N 2.93Å; V375-A390 WeakPolarHBondContact CG2-O 3.43Å; V375-F394 HydrophobicContact CG1-CB 4.15Å; V375-F394 HydrophobicContact CG1-CD2 4.35Å; V375-F394 HydrophobicContact CG2-CB 3.99Å |
| 376 | K | 96.4 | Very high | 96.9 | Very high | 154 Ų | 154 | 61.4 Ų | 61.4 | 67% | 0.67 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.7 | -35.2 | -179.1 | -74.4 | 178.3 | 178.7 | 175.9 | 0 | 113.5 | I372 P373 F374 | I372-K376 HydrophobicContact CG2-CD 4.09Å; I372-K376 HydrophobicContact CG2-CG 4.39Å; I372-K376 WeakPolarHBondContact O-CG 3.43Å; I372-K376 PolarHBondContact O-N 3.27Å; P373-K376 PolarHBondContact O-N 2.91Å; F374-K376 PolarHBondContact O-N 3.41Å |
| 377 | E | 96.9 | Very high | 96.9 | Very high | 129 Ų | 129 | 60 Ų | 60 | 60% | 0.603 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -74.2 | -36.6 | 179.2 | -167.5 | -165.3 | 137 | 0 | 0 | 112.4 | P373 F374 V375 K381 | P373-E377 PolarHBondContact O-N 3.4Å; P373-E377 VanDerWaalsContact O-N 3.12Å; F374-E377 PolarHBondContact O-N 2.86Å; V375-E377 VanDerWaalsContact C-N 3.29Å; V375-E377 PolarHBondContact O-N 3.21Å; E377-K381 IonicContact OE1-NZ 3.99Å; E377-K381 PolarHBondContact OE1-NZ 2.91Å |
| 378 | N | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.011 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -104.1 | -23.6 | -164.4 | -67.5 | -65.6 | 0 | 0 | 0 | 114.4 | F374 V375 K380 K381 Y386 A390 | F374-N378 WeakPolarHBondContact CD2-ND2 3.24Å; F374-N378 HydrophobicContact CE1-CB 4.46Å; F374-N378 VanDerWaalsContact CE2-ND2 3.26Å; F374-N378 WeakPolarHBondContact CE2-ND2 3.31Å; F374-N378 WeakPolarHBondContact CG-ND2 3.44Å; F374-N378 WeakPolarHBondContact O-CB 3.43Å; F374-N378 PolarHBondContact O-N 3.45Å; F374-N378 VanDerWaalsContact O-N 3.07Å; F374-N378 PolarHBondContact O-ND2 3.48Å; V375-N378 PolarHBondContact O-N 3.45Å; N378-K380 PolarHBondContact O-N 3.24Å; N378-K381 WeakPolarHBondContact O-CB 3.45Å; N378-K381 PolarHBondContact O-N 3.01Å; N378-K381 VanDerWaalsContact OD1-CD 3.26Å; N378-K381 WeakPolarHBondContact OD1-CD 3.39Å; N378-K381 WeakPolarHBondContact OD1-CE 3.48Å; N378-K381 PolarHBondContact OD1-NZ 3.12Å; N378-Y386 VanDerWaalsContact OD1-CD1 3.23Å; N378-Y386 WeakPolarHBondContact OD1-CD1 3.48Å; N378-A390 HydrophobicContact CB-CB 3.87Å |
| 379 | I | 96.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 59.7 Ų | 59.7 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.8 | -172.9 | -164.8 | 64.2 | 0 | 0 | 0 | 114.9 | V375 A390 V391 V416 L420 | V375-I379 HydrophobicContact CG1-CB 4.49Å; V375-I379 WeakPolarHBondContact O-CB 3.39Å; V375-I379 VanDerWaalsContact O-CG2 3.3Å; V375-I379 WeakPolarHBondContact O-CG2 3.47Å; V375-I379 PolarHBondContact O-N 2.93Å; I379-A390 HydrophobicContact CB-CB 4.1Å; I379-A390 HydrophobicContact CD1-CB 3.97Å; I379-V391 HydrophobicContact CD1-CB 4.46Å; I379-V391 HydrophobicContact CD1-CG2 3.36Å; I379-V416 HydrophobicContact CG1-CG1 3.91Å; I379-L420 HydrophobicContact CD1-CD1 3.48Å; I379-L420 VanDerWaalsContact CD1-CD1 3.48Å; I379-L420 HydrophobicContact CG1-CD1 3.9Å |
| 380 | K | 95.6 | Very high | 97 | Very high | 152 Ų | 152 | 53.6 Ų | 53.6 | 66% | 0.661 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | 14.6 | 177.1 | -65.8 | -172.6 | 178.5 | -166.9 | 0 | 113.9 | N378 | N378-K380 PolarHBondContact O-N 3.24Š|
| 381 | K | 95.9 | Very high | 97.1 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | trans | -66.8 | 147.6 | 178.2 | -82 | -173.1 | -178.3 | 169.5 | 0 | 110.8 | E377 N378 D383 Y386 R387 | E377-K381 IonicContact OE1-NZ 3.99Å; E377-K381 PolarHBondContact OE1-NZ 2.91Å; N378-K381 WeakPolarHBondContact O-CB 3.45Å; N378-K381 PolarHBondContact O-N 3.01Å; N378-K381 VanDerWaalsContact OD1-CD 3.26Å; N378-K381 WeakPolarHBondContact OD1-CD 3.39Å; N378-K381 WeakPolarHBondContact OD1-CE 3.48Å; N378-K381 PolarHBondContact OD1-NZ 3.12Å; K381-D383 PolarHBondContact O-N 3.44Å; K381-Y386 HydrophobicContact CD-CD1 4.37Å; K381-Y386 HydrophobicContact CD-CD2 4.5Å; K381-Y386 HydrophobicContact CD-CG 4.03Å; K381-R387 WeakPolarHBondContact O-CD 3.44Å; K381-R387 WeakPolarHBondContact O-CG 3.28Å; K381-R387 PolarHBondContact O-NH1 2.96Å | ||
| 382 | P | 96.3 | Very high | 97.1 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 78% | 0.779 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -64.2 | -28.9 | 177 | -23.4 | 34.2 | 0 | 0 | 0 | 113.8 | W384 R387 | P382-W384 PolarHBondContact O-N 2.72Å; P382-R387 PolarHBondContact O-NH1 2.94Å |
| 383 | D | 96.4 | Very high | 97.1 | Very high | 64 Ų | 64 | 52.3 Ų | 52.3 | 34% | 0.342 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -77.1 | 120.4 | 175.1 | -173.9 | -7.2 | 0 | 0 | 0 | 109.9 | K381 R385 Y386 R387 | K381-D383 PolarHBondContact O-N 3.44Å; D383-R385 PolarHBondContact O-N 3.33Å; D383-R385 PolarHBondContact OD1-N 2.99Å; D383-Y386 HydrophobicContact CB-CD2 3.96Å; D383-Y386 PolarHBondContact O-N 3.04Å; D383-R387 PolarHBondContact O-N 2.9Å |
| 384 | W | 96.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 49.2 Ų | 49.2 | 13% | 0.129 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -28.9 | -177.5 | 72.6 | -102.5 | 0 | 0 | 0 | 112 | Q337 E339 P382 Y386 R387 D388 A427 V428 | Q337-W384 HydrophobicContact CB-CH2 3.76Å; Q337-W384 HydrophobicContact CB-CZ3 4.11Å; Q337-W384 HydrophobicContact CG-CZ3 4.47Å; E339-W384 HydrophobicContact CG-CH2 3.93Å; E339-W384 HydrophobicContact CG-CZ2 3.57Å; E339-W384 VanDerWaalsContact OE1-CZ2 3.23Å; E339-W384 WeakPolarHBondContact OE1-CZ2 3.38Å; E339-W384 PolarHBondContact OE1-NE1 3.3Å; E339-W384 VanDerWaalsContact OE1-NE1 3.13Å; P382-W384 PolarHBondContact O-N 2.72Å; W384-Y386 VanDerWaalsContact C-N 3.3Å; W384-Y386 PolarHBondContact O-N 3.12Å; W384-R387 PolarHBondContact O-N 2.91Å; W384-R387 VanDerWaalsContact O-N 3.15Å; W384-D388 HydrophobicContact CE3-CB 4.08Å; W384-D388 HydrophobicContact CZ3-CB 4.28Å; W384-D388 VanDerWaalsContact O-CB 3.3Å; W384-D388 WeakPolarHBondContact O-CB 3.31Å; W384-D388 PolarHBondContact O-N 3.45Å; W384-A427 HydrophobicContact CE3-CB 3.73Å; W384-A427 HydrophobicContact CH2-CB 4.2Å; W384-A427 HydrophobicContact CZ3-CB 3.42Å; W384-A427 VanDerWaalsContact CZ3-CB 3.42Å; W384-V428 HydrophobicContact CB-CG2 4.03Å |
| 385 | R | 96.7 | Very high | 97.2 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 179.1 | -72.1 | 179.7 | 171 | 72.5 | 7.8 | 112 | Q337 D383 A389 | Q337-R385 PolarHBondContact NE2-O 3.46Å; Q337-R385 PolarHBondContact O-NE 3.17Å; Q337-R385 PolarHBondContact O-NH2 3.28Å; Q337-R385 VanDerWaalsContact O-NH2 3.09Å; D383-R385 PolarHBondContact O-N 3.33Å; D383-R385 PolarHBondContact OD1-N 2.99Å; R385-A389 WeakPolarHBondContact O-CB 3.34Å; R385-A389 PolarHBondContact O-N 2.75Å |
| 386 | Y | 97.4 | Very high | 97.1 | Very high | 89 Ų | 89 | 47.4 Ų | 47.4 | 35% | 0.349 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.3 | -35.1 | 176.6 | -76 | -80.6 | 0 | 0 | 0 | 112.5 | A335 N378 K381 D383 W384 A390 | A335-Y386 HydrophobicContact CB-CD1 3.94Å; A335-Y386 HydrophobicContact CB-CE1 3.87Å; A335-Y386 HydrophobicContact CB-CG 4.42Å; N378-Y386 VanDerWaalsContact OD1-CD1 3.23Å; N378-Y386 WeakPolarHBondContact OD1-CD1 3.48Å; K381-Y386 HydrophobicContact CD-CD1 4.37Å; K381-Y386 HydrophobicContact CD-CD2 4.5Å; K381-Y386 HydrophobicContact CD-CG 4.03Å; D383-Y386 HydrophobicContact CB-CD2 3.96Å; D383-Y386 PolarHBondContact O-N 3.04Å; W384-Y386 VanDerWaalsContact C-N 3.3Å; W384-Y386 PolarHBondContact O-N 3.12Å; Y386-A390 VanDerWaalsContact O-CB 3.26Å; Y386-A390 WeakPolarHBondContact O-CB 3.3Å; Y386-A390 PolarHBondContact O-N 3.3Å |
| 387 | R | 97.6 | Very high | 97.2 | Very high | 16 Ų | 16 | 40 Ų | 40 | 6% | 0.06 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -49.4 | 173.5 | -62.8 | -161.5 | -61.5 | -82.5 | 8 | 110.4 | K381 P382 D383 W384 A390 V391 D423 E424 V428 | K381-R387 WeakPolarHBondContact O-CD 3.44Å; K381-R387 WeakPolarHBondContact O-CG 3.28Å; K381-R387 PolarHBondContact O-NH1 2.96Å; P382-R387 PolarHBondContact O-NH1 2.94Å; D383-R387 PolarHBondContact O-N 2.9Å; W384-R387 PolarHBondContact O-N 2.91Å; W384-R387 VanDerWaalsContact O-N 3.15Å; R387-A390 WeakPolarHBondContact O-CB 3.27Å; R387-A390 PolarHBondContact O-N 3.17Å; R387-V391 WeakPolarHBondContact O-CG2 3.45Å; R387-V391 PolarHBondContact O-N 3.37Å; R387-D423 IonicContact CZ-OD1 3.78Å; R387-D423 IonicContact CZ-OD2 2.82Å; R387-D423 IonicContact NE-OD1 2.68Å; R387-D423 IonicContact NE-OD2 3.76Å; R387-D423 PolarHBondContact NE-OD2 3Å; R387-D423 IonicContact NH2-OD1 2.75Å; R387-D423 PolarHBondContact NH2-OD1 3.46Å; R387-D423 IonicContact NH2-OD2 3.27Å; R387-D423 PolarHBondContact NH2-OD2 3.01Å; R387-E424 IonicContact CZ-OE1 3.34Å; R387-E424 IonicContact NH2-OE1 2.72Å; R387-E424 PolarHBondContact NH2-OE1 2.86Å; R387-E424 VanDerWaalsContact NH2-OE1 3.11Å; R387-V428 HydrophobicContact CB-CG1 4.4Å; R387-V428 HydrophobicContact CB-CG2 3.97Å |
| 388 | D | 97.2 | Very high | 97.2 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 177.6 | -174.5 | 70.4 | 0 | 0 | 0 | 111.2 | Q337 W384 A390 V391 M392 A427 V428 T431 | Q337-D388 PolarHBondContact NE2-OD2 2.84Å; W384-D388 HydrophobicContact CE3-CB 4.08Å; W384-D388 HydrophobicContact CZ3-CB 4.28Å; W384-D388 VanDerWaalsContact O-CB 3.3Å; W384-D388 WeakPolarHBondContact O-CB 3.31Å; W384-D388 PolarHBondContact O-N 3.45Å; D388-A390 VanDerWaalsContact C-N 3.28Å; D388-A390 PolarHBondContact O-N 3.37Å; D388-V391 PolarHBondContact O-N 2.7Å; D388-V391 VanDerWaalsContact O-N 3.15Å; D388-M392 WeakPolarHBondContact O-CB 3.22Å; D388-M392 PolarHBondContact O-N 2.89Å; D388-A427 VanDerWaalsContact OD1-C 3.31Å; D388-A427 VanDerWaalsContact OD1-O 3.07Å; D388-V428 HydrophobicContact CB-CG2 4.01Å; D388-T431 WeakPolarHBondContact OD1-CB 3.39Å; D388-T431 PolarHBondContact OD1-OG1 2.92Å |
| 389 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L334 A335 F374 R385 S393 | L334-A389 HydrophobicContact CB-CB 3.97Å; L334-A389 WeakPolarHBondContact O-CB 3.43Å; A335-A389 HydrophobicContact CB-CB 4.02Å; F374-A389 HydrophobicContact CE1-CB 4.18Å; F374-A389 HydrophobicContact CZ-CB 4.18Å; R385-A389 WeakPolarHBondContact O-CB 3.34Å; R385-A389 PolarHBondContact O-N 2.75Å; A389-S393 VanDerWaalsContact O-CB 3.25Å; A389-S393 WeakPolarHBondContact O-CB 3.48Å; A389-S393 PolarHBondContact O-N 2.94Å; A389-S393 PolarHBondContact O-OG 3.25Å |
| 390 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.8 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V375 N378 I379 Y386 R387 D388 F394 | V375-A390 WeakPolarHBondContact CG2-O 3.43Å; N378-A390 HydrophobicContact CB-CB 3.87Å; I379-A390 HydrophobicContact CB-CB 4.1Å; I379-A390 HydrophobicContact CD1-CB 3.97Å; Y386-A390 VanDerWaalsContact O-CB 3.26Å; Y386-A390 WeakPolarHBondContact O-CB 3.3Å; Y386-A390 PolarHBondContact O-N 3.3Å; R387-A390 WeakPolarHBondContact O-CB 3.27Å; R387-A390 PolarHBondContact O-N 3.17Å; D388-A390 VanDerWaalsContact C-N 3.28Å; D388-A390 PolarHBondContact O-N 3.37Å; A390-F394 WeakPolarHBondContact O-CB 3.03Å; A390-F394 PolarHBondContact O-N 3.06Å |
| 391 | V | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.6 | -46.4 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | I379 R387 D388 S393 F394 G395 L420 T431 V432 T435 | I379-V391 HydrophobicContact CD1-CB 4.46Å; I379-V391 HydrophobicContact CD1-CG2 3.36Å; R387-V391 WeakPolarHBondContact O-CG2 3.45Å; R387-V391 PolarHBondContact O-N 3.37Å; D388-V391 PolarHBondContact O-N 2.7Å; D388-V391 VanDerWaalsContact O-N 3.15Å; V391-S393 PolarHBondContact O-N 3.1Å; V391-F394 WeakPolarHBondContact O-CB 3.18Å; V391-F394 PolarHBondContact O-N 3.46Å; V391-F394 VanDerWaalsContact O-N 3.15Å; V391-G395 PolarHBondContact O-N 3.47Å; V391-L420 HydrophobicContact CG2-CD1 3.72Å; V391-T431 HydrophobicContact CB-CG2 3.96Å; V391-T431 HydrophobicContact CG1-CG2 3.83Å; V391-V432 HydrophobicContact CB-CG2 4.41Å; V391-V432 HydrophobicContact CG1-CB 4.4Å; V391-V432 HydrophobicContact CG1-CG2 3.78Å; V391-V432 HydrophobicContact CG2-CG2 3.9Å; V391-T435 HydrophobicContact CG1-CG2 4.29Å; V391-T435 VanDerWaalsContact CG1-OG1 3.28Å; V391-T435 WeakPolarHBondContact CG1-OG1 3.23Å; V391-T435 PolarHBondContact O-OG1 2.93Å |
| 392 | M | 97.8 | Very high | 97.1 | Very high | 45 Ų | 45 | 32.1 Ų | 32.1 | 22% | 0.222 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.4 | -51.1 | 177.2 | -177.3 | 58.8 | 76.3 | 0 | 0 | 110.4 | L334 D388 F394 G395 S396 T431 W434 | L334-M392 HydrophobicContact CD1-CG 4.24Å; L334-M392 HydrophobicContact CD2-CG 3.87Å; D388-M392 WeakPolarHBondContact O-CB 3.22Å; D388-M392 PolarHBondContact O-N 2.89Å; M392-F394 VanDerWaalsContact C-N 3.26Å; M392-F394 PolarHBondContact O-N 3.2Å; M392-G395 PolarHBondContact O-N 2.95Å; M392-S396 WeakPolarHBondContact O-CB 3.4Å; M392-S396 PolarHBondContact O-N 3.29Å; M392-S396 PolarHBondContact O-OG 3.21Å; M392-T431 HydrophobicContact CB-CG2 3.77Å; M392-T431 HydrophobicContact CE-CG2 3.84Å; M392-T431 HydrophobicContact SD-CG2 4.35Å; M392-W434 HydrophobicContact SD-CE3 4.33Å; M392-W434 HydrophobicContact SD-CH2 4.42Å; M392-W434 HydrophobicContact SD-CZ3 3.91Å |
| 393 | S | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -36.9 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | V371 A389 V391 | V371-S393 WeakPolarHBondContact CG1-O 3.37Å; A389-S393 VanDerWaalsContact O-CB 3.25Å; A389-S393 WeakPolarHBondContact O-CB 3.48Å; A389-S393 PolarHBondContact O-N 2.94Å; A389-S393 PolarHBondContact O-OG 3.25Å; V391-S393 PolarHBondContact O-N 3.1Å |
| 394 | F | 98.2 | Very high | 96.9 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.6 | -47.4 | 176 | -176.5 | -100.7 | 0 | 0 | 0 | 112 | I372 V375 A390 V391 M392 S396 I397 L398 V410 A413 I417 T435 | I372-F394 HydrophobicContact CD1-CD2 4.04Å; I372-F394 HydrophobicContact CD1-CE2 4.08Å; V375-F394 HydrophobicContact CG1-CB 4.15Å; V375-F394 HydrophobicContact CG1-CD2 4.35Å; V375-F394 HydrophobicContact CG2-CB 3.99Å; A390-F394 WeakPolarHBondContact O-CB 3.03Å; A390-F394 PolarHBondContact O-N 3.06Å; V391-F394 WeakPolarHBondContact O-CB 3.18Å; V391-F394 PolarHBondContact O-N 3.46Å; V391-F394 VanDerWaalsContact O-N 3.15Å; M392-F394 VanDerWaalsContact C-N 3.26Å; M392-F394 PolarHBondContact O-N 3.2Å; F394-S396 VanDerWaalsContact C-N 3.33Å; F394-S396 PolarHBondContact O-N 3.26Å; F394-I397 VanDerWaalsContact O-CG1 3.25Å; F394-I397 WeakPolarHBondContact O-CG1 3.43Å; F394-I397 PolarHBondContact O-N 2.97Å; F394-L398 HydrophobicContact CE1-CD2 4.04Å; F394-L398 HydrophobicContact CZ-CD2 4.2Å; F394-V410 HydrophobicContact CZ-CB 4.47Å; F394-V410 HydrophobicContact CZ-CG2 3.92Å; F394-A413 HydrophobicContact CE1-CB 4.18Å; F394-A413 HydrophobicContact CE2-CB 4.18Å; F394-A413 HydrophobicContact CZ-CB 3.72Å; F394-I417 HydrophobicContact CD1-CD1 3.78Å; F394-I417 HydrophobicContact CE1-CD1 3.44Å; F394-I417 VanDerWaalsContact CE1-CD1 3.44Å; F394-I417 HydrophobicContact CZ-CD1 4.31Å; F394-T435 HydrophobicContact CD1-CG2 3.86Å; F394-T435 HydrophobicContact CE1-CG2 4.43Å |
| 395 | G | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -36.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | V391 M392 I397 L398 | V391-G395 PolarHBondContact O-N 3.47Å; M392-G395 PolarHBondContact O-N 2.95Å; G395-I397 PolarHBondContact O-N 3.32Å; G395-L398 PolarHBondContact O-N 3.13Å |
| 396 | S | 97.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -22.6 | 179.2 | -64.5 | 0 | 0 | 0 | 0 | 114.3 | M357 M392 F394 | M357-S396 WeakPolarHBondContact CA-O 3.38Å; M392-S396 WeakPolarHBondContact O-CB 3.4Å; M392-S396 PolarHBondContact O-N 3.29Å; M392-S396 PolarHBondContact O-OG 3.21Å; F394-S396 VanDerWaalsContact C-N 3.33Å; F394-S396 PolarHBondContact O-N 3.26Å |
| 397 | I | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 9 | -178.3 | 66.4 | 160.6 | 0 | 0 | 0 | 114 | A360 I367 V368 V371 I372 F394 G395 E399 P401 | A360-I397 HydrophobicContact CB-CB 4.26Å; A360-I397 HydrophobicContact CB-CG2 4.15Å; I367-I397 HydrophobicContact CD1-CG2 4.11Å; I367-I397 HydrophobicContact CG1-CG2 4.29Å; I367-I397 HydrophobicContact CG2-CB 4.25Å; I367-I397 HydrophobicContact CG2-CG2 3.96Å; V368-I397 HydrophobicContact CG2-CD1 4.47Å; V371-I397 HydrophobicContact CB-CD1 4.03Å; V371-I397 HydrophobicContact CB-CG2 4.29Å; V371-I397 HydrophobicContact CG1-CD1 3.84Å; V371-I397 HydrophobicContact CG1-CG1 4.33Å; V371-I397 HydrophobicContact CG1-CG2 4.21Å; V371-I397 HydrophobicContact CG2-CG2 3.93Å; I372-I397 HydrophobicContact CD1-CD1 4.14Å; I372-I397 HydrophobicContact CG1-CD1 4.46Å; F394-I397 VanDerWaalsContact O-CG1 3.25Å; F394-I397 WeakPolarHBondContact O-CG1 3.43Å; F394-I397 PolarHBondContact O-N 2.97Å; G395-I397 PolarHBondContact O-N 3.32Å; I397-E399 PolarHBondContact O-N 3.33Å; I397-P401 WeakPolarHBondContact O-CD 3.47Å; I397-P401 WeakPolarHBondContact O-CG 3.39Å |
| 398 | L | 97.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -75.6 | -15.4 | 179.9 | -66 | 179.1 | 0 | 0 | 0 | 113.3 | F394 G395 L406 V410 T435 R438 V439 | F394-L398 HydrophobicContact CE1-CD2 4.04Å; F394-L398 HydrophobicContact CZ-CD2 4.2Å; G395-L398 PolarHBondContact O-N 3.13Å; L398-L406 WeakPolarHBondContact O-CD1 3.37Å; L398-V410 HydrophobicContact CD2-CG2 3.71Å; L398-T435 HydrophobicContact CD1-CG2 4.39Å; L398-R438 HydrophobicContact CD1-CB 3.84Å; L398-V439 HydrophobicContact CD1-CG2 3.55Å |
| 399 | E | 95.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 30.5 Ų | 30.5 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -116.9 | 135.1 | 177.3 | -170.9 | 176.4 | -179.4 | 0 | 0 | 109.6 | A360 Q361 I397 P401 R438 T442 | A360-E399 WeakPolarHBondContact CB-O 3.43Å; Q361-E399 HydrophobicContact CG-CG 4.19Å; Q361-E399 PolarHBondContact NE2-OE2 3.38Å; I397-E399 PolarHBondContact O-N 3.33Å; E399-P401 WeakPolarHBondContact O-CD 3.32Å; E399-R438 IonicContact OE2-NH1 4Å; E399-R438 PolarHBondContact OE2-NH1 3Å; E399-T442 HydrophobicContact CB-CG2 4.46Å |
| 400 | G | 94.8 | Very high | 96.5 | Very high | 34 Ų | 34 | 30.5 Ų | 30.5 | 35% | 0.351 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 112 | -67.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A360 | A360-G400 WeakPolarHBondContact O-CA 3.37Š|
| 401 | P | 96.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -59 | 159.4 | 178.1 | -22.7 | 33.1 | 0 | 0 | 0 | 113.6 | I367 V368 I397 E399 P403 L406 | I367-P401 HydrophobicContact CG2-CG 4.15Å; V368-P401 HydrophobicContact CG2-CB 3.84Å; V368-P401 HydrophobicContact CG2-CG 3.72Å; I397-P401 WeakPolarHBondContact O-CD 3.47Å; I397-P401 WeakPolarHBondContact O-CG 3.39Å; E399-P401 WeakPolarHBondContact O-CD 3.32Å; P401-P403 VanDerWaalsContact O-CD 3.32Å; P401-P403 WeakPolarHBondContact O-CD 3.37Å; P401-L406 HydrophobicContact CB-CD1 3.88Å; P401-L406 HydrophobicContact CB-CD2 4.04Å; P401-L406 HydrophobicContact CB-CG 3.89Å; P401-L406 HydrophobicContact CG-CD1 4.27Å; P401-L406 HydrophobicContact CG-CD2 4.34Å |
| 402 | D | 95.5 | Very high | 96.2 | Very high | 82 Ų | 82 | 38.2 Ų | 38.2 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | trans | -58.6 | 120.9 | 178.9 | -179.8 | -5.4 | 0 | 0 | 0 | 110 | D365 A404 A405 L406 | D365-D402 PolarHBondContact OD1-N 2.88Å; D402-A404 PolarHBondContact O-N 3.37Å; D402-A404 VanDerWaalsContact O-N 3.08Å; D402-A404 WeakPolarHBondContact OD1-CB 3.47Å; D402-A404 PolarHBondContact OD1-N 2.96Å; D402-A405 HydrophobicContact CB-CB 4.15Å; D402-A405 WeakPolarHBondContact O-CA 3.23Å; D402-A405 WeakPolarHBondContact O-CB 3.33Å; D402-A405 PolarHBondContact O-N 3Å; D402-L406 PolarHBondContact O-N 3.29Å | ||
| 403 | P | 94.5 | Very high | 96.2 | Very high | 76 Ų | 76 | 37 Ų | 37 | 49% | 0.494 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -51.4 | -34.3 | 176.8 | -29.2 | 36.2 | 0 | 0 | 0 | 113.3 | P401 A405 L406 K407 L443 | P401-P403 VanDerWaalsContact O-CD 3.32Å; P401-P403 WeakPolarHBondContact O-CD 3.37Å; P403-A405 VanDerWaalsContact C-N 3.33Å; P403-A405 PolarHBondContact O-N 2.99Å; P403-L406 PolarHBondContact O-N 3.45Å; P403-K407 WeakPolarHBondContact O-CB 3.46Å; P403-K407 PolarHBondContact O-N 3.44Å; P403-L443 HydrophobicContact CB-CD2 3.88Å |
| 404 | A | 94.5 | Very high | 96 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 57% | 0.57 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.4 | -31.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D402 P408 | D402-A404 PolarHBondContact O-N 3.37Å; D402-A404 VanDerWaalsContact O-N 3.08Å; D402-A404 WeakPolarHBondContact OD1-CB 3.47Å; D402-A404 PolarHBondContact OD1-N 2.96Å; A404-P408 WeakPolarHBondContact O-CD 3.38Å |
| 405 | A | 93.4 | Very high | 95.9 | Very high | 49 Ų | 49 | 40 Ų | 40 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -77.7 | -34.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | D402 P403 P408 | D402-A405 HydrophobicContact CB-CB 4.15Å; D402-A405 WeakPolarHBondContact O-CA 3.23Å; D402-A405 WeakPolarHBondContact O-CB 3.33Å; D402-A405 PolarHBondContact O-N 3Å; P403-A405 VanDerWaalsContact C-N 3.33Å; P403-A405 PolarHBondContact O-N 2.99Å; A405-P408 WeakPolarHBondContact O-CD 3.23Å |
| 406 | L | 96.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.7 | -38.3 | 178.7 | -70.6 | 177.6 | 0 | 0 | 0 | 113.3 | V368 L398 P401 D402 P403 L409 V410 L443 | V368-L406 HydrophobicContact CG2-CD2 3.94Å; L398-L406 WeakPolarHBondContact O-CD1 3.37Å; P401-L406 HydrophobicContact CB-CD1 3.88Å; P401-L406 HydrophobicContact CB-CD2 4.04Å; P401-L406 HydrophobicContact CB-CG 3.89Å; P401-L406 HydrophobicContact CG-CD1 4.27Å; P401-L406 HydrophobicContact CG-CD2 4.34Å; D402-L406 PolarHBondContact O-N 3.29Å; P403-L406 PolarHBondContact O-N 3.45Å; L406-L409 WeakPolarHBondContact O-CA 3.41Å; L406-L409 VanDerWaalsContact O-CB 3.31Å; L406-L409 WeakPolarHBondContact O-CB 3.45Å; L406-L409 PolarHBondContact O-N 3.46Å; L406-V410 PolarHBondContact O-N 3.23Å; L406-L443 HydrophobicContact CB-CD1 3.82Å |
| 407 | K | 96 | Very high | 95.8 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -42.5 | -55.6 | -177.1 | -175.1 | -173 | -167.1 | 153.8 | 0 | 114.9 | P403 L409 V410 E411 L443 E445 V446 | P403-K407 WeakPolarHBondContact O-CB 3.46Å; P403-K407 PolarHBondContact O-N 3.44Å; K407-L409 PolarHBondContact O-N 2.93Å; K407-V410 PolarHBondContact O-N 3.46Å; K407-E411 VanDerWaalsContact CE-OE1 3.25Å; K407-E411 WeakPolarHBondContact CE-OE1 3.44Å; K407-E411 HydrophobicContact CG-CG 4.39Å; K407-E411 WeakPolarHBondContact O-CG 3.33Å; K407-E411 PolarHBondContact O-N 3.22Å; K407-L443 HydrophobicContact CB-CD2 4.41Å; K407-E445 WeakPolarHBondContact CD-OE1 3.37Å; K407-E445 WeakPolarHBondContact CE-OE1 3.33Å; K407-E445 IonicContact NZ-OE1 2.76Å; K407-E445 PolarHBondContact NZ-OE1 3.34Å; K407-E445 IonicContact NZ-OE2 2.76Å; K407-E445 PolarHBondContact NZ-OE2 3.25Å; K407-V446 HydrophobicContact CG-CG2 3.89Å |
| 408 | P | 96.3 | Very high | 95.8 | Very high | 71 Ų | 71 | 42.2 Ų | 42.2 | 46% | 0.461 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.3 | -28 | -178.9 | 25.6 | -36 | 0 | 0 | 0 | 113.5 | A404 A405 S412 | A404-P408 WeakPolarHBondContact O-CD 3.38Å; A405-P408 WeakPolarHBondContact O-CD 3.23Å; P408-S412 WeakPolarHBondContact O-CB 3.4Å; P408-S412 PolarHBondContact O-N 2.7Å |
| 409 | L | 95.7 | Very high | 95.8 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.9 | -44.1 | 175.6 | -62 | 170.9 | 0 | 0 | 0 | 110.6 | V368 I372 L406 K407 S412 A413 | V368-L409 HydrophobicContact CG1-CD1 3.42Å; V368-L409 VanDerWaalsContact CG1-CD1 3.42Å; I372-L409 HydrophobicContact CD1-CD1 4.1Å; I372-L409 HydrophobicContact CG1-CD1 4.07Å; L406-L409 WeakPolarHBondContact O-CA 3.41Å; L406-L409 VanDerWaalsContact O-CB 3.31Å; L406-L409 WeakPolarHBondContact O-CB 3.45Å; L406-L409 PolarHBondContact O-N 3.46Å; K407-L409 PolarHBondContact O-N 2.93Å; L409-S412 PolarHBondContact O-N 2.87Å; L409-A413 WeakPolarHBondContact O-CB 3.49Å; L409-A413 PolarHBondContact O-N 3.22Å |
| 410 | V | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | F394 L398 L406 K407 S412 A413 M414 V439 L443 V446 | F394-V410 HydrophobicContact CZ-CB 4.47Å; F394-V410 HydrophobicContact CZ-CG2 3.92Å; L398-V410 HydrophobicContact CD2-CG2 3.71Å; L406-V410 PolarHBondContact O-N 3.23Å; K407-V410 PolarHBondContact O-N 3.46Å; V410-S412 PolarHBondContact O-N 3.32Å; V410-A413 PolarHBondContact O-N 2.81Å; V410-M414 HydrophobicContact CG1-CG 4.23Å; V410-M414 HydrophobicContact CG1-SD 4.16Å; V410-M414 VanDerWaalsContact O-CG 3.31Å; V410-M414 WeakPolarHBondContact O-CG 3.18Å; V410-M414 PolarHBondContact O-N 3.04Å; V410-V439 HydrophobicContact CG1-CG1 3.75Å; V410-V439 HydrophobicContact CG1-CG2 3.85Å; V410-L443 HydrophobicContact CB-CD1 4.23Å; V410-L443 HydrophobicContact CG2-CD1 3.51Å; V410-V446 HydrophobicContact CG1-CB 4.36Å; V410-V446 HydrophobicContact CG1-CG1 3.97Å |
| 411 | E | 96.7 | Very high | 96 | Very high | 71 Ų | 71 | 44 Ų | 44 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -53.7 | -41.3 | 175 | -74.3 | 176.9 | 168.2 | 0 | 0 | 112.1 | K407 V446 Y452 | K407-E411 VanDerWaalsContact CE-OE1 3.25Å; K407-E411 WeakPolarHBondContact CE-OE1 3.44Å; K407-E411 HydrophobicContact CG-CG 4.39Å; K407-E411 WeakPolarHBondContact O-CG 3.33Å; K407-E411 PolarHBondContact O-N 3.22Å; E411-V446 HydrophobicContact CG-CG1 3.87Å; E411-V446 HydrophobicContact CG-CG2 3.91Å; E411-Y452 PolarHBondContact O-OH 2.93Å |
| 412 | S | 94.9 | Very high | 96 | Very high | 94 Ų | 94 | 49.9 Ų | 49.9 | 66% | 0.657 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71.8 | -27.4 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 113.5 | P408 L409 V410 | P408-S412 WeakPolarHBondContact O-CB 3.4Å; P408-S412 PolarHBondContact O-N 2.7Å; L409-S412 PolarHBondContact O-N 2.87Å; V410-S412 PolarHBondContact O-N 3.32Å |
| 413 | A | 95.7 | Very high | 96 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -87.9 | -28.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F394 L409 V410 P415 V416 I417 | F394-A413 HydrophobicContact CE1-CB 4.18Å; F394-A413 HydrophobicContact CE2-CB 4.18Å; F394-A413 HydrophobicContact CZ-CB 3.72Å; L409-A413 WeakPolarHBondContact O-CB 3.49Å; L409-A413 PolarHBondContact O-N 3.22Å; V410-A413 PolarHBondContact O-N 2.81Å; A413-P415 VanDerWaalsContact C-CD 3.5Å; A413-V416 PolarHBondContact O-N 3.36Å; A413-I417 HydrophobicContact CB-CD1 3.78Å; A413-I417 HydrophobicContact CB-CG1 4.32Å; A413-I417 WeakPolarHBondContact O-CG1 3.33Å; A413-I417 PolarHBondContact O-N 3.15Å |
| 414 | M | 95.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -47.4 | -47 | -175.1 | -79.4 | -53.8 | -78.8 | 0 | 0 | 114.6 | V410 V416 I417 I418 V439 V446 Y452 L456 | V410-M414 HydrophobicContact CG1-CG 4.23Å; V410-M414 HydrophobicContact CG1-SD 4.16Å; V410-M414 VanDerWaalsContact O-CG 3.31Å; V410-M414 WeakPolarHBondContact O-CG 3.18Å; V410-M414 PolarHBondContact O-N 3.04Å; M414-V416 VanDerWaalsContact C-N 3.29Å; M414-V416 PolarHBondContact O-N 3.37Å; M414-I417 PolarHBondContact O-N 3.08Å; M414-I418 HydrophobicContact CE-CD1 4.11Å; M414-I418 HydrophobicContact CE-CG1 4.43Å; M414-I418 WeakPolarHBondContact O-CB 3.43Å; M414-I418 VanDerWaalsContact O-CG1 3.26Å; M414-I418 WeakPolarHBondContact O-CG1 3.24Å; M414-I418 PolarHBondContact O-N 3.45Å; M414-V439 HydrophobicContact SD-CG1 4.07Å; M414-V446 HydrophobicContact CG-CG1 3.59Å; M414-V446 HydrophobicContact SD-CG1 4.41Å; M414-Y452 HydrophobicContact CB-CD1 4.16Å; M414-Y452 HydrophobicContact CB-CD2 4.26Å; M414-Y452 HydrophobicContact CB-CE1 4.23Å; M414-Y452 HydrophobicContact CB-CE2 4.31Å; M414-Y452 HydrophobicContact CB-CG 4.18Å; M414-Y452 HydrophobicContact CG-CD2 4.28Å; M414-Y452 HydrophobicContact CG-CE2 4.45Å; M414-L456 HydrophobicContact CE-CD2 4.31Å |
| 415 | P | 95.9 | Very high | 96.2 | Very high | 72 Ų | 72 | 47.5 Ų | 47.5 | 47% | 0.468 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 179 | -25.2 | 35.3 | 0 | 0 | 0 | 113.4 | A413 E419 Y452 | A413-P415 VanDerWaalsContact C-CD 3.5Å; P415-E419 PolarHBondContact O-N 3.08Å; P415-Y452 HydrophobicContact CG-CE1 4.08Å |
| 416 | V | 96.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 47 Ų | 47 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.7 | -41.6 | 179.6 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | I379 A413 M414 I418 E419 L420 | I379-V416 HydrophobicContact CG1-CG1 3.91Å; A413-V416 PolarHBondContact O-N 3.36Å; M414-V416 VanDerWaalsContact C-N 3.29Å; M414-V416 PolarHBondContact O-N 3.37Å; V416-I418 VanDerWaalsContact C-N 3.35Å; V416-I418 PolarHBondContact O-N 2.99Å; V416-E419 WeakPolarHBondContact O-CB 3.19Å; V416-E419 PolarHBondContact O-N 3.12Å; V416-L420 HydrophobicContact CG1-CD1 4.19Å; V416-L420 HydrophobicContact CG1-CG 4.46Å; V416-L420 WeakPolarHBondContact O-CG 3.32Å; V416-L420 PolarHBondContact O-N 3.17Å |
| 417 | I | 96.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 177.6 | -65.9 | 173.7 | 0 | 0 | 0 | 110.6 | F394 A413 M414 E419 L420 L421 V432 T435 I436 | F394-I417 HydrophobicContact CD1-CD1 3.78Å; F394-I417 HydrophobicContact CE1-CD1 3.44Å; F394-I417 VanDerWaalsContact CE1-CD1 3.44Å; F394-I417 HydrophobicContact CZ-CD1 4.31Å; A413-I417 HydrophobicContact CB-CD1 3.78Å; A413-I417 HydrophobicContact CB-CG1 4.32Å; A413-I417 WeakPolarHBondContact O-CG1 3.33Å; A413-I417 PolarHBondContact O-N 3.15Å; M414-I417 PolarHBondContact O-N 3.08Å; I417-E419 VanDerWaalsContact C-N 3.31Å; I417-E419 PolarHBondContact O-N 3.17Å; I417-L420 PolarHBondContact O-N 3.44Å; I417-L421 PolarHBondContact O-N 3.25Å; I417-V432 HydrophobicContact CG2-CG1 4.01Å; I417-V432 VanDerWaalsContact O-CG1 3.24Å; I417-V432 WeakPolarHBondContact O-CG1 3.41Å; I417-T435 HydrophobicContact CD1-CG2 4.32Å; I417-I436 HydrophobicContact CG2-CD1 4Å; I417-I436 HydrophobicContact CG2-CG1 3.59Å |
| 418 | I | 96.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -34.4 | 176.3 | -66 | 167.2 | 0 | 0 | 0 | 111.7 | M414 V416 L421 P455 L456 | M414-I418 HydrophobicContact CE-CD1 4.11Å; M414-I418 HydrophobicContact CE-CG1 4.43Å; M414-I418 WeakPolarHBondContact O-CB 3.43Å; M414-I418 VanDerWaalsContact O-CG1 3.26Å; M414-I418 WeakPolarHBondContact O-CG1 3.24Å; M414-I418 PolarHBondContact O-N 3.45Å; V416-I418 VanDerWaalsContact C-N 3.35Å; V416-I418 PolarHBondContact O-N 2.99Å; I418-L421 WeakPolarHBondContact O-CB 3.27Å; I418-P455 HydrophobicContact CD1-CB 4.33Å; I418-P455 HydrophobicContact CG2-CB 3.92Å; I418-L456 HydrophobicContact CD1-CB 4.12Å; I418-L456 HydrophobicContact CG1-CB 4.47Å; I418-L456 HydrophobicContact CG1-CD1 4.25Å |
| 419 | E | 96.7 | Very high | 96.2 | Very high | 125 Ų | 125 | 42.3 Ų | 42.3 | 58% | 0.584 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.1 | -42.8 | 173.9 | -175 | -178.4 | 174.4 | 0 | 0 | 111.3 | P415 V416 I417 L421 R422 | P415-E419 PolarHBondContact O-N 3.08Å; V416-E419 WeakPolarHBondContact O-CB 3.19Å; V416-E419 PolarHBondContact O-N 3.12Å; I417-E419 VanDerWaalsContact C-N 3.31Å; I417-E419 PolarHBondContact O-N 3.17Å; E419-L421 PolarHBondContact O-N 3.46Å; E419-R422 PolarHBondContact O-N 3.03Å |
| 420 | L | 97.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.1 | -12 | -178.4 | -66.1 | 171.8 | 0 | 0 | 0 | 114.2 | I379 V391 V416 I417 R422 D423 V428 V432 | I379-L420 HydrophobicContact CD1-CD1 3.48Å; I379-L420 VanDerWaalsContact CD1-CD1 3.48Å; I379-L420 HydrophobicContact CG1-CD1 3.9Å; V391-L420 HydrophobicContact CG2-CD1 3.72Å; V416-L420 HydrophobicContact CG1-CD1 4.19Å; V416-L420 HydrophobicContact CG1-CG 4.46Å; V416-L420 WeakPolarHBondContact O-CG 3.32Å; V416-L420 PolarHBondContact O-N 3.17Å; I417-L420 PolarHBondContact O-N 3.44Å; L420-R422 PolarHBondContact O-N 2.65Å; L420-R422 VanDerWaalsContact O-N 3.09Å; L420-D423 HydrophobicContact CD2-CB 4.41Å; L420-D423 WeakPolarHBondContact CD2-OD2 3.35Å; L420-D423 VanDerWaalsContact O-CB 3.27Å; L420-D423 WeakPolarHBondContact O-CB 3.25Å; L420-D423 PolarHBondContact O-N 2.96Å; L420-V428 HydrophobicContact CB-CG1 4.37Å; L420-V428 HydrophobicContact CD2-CG1 4.26Å; L420-V432 HydrophobicContact CB-CG1 4.34Å; L420-V432 HydrophobicContact CB-CG2 3.48Å; L420-V432 VanDerWaalsContact CB-CG2 3.48Å; L420-V432 HydrophobicContact CD1-CG2 4.34Å |
| 421 | L | 96.5 | Very high | 96.2 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.4 | 165.9 | -81.8 | 174.9 | 0 | 0 | 0 | 112.3 | I417 I418 E419 R429 V432 A433 I436 L460 | I417-L421 PolarHBondContact O-N 3.25Å; I418-L421 WeakPolarHBondContact O-CB 3.27Å; E419-L421 PolarHBondContact O-N 3.46Å; L421-R429 WeakPolarHBondContact O-CD 3.36Å; L421-V432 HydrophobicContact CB-CG1 4.46Å; L421-V432 HydrophobicContact CD2-CG1 3.77Å; L421-V432 HydrophobicContact CG-CG1 3.74Å; L421-A433 HydrophobicContact CD2-CB 4.46Å; L421-I436 HydrophobicContact CD1-CD1 3.51Å; L421-I436 HydrophobicContact CD2-CD1 3.8Å; L421-I436 HydrophobicContact CG-CD1 3.61Å; L421-L460 HydrophobicContact CD1-CD2 4.44Å |
| 422 | R | 96.6 | Very high | 96.3 | Very high | 127 Ų | 127 | 38.5 Ų | 38.5 | 48% | 0.479 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 19.7 | 176.5 | -58.2 | -177.4 | -179.2 | 92.9 | -2.4 | 112.6 | E419 L420 E462 | E419-R422 PolarHBondContact O-N 3.03Å; L420-R422 PolarHBondContact O-N 2.65Å; L420-R422 VanDerWaalsContact O-N 3.09Å; R422-E462 IonicContact CZ-OE1 2.92Å; R422-E462 IonicContact CZ-OE2 2.88Å; R422-E462 VanDerWaalsContact CZ-OE2 3.25Å; R422-E462 IonicContact NE-OE1 3.77Å; R422-E462 IonicContact NE-OE2 2.97Å; R422-E462 PolarHBondContact NE-OE2 2.9Å; R422-E462 VanDerWaalsContact NH2-CD 3.27Å; R422-E462 IonicContact NH2-OE1 2.74Å; R422-E462 PolarHBondContact NH2-OE1 2.78Å; R422-E462 IonicContact NH2-OE2 3.73Å; R422-E462 PolarHBondContact NH2-OE2 3.27Å |
| 423 | D | 97.5 | Very high | 96.5 | Very high | 20 Ų | 20 | 34 Ų | 34 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | trans | -57.7 | 152.2 | 174.5 | -164.4 | -80.3 | 0 | 0 | 0 | 110.7 | R387 L420 S425 V428 R429 | R387-D423 IonicContact CZ-OD1 3.78Å; R387-D423 IonicContact CZ-OD2 2.82Å; R387-D423 IonicContact NE-OD1 2.68Å; R387-D423 IonicContact NE-OD2 3.76Å; R387-D423 PolarHBondContact NE-OD2 3Å; R387-D423 IonicContact NH2-OD1 2.75Å; R387-D423 PolarHBondContact NH2-OD1 3.46Å; R387-D423 IonicContact NH2-OD2 3.27Å; R387-D423 PolarHBondContact NH2-OD2 3.01Å; L420-D423 HydrophobicContact CD2-CB 4.41Å; L420-D423 WeakPolarHBondContact CD2-OD2 3.35Å; L420-D423 VanDerWaalsContact O-CB 3.27Å; L420-D423 WeakPolarHBondContact O-CB 3.25Å; L420-D423 PolarHBondContact O-N 2.96Å; D423-S425 VanDerWaalsContact C-N 3.3Å; D423-S425 PolarHBondContact O-N 3.12Å; D423-S425 PolarHBondContact OD1-N 2.93Å; D423-V428 HydrophobicContact CB-CB 3.89Å; D423-V428 HydrophobicContact CB-CG1 3.66Å; D423-R429 HydrophobicContact CB-CG 4.15Å; D423-R429 WeakPolarHBondContact O-CD 3.33Å; D423-R429 WeakPolarHBondContact O-CG 3.41Å; D423-R429 PolarHBondContact O-NH1 2.86Å | ||
| 424 | E | 96.2 | Very high | 96.5 | Very high | 150 Ų | 150 | 35.2 Ų | 35.2 | 70% | 0.701 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -65.3 | -34 | 178.1 | 65.6 | -170.2 | 165.8 | 0 | 0 | 112.5 | R387 R429 | R387-E424 IonicContact CZ-OE1 3.34Å; R387-E424 IonicContact NH2-OE1 2.72Å; R387-E424 PolarHBondContact NH2-OE1 2.86Å; R387-E424 VanDerWaalsContact NH2-OE1 3.11Å; E424-R429 PolarHBondContact O-NH1 3.28Å |
| 425 | S | 95.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -84.1 | 124.7 | -177.2 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | D423 A427 V428 R429 | D423-S425 VanDerWaalsContact C-N 3.3Å; D423-S425 PolarHBondContact O-N 3.12Å; D423-S425 PolarHBondContact OD1-N 2.93Å; S425-A427 PolarHBondContact O-N 2.83Å; S425-A427 WeakPolarHBondContact OG-CB 3.26Å; S425-A427 PolarHBondContact OG-N 3.15Å; S425-V428 PolarHBondContact O-N 2.93Å; S425-R429 PolarHBondContact O-N 2.96Å; S425-R429 VanDerWaalsContact O-N 3.11Å |
| 426 | P | 94.4 | Very high | 96.8 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 25% | 0.253 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58.7 | -24.3 | 170.5 | -19.9 | 30.3 | 0 | 0 | 0 | 113 | D430 R469 | P426-D430 WeakPolarHBondContact O-CB 3.38Å; P426-D430 PolarHBondContact O-N 3.44Å; P426-R469 PolarHBondContact O-NH2 3.44Å |
| 427 | A | 93.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.1 | -49.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | W384 D388 S425 R429 D430 T431 R469 | W384-A427 HydrophobicContact CE3-CB 3.73Å; W384-A427 HydrophobicContact CH2-CB 4.2Å; W384-A427 HydrophobicContact CZ3-CB 3.42Å; W384-A427 VanDerWaalsContact CZ3-CB 3.42Å; D388-A427 VanDerWaalsContact OD1-C 3.31Å; D388-A427 VanDerWaalsContact OD1-O 3.07Å; S425-A427 PolarHBondContact O-N 2.83Å; S425-A427 WeakPolarHBondContact OG-CB 3.26Å; S425-A427 PolarHBondContact OG-N 3.15Å; A427-R429 VanDerWaalsContact C-N 3.33Å; A427-R429 PolarHBondContact O-N 2.78Å; A427-D430 WeakPolarHBondContact O-CB 3.5Å; A427-D430 PolarHBondContact O-N 3.34Å; A427-T431 PolarHBondContact O-N 3.32Å; A427-T431 PolarHBondContact O-OG1 3.1Å; A427-R469 VanDerWaalsContact CB-NH2 3.34Å |
| 428 | V | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | W384 R387 D388 L420 D423 S425 D430 T431 V432 | W384-V428 HydrophobicContact CB-CG2 4.03Å; R387-V428 HydrophobicContact CB-CG1 4.4Å; R387-V428 HydrophobicContact CB-CG2 3.97Å; D388-V428 HydrophobicContact CB-CG2 4.01Å; L420-V428 HydrophobicContact CB-CG1 4.37Å; L420-V428 HydrophobicContact CD2-CG1 4.26Å; D423-V428 HydrophobicContact CB-CB 3.89Å; D423-V428 HydrophobicContact CB-CG1 3.66Å; S425-V428 PolarHBondContact O-N 2.93Å; V428-D430 VanDerWaalsContact C-N 3.31Å; V428-D430 PolarHBondContact O-N 2.99Å; V428-T431 PolarHBondContact O-N 3.19Å; V428-V432 HydrophobicContact CG1-CG2 4.07Å; V428-V432 VanDerWaalsContact O-CB 3.32Å; V428-V432 WeakPolarHBondContact O-CB 3.42Å; V428-V432 WeakPolarHBondContact O-CG2 3.49Å; V428-V432 PolarHBondContact O-N 3.35Å |
| 429 | R | 97.6 | Very high | 96.9 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 10% | 0.098 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -38.3 | 178.8 | -66 | -165.4 | -57.9 | -83.6 | 3.2 | 113.1 | L421 D423 E424 S425 A427 V432 A433 E467 V470 | L421-R429 WeakPolarHBondContact O-CD 3.36Å; D423-R429 HydrophobicContact CB-CG 4.15Å; D423-R429 WeakPolarHBondContact O-CD 3.33Å; D423-R429 WeakPolarHBondContact O-CG 3.41Å; D423-R429 PolarHBondContact O-NH1 2.86Å; E424-R429 PolarHBondContact O-NH1 3.28Å; S425-R429 PolarHBondContact O-N 2.96Å; S425-R429 VanDerWaalsContact O-N 3.11Å; A427-R429 VanDerWaalsContact C-N 3.33Å; A427-R429 PolarHBondContact O-N 2.78Å; R429-V432 PolarHBondContact O-N 2.99Å; R429-A433 WeakPolarHBondContact O-CB 3.49Å; R429-A433 PolarHBondContact O-N 2.55Å; R429-E467 IonicContact CZ-OE2 2.82Å; R429-E467 IonicContact NE-OE2 2.66Å; R429-E467 IonicContact NH2-OE1 2.64Å; R429-E467 PolarHBondContact NH2-OE1 2.94Å; R429-E467 IonicContact NH2-OE2 3.11Å; R429-E467 PolarHBondContact NH2-OE2 3.42Å; R429-V470 HydrophobicContact CB-CG1 3.97Å; R429-V470 HydrophobicContact CB-CG2 4.08Å |
| 430 | D | 95.7 | Very high | 96.9 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 14% | 0.144 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.5 | -53.6 | 178.1 | -167.7 | 13.4 | 0 | 0 | 0 | 111.1 | P426 A427 V428 V432 A433 W434 R469 V470 N473 | P426-D430 WeakPolarHBondContact O-CB 3.38Å; P426-D430 PolarHBondContact O-N 3.44Å; A427-D430 WeakPolarHBondContact O-CB 3.5Å; A427-D430 PolarHBondContact O-N 3.34Å; V428-D430 VanDerWaalsContact C-N 3.31Å; V428-D430 PolarHBondContact O-N 2.99Å; D430-V432 VanDerWaalsContact C-N 3.3Å; D430-V432 PolarHBondContact O-N 3.12Å; D430-A433 PolarHBondContact O-N 3.37Å; D430-A433 VanDerWaalsContact O-N 3.15Å; D430-W434 PolarHBondContact O-N 2.95Å; D430-R469 HydrophobicContact CB-CG 4.44Å; D430-R469 WeakPolarHBondContact OD2-CD 3.46Å; D430-R469 WeakPolarHBondContact OD2-CG 3.45Å; D430-R469 IonicContact OD2-NE 2.89Å; D430-R469 PolarHBondContact OD2-NE 3.4Å; D430-V470 HydrophobicContact CB-CG2 4.02Å; D430-N473 PolarHBondContact OD1-ND2 2.96Å |
| 431 | T | 96.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -34.1 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | D388 V391 M392 A427 V428 T435 | D388-T431 WeakPolarHBondContact OD1-CB 3.39Å; D388-T431 PolarHBondContact OD1-OG1 2.92Å; V391-T431 HydrophobicContact CB-CG2 3.96Å; V391-T431 HydrophobicContact CG1-CG2 3.83Å; M392-T431 HydrophobicContact CB-CG2 3.77Å; M392-T431 HydrophobicContact CE-CG2 3.84Å; M392-T431 HydrophobicContact SD-CG2 4.35Å; A427-T431 PolarHBondContact O-N 3.32Å; A427-T431 PolarHBondContact O-OG1 3.1Å; V428-T431 PolarHBondContact O-N 3.19Å; T431-T435 WeakPolarHBondContact O-CB 3.34Å; T431-T435 PolarHBondContact O-N 2.99Å; T431-T435 PolarHBondContact O-OG1 3.29Å |
| 432 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -44.4 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | V391 I417 L420 L421 V428 R429 D430 W434 T435 I436 | V391-V432 HydrophobicContact CB-CG2 4.41Å; V391-V432 HydrophobicContact CG1-CB 4.4Å; V391-V432 HydrophobicContact CG1-CG2 3.78Å; V391-V432 HydrophobicContact CG2-CG2 3.9Å; I417-V432 HydrophobicContact CG2-CG1 4.01Å; I417-V432 VanDerWaalsContact O-CG1 3.24Å; I417-V432 WeakPolarHBondContact O-CG1 3.41Å; L420-V432 HydrophobicContact CB-CG1 4.34Å; L420-V432 HydrophobicContact CB-CG2 3.48Å; L420-V432 VanDerWaalsContact CB-CG2 3.48Å; L420-V432 HydrophobicContact CD1-CG2 4.34Å; L421-V432 HydrophobicContact CB-CG1 4.46Å; L421-V432 HydrophobicContact CD2-CG1 3.77Å; L421-V432 HydrophobicContact CG-CG1 3.74Å; V428-V432 HydrophobicContact CG1-CG2 4.07Å; V428-V432 VanDerWaalsContact O-CB 3.32Å; V428-V432 WeakPolarHBondContact O-CB 3.42Å; V428-V432 WeakPolarHBondContact O-CG2 3.49Å; V428-V432 PolarHBondContact O-N 3.35Å; R429-V432 PolarHBondContact O-N 2.99Å; D430-V432 VanDerWaalsContact C-N 3.3Å; D430-V432 PolarHBondContact O-N 3.12Å; V432-W434 VanDerWaalsContact C-N 3.33Å; V432-W434 PolarHBondContact O-N 2.93Å; V432-T435 PolarHBondContact O-N 3.25Å; V432-I436 HydrophobicContact CG1-CD1 3.94Å; V432-I436 HydrophobicContact CG1-CG1 4.48Å; V432-I436 WeakPolarHBondContact O-CG1 3.44Å; V432-I436 PolarHBondContact O-N 2.89Å |
| 433 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L421 R429 D430 I436 G437 N473 V474 | L421-A433 HydrophobicContact CD2-CB 4.46Å; R429-A433 WeakPolarHBondContact O-CB 3.49Å; R429-A433 PolarHBondContact O-N 2.55Å; D430-A433 PolarHBondContact O-N 3.37Å; D430-A433 VanDerWaalsContact O-N 3.15Å; A433-I436 PolarHBondContact O-N 3.37Å; A433-G437 PolarHBondContact O-N 3.16Å; A433-N473 HydrophobicContact CB-CB 3.76Å; A433-V474 HydrophobicContact CB-CG2 3.71Å |
| 434 | W | 97.5 | Very high | 96.4 | Very high | 47 Ų | 47 | 25.2 Ų | 25.2 | 18% | 0.178 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 172 | 177.3 | 81.8 | 0 | 0 | 0 | 112.3 | M357 M392 D430 V432 I436 G437 R438 W476 | M357-W434 HydrophobicContact CE-CZ2 4.2Å; M357-W434 HydrophobicContact SD-CH2 4Å; M357-W434 HydrophobicContact SD-CZ2 3.93Å; M392-W434 HydrophobicContact SD-CE3 4.33Å; M392-W434 HydrophobicContact SD-CH2 4.42Å; M392-W434 HydrophobicContact SD-CZ3 3.91Å; D430-W434 PolarHBondContact O-N 2.95Å; V432-W434 VanDerWaalsContact C-N 3.33Å; V432-W434 PolarHBondContact O-N 2.93Å; W434-I436 VanDerWaalsContact C-N 3.29Å; W434-I436 PolarHBondContact O-N 2.99Å; W434-G437 PolarHBondContact O-N 3.07Å; W434-G437 VanDerWaalsContact O-N 3.15Å; W434-R438 HydrophobicContact CD2-CG 4.27Å; W434-R438 HydrophobicContact CH2-CG 4.19Å; W434-R438 HydrophobicContact CZ2-CG 3.8Å; W434-R438 PolarHBondContact O-N 3.14Å; W434-W476 WeakPolarHBondContact O-CZ3 3.13Å |
| 435 | T | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.4 | -38.6 | 178.2 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | V391 F394 L398 I417 T431 V432 R438 V439 | V391-T435 HydrophobicContact CG1-CG2 4.29Å; V391-T435 VanDerWaalsContact CG1-OG1 3.28Å; V391-T435 WeakPolarHBondContact CG1-OG1 3.23Å; V391-T435 PolarHBondContact O-OG1 2.93Å; F394-T435 HydrophobicContact CD1-CG2 3.86Å; F394-T435 HydrophobicContact CE1-CG2 4.43Å; L398-T435 HydrophobicContact CD1-CG2 4.39Å; I417-T435 HydrophobicContact CD1-CG2 4.32Å; T431-T435 WeakPolarHBondContact O-CB 3.34Å; T431-T435 PolarHBondContact O-N 2.99Å; T431-T435 PolarHBondContact O-OG1 3.29Å; V432-T435 PolarHBondContact O-N 3.25Å; T435-R438 PolarHBondContact O-N 2.72Å; T435-V439 WeakPolarHBondContact O-CG2 3.38Å; T435-V439 PolarHBondContact O-N 2.86Å |
| 436 | I | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 174.9 | -75.1 | 170.5 | 0 | 0 | 0 | 111.2 | I417 L421 V432 A433 W434 R438 V439 C440 L456 L460 A477 | I417-I436 HydrophobicContact CG2-CD1 4Å; I417-I436 HydrophobicContact CG2-CG1 3.59Å; L421-I436 HydrophobicContact CD1-CD1 3.51Å; L421-I436 HydrophobicContact CD2-CD1 3.8Å; L421-I436 HydrophobicContact CG-CD1 3.61Å; V432-I436 HydrophobicContact CG1-CD1 3.94Å; V432-I436 HydrophobicContact CG1-CG1 4.48Å; V432-I436 WeakPolarHBondContact O-CG1 3.44Å; V432-I436 PolarHBondContact O-N 2.89Å; A433-I436 PolarHBondContact O-N 3.37Å; W434-I436 VanDerWaalsContact C-N 3.29Å; W434-I436 PolarHBondContact O-N 2.99Å; I436-R438 VanDerWaalsContact C-N 3.26Å; I436-R438 PolarHBondContact O-N 2.92Å; I436-V439 WeakPolarHBondContact O-CB 3.23Å; I436-V439 PolarHBondContact O-N 3.35Å; I436-V439 VanDerWaalsContact O-N 3.11Å; I436-C440 PolarHBondContact O-N 2.91Å; I436-C440 PolarHBondContact O-SG 2.87Å; I436-L456 HydrophobicContact CD1-CD1 3.86Å; I436-L456 HydrophobicContact CG1-CD1 4.29Å; I436-L456 HydrophobicContact CG2-CD1 3.65Å; I436-L460 HydrophobicContact CG2-CD1 4.35Å; I436-L460 HydrophobicContact CG2-CD2 4.17Å; I436-A477 HydrophobicContact CG2-CB 4.19Å |
| 437 | G | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A433 W434 C440 E441 | A433-G437 PolarHBondContact O-N 3.16Å; W434-G437 PolarHBondContact O-N 3.07Å; W434-G437 VanDerWaalsContact O-N 3.15Å; G437-C440 WeakPolarHBondContact O-CB 3.24Å; G437-C440 PolarHBondContact O-N 3.13Å; G437-E441 PolarHBondContact O-N 3.47Å |
| 438 | R | 96.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 21.2 Ų | 21.2 | 15% | 0.147 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 171.8 | -77.4 | -77.3 | 118.5 | 172.6 | -7.7 | 112.3 | L398 E399 W434 T435 I436 E441 T442 W476 | L398-R438 HydrophobicContact CD1-CB 3.84Å; E399-R438 IonicContact OE2-NH1 4Å; E399-R438 PolarHBondContact OE2-NH1 3Å; W434-R438 HydrophobicContact CD2-CG 4.27Å; W434-R438 HydrophobicContact CH2-CG 4.19Å; W434-R438 HydrophobicContact CZ2-CG 3.8Å; W434-R438 PolarHBondContact O-N 3.14Å; T435-R438 PolarHBondContact O-N 2.72Å; I436-R438 VanDerWaalsContact C-N 3.26Å; I436-R438 PolarHBondContact O-N 2.92Å; R438-E441 IonicContact CZ-OE2 2.69Å; R438-E441 IonicContact NE-OE2 3.66Å; R438-E441 PolarHBondContact NE-OE2 3.27Å; R438-E441 IonicContact NH1-OE2 3.68Å; R438-E441 IonicContact NH2-OE1 3.29Å; R438-E441 PolarHBondContact NH2-OE1 3.3Å; R438-E441 IonicContact NH2-OE2 3.35Å; R438-E441 PolarHBondContact NH2-OE2 3.11Å; R438-E441 PolarHBondContact O-N 3.07Å; R438-T442 WeakPolarHBondContact O-CB 3.46Å; R438-T442 WeakPolarHBondContact O-CG2 3.42Å; R438-T442 PolarHBondContact O-N 3.15Å; R438-T442 PolarHBondContact O-OG1 2.93Å; R438-W476 HydrophobicContact CG-CH2 3.94Å; R438-W476 HydrophobicContact CG-CZ3 4.33Å |
| 439 | V | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 173 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L398 V410 M414 T435 I436 E441 L443 A447 | L398-V439 HydrophobicContact CD1-CG2 3.55Å; V410-V439 HydrophobicContact CG1-CG1 3.75Å; V410-V439 HydrophobicContact CG1-CG2 3.85Å; M414-V439 HydrophobicContact SD-CG1 4.07Å; T435-V439 WeakPolarHBondContact O-CG2 3.38Å; T435-V439 PolarHBondContact O-N 2.86Å; I436-V439 WeakPolarHBondContact O-CB 3.23Å; I436-V439 PolarHBondContact O-N 3.35Å; I436-V439 VanDerWaalsContact O-N 3.11Å; V439-E441 VanDerWaalsContact C-N 3.3Å; V439-E441 PolarHBondContact O-N 3Å; V439-L443 CarbonylContact O-C 3.52Å; V439-L443 WeakPolarHBondContact O-CA 3.47Å; V439-L443 PolarHBondContact O-N 2.98Å; V439-A447 HydrophobicContact CG1-CB 4.36Å |
| 440 | C | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -39.7 | 176.9 | -66 | 0 | 0 | 0 | 0 | 111.9 | I436 G437 P444 L481 S484 | I436-C440 PolarHBondContact O-N 2.91Å; I436-C440 PolarHBondContact O-SG 2.87Å; G437-C440 WeakPolarHBondContact O-CB 3.24Å; G437-C440 PolarHBondContact O-N 3.13Å; C440-P444 VanDerWaalsContact O-CB 3.31Å; C440-P444 WeakPolarHBondContact O-CB 3.39Å; C440-L481 HydrophobicContact CB-CB 4.33Å; C440-S484 PolarHBondContact O-OG 3.38Å; C440-S484 VanDerWaalsContact O-OG 3.04Å |
| 441 | E | 94.7 | Very high | 95.8 | Very high | 92 Ų | 92 | 34.3 Ų | 34.3 | 43% | 0.43 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -75.1 | -45.4 | -179.6 | -175.9 | 177.8 | -174.7 | 0 | 0 | 113 | G437 R438 V439 W476 | G437-E441 PolarHBondContact O-N 3.47Å; R438-E441 IonicContact CZ-OE2 2.69Å; R438-E441 IonicContact NE-OE2 3.66Å; R438-E441 PolarHBondContact NE-OE2 3.27Å; R438-E441 IonicContact NH1-OE2 3.68Å; R438-E441 IonicContact NH2-OE1 3.29Å; R438-E441 PolarHBondContact NH2-OE1 3.3Å; R438-E441 IonicContact NH2-OE2 3.35Å; R438-E441 PolarHBondContact NH2-OE2 3.11Å; R438-E441 PolarHBondContact O-N 3.07Å; V439-E441 VanDerWaalsContact C-N 3.3Å; V439-E441 PolarHBondContact O-N 3Å; E441-W476 VanDerWaalsContact OE2-CZ2 3.3Å; E441-W476 WeakPolarHBondContact OE2-CZ2 3.25Å |
| 442 | T | 94.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 22% | 0.221 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -91.3 | -36.3 | -170.7 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | E399 R438 P444 | E399-T442 HydrophobicContact CB-CG2 4.46Å; R438-T442 WeakPolarHBondContact O-CB 3.46Å; R438-T442 WeakPolarHBondContact O-CG2 3.42Å; R438-T442 PolarHBondContact O-N 3.15Å; R438-T442 PolarHBondContact O-OG1 2.93Å; T442-P444 VanDerWaalsContact C-CD 3.43Å |
| 443 | L | 95.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -134.2 | 56.4 | -175.9 | -71.9 | 163.9 | 0 | 0 | 0 | 110.9 | P403 L406 K407 V410 V439 E445 V446 | P403-L443 HydrophobicContact CB-CD2 3.88Å; L406-L443 HydrophobicContact CB-CD1 3.82Å; K407-L443 HydrophobicContact CB-CD2 4.41Å; V410-L443 HydrophobicContact CB-CD1 4.23Å; V410-L443 HydrophobicContact CG2-CD1 3.51Å; V439-L443 CarbonylContact O-C 3.52Å; V439-L443 WeakPolarHBondContact O-CA 3.47Å; V439-L443 PolarHBondContact O-N 2.98Å; L443-E445 PolarHBondContact O-N 3.48Å; L443-E445 VanDerWaalsContact O-N 3.1Å; L443-V446 HydrophobicContact CB-CG2 4.38Å; L443-V446 PolarHBondContact O-N 3.25Å | ||
| 444 | P | 94.7 | Very high | 95.4 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 25% | 0.253 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.4 | -32.1 | -174.2 | 19.3 | -31.6 | 0 | 0 | 0 | 113.5 | C440 T442 V446 A447 L448 S484 | C440-P444 VanDerWaalsContact O-CB 3.31Å; C440-P444 WeakPolarHBondContact O-CB 3.39Å; T442-P444 VanDerWaalsContact C-CD 3.43Å; P444-V446 PolarHBondContact O-N 3.32Å; P444-V446 VanDerWaalsContact O-N 3.15Å; P444-A447 PolarHBondContact O-N 3.28Å; P444-A447 VanDerWaalsContact O-N 3.14Å; P444-L448 HydrophobicContact CB-CD1 4.18Å; P444-L448 WeakPolarHBondContact O-CB 3.48Å; P444-L448 WeakPolarHBondContact O-CG 3.09Å; P444-L448 PolarHBondContact O-N 3.42Å; P444-S484 VanDerWaalsContact CB-CB 3.48Å |
| 445 | E | 94 | Very high | 95.4 | Very high | 99 Ų | 99 | 40.4 Ų | 40.4 | 46% | 0.463 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.8 | -28.8 | 177 | 52.7 | 170.3 | -160.4 | 0 | 0 | 113.9 | K407 L443 H449 | K407-E445 WeakPolarHBondContact CD-OE1 3.37Å; K407-E445 WeakPolarHBondContact CE-OE1 3.33Å; K407-E445 IonicContact NZ-OE1 2.76Å; K407-E445 PolarHBondContact NZ-OE1 3.34Å; K407-E445 IonicContact NZ-OE2 2.76Å; K407-E445 PolarHBondContact NZ-OE2 3.25Å; L443-E445 PolarHBondContact O-N 3.48Å; L443-E445 VanDerWaalsContact O-N 3.1Å; E445-H449 PolarHBondContact O-N 3.21Å |
| 446 | V | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -78.8 | -45.4 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | K407 V410 E411 M414 L443 P444 L448 H449 Y452 | K407-V446 HydrophobicContact CG-CG2 3.89Å; V410-V446 HydrophobicContact CG1-CB 4.36Å; V410-V446 HydrophobicContact CG1-CG1 3.97Å; E411-V446 HydrophobicContact CG-CG1 3.87Å; E411-V446 HydrophobicContact CG-CG2 3.91Å; M414-V446 HydrophobicContact CG-CG1 3.59Å; M414-V446 HydrophobicContact SD-CG1 4.41Å; L443-V446 HydrophobicContact CB-CG2 4.38Å; L443-V446 PolarHBondContact O-N 3.25Å; P444-V446 PolarHBondContact O-N 3.32Å; P444-V446 VanDerWaalsContact O-N 3.15Å; V446-L448 VanDerWaalsContact C-N 3.33Å; V446-L448 PolarHBondContact O-N 3.05Å; V446-H449 WeakPolarHBondContact O-CB 3.44Å; V446-H449 PolarHBondContact O-N 3.18Å; V446-Y452 HydrophobicContact CG1-CD2 4.36Å; V446-Y452 HydrophobicContact CG1-CE2 4.35Å; V446-Y452 WeakPolarHBondContact O-CD2 3.44Å |
| 447 | A | 94.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -36.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V439 P444 H449 L456 L481 | V439-A447 HydrophobicContact CG1-CB 4.36Å; P444-A447 PolarHBondContact O-N 3.28Å; P444-A447 VanDerWaalsContact O-N 3.14Å; A447-H449 VanDerWaalsContact C-N 3.27Å; A447-H449 PolarHBondContact O-N 3.04Å; A447-L456 HydrophobicContact CB-CD2 4.04Å; A447-L481 HydrophobicContact CB-CD1 4.22Å |
| 448 | L | 94.5 | Very high | 95.3 | Very high | 21 Ų | 21 | 43.7 Ų | 43.7 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.4 | -179.9 | -59.7 | 173.4 | 0 | 0 | 0 | 113.2 | P444 V446 L481 A485 A488 I503 | P444-L448 HydrophobicContact CB-CD1 4.18Å; P444-L448 WeakPolarHBondContact O-CB 3.48Å; P444-L448 WeakPolarHBondContact O-CG 3.09Å; P444-L448 PolarHBondContact O-N 3.42Å; V446-L448 VanDerWaalsContact C-N 3.33Å; V446-L448 PolarHBondContact O-N 3.05Å; L448-L481 HydrophobicContact CD2-CD1 3.59Å; L448-L481 HydrophobicContact CG-CD1 4.45Å; L448-A485 HydrophobicContact CD1-CB 4.38Å; L448-A485 HydrophobicContact CD2-CB 3.77Å; L448-A488 HydrophobicContact CD1-CB 4.25Å; L448-I503 HydrophobicContact CD2-CG2 3.84Å; L448-I503 WeakPolarHBondContact O-CD1 3.49Å |
| 449 | H | 94.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 41.9 Ų | 41.9 | 45% | 0.454 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -70 | 134.9 | 178.9 | -168.3 | -86 | 0 | 0 | 0 | 111.5 | E445 V446 A447 A451 Y452 L453 | E445-H449 PolarHBondContact O-N 3.21Å; V446-H449 WeakPolarHBondContact O-CB 3.44Å; V446-H449 PolarHBondContact O-N 3.18Å; A447-H449 VanDerWaalsContact C-N 3.27Å; A447-H449 PolarHBondContact O-N 3.04Å; H449-A451 WeakPolarHBondContact ND1-CB 3.4Å; H449-A451 PolarHBondContact ND1-N 3.16Å; H449-A451 PolarHBondContact O-N 2.98Å; H449-Y452 HydrophobicContact CB-CD2 4.1Å; H449-Y452 PolarHBondContact O-N 3.24Å; H449-L453 PolarHBondContact O-N 2.97Å |
| 450 | E | 91.1 | Very high | 95.3 | Very high | 171 Ų | 171 | 41.9 Ų | 41.9 | 80% | 0.799 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -54.1 | -31.9 | -174.7 | -66.8 | -174.4 | 169.8 | 0 | 0 | 113.8 | Y452 | E450-Y452 VanDerWaalsContact C-N 3.28Å; E450-Y452 PolarHBondContact O-N 3.39Å |
| 451 | A | 93.1 | Very high | 95.3 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 50% | 0.496 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.4 | -27.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | H449 | H449-A451 WeakPolarHBondContact ND1-CB 3.4Å; H449-A451 PolarHBondContact ND1-N 3.16Å; H449-A451 PolarHBondContact O-N 2.98Å |
| 452 | Y | 94.4 | Very high | 95.4 | Very high | 52 Ų | 52 | 43 Ų | 43 | 20% | 0.204 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -114.2 | -26.1 | -173 | -52.6 | -50.1 | 0 | 0 | 0 | 112.9 | E411 M414 P415 V446 H449 E450 V454 P455 L456 | E411-Y452 PolarHBondContact O-OH 2.93Å; M414-Y452 HydrophobicContact CB-CD1 4.16Å; M414-Y452 HydrophobicContact CB-CD2 4.26Å; M414-Y452 HydrophobicContact CB-CE1 4.23Å; M414-Y452 HydrophobicContact CB-CE2 4.31Å; M414-Y452 HydrophobicContact CB-CG 4.18Å; M414-Y452 HydrophobicContact CG-CD2 4.28Å; M414-Y452 HydrophobicContact CG-CE2 4.45Å; P415-Y452 HydrophobicContact CG-CE1 4.08Å; V446-Y452 HydrophobicContact CG1-CD2 4.36Å; V446-Y452 HydrophobicContact CG1-CE2 4.35Å; V446-Y452 WeakPolarHBondContact O-CD2 3.44Å; H449-Y452 HydrophobicContact CB-CD2 4.1Å; H449-Y452 PolarHBondContact O-N 3.24Å; E450-Y452 VanDerWaalsContact C-N 3.28Å; E450-Y452 PolarHBondContact O-N 3.39Å; Y452-V454 PolarHBondContact O-N 2.84Å; Y452-P455 VanDerWaalsContact O-CD 3.26Å; Y452-P455 WeakPolarHBondContact O-CD 3.38Å; Y452-L456 WeakPolarHBondContact O-CB 3.25Å; Y452-L456 PolarHBondContact O-N 2.96Å |
| 453 | L | 94.7 | Very high | 95.5 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.7 | -50.7 | -172.4 | -178.1 | 69.5 | 0 | 0 | 0 | 113.3 | H449 L456 L457 I503 L504 Y507 | H449-L453 PolarHBondContact O-N 2.97Å; L453-L456 PolarHBondContact O-N 3.35Å; L453-L457 HydrophobicContact CD1-CD1 3.88Å; L453-L457 HydrophobicContact CD1-CG 4.01Å; L453-L457 HydrophobicContact CD2-CD1 4.47Å; L453-L457 HydrophobicContact CG-CD1 3.85Å; L453-L457 HydrophobicContact CG-CG 4.3Å; L453-L457 WeakPolarHBondContact O-CB 3.48Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.2Å; L453-L457 PolarHBondContact O-N 3.05Å; L453-I503 HydrophobicContact CD2-CD1 3.6Å; L453-I503 HydrophobicContact CD2-CG1 3.53Å; L453-L504 HydrophobicContact CD1-CD2 4.26Å; L453-Y507 HydrophobicContact CD2-CE2 4.08Å |
| 454 | V | 95.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 42% | 0.424 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.6 | -49.9 | -177.2 | 176 | 0 | 0 | 0 | 0 | 111.9 | Y452 L456 T458 Y507 | Y452-V454 PolarHBondContact O-N 2.84Å; V454-L456 VanDerWaalsContact C-N 3.3Å; V454-L456 PolarHBondContact O-N 2.98Å; V454-T458 WeakPolarHBondContact O-CB 3.46Å; V454-T458 PolarHBondContact O-N 3.5Å; V454-T458 PolarHBondContact O-OG1 3.29Å; V454-Y507 VanDerWaalsContact CG2-OH 3.3Å; V454-Y507 WeakPolarHBondContact CG2-OH 3.49Å |
| 455 | P | 96.5 | Very high | 95.7 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.7 | -42.3 | 172.2 | -27.2 | 33.8 | 0 | 0 | 0 | 113.9 | I418 Y452 T458 G459 | I418-P455 HydrophobicContact CD1-CB 4.33Å; I418-P455 HydrophobicContact CG2-CB 3.92Å; Y452-P455 VanDerWaalsContact O-CD 3.26Å; Y452-P455 WeakPolarHBondContact O-CD 3.38Å; P455-T458 PolarHBondContact O-N 3.1Å; P455-G459 PolarHBondContact O-N 2.96Å |
| 456 | L | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -54.4 | 179.5 | 178 | 60.6 | 0 | 0 | 0 | 111.4 | M414 I418 I436 A447 Y452 L453 V454 T458 G459 L460 | M414-L456 HydrophobicContact CE-CD2 4.31Å; I418-L456 HydrophobicContact CD1-CB 4.12Å; I418-L456 HydrophobicContact CG1-CB 4.47Å; I418-L456 HydrophobicContact CG1-CD1 4.25Å; I436-L456 HydrophobicContact CD1-CD1 3.86Å; I436-L456 HydrophobicContact CG1-CD1 4.29Å; I436-L456 HydrophobicContact CG2-CD1 3.65Å; A447-L456 HydrophobicContact CB-CD2 4.04Å; Y452-L456 WeakPolarHBondContact O-CB 3.25Å; Y452-L456 PolarHBondContact O-N 2.96Å; L453-L456 PolarHBondContact O-N 3.35Å; V454-L456 VanDerWaalsContact C-N 3.3Å; V454-L456 PolarHBondContact O-N 2.98Å; L456-T458 VanDerWaalsContact C-N 3.26Å; L456-T458 PolarHBondContact O-N 3.08Å; L456-G459 PolarHBondContact O-N 3.29Å; L456-G459 VanDerWaalsContact O-N 3.16Å; L456-L460 HydrophobicContact CD1-CD1 4.07Å; L456-L460 HydrophobicContact CD1-CG 4.2Å; L456-L460 HydrophobicContact CG-CD1 4.09Å; L456-L460 WeakPolarHBondContact O-CG 3.47Å; L456-L460 PolarHBondContact O-N 3.11Å |
| 457 | L | 97.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.5 | -39.3 | 177.6 | -71.8 | 177.1 | 0 | 0 | 0 | 111.7 | L453 L460 V461 F478 L481 L504 Y507 I511 | L453-L457 HydrophobicContact CD1-CD1 3.88Å; L453-L457 HydrophobicContact CD1-CG 4.01Å; L453-L457 HydrophobicContact CD2-CD1 4.47Å; L453-L457 HydrophobicContact CG-CD1 3.85Å; L453-L457 HydrophobicContact CG-CG 4.3Å; L453-L457 WeakPolarHBondContact O-CB 3.48Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.2Å; L453-L457 PolarHBondContact O-N 3.05Å; L457-L460 PolarHBondContact O-N 3.13Å; L457-V461 WeakPolarHBondContact O-CB 3.3Å; L457-V461 VanDerWaalsContact O-CG2 3.28Å; L457-V461 WeakPolarHBondContact O-CG2 3.49Å; L457-V461 PolarHBondContact O-N 3.03Å; L457-F478 HydrophobicContact CD2-CE1 3.94Å; L457-L481 HydrophobicContact CD2-CD2 3.62Å; L457-L504 HydrophobicContact CD1-CD2 4.15Å; L457-L504 HydrophobicContact CD2-CD2 4.08Å; L457-Y507 HydrophobicContact CD1-CD1 4.22Å; L457-Y507 HydrophobicContact CD1-CD2 3.32Å; L457-Y507 HydrophobicContact CD1-CE2 3.67Å; L457-Y507 HydrophobicContact CD1-CG 3.62Å; L457-I511 HydrophobicContact CD2-CD1 4.17Å |
| 458 | T | 96.8 | Very high | 95.8 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63 | -47.9 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 111 | V454 P455 L456 V461 E462 | V454-T458 WeakPolarHBondContact O-CB 3.46Å; V454-T458 PolarHBondContact O-N 3.5Å; V454-T458 PolarHBondContact O-OG1 3.29Å; P455-T458 PolarHBondContact O-N 3.1Å; L456-T458 VanDerWaalsContact C-N 3.26Å; L456-T458 PolarHBondContact O-N 3.08Å; T458-V461 PolarHBondContact O-N 3.34Å; T458-E462 WeakPolarHBondContact CG2-OE1 3.28Å; T458-E462 WeakPolarHBondContact O-CG 3.38Å; T458-E462 PolarHBondContact O-N 3.33Å; T458-E462 VanDerWaalsContact O-N 3.07Å |
| 459 | G | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P455 L456 E462 G463 | P455-G459 PolarHBondContact O-N 2.96Å; L456-G459 PolarHBondContact O-N 3.29Å; L456-G459 VanDerWaalsContact O-N 3.16Å; G459-E462 PolarHBondContact O-N 3.02Å; G459-G463 PolarHBondContact O-N 3.36Å |
| 460 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -42.7 | 177.2 | -67.5 | 176.3 | 0 | 0 | 0 | 111.9 | L421 I436 L456 L457 E462 G463 L464 V474 A477 F478 L481 | L421-L460 HydrophobicContact CD1-CD2 4.44Å; I436-L460 HydrophobicContact CG2-CD1 4.35Å; I436-L460 HydrophobicContact CG2-CD2 4.17Å; L456-L460 HydrophobicContact CD1-CD1 4.07Å; L456-L460 HydrophobicContact CD1-CG 4.2Å; L456-L460 HydrophobicContact CG-CD1 4.09Å; L456-L460 WeakPolarHBondContact O-CG 3.47Å; L456-L460 PolarHBondContact O-N 3.11Å; L457-L460 PolarHBondContact O-N 3.13Å; L460-E462 VanDerWaalsContact C-N 3.31Å; L460-E462 PolarHBondContact O-N 2.94Å; L460-G463 PolarHBondContact O-N 3.28Å; L460-G463 VanDerWaalsContact O-N 3.12Å; L460-L464 PolarHBondContact O-N 2.9Å; L460-L464 VanDerWaalsContact O-N 3.14Å; L460-V474 HydrophobicContact CB-CG1 4.17Å; L460-V474 HydrophobicContact CD2-CG1 4.1Å; L460-V474 HydrophobicContact CD2-CG2 4.3Å; L460-V474 WeakPolarHBondContact O-CG1 3.39Å; L460-A477 HydrophobicContact CD2-CB 4.11Å; L460-F478 HydrophobicContact CB-CD2 4.32Å; L460-F478 HydrophobicContact CB-CE1 4.09Å; L460-F478 HydrophobicContact CB-CE2 3.53Å; L460-F478 HydrophobicContact CB-CZ 3.38Å; L460-F478 HydrophobicContact CD1-CE1 4.31Å; L460-F478 HydrophobicContact CD1-CZ 4.39Å; L460-L481 HydrophobicContact CD1-CD2 4.43Å |
| 461 | V | 97.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 16% | 0.164 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.9 | 165 | 0 | 0 | 0 | 0 | 111.7 | L457 T458 F478 R514 | L457-V461 WeakPolarHBondContact O-CB 3.3Å; L457-V461 VanDerWaalsContact O-CG2 3.28Å; L457-V461 WeakPolarHBondContact O-CG2 3.49Å; L457-V461 PolarHBondContact O-N 3.03Å; T458-V461 PolarHBondContact O-N 3.34Å; V461-F478 HydrophobicContact CG2-CZ 3.91Å; V461-R514 HydrophobicContact CG1-CG 3.98Å |
| 462 | E | 96.6 | Very high | 96.4 | Very high | 89 Ų | 89 | 31.5 Ų | 31.5 | 42% | 0.416 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64 | -43.3 | 173.5 | -72 | 169.9 | -158.5 | 0 | 0 | 111.2 | R422 T458 G459 L460 L464 S465 | R422-E462 IonicContact CZ-OE1 2.92Å; R422-E462 IonicContact CZ-OE2 2.88Å; R422-E462 VanDerWaalsContact CZ-OE2 3.25Å; R422-E462 IonicContact NE-OE1 3.77Å; R422-E462 IonicContact NE-OE2 2.97Å; R422-E462 PolarHBondContact NE-OE2 2.9Å; R422-E462 VanDerWaalsContact NH2-CD 3.27Å; R422-E462 IonicContact NH2-OE1 2.74Å; R422-E462 PolarHBondContact NH2-OE1 2.78Å; R422-E462 IonicContact NH2-OE2 3.73Å; R422-E462 PolarHBondContact NH2-OE2 3.27Å; T458-E462 WeakPolarHBondContact CG2-OE1 3.28Å; T458-E462 WeakPolarHBondContact O-CG 3.38Å; T458-E462 PolarHBondContact O-N 3.33Å; T458-E462 VanDerWaalsContact O-N 3.07Å; G459-E462 PolarHBondContact O-N 3.02Å; L460-E462 VanDerWaalsContact C-N 3.31Å; L460-E462 PolarHBondContact O-N 2.94Å; E462-L464 VanDerWaalsContact C-N 3.28Å; E462-L464 PolarHBondContact O-N 3.2Å; E462-S465 PolarHBondContact O-N 3.25Å; E462-S465 VanDerWaalsContact O-N 3.08Å |
| 463 | G | 97.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -33.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G459 L460 S465 T466 | G459-G463 PolarHBondContact O-N 3.36Å; L460-G463 PolarHBondContact O-N 3.28Å; L460-G463 VanDerWaalsContact O-N 3.12Å; G463-S465 PolarHBondContact O-N 3Å; G463-S465 VanDerWaalsContact O-N 3.08Å; G463-T466 WeakPolarHBondContact O-CB 3.42Å; G463-T466 PolarHBondContact O-N 3.2Å; G463-T466 PolarHBondContact O-OG1 3.47Å |
| 464 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.7 | 176.3 | -72.6 | 175.8 | 0 | 0 | 0 | 113.9 | L460 E462 V474 C475 F478 R514 L515 T518 R521 | L460-L464 PolarHBondContact O-N 2.9Å; L460-L464 VanDerWaalsContact O-N 3.14Å; E462-L464 VanDerWaalsContact C-N 3.28Å; E462-L464 PolarHBondContact O-N 3.2Å; L464-V474 HydrophobicContact CD2-CB 4.37Å; L464-V474 HydrophobicContact CD2-CG1 3.65Å; L464-V474 HydrophobicContact CG-CG1 3.73Å; L464-C475 WeakPolarHBondContact CD2-SG 3.48Å; L464-F478 HydrophobicContact CD1-CD2 4.13Å; L464-F478 HydrophobicContact CD1-CE2 3.62Å; L464-F478 HydrophobicContact CD2-CD2 4.26Å; L464-F478 HydrophobicContact CD2-CE2 4.33Å; L464-F478 HydrophobicContact CG-CD2 4.31Å; L464-F478 HydrophobicContact CG-CE2 3.89Å; L464-R514 HydrophobicContact CD1-CB 3.7Å; L464-L515 HydrophobicContact CD1-CD2 4.05Å; L464-L515 HydrophobicContact CD1-CG 4.41Å; L464-L515 HydrophobicContact CD2-CD2 3.86Å; L464-T518 HydrophobicContact CD2-CG2 4.47Å; L464-R521 PolarHBondContact O-NH1 2.81Å |
| 465 | S | 96.3 | Very high | 96.8 | Very high | 81 Ų | 81 | 27.5 Ų | 27.5 | 57% | 0.566 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 2.8 | -179.8 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | E462 G463 | E462-S465 PolarHBondContact O-N 3.25Å; E462-S465 VanDerWaalsContact O-N 3.08Å; G463-S465 PolarHBondContact O-N 3Å; G463-S465 VanDerWaalsContact O-N 3.08Å |
| 466 | T | 96.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 28.2 Ų | 28.2 | 23% | 0.233 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -90.8 | -167.3 | -177.7 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | G463 V470 R521 | G463-T466 WeakPolarHBondContact O-CB 3.42Å; G463-T466 PolarHBondContact O-N 3.2Å; G463-T466 PolarHBondContact O-OG1 3.47Å; T466-V470 WeakPolarHBondContact OG1-CB 3.34Å; T466-V470 WeakPolarHBondContact OG1-CG1 3.21Å; T466-R521 VanDerWaalsContact O-CZ 3.23Å; T466-R521 PolarHBondContact O-NH1 3.33Å; T466-R521 PolarHBondContact O-NH2 2.95Å |
| 467 | E | 95 | Very high | 96.9 | Very high | 77 Ų | 77 | 28.2 Ų | 28.2 | 36% | 0.36 | 15% | 0.151 | S | C | . | . | trans | -54.2 | 146.2 | -179.6 | -61.1 | 85.4 | 166.4 | 0 | 0 | 111.7 | R429 R469 V470 A471 | R429-E467 IonicContact CZ-OE2 2.82Å; R429-E467 IonicContact NE-OE2 2.66Å; R429-E467 IonicContact NH2-OE1 2.64Å; R429-E467 PolarHBondContact NH2-OE1 2.94Å; R429-E467 IonicContact NH2-OE2 3.11Å; R429-E467 PolarHBondContact NH2-OE2 3.42Å; E467-R469 VanDerWaalsContact C-N 3.29Å; E467-R469 PolarHBondContact O-N 3.32Å; E467-R469 VanDerWaalsContact O-N 3.15Å; E467-V470 PolarHBondContact O-N 3.44Å; E467-V470 VanDerWaalsContact O-N 3.09Å; E467-A471 PolarHBondContact O-N 2.9Å | ||
| 468 | P | 95.4 | Very high | 97 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 8% | 0.078 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.4 | -36.2 | -170.1 | -26.8 | 34.3 | 0 | 0 | 0 | 115.1 | A471 A472 D523 Q526 H527 L529 | P468-A471 PolarHBondContact O-N 2.8Å; P468-A472 WeakPolarHBondContact O-CB 3.45Å; P468-A472 PolarHBondContact O-N 3.49Å; P468-D523 HydrophobicContact CG-CB 4.16Å; P468-D523 WeakPolarHBondContact CG-OD2 3.47Å; P468-Q526 HydrophobicContact CB-CB 4.03Å; P468-Q526 HydrophobicContact CG-CB 4.09Å; P468-H527 HydrophobicContact CB-CB 4.47Å; P468-L529 HydrophobicContact CB-CB 4.09Å; P468-L529 HydrophobicContact CB-CD2 3.95Å; P468-L529 HydrophobicContact CG-CD2 4.43Å |
| 469 | R | 93.4 | Very high | 97 | Very high | 58 Ų | 58 | 26 Ų | 26 | 22% | 0.219 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.5 | 72.7 | -177.3 | -154.4 | -177 | 2.6 | 113.3 | P426 A427 D430 E467 A472 N473 H527 | P426-R469 PolarHBondContact O-NH2 3.44Å; A427-R469 VanDerWaalsContact CB-NH2 3.34Å; D430-R469 HydrophobicContact CB-CG 4.44Å; D430-R469 WeakPolarHBondContact OD2-CD 3.46Å; D430-R469 WeakPolarHBondContact OD2-CG 3.45Å; D430-R469 IonicContact OD2-NE 2.89Å; D430-R469 PolarHBondContact OD2-NE 3.4Å; E467-R469 VanDerWaalsContact C-N 3.29Å; E467-R469 PolarHBondContact O-N 3.32Å; E467-R469 VanDerWaalsContact O-N 3.15Å; R469-A472 PolarHBondContact O-N 3.05Å; R469-N473 PolarHBondContact O-N 2.95Å; R469-H527 HydrophobicContact CB-CB 4.16Å |
| 470 | V | 96.8 | Very high | 97 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -47.2 | 177 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | R429 D430 T466 E467 A472 N473 V474 | R429-V470 HydrophobicContact CB-CG1 3.97Å; R429-V470 HydrophobicContact CB-CG2 4.08Å; D430-V470 HydrophobicContact CB-CG2 4.02Å; T466-V470 WeakPolarHBondContact OG1-CB 3.34Å; T466-V470 WeakPolarHBondContact OG1-CG1 3.21Å; E467-V470 PolarHBondContact O-N 3.44Å; E467-V470 VanDerWaalsContact O-N 3.09Å; V470-A472 VanDerWaalsContact C-N 3.28Å; V470-A472 PolarHBondContact O-N 3.14Å; V470-N473 PolarHBondContact O-N 3.25Å; V470-V474 HydrophobicContact CG1-CG2 4.3Å; V470-V474 VanDerWaalsContact O-CG2 3.24Å; V470-V474 WeakPolarHBondContact O-CG2 3.48Å; V470-V474 PolarHBondContact O-N 3.43Å |
| 471 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -32.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E467 P468 V474 C475 L529 | E467-A471 PolarHBondContact O-N 2.9Å; P468-A471 PolarHBondContact O-N 2.8Å; A471-V474 PolarHBondContact O-N 2.89Å; A471-C475 PolarHBondContact O-N 3.49Å; A471-C475 PolarHBondContact O-SG 3.38Å; A471-L529 HydrophobicContact CB-CD1 3.47Å; A471-L529 VanDerWaalsContact CB-CD1 3.47Å; A471-L529 HydrophobicContact CB-CD2 4.39Å |
| 472 | A | 97.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 12% | 0.116 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P468 R469 V470 V474 C475 W476 L529 A532 | P468-A472 WeakPolarHBondContact O-CB 3.45Å; P468-A472 PolarHBondContact O-N 3.49Å; R469-A472 PolarHBondContact O-N 3.05Å; V470-A472 VanDerWaalsContact C-N 3.28Å; V470-A472 PolarHBondContact O-N 3.14Å; A472-V474 VanDerWaalsContact C-N 3.33Å; A472-V474 PolarHBondContact O-N 3.43Å; A472-C475 WeakPolarHBondContact O-CB 3.29Å; A472-C475 PolarHBondContact O-N 3.45Å; A472-W476 PolarHBondContact O-N 3.08Å; A472-L529 HydrophobicContact CB-CD1 4.45Å; A472-A532 HydrophobicContact CB-CB 4.07Å |
| 473 | N | 97.4 | Very high | 96.9 | Very high | 44 Ų | 44 | 24 Ų | 24 | 24% | 0.235 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.2 | -32.5 | 174.9 | -85.7 | -28.4 | 0 | 0 | 0 | 112.8 | D430 A433 R469 V470 W476 A477 | D430-N473 PolarHBondContact OD1-ND2 2.96Å; A433-N473 HydrophobicContact CB-CB 3.76Å; R469-N473 PolarHBondContact O-N 2.95Å; V470-N473 PolarHBondContact O-N 3.25Å; N473-W476 PolarHBondContact O-N 2.9Å; N473-A477 WeakPolarHBondContact O-CB 3.31Å; N473-A477 PolarHBondContact O-N 3.39Å |
| 474 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 171.5 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | A433 L460 L464 V470 A471 A472 W476 A477 F478 | A433-V474 HydrophobicContact CB-CG2 3.71Å; L460-V474 HydrophobicContact CB-CG1 4.17Å; L460-V474 HydrophobicContact CD2-CG1 4.1Å; L460-V474 HydrophobicContact CD2-CG2 4.3Å; L460-V474 WeakPolarHBondContact O-CG1 3.39Å; L464-V474 HydrophobicContact CD2-CB 4.37Å; L464-V474 HydrophobicContact CD2-CG1 3.65Å; L464-V474 HydrophobicContact CG-CG1 3.73Å; V470-V474 HydrophobicContact CG1-CG2 4.3Å; V470-V474 VanDerWaalsContact O-CG2 3.24Å; V470-V474 WeakPolarHBondContact O-CG2 3.48Å; V470-V474 PolarHBondContact O-N 3.43Å; A471-V474 PolarHBondContact O-N 2.89Å; A472-V474 VanDerWaalsContact C-N 3.33Å; A472-V474 PolarHBondContact O-N 3.43Å; V474-W476 VanDerWaalsContact C-N 3.34Å; V474-A477 PolarHBondContact O-N 3.13Å; V474-F478 HydrophobicContact CG1-CD2 3.94Å; V474-F478 HydrophobicContact CG1-CE2 3.87Å; V474-F478 WeakPolarHBondContact O-CD2 3.44Å; V474-F478 PolarHBondContact O-N 2.85Å |
| 475 | C | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 173.1 | -72.7 | 0 | 0 | 0 | 0 | 111 | L464 A471 A472 A477 F478 S479 A532 A533 A536 | L464-C475 WeakPolarHBondContact CD2-SG 3.48Å; A471-C475 PolarHBondContact O-N 3.49Å; A471-C475 PolarHBondContact O-SG 3.38Å; A472-C475 WeakPolarHBondContact O-CB 3.29Å; A472-C475 PolarHBondContact O-N 3.45Å; C475-A477 PolarHBondContact O-N 3.02Å; C475-F478 PolarHBondContact O-N 2.99Å; C475-S479 PolarHBondContact O-N 3.33Å; C475-A532 HydrophobicContact CB-CB 3.82Å; C475-A532 WeakPolarHBondContact CB-O 3.2Å; C475-A533 VanDerWaalsContact SG-CA 3.56Å; C475-A536 HydrophobicContact CB-CB 3.93Å; C475-A536 WeakPolarHBondContact O-CB 3.25Å |
| 476 | W | 97.4 | Very high | 96.6 | Very high | 74 Ų | 74 | 22.7 Ų | 22.7 | 28% | 0.28 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 175.5 | 179.2 | 70.7 | 0 | 0 | 0 | 112.1 | W434 R438 E441 A472 N473 V474 F478 S479 S480 | W434-W476 WeakPolarHBondContact O-CZ3 3.13Å; R438-W476 HydrophobicContact CG-CH2 3.94Å; R438-W476 HydrophobicContact CG-CZ3 4.33Å; E441-W476 VanDerWaalsContact OE2-CZ2 3.3Å; E441-W476 WeakPolarHBondContact OE2-CZ2 3.25Å; A472-W476 PolarHBondContact O-N 3.08Å; N473-W476 PolarHBondContact O-N 2.9Å; V474-W476 VanDerWaalsContact C-N 3.34Å; W476-F478 VanDerWaalsContact C-N 3.3Å; W476-F478 PolarHBondContact O-N 3.35Å; W476-S479 WeakPolarHBondContact O-CA 3.47Å; W476-S479 VanDerWaalsContact O-CB 3.24Å; W476-S479 WeakPolarHBondContact O-CB 3.33Å; W476-S479 PolarHBondContact O-N 3.38Å; W476-S480 PolarHBondContact O-N 3.32Å; W476-S480 PolarHBondContact O-OG 3Å |
| 477 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.8 | -36.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I436 L460 N473 V474 C475 L481 | I436-A477 HydrophobicContact CG2-CB 4.19Å; L460-A477 HydrophobicContact CD2-CB 4.11Å; N473-A477 WeakPolarHBondContact O-CB 3.31Å; N473-A477 PolarHBondContact O-N 3.39Å; V474-A477 PolarHBondContact O-N 3.13Å; C475-A477 PolarHBondContact O-N 3.02Å; A477-L481 VanDerWaalsContact O-CB 3.24Å; A477-L481 WeakPolarHBondContact O-CB 3.48Å; A477-L481 PolarHBondContact O-N 3.28Å |
| 478 | F | 98 | Very high | 96.2 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.3 | -37.8 | 172.2 | -88.6 | -60.4 | 0 | 0 | 0 | 112.9 | L457 L460 V461 L464 V474 C475 W476 A482 I511 | L457-F478 HydrophobicContact CD2-CE1 3.94Å; L460-F478 HydrophobicContact CB-CD2 4.32Å; L460-F478 HydrophobicContact CB-CE1 4.09Å; L460-F478 HydrophobicContact CB-CE2 3.53Å; L460-F478 HydrophobicContact CB-CZ 3.38Å; L460-F478 HydrophobicContact CD1-CE1 4.31Å; L460-F478 HydrophobicContact CD1-CZ 4.39Å; V461-F478 HydrophobicContact CG2-CZ 3.91Å; L464-F478 HydrophobicContact CD1-CD2 4.13Å; L464-F478 HydrophobicContact CD1-CE2 3.62Å; L464-F478 HydrophobicContact CD2-CD2 4.26Å; L464-F478 HydrophobicContact CD2-CE2 4.33Å; L464-F478 HydrophobicContact CG-CD2 4.31Å; L464-F478 HydrophobicContact CG-CE2 3.89Å; V474-F478 HydrophobicContact CG1-CD2 3.94Å; V474-F478 HydrophobicContact CG1-CE2 3.87Å; V474-F478 WeakPolarHBondContact O-CD2 3.44Å; V474-F478 PolarHBondContact O-N 2.85Å; C475-F478 PolarHBondContact O-N 2.99Å; W476-F478 VanDerWaalsContact C-N 3.3Å; W476-F478 PolarHBondContact O-N 3.35Å; F478-A482 VanDerWaalsContact O-CB 3.27Å; F478-A482 WeakPolarHBondContact O-CB 3.4Å; F478-A482 PolarHBondContact O-N 2.93Å; F478-I511 HydrophobicContact CD1-CD1 4.42Å; F478-I511 HydrophobicContact CD1-CG2 3.78Å; F478-I511 HydrophobicContact CE1-CD1 4.03Å; F478-I511 HydrophobicContact CE1-CG1 3.89Å; F478-I511 HydrophobicContact CE1-CG2 3.85Å; F478-I511 HydrophobicContact CG-CG2 4.24Å; F478-I511 HydrophobicContact CZ-CG1 4.44Å; F478-I511 HydrophobicContact CZ-CG2 4.35Å |
| 479 | S | 97.2 | Very high | 96.1 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 11% | 0.112 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.8 | -55.4 | 175.1 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | C475 W476 L481 A482 E483 A539 | C475-S479 PolarHBondContact O-N 3.33Å; W476-S479 WeakPolarHBondContact O-CA 3.47Å; W476-S479 VanDerWaalsContact O-CB 3.24Å; W476-S479 WeakPolarHBondContact O-CB 3.33Å; W476-S479 PolarHBondContact O-N 3.38Å; S479-L481 VanDerWaalsContact C-N 3.35Å; S479-L481 PolarHBondContact O-N 3.11Å; S479-A482 PolarHBondContact O-N 3.28Å; S479-E483 PolarHBondContact O-N 2.97Å; S479-A539 WeakPolarHBondContact OG-CB 3.45Å |
| 480 | S | 97 | Very high | 95.9 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 6% | 0.063 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 179.5 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | W476 A482 E483 S484 | W476-S480 PolarHBondContact O-N 3.32Å; W476-S480 PolarHBondContact O-OG 3Å; S480-A482 VanDerWaalsContact C-N 3.32Å; S480-A482 PolarHBondContact O-N 2.94Å; S480-E483 PolarHBondContact O-N 2.95Å; S480-S484 WeakPolarHBondContact O-CB 3.08Å; S480-S484 PolarHBondContact O-N 2.6Å; S480-S484 PolarHBondContact O-OG 3.33Å |
| 481 | L | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 177.3 | -175 | 65.5 | 0 | 0 | 0 | 112.2 | C440 A447 L448 L457 L460 A477 S479 A485 L504 | C440-L481 HydrophobicContact CB-CB 4.33Å; A447-L481 HydrophobicContact CB-CD1 4.22Å; L448-L481 HydrophobicContact CD2-CD1 3.59Å; L448-L481 HydrophobicContact CG-CD1 4.45Å; L457-L481 HydrophobicContact CD2-CD2 3.62Å; L460-L481 HydrophobicContact CD1-CD2 4.43Å; A477-L481 VanDerWaalsContact O-CB 3.24Å; A477-L481 WeakPolarHBondContact O-CB 3.48Å; A477-L481 PolarHBondContact O-N 3.28Å; S479-L481 VanDerWaalsContact C-N 3.35Å; S479-L481 PolarHBondContact O-N 3.11Å; L481-A485 WeakPolarHBondContact O-CB 3.3Å; L481-A485 PolarHBondContact O-N 3.23Å; L481-L504 HydrophobicContact CD2-CD2 4.32Å; L481-L504 HydrophobicContact CG-CD1 4.33Å |
| 482 | A | 96.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.1 | -44.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F478 S479 S480 Y486 L504 L540 S543 | F478-A482 VanDerWaalsContact O-CB 3.27Å; F478-A482 WeakPolarHBondContact O-CB 3.4Å; F478-A482 PolarHBondContact O-N 2.93Å; S479-A482 PolarHBondContact O-N 3.28Å; S480-A482 VanDerWaalsContact C-N 3.32Å; S480-A482 PolarHBondContact O-N 2.94Å; A482-Y486 WeakPolarHBondContact O-CB 3.36Å; A482-Y486 PolarHBondContact O-N 3.25Å; A482-Y486 VanDerWaalsContact O-N 3.14Å; A482-L504 HydrophobicContact CB-CD1 4.39Å; A482-L540 HydrophobicContact CB-CD1 3.81Å; A482-S543 WeakPolarHBondContact O-CB 3.28Å; A482-S543 PolarHBondContact O-OG 3.39Å |
| 483 | E | 95.6 | Very high | 93 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.2 | -51.3 | 177 | -70.9 | 174.3 | 165.9 | 0 | 0 | 110.5 | S479 S480 A485 Y486 D487 A539 R542 | S479-E483 PolarHBondContact O-N 2.97Å; S480-E483 PolarHBondContact O-N 2.95Å; E483-A485 PolarHBondContact O-N 2.91Å; E483-Y486 WeakPolarHBondContact O-CB 3.42Å; E483-Y486 PolarHBondContact O-N 3.01Å; E483-Y486 VanDerWaalsContact O-N 3.08Å; E483-D487 PolarHBondContact O-N 3.23Å; E483-A539 HydrophobicContact CG-CB 4.31Å; E483-R542 IonicContact OE1-CZ 2.9Å; E483-R542 IonicContact OE1-NH2 2.82Å; E483-R542 PolarHBondContact OE1-NH2 2.89Å |
| 484 | S | 94.8 | Very high | 91.3 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -34.2 | 179.8 | -50.7 | 0 | 0 | 0 | 0 | 113.8 | C440 P444 S480 Y486 A488 | C440-S484 PolarHBondContact O-OG 3.38Å; C440-S484 VanDerWaalsContact O-OG 3.04Å; P444-S484 VanDerWaalsContact CB-CB 3.48Å; S480-S484 WeakPolarHBondContact O-CB 3.08Å; S480-S484 PolarHBondContact O-N 2.6Å; S480-S484 PolarHBondContact O-OG 3.33Å; S484-Y486 VanDerWaalsContact C-N 3.3Å; S484-Y486 PolarHBondContact O-N 3.28Å; S484-A488 WeakPolarHBondContact O-CB 3.48Å; S484-A488 PolarHBondContact O-N 3.12Å |
| 485 | A | 95.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L448 L481 E483 A489 Y502 I503 L504 | L448-A485 HydrophobicContact CD1-CB 4.38Å; L448-A485 HydrophobicContact CD2-CB 3.77Å; L481-A485 WeakPolarHBondContact O-CB 3.3Å; L481-A485 PolarHBondContact O-N 3.23Å; E483-A485 PolarHBondContact O-N 2.91Å; A485-A489 WeakPolarHBondContact O-CB 3.22Å; A485-A489 PolarHBondContact O-N 3.23Å; A485-Y502 HydrophobicContact CB-CD2 4.1Å; A485-Y502 HydrophobicContact CB-CE2 4.23Å; A485-I503 HydrophobicContact CB-CG2 4.14Å; A485-L504 HydrophobicContact CB-CD1 3.68Å; A485-L504 HydrophobicContact CB-CG 3.92Å |
| 486 | Y | 94.6 | Very high | 87 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.3 | -41.5 | 178.4 | -174.5 | -92.3 | 0 | 0 | 0 | 112.2 | A482 E483 S484 A489 S490 P499 Y502 S543 K599 | A482-Y486 WeakPolarHBondContact O-CB 3.36Å; A482-Y486 PolarHBondContact O-N 3.25Å; A482-Y486 VanDerWaalsContact O-N 3.14Å; E483-Y486 WeakPolarHBondContact O-CB 3.42Å; E483-Y486 PolarHBondContact O-N 3.01Å; E483-Y486 VanDerWaalsContact O-N 3.08Å; S484-Y486 VanDerWaalsContact C-N 3.3Å; S484-Y486 PolarHBondContact O-N 3.28Å; Y486-A489 PolarHBondContact O-N 3.34Å; Y486-S490 WeakPolarHBondContact CE1-OG 3.26Å; Y486-S490 WeakPolarHBondContact O-CB 3.31Å; Y486-S490 PolarHBondContact O-N 3.15Å; Y486-S490 PolarHBondContact O-OG 3.48Å; Y486-P499 HydrophobicContact CD2-CG 3.77Å; Y486-P499 VanDerWaalsContact CE2-CD 3.42Å; Y486-P499 HydrophobicContact CE2-CG 3.46Å; Y486-P499 VanDerWaalsContact CE2-CG 3.46Å; Y486-P499 WeakPolarHBondContact OH-CD 3.4Å; Y486-Y502 HydrophobicContact CD2-CD2 4.45Å; Y486-Y502 HydrophobicContact CD2-CE2 4.35Å; Y486-S543 VanDerWaalsContact CD2-O 3.23Å; Y486-S543 WeakPolarHBondContact CD2-O 3.39Å; Y486-K599 PolarHBondContact OH-NZ 3.23Å |
| 487 | D | 92.3 | Very high | 85.5 | Confident | 94 Ų | 94 | 56.1 Ų | 56.1 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 175.8 | -70.2 | -17.9 | 0 | 0 | 0 | 110.9 | E483 A489 S490 E491 | E483-D487 PolarHBondContact O-N 3.23Å; D487-A489 VanDerWaalsContact C-N 3.26Å; D487-A489 PolarHBondContact O-N 2.96Å; D487-S490 PolarHBondContact O-N 2.88Å; D487-E491 WeakPolarHBondContact O-CG 3.42Å; D487-E491 PolarHBondContact O-N 3.48Å |
| 488 | A | 91.4 | Very high | 84.7 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.8 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L448 S484 N492 | L448-A488 HydrophobicContact CD1-CB 4.25Å; S484-A488 WeakPolarHBondContact O-CB 3.48Å; S484-A488 PolarHBondContact O-N 3.12Å; A488-N492 PolarHBondContact O-ND2 3.09Å |
| 489 | A | 92.1 | Very high | 84.3 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -75.2 | -34.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A485 Y486 D487 N492 S493 P499 | A485-A489 WeakPolarHBondContact O-CB 3.22Å; A485-A489 PolarHBondContact O-N 3.23Å; Y486-A489 PolarHBondContact O-N 3.34Å; D487-A489 VanDerWaalsContact C-N 3.26Å; D487-A489 PolarHBondContact O-N 2.96Å; A489-N492 PolarHBondContact O-N 3.12Å; A489-S493 WeakPolarHBondContact O-CB 3.19Å; A489-S493 PolarHBondContact O-N 3.15Å; A489-S493 PolarHBondContact O-OG 2.97Å; A489-P499 HydrophobicContact CB-CB 3.83Å; A489-P499 HydrophobicContact CB-CG 4.11Å |
| 490 | S | 89.2 | Confident | 84.1 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70 | -40.2 | -179.2 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | Y486 D487 N492 S493 | Y486-S490 WeakPolarHBondContact CE1-OG 3.26Å; Y486-S490 WeakPolarHBondContact O-CB 3.31Å; Y486-S490 PolarHBondContact O-N 3.15Å; Y486-S490 PolarHBondContact O-OG 3.48Å; D487-S490 PolarHBondContact O-N 2.88Å; S490-N492 PolarHBondContact O-N 3.28Å; S490-S493 PolarHBondContact O-N 3.41Å; S490-S493 VanDerWaalsContact O-N 3.12Å |
| 491 | E | 84.1 | Confident | 83.9 | Confident | 165 Ų | 165 | 71.9 Ų | 71.9 | 77% | 0.771 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.1 | -36.5 | 174.2 | -71 | -176.3 | 170.1 | 0 | 0 | 112.5 | D487 | D487-E491 WeakPolarHBondContact O-CG 3.42Å; D487-E491 PolarHBondContact O-N 3.48Å |
| 492 | N | 77.6 | Confident | 83.8 | Confident | 144 Ų | 144 | 72.7 Ų | 72.7 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -78.6 | -18.6 | 178.7 | -74 | -53.6 | 0 | 0 | 0 | 113.8 | A488 A489 S490 G494 | A488-N492 PolarHBondContact O-ND2 3.09Å; A489-N492 PolarHBondContact O-N 3.12Å; S490-N492 PolarHBondContact O-N 3.28Å; N492-G494 VanDerWaalsContact C-N 3.34Å; N492-G494 PolarHBondContact O-N 2.91Å |
| 493 | S | 69.8 | Low | 83.7 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.6 | -170.9 | -64.4 | 0 | 0 | 0 | 0 | 114.5 | A489 S490 | A489-S493 WeakPolarHBondContact O-CB 3.19Å; A489-S493 PolarHBondContact O-N 3.15Å; A489-S493 PolarHBondContact O-OG 2.97Å; S490-S493 PolarHBondContact O-N 3.41Å; S490-S493 VanDerWaalsContact O-N 3.12Å |
| 494 | G | 61.1 | Low | 83.7 | Confident | 48 Ų | 48 | 72.4 Ų | 72.4 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | trans | 73 | 168.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N492 N496 | N492-G494 VanDerWaalsContact C-N 3.34Å; N492-G494 PolarHBondContact O-N 2.91Å; G494-N496 PolarHBondContact O-N 3.15Å | ||
| 495 | H | 54.6 | Low | 83.7 | Confident | 201 Ų | 201 | 72.4 Ų | 72.4 | 93% | 0.931 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -61.8 | 5 | -165 | -76 | -55.2 | 0 | 0 | 0 | 118.4 | ||
| 496 | N | 52.3 | Low | 83.7 | Confident | 159 Ų | 159 | 79.1 Ų | 79.1 | 85% | 0.85 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -138.4 | 92.2 | -174.3 | -74.5 | -23.3 | 0 | 0 | 0 | 112.9 | G494 | G494-N496 PolarHBondContact O-N 3.15Š|
| 497 | G | 66.3 | Low | 83.8 | Confident | 61 Ų | 61 | 80.3 Ų | 80.3 | 63% | 0.629 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 100.6 | 158.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 498 | E | 81.2 | Confident | 84 | Confident | 85 Ų | 85 | 75.9 Ų | 75.9 | 40% | 0.397 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -46.4 | 141.6 | -176.8 | -54.3 | -177.4 | 134.9 | 0 | 0 | 113.7 | Q546 K599 | E498-Q546 HydrophobicContact CB-CG 4.46Å; E498-Q546 PolarHBondContact O-NE2 2.93Å; E498-K599 IonicContact OE1-NZ 3.25Å; E498-K599 PolarHBondContact OE1-NZ 3.16Å |
| 499 | P | 90.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 41% | 0.412 | C | S | . | . | trans | -62.2 | 139.9 | -179.3 | 26.9 | -34 | 0 | 0 | 0 | 111.3 | Y486 A489 T501 A545 Q546 | Y486-P499 HydrophobicContact CD2-CG 3.77Å; Y486-P499 VanDerWaalsContact CE2-CD 3.42Å; Y486-P499 HydrophobicContact CE2-CG 3.46Å; Y486-P499 VanDerWaalsContact CE2-CG 3.46Å; Y486-P499 WeakPolarHBondContact OH-CD 3.4Å; A489-P499 HydrophobicContact CB-CB 3.83Å; A489-P499 HydrophobicContact CB-CG 4.11Å; P499-T501 VanDerWaalsContact C-N 3.32Å; P499-T501 PolarHBondContact O-N 3.38Å; P499-A545 HydrophobicContact CG-CB 4.33Å; P499-A545 WeakPolarHBondContact O-CA 3.11Å; P499-A545 WeakPolarHBondContact O-CB 3.39Å; P499-Q546 PolarHBondContact O-N 3.21Å | ||
| 500 | R | 91.4 | Very high | 84.4 | Confident | 198 Ų | 198 | 79.5 Ų | 79.5 | 75% | 0.747 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -66 | -36.1 | 178.6 | -72.5 | -175.6 | 177.4 | 178.1 | 0.6 | 112.9 | D547 | R500-D547 WeakPolarHBondContact O-CB 3.49Å; R500-D547 PolarHBondContact O-N 3.05Å; R500-D547 VanDerWaalsContact O-N 3.08Å |
| 501 | T | 94 | Very high | 84.8 | Confident | 79 Ų | 79 | 77.8 Ų | 77.8 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | trans | -157.3 | 161.6 | -179.5 | -170.5 | 0 | 0 | 0 | 0 | 107.7 | P499 S505 D547 | P499-T501 VanDerWaalsContact C-N 3.32Å; P499-T501 PolarHBondContact O-N 3.38Å; T501-S505 PolarHBondContact OG1-OG 2.86Å; T501-D547 WeakPolarHBondContact CB-OD2 3.43Å; T501-D547 PolarHBondContact OG1-OD2 3.23Å | ||
| 502 | Y | 94.6 | Very high | 85.4 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 7% | 0.071 | 38% | 0.376 | C | S | . | . | trans | -149.7 | 179.5 | 172.5 | 70.2 | -11.7 | 0 | 0 | 0 | 110.9 | A485 Y486 L504 S505 F508 S543 A545 | A485-Y502 HydrophobicContact CB-CD2 4.1Å; A485-Y502 HydrophobicContact CB-CE2 4.23Å; Y486-Y502 HydrophobicContact CD2-CD2 4.45Å; Y486-Y502 HydrophobicContact CD2-CE2 4.35Å; Y502-L504 HydrophobicContact CD1-CB 4.11Å; Y502-L504 HydrophobicContact CE1-CB 3.6Å; Y502-L504 HydrophobicContact CE2-CB 4.31Å; Y502-L504 PolarHBondContact O-N 3.16Å; Y502-L504 VanDerWaalsContact O-N 3.12Å; Y502-S505 VanDerWaalsContact CD1-N 3.29Å; Y502-S505 WeakPolarHBondContact CD1-OG 3.5Å; Y502-S505 VanDerWaalsContact CE1-N 3.3Å; Y502-S505 PolarHBondContact N-OG 3.06Å; Y502-S505 VanDerWaalsContact N-OG 3.14Å; Y502-S505 WeakPolarHBondContact O-CB 3.41Å; Y502-S505 PolarHBondContact O-N 3.05Å; Y502-S505 PolarHBondContact O-OG 3.29Å; Y502-F508 HydrophobicContact CE1-CD2 4.29Å; Y502-F508 VanDerWaalsContact OH-CD2 3.24Å; Y502-F508 WeakPolarHBondContact OH-CD2 3.5Å; Y502-F508 VanDerWaalsContact OH-CE2 3.28Å; Y502-F508 WeakPolarHBondContact OH-CE2 3.21Å; Y502-S543 WeakPolarHBondContact CE2-O 3.28Å; Y502-S543 VanDerWaalsContact CZ-O 3.26Å; Y502-S543 PolarHBondContact OH-O 3.35Å; Y502-A545 HydrophobicContact CD1-CB 4.1Å; Y502-A545 HydrophobicContact CE1-CB 4.37Å; Y502-A545 HydrophobicContact CG-CB 4.36Å | ||
| 503 | I | 94.4 | Very high | 86.3 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 30% | 0.303 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.3 | -171.6 | -156.2 | 174 | 0 | 0 | 0 | 113.9 | L448 L453 A485 | L448-I503 HydrophobicContact CD2-CG2 3.84Å; L448-I503 WeakPolarHBondContact O-CD1 3.49Å; L453-I503 HydrophobicContact CD2-CD1 3.6Å; L453-I503 HydrophobicContact CD2-CG1 3.53Å; A485-I503 HydrophobicContact CB-CG2 4.14Å |
| 504 | L | 95.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -9 | 177.3 | -60.7 | 179.6 | 0 | 0 | 0 | 113.9 | L453 L457 L481 A482 A485 Y502 Q506 Y507 F508 | L453-L504 HydrophobicContact CD1-CD2 4.26Å; L457-L504 HydrophobicContact CD1-CD2 4.15Å; L457-L504 HydrophobicContact CD2-CD2 4.08Å; L481-L504 HydrophobicContact CD2-CD2 4.32Å; L481-L504 HydrophobicContact CG-CD1 4.33Å; A482-L504 HydrophobicContact CB-CD1 4.39Å; A485-L504 HydrophobicContact CB-CD1 3.68Å; A485-L504 HydrophobicContact CB-CG 3.92Å; Y502-L504 HydrophobicContact CD1-CB 4.11Å; Y502-L504 HydrophobicContact CE1-CB 3.6Å; Y502-L504 HydrophobicContact CE2-CB 4.31Å; Y502-L504 PolarHBondContact O-N 3.16Å; Y502-L504 VanDerWaalsContact O-N 3.12Å; L504-Q506 VanDerWaalsContact C-N 3.28Å; L504-Q506 PolarHBondContact O-N 2.88Å; L504-Y507 CarbonylContact O-C 3.31Å; L504-Y507 WeakPolarHBondContact O-CA 3.44Å; L504-Y507 PolarHBondContact O-N 3.16Å; L504-F508 PolarHBondContact O-N 3.2Å |
| 505 | S | 96.1 | Very high | 89.4 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -42.7 | -172.4 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | T501 Y502 Y507 F508 D547 | T501-S505 PolarHBondContact OG1-OG 2.86Å; Y502-S505 VanDerWaalsContact CD1-N 3.29Å; Y502-S505 WeakPolarHBondContact CD1-OG 3.5Å; Y502-S505 VanDerWaalsContact CE1-N 3.3Å; Y502-S505 PolarHBondContact N-OG 3.06Å; Y502-S505 VanDerWaalsContact N-OG 3.14Å; Y502-S505 WeakPolarHBondContact O-CB 3.41Å; Y502-S505 PolarHBondContact O-N 3.05Å; Y502-S505 PolarHBondContact O-OG 3.29Å; S505-Y507 PolarHBondContact O-N 2.93Å; S505-F508 WeakPolarHBondContact O-CB 3.31Å; S505-F508 PolarHBondContact O-N 3.09Å; S505-D547 WeakPolarHBondContact CB-OD1 3.09Å; S505-D547 WeakPolarHBondContact CB-OD2 3.42Å; S505-D547 VanDerWaalsContact OG-CG 3.23Å; S505-D547 PolarHBondContact OG-OD1 2.89Å; S505-D547 PolarHBondContact OG-OD2 3.32Å |
| 506 | Q | 95.4 | Very high | 91.4 | Very high | 143 Ų | 143 | 59.7 Ų | 59.7 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -17.2 | 179.8 | 67.4 | -176 | -11.9 | 0 | 0 | 114.3 | L504 | L504-Q506 VanDerWaalsContact C-N 3.28Å; L504-Q506 PolarHBondContact O-N 2.88Å |
| 507 | Y | 96 | Very high | 93.5 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -9.8 | 179.7 | -52.7 | -66.3 | 0 | 0 | 0 | 112.4 | L453 V454 L457 L504 S505 N509 V510 I511 | L453-Y507 HydrophobicContact CD2-CE2 4.08Å; V454-Y507 VanDerWaalsContact CG2-OH 3.3Å; V454-Y507 WeakPolarHBondContact CG2-OH 3.49Å; L457-Y507 HydrophobicContact CD1-CD1 4.22Å; L457-Y507 HydrophobicContact CD1-CD2 3.32Å; L457-Y507 HydrophobicContact CD1-CE2 3.67Å; L457-Y507 HydrophobicContact CD1-CG 3.62Å; L504-Y507 CarbonylContact O-C 3.31Å; L504-Y507 WeakPolarHBondContact O-CA 3.44Å; L504-Y507 PolarHBondContact O-N 3.16Å; S505-Y507 PolarHBondContact O-N 2.93Å; Y507-N509 PolarHBondContact O-N 3.16Å; Y507-V510 PolarHBondContact O-N 3.37Å; Y507-V510 VanDerWaalsContact O-N 3.08Å; Y507-I511 WeakPolarHBondContact O-CG1 3.12Å; Y507-I511 PolarHBondContact O-N 3.3Å |
| 508 | F | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.5 | -45.5 | -170.5 | -164.4 | -88.8 | 0 | 0 | 0 | 112.9 | Y502 L504 S505 V510 I511 T512 L540 M541 A544 C548 E551 | Y502-F508 HydrophobicContact CE1-CD2 4.29Å; Y502-F508 VanDerWaalsContact OH-CD2 3.24Å; Y502-F508 WeakPolarHBondContact OH-CD2 3.5Å; Y502-F508 VanDerWaalsContact OH-CE2 3.28Å; Y502-F508 WeakPolarHBondContact OH-CE2 3.21Å; L504-F508 PolarHBondContact O-N 3.2Å; S505-F508 WeakPolarHBondContact O-CB 3.31Å; S505-F508 PolarHBondContact O-N 3.09Å; F508-V510 PolarHBondContact O-N 3.08Å; F508-I511 PolarHBondContact O-N 3.07Å; F508-T512 VanDerWaalsContact O-CB 3.27Å; F508-T512 WeakPolarHBondContact O-CB 3.29Å; F508-T512 PolarHBondContact O-N 3.23Å; F508-T512 PolarHBondContact O-OG1 3.03Å; F508-L540 HydrophobicContact CD2-CD1 3.85Å; F508-L540 HydrophobicContact CD2-CG 4.05Å; F508-L540 HydrophobicContact CE2-CD1 3.63Å; F508-L540 HydrophobicContact CE2-CD2 4.28Å; F508-L540 HydrophobicContact CE2-CG 3.51Å; F508-L540 WeakPolarHBondContact CE2-O 3.45Å; F508-L540 HydrophobicContact CZ-CD1 4.4Å; F508-L540 HydrophobicContact CZ-CD2 4.35Å; F508-L540 HydrophobicContact CZ-CG 3.77Å; F508-L540 WeakPolarHBondContact CZ-O 3.28Å; F508-M541 HydrophobicContact CE1-CE 3.59Å; F508-M541 HydrophobicContact CZ-CE 3.55Å; F508-A544 HydrophobicContact CE2-CB 4.15Å; F508-A544 HydrophobicContact CZ-CB 3.76Å; F508-C548 HydrophobicContact CD1-CB 3.93Å; F508-C548 HydrophobicContact CD2-CB 4.22Å; F508-C548 HydrophobicContact CE1-CB 4.01Å; F508-C548 HydrophobicContact CE2-CB 4.28Å; F508-C548 HydrophobicContact CG-CB 4.03Å; F508-C548 HydrophobicContact CZ-CB 4.18Å; F508-E551 HydrophobicContact CD1-CB 3.71Å; F508-E551 HydrophobicContact CD1-CG 4.04Å; F508-E551 HydrophobicContact CE1-CB 3.78Å |
| 509 | N | 96 | Very high | 95.7 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 35% | 0.353 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.3 | -46 | 177.5 | 170.9 | -94.8 | 0 | 0 | 0 | 112 | Y507 T512 E513 E551 | Y507-N509 PolarHBondContact O-N 3.16Å; N509-T512 PolarHBondContact O-N 3.46Å; N509-E513 WeakPolarHBondContact O-CB 3.43Å; N509-E513 PolarHBondContact O-N 3.45Å; N509-E551 HydrophobicContact CB-CG 4.1Å; N509-E551 PolarHBondContact ND2-OE1 2.97Å; N509-E551 PolarHBondContact ND2-OE2 3.48Å; N509-E551 VanDerWaalsContact ND2-OE2 3.09Å |
| 510 | V | 96.4 | Very high | 95.9 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 39% | 0.394 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.4 | -44.7 | -178.7 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | Y507 F508 E513 R514 | Y507-V510 PolarHBondContact O-N 3.37Å; Y507-V510 VanDerWaalsContact O-N 3.08Å; F508-V510 PolarHBondContact O-N 3.08Å; V510-E513 PolarHBondContact O-N 3.47Å; V510-R514 WeakPolarHBondContact O-CB 3.48Å; V510-R514 WeakPolarHBondContact O-CG 3.41Å; V510-R514 PolarHBondContact O-N 3.22Å; V510-R514 VanDerWaalsContact O-N 3.1Å |
| 511 | I | 97.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 178.3 | -60.6 | 164.7 | 0 | 0 | 0 | 109.5 | L457 F478 Y507 F508 E513 R514 L515 L540 | L457-I511 HydrophobicContact CD2-CD1 4.17Å; F478-I511 HydrophobicContact CD1-CD1 4.42Å; F478-I511 HydrophobicContact CD1-CG2 3.78Å; F478-I511 HydrophobicContact CE1-CD1 4.03Å; F478-I511 HydrophobicContact CE1-CG1 3.89Å; F478-I511 HydrophobicContact CE1-CG2 3.85Å; F478-I511 HydrophobicContact CG-CG2 4.24Å; F478-I511 HydrophobicContact CZ-CG1 4.44Å; F478-I511 HydrophobicContact CZ-CG2 4.35Å; Y507-I511 WeakPolarHBondContact O-CG1 3.12Å; Y507-I511 PolarHBondContact O-N 3.3Å; F508-I511 PolarHBondContact O-N 3.07Å; I511-E513 PolarHBondContact O-N 2.88Å; I511-R514 PolarHBondContact O-N 2.92Å; I511-L515 HydrophobicContact CG2-CD1 3.94Å; I511-L515 HydrophobicContact CG2-CG 4.35Å; I511-L515 WeakPolarHBondContact O-CG 3.48Å; I511-L515 PolarHBondContact O-N 3.39Å; I511-L540 HydrophobicContact CB-CD2 4.22Å; I511-L540 HydrophobicContact CG2-CD2 3.82Å |
| 512 | T | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 179.2 | -58.9 | 0 | 0 | 0 | 0 | 112 | F508 N509 R514 L515 L516 L537 L540 M541 V555 | F508-T512 VanDerWaalsContact O-CB 3.27Å; F508-T512 WeakPolarHBondContact O-CB 3.29Å; F508-T512 PolarHBondContact O-N 3.23Å; F508-T512 PolarHBondContact O-OG1 3.03Å; N509-T512 PolarHBondContact O-N 3.46Å; T512-R514 VanDerWaalsContact C-N 3.3Å; T512-R514 PolarHBondContact O-N 3.11Å; T512-L515 PolarHBondContact O-N 3.41Å; T512-L516 HydrophobicContact CG2-CD1 4.13Å; T512-L516 WeakPolarHBondContact O-CB 3.38Å; T512-L516 WeakPolarHBondContact O-CG 3.38Å; T512-L516 PolarHBondContact O-N 2.88Å; T512-L537 HydrophobicContact CG2-CD1 3.89Å; T512-L540 VanDerWaalsContact OG1-CD2 3.23Å; T512-L540 WeakPolarHBondContact OG1-CD2 3.4Å; T512-M541 HydrophobicContact CG2-CE 4.2Å; T512-V555 HydrophobicContact CG2-CG2 3.23Å |
| 513 | E | 97 | Very high | 96 | Very high | 110 Ų | 110 | 48 Ų | 48 | 51% | 0.514 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 177.2 | -174.4 | -179.1 | -177 | 0 | 0 | 111.6 | N509 V510 I511 L516 A517 | N509-E513 WeakPolarHBondContact O-CB 3.43Å; N509-E513 PolarHBondContact O-N 3.45Å; V510-E513 PolarHBondContact O-N 3.47Å; I511-E513 PolarHBondContact O-N 2.88Å; E513-L516 PolarHBondContact O-N 3.05Å; E513-A517 PolarHBondContact O-N 3.41Å |
| 514 | R | 97.3 | Very high | 95.8 | Very high | 114 Ų | 114 | 45.2 Ų | 45.2 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.1 | -38.4 | -179.4 | -67.4 | -71.2 | -175.9 | -173.3 | 1.4 | 112.9 | V461 L464 V510 I511 T512 A517 T518 | V461-R514 HydrophobicContact CG1-CG 3.98Å; L464-R514 HydrophobicContact CD1-CB 3.7Å; V510-R514 WeakPolarHBondContact O-CB 3.48Å; V510-R514 WeakPolarHBondContact O-CG 3.41Å; V510-R514 PolarHBondContact O-N 3.22Å; V510-R514 VanDerWaalsContact O-N 3.1Å; I511-R514 PolarHBondContact O-N 2.92Å; T512-R514 VanDerWaalsContact C-N 3.3Å; T512-R514 PolarHBondContact O-N 3.11Å; R514-A517 PolarHBondContact O-N 2.95Å; R514-T518 WeakPolarHBondContact O-CB 3.34Å; R514-T518 PolarHBondContact O-N 2.85Å; R514-T518 PolarHBondContact O-OG1 2.88Å |
| 515 | L | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 172.7 | -70.5 | 174.4 | 0 | 0 | 0 | 111.4 | L464 I511 T512 A517 T518 S519 A536 L540 | L464-L515 HydrophobicContact CD1-CD2 4.05Å; L464-L515 HydrophobicContact CD1-CG 4.41Å; L464-L515 HydrophobicContact CD2-CD2 3.86Å; I511-L515 HydrophobicContact CG2-CD1 3.94Å; I511-L515 HydrophobicContact CG2-CG 4.35Å; I511-L515 WeakPolarHBondContact O-CG 3.48Å; I511-L515 PolarHBondContact O-N 3.39Å; T512-L515 PolarHBondContact O-N 3.41Å; L515-A517 VanDerWaalsContact C-N 3.32Å; L515-A517 PolarHBondContact O-N 3.08Å; L515-T518 PolarHBondContact O-N 3.47Å; L515-S519 PolarHBondContact O-N 3.05Å; L515-S519 PolarHBondContact O-OG 3.45Å; L515-A536 HydrophobicContact CD1-CB 4Å; L515-A536 HydrophobicContact CD2-CB 3.83Å; L515-L540 HydrophobicContact CD1-CD2 4.22Å |
| 516 | L | 96.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 174 | -76.2 | 170.9 | 0 | 0 | 0 | 112.3 | T512 E513 S519 S520 L537 V555 I558 R562 | T512-L516 HydrophobicContact CG2-CD1 4.13Å; T512-L516 WeakPolarHBondContact O-CB 3.38Å; T512-L516 WeakPolarHBondContact O-CG 3.38Å; T512-L516 PolarHBondContact O-N 2.88Å; E513-L516 PolarHBondContact O-N 3.05Å; L516-S519 PolarHBondContact O-OG 3.33Å; L516-S520 PolarHBondContact O-OG 3.21Å; L516-L537 HydrophobicContact CD2-CD2 3.69Å; L516-L537 HydrophobicContact CG-CD2 4.29Å; L516-V555 HydrophobicContact CD1-CG2 4.45Å; L516-I558 HydrophobicContact CD1-CD1 3.86Å; L516-I558 HydrophobicContact CD1-CG2 4.5Å; L516-I558 HydrophobicContact CD2-CG2 4.09Å; L516-R562 PolarHBondContact O-NH2 3.22Å |
| 517 | A | 97 | Very high | 94.7 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E513 R514 L515 S519 S520 R521 | E513-A517 PolarHBondContact O-N 3.41Å; R514-A517 PolarHBondContact O-N 2.95Å; L515-A517 VanDerWaalsContact C-N 3.32Å; L515-A517 PolarHBondContact O-N 3.08Å; A517-S519 PolarHBondContact O-N 3.25Å; A517-S520 PolarHBondContact O-N 2.98Å; A517-S520 VanDerWaalsContact O-N 3.12Å; A517-R521 PolarHBondContact O-N 3.2Å |
| 518 | T | 97.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | L464 R514 L515 S520 R521 L529 A533 | L464-T518 HydrophobicContact CD2-CG2 4.47Å; R514-T518 WeakPolarHBondContact O-CB 3.34Å; R514-T518 PolarHBondContact O-N 2.85Å; R514-T518 PolarHBondContact O-OG1 2.88Å; L515-T518 PolarHBondContact O-N 3.47Å; T518-S520 PolarHBondContact O-N 3.35Å; T518-S520 VanDerWaalsContact O-N 3.1Å; T518-R521 WeakPolarHBondContact O-CB 3.41Å; T518-R521 WeakPolarHBondContact O-CG 3.25Å; T518-R521 PolarHBondContact O-N 3.18Å; T518-R521 VanDerWaalsContact O-N 3.09Å; T518-L529 HydrophobicContact CG2-CD1 3.74Å; T518-L529 HydrophobicContact CG2-CD2 4.27Å; T518-L529 HydrophobicContact CG2-CG 4.12Å; T518-A533 HydrophobicContact CG2-CB 3.98Å |
| 519 | S | 95.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.1 | 176.4 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | L515 L516 A517 R562 | L515-S519 PolarHBondContact O-N 3.05Å; L515-S519 PolarHBondContact O-OG 3.45Å; L516-S519 PolarHBondContact O-OG 3.33Å; A517-S519 PolarHBondContact O-N 3.25Å; S519-R562 PolarHBondContact OG-NH1 2.86Å |
| 520 | S | 94 | Very high | 94.4 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 8.2 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 113.7 | L516 A517 T518 R562 | L516-S520 PolarHBondContact O-OG 3.21Å; A517-S520 PolarHBondContact O-N 2.98Å; A517-S520 VanDerWaalsContact O-N 3.12Å; T518-S520 PolarHBondContact O-N 3.35Å; T518-S520 VanDerWaalsContact O-N 3.1Å; S520-R562 PolarHBondContact OG-NH2 3.1Å |
| 521 | R | 95.2 | Very high | 94.3 | Very high | 37 Ų | 37 | 50.6 Ų | 50.6 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | trans | -66.1 | 144.1 | 177.5 | -71.2 | 168.6 | 56.2 | 160.1 | 0.8 | 111.7 | L464 T466 A517 T518 D523 G524 L529 | L464-R521 PolarHBondContact O-NH1 2.81Å; T466-R521 VanDerWaalsContact O-CZ 3.23Å; T466-R521 PolarHBondContact O-NH1 3.33Å; T466-R521 PolarHBondContact O-NH2 2.95Å; A517-R521 PolarHBondContact O-N 3.2Å; T518-R521 WeakPolarHBondContact O-CB 3.41Å; T518-R521 WeakPolarHBondContact O-CG 3.25Å; T518-R521 PolarHBondContact O-N 3.18Å; T518-R521 VanDerWaalsContact O-N 3.09Å; R521-D523 VanDerWaalsContact C-N 3.27Å; R521-D523 WeakPolarHBondContact CB-OD1 3.47Å; R521-D523 IonicContact CZ-OD1 3.39Å; R521-D523 IonicContact CZ-OD2 3.75Å; R521-D523 IonicContact NE-OD1 2.75Å; R521-D523 PolarHBondContact NE-OD1 3.22Å; R521-D523 IonicContact NE-OD2 2.82Å; R521-D523 IonicContact NH2-OD1 3.27Å; R521-D523 PolarHBondContact NH2-OD1 3.44Å; R521-D523 IonicContact NH2-OD2 3.66Å; R521-D523 PolarHBondContact NH2-OD2 3.1Å; R521-D523 PolarHBondContact O-N 3.37Å; R521-G524 PolarHBondContact O-N 2.92Å; R521-G524 VanDerWaalsContact O-N 3.15Å; R521-L529 VanDerWaalsContact CZ-CD2 3.45Å | ||
| 522 | P | 92.8 | Very high | 94.3 | Very high | 134 Ų | 134 | 51.6 Ų | 51.6 | 87% | 0.87 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.1 | 179.4 | 27.3 | -34.8 | 0 | 0 | 0 | 113.2 | G524 | P522-G524 VanDerWaalsContact C-N 3.33Š|
| 523 | D | 94 | Very high | 94.4 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 9 | 176.4 | 60.3 | -7.2 | 0 | 0 | 0 | 113.2 | P468 R521 G525 Q526 | P468-D523 HydrophobicContact CG-CB 4.16Å; P468-D523 WeakPolarHBondContact CG-OD2 3.47Å; R521-D523 VanDerWaalsContact C-N 3.27Å; R521-D523 WeakPolarHBondContact CB-OD1 3.47Å; R521-D523 IonicContact CZ-OD1 3.39Å; R521-D523 IonicContact CZ-OD2 3.75Å; R521-D523 IonicContact NE-OD1 2.75Å; R521-D523 PolarHBondContact NE-OD1 3.22Å; R521-D523 IonicContact NE-OD2 2.82Å; R521-D523 IonicContact NH2-OD1 3.27Å; R521-D523 PolarHBondContact NH2-OD1 3.44Å; R521-D523 IonicContact NH2-OD2 3.66Å; R521-D523 PolarHBondContact NH2-OD2 3.1Å; R521-D523 PolarHBondContact O-N 3.37Å; D523-G525 PolarHBondContact O-N 3.03Å; D523-Q526 WeakPolarHBondContact O-CB 3.14Å; D523-Q526 PolarHBondContact O-N 2.91Å |
| 524 | G | 90.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R521 P522 Q526 R530 | R521-G524 PolarHBondContact O-N 2.92Å; R521-G524 VanDerWaalsContact O-N 3.15Å; P522-G524 VanDerWaalsContact C-N 3.33Å; G524-Q526 VanDerWaalsContact C-N 3.31Å; G524-R530 WeakPolarHBondContact O-CB 3.41Å; G524-R530 PolarHBondContact O-N 2.92Å |
| 525 | G | 88 | Confident | 94.4 | Very high | 55 Ų | 55 | 44 Ų | 44 | 57% | 0.567 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -9.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D523 | D523-G525 PolarHBondContact O-N 3.03Š|
| 526 | Q | 90.4 | Very high | 94.3 | Very high | 108 Ų | 108 | 44 Ų | 44 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -88.8 | 142.5 | 178.3 | -61.1 | 177.1 | 3.9 | 0 | 0 | 110.6 | P468 D523 G524 N528 L529 | P468-Q526 HydrophobicContact CB-CB 4.03Å; P468-Q526 HydrophobicContact CG-CB 4.09Å; D523-Q526 WeakPolarHBondContact O-CB 3.14Å; D523-Q526 PolarHBondContact O-N 2.91Å; G524-Q526 VanDerWaalsContact C-N 3.31Å; Q526-N528 PolarHBondContact O-N 3.24Å; Q526-L529 WeakPolarHBondContact O-CB 3.4Å; Q526-L529 PolarHBondContact O-N 3.4Å |
| 527 | H | 87 | Confident | 94.4 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | 48 | 34.2 | 178.5 | -52.9 | -81.4 | 0 | 0 | 0 | 113.7 | D343 P468 R469 L529 | D343-H527 IonicContact OD2-CE1 2.58Å; D343-H527 PolarHBondContact OD2-CE1 3.25Å; D343-H527 IonicContact OD2-ND1 2.77Å; D343-H527 PolarHBondContact OD2-ND1 3.41Å; D343-H527 VanDerWaalsContact OD2-ND1 3.15Å; D343-H527 IonicContact OD2-NE2 3.66Å; P468-H527 HydrophobicContact CB-CB 4.47Å; R469-H527 HydrophobicContact CB-CB 4.16Å; H527-L529 PolarHBondContact O-N 2.98Å |
| 528 | N | 90.4 | Very high | 94.4 | Very high | 114 Ų | 114 | 42 Ų | 42 | 61% | 0.61 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | 52.8 | 25.7 | -177 | -65.6 | -23.2 | 0 | 0 | 0 | 114.9 | Q526 R530 N531 A532 | Q526-N528 PolarHBondContact O-N 3.24Å; N528-R530 VanDerWaalsContact C-N 3.32Å; N528-R530 PolarHBondContact O-N 3.17Å; N528-N531 HydrophobicContact CB-CB 4.42Å; N528-N531 WeakPolarHBondContact O-CB 3.48Å; N528-N531 PolarHBondContact O-N 3.43Å; N528-A532 PolarHBondContact O-N 3.07Å |
| 529 | L | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.9 | -43.7 | -173.4 | 174.1 | 62.2 | 0 | 0 | 0 | 112.9 | P468 A471 A472 T518 R521 Q526 H527 N531 A532 A533 | P468-L529 HydrophobicContact CB-CB 4.09Å; P468-L529 HydrophobicContact CB-CD2 3.95Å; P468-L529 HydrophobicContact CG-CD2 4.43Å; A471-L529 HydrophobicContact CB-CD1 3.47Å; A471-L529 VanDerWaalsContact CB-CD1 3.47Å; A471-L529 HydrophobicContact CB-CD2 4.39Å; A472-L529 HydrophobicContact CB-CD1 4.45Å; T518-L529 HydrophobicContact CG2-CD1 3.74Å; T518-L529 HydrophobicContact CG2-CD2 4.27Å; T518-L529 HydrophobicContact CG2-CG 4.12Å; R521-L529 VanDerWaalsContact CZ-CD2 3.45Å; Q526-L529 WeakPolarHBondContact O-CB 3.4Å; Q526-L529 PolarHBondContact O-N 3.4Å; H527-L529 PolarHBondContact O-N 2.98Å; L529-N531 VanDerWaalsContact C-N 3.34Å; L529-N531 PolarHBondContact O-N 3.03Å; L529-A532 PolarHBondContact O-N 3.32Å; L529-A533 WeakPolarHBondContact O-CB 3.48Å; L529-A533 PolarHBondContact O-N 3.19Å |
| 530 | R | 95.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 18% | 0.177 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 179 | -176.2 | -177.4 | -61.9 | 133.6 | 3.7 | 111.2 | G524 N528 A533 Y534 L588 | G524-R530 WeakPolarHBondContact O-CB 3.41Å; G524-R530 PolarHBondContact O-N 2.92Å; N528-R530 VanDerWaalsContact C-N 3.32Å; N528-R530 PolarHBondContact O-N 3.17Å; R530-A533 PolarHBondContact O-N 3.2Å; R530-Y534 HydrophobicContact CG-CD2 3.88Å; R530-Y534 HydrophobicContact CG-CE2 3.88Å; R530-Y534 WeakPolarHBondContact O-CD2 3.16Å; R530-Y534 PolarHBondContact O-N 3.18Å; R530-L588 HydrophobicContact CG-CD1 4.13Å |
| 531 | N | 94.4 | Very high | 94.5 | Very high | 58 Ų | 58 | 38.3 Ų | 38.3 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -49.9 | 177.5 | -62.5 | 15.6 | 0 | 0 | 0 | 109.2 | N528 L529 A533 Y534 S535 L588 | N528-N531 HydrophobicContact CB-CB 4.42Å; N528-N531 WeakPolarHBondContact O-CB 3.48Å; N528-N531 PolarHBondContact O-N 3.43Å; L529-N531 VanDerWaalsContact C-N 3.34Å; L529-N531 PolarHBondContact O-N 3.03Å; N531-A533 VanDerWaalsContact C-N 3.32Å; N531-A533 PolarHBondContact O-N 3.03Å; N531-Y534 PolarHBondContact O-N 3.28Å; N531-S535 WeakPolarHBondContact O-CB 3.47Å; N531-S535 PolarHBondContact O-N 2.89Å; N531-S535 PolarHBondContact O-OG 3.08Å; N531-S535 VanDerWaalsContact O-OG 3.05Å; N531-L588 HydrophobicContact CB-CD2 4.22Å; N531-L588 VanDerWaalsContact OD1-CD1 3.3Å; N531-L588 WeakPolarHBondContact OD1-CD1 3.25Å |
| 532 | A | 96.7 | Very high | 94.5 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.2 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A472 C475 N528 L529 S535 A536 | A472-A532 HydrophobicContact CB-CB 4.07Å; C475-A532 HydrophobicContact CB-CB 3.82Å; C475-A532 WeakPolarHBondContact CB-O 3.2Å; N528-A532 PolarHBondContact O-N 3.07Å; L529-A532 PolarHBondContact O-N 3.32Å; A532-S535 PolarHBondContact O-N 2.81Å; A532-A536 WeakPolarHBondContact O-CB 3.5Å; A532-A536 PolarHBondContact O-N 3Å |
| 533 | A | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C475 T518 L529 R530 N531 L537 | C475-A533 VanDerWaalsContact SG-CA 3.56Å; T518-A533 HydrophobicContact CG2-CB 3.98Å; L529-A533 WeakPolarHBondContact O-CB 3.48Å; L529-A533 PolarHBondContact O-N 3.19Å; R530-A533 PolarHBondContact O-N 3.2Å; N531-A533 VanDerWaalsContact C-N 3.32Å; N531-A533 PolarHBondContact O-N 3.03Å; A533-L537 WeakPolarHBondContact O-CB 3.39Å; A533-L537 PolarHBondContact O-N 3.18Å |
| 534 | Y | 97.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.2 | -37.9 | 175 | -83.6 | -67.6 | 0 | 0 | 0 | 112.1 | R530 N531 L537 M538 R562 L585 L588 L589 T592 | R530-Y534 HydrophobicContact CG-CD2 3.88Å; R530-Y534 HydrophobicContact CG-CE2 3.88Å; R530-Y534 WeakPolarHBondContact O-CD2 3.16Å; R530-Y534 PolarHBondContact O-N 3.18Å; N531-Y534 PolarHBondContact O-N 3.28Å; Y534-L537 HydrophobicContact CD1-CD2 4.3Å; Y534-L537 WeakPolarHBondContact O-CB 3.39Å; Y534-L537 PolarHBondContact O-N 3.02Å; Y534-M538 WeakPolarHBondContact O-CB 3.27Å; Y534-M538 VanDerWaalsContact O-CG 3.26Å; Y534-M538 WeakPolarHBondContact O-CG 3.45Å; Y534-M538 PolarHBondContact O-N 3.15Å; Y534-R562 PolarHBondContact OH-NH1 3.2Å; Y534-L585 HydrophobicContact CE2-CD1 3.81Å; Y534-L588 HydrophobicContact CD2-CB 3.87Å; Y534-L588 HydrophobicContact CD2-CD1 3.77Å; Y534-L588 HydrophobicContact CD2-CG 4.33Å; Y534-L588 HydrophobicContact CE2-CB 4.43Å; Y534-L588 HydrophobicContact CE2-CD1 4.41Å; Y534-L588 HydrophobicContact CG-CB 3.99Å; Y534-L589 HydrophobicContact CE1-CD2 3.78Å; Y534-T592 WeakPolarHBondContact CD1-OG1 3.19Å |
| 535 | S | 96.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 33.5 Ų | 33.5 | 41% | 0.406 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 173.8 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | N531 A532 L537 M538 A539 | N531-S535 WeakPolarHBondContact O-CB 3.47Å; N531-S535 PolarHBondContact O-N 2.89Å; N531-S535 PolarHBondContact O-OG 3.08Å; N531-S535 VanDerWaalsContact O-OG 3.05Å; A532-S535 PolarHBondContact O-N 2.81Å; S535-L537 VanDerWaalsContact C-N 3.34Å; S535-L537 PolarHBondContact O-N 3.34Å; S535-M538 WeakPolarHBondContact O-CB 3.43Å; S535-M538 PolarHBondContact O-N 3.4Å; S535-A539 PolarHBondContact O-N 3.4Å |
| 536 | A | 97.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | C475 L515 A532 A539 L540 | C475-A536 HydrophobicContact CB-CB 3.93Å; C475-A536 WeakPolarHBondContact O-CB 3.25Å; L515-A536 HydrophobicContact CD1-CB 4Å; L515-A536 HydrophobicContact CD2-CB 3.83Å; A532-A536 WeakPolarHBondContact O-CB 3.5Å; A532-A536 PolarHBondContact O-N 3Å; A536-A539 PolarHBondContact O-N 2.71Å; A536-L540 WeakPolarHBondContact O-CB 3.48Å; A536-L540 PolarHBondContact O-N 3.12Å |
| 537 | L | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 174.7 | -176.7 | 65.2 | 0 | 0 | 0 | 111.1 | T512 L516 A533 Y534 S535 L540 M541 V555 T592 | T512-L537 HydrophobicContact CG2-CD1 3.89Å; L516-L537 HydrophobicContact CD2-CD2 3.69Å; L516-L537 HydrophobicContact CG-CD2 4.29Å; A533-L537 WeakPolarHBondContact O-CB 3.39Å; A533-L537 PolarHBondContact O-N 3.18Å; Y534-L537 HydrophobicContact CD1-CD2 4.3Å; Y534-L537 WeakPolarHBondContact O-CB 3.39Å; Y534-L537 PolarHBondContact O-N 3.02Å; S535-L537 VanDerWaalsContact C-N 3.34Å; S535-L537 PolarHBondContact O-N 3.34Å; L537-L540 PolarHBondContact O-N 3.01Å; L537-M541 HydrophobicContact CD1-CE 4.09Å; L537-M541 VanDerWaalsContact O-CG 3.26Å; L537-M541 WeakPolarHBondContact O-CG 3.36Å; L537-M541 PolarHBondContact O-N 3.19Å; L537-V555 HydrophobicContact CD1-CG1 4.36Å; L537-V555 HydrophobicContact CD2-CG1 4.26Å; L537-T592 HydrophobicContact CD2-CG2 3.94Å; L537-T592 HydrophobicContact CG-CG2 4.3Å |
| 538 | M | 97.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 11% | 0.108 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 175.6 | -73.8 | 173 | -140.7 | 0 | 0 | 111.7 | Y534 S535 L540 M541 R542 L588 | Y534-M538 WeakPolarHBondContact O-CB 3.27Å; Y534-M538 VanDerWaalsContact O-CG 3.26Å; Y534-M538 WeakPolarHBondContact O-CG 3.45Å; Y534-M538 PolarHBondContact O-N 3.15Å; S535-M538 WeakPolarHBondContact O-CB 3.43Å; S535-M538 PolarHBondContact O-N 3.4Å; M538-L540 VanDerWaalsContact C-N 3.35Å; M538-L540 PolarHBondContact O-N 3.33Å; M538-M541 PolarHBondContact O-N 3.04Å; M538-R542 WeakPolarHBondContact O-CG 3.31Å; M538-R542 PolarHBondContact O-N 3.14Å; M538-L588 HydrophobicContact CE-CD2 4.33Å; M538-L588 VanDerWaalsContact CE-O 3.29Å; M538-L588 WeakPolarHBondContact CE-O 3.49Å |
| 539 | A | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | S479 E483 S535 A536 M541 R542 S543 | S479-A539 WeakPolarHBondContact OG-CB 3.45Å; E483-A539 HydrophobicContact CG-CB 4.31Å; S535-A539 PolarHBondContact O-N 3.4Å; A536-A539 PolarHBondContact O-N 2.71Å; A539-M541 VanDerWaalsContact C-N 3.31Å; A539-M541 PolarHBondContact O-N 3.24Å; A539-R542 PolarHBondContact O-N 3.11Å; A539-S543 VanDerWaalsContact O-CB 3.24Å; A539-S543 WeakPolarHBondContact O-CB 3.46Å; A539-S543 PolarHBondContact O-N 3.19Å; A539-S543 PolarHBondContact O-OG 3.05Å; A539-S543 VanDerWaalsContact O-OG 3.13Å |
| 540 | L | 96.9 | Very high | 96 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -39.4 | 176.2 | -167.1 | 68.7 | 0 | 0 | 0 | 112.2 | A482 F508 I511 T512 L515 A536 L537 M538 S543 A544 | A482-L540 HydrophobicContact CB-CD1 3.81Å; F508-L540 HydrophobicContact CD2-CD1 3.85Å; F508-L540 HydrophobicContact CD2-CG 4.05Å; F508-L540 HydrophobicContact CE2-CD1 3.63Å; F508-L540 HydrophobicContact CE2-CD2 4.28Å; F508-L540 HydrophobicContact CE2-CG 3.51Å; F508-L540 WeakPolarHBondContact CE2-O 3.45Å; F508-L540 HydrophobicContact CZ-CD1 4.4Å; F508-L540 HydrophobicContact CZ-CD2 4.35Å; F508-L540 HydrophobicContact CZ-CG 3.77Å; F508-L540 WeakPolarHBondContact CZ-O 3.28Å; I511-L540 HydrophobicContact CB-CD2 4.22Å; I511-L540 HydrophobicContact CG2-CD2 3.82Å; T512-L540 VanDerWaalsContact OG1-CD2 3.23Å; T512-L540 WeakPolarHBondContact OG1-CD2 3.4Å; L515-L540 HydrophobicContact CD1-CD2 4.22Å; A536-L540 WeakPolarHBondContact O-CB 3.48Å; A536-L540 PolarHBondContact O-N 3.12Å; L537-L540 PolarHBondContact O-N 3.01Å; M538-L540 VanDerWaalsContact C-N 3.35Å; M538-L540 PolarHBondContact O-N 3.33Å; L540-S543 CarbonylContact O-C 3.57Å; L540-S543 PolarHBondContact O-N 3.38Å; L540-A544 PolarHBondContact O-N 2.84Å; L540-A544 VanDerWaalsContact O-N 3.15Å |
| 541 | M | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.9 | -44.8 | 176.1 | -66 | -57.4 | 102 | 0 | 0 | 111.9 | F508 T512 L537 M538 A539 S543 A544 V552 V555 V596 K599 | F508-M541 HydrophobicContact CE1-CE 3.59Å; F508-M541 HydrophobicContact CZ-CE 3.55Å; T512-M541 HydrophobicContact CG2-CE 4.2Å; L537-M541 HydrophobicContact CD1-CE 4.09Å; L537-M541 VanDerWaalsContact O-CG 3.26Å; L537-M541 WeakPolarHBondContact O-CG 3.36Å; L537-M541 PolarHBondContact O-N 3.19Å; M538-M541 PolarHBondContact O-N 3.04Å; A539-M541 VanDerWaalsContact C-N 3.31Å; A539-M541 PolarHBondContact O-N 3.24Å; M541-S543 PolarHBondContact O-N 3.31Å; M541-A544 VanDerWaalsContact O-CB 3.28Å; M541-A544 WeakPolarHBondContact O-CB 3.28Å; M541-A544 PolarHBondContact O-N 3.05Å; M541-V552 HydrophobicContact SD-CG2 4.27Å; M541-V555 HydrophobicContact CE-CG2 4.06Å; M541-V555 HydrophobicContact CG-CG1 4.32Å; M541-V555 HydrophobicContact SD-CB 3.88Å; M541-V555 HydrophobicContact SD-CG1 3.9Å; M541-V555 HydrophobicContact SD-CG2 3.94Å; M541-V596 HydrophobicContact CB-CG1 4Å; M541-V596 HydrophobicContact CG-CG1 3.55Å; M541-V596 HydrophobicContact SD-CG1 3.89Å; M541-K599 WeakPolarHBondContact O-CG 3.21Å |
| 542 | R | 94.8 | Very high | 96 | Very high | 105 Ų | 105 | 28.5 Ų | 28.5 | 40% | 0.396 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.7 | -33.9 | 174.3 | -69.8 | -168.8 | -57.8 | -94.6 | 2.5 | 112.1 | E483 M538 A539 A544 K599 | E483-R542 IonicContact OE1-CZ 2.9Å; E483-R542 IonicContact OE1-NH2 2.82Å; E483-R542 PolarHBondContact OE1-NH2 2.89Å; M538-R542 WeakPolarHBondContact O-CG 3.31Å; M538-R542 PolarHBondContact O-N 3.14Å; A539-R542 PolarHBondContact O-N 3.11Å; R542-A544 VanDerWaalsContact C-N 3.33Å; R542-K599 WeakPolarHBondContact O-CE 3.4Å; R542-K599 PolarHBondContact O-NZ 3.1Å; R542-K599 VanDerWaalsContact O-NZ 3.13Å |
| 543 | S | 94.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 18.6 | 179.7 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | A482 Y486 Y502 A539 L540 M541 A545 | A482-S543 WeakPolarHBondContact O-CB 3.28Å; A482-S543 PolarHBondContact O-OG 3.39Å; Y486-S543 VanDerWaalsContact CD2-O 3.23Å; Y486-S543 WeakPolarHBondContact CD2-O 3.39Å; Y502-S543 WeakPolarHBondContact CE2-O 3.28Å; Y502-S543 VanDerWaalsContact CZ-O 3.26Å; Y502-S543 PolarHBondContact OH-O 3.35Å; A539-S543 VanDerWaalsContact O-CB 3.24Å; A539-S543 WeakPolarHBondContact O-CB 3.46Å; A539-S543 PolarHBondContact O-N 3.19Å; A539-S543 PolarHBondContact O-OG 3.05Å; A539-S543 VanDerWaalsContact O-OG 3.13Å; L540-S543 CarbonylContact O-C 3.57Å; L540-S543 PolarHBondContact O-N 3.38Å; M541-S543 PolarHBondContact O-N 3.31Å; S543-A545 PolarHBondContact O-N 3.38Å |
| 544 | A | 95.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | trans | -73.3 | 125.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F508 L540 M541 R542 C548 V552 K599 | F508-A544 HydrophobicContact CE2-CB 4.15Å; F508-A544 HydrophobicContact CZ-CB 3.76Å; L540-A544 PolarHBondContact O-N 2.84Å; L540-A544 VanDerWaalsContact O-N 3.15Å; M541-A544 VanDerWaalsContact O-CB 3.28Å; M541-A544 WeakPolarHBondContact O-CB 3.28Å; M541-A544 PolarHBondContact O-N 3.05Å; R542-A544 VanDerWaalsContact C-N 3.33Å; A544-C548 HydrophobicContact CB-CB 4.26Å; A544-V552 HydrophobicContact CB-CG2 3.6Å; A544-K599 PolarHBondContact O-NZ 3.44Å; A544-K599 VanDerWaalsContact O-NZ 3.08Å | ||
| 545 | A | 94.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | trans | -75.3 | 166 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P499 Y502 S543 D547 C548 | P499-A545 HydrophobicContact CG-CB 4.33Å; P499-A545 WeakPolarHBondContact O-CA 3.11Å; P499-A545 WeakPolarHBondContact O-CB 3.39Å; Y502-A545 HydrophobicContact CD1-CB 4.1Å; Y502-A545 HydrophobicContact CE1-CB 4.37Å; Y502-A545 HydrophobicContact CG-CB 4.36Å; S543-A545 PolarHBondContact O-N 3.38Å; A545-D547 VanDerWaalsContact C-N 3.27Å; A545-D547 WeakPolarHBondContact CB-OD1 3.36Å; A545-D547 PolarHBondContact O-N 3.41Å; A545-C548 WeakPolarHBondContact O-CB 3.35Å; A545-C548 PolarHBondContact O-N 2.97Å | ||
| 546 | Q | 93.1 | Very high | 95.5 | Very high | 99 Ų | 99 | 31.2 Ų | 31.2 | 46% | 0.463 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -59.4 | -35.4 | -175.5 | -61.1 | 177.5 | 9.9 | 0 | 0 | 113.2 | E498 P499 C548 Y549 | E498-Q546 HydrophobicContact CB-CG 4.46Å; E498-Q546 PolarHBondContact O-NE2 2.93Å; P499-Q546 PolarHBondContact O-N 3.21Å; Q546-C548 PolarHBondContact O-N 3.42Å; Q546-Y549 VanDerWaalsContact O-CB 3.29Å; Q546-Y549 WeakPolarHBondContact O-CB 3.43Å; Q546-Y549 PolarHBondContact O-N 2.9Å |
| 547 | D | 95.2 | Very high | 95.3 | Very high | 82 Ų | 82 | 35.1 Ų | 35.1 | 44% | 0.439 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -72.1 | -12.4 | 177.4 | 67.4 | -15 | 0 | 0 | 0 | 114.3 | R500 T501 S505 A545 | R500-D547 WeakPolarHBondContact O-CB 3.49Å; R500-D547 PolarHBondContact O-N 3.05Å; R500-D547 VanDerWaalsContact O-N 3.08Å; T501-D547 WeakPolarHBondContact CB-OD2 3.43Å; T501-D547 PolarHBondContact OG1-OD2 3.23Å; S505-D547 WeakPolarHBondContact CB-OD1 3.09Å; S505-D547 WeakPolarHBondContact CB-OD2 3.42Å; S505-D547 VanDerWaalsContact OG-CG 3.23Å; S505-D547 PolarHBondContact OG-OD1 2.89Å; S505-D547 PolarHBondContact OG-OD2 3.32Å; A545-D547 VanDerWaalsContact C-N 3.27Å; A545-D547 WeakPolarHBondContact CB-OD1 3.36Å; A545-D547 PolarHBondContact O-N 3.41Å |
| 548 | C | 96.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.034 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -90.6 | 1.2 | 175.6 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | F508 A544 A545 Q546 C550 E551 V552 | F508-C548 HydrophobicContact CD1-CB 3.93Å; F508-C548 HydrophobicContact CD2-CB 4.22Å; F508-C548 HydrophobicContact CE1-CB 4.01Å; F508-C548 HydrophobicContact CE2-CB 4.28Å; F508-C548 HydrophobicContact CG-CB 4.03Å; F508-C548 HydrophobicContact CZ-CB 4.18Å; A544-C548 HydrophobicContact CB-CB 4.26Å; A545-C548 WeakPolarHBondContact O-CB 3.35Å; A545-C548 PolarHBondContact O-N 2.97Å; Q546-C548 PolarHBondContact O-N 3.42Å; C548-C550 VanDerWaalsContact C-N 3.3Å; C548-C550 PolarHBondContact O-N 2.91Å; C548-E551 WeakPolarHBondContact O-CB 3.46Å; C548-E551 PolarHBondContact O-N 3.33Å; C548-V552 PolarHBondContact O-N 3.34Å |
| 549 | Y | 95.3 | Very high | 95 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 21% | 0.208 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.6 | -37.3 | -173.8 | -175.4 | -107 | 0 | 0 | 0 | 114.2 | Q546 E551 V552 Q553 K599 S601 D604 | Q546-Y549 VanDerWaalsContact O-CB 3.29Å; Q546-Y549 WeakPolarHBondContact O-CB 3.43Å; Q546-Y549 PolarHBondContact O-N 2.9Å; Y549-E551 PolarHBondContact O-N 3.3Å; Y549-V552 WeakPolarHBondContact O-CB 3.43Å; Y549-V552 PolarHBondContact O-N 3.38Å; Y549-V552 VanDerWaalsContact O-N 3.12Å; Y549-Q553 HydrophobicContact CD1-CG 4.21Å; Y549-Q553 HydrophobicContact CE1-CG 3.8Å; Y549-Q553 PolarHBondContact O-N 3.33Å; Y549-K599 WeakPolarHBondContact CE2-O 3.49Å; Y549-S601 VanDerWaalsContact OH-CB 3.31Å; Y549-S601 WeakPolarHBondContact OH-CB 3.39Å; Y549-S601 PolarHBondContact OH-N 2.96Å; Y549-S601 PolarHBondContact OH-OG 3.48Å; Y549-D604 VanDerWaalsContact CE1-OD2 3.28Å; Y549-D604 WeakPolarHBondContact CE1-OD2 3.5Å; Y549-D604 VanDerWaalsContact CZ-OD2 3.32Å; Y549-D604 PolarHBondContact OH-OD2 3.37Å |
| 550 | C | 94.9 | Very high | 94.7 | Very high | 89 Ų | 89 | 35.9 Ų | 35.9 | 60% | 0.601 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -61.2 | -33.7 | 175.9 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | C548 R554 | C548-C550 VanDerWaalsContact C-N 3.3Å; C548-C550 PolarHBondContact O-N 2.91Å; C550-R554 PolarHBondContact O-N 2.96Å; C550-R554 VanDerWaalsContact O-N 3.08Å |
| 551 | E | 95.4 | Very high | 94.5 | Very high | 35 Ų | 35 | 41.8 Ų | 41.8 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.6 | -38 | 174.6 | -71 | -59.9 | 133.6 | 0 | 0 | 111.5 | F508 N509 C548 Y549 Q553 R554 V555 | F508-E551 HydrophobicContact CD1-CB 3.71Å; F508-E551 HydrophobicContact CD1-CG 4.04Å; F508-E551 HydrophobicContact CE1-CB 3.78Å; N509-E551 HydrophobicContact CB-CG 4.1Å; N509-E551 PolarHBondContact ND2-OE1 2.97Å; N509-E551 PolarHBondContact ND2-OE2 3.48Å; N509-E551 VanDerWaalsContact ND2-OE2 3.09Å; C548-E551 WeakPolarHBondContact O-CB 3.46Å; C548-E551 PolarHBondContact O-N 3.33Å; Y549-E551 PolarHBondContact O-N 3.3Å; E551-Q553 VanDerWaalsContact C-N 3.31Å; E551-Q553 PolarHBondContact O-N 3.27Å; E551-R554 PolarHBondContact O-N 3.08Å; E551-R554 VanDerWaalsContact O-N 3.16Å; E551-R554 IonicContact OE1-NE 3.91Å; E551-R554 IonicContact OE2-CZ 3.55Å; E551-R554 VanDerWaalsContact OE2-CZ 3.27Å; E551-R554 IonicContact OE2-NE 2.95Å; E551-R554 PolarHBondContact OE2-NE 3.13Å; E551-R554 IonicContact OE2-NH2 3.88Å; E551-R554 PolarHBondContact OE2-NH2 2.88Å; E551-V555 WeakPolarHBondContact O-CG2 3.42Å; E551-V555 PolarHBondContact O-N 3.07Å |
| 552 | V | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 172.8 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | M541 A544 C548 Y549 R554 V555 T556 V596 K599 I600 | M541-V552 HydrophobicContact SD-CG2 4.27Å; A544-V552 HydrophobicContact CB-CG2 3.6Å; C548-V552 PolarHBondContact O-N 3.34Å; Y549-V552 WeakPolarHBondContact O-CB 3.43Å; Y549-V552 PolarHBondContact O-N 3.38Å; Y549-V552 VanDerWaalsContact O-N 3.12Å; V552-R554 PolarHBondContact O-N 3.14Å; V552-V555 PolarHBondContact O-N 3.1Å; V552-T556 WeakPolarHBondContact O-CB 3.46Å; V552-T556 PolarHBondContact O-N 3.42Å; V552-T556 PolarHBondContact O-OG1 2.92Å; V552-V596 HydrophobicContact CG1-CB 4.27Å; V552-K599 HydrophobicContact CG1-CB 3.85Å; V552-I600 HydrophobicContact CG1-CD1 4.29Å |
| 553 | Q | 94.2 | Very high | 94.2 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 174.3 | -69.6 | -179.6 | -46.1 | 0 | 0 | 111.8 | Y549 E551 T556 L557 I600 D604 | Y549-Q553 HydrophobicContact CD1-CG 4.21Å; Y549-Q553 HydrophobicContact CE1-CG 3.8Å; Y549-Q553 PolarHBondContact O-N 3.33Å; E551-Q553 VanDerWaalsContact C-N 3.31Å; E551-Q553 PolarHBondContact O-N 3.27Å; Q553-T556 WeakPolarHBondContact O-CB 3.2Å; Q553-T556 PolarHBondContact O-N 3.04Å; Q553-L557 WeakPolarHBondContact O-CG 3.35Å; Q553-L557 PolarHBondContact O-N 2.93Å; Q553-I600 HydrophobicContact CG-CD1 4.29Å; Q553-D604 PolarHBondContact NE2-OD2 3.01Å |
| 554 | R | 95.3 | Very high | 93.9 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 179 | -171.6 | -175.3 | 67.5 | 80.4 | 0.2 | 111.9 | C550 E551 V552 T556 L557 I558 | C550-R554 PolarHBondContact O-N 2.96Å; C550-R554 VanDerWaalsContact O-N 3.08Å; E551-R554 PolarHBondContact O-N 3.08Å; E551-R554 VanDerWaalsContact O-N 3.16Å; E551-R554 IonicContact OE1-NE 3.91Å; E551-R554 IonicContact OE2-CZ 3.55Å; E551-R554 VanDerWaalsContact OE2-CZ 3.27Å; E551-R554 IonicContact OE2-NE 2.95Å; E551-R554 PolarHBondContact OE2-NE 3.13Å; E551-R554 IonicContact OE2-NH2 3.88Å; E551-R554 PolarHBondContact OE2-NH2 2.88Å; V552-R554 PolarHBondContact O-N 3.14Å; R554-T556 VanDerWaalsContact C-N 3.33Å; R554-L557 PolarHBondContact O-N 2.97Å; R554-I558 HydrophobicContact CG-CD1 4.17Å; R554-I558 WeakPolarHBondContact O-CG1 2.87Å; R554-I558 PolarHBondContact O-N 3.04Å; R554-I558 VanDerWaalsContact O-N 3.15Å |
| 555 | V | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | T512 L516 L537 M541 E551 V552 L557 I558 V559 V596 | T512-V555 HydrophobicContact CG2-CG2 3.23Å; L516-V555 HydrophobicContact CD1-CG2 4.45Å; L537-V555 HydrophobicContact CD1-CG1 4.36Å; L537-V555 HydrophobicContact CD2-CG1 4.26Å; M541-V555 HydrophobicContact CE-CG2 4.06Å; M541-V555 HydrophobicContact CG-CG1 4.32Å; M541-V555 HydrophobicContact SD-CB 3.88Å; M541-V555 HydrophobicContact SD-CG1 3.9Å; M541-V555 HydrophobicContact SD-CG2 3.94Å; E551-V555 WeakPolarHBondContact O-CG2 3.42Å; E551-V555 PolarHBondContact O-N 3.07Å; V552-V555 PolarHBondContact O-N 3.1Å; V555-L557 VanDerWaalsContact C-N 3.31Å; V555-L557 PolarHBondContact O-N 3.23Å; V555-I558 PolarHBondContact O-N 3.49Å; V555-I558 VanDerWaalsContact O-N 3.16Å; V555-V559 HydrophobicContact CG1-CG2 4.02Å; V555-V559 VanDerWaalsContact O-CG2 3.3Å; V555-V559 WeakPolarHBondContact O-CG2 3.43Å; V555-V559 PolarHBondContact O-N 2.98Å; V555-V596 HydrophobicContact CG1-CG1 4.08Å |
| 556 | T | 93.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.2 | -46.6 | 177.7 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | V552 Q553 R554 V559 L560 V596 I600 I608 | V552-T556 WeakPolarHBondContact O-CB 3.46Å; V552-T556 PolarHBondContact O-N 3.42Å; V552-T556 PolarHBondContact O-OG1 2.92Å; Q553-T556 WeakPolarHBondContact O-CB 3.2Å; Q553-T556 PolarHBondContact O-N 3.04Å; R554-T556 VanDerWaalsContact C-N 3.33Å; T556-V559 PolarHBondContact O-N 3.18Å; T556-L560 HydrophobicContact CG2-CD1 4.27Å; T556-L560 WeakPolarHBondContact O-CG 3.38Å; T556-L560 PolarHBondContact O-N 3.43Å; T556-V596 HydrophobicContact CG2-CG2 4.06Å; T556-V596 VanDerWaalsContact OG1-CB 3.32Å; T556-V596 WeakPolarHBondContact OG1-CB 3.39Å; T556-V596 WeakPolarHBondContact OG1-CG2 3.21Å; T556-I600 HydrophobicContact CG2-CD1 4.49Å; T556-I608 HydrophobicContact CG2-CD1 3.74Å |
| 557 | L | 93 | Very high | 92.6 | Very high | 83 Ų | 83 | 43.9 Ų | 43.9 | 44% | 0.435 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.6 | -64.5 | 177.2 | 0 | 0 | 0 | 112.2 | Q553 R554 V555 V559 L560 E561 | Q553-L557 WeakPolarHBondContact O-CG 3.35Å; Q553-L557 PolarHBondContact O-N 2.93Å; R554-L557 PolarHBondContact O-N 2.97Å; V555-L557 VanDerWaalsContact C-N 3.31Å; V555-L557 PolarHBondContact O-N 3.23Å; L557-V559 PolarHBondContact O-N 3.15Å; L557-L560 PolarHBondContact O-N 2.74Å; L557-E561 WeakPolarHBondContact O-CG 3.36Å; L557-E561 PolarHBondContact O-N 3.36Å |
| 558 | I | 94.7 | Very high | 92 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 19% | 0.185 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.6 | -68.1 | 168.9 | 0 | 0 | 0 | 111.5 | L516 R554 V555 L560 E561 R562 | L516-I558 HydrophobicContact CD1-CD1 3.86Å; L516-I558 HydrophobicContact CD1-CG2 4.5Å; L516-I558 HydrophobicContact CD2-CG2 4.09Å; R554-I558 HydrophobicContact CG-CD1 4.17Å; R554-I558 WeakPolarHBondContact O-CG1 2.87Å; R554-I558 PolarHBondContact O-N 3.04Å; R554-I558 VanDerWaalsContact O-N 3.15Å; V555-I558 PolarHBondContact O-N 3.49Å; V555-I558 VanDerWaalsContact O-N 3.16Å; I558-L560 VanDerWaalsContact C-N 3.34Å; I558-E561 PolarHBondContact O-N 3.35Å; I558-R562 WeakPolarHBondContact O-CB 3.21Å; I558-R562 WeakPolarHBondContact O-CG 3.46Å; I558-R562 PolarHBondContact O-N 3.36Å |
| 559 | V | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 178.4 | 171 | 0 | 0 | 0 | 0 | 110.4 | V555 T556 L557 R562 L563 L589 T592 L593 | V555-V559 HydrophobicContact CG1-CG2 4.02Å; V555-V559 VanDerWaalsContact O-CG2 3.3Å; V555-V559 WeakPolarHBondContact O-CG2 3.43Å; V555-V559 PolarHBondContact O-N 2.98Å; T556-V559 PolarHBondContact O-N 3.18Å; L557-V559 PolarHBondContact O-N 3.15Å; V559-R562 PolarHBondContact O-N 3.34Å; V559-L563 WeakPolarHBondContact O-CB 3.15Å; V559-L563 PolarHBondContact O-N 2.84Å; V559-L589 HydrophobicContact CG1-CD2 4.07Å; V559-T592 HydrophobicContact CG2-CG2 3.59Å; V559-L593 HydrophobicContact CG1-CB 4.1Å; V559-L593 HydrophobicContact CG1-CD1 4.37Å |
| 560 | L | 91.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 174.7 | -72.6 | 172.6 | 0 | 0 | 0 | 112.3 | T556 L557 I558 R562 L563 E564 L593 V612 | T556-L560 HydrophobicContact CG2-CD1 4.27Å; T556-L560 WeakPolarHBondContact O-CG 3.38Å; T556-L560 PolarHBondContact O-N 3.43Å; L557-L560 PolarHBondContact O-N 2.74Å; I558-L560 VanDerWaalsContact C-N 3.34Å; L560-R562 VanDerWaalsContact C-N 3.33Å; L560-R562 PolarHBondContact O-N 3.01Å; L560-L563 PolarHBondContact O-N 3.3Å; L560-E564 WeakPolarHBondContact O-CG 3.46Å; L560-E564 PolarHBondContact O-N 3.24Å; L560-L593 HydrophobicContact CD2-CD1 3.94Å; L560-L593 HydrophobicContact CD2-CD2 4.12Å; L560-L593 HydrophobicContact CG-CD1 4.21Å; L560-V612 HydrophobicContact CD1-CG2 4.08Å; L560-V612 HydrophobicContact CD2-CB 4.37Å; L560-V612 HydrophobicContact CD2-CG2 3.76Å |
| 561 | E | 93 | Very high | 89.9 | Confident | 128 Ų | 128 | 48.4 Ų | 48.4 | 60% | 0.598 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.8 | -41.4 | 176.3 | -74 | 174.1 | -174.2 | 0 | 0 | 112.1 | L557 I558 S565 | L557-E561 WeakPolarHBondContact O-CG 3.36Å; L557-E561 PolarHBondContact O-N 3.36Å; I558-E561 PolarHBondContact O-N 3.35Å; E561-S565 WeakPolarHBondContact O-CB 3.41Å; E561-S565 PolarHBondContact O-N 3.08Å |
| 562 | R | 93.4 | Very high | 89.2 | Confident | 50 Ų | 50 | 53.3 Ų | 53.3 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 175.5 | -74 | 178.9 | 179.4 | -161.3 | 0.4 | 111.5 | L516 S519 S520 Y534 I558 V559 L560 S565 I566 L589 | L516-R562 PolarHBondContact O-NH2 3.22Å; S519-R562 PolarHBondContact OG-NH1 2.86Å; S520-R562 PolarHBondContact OG-NH2 3.1Å; Y534-R562 PolarHBondContact OH-NH1 3.2Å; I558-R562 WeakPolarHBondContact O-CB 3.21Å; I558-R562 WeakPolarHBondContact O-CG 3.46Å; I558-R562 PolarHBondContact O-N 3.36Å; V559-R562 PolarHBondContact O-N 3.34Å; L560-R562 VanDerWaalsContact C-N 3.33Å; L560-R562 PolarHBondContact O-N 3.01Å; R562-S565 WeakPolarHBondContact O-CB 3.37Å; R562-S565 PolarHBondContact O-N 3.22Å; R562-I566 VanDerWaalsContact O-CD1 3.31Å; R562-I566 WeakPolarHBondContact O-CD1 3.14Å; R562-I566 WeakPolarHBondContact O-CG1 3.3Å; R562-I566 PolarHBondContact O-N 2.86Å; R562-L589 HydrophobicContact CB-CD1 4.08Å; R562-L589 HydrophobicContact CB-CD2 3.95Å |
| 563 | L | 90.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 178.8 | -168.3 | 60.7 | 0 | 0 | 0 | 111.4 | V559 L560 S565 I566 I567 L589 L593 A615 M619 | V559-L563 WeakPolarHBondContact O-CB 3.15Å; V559-L563 PolarHBondContact O-N 2.84Å; L560-L563 PolarHBondContact O-N 3.3Å; L563-S565 VanDerWaalsContact C-N 3.34Å; L563-S565 PolarHBondContact O-N 3.1Å; L563-I566 PolarHBondContact O-N 3.14Å; L563-I567 HydrophobicContact CG-CD1 4.22Å; L563-I567 WeakPolarHBondContact O-CD1 3.42Å; L563-I567 VanDerWaalsContact O-CG1 3.28Å; L563-I567 WeakPolarHBondContact O-CG1 3.27Å; L563-I567 PolarHBondContact O-N 3.46Å; L563-L589 HydrophobicContact CB-CD1 4.45Å; L563-L589 HydrophobicContact CD1-CB 4.01Å; L563-L589 HydrophobicContact CD1-CD1 4.17Å; L563-L593 HydrophobicContact CD2-CD2 4.15Å; L563-A615 HydrophobicContact CD2-CB 3.76Å; L563-A615 HydrophobicContact CG-CB 4.23Å; L563-M619 HydrophobicContact CD1-CE 4.4Å; L563-M619 HydrophobicContact CD1-SD 3.63Å; L563-M619 HydrophobicContact CD2-SD 4.07Å; L563-M619 HydrophobicContact CG-SD 4.14Å |
| 564 | E | 88.7 | Confident | 87.9 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.3 | -72.7 | 177.4 | -172.7 | 0 | 0 | 111.9 | L560 I566 I567 G568 | L560-E564 WeakPolarHBondContact O-CG 3.46Å; L560-E564 PolarHBondContact O-N 3.24Å; E564-I566 VanDerWaalsContact C-N 3.35Å; E564-I566 PolarHBondContact O-N 2.97Å; E564-I567 PolarHBondContact O-N 3.32Å; E564-G568 PolarHBondContact O-N 3.13Å |
| 565 | S | 88.5 | Confident | 87.3 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 51% | 0.51 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 177.9 | -176 | 0 | 0 | 0 | 0 | 112.3 | E561 R562 L563 G568 L569 | E561-S565 WeakPolarHBondContact O-CB 3.41Å; E561-S565 PolarHBondContact O-N 3.08Å; R562-S565 WeakPolarHBondContact O-CB 3.37Å; R562-S565 PolarHBondContact O-N 3.22Å; L563-S565 VanDerWaalsContact C-N 3.34Å; L563-S565 PolarHBondContact O-N 3.1Å; S565-G568 PolarHBondContact O-N 3.08Å; S565-L569 WeakPolarHBondContact O-CG 3.29Å; S565-L569 PolarHBondContact O-N 2.98Å |
| 566 | I | 86 | Confident | 86.6 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.9 | -42.3 | -178.6 | -71.5 | 153.5 | 0 | 0 | 0 | 110.7 | R562 L563 E564 G568 L569 F582 L585 Q586 L589 | R562-I566 VanDerWaalsContact O-CD1 3.31Å; R562-I566 WeakPolarHBondContact O-CD1 3.14Å; R562-I566 WeakPolarHBondContact O-CG1 3.3Å; R562-I566 PolarHBondContact O-N 2.86Å; L563-I566 PolarHBondContact O-N 3.14Å; E564-I566 VanDerWaalsContact C-N 3.35Å; E564-I566 PolarHBondContact O-N 2.97Å; I566-G568 PolarHBondContact O-N 3.15Å; I566-G568 VanDerWaalsContact O-N 3.16Å; I566-L569 WeakPolarHBondContact O-CB 3.37Å; I566-L569 PolarHBondContact O-N 3.36Å; I566-F582 HydrophobicContact CG2-CD2 3.73Å; I566-F582 HydrophobicContact CG2-CE2 3.34Å; I566-F582 HydrophobicContact CG2-CZ 3.81Å; I566-F582 WeakPolarHBondContact O-CE2 3.39Å; I566-L585 HydrophobicContact CD1-CD1 4.31Å; I566-L585 HydrophobicContact CD1-CD2 3.33Å; I566-L585 HydrophobicContact CD1-CG 3.51Å; I566-L585 HydrophobicContact CG1-CD2 3.84Å; I566-L585 HydrophobicContact CG1-CG 4.46Å; I566-Q586 HydrophobicContact CG2-CG 3.94Å; I566-L589 HydrophobicContact CD1-CD1 3.11Å; I566-L589 HydrophobicContact CD1-CG 4.48Å |
| 567 | I | 81.7 | Confident | 86 | Confident | 30 Ų | 30 | 72 Ų | 72 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -54.2 | -37.4 | 174.1 | -68.4 | 162.3 | 0 | 0 | 0 | 110.7 | L563 E564 L569 A615 S618 M619 | L563-I567 HydrophobicContact CG-CD1 4.22Å; L563-I567 WeakPolarHBondContact O-CD1 3.42Å; L563-I567 VanDerWaalsContact O-CG1 3.28Å; L563-I567 WeakPolarHBondContact O-CG1 3.27Å; L563-I567 PolarHBondContact O-N 3.46Å; E564-I567 PolarHBondContact O-N 3.32Å; I567-L569 VanDerWaalsContact C-N 3.3Å; I567-L569 PolarHBondContact O-N 2.99Å; I567-A615 HydrophobicContact CD1-CB 4.15Å; I567-S618 VanDerWaalsContact CG2-OG 3.29Å; I567-S618 WeakPolarHBondContact CG2-OG 3.47Å; I567-M619 HydrophobicContact CD1-CG 4.01Å; I567-M619 HydrophobicContact CG1-CG 4.15Å |
| 568 | G | 82.6 | Confident | 85.5 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 55% | 0.546 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E564 S565 I566 | E564-G568 PolarHBondContact O-N 3.13Å; S565-G568 PolarHBondContact O-N 3.08Å; I566-G568 PolarHBondContact O-N 3.15Å; I566-G568 VanDerWaalsContact O-N 3.16Å |
| 569 | L | 83.9 | Confident | 85 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -7.8 | -178.5 | -68.2 | 173.5 | 0 | 0 | 0 | 113.8 | S565 I566 I567 N571 Q572 | S565-L569 WeakPolarHBondContact O-CG 3.29Å; S565-L569 PolarHBondContact O-N 2.98Å; I566-L569 WeakPolarHBondContact O-CB 3.37Å; I566-L569 PolarHBondContact O-N 3.36Å; I567-L569 VanDerWaalsContact C-N 3.3Å; I567-L569 PolarHBondContact O-N 2.99Å; L569-N571 PolarHBondContact O-N 3.08Å; L569-N571 VanDerWaalsContact O-N 3.15Å; L569-Q572 WeakPolarHBondContact O-CB 3.43Å; L569-Q572 PolarHBondContact O-N 3.47Å |
| 570 | E | 78 | Confident | 84.4 | Confident | 37 Ų | 37 | 74.3 Ų | 74.3 | 17% | 0.173 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -55.7 | -38.7 | -173.8 | -172.7 | 177.4 | -156.1 | 0 | 0 | 113.3 | Q572 I573 R579 F582 T622 | E570-Q572 PolarHBondContact O-N 3.38Å; E570-I573 HydrophobicContact CG-CD1 4.09Å; E570-I573 WeakPolarHBondContact O-CG1 3.45Å; E570-I573 PolarHBondContact O-N 3.04Å; E570-I573 VanDerWaalsContact O-N 3.15Å; E570-R579 IonicContact OE1-CZ 2.83Å; E570-R579 IonicContact OE1-NH1 2.74Å; E570-R579 PolarHBondContact OE1-NH1 3.48Å; E570-R579 IonicContact OE1-NH2 3.89Å; E570-F582 HydrophobicContact CB-CE2 4.18Å; E570-F582 HydrophobicContact CB-CZ 3.84Å; E570-F582 HydrophobicContact CG-CE1 4.44Å; E570-F582 HydrophobicContact CG-CZ 4.11Å; E570-T622 WeakPolarHBondContact OE1-CB 3.08Å; E570-T622 WeakPolarHBondContact OE2-CB 3.38Å; E570-T622 WeakPolarHBondContact OE2-CG2 3.28Å |
| 571 | N | 79.6 | Confident | 83.9 | Confident | 159 Ų | 159 | 79 Ų | 79 | 85% | 0.85 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -66 | -5.8 | 179.1 | -65.6 | -49.5 | 0 | 0 | 0 | 114 | L569 | L569-N571 PolarHBondContact O-N 3.08Å; L569-N571 VanDerWaalsContact O-N 3.15Å |
| 572 | Q | 82.2 | Confident | 83.6 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 64% | 0.64 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -101.6 | -2.6 | 179.6 | -54.4 | -178.3 | 15.6 | 0 | 0 | 113 | L569 E570 V574 | L569-Q572 WeakPolarHBondContact O-CB 3.43Å; L569-Q572 PolarHBondContact O-N 3.47Å; E570-Q572 PolarHBondContact O-N 3.38Å; Q572-V574 PolarHBondContact O-N 2.69Å |
| 573 | I | 80.1 | Confident | 83.2 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | trans | -70.2 | 120.5 | 178 | -60.4 | 172.9 | 0 | 0 | 0 | 109 | E570 D578 R579 F582 | E570-I573 HydrophobicContact CG-CD1 4.09Å; E570-I573 WeakPolarHBondContact O-CG1 3.45Å; E570-I573 PolarHBondContact O-N 3.04Å; E570-I573 VanDerWaalsContact O-N 3.15Å; I573-D578 HydrophobicContact CG2-CB 3.97Å; I573-R579 HydrophobicContact CG2-CB 3.77Å; I573-F582 HydrophobicContact CD1-CB 3.83Å; I573-F582 HydrophobicContact CD1-CD1 3.75Å; I573-F582 HydrophobicContact CD1-CD2 3.66Å; I573-F582 HydrophobicContact CD1-CE1 4.16Å; I573-F582 HydrophobicContact CD1-CE2 4.05Å; I573-F582 HydrophobicContact CD1-CG 3.48Å; I573-F582 VanDerWaalsContact CD1-CG 3.48Å; I573-F582 HydrophobicContact CD1-CZ 4.3Å; I573-F582 HydrophobicContact CG1-CD2 4.28Å; I573-F582 HydrophobicContact CG1-CG 4.4Å | ||
| 574 | V | 81.6 | Confident | 83 | Confident | 137 Ų | 137 | 75.8 Ų | 75.8 | 83% | 0.83 | 41% | 0.408 | S | S | * | . | trans | -111.1 | -41.3 | -177.8 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | Q572 | Q572-V574 PolarHBondContact O-N 2.69Š| ||
| 575 | S | 82.4 | Confident | 83 | Confident | 46 Ų | 46 | 73.1 Ų | 73.1 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -106.8 | 160.4 | -176.2 | 76 | 0 | 0 | 0 | 0 | 113 | Q577 D578 R579 | S575-Q577 PolarHBondContact O-N 3.49Å; S575-Q577 PolarHBondContact OG-N 2.94Å; S575-D578 WeakPolarHBondContact CB-OD2 3.39Å; S575-D578 PolarHBondContact N-OD2 3Å; S575-D578 PolarHBondContact O-N 3.06Å; S575-D578 PolarHBondContact OG-N 3.24Å; S575-D578 PolarHBondContact OG-OD1 3.37Å; S575-D578 PolarHBondContact OG-OD2 3.42Å; S575-R579 PolarHBondContact O-N 3.47Å; S575-R579 VanDerWaalsContact O-N 3.08Å |
| 576 | H | 80.6 | Confident | 83.1 | Confident | 160 Ų | 160 | 69.7 Ų | 69.7 | 74% | 0.741 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.5 | -33 | 171.2 | -74.8 | -78.2 | 0 | 0 | 0 | 112.4 | R579 A580 | H576-R579 PolarHBondContact O-N 3.2Å; H576-A580 PolarHBondContact O-N 2.71Å |
| 577 | Q | 80.5 | Confident | 83.3 | Confident | 150 Ų | 150 | 70.6 Ų | 70.6 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.7 | -40.5 | 175.9 | -70.4 | 179.8 | -14.3 | 0 | 0 | 111.7 | S575 R579 A580 Q581 | S575-Q577 PolarHBondContact O-N 3.49Å; S575-Q577 PolarHBondContact OG-N 2.94Å; Q577-R579 VanDerWaalsContact C-N 3.3Å; Q577-R579 PolarHBondContact O-N 3.45Å; Q577-A580 PolarHBondContact O-N 3.16Å; Q577-Q581 WeakPolarHBondContact O-CG 3.44Å; Q577-Q581 PolarHBondContact O-N 2.64Å |
| 578 | D | 82.3 | Confident | 83.8 | Confident | 69 Ų | 69 | 70 Ų | 70 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 175 | -57.6 | -40 | 0 | 0 | 0 | 110.9 | I573 S575 F582 | I573-D578 HydrophobicContact CG2-CB 3.97Å; S575-D578 WeakPolarHBondContact CB-OD2 3.39Å; S575-D578 PolarHBondContact N-OD2 3Å; S575-D578 PolarHBondContact O-N 3.06Å; S575-D578 PolarHBondContact OG-N 3.24Å; S575-D578 PolarHBondContact OG-OD1 3.37Å; S575-D578 PolarHBondContact OG-OD2 3.42Å; D578-F582 WeakPolarHBondContact O-CB 3.45Å; D578-F582 PolarHBondContact O-N 3.46Å |
| 579 | R | 83.5 | Confident | 84.4 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 23% | 0.226 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 177.1 | -174.6 | 58.6 | 148.9 | 179.7 | -9.1 | 111.7 | E570 I573 S575 H576 Q577 F582 N583 | E570-R579 IonicContact OE1-CZ 2.83Å; E570-R579 IonicContact OE1-NH1 2.74Å; E570-R579 PolarHBondContact OE1-NH1 3.48Å; E570-R579 IonicContact OE1-NH2 3.89Å; I573-R579 HydrophobicContact CG2-CB 3.77Å; S575-R579 PolarHBondContact O-N 3.47Å; S575-R579 VanDerWaalsContact O-N 3.08Å; H576-R579 PolarHBondContact O-N 3.2Å; Q577-R579 VanDerWaalsContact C-N 3.3Å; Q577-R579 PolarHBondContact O-N 3.45Å; R579-F582 WeakPolarHBondContact O-CB 3.49Å; R579-F582 PolarHBondContact O-N 3.08Å; R579-N583 WeakPolarHBondContact O-CB 3.33Å; R579-N583 PolarHBondContact O-N 3.4Å; R579-N583 PolarHBondContact O-ND2 2.88Å; R579-N583 PolarHBondContact O-OD1 2.82Å |
| 580 | A | 81.7 | Confident | 84.8 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H576 Q577 F582 N583 D584 | H576-A580 PolarHBondContact O-N 2.71Å; Q577-A580 PolarHBondContact O-N 3.16Å; A580-F582 VanDerWaalsContact C-N 3.27Å; A580-F582 PolarHBondContact O-N 3.41Å; A580-N583 PolarHBondContact O-N 3.37Å; A580-N583 VanDerWaalsContact O-N 3.16Å; A580-D584 VanDerWaalsContact O-CG 3.27Å; A580-D584 PolarHBondContact O-N 2.98Å |
| 581 | Q | 81.8 | Confident | 85.5 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 178 | -68.5 | -178.4 | 19.4 | 0 | 0 | 113.2 | Q577 L585 | Q577-Q581 WeakPolarHBondContact O-CG 3.44Å; Q577-Q581 PolarHBondContact O-N 2.64Å; Q581-L585 WeakPolarHBondContact O-CB 3.44Å; Q581-L585 PolarHBondContact O-N 2.97Å; Q581-L585 VanDerWaalsContact O-N 3.08Å |
| 582 | F | 85.4 | Confident | 86.3 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 9% | 0.088 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 174.6 | 177.7 | -87.6 | 0 | 0 | 0 | 111.5 | I566 E570 I573 D578 R579 A580 L585 Q586 | I566-F582 HydrophobicContact CG2-CD2 3.73Å; I566-F582 HydrophobicContact CG2-CE2 3.34Å; I566-F582 HydrophobicContact CG2-CZ 3.81Å; I566-F582 WeakPolarHBondContact O-CE2 3.39Å; E570-F582 HydrophobicContact CB-CE2 4.18Å; E570-F582 HydrophobicContact CB-CZ 3.84Å; E570-F582 HydrophobicContact CG-CE1 4.44Å; E570-F582 HydrophobicContact CG-CZ 4.11Å; I573-F582 HydrophobicContact CD1-CB 3.83Å; I573-F582 HydrophobicContact CD1-CD1 3.75Å; I573-F582 HydrophobicContact CD1-CD2 3.66Å; I573-F582 HydrophobicContact CD1-CE1 4.16Å; I573-F582 HydrophobicContact CD1-CE2 4.05Å; I573-F582 HydrophobicContact CD1-CG 3.48Å; I573-F582 VanDerWaalsContact CD1-CG 3.48Å; I573-F582 HydrophobicContact CD1-CZ 4.3Å; I573-F582 HydrophobicContact CG1-CD2 4.28Å; I573-F582 HydrophobicContact CG1-CG 4.4Å; D578-F582 WeakPolarHBondContact O-CB 3.45Å; D578-F582 PolarHBondContact O-N 3.46Å; R579-F582 WeakPolarHBondContact O-CB 3.49Å; R579-F582 PolarHBondContact O-N 3.08Å; A580-F582 VanDerWaalsContact C-N 3.27Å; A580-F582 PolarHBondContact O-N 3.41Å; F582-L585 PolarHBondContact O-N 3.47Å; F582-Q586 HydrophobicContact CD1-CG 4.36Å; F582-Q586 HydrophobicContact CE1-CG 4.07Å; F582-Q586 VanDerWaalsContact CE1-NE2 3.29Å; F582-Q586 HydrophobicContact CZ-CG 4.44Å; F582-Q586 WeakPolarHBondContact O-CG 3.49Å; F582-Q586 PolarHBondContact O-N 2.98Å |
| 583 | N | 85.7 | Confident | 86.8 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 178 | -69.5 | -12.1 | 0 | 0 | 0 | 110.7 | R579 A580 L585 Q586 S587 D648 V650 | R579-N583 WeakPolarHBondContact O-CB 3.33Å; R579-N583 PolarHBondContact O-N 3.4Å; R579-N583 PolarHBondContact O-ND2 2.88Å; R579-N583 PolarHBondContact O-OD1 2.82Å; A580-N583 PolarHBondContact O-N 3.37Å; A580-N583 VanDerWaalsContact O-N 3.16Å; N583-L585 VanDerWaalsContact C-N 3.33Å; N583-L585 PolarHBondContact O-N 3.46Å; N583-Q586 WeakPolarHBondContact O-CB 3.39Å; N583-Q586 PolarHBondContact O-N 3.16Å; N583-S587 PolarHBondContact O-N 2.89Å; N583-D648 HydrophobicContact CB-CB 4.37Å; N583-D648 PolarHBondContact ND2-OD2 2.95Å; N583-V650 HydrophobicContact CB-CG2 3.72Å; N583-V650 VanDerWaalsContact O-CG2 3.31Å; N583-V650 WeakPolarHBondContact O-CG2 3.22Å |
| 584 | D | 86.3 | Confident | 87.5 | Confident | 87 Ų | 87 | 47.7 Ų | 47.7 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 176 | -68.7 | -15.5 | 0 | 0 | 0 | 111.5 | A580 Q586 S587 L588 | A580-D584 VanDerWaalsContact O-CG 3.27Å; A580-D584 PolarHBondContact O-N 2.98Å; D584-Q586 VanDerWaalsContact C-N 3.34Å; D584-Q586 PolarHBondContact O-N 3.13Å; D584-S587 WeakPolarHBondContact O-CB 3.4Å; D584-S587 PolarHBondContact O-N 3.31Å; D584-L588 VanDerWaalsContact O-CG 3.27Å; D584-L588 WeakPolarHBondContact O-CG 3.42Å; D584-L588 PolarHBondContact O-N 3.18Å |
| 585 | L | 89.3 | Confident | 88.1 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -36.2 | 179.6 | -179.9 | 60.8 | 0 | 0 | 0 | 112.4 | Y534 I566 Q581 F582 N583 L589 | Y534-L585 HydrophobicContact CE2-CD1 3.81Å; I566-L585 HydrophobicContact CD1-CD1 4.31Å; I566-L585 HydrophobicContact CD1-CD2 3.33Å; I566-L585 HydrophobicContact CD1-CG 3.51Å; I566-L585 HydrophobicContact CG1-CD2 3.84Å; I566-L585 HydrophobicContact CG1-CG 4.46Å; Q581-L585 WeakPolarHBondContact O-CB 3.44Å; Q581-L585 PolarHBondContact O-N 2.97Å; Q581-L585 VanDerWaalsContact O-N 3.08Å; F582-L585 PolarHBondContact O-N 3.47Å; N583-L585 VanDerWaalsContact C-N 3.33Å; N583-L585 PolarHBondContact O-N 3.46Å; L585-L589 HydrophobicContact CD1-CD1 4.35Å; L585-L589 HydrophobicContact CD1-CG 4.4Å; L585-L589 HydrophobicContact CG-CD1 4.32Å; L585-L589 WeakPolarHBondContact O-CG 3.43Å; L585-L589 PolarHBondContact O-N 3.45Å; L585-L589 VanDerWaalsContact O-N 3.08Å |
| 586 | Q | 89.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 172.7 | -79.5 | -169.8 | -33.2 | 0 | 0 | 111.7 | I566 F582 N583 D584 L589 C590 M619 V650 | I566-Q586 HydrophobicContact CG2-CG 3.94Å; F582-Q586 HydrophobicContact CD1-CG 4.36Å; F582-Q586 HydrophobicContact CE1-CG 4.07Å; F582-Q586 VanDerWaalsContact CE1-NE2 3.29Å; F582-Q586 HydrophobicContact CZ-CG 4.44Å; F582-Q586 WeakPolarHBondContact O-CG 3.49Å; F582-Q586 PolarHBondContact O-N 2.98Å; N583-Q586 WeakPolarHBondContact O-CB 3.39Å; N583-Q586 PolarHBondContact O-N 3.16Å; D584-Q586 VanDerWaalsContact C-N 3.34Å; D584-Q586 PolarHBondContact O-N 3.13Å; Q586-L589 PolarHBondContact O-N 3.46Å; Q586-C590 PolarHBondContact O-N 3.15Å; Q586-M619 HydrophobicContact CB-CE 3.75Å; Q586-M619 HydrophobicContact CG-CE 4.1Å; Q586-V650 HydrophobicContact CB-CG1 3.93Å; Q586-V650 HydrophobicContact CB-CG2 4.11Å |
| 587 | S | 90.5 | Very high | 89.4 | Confident | 33 Ų | 33 | 31.6 Ų | 31.6 | 23% | 0.231 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.2 | -51 | 174.7 | 164.9 | 0 | 0 | 0 | 0 | 111.5 | N583 D584 L589 C590 G591 D653 | N583-S587 PolarHBondContact O-N 2.89Å; D584-S587 WeakPolarHBondContact O-CB 3.4Å; D584-S587 PolarHBondContact O-N 3.31Å; S587-L589 VanDerWaalsContact C-N 3.32Å; S587-L589 PolarHBondContact O-N 3.27Å; S587-C590 PolarHBondContact O-N 3.44Å; S587-C590 VanDerWaalsContact O-N 3.12Å; S587-G591 PolarHBondContact O-N 3.26Å; S587-D653 WeakPolarHBondContact CB-OD2 3.33Å; S587-D653 PolarHBondContact OG-OD2 3.46Å |
| 588 | L | 93.1 | Very high | 90 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 9% | 0.089 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -39.3 | 179 | -66.3 | 169 | 0 | 0 | 0 | 113 | R530 N531 Y534 M538 D584 T592 | R530-L588 HydrophobicContact CG-CD1 4.13Å; N531-L588 HydrophobicContact CB-CD2 4.22Å; N531-L588 VanDerWaalsContact OD1-CD1 3.3Å; N531-L588 WeakPolarHBondContact OD1-CD1 3.25Å; Y534-L588 HydrophobicContact CD2-CB 3.87Å; Y534-L588 HydrophobicContact CD2-CD1 3.77Å; Y534-L588 HydrophobicContact CD2-CG 4.33Å; Y534-L588 HydrophobicContact CE2-CB 4.43Å; Y534-L588 HydrophobicContact CE2-CD1 4.41Å; Y534-L588 HydrophobicContact CG-CB 3.99Å; M538-L588 HydrophobicContact CE-CD2 4.33Å; M538-L588 VanDerWaalsContact CE-O 3.29Å; M538-L588 WeakPolarHBondContact CE-O 3.49Å; D584-L588 VanDerWaalsContact O-CG 3.27Å; D584-L588 WeakPolarHBondContact O-CG 3.42Å; D584-L588 PolarHBondContact O-N 3.18Å; L588-T592 WeakPolarHBondContact O-CB 3.43Å; L588-T592 PolarHBondContact O-N 3.44Å; L588-T592 PolarHBondContact O-OG1 3.25Å |
| 589 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.9 | -37.9 | 177.2 | -72.8 | 171.5 | 0 | 0 | 0 | 112 | Y534 V559 R562 L563 I566 L585 Q586 S587 T592 L593 | Y534-L589 HydrophobicContact CE1-CD2 3.78Å; V559-L589 HydrophobicContact CG1-CD2 4.07Å; R562-L589 HydrophobicContact CB-CD1 4.08Å; R562-L589 HydrophobicContact CB-CD2 3.95Å; L563-L589 HydrophobicContact CB-CD1 4.45Å; L563-L589 HydrophobicContact CD1-CB 4.01Å; L563-L589 HydrophobicContact CD1-CD1 4.17Å; I566-L589 HydrophobicContact CD1-CD1 3.11Å; I566-L589 HydrophobicContact CD1-CG 4.48Å; L585-L589 HydrophobicContact CD1-CD1 4.35Å; L585-L589 HydrophobicContact CD1-CG 4.4Å; L585-L589 HydrophobicContact CG-CD1 4.32Å; L585-L589 WeakPolarHBondContact O-CG 3.43Å; L585-L589 PolarHBondContact O-N 3.45Å; L585-L589 VanDerWaalsContact O-N 3.08Å; Q586-L589 PolarHBondContact O-N 3.46Å; S587-L589 VanDerWaalsContact C-N 3.32Å; S587-L589 PolarHBondContact O-N 3.27Å; L589-T592 PolarHBondContact O-N 3.08Å; L589-L593 VanDerWaalsContact O-CB 3.24Å; L589-L593 WeakPolarHBondContact O-CB 3.26Å; L589-L593 PolarHBondContact O-N 3.34Å |
| 590 | C | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 172.7 | -80.5 | 0 | 0 | 0 | 0 | 112 | Q586 S587 T592 L593 Q594 M619 D653 | Q586-C590 PolarHBondContact O-N 3.15Å; S587-C590 PolarHBondContact O-N 3.44Å; S587-C590 VanDerWaalsContact O-N 3.12Å; C590-T592 VanDerWaalsContact C-N 3.33Å; C590-T592 PolarHBondContact O-N 3.33Å; C590-L593 WeakPolarHBondContact O-CB 3.14Å; C590-L593 PolarHBondContact O-N 3.03Å; C590-Q594 WeakPolarHBondContact O-CB 3.13Å; C590-Q594 PolarHBondContact O-N 3.33Å; C590-M619 WeakPolarHBondContact SG-CE 3.25Å; C590-D653 HydrophobicContact CB-CB 3.59Å |
| 591 | G | 93.4 | Very high | 91.3 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S587 Q594 S595 | S587-G591 PolarHBondContact O-N 3.26Å; G591-Q594 PolarHBondContact O-N 2.96Å; G591-S595 PolarHBondContact O-N 2.89Å; G591-S595 VanDerWaalsContact O-N 3.09Å; G591-S595 PolarHBondContact O-OG 3.19Å |
| 592 | T | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66 | -43 | 172.6 | -50.5 | 0 | 0 | 0 | 0 | 111.4 | Y534 L537 V559 L588 L589 C590 Q594 S595 V596 | Y534-T592 WeakPolarHBondContact CD1-OG1 3.19Å; L537-T592 HydrophobicContact CD2-CG2 3.94Å; L537-T592 HydrophobicContact CG-CG2 4.3Å; V559-T592 HydrophobicContact CG2-CG2 3.59Å; L588-T592 WeakPolarHBondContact O-CB 3.43Å; L588-T592 PolarHBondContact O-N 3.44Å; L588-T592 PolarHBondContact O-OG1 3.25Å; L589-T592 PolarHBondContact O-N 3.08Å; C590-T592 VanDerWaalsContact C-N 3.33Å; C590-T592 PolarHBondContact O-N 3.33Å; T592-Q594 VanDerWaalsContact C-N 3.35Å; T592-Q594 PolarHBondContact O-N 2.94Å; T592-S595 PolarHBondContact O-N 3.34Å; T592-V596 PolarHBondContact O-N 2.93Å |
| 593 | L | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 178 | -170.1 | 58.1 | 0 | 0 | 0 | 111.3 | V559 L560 L563 L589 C590 S595 V596 L597 V612 | V559-L593 HydrophobicContact CG1-CB 4.1Å; V559-L593 HydrophobicContact CG1-CD1 4.37Å; L560-L593 HydrophobicContact CD2-CD1 3.94Å; L560-L593 HydrophobicContact CD2-CD2 4.12Å; L560-L593 HydrophobicContact CG-CD1 4.21Å; L563-L593 HydrophobicContact CD2-CD2 4.15Å; L589-L593 VanDerWaalsContact O-CB 3.24Å; L589-L593 WeakPolarHBondContact O-CB 3.26Å; L589-L593 PolarHBondContact O-N 3.34Å; C590-L593 WeakPolarHBondContact O-CB 3.14Å; C590-L593 PolarHBondContact O-N 3.03Å; L593-S595 VanDerWaalsContact C-N 3.34Å; L593-S595 PolarHBondContact O-N 3.2Å; L593-V596 HydrophobicContact CD1-CG2 4.09Å; L593-V596 WeakPolarHBondContact O-CG2 3.38Å; L593-V596 PolarHBondContact O-N 3.47Å; L593-L597 HydrophobicContact CD1-CD1 4.28Å; L593-L597 HydrophobicContact CD1-CG 4.22Å; L593-L597 HydrophobicContact CG-CD1 3.87Å; L593-L597 HydrophobicContact CG-CG 4.28Å; L593-L597 VanDerWaalsContact O-CB 3.28Å; L593-L597 WeakPolarHBondContact O-CB 3.24Å; L593-L597 WeakPolarHBondContact O-CG 3.41Å; L593-L597 PolarHBondContact O-N 3.24Å; L593-V612 HydrophobicContact CD2-CG1 3.99Å |
| 594 | Q | 94.2 | Very high | 92.2 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.6 | -47.2 | 173.1 | -169.5 | -162.1 | 23.6 | 0 | 0 | 111.2 | C590 G591 T592 V596 L597 R598 A660 | C590-Q594 WeakPolarHBondContact O-CB 3.13Å; C590-Q594 PolarHBondContact O-N 3.33Å; G591-Q594 PolarHBondContact O-N 2.96Å; T592-Q594 VanDerWaalsContact C-N 3.35Å; T592-Q594 PolarHBondContact O-N 2.94Å; Q594-V596 PolarHBondContact O-N 3.33Å; Q594-L597 PolarHBondContact O-N 3.42Å; Q594-R598 WeakPolarHBondContact O-CG 3.29Å; Q594-R598 PolarHBondContact O-N 2.89Å; Q594-A660 HydrophobicContact CB-CB 4.44Å; Q594-A660 HydrophobicContact CG-CB 3.71Å |
| 595 | S | 94.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | -178.4 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | G591 T592 L593 | G591-S595 PolarHBondContact O-N 2.89Å; G591-S595 VanDerWaalsContact O-N 3.09Å; G591-S595 PolarHBondContact O-OG 3.19Å; T592-S595 PolarHBondContact O-N 3.34Å; L593-S595 VanDerWaalsContact C-N 3.34Å; L593-S595 PolarHBondContact O-N 3.2Å |
| 596 | V | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.7 | -38 | 176.9 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | M541 V552 V555 T556 T592 L593 Q594 R598 K599 I600 | M541-V596 HydrophobicContact CB-CG1 4Å; M541-V596 HydrophobicContact CG-CG1 3.55Å; M541-V596 HydrophobicContact SD-CG1 3.89Å; V552-V596 HydrophobicContact CG1-CB 4.27Å; V555-V596 HydrophobicContact CG1-CG1 4.08Å; T556-V596 HydrophobicContact CG2-CG2 4.06Å; T556-V596 VanDerWaalsContact OG1-CB 3.32Å; T556-V596 WeakPolarHBondContact OG1-CB 3.39Å; T556-V596 WeakPolarHBondContact OG1-CG2 3.21Å; T592-V596 PolarHBondContact O-N 2.93Å; L593-V596 HydrophobicContact CD1-CG2 4.09Å; L593-V596 WeakPolarHBondContact O-CG2 3.38Å; L593-V596 PolarHBondContact O-N 3.47Å; Q594-V596 PolarHBondContact O-N 3.33Å; V596-R598 VanDerWaalsContact C-N 3.28Å; V596-R598 PolarHBondContact O-N 3.25Å; V596-K599 CarbonylContact O-C 3.38Å; V596-K599 WeakPolarHBondContact O-CA 3.23Å; V596-K599 WeakPolarHBondContact O-CB 3.36Å; V596-K599 PolarHBondContact O-N 3.25Å; V596-I600 WeakPolarHBondContact O-CG1 3.49Å; V596-I600 PolarHBondContact O-N 3.3Å |
| 597 | L | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -35.8 | -179 | -77.3 | 172.4 | 0 | 0 | 0 | 112.2 | L593 Q594 K599 I600 I608 V612 A660 L661 A664 | L593-L597 HydrophobicContact CD1-CD1 4.28Å; L593-L597 HydrophobicContact CD1-CG 4.22Å; L593-L597 HydrophobicContact CG-CD1 3.87Å; L593-L597 HydrophobicContact CG-CG 4.28Å; L593-L597 VanDerWaalsContact O-CB 3.28Å; L593-L597 WeakPolarHBondContact O-CB 3.24Å; L593-L597 WeakPolarHBondContact O-CG 3.41Å; L593-L597 PolarHBondContact O-N 3.24Å; Q594-L597 PolarHBondContact O-N 3.42Å; L597-K599 PolarHBondContact O-N 3.42Å; L597-I600 PolarHBondContact O-N 2.6Å; L597-I608 HydrophobicContact CD2-CD1 3.91Å; L597-V612 HydrophobicContact CD1-CG1 4.14Å; L597-V612 HydrophobicContact CD2-CG2 4.33Å; L597-A660 HydrophobicContact CB-CB 3.99Å; L597-A660 HydrophobicContact CD1-CB 4.48Å; L597-L661 HydrophobicContact CD1-CB 4.08Å; L597-L661 HydrophobicContact CD1-CD1 4.34Å; L597-L661 HydrophobicContact CD2-CD1 3.94Å; L597-A664 WeakPolarHBondContact O-CB 3.44Å |
| 598 | R | 92.9 | Very high | 92.6 | Very high | 131 Ų | 131 | 39.4 Ų | 39.4 | 49% | 0.494 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.9 | 173.2 | -71.2 | -178.9 | -173.3 | -103.6 | 7.2 | 113.6 | Q594 V596 A660 E663 | Q594-R598 WeakPolarHBondContact O-CG 3.29Å; Q594-R598 PolarHBondContact O-N 2.89Å; V596-R598 VanDerWaalsContact C-N 3.28Å; V596-R598 PolarHBondContact O-N 3.25Å; R598-A660 HydrophobicContact CG-CB 4.1Å; R598-E663 IonicContact NH1-OE2 3.53Å |
| 599 | K | 92.5 | Very high | 92.6 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -15.7 | 179.1 | -72.6 | -71.8 | -173.2 | 173.3 | 0 | 114.1 | Y486 E498 M541 R542 A544 Y549 V552 V596 L597 | Y486-K599 PolarHBondContact OH-NZ 3.23Å; E498-K599 IonicContact OE1-NZ 3.25Å; E498-K599 PolarHBondContact OE1-NZ 3.16Å; M541-K599 WeakPolarHBondContact O-CG 3.21Å; R542-K599 WeakPolarHBondContact O-CE 3.4Å; R542-K599 PolarHBondContact O-NZ 3.1Å; R542-K599 VanDerWaalsContact O-NZ 3.13Å; A544-K599 PolarHBondContact O-NZ 3.44Å; A544-K599 VanDerWaalsContact O-NZ 3.08Å; Y549-K599 WeakPolarHBondContact CE2-O 3.49Å; V552-K599 HydrophobicContact CG1-CB 3.85Å; V596-K599 CarbonylContact O-C 3.38Å; V596-K599 WeakPolarHBondContact O-CA 3.23Å; V596-K599 WeakPolarHBondContact O-CB 3.36Å; V596-K599 PolarHBondContact O-N 3.25Å; L597-K599 PolarHBondContact O-N 3.42Å |
| 600 | I | 93 | Very high | 92.6 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -66.9 | 134.2 | 176.1 | -70.7 | -68.1 | 0 | 0 | 0 | 109.3 | V552 Q553 T556 V596 L597 D604 A605 I608 | V552-I600 HydrophobicContact CG1-CD1 4.29Å; Q553-I600 HydrophobicContact CG-CD1 4.29Å; T556-I600 HydrophobicContact CG2-CD1 4.49Å; V596-I600 WeakPolarHBondContact O-CG1 3.49Å; V596-I600 PolarHBondContact O-N 3.3Å; L597-I600 PolarHBondContact O-N 2.6Å; I600-D604 HydrophobicContact CG2-CB 4Å; I600-A605 HydrophobicContact CG2-CB 3.93Å; I600-I608 HydrophobicContact CD1-CD1 4.5Å; I600-I608 HydrophobicContact CG1-CD1 4.11Å; I600-I608 HydrophobicContact CG2-CD1 4.18Å |
| 601 | S | 90.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 48 Ų | 48 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | trans | -65.3 | 151.4 | 178.4 | 76.5 | 0 | 0 | 0 | 0 | 111.1 | Y549 E603 D604 A605 | Y549-S601 VanDerWaalsContact OH-CB 3.31Å; Y549-S601 WeakPolarHBondContact OH-CB 3.39Å; Y549-S601 PolarHBondContact OH-N 2.96Å; Y549-S601 PolarHBondContact OH-OG 3.48Å; S601-E603 PolarHBondContact O-N 3.38Å; S601-E603 VanDerWaalsContact O-N 3.08Å; S601-D604 PolarHBondContact O-N 2.88Å; S601-D604 VanDerWaalsContact O-N 3.11Å; S601-D604 PolarHBondContact OG-N 3.41Å; S601-D604 PolarHBondContact OG-OD2 3.08Å; S601-A605 PolarHBondContact O-N 2.98Å | ||
| 602 | K | 88.4 | Confident | 92.5 | Very high | 168 Ų | 168 | 47.7 Ų | 47.7 | 73% | 0.73 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.8 | 175.2 | -64 | -172.6 | 177.4 | -174 | 0 | 113.3 | P606 | K602-P606 WeakPolarHBondContact O-CD 3.28Š|
| 603 | E | 89.6 | Confident | 92.5 | Very high | 178 Ų | 178 | 48 Ų | 48 | 83% | 0.832 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -38.9 | 178.2 | -63.2 | 179.6 | -175.3 | 0 | 0 | 111.7 | S601 | S601-E603 PolarHBondContact O-N 3.38Å; S601-E603 VanDerWaalsContact O-N 3.08Å |
| 604 | D | 92 | Very high | 92.3 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -27.7 | -178.4 | -71 | -28.1 | 0 | 0 | 0 | 113.3 | Y549 Q553 I600 S601 P606 A607 | Y549-D604 VanDerWaalsContact CE1-OD2 3.28Å; Y549-D604 WeakPolarHBondContact CE1-OD2 3.5Å; Y549-D604 VanDerWaalsContact CZ-OD2 3.32Å; Y549-D604 PolarHBondContact OH-OD2 3.37Å; Q553-D604 PolarHBondContact NE2-OD2 3.01Å; I600-D604 HydrophobicContact CG2-CB 4Å; S601-D604 PolarHBondContact O-N 2.88Å; S601-D604 VanDerWaalsContact O-N 3.11Å; S601-D604 PolarHBondContact OG-N 3.41Å; S601-D604 PolarHBondContact OG-OD2 3.08Å; D604-P606 VanDerWaalsContact C-CD 3.46Å; D604-P606 VanDerWaalsContact C-N 3.34Å; D604-A607 WeakPolarHBondContact O-CB 3.28Å; D604-A607 PolarHBondContact O-N 2.99Å |
| 605 | A | 91.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -51.5 | -44.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I600 S601 A607 I608 S609 A664 V665 | I600-A605 HydrophobicContact CG2-CB 3.93Å; S601-A605 PolarHBondContact O-N 2.98Å; A605-A607 PolarHBondContact O-N 3.34Å; A605-I608 VanDerWaalsContact O-CG1 3.32Å; A605-I608 WeakPolarHBondContact O-CG1 3.48Å; A605-I608 PolarHBondContact O-N 3.5Å; A605-S609 WeakPolarHBondContact O-CB 3.44Å; A605-S609 PolarHBondContact O-N 3.29Å; A605-A664 HydrophobicContact CB-CB 3.97Å; A605-A664 WeakPolarHBondContact CB-O 3.28Å; A605-V665 HydrophobicContact CB-CG2 3.99Å |
| 606 | P | 90.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 31% | 0.312 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -23.6 | 177.7 | -24.1 | 35.8 | 0 | 0 | 0 | 114.8 | K602 D604 S609 | K602-P606 WeakPolarHBondContact O-CD 3.28Å; D604-P606 VanDerWaalsContact C-CD 3.46Å; D604-P606 VanDerWaalsContact C-N 3.34Å; P606-S609 PolarHBondContact O-OG 3.08Å |
| 607 | A | 90.7 | Very high | 91.6 | Very high | 85 Ų | 85 | 53.5 Ų | 53.5 | 70% | 0.702 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -76.4 | -26 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D604 A605 | D604-A607 WeakPolarHBondContact O-CB 3.28Å; D604-A607 PolarHBondContact O-N 2.99Å; A605-A607 PolarHBondContact O-N 3.34Å |
| 608 | I | 91.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -103.4 | -17.7 | 178.5 | 60.6 | 169.9 | 0 | 0 | 0 | 112.9 | T556 L597 I600 A605 D610 K611 V612 | T556-I608 HydrophobicContact CG2-CD1 3.74Å; L597-I608 HydrophobicContact CD2-CD1 3.91Å; I600-I608 HydrophobicContact CD1-CD1 4.5Å; I600-I608 HydrophobicContact CG1-CD1 4.11Å; I600-I608 HydrophobicContact CG2-CD1 4.18Å; A605-I608 VanDerWaalsContact O-CG1 3.32Å; A605-I608 WeakPolarHBondContact O-CG1 3.48Å; A605-I608 PolarHBondContact O-N 3.5Å; I608-D610 VanDerWaalsContact C-N 3.29Å; I608-D610 PolarHBondContact O-N 3.41Å; I608-K611 PolarHBondContact O-N 3.48Å; I608-K611 VanDerWaalsContact O-N 3.07Å; I608-V612 HydrophobicContact CG1-CG2 4.49Å; I608-V612 WeakPolarHBondContact O-CG2 3.39Å; I608-V612 PolarHBondContact O-N 2.77Å; I608-V612 VanDerWaalsContact O-N 3.07Å |
| 609 | S | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59 | -35.6 | -169.8 | 68.1 | 0 | 0 | 0 | 0 | 113.8 | A605 P606 M613 Y672 | A605-S609 WeakPolarHBondContact O-CB 3.44Å; A605-S609 PolarHBondContact O-N 3.29Å; P606-S609 PolarHBondContact O-OG 3.08Å; S609-M613 VanDerWaalsContact O-CB 3.32Å; S609-M613 WeakPolarHBondContact O-CB 3.33Å; S609-M613 PolarHBondContact O-N 3.42Å; S609-Y672 VanDerWaalsContact CB-OH 3.29Å; S609-Y672 WeakPolarHBondContact CB-OH 3.3Å; S609-Y672 PolarHBondContact O-OH 3.47Å; S609-Y672 PolarHBondContact OG-OH 3.13Å |
| 610 | D | 93.8 | Very high | 90.2 | Very high | 82 Ų | 82 | 48 Ų | 48 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 178.4 | -70.8 | -25.9 | 0 | 0 | 0 | 111.4 | I608 L614 K671 Y672 | I608-D610 VanDerWaalsContact C-N 3.29Å; I608-D610 PolarHBondContact O-N 3.41Å; D610-L614 WeakPolarHBondContact O-CB 3.35Å; D610-L614 WeakPolarHBondContact O-CG 3.27Å; D610-L614 PolarHBondContact O-N 3.19Å; D610-K671 IonicContact OD1-NZ 3.95Å; D610-K671 PolarHBondContact OD1-NZ 3.09Å; D610-K671 IonicContact OD2-NZ 3.24Å; D610-Y672 WeakPolarHBondContact CA-OH 3.22Å; D610-Y672 PolarHBondContact N-OH 3.01Å; D610-Y672 VanDerWaalsContact OD1-CE1 3.29Å; D610-Y672 WeakPolarHBondContact OD1-CE1 3.47Å; D610-Y672 VanDerWaalsContact OD1-CZ 3.29Å; D610-Y672 PolarHBondContact OD1-OH 3.09Å |
| 611 | K | 91.6 | Very high | 89.4 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68 | -45.3 | 178.3 | -66.7 | -173.4 | 177.6 | -173.2 | 0 | 111.6 | I608 M613 L614 A615 | I608-K611 PolarHBondContact O-N 3.48Å; I608-K611 VanDerWaalsContact O-N 3.07Å; K611-M613 VanDerWaalsContact C-N 3.34Å; K611-M613 PolarHBondContact O-N 3Å; K611-L614 PolarHBondContact O-N 3.38Å; K611-A615 PolarHBondContact O-N 2.88Å |
| 612 | V | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.1 | -51.4 | 176.1 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | L560 L593 L597 I608 L614 A615 L616 L661 | L560-V612 HydrophobicContact CD1-CG2 4.08Å; L560-V612 HydrophobicContact CD2-CB 4.37Å; L560-V612 HydrophobicContact CD2-CG2 3.76Å; L593-V612 HydrophobicContact CD2-CG1 3.99Å; L597-V612 HydrophobicContact CD1-CG1 4.14Å; L597-V612 HydrophobicContact CD2-CG2 4.33Å; I608-V612 HydrophobicContact CG1-CG2 4.49Å; I608-V612 WeakPolarHBondContact O-CG2 3.39Å; I608-V612 PolarHBondContact O-N 2.77Å; I608-V612 VanDerWaalsContact O-N 3.07Å; V612-L614 PolarHBondContact O-N 2.94Å; V612-A615 PolarHBondContact O-N 3.42Å; V612-L616 HydrophobicContact CG1-CD1 3.72Å; V612-L616 HydrophobicContact CG1-CG 4.32Å; V612-L616 WeakPolarHBondContact O-CG 3.36Å; V612-L616 PolarHBondContact O-N 3.41Å; V612-L661 HydrophobicContact CB-CD1 4.34Å; V612-L661 HydrophobicContact CB-CD2 4.16Å; V612-L661 HydrophobicContact CG1-CD1 4.15Å; V612-L661 HydrophobicContact CG1-CD2 3.75Å; V612-L661 HydrophobicContact CG1-CG 4.4Å |
| 613 | M | 94.1 | Very high | 86.9 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | -177.7 | -163.7 | 70 | -154.7 | 0 | 0 | 111.5 | S609 K611 A615 L616 M617 L661 F669 Y672 F676 | S609-M613 VanDerWaalsContact O-CB 3.32Å; S609-M613 WeakPolarHBondContact O-CB 3.33Å; S609-M613 PolarHBondContact O-N 3.42Å; K611-M613 VanDerWaalsContact C-N 3.34Å; K611-M613 PolarHBondContact O-N 3Å; M613-A615 VanDerWaalsContact C-N 3.34Å; M613-A615 PolarHBondContact O-N 3.1Å; M613-L616 PolarHBondContact O-N 3.4Å; M613-M617 HydrophobicContact CE-CG 3.62Å; M613-M617 HydrophobicContact CE-SD 3.42Å; M613-M617 WeakPolarHBondContact CE-SD 3.33Å; M613-M617 HydrophobicContact CG-CG 4.02Å; M613-M617 WeakPolarHBondContact O-CB 3.45Å; M613-M617 WeakPolarHBondContact O-CG 3.27Å; M613-M617 PolarHBondContact O-N 2.72Å; M613-L661 HydrophobicContact CB-CD2 4.5Å; M613-L661 HydrophobicContact SD-CD2 4.32Å; M613-F669 HydrophobicContact SD-CE2 4.2Å; M613-F669 HydrophobicContact SD-CZ 4.31Å; M613-Y672 HydrophobicContact CB-CD1 4.09Å; M613-Y672 HydrophobicContact CB-CE1 3.98Å; M613-Y672 HydrophobicContact CB-CG 4.5Å; M613-Y672 HydrophobicContact CG-CD1 3.74Å; M613-Y672 HydrophobicContact CG-CE1 4.17Å; M613-Y672 HydrophobicContact CG-CG 3.95Å; M613-Y672 HydrophobicContact SD-CG 4.4Å; M613-F676 HydrophobicContact CE-CB 3.73Å; M613-F676 HydrophobicContact CE-CD2 3.33Å; M613-F676 HydrophobicContact CE-CE2 4.1Å; M613-F676 HydrophobicContact CE-CG 3.64Å |
| 614 | L | 91.8 | Very high | 85 | Confident | 129 Ų | 129 | 40.5 Ų | 40.5 | 68% | 0.675 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.7 | -43.8 | 175.9 | -75.3 | 169.4 | 0 | 0 | 0 | 112.2 | D610 K611 V612 S618 | D610-L614 WeakPolarHBondContact O-CB 3.35Å; D610-L614 WeakPolarHBondContact O-CG 3.27Å; D610-L614 PolarHBondContact O-N 3.19Å; K611-L614 PolarHBondContact O-N 3.38Å; V612-L614 PolarHBondContact O-N 2.94Å; L614-S618 WeakPolarHBondContact O-CB 3.3Å; L614-S618 PolarHBondContact O-N 2.64Å |
| 615 | A | 88.7 | Confident | 82.6 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -50.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L563 I567 K611 V612 M613 M617 S618 M619 | L563-A615 HydrophobicContact CD2-CB 3.76Å; L563-A615 HydrophobicContact CG-CB 4.23Å; I567-A615 HydrophobicContact CD1-CB 4.15Å; K611-A615 PolarHBondContact O-N 2.88Å; V612-A615 PolarHBondContact O-N 3.42Å; M613-A615 VanDerWaalsContact C-N 3.34Å; M613-A615 PolarHBondContact O-N 3.1Å; A615-M617 PolarHBondContact O-N 2.91Å; A615-S618 WeakPolarHBondContact O-CB 3.32Å; A615-S618 PolarHBondContact O-N 3.48Å; A615-S618 VanDerWaalsContact O-N 3.17Å; A615-M619 WeakPolarHBondContact O-CG 3.33Å; A615-M619 PolarHBondContact O-N 2.84Å; A615-M619 VanDerWaalsContact O-N 3.12Å |
| 616 | L | 90.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 179 | -65.6 | 174.4 | 0 | 0 | 0 | 111.9 | V612 M613 S618 M619 F620 A654 A657 V658 | V612-L616 HydrophobicContact CG1-CD1 3.72Å; V612-L616 HydrophobicContact CG1-CG 4.32Å; V612-L616 WeakPolarHBondContact O-CG 3.36Å; V612-L616 PolarHBondContact O-N 3.41Å; M613-L616 PolarHBondContact O-N 3.4Å; L616-S618 VanDerWaalsContact C-N 3.28Å; L616-S618 PolarHBondContact O-N 3.11Å; L616-M619 HydrophobicContact CD2-SD 4.34Å; L616-M619 WeakPolarHBondContact O-CB 3.38Å; L616-M619 PolarHBondContact O-N 3.09Å; L616-F620 HydrophobicContact CB-CE2 4.47Å; L616-F620 WeakPolarHBondContact O-CD2 3.47Å; L616-F620 PolarHBondContact O-N 3.02Å; L616-F620 VanDerWaalsContact O-N 3.07Å; L616-A654 HydrophobicContact CD2-CB 4.3Å; L616-A657 HydrophobicContact CD1-CB 4.11Å; L616-A657 HydrophobicContact CD2-CB 4.01Å; L616-V658 HydrophobicContact CB-CG2 4.46Å; L616-V658 HydrophobicContact CD1-CG2 3.7Å |
| 617 | M | 88.8 | Confident | 77.3 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 175.4 | -72.6 | -68 | -69.3 | 0 | 0 | 112.2 | M613 A615 R621 D675 F676 I679 | M613-M617 HydrophobicContact CE-CG 3.62Å; M613-M617 HydrophobicContact CE-SD 3.42Å; M613-M617 WeakPolarHBondContact CE-SD 3.33Å; M613-M617 HydrophobicContact CG-CG 4.02Å; M613-M617 WeakPolarHBondContact O-CB 3.45Å; M613-M617 WeakPolarHBondContact O-CG 3.27Å; M613-M617 PolarHBondContact O-N 2.72Å; A615-M617 PolarHBondContact O-N 2.91Å; M617-R621 VanDerWaalsContact O-CG 3.31Å; M617-R621 WeakPolarHBondContact O-CG 3.43Å; M617-R621 PolarHBondContact O-N 3.04Å; M617-D675 HydrophobicContact CE-CB 4.47Å; M617-D675 VanDerWaalsContact CE-O 3.3Å; M617-D675 WeakPolarHBondContact CE-O 3.09Å; M617-F676 HydrophobicContact SD-CB 4.38Å; M617-F676 HydrophobicContact SD-CD2 3.81Å; M617-I679 HydrophobicContact CE-CD1 3.38Å; M617-I679 HydrophobicContact SD-CD1 3.36Å; M617-I679 WeakPolarHBondContact SD-CD1 3.42Å |
| 618 | S | 84.4 | Confident | 74.5 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 175.9 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | I567 L614 A615 L616 F620 R621 T622 | I567-S618 VanDerWaalsContact CG2-OG 3.29Å; I567-S618 WeakPolarHBondContact CG2-OG 3.47Å; L614-S618 WeakPolarHBondContact O-CB 3.3Å; L614-S618 PolarHBondContact O-N 2.64Å; A615-S618 WeakPolarHBondContact O-CB 3.32Å; A615-S618 PolarHBondContact O-N 3.48Å; A615-S618 VanDerWaalsContact O-N 3.17Å; L616-S618 VanDerWaalsContact C-N 3.28Å; L616-S618 PolarHBondContact O-N 3.11Å; S618-F620 PolarHBondContact O-N 3.18Å; S618-R621 PolarHBondContact O-N 3.21Å; S618-R621 VanDerWaalsContact O-N 3.16Å; S618-T622 WeakPolarHBondContact O-CG2 3.4Å; S618-T622 PolarHBondContact O-N 2.9Å; S618-T622 PolarHBondContact O-OG1 3.49Å; S618-T622 VanDerWaalsContact O-OG1 3.09Å |
| 619 | M | 83.2 | Confident | 71.4 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 178.8 | -65.8 | 173.3 | 63.1 | 0 | 0 | 112.7 | L563 I567 Q586 C590 A615 L616 R621 T622 T623 V650 | L563-M619 HydrophobicContact CD1-CE 4.4Å; L563-M619 HydrophobicContact CD1-SD 3.63Å; L563-M619 HydrophobicContact CD2-SD 4.07Å; L563-M619 HydrophobicContact CG-SD 4.14Å; I567-M619 HydrophobicContact CD1-CG 4.01Å; I567-M619 HydrophobicContact CG1-CG 4.15Å; Q586-M619 HydrophobicContact CB-CE 3.75Å; Q586-M619 HydrophobicContact CG-CE 4.1Å; C590-M619 WeakPolarHBondContact SG-CE 3.25Å; A615-M619 WeakPolarHBondContact O-CG 3.33Å; A615-M619 PolarHBondContact O-N 2.84Å; A615-M619 VanDerWaalsContact O-N 3.12Å; L616-M619 HydrophobicContact CD2-SD 4.34Å; L616-M619 WeakPolarHBondContact O-CB 3.38Å; L616-M619 PolarHBondContact O-N 3.09Å; M619-R621 VanDerWaalsContact C-N 3.3Å; M619-R621 PolarHBondContact O-N 3.27Å; M619-T622 WeakPolarHBondContact CA-OG1 3.48Å; M619-T622 PolarHBondContact O-N 2.89Å; M619-T622 PolarHBondContact O-OG1 3.48Å; M619-T623 PolarHBondContact O-N 3.26Å; M619-T623 PolarHBondContact O-OG1 3.45Å; M619-T623 VanDerWaalsContact O-OG1 3.08Å; M619-V650 HydrophobicContact CE-CG1 3.34Å |
| 620 | F | 83.5 | Confident | 68.3 | Low | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 176.4 | -73.2 | -61.9 | 0 | 0 | 0 | 112.3 | L616 S618 T624 Q651 A654 L655 V658 F676 I679 | L616-F620 HydrophobicContact CB-CE2 4.47Å; L616-F620 WeakPolarHBondContact O-CD2 3.47Å; L616-F620 PolarHBondContact O-N 3.02Å; L616-F620 VanDerWaalsContact O-N 3.07Å; S618-F620 PolarHBondContact O-N 3.18Å; F620-T624 WeakPolarHBondContact O-CG2 3.33Å; F620-Q651 HydrophobicContact CD1-CG 4.45Å; F620-Q651 HydrophobicContact CE1-CB 4.32Å; F620-A654 HydrophobicContact CE1-CB 3.76Å; F620-A654 HydrophobicContact CE2-CB 3.99Å; F620-A654 HydrophobicContact CZ-CB 3.43Å; F620-A654 VanDerWaalsContact CZ-CB 3.43Å; F620-L655 HydrophobicContact CE1-CD2 4.22Å; F620-L655 HydrophobicContact CE1-CG 4.04Å; F620-L655 HydrophobicContact CZ-CD2 3.91Å; F620-L655 HydrophobicContact CZ-CG 3.94Å; F620-V658 HydrophobicContact CE2-CG2 4.15Å; F620-F676 HydrophobicContact CD2-CE2 4.32Å; F620-F676 AromaticContact CE2-CE2 3.9Å; F620-F676 HydrophobicContact CE2-CE2 3.9Å; F620-F676 HydrophobicContact CZ-CE2 4.5Å; F620-I679 HydrophobicContact CB-CD1 3.85Å; F620-I679 HydrophobicContact CB-CG1 4.41Å; F620-I679 HydrophobicContact CB-CG2 3.78Å; F620-I679 HydrophobicContact CD1-CG2 3.82Å; F620-I679 HydrophobicContact CD2-CD1 4.35Å; F620-I679 HydrophobicContact CD2-CG2 3.9Å; F620-I679 HydrophobicContact CE1-CG2 4.36Å; F620-I679 HydrophobicContact CE2-CG2 4.44Å; F620-I679 HydrophobicContact CG-CD1 4.39Å; F620-I679 HydrophobicContact CG-CG2 3.57Å |
| 621 | R | 75.9 | Confident | 65.2 | Low | 162 Ų | 162 | 62 Ų | 62 | 61% | 0.611 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.5 | -40.1 | -179.3 | -72.8 | 176.2 | -175.2 | -151.3 | 2 | 112.3 | M617 S618 M619 T623 T624 | M617-R621 VanDerWaalsContact O-CG 3.31Å; M617-R621 WeakPolarHBondContact O-CG 3.43Å; M617-R621 PolarHBondContact O-N 3.04Å; S618-R621 PolarHBondContact O-N 3.21Å; S618-R621 VanDerWaalsContact O-N 3.16Å; M619-R621 VanDerWaalsContact C-N 3.3Å; M619-R621 PolarHBondContact O-N 3.27Å; R621-T623 VanDerWaalsContact C-N 3.26Å; R621-T623 PolarHBondContact O-N 3.05Å; R621-T624 PolarHBondContact O-N 2.89Å; R621-T624 VanDerWaalsContact O-N 3.16Å; R621-T624 PolarHBondContact O-OG1 3.35Å |
| 622 | T | 65.5 | Low | 62.2 | Low | 22 Ų | 22 | 59.5 Ų | 59.5 | 14% | 0.135 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.3 | -35.2 | -178.4 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | E570 S618 M619 T624 T625 | E570-T622 WeakPolarHBondContact OE1-CB 3.08Å; E570-T622 WeakPolarHBondContact OE2-CB 3.38Å; E570-T622 WeakPolarHBondContact OE2-CG2 3.28Å; S618-T622 WeakPolarHBondContact O-CG2 3.4Å; S618-T622 PolarHBondContact O-N 2.9Å; S618-T622 PolarHBondContact O-OG1 3.49Å; S618-T622 VanDerWaalsContact O-OG1 3.09Å; M619-T622 WeakPolarHBondContact CA-OG1 3.48Å; M619-T622 PolarHBondContact O-N 2.89Å; M619-T622 PolarHBondContact O-OG1 3.48Å; T622-T624 VanDerWaalsContact C-N 3.35Å; T622-T624 PolarHBondContact O-N 3.5Å; T622-T625 PolarHBondContact O-OG1 3.05Å |
| 623 | T | 59.7 | Low | 59.2 | Low | 6 Ų | 6 | 65.2 Ų | 65.2 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -11.3 | 178.2 | -43.3 | 0 | 0 | 0 | 0 | 114 | M619 R621 F646 Q651 | M619-T623 PolarHBondContact O-N 3.26Å; M619-T623 PolarHBondContact O-OG1 3.45Å; M619-T623 VanDerWaalsContact O-OG1 3.08Å; R621-T623 VanDerWaalsContact C-N 3.26Å; R621-T623 PolarHBondContact O-N 3.05Å; T623-F646 HydrophobicContact CG2-CD1 4.36Å; T623-Q651 HydrophobicContact CG2-CG 4.39Å |
| 624 | T | 51.2 | Low | 56.4 | Low | 51 Ų | 51 | 70.9 Ų | 70.9 | 31% | 0.313 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 0 | -179.1 | 57.4 | 0 | 0 | 0 | 0 | 115 | F620 R621 T622 F646 | F620-T624 WeakPolarHBondContact O-CG2 3.33Å; R621-T624 PolarHBondContact O-N 2.89Å; R621-T624 VanDerWaalsContact O-N 3.16Å; R621-T624 PolarHBondContact O-OG1 3.35Å; T622-T624 VanDerWaalsContact C-N 3.35Å; T622-T624 PolarHBondContact O-N 3.5Å; T624-F646 HydrophobicContact CG2-CE1 3.59Å; T624-F646 HydrophobicContact CG2-CZ 4.25Å |
| 625 | T | 41.7 | Very low | 53.6 | Low | 87 Ų | 87 | 69.5 Ų | 69.5 | 53% | 0.534 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -80.2 | 131.4 | -175.1 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | T622 V627 | T622-T625 PolarHBondContact O-OG1 3.05Å; T625-V627 PolarHBondContact O-N 3.26Å |
| 626 | P | 34.2 | Very low | 50.8 | Low | 80 Ų | 80 | 75.5 Ų | 75.5 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | trans | -65.3 | 119.1 | -179.9 | -15.6 | 28 | 0 | 0 | 0 | 110.6 | T628 K643 | P626-T628 PolarHBondContact O-N 3.37Å; P626-T628 VanDerWaalsContact O-N 3.08Å; P626-K643 WeakPolarHBondContact CB-O 3.48Å | ||
| 627 | V | 36.8 | Very low | 48 | Very low | 115 Ų | 115 | 81 Ų | 81 | 70% | 0.697 | 49% | 0.489 | S | S | * | . | trans | -63.6 | 112.4 | 169.8 | -176 | 0 | 0 | 0 | 0 | 108.3 | T625 E629 | T625-V627 PolarHBondContact O-N 3.26Å; V627-E629 PolarHBondContact O-N 2.89Å | ||
| 628 | T | 30.5 | Very low | 45.3 | Very low | 128 Ų | 128 | 86.3 Ų | 86.3 | 79% | 0.785 | 52% | 0.517 | S | S | * | . | trans | -67.6 | 112.2 | 172.3 | 45 | 0 | 0 | 0 | 0 | 110 | P626 G630 | P626-T628 PolarHBondContact O-N 3.37Å; P626-T628 VanDerWaalsContact O-N 3.08Å; T628-G630 PolarHBondContact O-N 3.07Å | ||
| 629 | E | 27.8 | Very low | 42.7 | Very low | 170 Ų | 170 | 88.2 Ų | 88.2 | 79% | 0.794 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 21.3 | 92 | 152 | -70.4 | 169.3 | -164.1 | 0 | 0 | 116 | V627 K643 | V627-E629 PolarHBondContact O-N 2.89Å; E629-K643 IonicContact OE1-NZ 3.88Å; E629-K643 PolarHBondContact OE1-NZ 3.36Å |
| 630 | G | 27.8 | Very low | 40.3 | Very low | 71 Ų | 71 | 95 Ų | 95 | 73% | 0.732 | 57% | 0.574 | S | S | * | * | trans | 176.9 | 44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | T628 | T628-G630 PolarHBondContact O-N 3.07Š| ||
| 631 | S | 29.4 | Very low | 37.7 | Very low | 93 Ų | 93 | 100.6 Ų | 100.6 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | trans | -169 | 132.4 | 160 | 30.6 | 0 | 0 | 0 | 0 | 109.5 | D633 | S631-D633 PolarHBondContact O-N 3.41Å; S631-D633 VanDerWaalsContact O-N 3.12Å | ||
| 632 | G | 28 | Very low | 35.8 | Very low | 62 Ų | 62 | 99.6 Ų | 99.6 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | trans | -87.8 | 74.4 | -163 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 633 | D | 30.5 | Very low | 34.3 | Very low | 120 Ų | 120 | 104.9 Ų | 104.9 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | trans | -86.7 | 118 | 168 | -111.8 | -14.4 | 0 | 0 | 0 | 110.5 | S631 S635 K645 | S631-D633 PolarHBondContact O-N 3.41Å; S631-D633 VanDerWaalsContact O-N 3.12Å; D633-S635 PolarHBondContact O-N 3.43Å; D633-K645 IonicContact OD2-NZ 3.66Å | ||
| 634 | Q | 34 | Very low | 33.4 | Very low | 125 Ų | 125 | 108.2 Ų | 108.2 | 58% | 0.584 | 66% | 0.658 | S | S | * | * | trans | -80.5 | 58.9 | -176.7 | -68.8 | -179.8 | -1.5 | 0 | 0 | 112.4 | ||||
| 635 | S | 33.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 113 Ų | 113 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | trans | -125.8 | 61.8 | 170.6 | 71.8 | 0 | 0 | 0 | 0 | 110.6 | D633 | D633-S635 PolarHBondContact O-N 3.43Š| ||
| 636 | V | 30.1 | Very low | 33.6 | Very low | 130 Ų | 130 | 110.2 Ų | 110.2 | 79% | 0.788 | 66% | 0.655 | S | S | * | * | trans | -129.7 | 73.8 | 171.3 | -168.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 637 | V | 32.4 | Very low | 34.3 | Very low | 117 Ų | 117 | 107.8 Ų | 107.8 | 71% | 0.709 | 64% | 0.64 | S | S | * | * | trans | -120.3 | 112.8 | 158.2 | -176.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 638 | N | 32 | Very low | 35.3 | Very low | 129 Ų | 129 | 107.1 Ų | 107.1 | 69% | 0.69 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 97.6 | 74.8 | 179 | -47.3 | -27 | 0 | 0 | 0 | 116.6 | E640 | N638-E640 VanDerWaalsContact C-N 3.31Å; N638-E640 PolarHBondContact O-N 3.08Å |
| 639 | G | 29.4 | Very low | 36.9 | Very low | 79 Ų | 79 | 102.8 Ų | 102.8 | 81% | 0.814 | 61% | 0.613 | S | S | * | * | 63.7 | -5.1 | 126.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 640 | E | 32.3 | Very low | 39.3 | Very low | 144 Ų | 144 | 94.9 Ų | 94.9 | 67% | 0.673 | 58% | 0.576 | S | S | * | * | trans | -101.9 | 98.9 | -177.8 | -74 | -179.1 | 174.6 | 0 | 0 | 112.2 | N638 D642 R688 | N638-E640 VanDerWaalsContact C-N 3.31Å; N638-E640 PolarHBondContact O-N 3.08Å; E640-D642 PolarHBondContact O-N 3.27Å; E640-R688 IonicContact OE2-CZ 2.93Å; E640-R688 IonicContact OE2-NH2 3.66Å; E640-R688 PolarHBondContact OE2-NH2 2.91Å | ||
| 641 | T | 28.4 | Very low | 41.9 | Very low | 121 Ų | 121 | 91.9 Ų | 91.9 | 74% | 0.742 | 54% | 0.543 | S | S | * | . | trans | -81.1 | 73.2 | 170.2 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 642 | D | 36.5 | Very low | 44.7 | Very low | 141 Ų | 141 | 90 Ų | 90 | 75% | 0.754 | 52% | 0.524 | S | S | * | . | trans | -111.9 | 93.7 | 163.8 | -97.2 | -24.2 | 0 | 0 | 0 | 110.1 | E640 T644 | E640-D642 PolarHBondContact O-N 3.27Å; D642-T644 PolarHBondContact O-N 3.16Å | ||
| 643 | K | 35 | Very low | 47.6 | Very low | 133 Ų | 133 | 88.9 Ų | 88.9 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | trans | -80.5 | 48.6 | -173.4 | -66.7 | -170.1 | 177.9 | -169.3 | 0 | 113 | P626 E629 | P626-K643 WeakPolarHBondContact CB-O 3.48Å; E629-K643 IonicContact OE1-NZ 3.88Å; E629-K643 PolarHBondContact OE1-NZ 3.36Å | ||
| 644 | T | 40 | Very low | 50.5 | Low | 76 Ų | 76 | 83.1 Ų | 83.1 | 47% | 0.466 | 47% | 0.473 | S | S | . | . | trans | -126.1 | 80.5 | 170.9 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | D642 F646 | D642-T644 PolarHBondContact O-N 3.16Å; T644-F646 PolarHBondContact O-N 3.08Å | ||
| 645 | K | 45 | Very low | 53.4 | Low | 151 Ų | 151 | 77.2 Ų | 77.2 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | trans | -72.4 | 107.1 | 164.9 | -92.5 | -172.7 | 172.3 | -172.6 | 0 | 107.6 | D633 | D633-K645 IonicContact OD2-NZ 3.66Š| ||
| 646 | F | 51.1 | Low | 56.2 | Low | 29 Ų | 29 | 74.9 Ų | 74.9 | 13% | 0.127 | 43% | 0.425 | C | S | . | . | trans | -70.9 | 124.6 | 161.1 | -69.1 | -72.5 | 0 | 0 | 0 | 107.6 | T623 T624 T644 Q651 I682 N686 | T623-F646 HydrophobicContact CG2-CD1 4.36Å; T624-F646 HydrophobicContact CG2-CE1 3.59Å; T624-F646 HydrophobicContact CG2-CZ 4.25Å; T644-F646 PolarHBondContact O-N 3.08Å; F646-Q651 VanDerWaalsContact CD1-CD 3.49Å; F646-I682 HydrophobicContact CE1-CG2 4.03Å; F646-I682 HydrophobicContact CE2-CG2 4.11Å; F646-I682 HydrophobicContact CZ-CG2 3.28Å; F646-N686 HydrophobicContact CD2-CB 4.48Å; F646-N686 WeakPolarHBondContact CD2-ND2 3.43Å; F646-N686 HydrophobicContact CE2-CB 4.33Å | ||
| 647 | S | 50.7 | Low | 59.3 | Low | 29 Ų | 29 | 68.7 Ų | 68.7 | 20% | 0.203 | 39% | 0.387 | C | S | . | . | trans | -88.5 | 136.9 | 176.4 | 71 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 648 | D | 57 | Low | 62.3 | Low | 100 Ų | 100 | 63.1 Ų | 63.1 | 54% | 0.535 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 33.1 | 102.4 | 157.5 | -42.2 | -29.6 | 0 | 0 | 0 | 116.7 | N583 V650 | N583-D648 HydrophobicContact CB-CB 4.37Å; N583-D648 PolarHBondContact ND2-OD2 2.95Å; D648-V650 WeakPolarHBondContact O-CG2 3.48Å; D648-V650 PolarHBondContact O-N 3.37Å |
| 649 | G | 63.4 | Low | 65.4 | Low | 38 Ų | 38 | 57.3 Ų | 57.3 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 53 | -32.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | Q651 E652 | G649-Q651 PolarHBondContact O-N 3.16Å; G649-E652 VanDerWaalsContact O-CB 3.22Å; G649-E652 WeakPolarHBondContact O-CB 3.19Å; G649-E652 WeakPolarHBondContact O-CG 3.27Å; G649-E652 PolarHBondContact O-N 3.2Å |
| 650 | V | 79.5 | Confident | 68.5 | Low | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.3 | -32.3 | -171.5 | 175.7 | 0 | 0 | 0 | 0 | 112.6 | N583 Q586 M619 D648 E652 A654 | N583-V650 HydrophobicContact CB-CG2 3.72Å; N583-V650 VanDerWaalsContact O-CG2 3.31Å; N583-V650 WeakPolarHBondContact O-CG2 3.22Å; Q586-V650 HydrophobicContact CB-CG1 3.93Å; Q586-V650 HydrophobicContact CB-CG2 4.11Å; M619-V650 HydrophobicContact CE-CG1 3.34Å; D648-V650 WeakPolarHBondContact O-CG2 3.48Å; D648-V650 PolarHBondContact O-N 3.37Å; V650-E652 VanDerWaalsContact C-N 3.25Å; V650-E652 PolarHBondContact O-N 2.99Å; V650-A654 VanDerWaalsContact O-CB 3.26Å; V650-A654 WeakPolarHBondContact O-CB 3.28Å; V650-A654 PolarHBondContact O-N 3.2Å |
| 651 | Q | 81.8 | Confident | 71.5 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -31.7 | 178.1 | -61.3 | -167.1 | -37 | 0 | 0 | 112.3 | F620 T623 F646 G649 L655 V692 | F620-Q651 HydrophobicContact CD1-CG 4.45Å; F620-Q651 HydrophobicContact CE1-CB 4.32Å; T623-Q651 HydrophobicContact CG2-CG 4.39Å; F646-Q651 VanDerWaalsContact CD1-CD 3.49Å; G649-Q651 PolarHBondContact O-N 3.16Å; Q651-L655 WeakPolarHBondContact O-CB 3.39Å; Q651-L655 WeakPolarHBondContact O-CG 3.29Å; Q651-L655 PolarHBondContact O-N 2.93Å; Q651-V692 HydrophobicContact CB-CG1 4.24Å; Q651-V692 HydrophobicContact CB-CG2 4.08Å |
| 652 | E | 87.6 | Confident | 74.7 | Confident | 52 Ų | 52 | 40.9 Ų | 40.9 | 24% | 0.243 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -52.7 | 179.6 | -59.4 | 176.2 | -163 | 0 | 0 | 110.2 | G649 V650 L655 L656 Q691 V692 N695 | G649-E652 VanDerWaalsContact O-CB 3.22Å; G649-E652 WeakPolarHBondContact O-CB 3.19Å; G649-E652 WeakPolarHBondContact O-CG 3.27Å; G649-E652 PolarHBondContact O-N 3.2Å; V650-E652 VanDerWaalsContact C-N 3.25Å; V650-E652 PolarHBondContact O-N 2.99Å; E652-L655 PolarHBondContact O-N 3.38Å; E652-L656 WeakPolarHBondContact O-CG 3.39Å; E652-L656 PolarHBondContact O-N 3.44Å; E652-L656 VanDerWaalsContact O-N 3.07Å; E652-Q691 VanDerWaalsContact CD-CG 3.41Å; E652-Q691 HydrophobicContact CG-CB 4.33Å; E652-Q691 HydrophobicContact CG-CG 4.09Å; E652-Q691 WeakPolarHBondContact OE1-CB 3.45Å; E652-Q691 WeakPolarHBondContact OE2-CG 3.44Å; E652-V692 HydrophobicContact CG-CG2 3.64Å; E652-N695 WeakPolarHBondContact CB-ND2 3.2Å; E652-N695 PolarHBondContact O-ND2 2.82Å |
| 653 | D | 88.9 | Confident | 77.4 | Confident | 39 Ų | 39 | 38 Ų | 38 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.2 | -36.1 | 177.9 | -66.5 | -63.7 | 0 | 0 | 0 | 112.5 | S587 C590 L656 A657 | S587-D653 WeakPolarHBondContact CB-OD2 3.33Å; S587-D653 PolarHBondContact OG-OD2 3.46Å; C590-D653 HydrophobicContact CB-CB 3.59Å; D653-L656 PolarHBondContact O-N 2.78Å; D653-A657 WeakPolarHBondContact O-CB 3.49Å; D653-A657 PolarHBondContact O-N 3.2Å |
| 654 | A | 91.7 | Very high | 80.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L616 F620 V650 A657 V658 | L616-A654 HydrophobicContact CD2-CB 4.3Å; F620-A654 HydrophobicContact CE1-CB 3.76Å; F620-A654 HydrophobicContact CE2-CB 3.99Å; F620-A654 HydrophobicContact CZ-CB 3.43Å; F620-A654 VanDerWaalsContact CZ-CB 3.43Å; V650-A654 VanDerWaalsContact O-CB 3.26Å; V650-A654 WeakPolarHBondContact O-CB 3.28Å; V650-A654 PolarHBondContact O-N 3.2Å; A654-A657 PolarHBondContact O-N 2.98Å; A654-V658 WeakPolarHBondContact O-CG2 3.34Å; A654-V658 PolarHBondContact O-N 2.81Å |
| 655 | L | 94.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 175 | -73.7 | 167.8 | 0 | 0 | 0 | 111.3 | F620 Q651 E652 A657 V658 S659 F676 C683 V692 N695 A696 L699 | F620-L655 HydrophobicContact CE1-CD2 4.22Å; F620-L655 HydrophobicContact CE1-CG 4.04Å; F620-L655 HydrophobicContact CZ-CD2 3.91Å; F620-L655 HydrophobicContact CZ-CG 3.94Å; Q651-L655 WeakPolarHBondContact O-CB 3.39Å; Q651-L655 WeakPolarHBondContact O-CG 3.29Å; Q651-L655 PolarHBondContact O-N 2.93Å; E652-L655 PolarHBondContact O-N 3.38Å; L655-A657 VanDerWaalsContact C-N 3.31Å; L655-A657 PolarHBondContact O-N 2.89Å; L655-V658 WeakPolarHBondContact O-CB 3.47Å; L655-V658 PolarHBondContact O-N 2.55Å; L655-V658 VanDerWaalsContact O-N 3.12Å; L655-S659 PolarHBondContact O-N 3.5Å; L655-F676 HydrophobicContact CD2-CZ 4.2Å; L655-C683 HydrophobicContact CD1-CB 4.21Å; L655-V692 HydrophobicContact CD1-CG1 4.02Å; L655-V692 WeakPolarHBondContact CD1-O 3.22Å; L655-N695 HydrophobicContact CB-CB 4.08Å; L655-N695 HydrophobicContact CD1-CB 4.01Å; L655-A696 HydrophobicContact CD1-CB 4.12Å; L655-L699 HydrophobicContact CD2-CD2 3.75Å |
| 656 | L | 94.1 | Very high | 85 | Confident | 53 Ų | 53 | 22.8 Ų | 22.8 | 28% | 0.277 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.5 | -35.4 | 176.3 | -70.9 | 177.3 | 0 | 0 | 0 | 112.8 | E652 D653 S659 A660 | E652-L656 WeakPolarHBondContact O-CG 3.39Å; E652-L656 PolarHBondContact O-N 3.44Å; E652-L656 VanDerWaalsContact O-N 3.07Å; D653-L656 PolarHBondContact O-N 2.78Å; L656-S659 WeakPolarHBondContact O-CB 3.42Å; L656-S659 PolarHBondContact O-N 3.28Å; L656-A660 PolarHBondContact O-N 3.49Å; L656-A660 VanDerWaalsContact O-N 3.08Å |
| 657 | A | 94.3 | Very high | 87 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -37 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L616 D653 A654 L655 A660 L661 | L616-A657 HydrophobicContact CD1-CB 4.11Å; L616-A657 HydrophobicContact CD2-CB 4.01Å; D653-A657 WeakPolarHBondContact O-CB 3.49Å; D653-A657 PolarHBondContact O-N 3.2Å; A654-A657 PolarHBondContact O-N 2.98Å; L655-A657 VanDerWaalsContact C-N 3.31Å; L655-A657 PolarHBondContact O-N 2.89Å; A657-A660 PolarHBondContact O-N 2.66Å; A657-L661 PolarHBondContact O-N 3.29Å |
| 658 | V | 96.1 | Very high | 89 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 171.1 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | L616 F620 A654 L655 A660 L661 V662 F669 F676 L699 | L616-V658 HydrophobicContact CB-CG2 4.46Å; L616-V658 HydrophobicContact CD1-CG2 3.7Å; F620-V658 HydrophobicContact CE2-CG2 4.15Å; A654-V658 WeakPolarHBondContact O-CG2 3.34Å; A654-V658 PolarHBondContact O-N 2.81Å; L655-V658 WeakPolarHBondContact O-CB 3.47Å; L655-V658 PolarHBondContact O-N 2.55Å; L655-V658 VanDerWaalsContact O-N 3.12Å; V658-A660 PolarHBondContact O-N 2.98Å; V658-L661 WeakPolarHBondContact O-CA 3.46Å; V658-L661 WeakPolarHBondContact O-CB 3.5Å; V658-L661 PolarHBondContact O-N 3.26Å; V658-L661 VanDerWaalsContact O-N 3.08Å; V658-V662 HydrophobicContact CG1-CG2 4.25Å; V658-V662 WeakPolarHBondContact O-CG2 3.32Å; V658-V662 PolarHBondContact O-N 2.86Å; V658-F669 HydrophobicContact CG1-CE2 4.19Å; V658-F669 HydrophobicContact CG1-CZ 3.84Å; V658-F676 HydrophobicContact CB-CZ 4.43Å; V658-F676 HydrophobicContact CG1-CE1 4.04Å; V658-F676 HydrophobicContact CG1-CZ 3.98Å; V658-F676 HydrophobicContact CG2-CE2 4.18Å; V658-F676 HydrophobicContact CG2-CZ 4.2Å; V658-L699 HydrophobicContact CB-CD1 4.37Å; V658-L699 HydrophobicContact CB-CD2 4.02Å; V658-L699 HydrophobicContact CG1-CD1 3.91Å; V658-L699 HydrophobicContact CG1-CD2 3.85Å |
| 659 | S | 95.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.1 | -48.2 | 175 | -83.3 | 0 | 0 | 0 | 0 | 111.7 | L655 L656 L661 V662 E663 L699 D702 | L655-S659 PolarHBondContact O-N 3.5Å; L656-S659 WeakPolarHBondContact O-CB 3.42Å; L656-S659 PolarHBondContact O-N 3.28Å; S659-L661 VanDerWaalsContact C-N 3.28Å; S659-L661 PolarHBondContact O-N 3.23Å; S659-V662 WeakPolarHBondContact O-CB 3.37Å; S659-V662 PolarHBondContact O-N 3.37Å; S659-V662 VanDerWaalsContact O-N 3.16Å; S659-E663 PolarHBondContact O-N 3.26Å; S659-L699 WeakPolarHBondContact OG-CA 3.16Å; S659-L699 WeakPolarHBondContact OG-CD1 3.44Å; S659-D702 VanDerWaalsContact CB-OD2 3.23Å; S659-D702 WeakPolarHBondContact CB-OD2 3.45Å; S659-D702 PolarHBondContact OG-OD2 3.19Å |
| 660 | A | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.9 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q594 L597 R598 L656 A657 V658 A664 | Q594-A660 HydrophobicContact CB-CB 4.44Å; Q594-A660 HydrophobicContact CG-CB 3.71Å; L597-A660 HydrophobicContact CB-CB 3.99Å; L597-A660 HydrophobicContact CD1-CB 4.48Å; R598-A660 HydrophobicContact CG-CB 4.1Å; L656-A660 PolarHBondContact O-N 3.49Å; L656-A660 VanDerWaalsContact O-N 3.08Å; A657-A660 PolarHBondContact O-N 2.66Å; V658-A660 PolarHBondContact O-N 2.98Å; A660-A664 WeakPolarHBondContact O-CB 3.33Å; A660-A664 PolarHBondContact O-N 3.32Å |
| 661 | L | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.2 | -40.3 | 174.8 | -173.5 | 66 | 0 | 0 | 0 | 112.2 | L597 V612 M613 A657 V658 S659 A664 V665 F669 | L597-L661 HydrophobicContact CD1-CB 4.08Å; L597-L661 HydrophobicContact CD1-CD1 4.34Å; L597-L661 HydrophobicContact CD2-CD1 3.94Å; V612-L661 HydrophobicContact CB-CD1 4.34Å; V612-L661 HydrophobicContact CB-CD2 4.16Å; V612-L661 HydrophobicContact CG1-CD1 4.15Å; V612-L661 HydrophobicContact CG1-CD2 3.75Å; V612-L661 HydrophobicContact CG1-CG 4.4Å; M613-L661 HydrophobicContact CB-CD2 4.5Å; M613-L661 HydrophobicContact SD-CD2 4.32Å; A657-L661 PolarHBondContact O-N 3.29Å; V658-L661 WeakPolarHBondContact O-CA 3.46Å; V658-L661 WeakPolarHBondContact O-CB 3.5Å; V658-L661 PolarHBondContact O-N 3.26Å; V658-L661 VanDerWaalsContact O-N 3.08Å; S659-L661 VanDerWaalsContact C-N 3.28Å; S659-L661 PolarHBondContact O-N 3.23Å; L661-A664 PolarHBondContact O-N 3.13Å; L661-V665 HydrophobicContact CD1-CG2 3.58Å; L661-V665 HydrophobicContact CG-CG2 4Å; L661-V665 VanDerWaalsContact O-CB 3.31Å; L661-V665 WeakPolarHBondContact O-CB 3.45Å; L661-V665 VanDerWaalsContact O-CG2 3.31Å; L661-V665 WeakPolarHBondContact O-CG2 3.3Å; L661-V665 PolarHBondContact O-N 3.29Å; L661-F669 HydrophobicContact CD2-CE2 4.14Å; L661-F669 HydrophobicContact CG-CD2 4.48Å; L661-F669 HydrophobicContact CG-CE2 4.43Å |
| 662 | V | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 110.1 | V658 S659 G666 F669 L699 M703 V706 | V658-V662 HydrophobicContact CG1-CG2 4.25Å; V658-V662 WeakPolarHBondContact O-CG2 3.32Å; V658-V662 PolarHBondContact O-N 2.86Å; S659-V662 WeakPolarHBondContact O-CB 3.37Å; S659-V662 PolarHBondContact O-N 3.37Å; S659-V662 VanDerWaalsContact O-N 3.16Å; V662-G666 WeakPolarHBondContact O-CA 3.46Å; V662-G666 PolarHBondContact O-N 3.05Å; V662-F669 HydrophobicContact CB-CD2 4.49Å; V662-F669 HydrophobicContact CG2-CD1 3.84Å; V662-F669 HydrophobicContact CG2-CD2 3.69Å; V662-F669 HydrophobicContact CG2-CE1 3.76Å; V662-F669 HydrophobicContact CG2-CE2 3.61Å; V662-F669 HydrophobicContact CG2-CG 3.82Å; V662-F669 HydrophobicContact CG2-CZ 3.65Å; V662-L699 HydrophobicContact CG2-CD1 4.09Å; V662-M703 HydrophobicContact CG1-CG 4.32Å; V662-M703 HydrophobicContact CG2-CG 4.12Å; V662-V706 HydrophobicContact CG1-CB 3.82Å; V662-V706 HydrophobicContact CG1-CG1 4.05Å; V662-V706 HydrophobicContact CG1-CG2 3.87Å |
| 663 | E | 93.3 | Very high | 94.1 | Very high | 81 Ų | 81 | 28.2 Ų | 28.2 | 38% | 0.379 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62 | -44.5 | 176 | -69.6 | -179.6 | -177 | 0 | 0 | 112.6 | R598 S659 | R598-E663 IonicContact NH1-OE2 3.53Å; S659-E663 PolarHBondContact O-N 3.26Å |
| 664 | A | 92.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 7% | 0.066 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.1 | -43.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L597 A605 A660 L661 | L597-A664 WeakPolarHBondContact O-CB 3.44Å; A605-A664 HydrophobicContact CB-CB 3.97Å; A605-A664 WeakPolarHBondContact CB-O 3.28Å; A660-A664 WeakPolarHBondContact O-CB 3.33Å; A660-A664 PolarHBondContact O-N 3.32Å; L661-A664 PolarHBondContact O-N 3.13Å |
| 665 | V | 94.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -83.7 | -25.6 | -176.3 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | A605 L661 F669 | A605-V665 HydrophobicContact CB-CG2 3.99Å; L661-V665 HydrophobicContact CD1-CG2 3.58Å; L661-V665 HydrophobicContact CG-CG2 4Å; L661-V665 VanDerWaalsContact O-CB 3.31Å; L661-V665 WeakPolarHBondContact O-CB 3.45Å; L661-V665 VanDerWaalsContact O-CG2 3.31Å; L661-V665 WeakPolarHBondContact O-CG2 3.3Å; L661-V665 PolarHBondContact O-N 3.29Å; V665-F669 HydrophobicContact CG1-CB 4.37Å |
| 666 | G | 93.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 37 Ų | 37 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | 65.4 | -145.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V662 S668 F669 V706 | V662-G666 WeakPolarHBondContact O-CA 3.46Å; V662-G666 PolarHBondContact O-N 3.05Å; G666-S668 PolarHBondContact O-N 3.24Å; G666-F669 WeakPolarHBondContact O-CB 3.29Å; G666-F669 PolarHBondContact O-N 3.49Å; G666-V706 VanDerWaalsContact CA-CG1 3.43Å; G666-V706 VanDerWaalsContact O-CG1 3.3Å; G666-V706 WeakPolarHBondContact O-CG1 3.45Å |
| 667 | E | 92.7 | Very high | 94.4 | Very high | 123 Ų | 123 | 35 Ų | 35 | 58% | 0.575 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -55.4 | -24.1 | -177.8 | -67.7 | -174.5 | 173.2 | 0 | 0 | 113.9 | F669 V670 V706 | E667-F669 PolarHBondContact O-N 3.28Å; E667-F669 VanDerWaalsContact O-N 3.09Å; E667-V670 WeakPolarHBondContact O-CB 3.37Å; E667-V670 PolarHBondContact O-N 3.05Å; E667-V670 VanDerWaalsContact O-N 3.14Å; E667-V706 WeakPolarHBondContact CG-O 3.47Å |
| 668 | S | 92.9 | Very high | 94.4 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 47% | 0.469 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -64.1 | -12.8 | 177.2 | -64.4 | 0 | 0 | 0 | 0 | 113.3 | G666 V670 K671 | G666-S668 PolarHBondContact O-N 3.24Å; S668-V670 PolarHBondContact O-N 3.24Å; S668-K671 WeakPolarHBondContact O-CG 3.31Å |
| 669 | F | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -65.5 | -15.8 | 174.1 | -170.5 | -88.1 | 0 | 0 | 0 | 112.6 | M613 V658 L661 V662 V665 G666 E667 K671 Y672 V673 M703 L707 | M613-F669 HydrophobicContact SD-CE2 4.2Å; M613-F669 HydrophobicContact SD-CZ 4.31Å; V658-F669 HydrophobicContact CG1-CE2 4.19Å; V658-F669 HydrophobicContact CG1-CZ 3.84Å; L661-F669 HydrophobicContact CD2-CE2 4.14Å; L661-F669 HydrophobicContact CG-CD2 4.48Å; L661-F669 HydrophobicContact CG-CE2 4.43Å; V662-F669 HydrophobicContact CB-CD2 4.49Å; V662-F669 HydrophobicContact CG2-CD1 3.84Å; V662-F669 HydrophobicContact CG2-CD2 3.69Å; V662-F669 HydrophobicContact CG2-CE1 3.76Å; V662-F669 HydrophobicContact CG2-CE2 3.61Å; V662-F669 HydrophobicContact CG2-CG 3.82Å; V662-F669 HydrophobicContact CG2-CZ 3.65Å; V665-F669 HydrophobicContact CG1-CB 4.37Å; G666-F669 WeakPolarHBondContact O-CB 3.29Å; G666-F669 PolarHBondContact O-N 3.49Å; E667-F669 PolarHBondContact O-N 3.28Å; E667-F669 VanDerWaalsContact O-N 3.09Å; F669-K671 PolarHBondContact O-N 2.9Å; F669-Y672 AromaticContact CD2-CD2 3.65Å; F669-Y672 HydrophobicContact CD2-CD2 3.65Å; F669-Y672 HydrophobicContact CD2-CE2 4.28Å; F669-Y672 AromaticContact CE2-CD2 3.87Å; F669-Y672 HydrophobicContact CE2-CD2 3.87Å; F669-Y672 HydrophobicContact CG-CD2 4.05Å; F669-Y672 HydrophobicContact CZ-CD2 4.45Å; F669-Y672 PolarHBondContact O-N 3.37Å; F669-V673 HydrophobicContact CD1-CG2 4.16Å; F669-V673 HydrophobicContact CE1-CG2 4.41Å; F669-M703 HydrophobicContact CE1-CE 4.09Å; F669-L707 HydrophobicContact CB-CD2 4.17Å; F669-L707 HydrophobicContact CD1-CD1 4.32Å |
| 670 | V | 94.7 | Very high | 94 | Very high | 63 Ų | 63 | 39.2 Ų | 39.2 | 38% | 0.382 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -52.3 | -28.8 | -179.6 | 89.3 | 0 | 0 | 0 | 0 | 113.6 | E667 S668 Y672 V673 L707 N710 | E667-V670 WeakPolarHBondContact O-CB 3.37Å; E667-V670 PolarHBondContact O-N 3.05Å; E667-V670 VanDerWaalsContact O-N 3.14Å; S668-V670 PolarHBondContact O-N 3.24Å; V670-Y672 PolarHBondContact O-N 3.05Å; V670-V673 PolarHBondContact O-N 3.47Å; V670-L707 HydrophobicContact CB-CD2 4.3Å; V670-N710 HydrophobicContact CG2-CB 3.6Å |
| 671 | K | 95 | Very high | 94 | Very high | 98 Ų | 98 | 41 Ų | 41 | 43% | 0.426 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.6 | -23.5 | 178.4 | 66.9 | 177.6 | 160.7 | 155.4 | 0 | 114.1 | D610 S668 F669 | D610-K671 IonicContact OD1-NZ 3.95Å; D610-K671 PolarHBondContact OD1-NZ 3.09Å; D610-K671 IonicContact OD2-NZ 3.24Å; S668-K671 WeakPolarHBondContact O-CG 3.31Å; F669-K671 PolarHBondContact O-N 2.9Å |
| 672 | Y | 96.2 | Very high | 93.7 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -96.3 | -15.9 | -178.8 | -52.3 | -62.4 | 0 | 0 | 0 | 113.6 | S609 D610 M613 F669 V670 N674 D675 F676 | S609-Y672 VanDerWaalsContact CB-OH 3.29Å; S609-Y672 WeakPolarHBondContact CB-OH 3.3Å; S609-Y672 PolarHBondContact O-OH 3.47Å; S609-Y672 PolarHBondContact OG-OH 3.13Å; D610-Y672 WeakPolarHBondContact CA-OH 3.22Å; D610-Y672 PolarHBondContact N-OH 3.01Å; D610-Y672 VanDerWaalsContact OD1-CE1 3.29Å; D610-Y672 WeakPolarHBondContact OD1-CE1 3.47Å; D610-Y672 VanDerWaalsContact OD1-CZ 3.29Å; D610-Y672 PolarHBondContact OD1-OH 3.09Å; M613-Y672 HydrophobicContact CB-CD1 4.09Å; M613-Y672 HydrophobicContact CB-CE1 3.98Å; M613-Y672 HydrophobicContact CB-CG 4.5Å; M613-Y672 HydrophobicContact CG-CD1 3.74Å; M613-Y672 HydrophobicContact CG-CE1 4.17Å; M613-Y672 HydrophobicContact CG-CG 3.95Å; M613-Y672 HydrophobicContact SD-CG 4.4Å; F669-Y672 AromaticContact CD2-CD2 3.65Å; F669-Y672 HydrophobicContact CD2-CD2 3.65Å; F669-Y672 HydrophobicContact CD2-CE2 4.28Å; F669-Y672 AromaticContact CE2-CD2 3.87Å; F669-Y672 HydrophobicContact CE2-CD2 3.87Å; F669-Y672 HydrophobicContact CG-CD2 4.05Å; F669-Y672 HydrophobicContact CZ-CD2 4.45Å; F669-Y672 PolarHBondContact O-N 3.37Å; V670-Y672 PolarHBondContact O-N 3.05Å; Y672-N674 VanDerWaalsContact C-N 3.33Å; Y672-N674 PolarHBondContact O-N 2.96Å; Y672-D675 PolarHBondContact O-N 3.28Å; Y672-D675 VanDerWaalsContact O-N 3.14Å; Y672-F676 WeakPolarHBondContact O-CB 3.44Å; Y672-F676 PolarHBondContact O-N 3.35Å |
| 673 | V | 94.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.9 | -47.5 | -169.3 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | F669 V670 D675 F676 M677 M703 L707 L711 | F669-V673 HydrophobicContact CD1-CG2 4.16Å; F669-V673 HydrophobicContact CE1-CG2 4.41Å; V670-V673 PolarHBondContact O-N 3.47Å; V673-D675 VanDerWaalsContact C-N 3.34Å; V673-D675 PolarHBondContact O-N 3.28Å; V673-F676 PolarHBondContact O-N 3.09Å; V673-M677 HydrophobicContact CG1-CE 3.66Å; V673-M677 VanDerWaalsContact O-CB 3.28Å; V673-M677 WeakPolarHBondContact O-CB 3.5Å; V673-M677 PolarHBondContact O-N 3.4Å; V673-M703 HydrophobicContact CG2-CE 4.19Å; V673-L707 HydrophobicContact CG2-CD1 3.54Å; V673-L711 HydrophobicContact CG1-CD2 4.41Å |
| 674 | N | 93.9 | Very high | 93.4 | Very high | 111 Ų | 111 | 40.6 Ų | 40.6 | 59% | 0.594 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.4 | -35.3 | -176.3 | -67.1 | -29.4 | 0 | 0 | 0 | 113 | Y672 P678 H714 | Y672-N674 VanDerWaalsContact C-N 3.33Å; Y672-N674 PolarHBondContact O-N 2.96Å; N674-P678 WeakPolarHBondContact O-CD 3.25Å; N674-H714 PolarHBondContact OD1-CE1 2.92Å; N674-H714 PolarHBondContact OD1-NE2 2.96Å |
| 675 | D | 93.2 | Very high | 93.3 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -79.8 | -31.8 | 179.7 | -67.6 | -37.7 | 0 | 0 | 0 | 112 | M617 Y672 V673 | M617-D675 HydrophobicContact CE-CB 4.47Å; M617-D675 VanDerWaalsContact CE-O 3.3Å; M617-D675 WeakPolarHBondContact CE-O 3.09Å; Y672-D675 PolarHBondContact O-N 3.28Å; Y672-D675 VanDerWaalsContact O-N 3.14Å; V673-D675 VanDerWaalsContact C-N 3.34Å; V673-D675 PolarHBondContact O-N 3.28Å |
| 676 | F | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -83.8 | -30.5 | -179.5 | -177.6 | -115.4 | 0 | 0 | 0 | 113.6 | M613 M617 F620 L655 V658 Y672 V673 P678 I679 L680 L699 | M613-F676 HydrophobicContact CE-CB 3.73Å; M613-F676 HydrophobicContact CE-CD2 3.33Å; M613-F676 HydrophobicContact CE-CE2 4.1Å; M613-F676 HydrophobicContact CE-CG 3.64Å; M617-F676 HydrophobicContact SD-CB 4.38Å; M617-F676 HydrophobicContact SD-CD2 3.81Å; F620-F676 HydrophobicContact CD2-CE2 4.32Å; F620-F676 AromaticContact CE2-CE2 3.9Å; F620-F676 HydrophobicContact CE2-CE2 3.9Å; F620-F676 HydrophobicContact CZ-CE2 4.5Å; L655-F676 HydrophobicContact CD2-CZ 4.2Å; V658-F676 HydrophobicContact CB-CZ 4.43Å; V658-F676 HydrophobicContact CG1-CE1 4.04Å; V658-F676 HydrophobicContact CG1-CZ 3.98Å; V658-F676 HydrophobicContact CG2-CE2 4.18Å; V658-F676 HydrophobicContact CG2-CZ 4.2Å; Y672-F676 WeakPolarHBondContact O-CB 3.44Å; Y672-F676 PolarHBondContact O-N 3.35Å; V673-F676 PolarHBondContact O-N 3.09Å; F676-P678 VanDerWaalsContact C-CD 3.41Å; F676-P678 VanDerWaalsContact C-N 3.33Å; F676-I679 HydrophobicContact CD2-CB 4.27Å; F676-I679 HydrophobicContact CD2-CD1 4.48Å; F676-I679 HydrophobicContact CE2-CB 4.28Å; F676-I679 HydrophobicContact CE2-CG2 4.06Å; F676-I679 WeakPolarHBondContact O-CB 3.49Å; F676-I679 PolarHBondContact O-N 2.91Å; F676-L680 HydrophobicContact CD1-CB 4.38Å; F676-L680 HydrophobicContact CE1-CB 4.01Å; F676-L680 HydrophobicContact CE1-CD1 4.42Å; F676-L680 HydrophobicContact CZ-CB 4.47Å; F676-L680 PolarHBondContact O-N 3.02Å; F676-L680 VanDerWaalsContact O-N 3.11Å; F676-L699 HydrophobicContact CE1-CD2 3.59Å; F676-L699 HydrophobicContact CZ-CD2 3.62Å |
| 677 | M | 94.4 | Very high | 92.3 | Very high | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.054 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -51.8 | -41.4 | -175.4 | -165.3 | 62.9 | 57.1 | 0 | 0 | 114.2 | V673 I679 L680 V681 M703 L711 H714 L718 | V673-M677 HydrophobicContact CG1-CE 3.66Å; V673-M677 VanDerWaalsContact O-CB 3.28Å; V673-M677 WeakPolarHBondContact O-CB 3.5Å; V673-M677 PolarHBondContact O-N 3.4Å; M677-I679 VanDerWaalsContact C-N 3.26Å; M677-I679 PolarHBondContact O-N 3.44Å; M677-L680 PolarHBondContact O-N 3.25Å; M677-L680 HydrophobicContact SD-CD2 4.04Å; M677-V681 HydrophobicContact CG-CG2 4.45Å; M677-V681 WeakPolarHBondContact O-CG2 3.49Å; M677-V681 PolarHBondContact O-N 3.33Å; M677-M703 HydrophobicContact CE-CE 4.41Å; M677-L711 HydrophobicContact CE-CD2 4.24Å; M677-H714 HydrophobicContact CE-CB 3.81Å; M677-H714 HydrophobicContact CG-CB 4.35Å; M677-H714 HydrophobicContact SD-CB 4.08Å; M677-L718 HydrophobicContact SD-CD1 4.21Å; M677-L718 HydrophobicContact SD-CD2 4.07Å; M677-L718 HydrophobicContact SD-CG 4.44Å |
| 678 | P | 92.5 | Very high | 91.6 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 49% | 0.494 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.3 | -35.7 | 176.3 | -25 | 35.8 | 0 | 0 | 0 | 113.6 | N674 F676 I682 | N674-P678 WeakPolarHBondContact O-CD 3.25Å; F676-P678 VanDerWaalsContact C-CD 3.41Å; F676-P678 VanDerWaalsContact C-N 3.33Å; P678-I682 WeakPolarHBondContact O-CD1 3.48Å; P678-I682 VanDerWaalsContact O-CG1 3.27Å; P678-I682 WeakPolarHBondContact O-CG1 3.35Å; P678-I682 PolarHBondContact O-N 3.18Å |
| 679 | I | 91.7 | Very high | 91.3 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.7 | -45.5 | 177.4 | -65.5 | 169.8 | 0 | 0 | 0 | 109.9 | M617 F620 F676 M677 V681 I682 C683 | M617-I679 HydrophobicContact CE-CD1 3.38Å; M617-I679 HydrophobicContact SD-CD1 3.36Å; M617-I679 WeakPolarHBondContact SD-CD1 3.42Å; F620-I679 HydrophobicContact CB-CD1 3.85Å; F620-I679 HydrophobicContact CB-CG1 4.41Å; F620-I679 HydrophobicContact CB-CG2 3.78Å; F620-I679 HydrophobicContact CD1-CG2 3.82Å; F620-I679 HydrophobicContact CD2-CD1 4.35Å; F620-I679 HydrophobicContact CD2-CG2 3.9Å; F620-I679 HydrophobicContact CE1-CG2 4.36Å; F620-I679 HydrophobicContact CE2-CG2 4.44Å; F620-I679 HydrophobicContact CG-CD1 4.39Å; F620-I679 HydrophobicContact CG-CG2 3.57Å; F676-I679 HydrophobicContact CD2-CB 4.27Å; F676-I679 HydrophobicContact CD2-CD1 4.48Å; F676-I679 HydrophobicContact CE2-CB 4.28Å; F676-I679 HydrophobicContact CE2-CG2 4.06Å; F676-I679 WeakPolarHBondContact O-CB 3.49Å; F676-I679 PolarHBondContact O-N 2.91Å; M677-I679 VanDerWaalsContact C-N 3.26Å; M677-I679 PolarHBondContact O-N 3.44Å; I679-V681 VanDerWaalsContact C-N 3.27Å; I679-V681 PolarHBondContact O-N 3.43Å; I679-I682 WeakPolarHBondContact O-CB 3.47Å; I679-I682 PolarHBondContact O-N 3.06Å; I679-I682 VanDerWaalsContact O-N 3.08Å; I679-C683 PolarHBondContact O-N 3.32Å; I679-C683 PolarHBondContact O-SG 3.44Å |
| 680 | L | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.6 | -43.6 | 176.4 | -177.1 | 62.4 | 0 | 0 | 0 | 111.5 | F676 M677 I682 C683 L684 A696 L699 M703 | F676-L680 HydrophobicContact CD1-CB 4.38Å; F676-L680 HydrophobicContact CE1-CB 4.01Å; F676-L680 HydrophobicContact CE1-CD1 4.42Å; F676-L680 HydrophobicContact CZ-CB 4.47Å; F676-L680 PolarHBondContact O-N 3.02Å; F676-L680 VanDerWaalsContact O-N 3.11Å; M677-L680 PolarHBondContact O-N 3.25Å; M677-L680 HydrophobicContact SD-CD2 4.04Å; L680-I682 VanDerWaalsContact C-N 3.33Å; L680-I682 PolarHBondContact O-N 3.19Å; L680-C683 PolarHBondContact O-N 3.24Å; L680-L684 HydrophobicContact CD1-CD1 4.49Å; L680-L684 HydrophobicContact CD1-CG 4.45Å; L680-L684 HydrophobicContact CG-CD1 4.06Å; L680-L684 HydrophobicContact CG-CG 4.46Å; L680-L684 WeakPolarHBondContact O-CB 3.44Å; L680-L684 VanDerWaalsContact O-CG 3.3Å; L680-L684 WeakPolarHBondContact O-CG 3.46Å; L680-L684 PolarHBondContact O-N 3.07Å; L680-A696 HydrophobicContact CD1-CB 3.97Å; L680-L699 HydrophobicContact CD1-CD2 4.23Å; L680-M703 HydrophobicContact CD2-SD 4.02Å |
| 681 | V | 93.1 | Very high | 90.8 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 22% | 0.218 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 176.2 | 165.3 | 0 | 0 | 0 | 0 | 112.1 | M677 I679 R685 I721 | M677-V681 HydrophobicContact CG-CG2 4.45Å; M677-V681 WeakPolarHBondContact O-CG2 3.49Å; M677-V681 PolarHBondContact O-N 3.33Å; I679-V681 VanDerWaalsContact C-N 3.27Å; I679-V681 PolarHBondContact O-N 3.43Å; V681-R685 WeakPolarHBondContact O-CB 3.4Å; V681-R685 WeakPolarHBondContact O-CG 3.5Å; V681-R685 PolarHBondContact O-N 3.02Å; V681-I721 HydrophobicContact CB-CD1 4.29Å; V681-I721 HydrophobicContact CG1-CD1 3.74Å; V681-I721 HydrophobicContact CG2-CD1 3.96Å |
| 682 | I | 90.4 | Very high | 90.6 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.7 | -47.5 | 175.8 | -72.9 | 166.1 | 0 | 0 | 0 | 110.5 | F646 P678 I679 L680 R685 N686 | F646-I682 HydrophobicContact CE1-CG2 4.03Å; F646-I682 HydrophobicContact CE2-CG2 4.11Å; F646-I682 HydrophobicContact CZ-CG2 3.28Å; P678-I682 WeakPolarHBondContact O-CD1 3.48Å; P678-I682 VanDerWaalsContact O-CG1 3.27Å; P678-I682 WeakPolarHBondContact O-CG1 3.35Å; P678-I682 PolarHBondContact O-N 3.18Å; I679-I682 WeakPolarHBondContact O-CB 3.47Å; I679-I682 PolarHBondContact O-N 3.06Å; I679-I682 VanDerWaalsContact O-N 3.08Å; L680-I682 VanDerWaalsContact C-N 3.33Å; L680-I682 PolarHBondContact O-N 3.19Å; I682-R685 PolarHBondContact O-N 2.94Å; I682-N686 PolarHBondContact O-N 2.78Å; I682-N686 VanDerWaalsContact O-N 3.13Å |
| 683 | C | 91 | Very high | 90.4 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 179 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | L655 I679 L680 R685 N686 V692 A696 | L655-C683 HydrophobicContact CD1-CB 4.21Å; I679-C683 PolarHBondContact O-N 3.32Å; I679-C683 PolarHBondContact O-SG 3.44Å; L680-C683 PolarHBondContact O-N 3.24Å; C683-R685 VanDerWaalsContact C-N 3.33Å; C683-R685 PolarHBondContact O-N 2.99Å; C683-N686 PolarHBondContact O-N 3.38Å; C683-V692 HydrophobicContact CB-CG1 3.97Å; C683-A696 HydrophobicContact CB-CB 3.75Å |
| 684 | L | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 175.9 | -73.2 | 169.8 | 0 | 0 | 0 | 112.3 | L680 N686 C693 A696 V697 L718 I721 I725 | L680-L684 HydrophobicContact CD1-CD1 4.49Å; L680-L684 HydrophobicContact CD1-CG 4.45Å; L680-L684 HydrophobicContact CG-CD1 4.06Å; L680-L684 HydrophobicContact CG-CG 4.46Å; L680-L684 WeakPolarHBondContact O-CB 3.44Å; L680-L684 VanDerWaalsContact O-CG 3.3Å; L680-L684 WeakPolarHBondContact O-CG 3.46Å; L680-L684 PolarHBondContact O-N 3.07Å; L684-N686 VanDerWaalsContact C-N 3.31Å; L684-C693 PolarHBondContact O-SG 2.92Å; L684-C693 VanDerWaalsContact O-SG 3.33Å; L684-A696 HydrophobicContact CD2-CB 3.82Å; L684-A696 HydrophobicContact CG-CB 4.01Å; L684-V697 HydrophobicContact CD2-CB 4.44Å; L684-V697 HydrophobicContact CD2-CG2 3.57Å; L684-L718 HydrophobicContact CD1-CD2 3.64Å; L684-I721 HydrophobicContact CB-CG2 3.89Å; L684-I725 WeakPolarHBondContact O-CD1 3.45Å |
| 685 | R | 90.4 | Very high | 90.4 | Very high | 141 Ų | 141 | 47.2 Ų | 47.2 | 53% | 0.532 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76.5 | -17.7 | 178.3 | -76.3 | -177.9 | 168.4 | 173.4 | -2.3 | 113.6 | V681 I682 C683 H687 I721 | V681-R685 WeakPolarHBondContact O-CB 3.4Å; V681-R685 WeakPolarHBondContact O-CG 3.5Å; V681-R685 PolarHBondContact O-N 3.02Å; I682-R685 PolarHBondContact O-N 2.94Å; C683-R685 VanDerWaalsContact C-N 3.33Å; C683-R685 PolarHBondContact O-N 2.99Å; R685-H687 PolarHBondContact O-CD2 3.1Å; R685-H687 VanDerWaalsContact O-CD2 3.28Å; R685-H687 PolarHBondContact O-N 3.06Å; R685-I721 HydrophobicContact CG-CG1 4.43Å; R685-I721 HydrophobicContact CG-CG2 4.02Å |
| 686 | N | 84.8 | Confident | 90.5 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | trans | -81.7 | 61.5 | 178.6 | -171.2 | 15.5 | 0 | 0 | 0 | 111.8 | F646 I682 C683 L684 R688 E689 | F646-N686 HydrophobicContact CD2-CB 4.48Å; F646-N686 WeakPolarHBondContact CD2-ND2 3.43Å; F646-N686 HydrophobicContact CE2-CB 4.33Å; I682-N686 PolarHBondContact O-N 2.78Å; I682-N686 VanDerWaalsContact O-N 3.13Å; C683-N686 PolarHBondContact O-N 3.38Å; L684-N686 VanDerWaalsContact C-N 3.31Å; N686-R688 PolarHBondContact O-N 3.03Å; N686-E689 WeakPolarHBondContact ND2-CB 3.25Å; N686-E689 VanDerWaalsContact ND2-CG 3.33Å; N686-E689 WeakPolarHBondContact ND2-CG 3.36Å; N686-E689 PolarHBondContact O-N 3.32Å | ||
| 687 | H | 80.8 | Confident | 90.6 | Very high | 53 Ų | 53 | 41.9 Ų | 41.9 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -5.3 | -179.9 | 63.4 | 83.5 | 0 | 0 | 0 | 113.8 | R685 D728 L735 | R685-H687 PolarHBondContact O-CD2 3.1Å; R685-H687 VanDerWaalsContact O-CD2 3.28Å; R685-H687 PolarHBondContact O-N 3.06Å; H687-D728 IonicContact CE1-OD2 2.98Å; H687-D728 PolarHBondContact CE1-OD2 3.39Å; H687-D728 IonicContact ND1-OD2 3.15Å; H687-D728 PolarHBondContact ND1-OD2 2.87Å; H687-D728 IonicContact NE2-OD2 3.49Å; H687-L735 HydrophobicContact CB-CD1 4.01Å |
| 688 | R | 79.8 | Confident | 90.6 | Very high | 169 Ų | 169 | 43 Ų | 43 | 64% | 0.638 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -43.4 | 168.7 | -69.8 | -173.9 | 177 | 179.1 | 0.2 | 110.8 | E640 N686 T690 | E640-R688 IonicContact OE2-CZ 2.93Å; E640-R688 IonicContact OE2-NH2 3.66Å; E640-R688 PolarHBondContact OE2-NH2 2.91Å; N686-R688 PolarHBondContact O-N 3.03Å; R688-T690 PolarHBondContact O-N 3.47Å |
| 689 | E | 84.6 | Confident | 90.8 | Very high | 91 Ų | 91 | 39.4 Ų | 39.4 | 43% | 0.425 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -85.4 | 82.1 | 170.2 | -62.9 | -61.1 | 159.8 | 0 | 0 | 109.5 | N686 Q691 V692 C693 | N686-E689 WeakPolarHBondContact ND2-CB 3.25Å; N686-E689 VanDerWaalsContact ND2-CG 3.33Å; N686-E689 WeakPolarHBondContact ND2-CG 3.36Å; N686-E689 PolarHBondContact O-N 3.32Å; E689-Q691 PolarHBondContact O-N 2.96Å; E689-Q691 VanDerWaalsContact O-N 3.15Å; E689-V692 HydrophobicContact CB-CB 4.04Å; E689-V692 HydrophobicContact CB-CG2 3.97Å; E689-V692 PolarHBondContact O-N 3.42Å; E689-V692 VanDerWaalsContact O-N 3.16Å; E689-C693 PolarHBondContact O-N 3.47Å; E689-C693 VanDerWaalsContact O-N 3.13Å |
| 690 | T | 89.3 | Confident | 91.1 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53 | -41.2 | -170 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | R688 C693 M694 H732 L735 | R688-T690 PolarHBondContact O-N 3.47Å; T690-C693 PolarHBondContact O-N 3.08Å; T690-M694 HydrophobicContact CG2-CE 4.31Å; T690-M694 WeakPolarHBondContact O-CB 3.47Å; T690-M694 PolarHBondContact O-N 3.35Å; T690-H732 HydrophobicContact CG2-CB 3.71Å; T690-H732 VanDerWaalsContact OG1-CB 3.29Å; T690-H732 WeakPolarHBondContact OG1-CB 3.39Å; T690-L735 HydrophobicContact CG2-CD2 4.27Å; T690-L735 HydrophobicContact CG2-CG 4.3Å |
| 691 | Q | 90.3 | Very high | 91.2 | Very high | 78 Ų | 78 | 38.6 Ų | 38.6 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -72.4 | -37.9 | -176.7 | -168.5 | 59.6 | 35.9 | 0 | 0 | 112.9 | E652 E689 M694 N695 | E652-Q691 VanDerWaalsContact CD-CG 3.41Å; E652-Q691 HydrophobicContact CG-CB 4.33Å; E652-Q691 HydrophobicContact CG-CG 4.09Å; E652-Q691 WeakPolarHBondContact OE1-CB 3.45Å; E652-Q691 WeakPolarHBondContact OE2-CG 3.44Å; E689-Q691 PolarHBondContact O-N 2.96Å; E689-Q691 VanDerWaalsContact O-N 3.15Å; Q691-M694 PolarHBondContact O-N 2.71Å; Q691-N695 PolarHBondContact NE2-OD1 3.2Å; Q691-N695 PolarHBondContact O-N 2.93Å |
| 692 | V | 91.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | Q651 E652 L655 C683 E689 M694 N695 A696 | Q651-V692 HydrophobicContact CB-CG1 4.24Å; Q651-V692 HydrophobicContact CB-CG2 4.08Å; E652-V692 HydrophobicContact CG-CG2 3.64Å; L655-V692 HydrophobicContact CD1-CG1 4.02Å; L655-V692 WeakPolarHBondContact CD1-O 3.22Å; C683-V692 HydrophobicContact CB-CG1 3.97Å; E689-V692 HydrophobicContact CB-CB 4.04Å; E689-V692 HydrophobicContact CB-CG2 3.97Å; E689-V692 PolarHBondContact O-N 3.42Å; E689-V692 VanDerWaalsContact O-N 3.16Å; V692-M694 VanDerWaalsContact C-N 3.32Å; V692-M694 PolarHBondContact O-N 3.14Å; V692-N695 PolarHBondContact O-N 2.83Å; V692-A696 WeakPolarHBondContact O-CB 3.4Å; V692-A696 PolarHBondContact O-N 3.21Å |
| 693 | C | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 176.8 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | L684 E689 T690 A696 V697 L735 | L684-C693 PolarHBondContact O-SG 2.92Å; L684-C693 VanDerWaalsContact O-SG 3.33Å; E689-C693 PolarHBondContact O-N 3.47Å; E689-C693 VanDerWaalsContact O-N 3.13Å; T690-C693 PolarHBondContact O-N 3.08Å; C693-A696 PolarHBondContact O-N 3.1Å; C693-V697 WeakPolarHBondContact O-CG2 3.42Å; C693-V697 PolarHBondContact O-N 2.73Å; C693-L735 HydrophobicContact CB-CD2 3.93Å |
| 694 | M | 93.5 | Very high | 91.8 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -46.3 | 178.4 | -167.7 | -178.5 | -56.2 | 0 | 0 | 112.3 | T690 Q691 V692 A696 V697 G698 S734 L735 A738 | T690-M694 HydrophobicContact CG2-CE 4.31Å; T690-M694 WeakPolarHBondContact O-CB 3.47Å; T690-M694 PolarHBondContact O-N 3.35Å; Q691-M694 PolarHBondContact O-N 2.71Å; V692-M694 VanDerWaalsContact C-N 3.32Å; V692-M694 PolarHBondContact O-N 3.14Å; M694-A696 VanDerWaalsContact C-N 3.29Å; M694-A696 PolarHBondContact O-N 3.39Å; M694-V697 PolarHBondContact O-N 2.93Å; M694-G698 PolarHBondContact O-N 3.33Å; M694-S734 VanDerWaalsContact CE-OG 3.25Å; M694-S734 WeakPolarHBondContact CE-OG 3.43Å; M694-L735 HydrophobicContact CB-CD2 4.3Å; M694-A738 HydrophobicContact CG-CB 4.48Å |
| 695 | N | 93.8 | Very high | 91.8 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 10% | 0.102 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -35 | 176.2 | -71.6 | 0.7 | 0 | 0 | 0 | 111.6 | E652 L655 Q691 V692 G698 L699 | E652-N695 WeakPolarHBondContact CB-ND2 3.2Å; E652-N695 PolarHBondContact O-ND2 2.82Å; L655-N695 HydrophobicContact CB-CB 4.08Å; L655-N695 HydrophobicContact CD1-CB 4.01Å; Q691-N695 PolarHBondContact NE2-OD1 3.2Å; Q691-N695 PolarHBondContact O-N 2.93Å; V692-N695 PolarHBondContact O-N 2.83Å; N695-G698 PolarHBondContact O-N 3.15Å; N695-L699 WeakPolarHBondContact O-CB 3.49Å; N695-L699 PolarHBondContact O-N 3.36Å |
| 696 | A | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L655 L680 C683 L684 V692 C693 M694 L700 | L655-A696 HydrophobicContact CD1-CB 4.12Å; L680-A696 HydrophobicContact CD1-CB 3.97Å; C683-A696 HydrophobicContact CB-CB 3.75Å; L684-A696 HydrophobicContact CD2-CB 3.82Å; L684-A696 HydrophobicContact CG-CB 4.01Å; V692-A696 WeakPolarHBondContact O-CB 3.4Å; V692-A696 PolarHBondContact O-N 3.21Å; C693-A696 PolarHBondContact O-N 3.1Å; M694-A696 VanDerWaalsContact C-N 3.29Å; M694-A696 PolarHBondContact O-N 3.39Å; A696-L700 PolarHBondContact O-N 3.08Å |
| 697 | V | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 172.7 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L684 C693 M694 L700 G701 A738 I739 T742 | L684-V697 HydrophobicContact CD2-CB 4.44Å; L684-V697 HydrophobicContact CD2-CG2 3.57Å; C693-V697 WeakPolarHBondContact O-CG2 3.42Å; C693-V697 PolarHBondContact O-N 2.73Å; M694-V697 PolarHBondContact O-N 2.93Å; V697-L700 WeakPolarHBondContact O-CB 3.44Å; V697-L700 PolarHBondContact O-N 3.1Å; V697-G701 PolarHBondContact O-N 3.43Å; V697-G701 VanDerWaalsContact O-N 3.1Å; V697-A738 HydrophobicContact CG1-CB 3.92Å; V697-A738 WeakPolarHBondContact CG1-O 3.44Å; V697-I739 HydrophobicContact CG1-CG1 4.28Å; V697-I739 HydrophobicContact CG2-CG1 4.03Å; V697-T742 WeakPolarHBondContact CG1-OG1 3.32Å |
| 698 | G | 95.5 | Very high | 93 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 37% | 0.371 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | M694 N695 L700 G701 D702 | M694-G698 PolarHBondContact O-N 3.33Å; N695-G698 PolarHBondContact O-N 3.15Å; G698-L700 VanDerWaalsContact C-N 3.28Å; G698-L700 PolarHBondContact O-N 3.09Å; G698-G701 WeakPolarHBondContact O-CA 3.44Å; G698-G701 PolarHBondContact O-N 3.06Å; G698-D702 PolarHBondContact O-N 3.04Å |
| 699 | L | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -38.4 | 174.9 | 172.9 | 57.9 | 0 | 0 | 0 | 112 | L655 V658 S659 V662 F676 L680 N695 G701 D702 M703 | L655-L699 HydrophobicContact CD2-CD2 3.75Å; V658-L699 HydrophobicContact CB-CD1 4.37Å; V658-L699 HydrophobicContact CB-CD2 4.02Å; V658-L699 HydrophobicContact CG1-CD1 3.91Å; V658-L699 HydrophobicContact CG1-CD2 3.85Å; S659-L699 WeakPolarHBondContact OG-CA 3.16Å; S659-L699 WeakPolarHBondContact OG-CD1 3.44Å; V662-L699 HydrophobicContact CG2-CD1 4.09Å; F676-L699 HydrophobicContact CE1-CD2 3.59Å; F676-L699 HydrophobicContact CZ-CD2 3.62Å; L680-L699 HydrophobicContact CD1-CD2 4.23Å; N695-L699 WeakPolarHBondContact O-CB 3.49Å; N695-L699 PolarHBondContact O-N 3.36Å; L699-G701 VanDerWaalsContact C-N 3.31Å; L699-G701 PolarHBondContact O-N 3.3Å; L699-D702 PolarHBondContact O-N 2.88Å; L699-M703 HydrophobicContact CD1-CG 4.06Å; L699-M703 HydrophobicContact CD1-SD 4.31Å; L699-M703 HydrophobicContact CG-CG 4.43Å; L699-M703 HydrophobicContact CG-SD 4.17Å; L699-M703 WeakPolarHBondContact O-CB 2.98Å; L699-M703 VanDerWaalsContact O-CG 3.23Å; L699-M703 WeakPolarHBondContact O-CG 3.23Å; L699-M703 PolarHBondContact O-N 2.99Å |
| 700 | L | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 173.3 | 176.5 | 59.3 | 0 | 0 | 0 | 111.4 | A696 V697 G698 M703 C704 L718 M722 T742 | A696-L700 PolarHBondContact O-N 3.08Å; V697-L700 WeakPolarHBondContact O-CB 3.44Å; V697-L700 PolarHBondContact O-N 3.1Å; G698-L700 VanDerWaalsContact C-N 3.28Å; G698-L700 PolarHBondContact O-N 3.09Å; L700-M703 PolarHBondContact O-N 3.1Å; L700-C704 PolarHBondContact O-N 3.27Å; L700-C704 PolarHBondContact O-SG 3.18Å; L700-L718 HydrophobicContact CD1-CD1 3.74Å; L700-L718 HydrophobicContact CD2-CB 4.37Å; L700-L718 HydrophobicContact CD2-CD1 4.38Å; L700-L718 HydrophobicContact CD2-CD2 4.38Å; L700-M722 HydrophobicContact CD2-CE 4.19Å; L700-M722 HydrophobicContact CD2-SD 4.15Å; L700-T742 HydrophobicContact CB-CG2 4.43Å; L700-T742 HydrophobicContact CD2-CG2 4Å; L700-T742 HydrophobicContact CG-CG2 4.01Å |
| 701 | G | 95.5 | Very high | 94 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.4 | -46.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V697 G698 L699 M703 C704 R705 | V697-G701 PolarHBondContact O-N 3.43Å; V697-G701 VanDerWaalsContact O-N 3.1Å; G698-G701 WeakPolarHBondContact O-CA 3.44Å; G698-G701 PolarHBondContact O-N 3.06Å; L699-G701 VanDerWaalsContact C-N 3.31Å; L699-G701 PolarHBondContact O-N 3.3Å; G701-M703 PolarHBondContact O-N 2.97Å; G701-C704 WeakPolarHBondContact O-CB 3.26Å; G701-C704 PolarHBondContact O-N 3.43Å; G701-C704 VanDerWaalsContact O-N 3.13Å; G701-R705 WeakPolarHBondContact O-CG 3.26Å; G701-R705 PolarHBondContact O-N 3.02Å; G701-R705 VanDerWaalsContact O-N 3.11Å |
| 702 | D | 95.1 | Very high | 94.1 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 16% | 0.16 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.5 | -62.7 | -30.4 | 0 | 0 | 0 | 111.7 | S659 G698 L699 C704 R705 V706 | S659-D702 VanDerWaalsContact CB-OD2 3.23Å; S659-D702 WeakPolarHBondContact CB-OD2 3.45Å; S659-D702 PolarHBondContact OG-OD2 3.19Å; G698-D702 PolarHBondContact O-N 3.04Å; L699-D702 PolarHBondContact O-N 2.88Å; D702-C704 VanDerWaalsContact C-N 3.28Å; D702-C704 PolarHBondContact O-N 2.91Å; D702-R705 PolarHBondContact O-N 3.47Å; D702-V706 WeakPolarHBondContact O-CG2 3.45Å; D702-V706 PolarHBondContact O-N 3.13Å; D702-V706 VanDerWaalsContact O-N 3.09Å |
| 703 | M | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -37.3 | 174.4 | -71.5 | 177.5 | 76.8 | 0 | 0 | 111.6 | V662 F669 V673 M677 L680 L699 L700 G701 V706 L707 L711 | V662-M703 HydrophobicContact CG1-CG 4.32Å; V662-M703 HydrophobicContact CG2-CG 4.12Å; F669-M703 HydrophobicContact CE1-CE 4.09Å; V673-M703 HydrophobicContact CG2-CE 4.19Å; M677-M703 HydrophobicContact CE-CE 4.41Å; L680-M703 HydrophobicContact CD2-SD 4.02Å; L699-M703 HydrophobicContact CD1-CG 4.06Å; L699-M703 HydrophobicContact CD1-SD 4.31Å; L699-M703 HydrophobicContact CG-CG 4.43Å; L699-M703 HydrophobicContact CG-SD 4.17Å; L699-M703 WeakPolarHBondContact O-CB 2.98Å; L699-M703 VanDerWaalsContact O-CG 3.23Å; L699-M703 WeakPolarHBondContact O-CG 3.23Å; L699-M703 PolarHBondContact O-N 2.99Å; L700-M703 PolarHBondContact O-N 3.1Å; G701-M703 PolarHBondContact O-N 2.97Å; M703-V706 PolarHBondContact O-N 3.26Å; M703-L707 HydrophobicContact CB-CD1 4.13Å; M703-L707 HydrophobicContact CE-CD1 3.81Å; M703-L707 HydrophobicContact CG-CD1 4.41Å; M703-L707 WeakPolarHBondContact O-CB 3.48Å; M703-L707 WeakPolarHBondContact O-CG 3.24Å; M703-L707 PolarHBondContact O-N 3.44Å; M703-L711 HydrophobicContact CB-CD1 4.04Å; M703-L711 HydrophobicContact CE-CD2 4.04Å |
| 704 | C | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 175.6 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | L700 G701 D702 V706 N708 L711 D745 L746 A749 | L700-C704 PolarHBondContact O-N 3.27Å; L700-C704 PolarHBondContact O-SG 3.18Å; G701-C704 WeakPolarHBondContact O-CB 3.26Å; G701-C704 PolarHBondContact O-N 3.43Å; G701-C704 VanDerWaalsContact O-N 3.13Å; D702-C704 VanDerWaalsContact C-N 3.28Å; D702-C704 PolarHBondContact O-N 2.91Å; C704-V706 VanDerWaalsContact C-N 3.27Å; C704-V706 PolarHBondContact O-N 3.49Å; C704-N708 PolarHBondContact O-N 3.21Å; C704-L711 HydrophobicContact CB-CD1 4.44Å; C704-D745 HydrophobicContact CB-CB 4.02Å; C704-L746 WeakPolarHBondContact SG-CD2 3.39Å; C704-A749 HydrophobicContact CB-CB 3.84Å; C704-A749 VanDerWaalsContact O-CB 3.29Å; C704-A749 WeakPolarHBondContact O-CB 3.38Å |
| 705 | R | 92.8 | Very high | 94.3 | Very high | 152 Ų | 152 | 35.7 Ų | 35.7 | 57% | 0.574 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -63.6 | -31.7 | -179.4 | -66 | 171.7 | -172.3 | 164 | 7.1 | 113 | G701 D702 D745 | G701-R705 WeakPolarHBondContact O-CG 3.26Å; G701-R705 PolarHBondContact O-N 3.02Å; G701-R705 VanDerWaalsContact O-N 3.11Å; D702-R705 PolarHBondContact O-N 3.47Å; R705-D745 IonicContact CZ-OD1 3.09Å; R705-D745 IonicContact CZ-OD2 2.93Å; R705-D745 IonicContact NE-OD1 2.69Å; R705-D745 PolarHBondContact NE-OD1 3.01Å; R705-D745 IonicContact NE-OD2 3.37Å; R705-D745 IonicContact NH2-OD1 3.96Å; R705-D745 PolarHBondContact NH2-OD1 3.1Å; R705-D745 VanDerWaalsContact NH2-OD1 3.15Å; R705-D745 IonicContact NH2-OD2 2.91Å; R705-D745 PolarHBondContact NH2-OD2 3.36Å |
| 706 | V | 94.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 16% | 0.158 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -93.7 | -45 | -176 | 172.2 | 0 | 0 | 0 | 0 | 113.2 | V662 G666 E667 D702 M703 C704 | V662-V706 HydrophobicContact CG1-CB 3.82Å; V662-V706 HydrophobicContact CG1-CG1 4.05Å; V662-V706 HydrophobicContact CG1-CG2 3.87Å; G666-V706 VanDerWaalsContact CA-CG1 3.43Å; G666-V706 VanDerWaalsContact O-CG1 3.3Å; G666-V706 WeakPolarHBondContact O-CG1 3.45Å; E667-V706 WeakPolarHBondContact CG-O 3.47Å; D702-V706 WeakPolarHBondContact O-CG2 3.45Å; D702-V706 PolarHBondContact O-N 3.13Å; D702-V706 VanDerWaalsContact O-N 3.09Å; M703-V706 PolarHBondContact O-N 3.26Å; C704-V706 VanDerWaalsContact C-N 3.27Å; C704-V706 PolarHBondContact O-N 3.49Å |
| 707 | L | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -90.8 | -16.9 | -171.2 | -60.1 | 176.7 | 0 | 0 | 0 | 113.4 | F669 V670 V673 M703 K709 N710 L711 | F669-L707 HydrophobicContact CB-CD2 4.17Å; F669-L707 HydrophobicContact CD1-CD1 4.32Å; V670-L707 HydrophobicContact CB-CD2 4.3Å; V673-L707 HydrophobicContact CG2-CD1 3.54Å; M703-L707 HydrophobicContact CB-CD1 4.13Å; M703-L707 HydrophobicContact CE-CD1 3.81Å; M703-L707 HydrophobicContact CG-CD1 4.41Å; M703-L707 WeakPolarHBondContact O-CB 3.48Å; M703-L707 WeakPolarHBondContact O-CG 3.24Å; M703-L707 PolarHBondContact O-N 3.44Å; L707-K709 PolarHBondContact O-N 2.9Å; L707-N710 HydrophobicContact CB-CB 4.35Å; L707-N710 VanDerWaalsContact O-CB 3.28Å; L707-N710 WeakPolarHBondContact O-CB 3.21Å; L707-N710 PolarHBondContact O-N 3.27Å; L707-N710 VanDerWaalsContact O-N 3.09Å; L707-N710 PolarHBondContact O-ND2 2.98Å; L707-N710 VanDerWaalsContact O-ND2 3.1Å; L707-L711 HydrophobicContact CB-CD1 4.34Å; L707-L711 HydrophobicContact CB-CG 4.05Å; L707-L711 HydrophobicContact CD1-CD1 4.49Å; L707-L711 HydrophobicContact CD1-CD2 3.98Å; L707-L711 HydrophobicContact CD1-CG 4.04Å |
| 708 | N | 91.5 | Very high | 94.2 | Very high | 65 Ų | 65 | 40.2 Ų | 40.2 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | 50.1 | -130.3 | -179.5 | -62.8 | -64.9 | 0 | 0 | 0 | 111.5 | C704 N710 L711 A749 | C704-N708 PolarHBondContact O-N 3.21Å; N708-N710 PolarHBondContact O-N 3.05Å; N708-L711 PolarHBondContact O-N 2.85Å; N708-A749 CarbonylContact C-O 3.56Å |
| 709 | K | 92 | Very high | 94.2 | Very high | 120 Ų | 120 | 39 Ų | 39 | 52% | 0.522 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -64.1 | -10.9 | -178.1 | -64.1 | -174.6 | 178 | -175.5 | 0 | 114.8 | L707 L711 L712 A749 | L707-K709 PolarHBondContact O-N 2.9Å; K709-L711 PolarHBondContact O-N 3.46Å; K709-L712 VanDerWaalsContact O-CB 3.24Å; K709-L712 WeakPolarHBondContact O-CB 3.47Å; K709-L712 PolarHBondContact O-N 3.46Å; K709-A749 PolarHBondContact N-O 3.08Å |
| 710 | N | 92.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -67.9 | -16.3 | 177.4 | -65 | -47.4 | 0 | 0 | 0 | 113.1 | V670 L707 N708 P713 | V670-N710 HydrophobicContact CG2-CB 3.6Å; L707-N710 HydrophobicContact CB-CB 4.35Å; L707-N710 VanDerWaalsContact O-CB 3.28Å; L707-N710 WeakPolarHBondContact O-CB 3.21Å; L707-N710 PolarHBondContact O-N 3.27Å; L707-N710 VanDerWaalsContact O-N 3.09Å; L707-N710 PolarHBondContact O-ND2 2.98Å; L707-N710 VanDerWaalsContact O-ND2 3.1Å; N708-N710 PolarHBondContact O-N 3.05Å; N710-P713 WeakPolarHBondContact O-CD 3.38Å |
| 711 | L | 92.4 | Very high | 94 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -80.4 | -14.9 | 174.1 | -79.3 | 172.4 | 0 | 0 | 0 | 114.5 | V673 M677 M703 C704 L707 N708 K709 P713 H714 C715 | V673-L711 HydrophobicContact CG1-CD2 4.41Å; M677-L711 HydrophobicContact CE-CD2 4.24Å; M703-L711 HydrophobicContact CB-CD1 4.04Å; M703-L711 HydrophobicContact CE-CD2 4.04Å; C704-L711 HydrophobicContact CB-CD1 4.44Å; L707-L711 HydrophobicContact CB-CD1 4.34Å; L707-L711 HydrophobicContact CB-CG 4.05Å; L707-L711 HydrophobicContact CD1-CD1 4.49Å; L707-L711 HydrophobicContact CD1-CD2 3.98Å; L707-L711 HydrophobicContact CD1-CG 4.04Å; N708-L711 PolarHBondContact O-N 2.85Å; K709-L711 PolarHBondContact O-N 3.46Å; L711-P713 VanDerWaalsContact C-N 3.27Å; L711-P713 WeakPolarHBondContact O-CD 3.32Å; L711-H714 PolarHBondContact O-N 3.32Å; L711-C715 PolarHBondContact O-N 3.49Å; L711-C715 PolarHBondContact O-SG 2.89Å |
| 712 | L | 92.2 | Very high | 94 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -46.7 | -40.1 | -174 | -174.4 | 67.3 | 0 | 0 | 0 | 114.6 | K709 H714 C715 L750 E753 | K709-L712 VanDerWaalsContact O-CB 3.24Å; K709-L712 WeakPolarHBondContact O-CB 3.47Å; K709-L712 PolarHBondContact O-N 3.46Å; L712-H714 PolarHBondContact O-N 2.7Å; L712-H714 VanDerWaalsContact O-N 3.17Å; L712-C715 PolarHBondContact O-N 3.24Å; L712-L750 HydrophobicContact CB-CD2 4.24Å; L712-L750 HydrophobicContact CD1-CD1 4.47Å; L712-L750 HydrophobicContact CD1-CD2 4.08Å; L712-E753 HydrophobicContact CD1-CB 3.95Å; L712-E753 HydrophobicContact CD1-CG 4.43Å; L712-E753 HydrophobicContact CD2-CG 4.35Å |
| 713 | P | 93.8 | Very high | 94 | Very high | 106 Ų | 106 | 42 Ų | 42 | 69% | 0.688 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -61.7 | -21.7 | 179.2 | -24.2 | 35.9 | 0 | 0 | 0 | 115.4 | N710 L711 | N710-P713 WeakPolarHBondContact O-CD 3.38Å; L711-P713 VanDerWaalsContact C-N 3.27Å; L711-P713 WeakPolarHBondContact O-CD 3.32Å |
| 714 | H | 94.3 | Very high | 93.9 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -105.9 | -14.7 | -174.5 | -59.7 | -73.9 | 0 | 0 | 0 | 113 | N674 M677 L711 L712 D716 G717 L718 | N674-H714 PolarHBondContact OD1-CE1 2.92Å; N674-H714 PolarHBondContact OD1-NE2 2.96Å; M677-H714 HydrophobicContact CE-CB 3.81Å; M677-H714 HydrophobicContact CG-CB 4.35Å; M677-H714 HydrophobicContact SD-CB 4.08Å; L711-H714 PolarHBondContact O-N 3.32Å; L712-H714 PolarHBondContact O-N 2.7Å; L712-H714 VanDerWaalsContact O-N 3.17Å; H714-D716 VanDerWaalsContact C-N 3.33Å; H714-D716 PolarHBondContact O-N 3.45Å; H714-G717 PolarHBondContact O-N 3.45Å; H714-L718 HydrophobicContact CB-CD1 4.15Å; H714-L718 WeakPolarHBondContact O-CG 3.26Å; H714-L718 PolarHBondContact O-N 3.03Å |
| 715 | C | 93.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -35.8 | -171.5 | -69 | 0 | 0 | 0 | 0 | 114.3 | L711 L712 G717 L718 I719 L750 Y757 | L711-C715 PolarHBondContact O-N 3.49Å; L711-C715 PolarHBondContact O-SG 2.89Å; L712-C715 PolarHBondContact O-N 3.24Å; C715-G717 PolarHBondContact O-N 3.12Å; C715-L718 PolarHBondContact O-N 3.39Å; C715-I719 WeakPolarHBondContact O-CB 3.37Å; C715-I719 VanDerWaalsContact O-CG1 3.25Å; C715-I719 WeakPolarHBondContact O-CG1 3.37Å; C715-I719 PolarHBondContact O-N 3.49Å; C715-L750 HydrophobicContact CB-CD1 4.26Å; C715-Y757 HydrophobicContact CB-CE2 4.27Å; C715-Y757 WeakPolarHBondContact CB-OH 3.41Å |
| 716 | D | 94.3 | Very high | 93.8 | Very high | 73 Ų | 73 | 41 Ų | 41 | 39% | 0.39 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57 | -49 | 178.6 | -82.9 | -31.4 | 0 | 0 | 0 | 111.7 | H714 T720 K756 Y757 | H714-D716 VanDerWaalsContact C-N 3.33Å; H714-D716 PolarHBondContact O-N 3.45Å; D716-T720 PolarHBondContact O-N 3.44Å; D716-T720 VanDerWaalsContact O-N 3.1Å; D716-T720 PolarHBondContact O-OG1 2.88Å; D716-T720 VanDerWaalsContact O-OG1 3.07Å; D716-K756 WeakPolarHBondContact OD1-CE 3.41Å; D716-K756 IonicContact OD1-NZ 3.88Å; D716-K756 PolarHBondContact OD1-NZ 2.96Å; D716-K756 IonicContact OD2-NZ 2.96Å; D716-K756 PolarHBondContact OD2-NZ 3.22Å; D716-Y757 PolarHBondContact N-OH 2.93Å; D716-Y757 VanDerWaalsContact OD1-CE1 3.26Å; D716-Y757 WeakPolarHBondContact OD1-CE1 3.37Å; D716-Y757 PolarHBondContact OD1-OH 3.14Å |
| 717 | G | 94.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H714 C715 T720 I721 | H714-G717 PolarHBondContact O-N 3.45Å; C715-G717 PolarHBondContact O-N 3.12Å; G717-T720 PolarHBondContact O-N 3.19Å; G717-I721 WeakPolarHBondContact O-CD1 3.41Å; G717-I721 VanDerWaalsContact O-CG1 3.28Å; G717-I721 WeakPolarHBondContact O-CG1 3.38Å; G717-I721 PolarHBondContact O-N 3.38Å |
| 718 | L | 95.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 179.3 | -65.5 | 168.1 | 0 | 0 | 0 | 111.9 | M677 L684 L700 H714 C715 I721 M722 | M677-L718 HydrophobicContact SD-CD1 4.21Å; M677-L718 HydrophobicContact SD-CD2 4.07Å; M677-L718 HydrophobicContact SD-CG 4.44Å; L684-L718 HydrophobicContact CD1-CD2 3.64Å; L700-L718 HydrophobicContact CD1-CD1 3.74Å; L700-L718 HydrophobicContact CD2-CB 4.37Å; L700-L718 HydrophobicContact CD2-CD1 4.38Å; L700-L718 HydrophobicContact CD2-CD2 4.38Å; H714-L718 HydrophobicContact CB-CD1 4.15Å; H714-L718 WeakPolarHBondContact O-CG 3.26Å; H714-L718 PolarHBondContact O-N 3.03Å; C715-L718 PolarHBondContact O-N 3.39Å; L718-I721 PolarHBondContact O-N 3.26Å; L718-M722 WeakPolarHBondContact O-CG 3.36Å; L718-M722 PolarHBondContact O-N 3.33Å |
| 719 | I | 94.8 | Very high | 93 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.7 | -67 | -74.4 | 0 | 0 | 0 | 110.2 | C715 I721 M722 M723 F743 L746 Y757 | C715-I719 WeakPolarHBondContact O-CB 3.37Å; C715-I719 VanDerWaalsContact O-CG1 3.25Å; C715-I719 WeakPolarHBondContact O-CG1 3.37Å; C715-I719 PolarHBondContact O-N 3.49Å; I719-I721 PolarHBondContact O-N 3.49Å; I719-M722 HydrophobicContact CD1-CE 3.84Å; I719-M722 HydrophobicContact CG1-CE 4.45Å; I719-M722 PolarHBondContact O-N 3.2Å; I719-M723 HydrophobicContact CG2-CG 4.25Å; I719-M723 WeakPolarHBondContact O-CB 3.4Å; I719-M723 WeakPolarHBondContact O-CG 3.33Å; I719-M723 PolarHBondContact O-N 3.25Å; I719-F743 HydrophobicContact CD1-CD1 3.93Å; I719-F743 HydrophobicContact CD1-CE1 3.78Å; I719-L746 HydrophobicContact CD1-CD1 3.84Å; I719-Y757 HydrophobicContact CB-CD1 4.1Å; I719-Y757 HydrophobicContact CB-CE1 4.27Å; I719-Y757 HydrophobicContact CD1-CG 4.23Å; I719-Y757 HydrophobicContact CG1-CD1 3.83Å; I719-Y757 HydrophobicContact CG1-CD2 4.28Å; I719-Y757 HydrophobicContact CG1-CE1 3.99Å; I719-Y757 HydrophobicContact CG1-CE2 4.44Å; I719-Y757 HydrophobicContact CG1-CG 3.96Å; I719-Y757 HydrophobicContact CG2-CD1 3.87Å; I719-Y757 HydrophobicContact CG2-CE1 4.47Å; I719-Y757 HydrophobicContact CG2-CG 4.4Å |
| 720 | T | 95.5 | Very high | 92.6 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.4 | -47.9 | 176.5 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | D716 G717 M723 E724 | D716-T720 PolarHBondContact O-N 3.44Å; D716-T720 VanDerWaalsContact O-N 3.1Å; D716-T720 PolarHBondContact O-OG1 2.88Å; D716-T720 VanDerWaalsContact O-OG1 3.07Å; G717-T720 PolarHBondContact O-N 3.19Å; T720-M723 PolarHBondContact O-N 3.5Å; T720-E724 HydrophobicContact CG2-CG 4.49Å; T720-E724 WeakPolarHBondContact CG2-OE1 3.5Å; T720-E724 WeakPolarHBondContact O-CG 3.36Å; T720-E724 PolarHBondContact O-N 2.88Å |
| 721 | I | 94.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 179.7 | -67 | 161 | 0 | 0 | 0 | 111.3 | V681 L684 R685 G717 L718 I719 M723 E724 I725 | V681-I721 HydrophobicContact CB-CD1 4.29Å; V681-I721 HydrophobicContact CG1-CD1 3.74Å; V681-I721 HydrophobicContact CG2-CD1 3.96Å; L684-I721 HydrophobicContact CB-CG2 3.89Å; R685-I721 HydrophobicContact CG-CG1 4.43Å; R685-I721 HydrophobicContact CG-CG2 4.02Å; G717-I721 WeakPolarHBondContact O-CD1 3.41Å; G717-I721 VanDerWaalsContact O-CG1 3.28Å; G717-I721 WeakPolarHBondContact O-CG1 3.38Å; G717-I721 PolarHBondContact O-N 3.38Å; L718-I721 PolarHBondContact O-N 3.26Å; I719-I721 PolarHBondContact O-N 3.49Å; I721-M723 VanDerWaalsContact C-N 3.26Å; I721-M723 PolarHBondContact O-N 3.37Å; I721-E724 WeakPolarHBondContact O-CB 3.08Å; I721-E724 PolarHBondContact O-N 3.11Å; I721-I725 HydrophobicContact CG2-CD1 3.93Å; I721-I725 VanDerWaalsContact O-CG1 3.32Å; I721-I725 WeakPolarHBondContact O-CG1 3.39Å; I721-I725 PolarHBondContact O-N 2.75Å |
| 722 | M | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60 | -37.8 | 177.9 | -75.3 | -171.6 | -68.7 | 0 | 0 | 112.2 | L700 L718 I719 I725 L726 I739 T742 F743 L746 | L700-M722 HydrophobicContact CD2-CE 4.19Å; L700-M722 HydrophobicContact CD2-SD 4.15Å; L718-M722 WeakPolarHBondContact O-CG 3.36Å; L718-M722 PolarHBondContact O-N 3.33Å; I719-M722 HydrophobicContact CD1-CE 3.84Å; I719-M722 HydrophobicContact CG1-CE 4.45Å; I719-M722 PolarHBondContact O-N 3.2Å; M722-I725 PolarHBondContact O-N 3.46Å; M722-L726 WeakPolarHBondContact O-CG 3.45Å; M722-L726 PolarHBondContact O-N 3.14Å; M722-I739 HydrophobicContact CB-CG2 3.76Å; M722-I739 HydrophobicContact CG-CG1 4.41Å; M722-I739 HydrophobicContact CG-CG2 4.07Å; M722-I739 HydrophobicContact SD-CG2 4Å; M722-T742 HydrophobicContact SD-CG2 4.19Å; M722-F743 HydrophobicContact CB-CE1 4.19Å; M722-F743 HydrophobicContact CB-CZ 4.26Å; M722-F743 HydrophobicContact CE-CD1 4.02Å; M722-F743 HydrophobicContact CE-CE1 3.65Å; M722-F743 HydrophobicContact SD-CD1 4.48Å; M722-F743 HydrophobicContact SD-CE1 4.09Å; M722-L746 HydrophobicContact CE-CD1 3.49Å; M722-L746 VanDerWaalsContact CE-CD1 3.49Å |
| 723 | M | 94.5 | Very high | 92.1 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.8 | -36.9 | 177 | -65.7 | -64.8 | -86.8 | 0 | 0 | 112.6 | I719 T720 I721 I725 L726 Q727 F743 I760 T764 | I719-M723 HydrophobicContact CG2-CG 4.25Å; I719-M723 WeakPolarHBondContact O-CB 3.4Å; I719-M723 WeakPolarHBondContact O-CG 3.33Å; I719-M723 PolarHBondContact O-N 3.25Å; T720-M723 PolarHBondContact O-N 3.5Å; I721-M723 VanDerWaalsContact C-N 3.26Å; I721-M723 PolarHBondContact O-N 3.37Å; M723-I725 VanDerWaalsContact C-N 3.35Å; M723-L726 PolarHBondContact O-N 3.31Å; M723-L726 HydrophobicContact SD-CD1 4.23Å; M723-Q727 VanDerWaalsContact O-CG 3.29Å; M723-Q727 WeakPolarHBondContact O-CG 3.35Å; M723-Q727 PolarHBondContact O-N 2.91Å; M723-Q727 VanDerWaalsContact O-N 3.14Å; M723-F743 HydrophobicContact SD-CE2 4.4Å; M723-F743 HydrophobicContact SD-CZ 3.83Å; M723-I760 HydrophobicContact CE-CB 4.24Å; M723-I760 HydrophobicContact CE-CD1 3.35Å; M723-I760 HydrophobicContact CE-CG1 3.36Å; M723-I760 HydrophobicContact CE-CG2 4.08Å; M723-T764 WeakPolarHBondContact CE-OG1 3.45Å |
| 724 | E | 93.9 | Very high | 92 | Very high | 96 Ų | 96 | 51 Ų | 51 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 171.5 | -72.6 | 168.5 | 178.1 | 0 | 0 | 110.8 | T720 I721 L726 Q727 D728 | T720-E724 HydrophobicContact CG2-CG 4.49Å; T720-E724 WeakPolarHBondContact CG2-OE1 3.5Å; T720-E724 WeakPolarHBondContact O-CG 3.36Å; T720-E724 PolarHBondContact O-N 2.88Å; I721-E724 WeakPolarHBondContact O-CB 3.08Å; I721-E724 PolarHBondContact O-N 3.11Å; E724-L726 PolarHBondContact O-N 3.24Å; E724-Q727 PolarHBondContact O-N 3.41Å; E724-D728 PolarHBondContact O-N 3.22Å; E724-D728 VanDerWaalsContact O-N 3.14Å |
| 725 | I | 93.2 | Very high | 92 | Very high | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 178.9 | -61.6 | 162 | 0 | 0 | 0 | 111.3 | L684 I721 M722 M723 Q727 D728 A731 L735 I739 | L684-I725 WeakPolarHBondContact O-CD1 3.45Å; I721-I725 HydrophobicContact CG2-CD1 3.93Å; I721-I725 VanDerWaalsContact O-CG1 3.32Å; I721-I725 WeakPolarHBondContact O-CG1 3.39Å; I721-I725 PolarHBondContact O-N 2.75Å; M722-I725 PolarHBondContact O-N 3.46Å; M723-I725 VanDerWaalsContact C-N 3.35Å; I725-Q727 PolarHBondContact O-N 3.45Å; I725-D728 PolarHBondContact O-N 3.09Å; I725-A731 HydrophobicContact CG2-CB 4.2Å; I725-L735 HydrophobicContact CG2-CB 4.38Å; I725-L735 HydrophobicContact CG2-CD1 4.06Å; I725-I739 HydrophobicContact CB-CD1 3.87Å; I725-I739 HydrophobicContact CD1-CD1 4.31Å; I725-I739 HydrophobicContact CG2-CD1 3.62Å |
| 726 | L | 93.1 | Very high | 92 | Very high | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -28.9 | 178.6 | -71.9 | 178.8 | 0 | 0 | 0 | 113.1 | M722 M723 E724 R736 I739 L740 F743 T764 | M722-L726 WeakPolarHBondContact O-CG 3.45Å; M722-L726 PolarHBondContact O-N 3.14Å; M723-L726 PolarHBondContact O-N 3.31Å; M723-L726 HydrophobicContact SD-CD1 4.23Å; E724-L726 PolarHBondContact O-N 3.24Å; L726-R736 HydrophobicContact CD2-CB 3.99Å; L726-R736 HydrophobicContact CD2-CG 3.81Å; L726-I739 HydrophobicContact CD1-CG2 3.75Å; L726-I739 HydrophobicContact CD2-CB 4.18Å; L726-I739 HydrophobicContact CD2-CD1 4.1Å; L726-I739 HydrophobicContact CD2-CG2 4.13Å; L726-I739 HydrophobicContact CG-CB 4.46Å; L726-I739 HydrophobicContact CG-CD1 4.18Å; L726-I739 HydrophobicContact CG-CG2 3.92Å; L726-L740 HydrophobicContact CD1-CD2 4.37Å; L726-F743 HydrophobicContact CD1-CE2 3.9Å; L726-F743 HydrophobicContact CD1-CZ 4.13Å; L726-T764 HydrophobicContact CD1-CG2 3.68Å |
| 727 | Q | 91 | Very high | 92.1 | Very high | 150 Ų | 150 | 48.7 Ų | 48.7 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -84.8 | -16.3 | 178.6 | -70.9 | 176.3 | 7 | 0 | 0 | 113.5 | M723 E724 I725 I729 | M723-Q727 VanDerWaalsContact O-CG 3.29Å; M723-Q727 WeakPolarHBondContact O-CG 3.35Å; M723-Q727 PolarHBondContact O-N 2.91Å; M723-Q727 VanDerWaalsContact O-N 3.14Å; E724-Q727 PolarHBondContact O-N 3.41Å; I725-Q727 PolarHBondContact O-N 3.45Å; Q727-I729 PolarHBondContact O-N 2.7Å |
| 728 | D | 88.7 | Confident | 92.1 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 20% | 0.198 | 25% | 0.246 | C | C | . | . | trans | -74.8 | 123.7 | 177.3 | -174.3 | 11.6 | 0 | 0 | 0 | 111.3 | H687 E724 I725 N730 A731 R736 | H687-D728 IonicContact CE1-OD2 2.98Å; H687-D728 PolarHBondContact CE1-OD2 3.39Å; H687-D728 IonicContact ND1-OD2 3.15Å; H687-D728 PolarHBondContact ND1-OD2 2.87Å; H687-D728 IonicContact NE2-OD2 3.49Å; E724-D728 PolarHBondContact O-N 3.22Å; E724-D728 VanDerWaalsContact O-N 3.14Å; I725-D728 PolarHBondContact O-N 3.09Å; D728-N730 VanDerWaalsContact C-N 3.26Å; D728-N730 PolarHBondContact O-N 2.73Å; D728-N730 WeakPolarHBondContact OD1-CB 3.2Å; D728-N730 PolarHBondContact OD1-N 2.87Å; D728-N730 PolarHBondContact OD1-ND2 2.83Å; D728-A731 HydrophobicContact CB-CB 4.02Å; D728-A731 PolarHBondContact O-N 3.05Å; D728-R736 PolarHBondContact O-NH2 3.17Å | ||
| 729 | I | 84.9 | Confident | 92.2 | Very high | 153 Ų | 153 | 48 Ų | 48 | 79% | 0.785 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -26.5 | 177.9 | -59.2 | 169.8 | 0 | 0 | 0 | 110.4 | Q727 | Q727-I729 PolarHBondContact O-N 2.7Š|
| 730 | N | 83.7 | Confident | 92.3 | Very high | 140 Ų | 140 | 47.7 Ų | 47.7 | 75% | 0.749 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -11 | 179.9 | -53.1 | -61.4 | 0 | 0 | 0 | 113 | D728 | D728-N730 VanDerWaalsContact C-N 3.26Å; D728-N730 PolarHBondContact O-N 2.73Å; D728-N730 WeakPolarHBondContact OD1-CB 3.2Å; D728-N730 PolarHBondContact OD1-N 2.87Å; D728-N730 PolarHBondContact OD1-ND2 2.83Å |
| 731 | A | 86.4 | Confident | 92.3 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -69.3 | 133.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I725 D728 L735 R736 | I725-A731 HydrophobicContact CG2-CB 4.2Å; D728-A731 HydrophobicContact CB-CB 4.02Å; D728-A731 PolarHBondContact O-N 3.05Å; A731-L735 HydrophobicContact CB-CD1 4.32Å; A731-R736 PolarHBondContact O-NH1 3.2Å |
| 732 | H | 89.4 | Confident | 92.4 | Very high | 89 Ų | 89 | 45.2 Ų | 45.2 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | trans | -58.4 | 140.9 | -177.9 | -170.9 | -90.6 | 0 | 0 | 0 | 112 | T690 S734 L735 | T690-H732 HydrophobicContact CG2-CB 3.71Å; T690-H732 VanDerWaalsContact OG1-CB 3.29Å; T690-H732 WeakPolarHBondContact OG1-CB 3.39Å; H732-S734 VanDerWaalsContact C-N 3.27Å; H732-S734 PolarHBondContact CE1-OG 3.01Å; H732-S734 PolarHBondContact ND1-N 3.12Å; H732-S734 PolarHBondContact ND1-OG 2.69Å; H732-S734 PolarHBondContact O-N 3.25Å; H732-L735 WeakPolarHBondContact O-CB 3.47Å; H732-L735 PolarHBondContact O-N 3.28Å; H732-L735 VanDerWaalsContact O-N 3.13Å | ||
| 733 | K | 90.5 | Very high | 92.5 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 29% | 0.291 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -37.2 | -172.1 | 64.1 | -179.9 | 177.1 | 174.6 | 0 | 113.8 | L735 R736 P737 M780 Y783 | K733-L735 PolarHBondContact O-N 3.32Å; K733-R736 PolarHBondContact O-N 3.42Å; K733-P737 WeakPolarHBondContact O-CD 3.32Å; K733-M780 HydrophobicContact CD-SD 4.18Å; K733-M780 PolarHBondContact NZ-SD 3.25Å; K733-Y783 HydrophobicContact CB-CD2 4.08Å; K733-Y783 HydrophobicContact CB-CE1 4.47Å; K733-Y783 HydrophobicContact CB-CE2 3.68Å; K733-Y783 HydrophobicContact CD-CD1 4.24Å; K733-Y783 HydrophobicContact CD-CD2 4.06Å; K733-Y783 HydrophobicContact CD-CE2 4.48Å; K733-Y783 HydrophobicContact CD-CG 3.94Å; K733-Y783 HydrophobicContact CG-CD2 3.98Å; K733-Y783 HydrophobicContact CG-CE2 4.12Å; K733-Y783 HydrophobicContact CG-CG 4.38Å; K733-Y783 VanDerWaalsContact O-CE2 3.23Å; K733-Y783 WeakPolarHBondContact O-CE2 3.35Å |
| 734 | S | 90.7 | Very high | 92.6 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.5 | -179.2 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | M694 H732 R736 P737 | M694-S734 VanDerWaalsContact CE-OG 3.25Å; M694-S734 WeakPolarHBondContact CE-OG 3.43Å; H732-S734 VanDerWaalsContact C-N 3.27Å; H732-S734 PolarHBondContact CE1-OG 3.01Å; H732-S734 PolarHBondContact ND1-N 3.12Å; H732-S734 PolarHBondContact ND1-OG 2.69Å; H732-S734 PolarHBondContact O-N 3.25Å; S734-R736 VanDerWaalsContact C-N 3.3Å; S734-R736 PolarHBondContact O-N 3.18Å; S734-P737 WeakPolarHBondContact O-CD 3.49Å |
| 735 | L | 93.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.1 | -28.9 | 176.5 | -65.5 | 174.7 | 0 | 0 | 0 | 112.2 | H687 T690 C693 M694 I725 A731 H732 K733 A738 I739 | H687-L735 HydrophobicContact CB-CD1 4.01Å; T690-L735 HydrophobicContact CG2-CD2 4.27Å; T690-L735 HydrophobicContact CG2-CG 4.3Å; C693-L735 HydrophobicContact CB-CD2 3.93Å; M694-L735 HydrophobicContact CB-CD2 4.3Å; I725-L735 HydrophobicContact CG2-CB 4.38Å; I725-L735 HydrophobicContact CG2-CD1 4.06Å; A731-L735 HydrophobicContact CB-CD1 4.32Å; H732-L735 WeakPolarHBondContact O-CB 3.47Å; H732-L735 PolarHBondContact O-N 3.28Å; H732-L735 VanDerWaalsContact O-N 3.13Å; K733-L735 PolarHBondContact O-N 3.32Å; L735-A738 PolarHBondContact O-N 3.3Å; L735-I739 WeakPolarHBondContact O-CG1 3.36Å; L735-I739 PolarHBondContact O-N 3.37Å; L735-I739 VanDerWaalsContact O-N 3.08Å |
| 736 | R | 94.9 | Very high | 92.8 | Very high | 63 Ų | 63 | 40.5 Ų | 40.5 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -54.9 | -177.5 | -60.2 | 179.8 | 174.9 | 77.9 | 8 | 111.6 | L726 D728 A731 K733 S734 A738 I739 L740 L787 | L726-R736 HydrophobicContact CD2-CB 3.99Å; L726-R736 HydrophobicContact CD2-CG 3.81Å; D728-R736 PolarHBondContact O-NH2 3.17Å; A731-R736 PolarHBondContact O-NH1 3.2Å; K733-R736 PolarHBondContact O-N 3.42Å; S734-R736 VanDerWaalsContact C-N 3.3Å; S734-R736 PolarHBondContact O-N 3.18Å; R736-A738 VanDerWaalsContact C-N 3.35Å; R736-A738 PolarHBondContact O-N 3.34Å; R736-I739 PolarHBondContact O-N 3.46Å; R736-L740 VanDerWaalsContact O-CG 3.28Å; R736-L740 WeakPolarHBondContact O-CG 3.48Å; R736-L740 PolarHBondContact O-N 3.18Å; R736-L787 HydrophobicContact CB-CD1 4.24Å |
| 737 | P | 95.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -50.3 | -49.8 | 174.6 | -26.5 | 32 | 0 | 0 | 0 | 113.6 | K733 S734 I739 L740 S741 Y783 L787 S790 | K733-P737 WeakPolarHBondContact O-CD 3.32Å; S734-P737 WeakPolarHBondContact O-CD 3.49Å; P737-I739 PolarHBondContact O-N 3.08Å; P737-L740 PolarHBondContact O-N 3.14Å; P737-S741 PolarHBondContact O-N 3.44Å; P737-Y783 HydrophobicContact CG-CE2 4.16Å; P737-L787 HydrophobicContact CG-CB 4.24Å; P737-L787 HydrophobicContact CG-CD1 4.18Å; P737-S790 WeakPolarHBondContact CA-OG 3.36Å; P737-S790 VanDerWaalsContact CB-OG 3.27Å; P737-S790 WeakPolarHBondContact CB-OG 3.47Å; P737-S790 WeakPolarHBondContact O-CB 3.48Å; P737-S790 PolarHBondContact O-OG 3.4Å |
| 738 | A | 95.2 | Very high | 93 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | M694 V697 L735 R736 T742 | M694-A738 HydrophobicContact CG-CB 4.48Å; V697-A738 HydrophobicContact CG1-CB 3.92Å; V697-A738 WeakPolarHBondContact CG1-O 3.44Å; L735-A738 PolarHBondContact O-N 3.3Å; R736-A738 VanDerWaalsContact C-N 3.35Å; R736-A738 PolarHBondContact O-N 3.34Å; A738-T742 PolarHBondContact O-N 2.87Å; A738-T742 VanDerWaalsContact O-N 3.11Å; A738-T742 PolarHBondContact O-OG1 3.34Å |
| 739 | I | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.7 | -69.7 | 169.2 | 0 | 0 | 0 | 110.8 | V697 M722 I725 L726 L735 R736 P737 T742 F743 | V697-I739 HydrophobicContact CG1-CG1 4.28Å; V697-I739 HydrophobicContact CG2-CG1 4.03Å; M722-I739 HydrophobicContact CB-CG2 3.76Å; M722-I739 HydrophobicContact CG-CG1 4.41Å; M722-I739 HydrophobicContact CG-CG2 4.07Å; M722-I739 HydrophobicContact SD-CG2 4Å; I725-I739 HydrophobicContact CB-CD1 3.87Å; I725-I739 HydrophobicContact CD1-CD1 4.31Å; I725-I739 HydrophobicContact CG2-CD1 3.62Å; L726-I739 HydrophobicContact CD1-CG2 3.75Å; L726-I739 HydrophobicContact CD2-CB 4.18Å; L726-I739 HydrophobicContact CD2-CD1 4.1Å; L726-I739 HydrophobicContact CD2-CG2 4.13Å; L726-I739 HydrophobicContact CG-CB 4.46Å; L726-I739 HydrophobicContact CG-CD1 4.18Å; L726-I739 HydrophobicContact CG-CG2 3.92Å; L735-I739 WeakPolarHBondContact O-CG1 3.36Å; L735-I739 PolarHBondContact O-N 3.37Å; L735-I739 VanDerWaalsContact O-N 3.08Å; R736-I739 PolarHBondContact O-N 3.46Å; P737-I739 PolarHBondContact O-N 3.08Å; I739-T742 WeakPolarHBondContact O-CB 3.49Å; I739-T742 PolarHBondContact O-N 3.2Å; I739-F743 HydrophobicContact CG2-CE1 4.33Å; I739-F743 HydrophobicContact CG2-CE2 3.91Å; I739-F743 HydrophobicContact CG2-CZ 3.78Å; I739-F743 PolarHBondContact O-N 3.06Å; I739-F743 VanDerWaalsContact O-N 3.12Å |
| 740 | L | 97.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | -180 | -66.6 | -179.5 | 0 | 0 | 0 | 111.6 | L726 R736 P737 T742 F743 T764 L765 A768 L787 A794 | L726-L740 HydrophobicContact CD1-CD2 4.37Å; R736-L740 VanDerWaalsContact O-CG 3.28Å; R736-L740 WeakPolarHBondContact O-CG 3.48Å; R736-L740 PolarHBondContact O-N 3.18Å; P737-L740 PolarHBondContact O-N 3.14Å; L740-T742 VanDerWaalsContact C-N 3.29Å; L740-T742 PolarHBondContact O-N 3.47Å; L740-F743 HydrophobicContact CD2-CD2 4.09Å; L740-F743 HydrophobicContact CD2-CE2 4.1Å; L740-F743 WeakPolarHBondContact O-CB 2.83Å; L740-F743 PolarHBondContact O-N 3.33Å; L740-T764 HydrophobicContact CD2-CG2 3.99Å; L740-L765 HydrophobicContact CB-CD2 4.29Å; L740-L765 HydrophobicContact CD1-CD2 4.42Å; L740-L765 HydrophobicContact CD2-CD2 3.91Å; L740-L765 HydrophobicContact CG-CD2 4.42Å; L740-A768 HydrophobicContact CD1-CB 3.64Å; L740-L787 HydrophobicContact CD1-CD1 3.66Å; L740-A794 WeakPolarHBondContact O-CB 3.48Å |
| 741 | S | 95.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 20.8 Ų | 20.8 | 15% | 0.154 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61 | -39.6 | 176.5 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | P737 F743 G744 D745 E793 | P737-S741 PolarHBondContact O-N 3.44Å; S741-F743 VanDerWaalsContact C-N 3.29Å; S741-F743 PolarHBondContact O-N 2.84Å; S741-G744 WeakPolarHBondContact O-CA 3.39Å; S741-G744 PolarHBondContact O-N 3.03Å; S741-D745 PolarHBondContact O-N 2.87Å; S741-E793 PolarHBondContact OG-OE2 3.35Å |
| 742 | T | 96.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -30.1 | 177.1 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | V697 L700 M722 A738 I739 L740 G744 D745 L746 | V697-T742 WeakPolarHBondContact CG1-OG1 3.32Å; L700-T742 HydrophobicContact CB-CG2 4.43Å; L700-T742 HydrophobicContact CD2-CG2 4Å; L700-T742 HydrophobicContact CG-CG2 4.01Å; M722-T742 HydrophobicContact SD-CG2 4.19Å; A738-T742 PolarHBondContact O-N 2.87Å; A738-T742 VanDerWaalsContact O-N 3.11Å; A738-T742 PolarHBondContact O-OG1 3.34Å; I739-T742 WeakPolarHBondContact O-CB 3.49Å; I739-T742 PolarHBondContact O-N 3.2Å; L740-T742 VanDerWaalsContact C-N 3.29Å; L740-T742 PolarHBondContact O-N 3.47Å; T742-G744 PolarHBondContact O-N 3.28Å; T742-D745 PolarHBondContact O-N 2.94Å; T742-L746 HydrophobicContact CG2-CD1 4.37Å; T742-L746 PolarHBondContact O-N 3.4Å |
| 743 | F | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -33.4 | 170.9 | -67.8 | -38.4 | 0 | 0 | 0 | 112.5 | I719 M722 M723 L726 I739 L740 S741 L746 S747 V761 | I719-F743 HydrophobicContact CD1-CD1 3.93Å; I719-F743 HydrophobicContact CD1-CE1 3.78Å; M722-F743 HydrophobicContact CB-CE1 4.19Å; M722-F743 HydrophobicContact CB-CZ 4.26Å; M722-F743 HydrophobicContact CE-CD1 4.02Å; M722-F743 HydrophobicContact CE-CE1 3.65Å; M722-F743 HydrophobicContact SD-CD1 4.48Å; M722-F743 HydrophobicContact SD-CE1 4.09Å; M723-F743 HydrophobicContact SD-CE2 4.4Å; M723-F743 HydrophobicContact SD-CZ 3.83Å; L726-F743 HydrophobicContact CD1-CE2 3.9Å; L726-F743 HydrophobicContact CD1-CZ 4.13Å; I739-F743 HydrophobicContact CG2-CE1 4.33Å; I739-F743 HydrophobicContact CG2-CE2 3.91Å; I739-F743 HydrophobicContact CG2-CZ 3.78Å; I739-F743 PolarHBondContact O-N 3.06Å; I739-F743 VanDerWaalsContact O-N 3.12Å; L740-F743 HydrophobicContact CD2-CD2 4.09Å; L740-F743 HydrophobicContact CD2-CE2 4.1Å; L740-F743 WeakPolarHBondContact O-CB 2.83Å; L740-F743 PolarHBondContact O-N 3.33Å; S741-F743 VanDerWaalsContact C-N 3.29Å; S741-F743 PolarHBondContact O-N 2.84Å; F743-L746 HydrophobicContact CD1-CD1 4.42Å; F743-S747 PolarHBondContact O-N 2.72Å; F743-V761 HydrophobicContact CB-CG1 3.89Å; F743-V761 HydrophobicContact CD1-CG2 4.14Å; F743-V761 HydrophobicContact CD2-CG1 3.89Å; F743-V761 HydrophobicContact CD2-CG2 4.3Å; F743-V761 HydrophobicContact CE1-CG2 4.28Å; F743-V761 HydrophobicContact CE2-CG2 4.44Å; F743-V761 HydrophobicContact CG-CG1 3.96Å; F743-V761 HydrophobicContact CG-CG2 4.16Å; F743-V761 HydrophobicContact CZ-CG2 4.44Å |
| 744 | G | 95.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -47.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | S741 T742 L746 S747 L748 | S741-G744 WeakPolarHBondContact O-CA 3.39Å; S741-G744 PolarHBondContact O-N 3.03Å; T742-G744 PolarHBondContact O-N 3.28Å; G744-L746 PolarHBondContact O-N 3.14Å; G744-S747 PolarHBondContact O-N 3.03Å; G744-L748 PolarHBondContact O-N 3.41Å |
| 745 | D | 95.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 24.6 Ų | 24.6 | 9% | 0.086 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 177 | -75.5 | -41.8 | 0 | 0 | 0 | 112 | C704 R705 S741 T742 S747 L748 A749 | C704-D745 HydrophobicContact CB-CB 4.02Å; R705-D745 IonicContact CZ-OD1 3.09Å; R705-D745 IonicContact CZ-OD2 2.93Å; R705-D745 IonicContact NE-OD1 2.69Å; R705-D745 PolarHBondContact NE-OD1 3.01Å; R705-D745 IonicContact NE-OD2 3.37Å; R705-D745 IonicContact NH2-OD1 3.96Å; R705-D745 PolarHBondContact NH2-OD1 3.1Å; R705-D745 VanDerWaalsContact NH2-OD1 3.15Å; R705-D745 IonicContact NH2-OD2 2.91Å; R705-D745 PolarHBondContact NH2-OD2 3.36Å; S741-D745 PolarHBondContact O-N 2.87Å; T742-D745 PolarHBondContact O-N 2.94Å; D745-S747 PolarHBondContact O-N 3.07Å; D745-L748 PolarHBondContact O-N 2.82Å; D745-A749 WeakPolarHBondContact O-CB 3.44Å; D745-A749 PolarHBondContact O-N 3.28Å |
| 746 | L | 95.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 174.3 | -82 | 163.7 | 0 | 0 | 0 | 112.1 | C704 I719 M722 T742 F743 G744 L748 A749 L750 F754 | C704-L746 WeakPolarHBondContact SG-CD2 3.39Å; I719-L746 HydrophobicContact CD1-CD1 3.84Å; M722-L746 HydrophobicContact CE-CD1 3.49Å; M722-L746 VanDerWaalsContact CE-CD1 3.49Å; T742-L746 HydrophobicContact CG2-CD1 4.37Å; T742-L746 PolarHBondContact O-N 3.4Å; F743-L746 HydrophobicContact CD1-CD1 4.42Å; G744-L746 PolarHBondContact O-N 3.14Å; L746-L748 VanDerWaalsContact C-N 3.34Å; L746-A749 PolarHBondContact O-N 3.29Å; L746-L750 WeakPolarHBondContact O-CB 3.41Å; L746-L750 VanDerWaalsContact O-CG 3.27Å; L746-L750 WeakPolarHBondContact O-CG 3.47Å; L746-L750 PolarHBondContact O-N 3.47Å; L746-F754 HydrophobicContact CB-CD2 4.31Å; L746-F754 HydrophobicContact CB-CE2 3.89Å |
| 747 | S | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 177.2 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | F743 G744 D745 G751 F754 I798 G801 | F743-S747 PolarHBondContact O-N 2.72Å; G744-S747 PolarHBondContact O-N 3.03Å; D745-S747 PolarHBondContact O-N 3.07Å; S747-G751 WeakPolarHBondContact O-CA 3.37Å; S747-G751 PolarHBondContact O-N 2.95Å; S747-F754 WeakPolarHBondContact OG-CD1 2.96Å; S747-I798 WeakPolarHBondContact OG-CA 3.45Å; S747-G801 WeakPolarHBondContact O-CA 3.37Å |
| 748 | L | 93.3 | Very high | 93.5 | Very high | 75 Ų | 75 | 28.3 Ų | 28.3 | 39% | 0.393 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 173.3 | -74.8 | 169.5 | 0 | 0 | 0 | 111.7 | G744 D745 L746 Q800 | G744-L748 PolarHBondContact O-N 3.41Å; D745-L748 PolarHBondContact O-N 2.82Å; L746-L748 VanDerWaalsContact C-N 3.34Å; L748-Q800 HydrophobicContact CD2-CB 3.63Å |
| 749 | A | 93 | Very high | 93.4 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 5% | 0.05 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.8 | -40.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C704 N708 K709 D745 L746 | C704-A749 HydrophobicContact CB-CB 3.84Å; C704-A749 VanDerWaalsContact O-CB 3.29Å; C704-A749 WeakPolarHBondContact O-CB 3.38Å; N708-A749 CarbonylContact C-O 3.56Å; K709-A749 PolarHBondContact N-O 3.08Å; D745-A749 WeakPolarHBondContact O-CB 3.44Å; D745-A749 PolarHBondContact O-N 3.28Å; L746-A749 PolarHBondContact O-N 3.29Å |
| 750 | L | 92.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -91.3 | -27.4 | -173.6 | -60 | -176 | 0 | 0 | 0 | 113.1 | L712 C715 L746 S752 E753 F754 Y757 | L712-L750 HydrophobicContact CB-CD2 4.24Å; L712-L750 HydrophobicContact CD1-CD1 4.47Å; L712-L750 HydrophobicContact CD1-CD2 4.08Å; C715-L750 HydrophobicContact CB-CD1 4.26Å; L746-L750 WeakPolarHBondContact O-CB 3.41Å; L746-L750 VanDerWaalsContact O-CG 3.27Å; L746-L750 WeakPolarHBondContact O-CG 3.47Å; L746-L750 PolarHBondContact O-N 3.47Å; L750-S752 PolarHBondContact O-N 3.18Å; L750-E753 HydrophobicContact CB-CB 4.31Å; L750-E753 PolarHBondContact O-N 3.3Å; L750-F754 HydrophobicContact CB-CB 4.31Å; L750-F754 HydrophobicContact CD1-CD2 4.27Å; L750-Y757 HydrophobicContact CD1-CE2 4.13Å |
| 751 | G | 89.2 | Confident | 93.3 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | 59.6 | -125.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S747 E753 F754 G801 | S747-G751 WeakPolarHBondContact O-CA 3.37Å; S747-G751 PolarHBondContact O-N 2.95Å; G751-E753 PolarHBondContact O-N 3.11Å; G751-E753 VanDerWaalsContact O-N 3.14Å; G751-F754 VanDerWaalsContact O-CB 3.25Å; G751-F754 WeakPolarHBondContact O-CB 3.26Å; G751-F754 PolarHBondContact O-N 3.02Å; G751-G801 WeakPolarHBondContact CA-O 3.36Å |
| 752 | S | 85.7 | Confident | 93.2 | Very high | 63 Ų | 63 | 32.4 Ų | 32.4 | 44% | 0.441 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -58.6 | -26.7 | -178.1 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | L750 F754 W755 | L750-S752 PolarHBondContact O-N 3.18Å; S752-F754 PolarHBondContact O-N 3.08Å; S752-W755 VanDerWaalsContact O-CB 3.28Å; S752-W755 WeakPolarHBondContact O-CB 3.19Å; S752-W755 PolarHBondContact O-N 3Å |
| 753 | E | 88.7 | Confident | 93.1 | Very high | 98 Ų | 98 | 37.8 Ų | 37.8 | 46% | 0.458 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -68.6 | -19.3 | 178.7 | -58.6 | -56.8 | 139.3 | 0 | 0 | 112.4 | L712 L750 G751 W755 | L712-E753 HydrophobicContact CD1-CB 3.95Å; L712-E753 HydrophobicContact CD1-CG 4.43Å; L712-E753 HydrophobicContact CD2-CG 4.35Å; L750-E753 HydrophobicContact CB-CB 4.31Å; L750-E753 PolarHBondContact O-N 3.3Å; G751-E753 PolarHBondContact O-N 3.11Å; G751-E753 VanDerWaalsContact O-N 3.14Å; E753-W755 PolarHBondContact O-N 3.46Å; E753-W755 VanDerWaalsContact O-N 3.14Å |
| 754 | F | 92.2 | Very high | 93 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -64.9 | -15.3 | 175.7 | -166.6 | -104.9 | 0 | 0 | 0 | 113 | L746 S747 L750 G751 S752 K756 Y757 L758 V761 I798 | L746-F754 HydrophobicContact CB-CD2 4.31Å; L746-F754 HydrophobicContact CB-CE2 3.89Å; S747-F754 WeakPolarHBondContact OG-CD1 2.96Å; L750-F754 HydrophobicContact CB-CB 4.31Å; L750-F754 HydrophobicContact CD1-CD2 4.27Å; G751-F754 VanDerWaalsContact O-CB 3.25Å; G751-F754 WeakPolarHBondContact O-CB 3.26Å; G751-F754 PolarHBondContact O-N 3.02Å; S752-F754 PolarHBondContact O-N 3.08Å; F754-K756 PolarHBondContact O-N 3.3Å; F754-Y757 AromaticContact CD2-CD2 3.92Å; F754-Y757 HydrophobicContact CD2-CD2 3.92Å; F754-Y757 HydrophobicContact CE2-CD2 4.22Å; F754-Y757 PolarHBondContact O-N 3.33Å; F754-L758 HydrophobicContact CD1-CB 4.38Å; F754-L758 HydrophobicContact CD1-CD1 4.23Å; F754-L758 HydrophobicContact CE1-CD1 4.21Å; F754-L758 PolarHBondContact O-N 3.37Å; F754-L758 VanDerWaalsContact O-N 3.08Å; F754-V761 HydrophobicContact CE1-CG1 4.39Å; F754-V761 HydrophobicContact CZ-CB 4.36Å; F754-V761 HydrophobicContact CZ-CG1 4.19Å; F754-V761 HydrophobicContact CZ-CG2 3.97Å; F754-I798 HydrophobicContact CE1-CG1 4.14Å |
| 755 | W | 89.4 | Confident | 93.1 | Very high | 116 Ų | 116 | 38.8 Ų | 38.8 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -46.3 | -36.3 | 175.6 | 174 | -104.5 | 0 | 0 | 0 | 113.7 | S752 E753 Y757 L758 P759 A812 F815 | S752-W755 VanDerWaalsContact O-CB 3.28Å; S752-W755 WeakPolarHBondContact O-CB 3.19Å; S752-W755 PolarHBondContact O-N 3Å; E753-W755 PolarHBondContact O-N 3.46Å; E753-W755 VanDerWaalsContact O-N 3.14Å; W755-Y757 PolarHBondContact O-N 3.06Å; W755-L758 HydrophobicContact CE3-CD2 3.72Å; W755-L758 HydrophobicContact CZ3-CD2 3.9Å; W755-L758 PolarHBondContact O-N 3.32Å; W755-P759 WeakPolarHBondContact O-CD 3.4Å; W755-A812 HydrophobicContact CE3-CB 3.65Å; W755-A812 HydrophobicContact CZ3-CB 4.18Å; W755-F815 HydrophobicContact CH2-CB 3.72Å; W755-F815 HydrophobicContact CH2-CD1 4.46Å; W755-F815 AromaticContact CH2-CD2 3.88Å; W755-F815 HydrophobicContact CH2-CD2 3.88Å; W755-F815 AromaticContact CH2-CG 3.78Å; W755-F815 HydrophobicContact CH2-CG 3.78Å; W755-F815 HydrophobicContact CZ3-CB 3.43Å; W755-F815 VanDerWaalsContact CZ3-CB 3.43Å; W755-F815 HydrophobicContact CZ3-CD1 4.09Å; W755-F815 HydrophobicContact CZ3-CD2 4.28Å; W755-F815 AromaticContact CZ3-CG 3.69Å; W755-F815 HydrophobicContact CZ3-CG 3.69Å |
| 756 | K | 92 | Very high | 93 | Very high | 130 Ų | 130 | 39.4 Ų | 39.4 | 57% | 0.565 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -57.7 | -35.1 | 179 | -175.3 | 178 | -179.1 | -179.5 | 0 | 113.2 | D716 F754 | D716-K756 WeakPolarHBondContact OD1-CE 3.41Å; D716-K756 IonicContact OD1-NZ 3.88Å; D716-K756 PolarHBondContact OD1-NZ 2.96Å; D716-K756 IonicContact OD2-NZ 2.96Å; D716-K756 PolarHBondContact OD2-NZ 3.22Å; F754-K756 PolarHBondContact O-N 3.3Å |
| 757 | Y | 94.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 45 Ų | 45 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -15.6 | -175.5 | -41.4 | -68.5 | 0 | 0 | 0 | 112.4 | C715 D716 I719 L750 F754 W755 I760 V761 | C715-Y757 HydrophobicContact CB-CE2 4.27Å; C715-Y757 WeakPolarHBondContact CB-OH 3.41Å; D716-Y757 PolarHBondContact N-OH 2.93Å; D716-Y757 VanDerWaalsContact OD1-CE1 3.26Å; D716-Y757 WeakPolarHBondContact OD1-CE1 3.37Å; D716-Y757 PolarHBondContact OD1-OH 3.14Å; I719-Y757 HydrophobicContact CB-CD1 4.1Å; I719-Y757 HydrophobicContact CB-CE1 4.27Å; I719-Y757 HydrophobicContact CD1-CG 4.23Å; I719-Y757 HydrophobicContact CG1-CD1 3.83Å; I719-Y757 HydrophobicContact CG1-CD2 4.28Å; I719-Y757 HydrophobicContact CG1-CE1 3.99Å; I719-Y757 HydrophobicContact CG1-CE2 4.44Å; I719-Y757 HydrophobicContact CG1-CG 3.96Å; I719-Y757 HydrophobicContact CG2-CD1 3.87Å; I719-Y757 HydrophobicContact CG2-CE1 4.47Å; I719-Y757 HydrophobicContact CG2-CG 4.4Å; L750-Y757 HydrophobicContact CD1-CE2 4.13Å; F754-Y757 AromaticContact CD2-CD2 3.92Å; F754-Y757 HydrophobicContact CD2-CD2 3.92Å; F754-Y757 HydrophobicContact CE2-CD2 4.22Å; F754-Y757 PolarHBondContact O-N 3.33Å; W755-Y757 PolarHBondContact O-N 3.06Å; Y757-I760 VanDerWaalsContact O-CG2 3.27Å; Y757-I760 WeakPolarHBondContact O-CG2 3.43Å; Y757-I760 PolarHBondContact O-N 3.18Å; Y757-V761 WeakPolarHBondContact O-CG2 3.48Å; Y757-V761 PolarHBondContact O-N 3.42Å |
| 758 | L | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.7 | -45.6 | -173.1 | -176.4 | 67.2 | 0 | 0 | 0 | 114.4 | F754 W755 I760 V761 L762 I798 L802 A812 F815 V816 | F754-L758 HydrophobicContact CD1-CB 4.38Å; F754-L758 HydrophobicContact CD1-CD1 4.23Å; F754-L758 HydrophobicContact CE1-CD1 4.21Å; F754-L758 PolarHBondContact O-N 3.37Å; F754-L758 VanDerWaalsContact O-N 3.08Å; W755-L758 HydrophobicContact CE3-CD2 3.72Å; W755-L758 HydrophobicContact CZ3-CD2 3.9Å; W755-L758 PolarHBondContact O-N 3.32Å; L758-I760 PolarHBondContact O-N 3.25Å; L758-V761 PolarHBondContact O-N 3.2Å; L758-L762 HydrophobicContact CD1-CD1 3.75Å; L758-L762 HydrophobicContact CD1-CD2 4.49Å; L758-L762 HydrophobicContact CD1-CG 3.9Å; L758-L762 HydrophobicContact CG-CD1 3.81Å; L758-L762 HydrophobicContact CG-CG 4.33Å; L758-L762 WeakPolarHBondContact O-CB 3.25Å; L758-L762 WeakPolarHBondContact O-CG 3.42Å; L758-L762 PolarHBondContact O-N 2.99Å; L758-I798 HydrophobicContact CD1-CG2 3.71Å; L758-L802 HydrophobicContact CD1-CD1 4.02Å; L758-L802 HydrophobicContact CD2-CD1 3.78Å; L758-A812 HydrophobicContact CD2-CB 4.42Å; L758-F815 HydrophobicContact CD2-CD1 3.85Å; L758-F815 HydrophobicContact CG-CD1 4.22Å; L758-F815 HydrophobicContact CG-CE1 4.47Å; L758-V816 HydrophobicContact CD1-CG2 4.13Å; L758-V816 HydrophobicContact CD2-CG2 3.86Å; L758-V816 HydrophobicContact CG-CG2 4.44Å |
| 759 | P | 93.7 | Very high | 93 | Very high | 60 Ų | 60 | 43 Ų | 43 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.3 | -45.3 | -178.5 | -24.3 | 35.4 | 0 | 0 | 0 | 113.1 | W755 E763 F815 | W755-P759 WeakPolarHBondContact O-CD 3.4Å; P759-E763 PolarHBondContact O-N 2.82Å; P759-F815 HydrophobicContact CB-CE1 4.4Å; P759-F815 HydrophobicContact CB-CZ 4.15Å; P759-F815 HydrophobicContact CG-CE1 4.29Å; P759-F815 HydrophobicContact CG-CZ 4.16Å |
| 760 | I | 94.4 | Very high | 93 | Very high | 78 Ų | 78 | 48.8 Ų | 48.8 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.8 | -38.4 | -176.8 | -156.8 | 177.6 | 0 | 0 | 0 | 111.1 | M723 Y757 L758 E763 T764 | M723-I760 HydrophobicContact CE-CB 4.24Å; M723-I760 HydrophobicContact CE-CD1 3.35Å; M723-I760 HydrophobicContact CE-CG1 3.36Å; M723-I760 HydrophobicContact CE-CG2 4.08Å; Y757-I760 VanDerWaalsContact O-CG2 3.27Å; Y757-I760 WeakPolarHBondContact O-CG2 3.43Å; Y757-I760 PolarHBondContact O-N 3.18Å; L758-I760 PolarHBondContact O-N 3.25Å; I760-E763 PolarHBondContact O-N 3.11Å; I760-T764 PolarHBondContact O-N 2.81Å; I760-T764 PolarHBondContact O-OG1 3.16Å; I760-T764 VanDerWaalsContact O-OG1 3.06Å |
| 761 | V | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 176.9 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | F743 F754 Y757 L758 E763 T764 L765 I798 | F743-V761 HydrophobicContact CB-CG1 3.89Å; F743-V761 HydrophobicContact CD1-CG2 4.14Å; F743-V761 HydrophobicContact CD2-CG1 3.89Å; F743-V761 HydrophobicContact CD2-CG2 4.3Å; F743-V761 HydrophobicContact CE1-CG2 4.28Å; F743-V761 HydrophobicContact CE2-CG2 4.44Å; F743-V761 HydrophobicContact CG-CG1 3.96Å; F743-V761 HydrophobicContact CG-CG2 4.16Å; F743-V761 HydrophobicContact CZ-CG2 4.44Å; F754-V761 HydrophobicContact CE1-CG1 4.39Å; F754-V761 HydrophobicContact CZ-CB 4.36Å; F754-V761 HydrophobicContact CZ-CG1 4.19Å; F754-V761 HydrophobicContact CZ-CG2 3.97Å; Y757-V761 WeakPolarHBondContact O-CG2 3.48Å; Y757-V761 PolarHBondContact O-N 3.42Å; L758-V761 PolarHBondContact O-N 3.2Å; V761-E763 VanDerWaalsContact C-N 3.35Å; V761-E763 PolarHBondContact O-N 3.21Å; V761-T764 PolarHBondContact O-N 3.37Å; V761-L765 HydrophobicContact CG1-CD1 4.02Å; V761-L765 HydrophobicContact CG1-CG 4.47Å; V761-L765 WeakPolarHBondContact O-CG 3.47Å; V761-L765 PolarHBondContact O-N 3.25Å; V761-I798 HydrophobicContact CG1-CD1 3.99Å |
| 762 | L | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67 | -35.2 | 177.8 | -74.1 | 174.3 | 0 | 0 | 0 | 112.8 | L758 S766 Y795 I798 F815 V816 | L758-L762 HydrophobicContact CD1-CD1 3.75Å; L758-L762 HydrophobicContact CD1-CD2 4.49Å; L758-L762 HydrophobicContact CD1-CG 3.9Å; L758-L762 HydrophobicContact CG-CD1 3.81Å; L758-L762 HydrophobicContact CG-CG 4.33Å; L758-L762 WeakPolarHBondContact O-CB 3.25Å; L758-L762 WeakPolarHBondContact O-CG 3.42Å; L758-L762 PolarHBondContact O-N 2.99Å; L762-S766 WeakPolarHBondContact O-CB 3.35Å; L762-S766 PolarHBondContact O-N 3.35Å; L762-Y795 HydrophobicContact CD2-CD1 4.26Å; L762-Y795 HydrophobicContact CD2-CE1 3.8Å; L762-I798 HydrophobicContact CD2-CD1 4.32Å; L762-F815 HydrophobicContact CD1-CD1 4.05Å; L762-F815 HydrophobicContact CD1-CE1 3.87Å; L762-V816 HydrophobicContact CD1-CG2 4.18Å |
| 763 | E | 94.6 | Very high | 93.3 | Very high | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.3 | -47.2 | 172.9 | -175.7 | 174.8 | -176 | 0 | 0 | 111 | P759 I760 V761 L765 S766 Q767 | P759-E763 PolarHBondContact O-N 2.82Å; I760-E763 PolarHBondContact O-N 3.11Å; V761-E763 VanDerWaalsContact C-N 3.35Å; V761-E763 PolarHBondContact O-N 3.21Å; E763-L765 PolarHBondContact O-N 3.01Å; E763-S766 WeakPolarHBondContact O-CB 3.48Å; E763-S766 PolarHBondContact O-N 3.11Å; E763-Q767 WeakPolarHBondContact O-CG 3.42Å; E763-Q767 PolarHBondContact O-N 3.4Å |
| 764 | T | 95.3 | Very high | 93.1 | Very high | 23 Ų | 23 | 56.7 Ų | 56.7 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 175.8 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | M723 L726 L740 I760 V761 S766 Q767 A768 | M723-T764 WeakPolarHBondContact CE-OG1 3.45Å; L726-T764 HydrophobicContact CD1-CG2 3.68Å; L740-T764 HydrophobicContact CD2-CG2 3.99Å; I760-T764 PolarHBondContact O-N 2.81Å; I760-T764 PolarHBondContact O-OG1 3.16Å; I760-T764 VanDerWaalsContact O-OG1 3.06Å; V761-T764 PolarHBondContact O-N 3.37Å; T764-S766 VanDerWaalsContact C-N 3.33Å; T764-S766 PolarHBondContact O-N 3.23Å; T764-Q767 PolarHBondContact O-N 3.32Å; T764-A768 PolarHBondContact O-N 3.25Å |
| 765 | L | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.4 | -74.6 | 169.8 | 0 | 0 | 0 | 111.4 | L740 V761 E763 Q767 A768 T769 C791 A794 Y795 I798 | L740-L765 HydrophobicContact CB-CD2 4.29Å; L740-L765 HydrophobicContact CD1-CD2 4.42Å; L740-L765 HydrophobicContact CD2-CD2 3.91Å; L740-L765 HydrophobicContact CG-CD2 4.42Å; V761-L765 HydrophobicContact CG1-CD1 4.02Å; V761-L765 HydrophobicContact CG1-CG 4.47Å; V761-L765 WeakPolarHBondContact O-CG 3.47Å; V761-L765 PolarHBondContact O-N 3.25Å; E763-L765 PolarHBondContact O-N 3.01Å; L765-Q767 VanDerWaalsContact C-N 3.31Å; L765-Q767 PolarHBondContact O-N 3.1Å; L765-A768 PolarHBondContact O-N 3.29Å; L765-T769 WeakPolarHBondContact O-CG2 3.47Å; L765-T769 PolarHBondContact O-N 3.08Å; L765-T769 PolarHBondContact O-OG1 2.71Å; L765-C791 HydrophobicContact CD2-CB 4.41Å; L765-A794 HydrophobicContact CD1-CB 3.97Å; L765-A794 HydrophobicContact CD2-CB 3.6Å; L765-A794 HydrophobicContact CG-CB 4.43Å; L765-Y795 HydrophobicContact CB-CE1 4.06Å; L765-Y795 HydrophobicContact CB-CE2 4.44Å; L765-Y795 HydrophobicContact CD1-CD1 4.04Å; L765-Y795 HydrophobicContact CD1-CE1 3.84Å; L765-I798 HydrophobicContact CD1-CD1 3.6Å |
| 766 | S | 95.1 | Very high | 92.5 | Very high | 30 Ų | 30 | 64.1 Ų | 64.1 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 177.1 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | L762 E763 T764 T769 Q770 | L762-S766 WeakPolarHBondContact O-CB 3.35Å; L762-S766 PolarHBondContact O-N 3.35Å; E763-S766 WeakPolarHBondContact O-CB 3.48Å; E763-S766 PolarHBondContact O-N 3.11Å; T764-S766 VanDerWaalsContact C-N 3.33Å; T764-S766 PolarHBondContact O-N 3.23Å; S766-T769 PolarHBondContact O-OG1 3.26Å; S766-Q770 WeakPolarHBondContact O-CG 3.31Å |
| 767 | Q | 93.7 | Very high | 92 | Very high | 119 Ų | 119 | 60.7 Ų | 60.7 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 175.3 | -67.7 | 173.7 | 10.5 | 0 | 0 | 111.4 | E763 T764 L765 T769 Q770 | E763-Q767 WeakPolarHBondContact O-CG 3.42Å; E763-Q767 PolarHBondContact O-N 3.4Å; T764-Q767 PolarHBondContact O-N 3.32Å; L765-Q767 VanDerWaalsContact C-N 3.31Å; L765-Q767 PolarHBondContact O-N 3.1Å; Q767-T769 VanDerWaalsContact C-N 3.32Å; Q767-T769 PolarHBondContact O-N 3.41Å; Q767-Q770 PolarHBondContact O-N 2.96Å; Q767-Q770 VanDerWaalsContact O-N 3.08Å |
| 768 | A | 94.7 | Very high | 91.5 | Very high | 18 Ų | 18 | 64.7 Ų | 64.7 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L740 T764 L765 Q770 A771 L787 | L740-A768 HydrophobicContact CD1-CB 3.64Å; T764-A768 PolarHBondContact O-N 3.25Å; L765-A768 PolarHBondContact O-N 3.29Å; A768-Q770 PolarHBondContact O-N 2.99Å; A768-Q770 VanDerWaalsContact O-N 3.16Å; A768-A771 WeakPolarHBondContact O-CB 3.37Å; A768-A771 PolarHBondContact O-N 2.85Å; A768-A771 VanDerWaalsContact O-N 3.16Å; A768-L787 HydrophobicContact CB-CD1 4.43Å |
| 769 | T | 94.9 | Very high | 91.1 | Very high | 15 Ų | 15 | 69.7 Ų | 69.7 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.1 | 176.2 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | L765 S766 Q767 C791 Y795 H822 F826 | L765-T769 WeakPolarHBondContact O-CG2 3.47Å; L765-T769 PolarHBondContact O-N 3.08Å; L765-T769 PolarHBondContact O-OG1 2.71Å; S766-T769 PolarHBondContact O-OG1 3.26Å; Q767-T769 VanDerWaalsContact C-N 3.32Å; Q767-T769 PolarHBondContact O-N 3.41Å; T769-C791 HydrophobicContact CG2-CB 4.08Å; T769-Y795 HydrophobicContact CG2-CE2 4.01Å; T769-H822 PolarHBondContact OG1-CE1 2.94Å; T769-H822 PolarHBondContact OG1-NE2 3.23Å; T769-F826 HydrophobicContact CG2-CD1 3.77Å; T769-F826 HydrophobicContact CG2-CD2 3.93Å; T769-F826 HydrophobicContact CG2-CE1 3.71Å; T769-F826 HydrophobicContact CG2-CE2 3.87Å; T769-F826 HydrophobicContact CG2-CG 3.87Å; T769-F826 HydrophobicContact CG2-CZ 3.74Å |
| 770 | Q | 93.7 | Very high | 91 | Very high | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.593 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 8.3 | 178.4 | -63 | 174.1 | 8.7 | 0 | 0 | 112.5 | S766 Q767 A768 E772 | S766-Q770 WeakPolarHBondContact O-CG 3.31Å; Q767-Q770 PolarHBondContact O-N 2.96Å; Q767-Q770 VanDerWaalsContact O-N 3.08Å; A768-Q770 PolarHBondContact O-N 2.99Å; A768-Q770 VanDerWaalsContact O-N 3.16Å; Q770-E772 PolarHBondContact O-N 2.95Å |
| 771 | A | 92 | Very high | 90.9 | Very high | 34 Ų | 34 | 66.5 Ų | 66.5 | 28% | 0.281 | 35% | 0.349 | S | S | . | . | trans | -63.4 | 131.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A768 L784 L787 | A768-A771 WeakPolarHBondContact O-CB 3.37Å; A768-A771 PolarHBondContact O-N 2.85Å; A768-A771 VanDerWaalsContact O-N 3.16Å; A771-L784 HydrophobicContact CB-CD1 4.41Å; A771-L787 HydrophobicContact CB-CD2 3.64Å | ||
| 772 | E | 89.8 | Confident | 90.6 | Very high | 187 Ų | 187 | 73.2 Ų | 73.2 | 87% | 0.874 | 38% | 0.38 | S | S | * | . | trans | -116.3 | 142.3 | 174.7 | -66.1 | -178.8 | 173.2 | 0 | 0 | 109.3 | Q770 | Q770-E772 PolarHBondContact O-N 2.95Š| ||
| 773 | V | 89.8 | Confident | 90.5 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | trans | -137.4 | 165.6 | -178.7 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | L775 M780 Y783 L784 | V773-L775 HydrophobicContact CG2-CD2 4.18Å; V773-L775 PolarHBondContact O-N 2.67Å; V773-M780 HydrophobicContact CB-CB 4.03Å; V773-M780 HydrophobicContact CB-CE 3.78Å; V773-M780 HydrophobicContact CG1-CE 3.64Å; V773-M780 HydrophobicContact CG2-CB 4.04Å; V773-Y783 HydrophobicContact CG1-CD1 4.31Å; V773-L784 HydrophobicContact CG1-CB 4.2Å; V773-L784 HydrophobicContact CG1-CD1 4.49Å; V773-L784 HydrophobicContact CG2-CB 3.92Å; V773-L784 HydrophobicContact CG2-CD2 3.72Å; V773-L784 HydrophobicContact CG2-CG 4.38Å | ||
| 774 | N | 86.4 | Confident | 90.6 | Very high | 90 Ų | 90 | 69.5 Ų | 69.5 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | trans | -69 | 116 | 169.9 | -174.4 | 9.8 | 0 | 0 | 0 | 109.9 | E776 D777 | N774-E776 PolarHBondContact O-N 3.33Å; N774-E776 WeakPolarHBondContact OD1-CB 3.19Å; N774-E776 PolarHBondContact OD1-N 2.76Å; N774-E776 VanDerWaalsContact OD1-N 3.08Å; N774-D777 HydrophobicContact CB-CB 4.42Å; N774-D777 PolarHBondContact O-N 3.39Å | ||
| 775 | L | 87.5 | Confident | 90.5 | Very high | 98 Ų | 98 | 69.1 Ų | 69.1 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8.4 | 180 | -61.1 | -179 | 0 | 0 | 0 | 113.4 | V773 D777 V781 L784 I835 | V773-L775 HydrophobicContact CG2-CD2 4.18Å; V773-L775 PolarHBondContact O-N 2.67Å; L775-D777 VanDerWaalsContact C-N 3.31Å; L775-V781 HydrophobicContact CD2-CG2 4.28Å; L775-L784 HydrophobicContact CD2-CD2 4.43Å; L775-I835 HydrophobicContact CD2-CD1 3.92Å |
| 776 | E | 81.1 | Confident | 90.4 | Very high | 175 Ų | 175 | 71.7 Ų | 71.7 | 82% | 0.818 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -13.4 | 173.7 | -58.9 | 179.7 | 167.8 | 0 | 0 | 112.4 | N774 P778 | N774-E776 PolarHBondContact O-N 3.33Å; N774-E776 WeakPolarHBondContact OD1-CB 3.19Å; N774-E776 PolarHBondContact OD1-N 2.76Å; N774-E776 VanDerWaalsContact OD1-N 3.08Å; E776-P778 WeakPolarHBondContact O-CD 3.42Å |
| 777 | D | 81.3 | Confident | 90.5 | Very high | 58 Ų | 58 | 70.5 Ų | 70.5 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | trans | -101 | 109.5 | 179.5 | 179.7 | -13.4 | 0 | 0 | 0 | 110 | N774 L775 D779 M780 V781 | N774-D777 HydrophobicContact CB-CB 4.42Å; N774-D777 PolarHBondContact O-N 3.39Å; L775-D777 VanDerWaalsContact C-N 3.31Å; D777-D779 VanDerWaalsContact C-N 3.27Å; D777-D779 PolarHBondContact O-N 3.34Å; D777-D779 WeakPolarHBondContact OD1-CB 3.16Å; D777-D779 PolarHBondContact OD1-N 3.28Å; D777-M780 HydrophobicContact CB-CB 4Å; D777-M780 HydrophobicContact CB-CG 3.98Å; D777-M780 PolarHBondContact O-N 2.87Å; D777-M780 VanDerWaalsContact O-N 3.09Å; D777-M780 PolarHBondContact OD1-N 2.77Å; D777-M780 VanDerWaalsContact OD2-CG 3.22Å; D777-M780 WeakPolarHBondContact OD2-CG 3.47Å; D777-V781 PolarHBondContact O-N 2.79Å | ||
| 778 | P | 83.8 | Confident | 90.6 | Very high | 99 Ų | 99 | 65.5 Ų | 65.5 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -55.7 | -37.3 | -179.3 | -25.5 | 35 | 0 | 0 | 0 | 113.9 | E776 M780 V781 E782 | E776-P778 WeakPolarHBondContact O-CD 3.42Å; P778-M780 VanDerWaalsContact C-N 3.27Å; P778-M780 PolarHBondContact O-N 2.6Å; P778-V781 WeakPolarHBondContact O-CB 3.18Å; P778-V781 PolarHBondContact O-N 2.91Å; P778-E782 PolarHBondContact O-N 2.7Å |
| 779 | D | 84.9 | Confident | 90.7 | Very high | 106 Ų | 106 | 65.9 Ų | 65.9 | 57% | 0.567 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.9 | -32.2 | -179.6 | -66.8 | -14.1 | 0 | 0 | 0 | 111.3 | D777 Y783 | D777-D779 VanDerWaalsContact C-N 3.27Å; D777-D779 PolarHBondContact O-N 3.34Å; D777-D779 WeakPolarHBondContact OD1-CB 3.16Å; D777-D779 PolarHBondContact OD1-N 3.28Å; D779-Y783 VanDerWaalsContact O-CB 3.3Å; D779-Y783 WeakPolarHBondContact O-CB 3.42Å; D779-Y783 PolarHBondContact O-N 2.93Å |
| 780 | M | 91.2 | Very high | 90.8 | Very high | 44 Ų | 44 | 65.7 Ų | 65.7 | 22% | 0.217 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -77.1 | -33.4 | 176.1 | -68.5 | -59 | -63.6 | 0 | 0 | 111.7 | K733 V773 D777 P778 Y783 L784 | K733-M780 HydrophobicContact CD-SD 4.18Å; K733-M780 PolarHBondContact NZ-SD 3.25Å; V773-M780 HydrophobicContact CB-CB 4.03Å; V773-M780 HydrophobicContact CB-CE 3.78Å; V773-M780 HydrophobicContact CG1-CE 3.64Å; V773-M780 HydrophobicContact CG2-CB 4.04Å; D777-M780 HydrophobicContact CB-CB 4Å; D777-M780 HydrophobicContact CB-CG 3.98Å; D777-M780 PolarHBondContact O-N 2.87Å; D777-M780 VanDerWaalsContact O-N 3.09Å; D777-M780 PolarHBondContact OD1-N 2.77Å; D777-M780 VanDerWaalsContact OD2-CG 3.22Å; D777-M780 WeakPolarHBondContact OD2-CG 3.47Å; P778-M780 VanDerWaalsContact C-N 3.27Å; P778-M780 PolarHBondContact O-N 2.6Å; M780-Y783 HydrophobicContact CE-CD1 4.06Å; M780-L784 WeakPolarHBondContact O-CB 3.32Å; M780-L784 PolarHBondContact O-N 3Å |
| 781 | V | 91.3 | Very high | 91 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 16% | 0.158 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 171.5 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L775 D777 P778 L784 N785 I835 | L775-V781 HydrophobicContact CD2-CG2 4.28Å; D777-V781 PolarHBondContact O-N 2.79Å; P778-V781 WeakPolarHBondContact O-CB 3.18Å; P778-V781 PolarHBondContact O-N 2.91Å; V781-L784 PolarHBondContact O-N 2.86Å; V781-N785 WeakPolarHBondContact O-CB 3.4Å; V781-N785 PolarHBondContact O-N 3.23Å; V781-I835 HydrophobicContact CG1-CB 3.93Å; V781-I835 HydrophobicContact CG1-CD1 4.15Å; V781-I835 HydrophobicContact CG1-CG2 4.08Å |
| 782 | E | 90.5 | Very high | 91.2 | Very high | 141 Ų | 141 | 58 Ų | 58 | 66% | 0.659 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.2 | -46.8 | 175.6 | -170.9 | -177.1 | 177.9 | 0 | 0 | 111.3 | P778 L784 N785 S786 | P778-E782 PolarHBondContact O-N 2.7Å; E782-L784 PolarHBondContact O-N 3.47Å; E782-N785 PolarHBondContact O-N 2.96Å; E782-S786 WeakPolarHBondContact O-CB 3.39Å; E782-S786 PolarHBondContact O-N 2.76Å |
| 783 | Y | 93.4 | Very high | 91.5 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 14% | 0.137 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.8 | -46.6 | 175.1 | 167.5 | -110 | 0 | 0 | 0 | 112.4 | K733 P737 V773 D779 M780 N785 S786 L787 | K733-Y783 HydrophobicContact CB-CD2 4.08Å; K733-Y783 HydrophobicContact CB-CE1 4.47Å; K733-Y783 HydrophobicContact CB-CE2 3.68Å; K733-Y783 HydrophobicContact CD-CD1 4.24Å; K733-Y783 HydrophobicContact CD-CD2 4.06Å; K733-Y783 HydrophobicContact CD-CE2 4.48Å; K733-Y783 HydrophobicContact CD-CG 3.94Å; K733-Y783 HydrophobicContact CG-CD2 3.98Å; K733-Y783 HydrophobicContact CG-CE2 4.12Å; K733-Y783 HydrophobicContact CG-CG 4.38Å; K733-Y783 VanDerWaalsContact O-CE2 3.23Å; K733-Y783 WeakPolarHBondContact O-CE2 3.35Å; P737-Y783 HydrophobicContact CG-CE2 4.16Å; V773-Y783 HydrophobicContact CG1-CD1 4.31Å; D779-Y783 VanDerWaalsContact O-CB 3.3Å; D779-Y783 WeakPolarHBondContact O-CB 3.42Å; D779-Y783 PolarHBondContact O-N 2.93Å; M780-Y783 HydrophobicContact CE-CD1 4.06Å; Y783-N785 VanDerWaalsContact C-N 3.35Å; Y783-N785 PolarHBondContact O-N 2.95Å; Y783-S786 PolarHBondContact O-N 3.34Å; Y783-L787 WeakPolarHBondContact O-CB 3.42Å; Y783-L787 PolarHBondContact O-N 3Å |
| 784 | L | 95.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 178.8 | 178.7 | 60.9 | 0 | 0 | 0 | 111.4 | A771 V773 L775 M780 V781 E782 L787 R788 I835 | A771-L784 HydrophobicContact CB-CD1 4.41Å; V773-L784 HydrophobicContact CG1-CB 4.2Å; V773-L784 HydrophobicContact CG1-CD1 4.49Å; V773-L784 HydrophobicContact CG2-CB 3.92Å; V773-L784 HydrophobicContact CG2-CD2 3.72Å; V773-L784 HydrophobicContact CG2-CG 4.38Å; L775-L784 HydrophobicContact CD2-CD2 4.43Å; M780-L784 WeakPolarHBondContact O-CB 3.32Å; M780-L784 PolarHBondContact O-N 3Å; V781-L784 PolarHBondContact O-N 2.86Å; E782-L784 PolarHBondContact O-N 3.47Å; L784-L787 PolarHBondContact O-N 3.03Å; L784-R788 HydrophobicContact CD1-CG 4.19Å; L784-R788 HydrophobicContact CG-CG 4.47Å; L784-R788 WeakPolarHBondContact O-CB 3.49Å; L784-R788 WeakPolarHBondContact O-CG 3.32Å; L784-R788 PolarHBondContact O-N 3.15Å; L784-I835 HydrophobicContact CD2-CD1 3.88Å |
| 785 | N | 94.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 176.7 | -77.8 | -23.1 | 0 | 0 | 0 | 112.3 | V781 E782 Y783 T789 I835 L840 | V781-N785 WeakPolarHBondContact O-CB 3.4Å; V781-N785 PolarHBondContact O-N 3.23Å; E782-N785 PolarHBondContact O-N 2.96Å; Y783-N785 VanDerWaalsContact C-N 3.35Å; Y783-N785 PolarHBondContact O-N 2.95Å; N785-T789 WeakPolarHBondContact O-CB 3.46Å; N785-T789 PolarHBondContact O-N 3.33Å; N785-T789 PolarHBondContact O-OG1 3.44Å; N785-I835 PolarHBondContact ND2-O 3.35Å; N785-L840 HydrophobicContact CB-CD1 4.11Å; N785-L840 WeakPolarHBondContact OD1-CD1 3.5Å |
| 786 | S | 94.6 | Very high | 92.8 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | E782 Y783 T789 S790 | E782-S786 WeakPolarHBondContact O-CB 3.39Å; E782-S786 PolarHBondContact O-N 2.76Å; Y783-S786 PolarHBondContact O-N 3.34Å; S786-T789 PolarHBondContact O-N 2.89Å; S786-S790 PolarHBondContact O-N 3.5Å; S786-S790 PolarHBondContact O-OG 2.97Å |
| 787 | L | 96.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 176.1 | -176.1 | 69.2 | 0 | 0 | 0 | 111.6 | R736 P737 L740 A768 A771 Y783 L784 T789 S790 C791 | R736-L787 HydrophobicContact CB-CD1 4.24Å; P737-L787 HydrophobicContact CG-CB 4.24Å; P737-L787 HydrophobicContact CG-CD1 4.18Å; L740-L787 HydrophobicContact CD1-CD1 3.66Å; A768-L787 HydrophobicContact CB-CD1 4.43Å; A771-L787 HydrophobicContact CB-CD2 3.64Å; Y783-L787 WeakPolarHBondContact O-CB 3.42Å; Y783-L787 PolarHBondContact O-N 3Å; L784-L787 PolarHBondContact O-N 3.03Å; L787-T789 PolarHBondContact O-N 3.18Å; L787-S790 PolarHBondContact O-N 3.46Å; L787-C791 PolarHBondContact O-N 3.27Å; L787-C791 PolarHBondContact O-SG 3.19Å; L787-C791 VanDerWaalsContact O-SG 3.38Å |
| 788 | R | 97 | Very high | 94.1 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 178 | -74.1 | 170 | 169.2 | -177.1 | -5.4 | 111.7 | L784 C791 L792 F826 H829 I830 D833 L840 | L784-R788 HydrophobicContact CD1-CG 4.19Å; L784-R788 HydrophobicContact CG-CG 4.47Å; L784-R788 WeakPolarHBondContact O-CB 3.49Å; L784-R788 WeakPolarHBondContact O-CG 3.32Å; L784-R788 PolarHBondContact O-N 3.15Å; R788-C791 PolarHBondContact O-N 3.44Å; R788-L792 WeakPolarHBondContact O-CG 3.38Å; R788-L792 PolarHBondContact O-N 2.85Å; R788-L792 VanDerWaalsContact O-N 3.11Å; R788-F826 HydrophobicContact CB-CZ 4.03Å; R788-F826 HydrophobicContact CG-CE2 4.09Å; R788-F826 HydrophobicContact CG-CZ 3.87Å; R788-H829 PolarHBondContact NH2-NE2 3Å; R788-H829 VanDerWaalsContact NH2-NE2 3.18Å; R788-I830 HydrophobicContact CB-CD1 4.36Å; R788-D833 IonicContact CZ-OD2 3.55Å; R788-D833 VanDerWaalsContact CZ-OD2 3.31Å; R788-D833 IonicContact NH1-OD2 3.46Å; R788-D833 PolarHBondContact NH1-OD2 3Å; R788-D833 IonicContact NH2-OD2 2.89Å; R788-D833 PolarHBondContact NH2-OD2 3.31Å; R788-L840 HydrophobicContact CB-CD2 3.6Å |
| 789 | T | 96 | Very high | 94.5 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 17% | 0.166 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | N785 S786 L787 C791 L792 E793 L840 | N785-T789 WeakPolarHBondContact O-CB 3.46Å; N785-T789 PolarHBondContact O-N 3.33Å; N785-T789 PolarHBondContact O-OG1 3.44Å; S786-T789 PolarHBondContact O-N 2.89Å; L787-T789 PolarHBondContact O-N 3.18Å; T789-C791 VanDerWaalsContact C-N 3.34Å; T789-C791 PolarHBondContact O-N 3.38Å; T789-L792 WeakPolarHBondContact O-CB 3.41Å; T789-L792 PolarHBondContact O-N 2.92Å; T789-L792 VanDerWaalsContact O-N 3.08Å; T789-E793 WeakPolarHBondContact O-CG 3.45Å; T789-E793 PolarHBondContact O-N 2.99Å; T789-L840 VanDerWaalsContact OG1-CD2 3.23Å; T789-L840 WeakPolarHBondContact OG1-CD2 3.41Å |
| 790 | S | 96.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 8% | 0.077 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.3 | -36.7 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | P737 S786 L787 E793 A794 | P737-S790 WeakPolarHBondContact CA-OG 3.36Å; P737-S790 VanDerWaalsContact CB-OG 3.27Å; P737-S790 WeakPolarHBondContact CB-OG 3.47Å; P737-S790 WeakPolarHBondContact O-CB 3.48Å; P737-S790 PolarHBondContact O-OG 3.4Å; S786-S790 PolarHBondContact O-N 3.5Å; S786-S790 PolarHBondContact O-OG 2.97Å; L787-S790 PolarHBondContact O-N 3.46Å; S790-E793 PolarHBondContact O-N 3.08Å; S790-A794 VanDerWaalsContact O-CB 3.28Å; S790-A794 WeakPolarHBondContact O-CB 3.5Å; S790-A794 PolarHBondContact O-N 2.87Å |
| 791 | C | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 171.9 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | L765 T769 L787 R788 T789 A794 Y795 F826 | L765-C791 HydrophobicContact CD2-CB 4.41Å; T769-C791 HydrophobicContact CG2-CB 4.08Å; L787-C791 PolarHBondContact O-N 3.27Å; L787-C791 PolarHBondContact O-SG 3.19Å; L787-C791 VanDerWaalsContact O-SG 3.38Å; R788-C791 PolarHBondContact O-N 3.44Å; T789-C791 VanDerWaalsContact C-N 3.34Å; T789-C791 PolarHBondContact O-N 3.38Å; C791-A794 PolarHBondContact O-N 3.27Å; C791-Y795 WeakPolarHBondContact O-CD2 3.29Å; C791-Y795 PolarHBondContact O-N 3.15Å; C791-F826 HydrophobicContact CB-CE1 4.18Å; C791-F826 HydrophobicContact CB-CZ 4.37Å |
| 792 | L | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 178.2 | -66.4 | 170.9 | 0 | 0 | 0 | 111.6 | R788 T789 T796 F826 I827 I830 L840 A843 S844 L847 | R788-L792 WeakPolarHBondContact O-CG 3.38Å; R788-L792 PolarHBondContact O-N 2.85Å; R788-L792 VanDerWaalsContact O-N 3.11Å; T789-L792 WeakPolarHBondContact O-CB 3.41Å; T789-L792 PolarHBondContact O-N 2.92Å; T789-L792 VanDerWaalsContact O-N 3.08Å; L792-T796 WeakPolarHBondContact O-CB 3.45Å; L792-T796 PolarHBondContact O-N 3.27Å; L792-T796 PolarHBondContact O-OG1 3.28Å; L792-F826 HydrophobicContact CD2-CD1 4.05Å; L792-F826 HydrophobicContact CD2-CE1 3.81Å; L792-F826 HydrophobicContact CG-CE1 4.05Å; L792-I827 HydrophobicContact CD2-CG1 3.91Å; L792-I830 HydrophobicContact CD1-CD1 3.94Å; L792-I830 HydrophobicContact CD2-CD1 4.33Å; L792-I830 HydrophobicContact CG-CD1 4.34Å; L792-L840 HydrophobicContact CD1-CD2 4Å; L792-A843 HydrophobicContact CB-CB 3.89Å; L792-A843 HydrophobicContact CD1-CB 3.77Å; L792-A843 HydrophobicContact CG-CB 4.5Å; L792-S844 WeakPolarHBondContact CD1-OG 3.45Å; L792-L847 HydrophobicContact CD2-CD2 3.72Å |
| 793 | E | 95.9 | Very high | 94.5 | Very high | 84 Ų | 84 | 20.8 Ų | 20.8 | 39% | 0.393 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 174.9 | -70 | -179 | 161.2 | 0 | 0 | 111.9 | S741 T789 S790 Y795 T796 G797 | S741-E793 PolarHBondContact OG-OE2 3.35Å; T789-E793 WeakPolarHBondContact O-CG 3.45Å; T789-E793 PolarHBondContact O-N 2.99Å; S790-E793 PolarHBondContact O-N 3.08Å; E793-Y795 PolarHBondContact O-N 3.44Å; E793-T796 WeakPolarHBondContact O-CB 3.48Å; E793-T796 PolarHBondContact O-N 3.18Å; E793-T796 VanDerWaalsContact O-N 3.13Å; E793-G797 PolarHBondContact O-N 2.88Å |
| 794 | A | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.9 | -49.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L740 L765 S790 C791 T796 G797 I798 | L740-A794 WeakPolarHBondContact O-CB 3.48Å; L765-A794 HydrophobicContact CD1-CB 3.97Å; L765-A794 HydrophobicContact CD2-CB 3.6Å; L765-A794 HydrophobicContact CG-CB 4.43Å; S790-A794 VanDerWaalsContact O-CB 3.28Å; S790-A794 WeakPolarHBondContact O-CB 3.5Å; S790-A794 PolarHBondContact O-N 2.87Å; C791-A794 PolarHBondContact O-N 3.27Å; A794-T796 VanDerWaalsContact C-N 3.28Å; A794-T796 PolarHBondContact O-N 3.21Å; A794-G797 PolarHBondContact O-N 3.16Å; A794-I798 WeakPolarHBondContact O-CB 3.45Å; A794-I798 VanDerWaalsContact O-CG1 3.23Å; A794-I798 WeakPolarHBondContact O-CG1 3.36Å; A794-I798 PolarHBondContact O-N 2.97Å |
| 795 | Y | 97.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 175 | -75 | -52.9 | 0 | 0 | 0 | 112 | L762 L765 T769 C791 E793 I798 I799 I823 L847 | L762-Y795 HydrophobicContact CD2-CD1 4.26Å; L762-Y795 HydrophobicContact CD2-CE1 3.8Å; L765-Y795 HydrophobicContact CB-CE1 4.06Å; L765-Y795 HydrophobicContact CB-CE2 4.44Å; L765-Y795 HydrophobicContact CD1-CD1 4.04Å; L765-Y795 HydrophobicContact CD1-CE1 3.84Å; T769-Y795 HydrophobicContact CG2-CE2 4.01Å; C791-Y795 WeakPolarHBondContact O-CD2 3.29Å; C791-Y795 PolarHBondContact O-N 3.15Å; E793-Y795 PolarHBondContact O-N 3.44Å; Y795-I798 PolarHBondContact O-N 3.42Å; Y795-I799 WeakPolarHBondContact O-CB 3.31Å; Y795-I799 VanDerWaalsContact O-CG1 3.25Å; Y795-I799 WeakPolarHBondContact O-CG1 3.23Å; Y795-I799 PolarHBondContact O-N 3.06Å; Y795-I823 HydrophobicContact CD1-CD1 3.58Å; Y795-I823 HydrophobicContact CD1-CG1 3.97Å; Y795-I823 HydrophobicContact CD2-CG1 4.2Å; Y795-I823 HydrophobicContact CD2-CG2 4.36Å; Y795-I823 HydrophobicContact CE1-CD1 3.8Å; Y795-I823 HydrophobicContact CE1-CG1 3.83Å; Y795-I823 HydrophobicContact CE2-CG1 4.06Å; Y795-I823 HydrophobicContact CG-CD1 4Å; Y795-I823 HydrophobicContact CG-CG1 4.16Å; Y795-L847 HydrophobicContact CD2-CD2 4.4Å; Y795-L847 HydrophobicContact CG-CD2 4.46Å |
| 796 | T | 95.4 | Very high | 90.8 | Very high | 27 Ų | 27 | 30.7 Ų | 30.7 | 17% | 0.166 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -50.7 | 176.7 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | L792 E793 A794 I798 I799 Q800 D850 | L792-T796 WeakPolarHBondContact O-CB 3.45Å; L792-T796 PolarHBondContact O-N 3.27Å; L792-T796 PolarHBondContact O-OG1 3.28Å; E793-T796 WeakPolarHBondContact O-CB 3.48Å; E793-T796 PolarHBondContact O-N 3.18Å; E793-T796 VanDerWaalsContact O-N 3.13Å; A794-T796 VanDerWaalsContact C-N 3.28Å; A794-T796 PolarHBondContact O-N 3.21Å; T796-I798 VanDerWaalsContact C-N 3.33Å; T796-I798 PolarHBondContact O-N 3.28Å; T796-I799 PolarHBondContact O-N 2.99Å; T796-Q800 HydrophobicContact CG2-CG 4.48Å; T796-Q800 WeakPolarHBondContact O-CB 3.41Å; T796-Q800 WeakPolarHBondContact O-CG 3.49Å; T796-Q800 PolarHBondContact O-N 2.99Å; T796-D850 WeakPolarHBondContact CG2-OD2 3.33Å |
| 797 | G | 94.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -38 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E793 A794 G801 | E793-G797 PolarHBondContact O-N 2.88Å; A794-G797 PolarHBondContact O-N 3.16Å; G797-G801 PolarHBondContact O-N 3.42Å |
| 798 | I | 94.9 | Very high | 87 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -50.5 | 174.7 | -69.2 | 165.9 | 0 | 0 | 0 | 111.3 | S747 F754 L758 V761 L762 L765 A794 Y795 T796 L802 V816 | S747-I798 WeakPolarHBondContact OG-CA 3.45Å; F754-I798 HydrophobicContact CE1-CG1 4.14Å; L758-I798 HydrophobicContact CD1-CG2 3.71Å; V761-I798 HydrophobicContact CG1-CD1 3.99Å; L762-I798 HydrophobicContact CD2-CD1 4.32Å; L765-I798 HydrophobicContact CD1-CD1 3.6Å; A794-I798 WeakPolarHBondContact O-CB 3.45Å; A794-I798 VanDerWaalsContact O-CG1 3.23Å; A794-I798 WeakPolarHBondContact O-CG1 3.36Å; A794-I798 PolarHBondContact O-N 2.97Å; Y795-I798 PolarHBondContact O-N 3.42Å; T796-I798 VanDerWaalsContact C-N 3.33Å; T796-I798 PolarHBondContact O-N 3.28Å; I798-L802 HydrophobicContact CG2-CD1 3.78Å; I798-L802 HydrophobicContact CG2-CG 4.39Å; I798-L802 WeakPolarHBondContact O-CB 3.22Å; I798-L802 VanDerWaalsContact O-CG 3.24Å; I798-L802 WeakPolarHBondContact O-CG 3.42Å; I798-L802 PolarHBondContact O-N 3.1Å; I798-V816 HydrophobicContact CG2-CG2 4.33Å |
| 799 | I | 93.2 | Very high | 85.3 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | -178.6 | -67.8 | -64.7 | 0 | 0 | 0 | 111.1 | Y795 T796 K803 V816 D850 L851 A854 Y855 | Y795-I799 WeakPolarHBondContact O-CB 3.31Å; Y795-I799 VanDerWaalsContact O-CG1 3.25Å; Y795-I799 WeakPolarHBondContact O-CG1 3.23Å; Y795-I799 PolarHBondContact O-N 3.06Å; T796-I799 PolarHBondContact O-N 2.99Å; I799-K803 VanDerWaalsContact O-CB 3.22Å; I799-K803 WeakPolarHBondContact O-CB 3.34Å; I799-K803 PolarHBondContact O-N 3.06Å; I799-K803 VanDerWaalsContact O-N 3.17Å; I799-V816 HydrophobicContact CD1-CG1 3.6Å; I799-D850 HydrophobicContact CG2-CB 4.14Å; I799-L851 HydrophobicContact CD1-CD2 3.88Å; I799-L851 HydrophobicContact CG1-CD2 4.01Å; I799-A854 HydrophobicContact CG2-CB 3.85Å; I799-Y855 HydrophobicContact CD1-CE2 3.96Å |
| 800 | Q | 91.7 | Very high | 84 | Confident | 79 Ų | 79 | 46.4 Ų | 46.4 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.4 | -45 | 179.5 | -70.5 | -175.2 | 6.8 | 0 | 0 | 111.8 | L748 T796 L802 K803 G804 D850 | L748-Q800 HydrophobicContact CD2-CB 3.63Å; T796-Q800 HydrophobicContact CG2-CG 4.48Å; T796-Q800 WeakPolarHBondContact O-CB 3.41Å; T796-Q800 WeakPolarHBondContact O-CG 3.49Å; T796-Q800 PolarHBondContact O-N 2.99Å; Q800-L802 PolarHBondContact O-N 2.93Å; Q800-K803 PolarHBondContact O-N 3.09Å; Q800-G804 PolarHBondContact O-N 2.92Å; Q800-G804 VanDerWaalsContact O-N 3.12Å; Q800-D850 VanDerWaalsContact NE2-CG 3.34Å; Q800-D850 PolarHBondContact NE2-OD1 3.26Å; Q800-D850 PolarHBondContact NE2-OD2 2.89Å |
| 801 | G | 90.4 | Very high | 83 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S747 G751 G797 | S747-G801 WeakPolarHBondContact O-CA 3.37Å; G751-G801 WeakPolarHBondContact CA-O 3.36Å; G797-G801 PolarHBondContact O-N 3.42Å |
| 802 | L | 89.4 | Confident | 82.1 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.1 | -25.4 | 179.5 | -65 | 179.6 | 0 | 0 | 0 | 113.7 | L758 I798 Q800 T810 A812 L813 V816 | L758-L802 HydrophobicContact CD1-CD1 4.02Å; L758-L802 HydrophobicContact CD2-CD1 3.78Å; I798-L802 HydrophobicContact CG2-CD1 3.78Å; I798-L802 HydrophobicContact CG2-CG 4.39Å; I798-L802 WeakPolarHBondContact O-CB 3.22Å; I798-L802 VanDerWaalsContact O-CG 3.24Å; I798-L802 WeakPolarHBondContact O-CG 3.42Å; I798-L802 PolarHBondContact O-N 3.1Å; Q800-L802 PolarHBondContact O-N 2.93Å; L802-T810 PolarHBondContact O-OG1 3.49Å; L802-A812 HydrophobicContact CD1-CB 4.03Å; L802-A812 HydrophobicContact CD2-CB 3.76Å; L802-A812 HydrophobicContact CG-CB 4.32Å; L802-L813 HydrophobicContact CB-CD2 4Å; L802-L813 HydrophobicContact CB-CG 4.19Å; L802-V816 HydrophobicContact CD1-CG2 3.65Å |
| 803 | K | 85.7 | Confident | 81.4 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.6 | -40.6 | 175 | -175.5 | -173 | 179.6 | -171.1 | 0 | 112 | I799 Q800 L813 S853 A854 | I799-K803 VanDerWaalsContact O-CB 3.22Å; I799-K803 WeakPolarHBondContact O-CB 3.34Å; I799-K803 PolarHBondContact O-N 3.06Å; I799-K803 VanDerWaalsContact O-N 3.17Å; Q800-K803 PolarHBondContact O-N 3.09Å; K803-L813 HydrophobicContact CB-CD1 4.2Å; K803-S853 PolarHBondContact NZ-OG 2.94Å; K803-A854 HydrophobicContact CD-CB 4.33Å |
| 804 | G | 76.9 | Confident | 80.8 | Confident | 41 Ų | 41 | 52 Ų | 52 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -160.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q800 | Q800-G804 PolarHBondContact O-N 2.92Å; Q800-G804 VanDerWaalsContact O-N 3.12Å |
| 805 | D | 68 | Low | 80.3 | Confident | 183 Ų | 183 | 55.7 Ų | 55.7 | 98% | 0.979 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.3 | -174.4 | -62.5 | -40.6 | 0 | 0 | 0 | 114.7 | ||
| 806 | G | 61.4 | Low | 79.9 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -114.6 | 153 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q808 | G806-Q808 PolarHBondContact O-N 3.4Š|
| 807 | P | 53.7 | Low | 79.6 | Confident | 144 Ų | 144 | 56.5 Ų | 56.5 | 94% | 0.935 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -80.2 | 30 | -179.2 | 33.9 | -36 | 0 | 0 | 0 | 114.1 | ||
| 808 | Q | 55.9 | Low | 79.3 | Confident | 159 Ų | 159 | 59.6 Ų | 59.6 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | trans | -107.7 | 119.5 | -175.9 | -69.2 | -174 | -0.6 | 0 | 0 | 111.2 | G806 T810 | G806-Q808 PolarHBondContact O-N 3.4Å; Q808-T810 PolarHBondContact O-N 3.47Å; Q808-T810 VanDerWaalsContact O-N 3.12Å | ||
| 809 | S | 61.2 | Low | 79.2 | Confident | 82 Ų | 82 | 62 Ų | 62 | 57% | 0.573 | 38% | 0.381 | S | S | * | . | trans | -57.2 | 113.5 | 166.5 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 810 | T | 69.8 | Low | 79.2 | Confident | 46 Ų | 46 | 62 Ų | 62 | 28% | 0.282 | 38% | 0.381 | S | S | . | . | trans | -86 | 152.2 | 173.4 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | L802 Q808 A812 L813 E814 | L802-T810 PolarHBondContact O-OG1 3.49Å; Q808-T810 PolarHBondContact O-N 3.47Å; Q808-T810 VanDerWaalsContact O-N 3.12Å; T810-A812 PolarHBondContact O-N 3.44Å; T810-L813 PolarHBondContact O-N 3.44Å; T810-L813 PolarHBondContact OG1-N 2.9Å; T810-E814 PolarHBondContact O-N 3.02Å; T810-E814 VanDerWaalsContact O-N 3.12Å | ||
| 811 | A | 74.5 | Confident | 79.3 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 58% | 0.579 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -53.6 | -28.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | E814 F815 | A811-E814 PolarHBondContact O-N 2.94Å; A811-F815 PolarHBondContact O-N 3.27Å; A811-F815 VanDerWaalsContact O-N 3.1Å |
| 812 | A | 78.8 | Confident | 79.5 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W755 L758 L802 T810 E814 F815 V816 | W755-A812 HydrophobicContact CE3-CB 3.65Å; W755-A812 HydrophobicContact CZ3-CB 4.18Å; L758-A812 HydrophobicContact CD2-CB 4.42Å; L802-A812 HydrophobicContact CD1-CB 4.03Å; L802-A812 HydrophobicContact CD2-CB 3.76Å; L802-A812 HydrophobicContact CG-CB 4.32Å; T810-A812 PolarHBondContact O-N 3.44Å; A812-E814 VanDerWaalsContact C-N 3.3Å; A812-E814 PolarHBondContact O-N 2.82Å; A812-F815 WeakPolarHBondContact O-CB 3.31Å; A812-F815 PolarHBondContact O-N 3.03Å; A812-V816 WeakPolarHBondContact O-CG2 3.22Å; A812-V816 PolarHBondContact O-N 3.17Å; A812-V816 VanDerWaalsContact O-N 3.1Å |
| 813 | L | 82.6 | Confident | 79.8 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63 | -36 | 174.7 | -79.1 | 176.8 | 0 | 0 | 0 | 112.6 | L802 K803 T810 F815 V816 A817 Y855 | L802-L813 HydrophobicContact CB-CD2 4Å; L802-L813 HydrophobicContact CB-CG 4.19Å; K803-L813 HydrophobicContact CB-CD1 4.2Å; T810-L813 PolarHBondContact O-N 3.44Å; T810-L813 PolarHBondContact OG1-N 2.9Å; L813-F815 VanDerWaalsContact C-N 3.33Å; L813-V816 PolarHBondContact O-N 3.48Å; L813-A817 PolarHBondContact O-N 3.38Å; L813-Y855 WeakPolarHBondContact O-CE1 3.46Å; L813-Y855 PolarHBondContact O-OH 3.28Å |
| 814 | E | 84 | Confident | 80.3 | Confident | 127 Ų | 127 | 60.8 Ų | 60.8 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.1 | -37.7 | 175.1 | -69.1 | -178.7 | 176.9 | 0 | 0 | 112.2 | T810 A811 A812 A817 | T810-E814 PolarHBondContact O-N 3.02Å; T810-E814 VanDerWaalsContact O-N 3.12Å; A811-E814 PolarHBondContact O-N 2.94Å; A812-E814 VanDerWaalsContact C-N 3.3Å; A812-E814 PolarHBondContact O-N 2.82Å; E814-A817 WeakPolarHBondContact O-CB 3.41Å; E814-A817 PolarHBondContact O-N 2.86Å |
| 815 | F | 86.7 | Confident | 81.1 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 34% | 0.342 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 173.1 | -174.8 | -99.2 | 0 | 0 | 0 | 111.8 | W755 L758 P759 L762 A811 A812 L813 A817 G818 | W755-F815 HydrophobicContact CH2-CB 3.72Å; W755-F815 HydrophobicContact CH2-CD1 4.46Å; W755-F815 AromaticContact CH2-CD2 3.88Å; W755-F815 HydrophobicContact CH2-CD2 3.88Å; W755-F815 AromaticContact CH2-CG 3.78Å; W755-F815 HydrophobicContact CH2-CG 3.78Å; W755-F815 HydrophobicContact CZ3-CB 3.43Å; W755-F815 VanDerWaalsContact CZ3-CB 3.43Å; W755-F815 HydrophobicContact CZ3-CD1 4.09Å; W755-F815 HydrophobicContact CZ3-CD2 4.28Å; W755-F815 AromaticContact CZ3-CG 3.69Å; W755-F815 HydrophobicContact CZ3-CG 3.69Å; L758-F815 HydrophobicContact CD2-CD1 3.85Å; L758-F815 HydrophobicContact CG-CD1 4.22Å; L758-F815 HydrophobicContact CG-CE1 4.47Å; P759-F815 HydrophobicContact CB-CE1 4.4Å; P759-F815 HydrophobicContact CB-CZ 4.15Å; P759-F815 HydrophobicContact CG-CE1 4.29Å; P759-F815 HydrophobicContact CG-CZ 4.16Å; L762-F815 HydrophobicContact CD1-CD1 4.05Å; L762-F815 HydrophobicContact CD1-CE1 3.87Å; A811-F815 PolarHBondContact O-N 3.27Å; A811-F815 VanDerWaalsContact O-N 3.1Å; A812-F815 WeakPolarHBondContact O-CB 3.31Å; A812-F815 PolarHBondContact O-N 3.03Å; L813-F815 VanDerWaalsContact C-N 3.33Å; F815-A817 PolarHBondContact O-N 3.27Å; F815-G818 PolarHBondContact O-N 2.9Å |
| 816 | V | 89.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -25.6 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | L758 L762 I798 I799 L802 A812 L813 G818 H819 V820 Y855 | L758-V816 HydrophobicContact CD1-CG2 4.13Å; L758-V816 HydrophobicContact CD2-CG2 3.86Å; L758-V816 HydrophobicContact CG-CG2 4.44Å; L762-V816 HydrophobicContact CD1-CG2 4.18Å; I798-V816 HydrophobicContact CG2-CG2 4.33Å; I799-V816 HydrophobicContact CD1-CG1 3.6Å; L802-V816 HydrophobicContact CD1-CG2 3.65Å; A812-V816 WeakPolarHBondContact O-CG2 3.22Å; A812-V816 PolarHBondContact O-N 3.17Å; A812-V816 VanDerWaalsContact O-N 3.1Å; L813-V816 PolarHBondContact O-N 3.48Å; V816-G818 PolarHBondContact O-N 3.27Å; V816-G818 VanDerWaalsContact O-N 3.13Å; V816-H819 WeakPolarHBondContact O-CA 3.37Å; V816-H819 WeakPolarHBondContact O-CB 3.19Å; V816-H819 PolarHBondContact O-N 3.44Å; V816-V820 PolarHBondContact O-N 3.05Å; V816-Y855 VanDerWaalsContact CB-OH 3.3Å; V816-Y855 WeakPolarHBondContact CB-OH 3.45Å |
| 817 | A | 88.1 | Confident | 84.2 | Confident | 45 Ų | 45 | 52 Ų | 52 | 37% | 0.372 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55 | -33.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L813 E814 F815 H819 V820 Y855 | L813-A817 PolarHBondContact O-N 3.38Å; E814-A817 WeakPolarHBondContact O-CB 3.41Å; E814-A817 PolarHBondContact O-N 2.86Å; F815-A817 PolarHBondContact O-N 3.27Å; A817-H819 PolarHBondContact O-N 3.2Å; A817-V820 PolarHBondContact O-N 3.31Å; A817-Y855 HydrophobicContact CB-CD1 4.34Å; A817-Y855 HydrophobicContact CB-CE1 3.67Å; A817-Y855 PolarHBondContact N-OH 2.95Å |
| 818 | G | 89.4 | Confident | 86.1 | Confident | 67 Ų | 67 | 48 Ų | 48 | 69% | 0.691 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | F815 V816 | F815-G818 PolarHBondContact O-N 2.9Å; V816-G818 PolarHBondContact O-N 3.27Å; V816-G818 VanDerWaalsContact O-N 3.13Å |
| 819 | H | 92.6 | Very high | 87.9 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -11.9 | -179.2 | -64.7 | -95.4 | 0 | 0 | 0 | 113.4 | V816 A817 S821 H822 I823 | V816-H819 WeakPolarHBondContact O-CA 3.37Å; V816-H819 WeakPolarHBondContact O-CB 3.19Å; V816-H819 PolarHBondContact O-N 3.44Å; A817-H819 PolarHBondContact O-N 3.2Å; H819-S821 VanDerWaalsContact C-N 3.25Å; H819-S821 PolarHBondContact O-N 3.36Å; H819-H822 WeakPolarHBondContact O-CB 3.42Å; H819-H822 PolarHBondContact O-N 3.19Å; H819-I823 WeakPolarHBondContact O-CG1 3.32Å; H819-I823 PolarHBondContact O-N 3.17Å; H819-I823 VanDerWaalsContact O-N 3.08Å |
| 820 | V | 93.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.6 | -37.6 | -176.1 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | V816 A817 H822 I823 L824 L851 Y855 I859 L862 | V816-V820 PolarHBondContact O-N 3.05Å; A817-V820 PolarHBondContact O-N 3.31Å; V820-H822 VanDerWaalsContact C-N 3.34Å; V820-H822 PolarHBondContact O-N 2.68Å; V820-I823 PolarHBondContact O-N 2.93Å; V820-L824 HydrophobicContact CG1-CD1 3.84Å; V820-L824 HydrophobicContact CG1-CG 4.28Å; V820-L824 WeakPolarHBondContact O-CG 3.29Å; V820-L824 PolarHBondContact O-N 3.43Å; V820-L851 HydrophobicContact CG1-CD2 4.39Å; V820-L851 HydrophobicContact CG2-CD2 4.15Å; V820-Y855 HydrophobicContact CG2-CD2 3.9Å; V820-Y855 HydrophobicContact CG2-CE2 3.41Å; V820-Y855 VanDerWaalsContact CG2-CE2 3.41Å; V820-I859 HydrophobicContact CG1-CG2 3.94Å; V820-L862 HydrophobicContact CG1-CD1 4.45Å |
| 821 | S | 93.1 | Very high | 90.5 | Very high | 73 Ų | 73 | 39.5 Ų | 39.5 | 51% | 0.51 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.7 | -171 | 0 | 0 | 0 | 0 | 112 | H819 S825 | H819-S821 VanDerWaalsContact C-N 3.25Å; H819-S821 PolarHBondContact O-N 3.36Å; S821-S825 WeakPolarHBondContact O-CB 3.29Å; S821-S825 PolarHBondContact O-N 3.01Å |
| 822 | H | 94.4 | Very high | 91.2 | Very high | 52 Ų | 52 | 40.5 Ų | 40.5 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 176.3 | 179 | 73.4 | 0 | 0 | 0 | 111.3 | T769 H819 V820 L824 S825 F826 | T769-H822 PolarHBondContact OG1-CE1 2.94Å; T769-H822 PolarHBondContact OG1-NE2 3.23Å; H819-H822 WeakPolarHBondContact O-CB 3.42Å; H819-H822 PolarHBondContact O-N 3.19Å; V820-H822 VanDerWaalsContact C-N 3.34Å; V820-H822 PolarHBondContact O-N 2.68Å; H822-L824 PolarHBondContact O-N 2.52Å; H822-S825 WeakPolarHBondContact O-CB 3.38Å; H822-S825 PolarHBondContact O-N 3.23Å; H822-S825 VanDerWaalsContact O-N 3.14Å; H822-F826 WeakPolarHBondContact O-CB 3.47Å; H822-F826 PolarHBondContact O-N 2.85Å |
| 823 | I | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 179.1 | -61.5 | 169.6 | 0 | 0 | 0 | 110.9 | Y795 H819 V820 S825 F826 I827 L847 L851 | Y795-I823 HydrophobicContact CD1-CD1 3.58Å; Y795-I823 HydrophobicContact CD1-CG1 3.97Å; Y795-I823 HydrophobicContact CD2-CG1 4.2Å; Y795-I823 HydrophobicContact CD2-CG2 4.36Å; Y795-I823 HydrophobicContact CE1-CD1 3.8Å; Y795-I823 HydrophobicContact CE1-CG1 3.83Å; Y795-I823 HydrophobicContact CE2-CG1 4.06Å; Y795-I823 HydrophobicContact CG-CD1 4Å; Y795-I823 HydrophobicContact CG-CG1 4.16Å; H819-I823 WeakPolarHBondContact O-CG1 3.32Å; H819-I823 PolarHBondContact O-N 3.17Å; H819-I823 VanDerWaalsContact O-N 3.08Å; V820-I823 PolarHBondContact O-N 2.93Å; I823-S825 VanDerWaalsContact C-N 3.34Å; I823-S825 PolarHBondContact O-N 3.41Å; I823-F826 WeakPolarHBondContact O-CB 3.31Å; I823-F826 PolarHBondContact O-N 3.49Å; I823-I827 HydrophobicContact CG2-CD1 4.24Å; I823-I827 WeakPolarHBondContact O-CG1 3.35Å; I823-I827 PolarHBondContact O-N 3.4Å; I823-L847 HydrophobicContact CG2-CD2 3.65Å; I823-L847 HydrophobicContact CG2-CG 4.24Å; I823-L851 HydrophobicContact CG2-CD1 3.95Å |
| 824 | L | 95.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.9 | -33.3 | 177.8 | -69.8 | 172.6 | 0 | 0 | 0 | 112.4 | V820 H822 Q828 L851 L862 V863 I868 | V820-L824 HydrophobicContact CG1-CD1 3.84Å; V820-L824 HydrophobicContact CG1-CG 4.28Å; V820-L824 WeakPolarHBondContact O-CG 3.29Å; V820-L824 PolarHBondContact O-N 3.43Å; H822-L824 PolarHBondContact O-N 2.52Å; L824-Q828 VanDerWaalsContact O-CG 3.28Å; L824-Q828 WeakPolarHBondContact O-CG 3.44Å; L824-Q828 PolarHBondContact O-N 3.01Å; L824-Q828 VanDerWaalsContact O-N 3.09Å; L824-Q828 PolarHBondContact O-NE2 3.22Å; L824-Q828 VanDerWaalsContact O-NE2 3.15Å; L824-L851 HydrophobicContact CD2-CD1 3.92Å; L824-L851 HydrophobicContact CG-CD1 4.25Å; L824-L862 HydrophobicContact CD1-CB 3.49Å; L824-L862 VanDerWaalsContact CD1-CB 3.49Å; L824-L862 HydrophobicContact CD1-CD1 4.37Å; L824-V863 HydrophobicContact CD1-CG2 3.87Å; L824-V863 HydrophobicContact CD2-CG2 4.14Å; L824-I868 HydrophobicContact CD2-CD1 4.08Å |
| 825 | S | 94.8 | Very high | 92.1 | Very high | 69 Ų | 69 | 42.2 Ų | 42.2 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 172.6 | -170 | 0 | 0 | 0 | 0 | 111.6 | S821 H822 I823 Q828 H829 | S821-S825 WeakPolarHBondContact O-CB 3.29Å; S821-S825 PolarHBondContact O-N 3.01Å; H822-S825 WeakPolarHBondContact O-CB 3.38Å; H822-S825 PolarHBondContact O-N 3.23Å; H822-S825 VanDerWaalsContact O-N 3.14Å; I823-S825 VanDerWaalsContact C-N 3.34Å; I823-S825 PolarHBondContact O-N 3.41Å; S825-Q828 WeakPolarHBondContact O-CB 3.26Å; S825-Q828 PolarHBondContact O-N 2.69Å; S825-H829 PolarHBondContact O-N 3.49Å |
| 826 | F | 96.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.8 | 174.1 | -120.6 | 0 | 0 | 0 | 112 | T769 R788 C791 L792 H822 I823 Q828 H829 I830 | T769-F826 HydrophobicContact CG2-CD1 3.77Å; T769-F826 HydrophobicContact CG2-CD2 3.93Å; T769-F826 HydrophobicContact CG2-CE1 3.71Å; T769-F826 HydrophobicContact CG2-CE2 3.87Å; T769-F826 HydrophobicContact CG2-CG 3.87Å; T769-F826 HydrophobicContact CG2-CZ 3.74Å; R788-F826 HydrophobicContact CB-CZ 4.03Å; R788-F826 HydrophobicContact CG-CE2 4.09Å; R788-F826 HydrophobicContact CG-CZ 3.87Å; C791-F826 HydrophobicContact CB-CE1 4.18Å; C791-F826 HydrophobicContact CB-CZ 4.37Å; L792-F826 HydrophobicContact CD2-CD1 4.05Å; L792-F826 HydrophobicContact CD2-CE1 3.81Å; L792-F826 HydrophobicContact CG-CE1 4.05Å; H822-F826 WeakPolarHBondContact O-CB 3.47Å; H822-F826 PolarHBondContact O-N 2.85Å; I823-F826 WeakPolarHBondContact O-CB 3.31Å; I823-F826 PolarHBondContact O-N 3.49Å; F826-Q828 VanDerWaalsContact C-N 3.29Å; F826-Q828 PolarHBondContact O-N 2.8Å; F826-H829 WeakPolarHBondContact O-CB 3.5Å; F826-H829 PolarHBondContact O-N 3.14Å; F826-H829 VanDerWaalsContact O-N 3.15Å; F826-I830 HydrophobicContact CD1-CD1 4.07Å; F826-I830 HydrophobicContact CD2-CD1 4.33Å; F826-I830 HydrophobicContact CD2-CG1 4.48Å; F826-I830 HydrophobicContact CE1-CD1 3.59Å; F826-I830 HydrophobicContact CE2-CD1 3.88Å; F826-I830 HydrophobicContact CE2-CG1 4.15Å; F826-I830 HydrophobicContact CG-CD1 4.43Å; F826-I830 HydrophobicContact CZ-CD1 3.5Å; F826-I830 HydrophobicContact CZ-CG1 4.26Å; F826-I830 PolarHBondContact O-N 2.88Å |
| 827 | I | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 174.9 | -66.4 | 170.4 | 0 | 0 | 0 | 111.6 | L792 I823 I830 G831 L847 I848 I868 V871 | L792-I827 HydrophobicContact CD2-CG1 3.91Å; I823-I827 HydrophobicContact CG2-CD1 4.24Å; I823-I827 WeakPolarHBondContact O-CG1 3.35Å; I823-I827 PolarHBondContact O-N 3.4Å; I827-I830 PolarHBondContact O-N 3.04Å; I827-G831 PolarHBondContact O-N 3.37Å; I827-L847 HydrophobicContact CD1-CB 4.41Å; I827-L847 HydrophobicContact CD1-CD2 4.04Å; I827-L847 HydrophobicContact CD1-CG 4.18Å; I827-I848 HydrophobicContact CD1-CG1 3.97Å; I827-I848 HydrophobicContact CG2-CD1 3.97Å; I827-I848 HydrophobicContact CG2-CG1 4.34Å; I827-I868 HydrophobicContact CB-CD1 4.13Å; I827-I868 HydrophobicContact CG2-CD1 3.75Å; I827-V871 HydrophobicContact CG2-CG1 4.36Å; I827-V871 HydrophobicContact CG2-CG2 4.32Å |
| 828 | Q | 95.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 175.2 | -74.1 | 174.4 | 86.7 | 0 | 0 | 112.2 | L824 S825 F826 G831 A832 V865 I868 | L824-Q828 VanDerWaalsContact O-CG 3.28Å; L824-Q828 WeakPolarHBondContact O-CG 3.44Å; L824-Q828 PolarHBondContact O-N 3.01Å; L824-Q828 VanDerWaalsContact O-N 3.09Å; L824-Q828 PolarHBondContact O-NE2 3.22Å; L824-Q828 VanDerWaalsContact O-NE2 3.15Å; S825-Q828 WeakPolarHBondContact O-CB 3.26Å; S825-Q828 PolarHBondContact O-N 2.69Å; F826-Q828 VanDerWaalsContact C-N 3.29Å; F826-Q828 PolarHBondContact O-N 2.8Å; Q828-G831 PolarHBondContact O-N 3.47Å; Q828-A832 PolarHBondContact O-N 3.46Å; Q828-A832 VanDerWaalsContact O-N 3.12Å; Q828-V865 HydrophobicContact CG-CG2 4.46Å; Q828-I868 HydrophobicContact CG-CD1 3.76Å; Q828-I868 HydrophobicContact CG-CG1 3.86Å |
| 829 | H | 93.6 | Very high | 92.5 | Very high | 102 Ų | 102 | 45 Ų | 45 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 175.7 | 178.3 | 69.3 | 0 | 0 | 0 | 111.2 | R788 S825 F826 G831 A832 D833 | R788-H829 PolarHBondContact NH2-NE2 3Å; R788-H829 VanDerWaalsContact NH2-NE2 3.18Å; S825-H829 PolarHBondContact O-N 3.49Å; F826-H829 WeakPolarHBondContact O-CB 3.5Å; F826-H829 PolarHBondContact O-N 3.14Å; F826-H829 VanDerWaalsContact O-N 3.15Å; H829-G831 VanDerWaalsContact C-N 3.28Å; H829-G831 PolarHBondContact O-N 2.93Å; H829-A832 PolarHBondContact O-N 3.22Å; H829-A832 VanDerWaalsContact O-N 3.15Å; H829-D833 PolarHBondContact O-N 3.06Å; H829-D833 VanDerWaalsContact O-N 3.08Å |
| 830 | I | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.4 | -45 | 172.9 | -67.9 | 171.8 | 0 | 0 | 0 | 110.8 | R788 L792 F826 I827 A832 D833 T836 L840 | R788-I830 HydrophobicContact CB-CD1 4.36Å; L792-I830 HydrophobicContact CD1-CD1 3.94Å; L792-I830 HydrophobicContact CD2-CD1 4.33Å; L792-I830 HydrophobicContact CG-CD1 4.34Å; F826-I830 HydrophobicContact CD1-CD1 4.07Å; F826-I830 HydrophobicContact CD2-CD1 4.33Å; F826-I830 HydrophobicContact CD2-CG1 4.48Å; F826-I830 HydrophobicContact CE1-CD1 3.59Å; F826-I830 HydrophobicContact CE2-CD1 3.88Å; F826-I830 HydrophobicContact CE2-CG1 4.15Å; F826-I830 HydrophobicContact CG-CD1 4.43Å; F826-I830 HydrophobicContact CZ-CD1 3.5Å; F826-I830 HydrophobicContact CZ-CG1 4.26Å; F826-I830 PolarHBondContact O-N 2.88Å; I827-I830 PolarHBondContact O-N 3.04Å; I830-A832 PolarHBondContact O-N 3.44Å; I830-D833 PolarHBondContact O-N 2.87Å; I830-T836 HydrophobicContact CG2-CG2 3.68Å; I830-T836 WeakPolarHBondContact O-CB 3.35Å; I830-T836 PolarHBondContact O-OG1 3.29Å; I830-L840 HydrophobicContact CD1-CD2 4.37Å; I830-L840 HydrophobicContact CG2-CB 4.04Å; I830-L840 HydrophobicContact CG2-CD1 4.41Å |
| 831 | G | 90.8 | Very high | 92.7 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -30.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I827 Q828 H829 R874 | I827-G831 PolarHBondContact O-N 3.37Å; Q828-G831 PolarHBondContact O-N 3.47Å; H829-G831 VanDerWaalsContact C-N 3.28Å; H829-G831 PolarHBondContact O-N 2.93Å; G831-R874 PolarHBondContact O-NH1 3.24Å |
| 832 | A | 90.9 | Very high | 92.8 | Very high | 91 Ų | 91 | 39.8 Ų | 39.8 | 75% | 0.752 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -91.4 | -17.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q828 H829 I830 | Q828-A832 PolarHBondContact O-N 3.46Å; Q828-A832 VanDerWaalsContact O-N 3.12Å; H829-A832 PolarHBondContact O-N 3.22Å; H829-A832 VanDerWaalsContact O-N 3.15Å; I830-A832 PolarHBondContact O-N 3.44Å |
| 833 | D | 88.9 | Confident | 92.9 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 14% | 0.139 | 23% | 0.231 | C | C | . | . | trans | -74.4 | 139.7 | -177.6 | -159.8 | -17.5 | 0 | 0 | 0 | 111.7 | R788 H829 I830 I835 T836 | R788-D833 IonicContact CZ-OD2 3.55Å; R788-D833 VanDerWaalsContact CZ-OD2 3.31Å; R788-D833 IonicContact NH1-OD2 3.46Å; R788-D833 PolarHBondContact NH1-OD2 3Å; R788-D833 IonicContact NH2-OD2 2.89Å; R788-D833 PolarHBondContact NH2-OD2 3.31Å; H829-D833 PolarHBondContact O-N 3.06Å; H829-D833 VanDerWaalsContact O-N 3.08Å; I830-D833 PolarHBondContact O-N 2.87Å; D833-I835 PolarHBondContact OD1-N 3.41Å; D833-T836 WeakPolarHBondContact O-CB 3.28Å; D833-T836 PolarHBondContact O-OG1 3.42Å | ||
| 834 | S | 86.4 | Confident | 92.9 | Very high | 116 Ų | 116 | 38.2 Ų | 38.2 | 81% | 0.811 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -25.5 | -177.1 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | T836 | S834-T836 PolarHBondContact O-N 3.04Š|
| 835 | I | 88.8 | Confident | 93 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2.5 | -179 | 69.1 | 176.4 | 0 | 0 | 0 | 113.6 | L775 V781 L784 N785 D833 T837 | L775-I835 HydrophobicContact CD2-CD1 3.92Å; V781-I835 HydrophobicContact CG1-CB 3.93Å; V781-I835 HydrophobicContact CG1-CD1 4.15Å; V781-I835 HydrophobicContact CG1-CG2 4.08Å; L784-I835 HydrophobicContact CD2-CD1 3.88Å; N785-I835 PolarHBondContact ND2-O 3.35Å; D833-I835 PolarHBondContact OD1-N 3.41Å; I835-T837 PolarHBondContact O-N 2.96Å |
| 836 | T | 89.7 | Confident | 93 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | trans | -71 | 120.1 | -171.2 | -67.7 | 0 | 0 | 0 | 0 | 113.2 | I830 D833 S834 L840 I841 R874 | I830-T836 HydrophobicContact CG2-CG2 3.68Å; I830-T836 WeakPolarHBondContact O-CB 3.35Å; I830-T836 PolarHBondContact O-OG1 3.29Å; D833-T836 WeakPolarHBondContact O-CB 3.28Å; D833-T836 PolarHBondContact O-OG1 3.42Å; S834-T836 PolarHBondContact O-N 3.04Å; T836-L840 HydrophobicContact CG2-CB 4.04Å; T836-L840 HydrophobicContact CG2-CD1 4.44Å; T836-I841 HydrophobicContact CG2-CD1 3.66Å; T836-I841 HydrophobicContact CG2-CG1 3.86Å; T836-R874 PolarHBondContact O-NH2 3.08Å | ||
| 837 | T | 90.7 | Very high | 93 | Very high | 54 Ų | 54 | 34.8 Ų | 34.8 | 33% | 0.331 | 21% | 0.209 | S | C | . | . | trans | -80.3 | 165.6 | 178.7 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | I835 D839 L840 I841 | I835-T837 PolarHBondContact O-N 2.96Å; T837-D839 VanDerWaalsContact C-N 3.29Å; T837-D839 PolarHBondContact O-N 3.48Å; T837-L840 PolarHBondContact O-N 3.26Å; T837-L840 PolarHBondContact OG1-N 2.92Å; T837-I841 WeakPolarHBondContact O-CG1 3.46Å; T837-I841 PolarHBondContact O-N 3.17Å | ||
| 838 | E | 89.5 | Confident | 93 | Very high | 71 Ų | 71 | 34.8 Ų | 34.8 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64 | -34.1 | 175.7 | -170.2 | 168.9 | 154.3 | 0 | 0 | 112.3 | I841 S842 A878 A880 T883 | E838-I841 WeakPolarHBondContact O-CB 3.15Å; E838-I841 PolarHBondContact O-N 2.94Å; E838-S842 WeakPolarHBondContact O-CB 3.45Å; E838-S842 PolarHBondContact O-N 3Å; E838-A878 HydrophobicContact CG-CB 4.2Å; E838-A878 WeakPolarHBondContact OE1-CB 3.5Å; E838-A880 WeakPolarHBondContact OE1-CA 3.45Å; E838-A880 WeakPolarHBondContact OE1-CB 3.37Å; E838-A880 PolarHBondContact OE1-N 2.83Å; E838-T883 HydrophobicContact CG-CG2 4.04Å; E838-T883 PolarHBondContact OE1-OG1 2.97Å |
| 839 | D | 90.8 | Very high | 92.9 | Very high | 113 Ų | 113 | 32 Ų | 32 | 60% | 0.604 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.2 | -42.2 | 176.7 | -69.3 | -34 | 0 | 0 | 0 | 112.5 | T837 I841 S842 A843 | T837-D839 VanDerWaalsContact C-N 3.29Å; T837-D839 PolarHBondContact O-N 3.48Å; D839-I841 VanDerWaalsContact C-N 3.29Å; D839-I841 PolarHBondContact O-N 3.43Å; D839-S842 WeakPolarHBondContact O-CB 3.49Å; D839-S842 PolarHBondContact O-N 3.35Å; D839-S842 VanDerWaalsContact O-N 3.12Å; D839-A843 WeakPolarHBondContact O-CB 3.16Å; D839-A843 PolarHBondContact O-N 3.07Å |
| 840 | L | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | 173.5 | -78.6 | 171.9 | 0 | 0 | 0 | 111.8 | N785 R788 T789 L792 I830 T836 T837 S844 | N785-L840 HydrophobicContact CB-CD1 4.11Å; N785-L840 WeakPolarHBondContact OD1-CD1 3.5Å; R788-L840 HydrophobicContact CB-CD2 3.6Å; T789-L840 VanDerWaalsContact OG1-CD2 3.23Å; T789-L840 WeakPolarHBondContact OG1-CD2 3.41Å; L792-L840 HydrophobicContact CD1-CD2 4Å; I830-L840 HydrophobicContact CD1-CD2 4.37Å; I830-L840 HydrophobicContact CG2-CB 4.04Å; I830-L840 HydrophobicContact CG2-CD1 4.41Å; T836-L840 HydrophobicContact CG2-CB 4.04Å; T836-L840 HydrophobicContact CG2-CD1 4.44Å; T837-L840 PolarHBondContact O-N 3.26Å; T837-L840 PolarHBondContact OG1-N 2.92Å; L840-S844 WeakPolarHBondContact O-CB 3.39Å; L840-S844 PolarHBondContact O-N 3.37Å; L840-S844 PolarHBondContact O-OG 2.69Å |
| 841 | I | 95.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 174.7 | -63.4 | -62.4 | 0 | 0 | 0 | 110.7 | T836 T837 E838 D839 S844 C845 V871 R874 T883 | T836-I841 HydrophobicContact CG2-CD1 3.66Å; T836-I841 HydrophobicContact CG2-CG1 3.86Å; T837-I841 WeakPolarHBondContact O-CG1 3.46Å; T837-I841 PolarHBondContact O-N 3.17Å; E838-I841 WeakPolarHBondContact O-CB 3.15Å; E838-I841 PolarHBondContact O-N 2.94Å; D839-I841 VanDerWaalsContact C-N 3.29Å; D839-I841 PolarHBondContact O-N 3.43Å; I841-S844 PolarHBondContact O-N 3.28Å; I841-C845 WeakPolarHBondContact O-CB 3.47Å; I841-C845 PolarHBondContact O-N 2.88Å; I841-C845 PolarHBondContact O-SG 3.25Å; I841-V871 HydrophobicContact CD1-CG1 4.26Å; I841-R874 HydrophobicContact CD1-CB 4.39Å; I841-R874 HydrophobicContact CG2-CB 4.38Å; I841-T883 HydrophobicContact CG2-CG2 4.04Å |
| 842 | S | 95.5 | Very high | 93 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61 | -53.1 | 177.7 | -167.7 | 0 | 0 | 0 | 0 | 111.6 | E838 D839 S844 C845 G846 T883 | E838-S842 WeakPolarHBondContact O-CB 3.45Å; E838-S842 PolarHBondContact O-N 3Å; D839-S842 WeakPolarHBondContact O-CB 3.49Å; D839-S842 PolarHBondContact O-N 3.35Å; D839-S842 VanDerWaalsContact O-N 3.12Å; S842-S844 PolarHBondContact O-N 2.83Å; S842-C845 PolarHBondContact O-N 3.14Å; S842-G846 PolarHBondContact O-N 3.28Å; S842-T883 WeakPolarHBondContact CB-OG1 3.45Å; S842-T883 PolarHBondContact OG-OG1 3.42Å |
| 843 | A | 95.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 17% | 0.165 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L792 D839 C845 G846 L847 | L792-A843 HydrophobicContact CB-CB 3.89Å; L792-A843 HydrophobicContact CD1-CB 3.77Å; L792-A843 HydrophobicContact CG-CB 4.5Å; D839-A843 WeakPolarHBondContact O-CB 3.16Å; D839-A843 PolarHBondContact O-N 3.07Å; A843-C845 PolarHBondContact O-N 3.37Å; A843-G846 PolarHBondContact O-N 3.01Å; A843-L847 WeakPolarHBondContact O-CB 3.32Å; A843-L847 PolarHBondContact O-N 2.7Å |
| 844 | S | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.5 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | L792 L840 I841 S842 L847 I848 | L792-S844 WeakPolarHBondContact CD1-OG 3.45Å; L840-S844 WeakPolarHBondContact O-CB 3.39Å; L840-S844 PolarHBondContact O-N 3.37Å; L840-S844 PolarHBondContact O-OG 2.69Å; I841-S844 PolarHBondContact O-N 3.28Å; S842-S844 PolarHBondContact O-N 2.83Å; S844-L847 PolarHBondContact O-N 3.13Å; S844-I848 WeakPolarHBondContact O-CD1 3.5Å; S844-I848 WeakPolarHBondContact O-CG1 3.34Å; S844-I848 PolarHBondContact O-N 2.93Å |
| 845 | C | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 177.8 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | I841 S842 A843 G849 L872 L886 A887 A890 | I841-C845 WeakPolarHBondContact O-CB 3.47Å; I841-C845 PolarHBondContact O-N 2.88Å; I841-C845 PolarHBondContact O-SG 3.25Å; S842-C845 PolarHBondContact O-N 3.14Å; A843-C845 PolarHBondContact O-N 3.37Å; C845-G849 PolarHBondContact O-N 3.45Å; C845-L872 HydrophobicContact CB-CD2 4.48Å; C845-L886 HydrophobicContact CB-CB 4.12Å; C845-A887 HydrophobicContact CB-CB 4.23Å; C845-A890 WeakPolarHBondContact O-CB 3.26Å |
| 846 | G | 95.4 | Very high | 93 | Very high | 8 Ų | 8 | 21 Ų | 21 | 8% | 0.082 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.1 | -54.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S842 A843 I848 G849 D850 W889 | S842-G846 PolarHBondContact O-N 3.28Å; A843-G846 PolarHBondContact O-N 3.01Å; G846-I848 VanDerWaalsContact C-N 3.35Å; G846-I848 PolarHBondContact O-N 3.35Å; G846-G849 PolarHBondContact O-N 3.21Å; G846-D850 PolarHBondContact O-N 3.38Å; G846-W889 WeakPolarHBondContact O-CZ3 3.49Å |
| 847 | L | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | -178.4 | -177.3 | 54.4 | 0 | 0 | 0 | 112.9 | L792 Y795 I823 I827 A843 S844 G849 D850 L851 | L792-L847 HydrophobicContact CD2-CD2 3.72Å; Y795-L847 HydrophobicContact CD2-CD2 4.4Å; Y795-L847 HydrophobicContact CG-CD2 4.46Å; I823-L847 HydrophobicContact CG2-CD2 3.65Å; I823-L847 HydrophobicContact CG2-CG 4.24Å; I827-L847 HydrophobicContact CD1-CB 4.41Å; I827-L847 HydrophobicContact CD1-CD2 4.04Å; I827-L847 HydrophobicContact CD1-CG 4.18Å; A843-L847 WeakPolarHBondContact O-CB 3.32Å; A843-L847 PolarHBondContact O-N 2.7Å; S844-L847 PolarHBondContact O-N 3.13Å; L847-G849 VanDerWaalsContact C-N 3.33Å; L847-G849 PolarHBondContact O-N 3.11Å; L847-D850 PolarHBondContact O-N 2.88Å; L847-L851 HydrophobicContact CD1-CD1 4.42Å; L847-L851 HydrophobicContact CD1-CG 4.16Å; L847-L851 HydrophobicContact CG-CD1 4.21Å; L847-L851 HydrophobicContact CG-CG 4.45Å; L847-L851 WeakPolarHBondContact O-CB 3.32Å; L847-L851 VanDerWaalsContact O-CG 3.28Å; L847-L851 WeakPolarHBondContact O-CG 3.37Å; L847-L851 PolarHBondContact O-N 2.95Å |
| 848 | I | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 173.5 | -70.4 | 159.8 | 0 | 0 | 0 | 110.4 | I827 S844 G846 D850 L851 V852 V863 I868 V871 L872 A890 I894 | I827-I848 HydrophobicContact CD1-CG1 3.97Å; I827-I848 HydrophobicContact CG2-CD1 3.97Å; I827-I848 HydrophobicContact CG2-CG1 4.34Å; S844-I848 WeakPolarHBondContact O-CD1 3.5Å; S844-I848 WeakPolarHBondContact O-CG1 3.34Å; S844-I848 PolarHBondContact O-N 2.93Å; G846-I848 VanDerWaalsContact C-N 3.35Å; G846-I848 PolarHBondContact O-N 3.35Å; I848-D850 VanDerWaalsContact C-N 3.33Å; I848-D850 PolarHBondContact O-N 3.36Å; I848-L851 PolarHBondContact O-N 3.25Å; I848-V852 HydrophobicContact CG2-CG2 4.31Å; I848-V852 WeakPolarHBondContact O-CB 3.4Å; I848-V852 WeakPolarHBondContact O-CG2 3.44Å; I848-V852 PolarHBondContact O-N 3.01Å; I848-V863 HydrophobicContact CG2-CG1 4.18Å; I848-I868 HydrophobicContact CD1-CD1 4.29Å; I848-I868 HydrophobicContact CD1-CG2 3.89Å; I848-I868 HydrophobicContact CG1-CG2 4.42Å; I848-I868 HydrophobicContact CG2-CG2 4.47Å; I848-V871 HydrophobicContact CD1-CG1 4.3Å; I848-L872 HydrophobicContact CD1-CD2 4.13Å; I848-L872 HydrophobicContact CD1-CG 4.24Å; I848-A890 HydrophobicContact CG2-CB 4.34Å; I848-I894 HydrophobicContact CG2-CD1 4.14Å |
| 849 | G | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.3 | -37.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C845 G846 L847 V852 S853 | C845-G849 PolarHBondContact O-N 3.45Å; G846-G849 PolarHBondContact O-N 3.21Å; L847-G849 VanDerWaalsContact C-N 3.33Å; L847-G849 PolarHBondContact O-N 3.11Å; G849-V852 PolarHBondContact O-N 3.45Å; G849-S853 VanDerWaalsContact O-CB 3.28Å; G849-S853 WeakPolarHBondContact O-CB 3.37Å; G849-S853 PolarHBondContact O-N 2.71Å |
| 850 | D | 93.4 | Very high | 92.5 | Very high | 18 Ų | 18 | 18.2 Ų | 18.2 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.6 | -44.3 | 175.9 | -76.5 | -42.1 | 0 | 0 | 0 | 112.6 | T796 I799 Q800 G846 L847 I848 V852 S853 A854 | T796-D850 WeakPolarHBondContact CG2-OD2 3.33Å; I799-D850 HydrophobicContact CG2-CB 4.14Å; Q800-D850 VanDerWaalsContact NE2-CG 3.34Å; Q800-D850 PolarHBondContact NE2-OD1 3.26Å; Q800-D850 PolarHBondContact NE2-OD2 2.89Å; G846-D850 PolarHBondContact O-N 3.38Å; L847-D850 PolarHBondContact O-N 2.88Å; I848-D850 VanDerWaalsContact C-N 3.33Å; I848-D850 PolarHBondContact O-N 3.36Å; D850-V852 PolarHBondContact O-N 3.48Å; D850-S853 PolarHBondContact O-N 3.26Å; D850-A854 VanDerWaalsContact O-CB 3.31Å; D850-A854 WeakPolarHBondContact O-CB 3.33Å; D850-A854 PolarHBondContact O-N 3.35Å |
| 851 | L | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 174.2 | -72.6 | 171.8 | 0 | 0 | 0 | 111.5 | I799 V820 I823 L824 L847 I848 S853 A854 Y855 I859 | I799-L851 HydrophobicContact CD1-CD2 3.88Å; I799-L851 HydrophobicContact CG1-CD2 4.01Å; V820-L851 HydrophobicContact CG1-CD2 4.39Å; V820-L851 HydrophobicContact CG2-CD2 4.15Å; I823-L851 HydrophobicContact CG2-CD1 3.95Å; L824-L851 HydrophobicContact CD2-CD1 3.92Å; L824-L851 HydrophobicContact CG-CD1 4.25Å; L847-L851 HydrophobicContact CD1-CD1 4.42Å; L847-L851 HydrophobicContact CD1-CG 4.16Å; L847-L851 HydrophobicContact CG-CD1 4.21Å; L847-L851 HydrophobicContact CG-CG 4.45Å; L847-L851 WeakPolarHBondContact O-CB 3.32Å; L847-L851 VanDerWaalsContact O-CG 3.28Å; L847-L851 WeakPolarHBondContact O-CG 3.37Å; L847-L851 PolarHBondContact O-N 2.95Å; I848-L851 PolarHBondContact O-N 3.25Å; L851-S853 VanDerWaalsContact C-N 3.3Å; L851-S853 PolarHBondContact O-N 2.95Å; L851-A854 PolarHBondContact O-N 3.11Å; L851-Y855 HydrophobicContact CD2-CD2 4.21Å; L851-Y855 HydrophobicContact CD2-CE2 3.94Å; L851-Y855 WeakPolarHBondContact O-CD2 3.37Å; L851-Y855 PolarHBondContact O-N 3.36Å; L851-I859 HydrophobicContact CB-CD1 3.94Å; L851-I859 WeakPolarHBondContact O-CD1 3.26Å |
| 852 | V | 92.4 | Very high | 92 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | I848 G849 D850 G856 I859 V863 E893 I894 L897 | I848-V852 HydrophobicContact CG2-CG2 4.31Å; I848-V852 WeakPolarHBondContact O-CB 3.4Å; I848-V852 WeakPolarHBondContact O-CG2 3.44Å; I848-V852 PolarHBondContact O-N 3.01Å; G849-V852 PolarHBondContact O-N 3.45Å; D850-V852 PolarHBondContact O-N 3.48Å; V852-G856 WeakPolarHBondContact O-CA 3.47Å; V852-G856 PolarHBondContact O-N 2.99Å; V852-I859 HydrophobicContact CG2-CD1 4.27Å; V852-V863 HydrophobicContact CG2-CG1 4.18Å; V852-V863 HydrophobicContact CG2-CG2 4.15Å; V852-E893 HydrophobicContact CB-CB 4.49Å; V852-E893 HydrophobicContact CG1-CB 3.78Å; V852-I894 HydrophobicContact CG1-CG1 4.16Å; V852-I894 HydrophobicContact CG2-CD1 4.5Å; V852-I894 HydrophobicContact CG2-CG1 3.78Å; V852-L897 HydrophobicContact CG1-CD1 3.45Å; V852-L897 VanDerWaalsContact CG1-CD1 3.45Å; V852-L897 HydrophobicContact CG1-CG 4.38Å |
| 853 | S | 89.4 | Confident | 91.7 | Very high | 48 Ų | 48 | 25.4 Ų | 25.4 | 34% | 0.336 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70.5 | -31.6 | 177.3 | -165.8 | 0 | 0 | 0 | 0 | 113.1 | K803 G849 D850 L851 | K803-S853 PolarHBondContact NZ-OG 2.94Å; G849-S853 VanDerWaalsContact O-CB 3.28Å; G849-S853 WeakPolarHBondContact O-CB 3.37Å; G849-S853 PolarHBondContact O-N 2.71Å; D850-S853 PolarHBondContact O-N 3.26Å; L851-S853 VanDerWaalsContact C-N 3.3Å; L851-S853 PolarHBondContact O-N 2.95Å |
| 854 | A | 88.5 | Confident | 91.4 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 22% | 0.215 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -80.2 | -44.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | I799 K803 D850 L851 | I799-A854 HydrophobicContact CG2-CB 3.85Å; K803-A854 HydrophobicContact CD-CB 4.33Å; D850-A854 VanDerWaalsContact O-CB 3.31Å; D850-A854 WeakPolarHBondContact O-CB 3.33Å; D850-A854 PolarHBondContact O-N 3.35Å; L851-A854 PolarHBondContact O-N 3.11Å |
| 855 | Y | 89.2 | Confident | 91.2 | Very high | 32 Ų | 32 | 31 Ų | 31 | 13% | 0.125 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -104.4 | -13.5 | -171 | -65.5 | -71.7 | 0 | 0 | 0 | 114.6 | I799 L813 V816 A817 V820 L851 S858 I859 | I799-Y855 HydrophobicContact CD1-CE2 3.96Å; L813-Y855 WeakPolarHBondContact O-CE1 3.46Å; L813-Y855 PolarHBondContact O-OH 3.28Å; V816-Y855 VanDerWaalsContact CB-OH 3.3Å; V816-Y855 WeakPolarHBondContact CB-OH 3.45Å; A817-Y855 HydrophobicContact CB-CD1 4.34Å; A817-Y855 HydrophobicContact CB-CE1 3.67Å; A817-Y855 PolarHBondContact N-OH 2.95Å; V820-Y855 HydrophobicContact CG2-CD2 3.9Å; V820-Y855 HydrophobicContact CG2-CE2 3.41Å; V820-Y855 VanDerWaalsContact CG2-CE2 3.41Å; L851-Y855 HydrophobicContact CD2-CD2 4.21Å; L851-Y855 HydrophobicContact CD2-CE2 3.94Å; L851-Y855 WeakPolarHBondContact O-CD2 3.37Å; L851-Y855 PolarHBondContact O-N 3.36Å; Y855-S858 PolarHBondContact O-N 3.05Å; Y855-S858 PolarHBondContact O-OG 3.43Å; Y855-I859 HydrophobicContact CD2-CG2 4.46Å; Y855-I859 HydrophobicContact CG-CG2 4.09Å |
| 856 | G | 87.1 | Confident | 90.8 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 19% | 0.186 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | 59.7 | -139.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V852 S858 L897 | V852-G856 WeakPolarHBondContact O-CA 3.47Å; V852-G856 PolarHBondContact O-N 2.99Å; G856-S858 PolarHBondContact O-N 3.37Å; G856-S858 VanDerWaalsContact O-N 3.1Å; G856-L897 VanDerWaalsContact C-CD1 3.5Å |
| 857 | S | 85.2 | Confident | 90.6 | Very high | 78 Ų | 78 | 38.9 Ų | 38.9 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -65 | -14.5 | -174.1 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | I859 L860 | S857-I859 VanDerWaalsContact C-N 3.28Å; S857-I859 PolarHBondContact O-N 3.1Å; S857-L860 WeakPolarHBondContact O-CB 3.41Å; S857-L860 PolarHBondContact O-N 2.93Å |
| 858 | S | 86.4 | Confident | 90.5 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 57% | 0.573 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -66.8 | -27.1 | -177.2 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | Y855 G856 | Y855-S858 PolarHBondContact O-N 3.05Å; Y855-S858 PolarHBondContact O-OG 3.43Å; G856-S858 PolarHBondContact O-N 3.37Å; G856-S858 VanDerWaalsContact O-N 3.1Å |
| 859 | I | 90.4 | Very high | 90.4 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -104.9 | 3.6 | -178.9 | 66.8 | 162.6 | 0 | 0 | 0 | 113 | V820 L851 V852 Y855 S857 S861 L862 V863 | V820-I859 HydrophobicContact CG1-CG2 3.94Å; L851-I859 HydrophobicContact CB-CD1 3.94Å; L851-I859 WeakPolarHBondContact O-CD1 3.26Å; V852-I859 HydrophobicContact CG2-CD1 4.27Å; Y855-I859 HydrophobicContact CD2-CG2 4.46Å; Y855-I859 HydrophobicContact CG-CG2 4.09Å; S857-I859 VanDerWaalsContact C-N 3.28Å; S857-I859 PolarHBondContact O-N 3.1Å; I859-S861 PolarHBondContact O-N 3.47Å; I859-L862 HydrophobicContact CB-CD1 4.42Å; I859-L862 HydrophobicContact CG2-CD1 4.46Å; I859-L862 WeakPolarHBondContact O-CA 3.48Å; I859-L862 WeakPolarHBondContact O-CB 3.26Å; I859-L862 PolarHBondContact O-N 3.13Å; I859-V863 HydrophobicContact CD1-CG2 3.87Å; I859-V863 HydrophobicContact CG1-CG2 4.18Å; I859-V863 PolarHBondContact O-N 3.47Å; I859-V863 VanDerWaalsContact O-N 3.13Å |
| 860 | L | 88.2 | Confident | 90.3 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.3 | -38.8 | -172.3 | -169.6 | 66.3 | 0 | 0 | 0 | 111.7 | S857 L862 V863 E864 I894 L897 K898 | S857-L860 WeakPolarHBondContact O-CB 3.41Å; S857-L860 PolarHBondContact O-N 2.93Å; L860-L862 VanDerWaalsContact C-N 3.25Å; L860-L862 PolarHBondContact O-N 3Å; L860-V863 PolarHBondContact O-N 2.92Å; L860-E864 HydrophobicContact CD1-CG 4.15Å; L860-E864 VanDerWaalsContact CD1-OE1 3.28Å; L860-E864 WeakPolarHBondContact CD1-OE1 3.42Å; L860-E864 WeakPolarHBondContact CD2-OE1 3.32Å; L860-E864 HydrophobicContact CG-CG 4.17Å; L860-E864 WeakPolarHBondContact CG-OE1 3.43Å; L860-E864 VanDerWaalsContact O-CB 3.31Å; L860-E864 WeakPolarHBondContact O-CB 3.44Å; L860-E864 VanDerWaalsContact O-CG 3.24Å; L860-E864 WeakPolarHBondContact O-CG 3.13Å; L860-E864 PolarHBondContact O-N 3.07Å; L860-I894 HydrophobicContact CD1-CG2 4.21Å; L860-L897 HydrophobicContact CD1-CB 4.45Å; L860-K898 HydrophobicContact CD1-CG 4.19Å; L860-K898 HydrophobicContact CD2-CG 4.23Å |
| 861 | S | 89.8 | Confident | 90.3 | Very high | 94 Ų | 94 | 42.9 Ų | 42.9 | 66% | 0.657 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.3 | -23.1 | 175.4 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | I859 | I859-S861 PolarHBondContact O-N 3.47Å |
| 862 | L | 90.3 | Very high | 90.4 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -86.2 | -27.2 | 178.3 | -57.4 | 175.5 | 0 | 0 | 0 | 112 | V820 L824 I859 L860 V865 | V820-L862 HydrophobicContact CG1-CD1 4.45Å; L824-L862 HydrophobicContact CD1-CB 3.49Å; L824-L862 VanDerWaalsContact CD1-CB 3.49Å; L824-L862 HydrophobicContact CD1-CD1 4.37Å; I859-L862 HydrophobicContact CB-CD1 4.42Å; I859-L862 HydrophobicContact CG2-CD1 4.46Å; I859-L862 WeakPolarHBondContact O-CA 3.48Å; I859-L862 WeakPolarHBondContact O-CB 3.26Å; I859-L862 PolarHBondContact O-N 3.13Å; L860-L862 VanDerWaalsContact C-N 3.25Å; L860-L862 PolarHBondContact O-N 3Å; L862-V865 WeakPolarHBondContact O-CG2 3.46Å |
| 863 | V | 90.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -91.7 | -26.7 | -179.1 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | L824 I848 V852 I859 L860 V865 I868 I894 | L824-V863 HydrophobicContact CD1-CG2 3.87Å; L824-V863 HydrophobicContact CD2-CG2 4.14Å; I848-V863 HydrophobicContact CG2-CG1 4.18Å; V852-V863 HydrophobicContact CG2-CG1 4.18Å; V852-V863 HydrophobicContact CG2-CG2 4.15Å; I859-V863 HydrophobicContact CD1-CG2 3.87Å; I859-V863 HydrophobicContact CG1-CG2 4.18Å; I859-V863 PolarHBondContact O-N 3.47Å; I859-V863 VanDerWaalsContact O-N 3.13Å; L860-V863 PolarHBondContact O-N 2.92Å; V863-V865 PolarHBondContact O-N 2.7Å; V863-I868 HydrophobicContact CG1-CG2 3.91Å; V863-I894 HydrophobicContact CG1-CD1 3.48Å; V863-I894 VanDerWaalsContact CG1-CD1 3.48Å; V863-I894 HydrophobicContact CG1-CG1 3.92Å |
| 864 | E | 88.2 | Confident | 90.5 | Very high | 93 Ų | 93 | 49 Ų | 49 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -79.8 | 52 | 175.5 | -69.2 | -172 | -170.4 | 0 | 0 | 113.1 | L860 K898 | L860-E864 HydrophobicContact CD1-CG 4.15Å; L860-E864 VanDerWaalsContact CD1-OE1 3.28Å; L860-E864 WeakPolarHBondContact CD1-OE1 3.42Å; L860-E864 WeakPolarHBondContact CD2-OE1 3.32Å; L860-E864 HydrophobicContact CG-CG 4.17Å; L860-E864 WeakPolarHBondContact CG-OE1 3.43Å; L860-E864 VanDerWaalsContact O-CB 3.31Å; L860-E864 WeakPolarHBondContact O-CB 3.44Å; L860-E864 VanDerWaalsContact O-CG 3.24Å; L860-E864 WeakPolarHBondContact O-CG 3.13Å; L860-E864 PolarHBondContact O-N 3.07Å; E864-K898 VanDerWaalsContact CD-CE 3.45Å; E864-K898 WeakPolarHBondContact OE1-CD 3.34Å; E864-K898 WeakPolarHBondContact OE1-CE 3.4Å; E864-K898 VanDerWaalsContact OE1-CG 3.27Å; E864-K898 WeakPolarHBondContact OE1-CG 3.39Å; E864-K898 IonicContact OE1-NZ 3.77Å; E864-K898 PolarHBondContact OE1-NZ 2.94Å; E864-K898 IonicContact OE2-NZ 3.35Å; E864-K898 PolarHBondContact OE2-NZ 3.07Å |
| 865 | V | 92.4 | Very high | 90.7 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 28% | 0.279 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -121.4 | 151.9 | 176.2 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | Q828 L862 V863 G867 I868 A869 | Q828-V865 HydrophobicContact CG-CG2 4.46Å; L862-V865 WeakPolarHBondContact O-CG2 3.46Å; V863-V865 PolarHBondContact O-N 2.7Å; V865-G867 VanDerWaalsContact C-N 3.28Å; V865-G867 PolarHBondContact O-N 2.8Å; V865-I868 HydrophobicContact CG2-CB 4.06Å; V865-I868 HydrophobicContact CG2-CG1 3.62Å; V865-I868 PolarHBondContact O-N 2.76Å; V865-A869 PolarHBondContact O-N 3.04Å |
| 866 | D | 90.1 | Very high | 90.8 | Very high | 148 Ų | 148 | 50.3 Ų | 50.3 | 79% | 0.791 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.2 | -36.5 | -172.6 | -69.5 | -31.4 | 0 | 0 | 0 | 112.9 | I868 A869 S870 | D866-I868 PolarHBondContact O-N 2.91Å; D866-A869 PolarHBondContact O-N 3.28Å; D866-S870 WeakPolarHBondContact O-CB 3.24Å; D866-S870 PolarHBondContact O-N 2.93Å |
| 867 | G | 91.4 | Very high | 91 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V865 S870 V871 | V865-G867 VanDerWaalsContact C-N 3.28Å; V865-G867 PolarHBondContact O-N 2.8Å; G867-S870 WeakPolarHBondContact O-CB 3.37Å; G867-S870 PolarHBondContact O-N 2.79Å; G867-V871 PolarHBondContact O-N 2.99Å; G867-V871 VanDerWaalsContact O-N 3.17Å |
| 868 | I | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 177 | -62.7 | -63.3 | 0 | 0 | 0 | 111.1 | L824 I827 Q828 I848 V863 V865 D866 S870 V871 L872 | L824-I868 HydrophobicContact CD2-CD1 4.08Å; I827-I868 HydrophobicContact CB-CD1 4.13Å; I827-I868 HydrophobicContact CG2-CD1 3.75Å; Q828-I868 HydrophobicContact CG-CD1 3.76Å; Q828-I868 HydrophobicContact CG-CG1 3.86Å; I848-I868 HydrophobicContact CD1-CD1 4.29Å; I848-I868 HydrophobicContact CD1-CG2 3.89Å; I848-I868 HydrophobicContact CG1-CG2 4.42Å; I848-I868 HydrophobicContact CG2-CG2 4.47Å; V863-I868 HydrophobicContact CG1-CG2 3.91Å; V865-I868 HydrophobicContact CG2-CB 4.06Å; V865-I868 HydrophobicContact CG2-CG1 3.62Å; V865-I868 PolarHBondContact O-N 2.76Å; D866-I868 PolarHBondContact O-N 2.91Å; I868-S870 VanDerWaalsContact C-N 3.26Å; I868-S870 PolarHBondContact O-N 3.5Å; I868-V871 PolarHBondContact O-N 3.22Å; I868-L872 HydrophobicContact CG2-CD1 4.21Å; I868-L872 PolarHBondContact O-N 3.29Å; I868-L872 VanDerWaalsContact O-N 3.07Å |
| 869 | A | 93.1 | Very high | 91 | Very high | 49 Ų | 49 | 59 Ų | 59 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | V865 D866 Q873 | V865-A869 PolarHBondContact O-N 3.04Å; D866-A869 PolarHBondContact O-N 3.28Å; A869-Q873 WeakPolarHBondContact O-CB 3.34Å; A869-Q873 PolarHBondContact O-N 2.99Å |
| 870 | S | 92.6 | Very high | 90.9 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | D866 G867 I868 L872 Q873 R874 | D866-S870 WeakPolarHBondContact O-CB 3.24Å; D866-S870 PolarHBondContact O-N 2.93Å; G867-S870 WeakPolarHBondContact O-CB 3.37Å; G867-S870 PolarHBondContact O-N 2.79Å; I868-S870 VanDerWaalsContact C-N 3.26Å; I868-S870 PolarHBondContact O-N 3.5Å; S870-L872 PolarHBondContact O-N 2.66Å; S870-Q873 WeakPolarHBondContact O-CB 3.09Å; S870-Q873 PolarHBondContact O-N 3.31Å; S870-Q873 VanDerWaalsContact O-N 3.1Å; S870-R874 PolarHBondContact O-N 3.31Å |
| 871 | V | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.3 | -50.3 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | I827 I841 I848 G867 I868 Q873 R874 G875 | I827-V871 HydrophobicContact CG2-CG1 4.36Å; I827-V871 HydrophobicContact CG2-CG2 4.32Å; I841-V871 HydrophobicContact CD1-CG1 4.26Å; I848-V871 HydrophobicContact CD1-CG1 4.3Å; G867-V871 PolarHBondContact O-N 2.99Å; G867-V871 VanDerWaalsContact O-N 3.17Å; I868-V871 PolarHBondContact O-N 3.22Å; V871-Q873 PolarHBondContact O-N 3.4Å; V871-R874 PolarHBondContact O-N 2.97Å; V871-G875 PolarHBondContact O-N 2.93Å |
| 872 | L | 94.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.4 | -31.6 | 178 | -68.9 | 173.1 | 0 | 0 | 0 | 112.3 | C845 I848 I868 S870 R876 A890 I894 | C845-L872 HydrophobicContact CB-CD2 4.48Å; I848-L872 HydrophobicContact CD1-CD2 4.13Å; I848-L872 HydrophobicContact CD1-CG 4.24Å; I868-L872 HydrophobicContact CG2-CD1 4.21Å; I868-L872 PolarHBondContact O-N 3.29Å; I868-L872 VanDerWaalsContact O-N 3.07Å; S870-L872 PolarHBondContact O-N 2.66Å; L872-R876 WeakPolarHBondContact O-CG 3.38Å; L872-R876 PolarHBondContact O-N 3.48Å; L872-R876 VanDerWaalsContact O-N 3.08Å; L872-A890 HydrophobicContact CD2-CB 3.77Å; L872-I894 HydrophobicContact CD1-CD1 3.62Å |
| 873 | Q | 92.7 | Very high | 91 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.2 | -42.8 | 175.2 | 179.4 | 172.1 | -20.1 | 0 | 0 | 112.2 | A869 S870 V871 R876 R877 | A869-Q873 WeakPolarHBondContact O-CB 3.34Å; A869-Q873 PolarHBondContact O-N 2.99Å; S870-Q873 WeakPolarHBondContact O-CB 3.09Å; S870-Q873 PolarHBondContact O-N 3.31Å; S870-Q873 VanDerWaalsContact O-N 3.1Å; V871-Q873 PolarHBondContact O-N 3.4Å; Q873-R876 PolarHBondContact O-N 2.97Å; Q873-R877 VanDerWaalsContact NE2-NH2 3.18Å; Q873-R877 WeakPolarHBondContact O-CG 3.41Å; Q873-R877 PolarHBondContact O-N 3.48Å |
| 874 | R | 91.5 | Very high | 91.1 | Very high | 91 Ų | 91 | 69.5 Ų | 69.5 | 34% | 0.343 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 171.7 | -71.7 | 176.7 | 66.5 | 178 | -0.4 | 110.1 | G831 T836 I841 S870 V871 R876 R877 A878 | G831-R874 PolarHBondContact O-NH1 3.24Å; T836-R874 PolarHBondContact O-NH2 3.08Å; I841-R874 HydrophobicContact CD1-CB 4.39Å; I841-R874 HydrophobicContact CG2-CB 4.38Å; S870-R874 PolarHBondContact O-N 3.31Å; V871-R874 PolarHBondContact O-N 2.97Å; R874-R876 VanDerWaalsContact C-N 3.35Å; R874-R876 PolarHBondContact O-N 3.3Å; R874-R877 CarbonylContact O-C 3.45Å; R874-R877 PolarHBondContact O-N 2.89Å; R874-A878 PolarHBondContact O-N 3.27Å; R874-A878 VanDerWaalsContact O-N 3.1Å |
| 875 | G | 91.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V871 R877 A878 K884 A887 | V871-G875 PolarHBondContact O-N 2.93Å; G875-R877 PolarHBondContact O-N 3.45Å; G875-A878 WeakPolarHBondContact O-CB 3.35Å; G875-A878 PolarHBondContact O-N 2.81Å; G875-K884 WeakPolarHBondContact O-CA 3.49Å; G875-A887 VanDerWaalsContact C-CB 3.4Å |
| 876 | R | 92.7 | Very high | 91.5 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69 | -20.4 | 175.9 | -73.1 | -175.9 | -56.6 | -110 | -2.9 | 114 | L872 Q873 R874 A887 V888 T891 | L872-R876 WeakPolarHBondContact O-CG 3.38Å; L872-R876 PolarHBondContact O-N 3.48Å; L872-R876 VanDerWaalsContact O-N 3.08Å; Q873-R876 PolarHBondContact O-N 2.97Å; R874-R876 VanDerWaalsContact C-N 3.35Å; R874-R876 PolarHBondContact O-N 3.3Å; R876-A887 HydrophobicContact CG-CB 3.84Å; R876-V888 HydrophobicContact CG-CG2 4.1Å; R876-T891 VanDerWaalsContact NH1-CG2 3.3Å; R876-T891 PolarHBondContact NH1-OG1 3.47Å |
| 877 | R | 90.6 | Very high | 91.7 | Very high | 190 Ų | 190 | 62.7 Ų | 62.7 | 72% | 0.717 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -96 | -5.9 | 177.2 | -69 | 179.1 | 176.7 | -176.9 | -2.5 | 112.9 | Q873 R874 G875 | Q873-R877 VanDerWaalsContact NE2-NH2 3.18Å; Q873-R877 WeakPolarHBondContact O-CG 3.41Å; Q873-R877 PolarHBondContact O-N 3.48Å; R874-R877 CarbonylContact O-C 3.45Å; R874-R877 PolarHBondContact O-N 2.89Å; G875-R877 PolarHBondContact O-N 3.45Å |
| 878 | A | 88 | Confident | 91.9 | Very high | 17 Ų | 17 | 65 Ų | 65 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | trans | -62 | 149.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | E838 R874 G875 T883 | E838-A878 HydrophobicContact CG-CB 4.2Å; E838-A878 WeakPolarHBondContact OE1-CB 3.5Å; R874-A878 PolarHBondContact O-N 3.27Å; R874-A878 VanDerWaalsContact O-N 3.1Å; G875-A878 WeakPolarHBondContact O-CB 3.35Å; G875-A878 PolarHBondContact O-N 2.81Å; A878-T883 HydrophobicContact CB-CG2 3.44Å; A878-T883 VanDerWaalsContact CB-CG2 3.44Å | ||
| 879 | K | 84.2 | Confident | 92 | Very high | 152 Ų | 152 | 69 Ų | 69 | 66% | 0.661 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -76.1 | -40.5 | -179.5 | -71.1 | 177.7 | 176.7 | 170.1 | 0 | 110.9 | E306 S881 | E306-K879 IonicContact OE1-NZ 2.71Å; E306-K879 PolarHBondContact OE1-NZ 2.92Å; E306-K879 WeakPolarHBondContact OE2-CE 3.29Å; E306-K879 IonicContact OE2-NZ 2.75Å; E306-K879 PolarHBondContact OE2-NZ 2.8Å; K879-S881 PolarHBondContact O-N 2.95Å |
| 880 | A | 86.9 | Confident | 92.1 | Very high | 45 Ų | 45 | 66.7 Ų | 66.7 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -68.6 | 129.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E838 R882 T883 K884 | E838-A880 WeakPolarHBondContact OE1-CA 3.45Å; E838-A880 WeakPolarHBondContact OE1-CB 3.37Å; E838-A880 PolarHBondContact OE1-N 2.83Å; A880-R882 PolarHBondContact O-N 2.95Å; A880-T883 PolarHBondContact O-N 3.22Å; A880-K884 PolarHBondContact O-N 2.73Å |
| 881 | S | 88.6 | Confident | 92.1 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.2 | -34.2 | -179.1 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | K879 N885 | K879-S881 PolarHBondContact O-N 2.95Å; S881-N885 VanDerWaalsContact O-CB 3.27Å; S881-N885 WeakPolarHBondContact O-CB 3.3Å; S881-N885 PolarHBondContact O-N 3.17Å; S881-N885 PolarHBondContact O-ND2 3.43Å; S881-N885 VanDerWaalsContact O-ND2 3.13Å; S881-N885 PolarHBondContact OG-ND2 3.47Å |
| 882 | R | 90.3 | Very high | 92 | Very high | 187 Ų | 187 | 70.8 Ų | 70.8 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.6 | -53.2 | 179 | -176.9 | 178.9 | 178 | -173.8 | -1.6 | 111.3 | A880 K884 N885 L886 | A880-R882 PolarHBondContact O-N 2.95Å; R882-K884 VanDerWaalsContact C-N 3.32Å; R882-K884 PolarHBondContact O-N 2.68Å; R882-N885 PolarHBondContact O-N 3.16Å; R882-L886 HydrophobicContact CG-CD1 4.19Å; R882-L886 WeakPolarHBondContact O-CG 3.27Å; R882-L886 PolarHBondContact O-N 3.41Å |
| 883 | T | 91.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.2 | -47.2 | 179.1 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | E838 I841 S842 A878 A880 N885 L886 A887 | E838-T883 HydrophobicContact CG-CG2 4.04Å; E838-T883 PolarHBondContact OE1-OG1 2.97Å; I841-T883 HydrophobicContact CG2-CG2 4.04Å; S842-T883 WeakPolarHBondContact CB-OG1 3.45Å; S842-T883 PolarHBondContact OG-OG1 3.42Å; A878-T883 HydrophobicContact CB-CG2 3.44Å; A878-T883 VanDerWaalsContact CB-CG2 3.44Å; A880-T883 PolarHBondContact O-N 3.22Å; T883-N885 PolarHBondContact O-N 3.25Å; T883-L886 PolarHBondContact O-N 3.11Å; T883-A887 WeakPolarHBondContact O-CB 3.47Å; T883-A887 PolarHBondContact O-N 2.64Å |
| 884 | K | 93.3 | Very high | 91.8 | Very high | 106 Ų | 106 | 68.5 Ų | 68.5 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.4 | -172.9 | 176.9 | -177.2 | 177.6 | 0 | 112.4 | G875 A880 R882 A887 V888 | G875-K884 WeakPolarHBondContact O-CA 3.49Å; A880-K884 PolarHBondContact O-N 2.73Å; R882-K884 VanDerWaalsContact C-N 3.32Å; R882-K884 PolarHBondContact O-N 2.68Å; K884-A887 PolarHBondContact O-N 3.37Å; K884-V888 WeakPolarHBondContact O-CB 3.38Å; K884-V888 VanDerWaalsContact O-CG2 3.25Å; K884-V888 WeakPolarHBondContact O-CG2 3.15Å; K884-V888 PolarHBondContact O-N 2.98Å |
| 885 | N | 94.1 | Very high | 91.7 | Very high | 97 Ų | 97 | 71.9 Ų | 71.9 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 179.9 | -73 | -19.3 | 0 | 0 | 0 | 111.7 | S881 R882 T883 V888 W889 | S881-N885 VanDerWaalsContact O-CB 3.27Å; S881-N885 WeakPolarHBondContact O-CB 3.3Å; S881-N885 PolarHBondContact O-N 3.17Å; S881-N885 PolarHBondContact O-ND2 3.43Å; S881-N885 VanDerWaalsContact O-ND2 3.13Å; S881-N885 PolarHBondContact OG-ND2 3.47Å; R882-N885 PolarHBondContact O-N 3.16Å; T883-N885 PolarHBondContact O-N 3.25Å; N885-V888 PolarHBondContact O-N 3.38Å; N885-W889 WeakPolarHBondContact O-CB 3.48Å; N885-W889 PolarHBondContact O-N 3.49Å |
| 886 | L | 94.6 | Very high | 91.5 | Very high | 46 Ų | 46 | 76.5 Ų | 76.5 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.1 | -71.4 | 174.4 | 0 | 0 | 0 | 111.8 | C845 R882 T883 V888 W889 A890 | C845-L886 HydrophobicContact CB-CB 4.12Å; R882-L886 HydrophobicContact CG-CD1 4.19Å; R882-L886 WeakPolarHBondContact O-CG 3.27Å; R882-L886 PolarHBondContact O-N 3.41Å; T883-L886 PolarHBondContact O-N 3.11Å; L886-V888 PolarHBondContact O-N 3.19Å; L886-W889 HydrophobicContact CD2-CE3 4.47Å; L886-W889 PolarHBondContact O-N 3.24Å; L886-A890 WeakPolarHBondContact O-CB 3.45Å; L886-A890 PolarHBondContact O-N 3.32Å |
| 887 | A | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | C845 G875 R876 T883 K884 T891 | C845-A887 HydrophobicContact CB-CB 4.23Å; G875-A887 VanDerWaalsContact C-CB 3.4Å; R876-A887 HydrophobicContact CG-CB 3.84Å; T883-A887 WeakPolarHBondContact O-CB 3.47Å; T883-A887 PolarHBondContact O-N 2.64Å; K884-A887 PolarHBondContact O-N 3.37Å; A887-T891 PolarHBondContact O-N 2.92Å; A887-T891 WeakPolarHBondContact O-CB 3.49Å; A887-T891 PolarHBondContact O-OG1 3.48Å |
| 888 | V | 95.1 | Very high | 90.8 | Very high | 74 Ų | 74 | 68.7 Ų | 68.7 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 111 | R876 K884 N885 L886 T891 K892 | R876-V888 HydrophobicContact CG-CG2 4.1Å; K884-V888 WeakPolarHBondContact O-CB 3.38Å; K884-V888 VanDerWaalsContact O-CG2 3.25Å; K884-V888 WeakPolarHBondContact O-CG2 3.15Å; K884-V888 PolarHBondContact O-N 2.98Å; N885-V888 PolarHBondContact O-N 3.38Å; L886-V888 PolarHBondContact O-N 3.19Å; V888-T891 PolarHBondContact O-N 3.2Å; V888-K892 PolarHBondContact O-N 3.28Å; V888-K892 WeakPolarHBondContact O-CB 3.47Å |
| 889 | W | 95.8 | Very high | 90.4 | Very high | 84 Ų | 84 | 73 Ų | 73 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -52.8 | 177.5 | 168.5 | 75.2 | 0 | 0 | 0 | 111.9 | G846 N885 L886 T891 K892 E893 | G846-W889 WeakPolarHBondContact O-CZ3 3.49Å; N885-W889 WeakPolarHBondContact O-CB 3.48Å; N885-W889 PolarHBondContact O-N 3.49Å; L886-W889 HydrophobicContact CD2-CE3 4.47Å; L886-W889 PolarHBondContact O-N 3.24Å; W889-T891 VanDerWaalsContact C-N 3.29Å; W889-T891 PolarHBondContact O-N 2.93Å; W889-K892 WeakPolarHBondContact O-CA 3.46Å; W889-K892 VanDerWaalsContact O-CB 3.31Å; W889-K892 WeakPolarHBondContact O-CB 3.36Å; W889-K892 PolarHBondContact O-N 3.45Å; W889-E893 HydrophobicContact CZ2-CG 4.32Å; W889-E893 PolarHBondContact O-N 3.41Å |
| 890 | A | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C845 I848 L872 L886 K892 E893 I894 | C845-A890 WeakPolarHBondContact O-CB 3.26Å; I848-A890 HydrophobicContact CG2-CB 4.34Å; L872-A890 HydrophobicContact CD2-CB 3.77Å; L886-A890 WeakPolarHBondContact O-CB 3.45Å; L886-A890 PolarHBondContact O-N 3.32Å; A890-K892 VanDerWaalsContact C-N 3.3Å; A890-K892 PolarHBondContact O-N 2.87Å; A890-E893 PolarHBondContact O-N 3.16Å; A890-I894 WeakPolarHBondContact O-CG1 3.28Å; A890-I894 PolarHBondContact O-N 3.03Å; A890-I894 VanDerWaalsContact O-N 3.09Å |
| 891 | T | 93.7 | Very high | 89 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 8% | 0.08 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 112 | R876 A887 V888 W889 R895 | R876-T891 VanDerWaalsContact NH1-CG2 3.3Å; R876-T891 PolarHBondContact NH1-OG1 3.47Å; A887-T891 PolarHBondContact O-N 2.92Å; A887-T891 WeakPolarHBondContact O-CB 3.49Å; A887-T891 PolarHBondContact O-OG1 3.48Å; V888-T891 PolarHBondContact O-N 3.2Å; W889-T891 VanDerWaalsContact C-N 3.29Å; W889-T891 PolarHBondContact O-N 2.93Å; T891-R895 WeakPolarHBondContact O-CG 3.28Å; T891-R895 PolarHBondContact O-N 3.47Å; T891-R895 VanDerWaalsContact O-N 3.1Å |
| 892 | K | 92.5 | Very high | 87.8 | Confident | 125 Ų | 125 | 71.9 Ų | 71.9 | 54% | 0.543 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 178.7 | -173.1 | -177.2 | -179.7 | -179.3 | 0 | 111 | V888 W889 A890 R895 K896 | V888-K892 PolarHBondContact O-N 3.28Å; V888-K892 WeakPolarHBondContact O-CB 3.47Å; W889-K892 WeakPolarHBondContact O-CA 3.46Å; W889-K892 VanDerWaalsContact O-CB 3.31Å; W889-K892 WeakPolarHBondContact O-CB 3.36Å; W889-K892 PolarHBondContact O-N 3.45Å; A890-K892 VanDerWaalsContact C-N 3.3Å; A890-K892 PolarHBondContact O-N 2.87Å; K892-R895 PolarHBondContact O-N 3.42Å; K892-K896 WeakPolarHBondContact O-CG 3.49Å; K892-K896 PolarHBondContact O-N 3.32Å |
| 893 | E | 91 | Very high | 86.3 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.4 | -67.3 | -51.3 | 118 | 0 | 0 | 111.8 | V852 W889 A890 R895 K896 L897 | V852-E893 HydrophobicContact CB-CB 4.49Å; V852-E893 HydrophobicContact CG1-CB 3.78Å; W889-E893 HydrophobicContact CZ2-CG 4.32Å; W889-E893 PolarHBondContact O-N 3.41Å; A890-E893 PolarHBondContact O-N 3.16Å; E893-R895 VanDerWaalsContact C-N 3.34Å; E893-R895 PolarHBondContact O-N 3.1Å; E893-K896 PolarHBondContact O-N 3.1Å; E893-K896 WeakPolarHBondContact OE1-CE 3.44Å; E893-K896 IonicContact OE1-NZ 2.74Å; E893-K896 PolarHBondContact OE1-NZ 2.88Å; E893-K896 IonicContact OE2-NZ 2.99Å; E893-L897 PolarHBondContact O-N 3.3Å |
| 894 | I | 91.3 | Very high | 84.6 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 8% | 0.082 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 175.4 | -64.1 | 163.5 | 0 | 0 | 0 | 111 | I848 V852 L860 V863 L872 A890 K896 L897 K898 | I848-I894 HydrophobicContact CG2-CD1 4.14Å; V852-I894 HydrophobicContact CG1-CG1 4.16Å; V852-I894 HydrophobicContact CG2-CD1 4.5Å; V852-I894 HydrophobicContact CG2-CG1 3.78Å; L860-I894 HydrophobicContact CD1-CG2 4.21Å; V863-I894 HydrophobicContact CG1-CD1 3.48Å; V863-I894 VanDerWaalsContact CG1-CD1 3.48Å; V863-I894 HydrophobicContact CG1-CG1 3.92Å; L872-I894 HydrophobicContact CD1-CD1 3.62Å; A890-I894 WeakPolarHBondContact O-CG1 3.28Å; A890-I894 PolarHBondContact O-N 3.03Å; A890-I894 VanDerWaalsContact O-N 3.09Å; I894-K896 PolarHBondContact O-N 3.15Å; I894-L897 PolarHBondContact O-N 3.42Å; I894-K898 PolarHBondContact O-N 2.68Å; I894-K898 VanDerWaalsContact O-N 3.11Å |
| 895 | R | 89.3 | Confident | 82.5 | Confident | 161 Ų | 161 | 68.1 Ų | 68.1 | 61% | 0.608 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.1 | -39 | 179.2 | -75.6 | 177.3 | -178.6 | 179.1 | 1.3 | 112.9 | T891 K892 E893 L897 K898 N899 | T891-R895 WeakPolarHBondContact O-CG 3.28Å; T891-R895 PolarHBondContact O-N 3.47Å; T891-R895 VanDerWaalsContact O-N 3.1Å; K892-R895 PolarHBondContact O-N 3.42Å; E893-R895 VanDerWaalsContact C-N 3.34Å; E893-R895 PolarHBondContact O-N 3.1Å; R895-L897 VanDerWaalsContact C-N 3.31Å; R895-L897 PolarHBondContact O-N 3.03Å; R895-K898 PolarHBondContact O-N 3.23Å; R895-N899 PolarHBondContact O-N 3.34Å |
| 896 | K | 87.2 | Confident | 80.2 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 43% | 0.426 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 175.6 | -75.7 | 173.4 | 179.9 | 174.3 | 0 | 110.6 | K892 E893 I894 N899 T900 | K892-K896 WeakPolarHBondContact O-CG 3.49Å; K892-K896 PolarHBondContact O-N 3.32Å; E893-K896 PolarHBondContact O-N 3.1Å; E893-K896 WeakPolarHBondContact OE1-CE 3.44Å; E893-K896 IonicContact OE1-NZ 2.74Å; E893-K896 PolarHBondContact OE1-NZ 2.88Å; E893-K896 IonicContact OE2-NZ 2.99Å; I894-K896 PolarHBondContact O-N 3.15Å; K896-N899 PolarHBondContact O-N 2.97Å; K896-T900 PolarHBondContact O-N 2.87Å; K896-T900 PolarHBondContact O-OG1 2.97Å; K896-T900 VanDerWaalsContact O-OG1 3.07Å |
| 897 | L | 84.6 | Confident | 77.8 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 179.5 | -66.6 | 177.7 | 0 | 0 | 0 | 112.7 | V852 G856 L860 E893 I894 R895 N899 T900 T901 | V852-L897 HydrophobicContact CG1-CD1 3.45Å; V852-L897 VanDerWaalsContact CG1-CD1 3.45Å; V852-L897 HydrophobicContact CG1-CG 4.38Å; G856-L897 VanDerWaalsContact C-CD1 3.5Å; L860-L897 HydrophobicContact CD1-CB 4.45Å; E893-L897 PolarHBondContact O-N 3.3Å; I894-L897 PolarHBondContact O-N 3.42Å; R895-L897 VanDerWaalsContact C-N 3.31Å; R895-L897 PolarHBondContact O-N 3.03Å; L897-N899 VanDerWaalsContact C-N 3.26Å; L897-N899 PolarHBondContact O-N 3.47Å; L897-T900 PolarHBondContact O-N 3.27Å; L897-T900 VanDerWaalsContact O-N 3.11Å; L897-T901 PolarHBondContact O-N 2.98Å; L897-T901 PolarHBondContact O-OG1 3.04Å |
| 898 | K | 83.9 | Confident | 75.5 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -53.6 | -43.6 | 176.2 | -71.9 | -174.8 | -171.9 | -112.5 | 0 | 112.2 | L860 E864 I894 R895 T901 N902 | L860-K898 HydrophobicContact CD1-CG 4.19Å; L860-K898 HydrophobicContact CD2-CG 4.23Å; E864-K898 VanDerWaalsContact CD-CE 3.45Å; E864-K898 WeakPolarHBondContact OE1-CD 3.34Å; E864-K898 WeakPolarHBondContact OE1-CE 3.4Å; E864-K898 VanDerWaalsContact OE1-CG 3.27Å; E864-K898 WeakPolarHBondContact OE1-CG 3.39Å; E864-K898 IonicContact OE1-NZ 3.77Å; E864-K898 PolarHBondContact OE1-NZ 2.94Å; E864-K898 IonicContact OE2-NZ 3.35Å; E864-K898 PolarHBondContact OE2-NZ 3.07Å; I894-K898 PolarHBondContact O-N 2.68Å; I894-K898 VanDerWaalsContact O-N 3.11Å; R895-K898 PolarHBondContact O-N 3.23Å; K898-T901 PolarHBondContact O-N 2.93Å; K898-N902 WeakPolarHBondContact O-CB 3.46Å; K898-N902 PolarHBondContact O-N 3.22Å; K898-N902 VanDerWaalsContact O-N 3.08Å; K898-N902 PolarHBondContact O-ND2 3.37Å |
| 899 | N | 79.8 | Confident | 73.1 | Confident | 107 Ų | 107 | 74 Ų | 74 | 57% | 0.572 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.2 | -38.3 | -179.6 | -71.3 | -13.3 | 0 | 0 | 0 | 112.1 | R895 K896 L897 S903 | R895-N899 PolarHBondContact O-N 3.34Å; K896-N899 PolarHBondContact O-N 2.97Å; L897-N899 VanDerWaalsContact C-N 3.26Å; L897-N899 PolarHBondContact O-N 3.47Å; N899-S903 PolarHBondContact O-N 3.37Å; N899-S903 PolarHBondContact O-OG 2.96Å; N899-S903 VanDerWaalsContact O-N 3.12Å; N899-S903 WeakPolarHBondContact O-CB 3.37Å |
| 900 | T | 75.8 | Confident | 70.6 | Confident | 89 Ų | 89 | 77.1 Ų | 77.1 | 55% | 0.546 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 176 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | K896 L897 N902 S903 T904 | K896-T900 PolarHBondContact O-N 2.87Å; K896-T900 PolarHBondContact O-OG1 2.97Å; K896-T900 VanDerWaalsContact O-OG1 3.07Å; L897-T900 PolarHBondContact O-N 3.27Å; L897-T900 VanDerWaalsContact O-N 3.11Å; T900-N902 PolarHBondContact O-N 3.16Å; T900-S903 PolarHBondContact O-N 2.99Å; T900-T904 PolarHBondContact O-N 3.35Å; T900-T904 VanDerWaalsContact O-N 3.09Å; T900-T904 PolarHBondContact O-OG1 3.3Å; T900-T904 VanDerWaalsContact O-OG1 3.1Å |
| 901 | T | 66.7 | Low | 67.9 | Low | 54 Ų | 54 | 81.6 Ų | 81.6 | 33% | 0.331 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | -179.3 | -44.1 | 0 | 0 | 0 | 0 | 112.2 | L897 K898 T904 A905 | L897-T901 PolarHBondContact O-N 2.98Å; L897-T901 PolarHBondContact O-OG1 3.04Å; K898-T901 PolarHBondContact O-N 2.93Å; T901-T904 PolarHBondContact O-OG1 3.38Å; T901-T904 WeakPolarHBondContact CA-OG1 3.24Å; T901-T904 PolarHBondContact O-N 3.42Å; T901-A905 PolarHBondContact O-N 3.38Å |
| 902 | N | 63.3 | Low | 65.2 | Low | 111 Ų | 111 | 85.7 Ų | 85.7 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.1 | -36 | 176.9 | -74.3 | -15.6 | 0 | 0 | 0 | 112.5 | K898 T900 A905 S906 | K898-N902 WeakPolarHBondContact O-CB 3.46Å; K898-N902 PolarHBondContact O-N 3.22Å; K898-N902 VanDerWaalsContact O-N 3.08Å; K898-N902 PolarHBondContact O-ND2 3.37Å; T900-N902 PolarHBondContact O-N 3.16Å; N902-A905 PolarHBondContact O-N 3.05Å; N902-S906 PolarHBondContact O-N 2.83Å; N902-S906 VanDerWaalsContact O-N 3.17Å; N902-S906 PolarHBondContact O-OG 2.93Å |
| 903 | S | 58.3 | Low | 62.7 | Low | 75 Ų | 75 | 87.7 Ų | 87.7 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | N899 T900 S906 S907 | N899-S903 PolarHBondContact O-N 3.37Å; N899-S903 PolarHBondContact O-OG 2.96Å; N899-S903 VanDerWaalsContact O-N 3.12Å; N899-S903 WeakPolarHBondContact O-CB 3.37Å; T900-S903 PolarHBondContact O-N 2.99Å; S903-S906 PolarHBondContact O-N 3.26Å; S903-S906 PolarHBondContact O-OG 2.97Å; S903-S907 PolarHBondContact O-N 3.35Å |
| 904 | T | 55.9 | Low | 60.1 | Low | 79 Ų | 79 | 91.6 Ų | 91.6 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 176 | 40.8 | 0 | 0 | 0 | 0 | 113.5 | T900 T901 S906 S907 V908 | T900-T904 PolarHBondContact O-N 3.35Å; T900-T904 VanDerWaalsContact O-N 3.09Å; T900-T904 PolarHBondContact O-OG1 3.3Å; T900-T904 VanDerWaalsContact O-OG1 3.1Å; T901-T904 PolarHBondContact O-OG1 3.38Å; T901-T904 WeakPolarHBondContact CA-OG1 3.24Å; T901-T904 PolarHBondContact O-N 3.42Å; T904-S906 PolarHBondContact O-N 2.98Å; T904-S907 PolarHBondContact O-OG 3.12Å; T904-S907 PolarHBondContact O-N 3Å; T904-V908 WeakPolarHBondContact O-CG2 3.31Å; T904-V908 PolarHBondContact O-N 2.88Å |
| 905 | A | 50.6 | Low | 57.8 | Low | 62 Ų | 62 | 99.9 Ų | 99.9 | 51% | 0.512 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T901 N902 S907 V908 S909 | T901-A905 PolarHBondContact O-N 3.38Å; N902-A905 PolarHBondContact O-N 3.05Å; A905-S907 VanDerWaalsContact C-N 3.32Å; A905-S907 PolarHBondContact O-N 3.38Å; A905-V908 PolarHBondContact O-N 3.22Å; A905-S909 PolarHBondContact O-N 3.13Å; A905-S909 PolarHBondContact O-OG 3.34Å |
| 906 | S | 45.3 | Very low | 55.3 | Low | 72 Ų | 72 | 98.4 Ų | 98.4 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.4 | -24.5 | 177.7 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | N902 S903 T904 S909 | N902-S906 PolarHBondContact O-N 2.83Å; N902-S906 VanDerWaalsContact O-N 3.17Å; N902-S906 PolarHBondContact O-OG 2.93Å; S903-S906 PolarHBondContact O-N 3.26Å; S903-S906 PolarHBondContact O-OG 2.97Å; T904-S906 PolarHBondContact O-N 2.98Å; S906-S909 PolarHBondContact O-OG 3.23Å |
| 907 | S | 44.8 | Very low | 53 | Low | 79 Ų | 79 | 98 Ų | 98 | 55% | 0.552 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.7 | -24.1 | 175.1 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | S903 T904 A905 | S903-S907 PolarHBondContact O-N 3.35Å; T904-S907 PolarHBondContact O-OG 3.12Å; T904-S907 PolarHBondContact O-N 3Å; A905-S907 VanDerWaalsContact C-N 3.32Å; A905-S907 PolarHBondContact O-N 3.38Å |
| 908 | V | 46.7 | Very low | 50.9 | Low | 105 Ų | 105 | 102.4 Ų | 102.4 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -89.8 | -23.6 | -176.7 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | T904 A905 N910 S911 | T904-V908 WeakPolarHBondContact O-CG2 3.31Å; T904-V908 PolarHBondContact O-N 2.88Å; A905-V908 PolarHBondContact O-N 3.22Å; V908-N910 VanDerWaalsContact C-N 3.27Å; V908-N910 PolarHBondContact O-N 3.09Å; V908-S911 PolarHBondContact O-OG 2.63Å |
| 909 | S | 44.1 | Very low | 48.7 | Very low | 85 Ų | 85 | 104.6 Ų | 104.6 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -4.4 | 177.8 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | A905 S906 | A905-S909 PolarHBondContact O-N 3.13Å; A905-S909 PolarHBondContact O-OG 3.34Å; S906-S909 PolarHBondContact O-OG 3.23Å |
| 910 | N | 42.2 | Very low | 46.8 | Very low | 150 Ų | 150 | 106 Ų | 106 | 80% | 0.802 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 8.3 | -179.5 | -88.1 | -13.4 | 0 | 0 | 0 | 114.7 | V908 | V908-N910 VanDerWaalsContact C-N 3.27Å; V908-N910 PolarHBondContact O-N 3.09Å |
| 911 | S | 39.4 | Very low | 45.1 | Very low | 94 Ų | 94 | 110.2 Ų | 110.2 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | trans | -115.2 | 68.6 | 179.6 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | V908 | V908-S911 PolarHBondContact O-OG 2.63Š| ||
| 912 | S | 35.5 | Very low | 43.9 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | trans | -144.5 | 94 | 165.4 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 913 | L | 40.2 | Very low | 42.9 | Very low | 168 Ų | 168 | 112 Ų | 112 | 88% | 0.88 | 69% | 0.693 | S | S | * | * | trans | 174.5 | 121.5 | 148.1 | -94.6 | 149.1 | 0 | 0 | 0 | 109.2 | ||||
| 914 | P | 36.9 | Very low | 42.3 | Very low | 110 Ų | 110 | 114.3 Ų | 114.3 | 71% | 0.714 | 71% | 0.706 | S | S | * | * | trans | -96.7 | 133.4 | -176.6 | 34.7 | -27.3 | 0 | 0 | 0 | 110.7 | ||||
| 915 | H | 43.3 | Very low | 41.6 | Very low | 190 Ų | 190 | 116.7 Ų | 116.7 | 88% | 0.88 | 73% | 0.726 | S | S | * | * | trans | -155.2 | 124.4 | 151.2 | -92.4 | -55.7 | 0 | 0 | 0 | 112.7 | ||||
| 916 | T | 37.2 | Very low | 41.5 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -50.5 | 136.7 | 167.5 | 42.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 917 | A | 39 | Very low | 41.3 | Very low | 90 Ų | 90 | 123.6 Ų | 123.6 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | 157.4 | 109.3 | 121.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 918 | T | 39 | Very low | 41.1 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | 46.3 | 101.7 | 130.1 | -14.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 919 | T | 38 | Very low | 40.8 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | 40.6 | 120.7 | 121.8 | -23.8 | 0 | 0 | 0 | 0 | 120 | |||||
| 920 | I | 41.1 | Very low | 40.6 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 70% | 0.697 | 83% | 0.826 | S | S | * | * | 168.1 | 123 | 101.1 | -80 | 173.8 | 0 | 0 | 0 | 110.1 | |||||
| 921 | Q | 40 | Very low | 40.5 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | 25 | 129.2 | 144.7 | -56.9 | 173.1 | -43.4 | 0 | 0 | 120 | ||||
| 922 | A | 41 | Very low | 40.6 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 70% | 0.702 | 84% | 0.839 | S | S | * | * | 167.8 | 121.5 | 84.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 923 | S | 43.1 | Very low | 40.9 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 85% | 0.85 | S | S | * | * | trans | 70.4 | 145.5 | 137.4 | -45.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 924 | P | 44.9 | Very low | 41 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 79% | 0.792 | 85% | 0.848 | S | S | * | * | trans | -112.3 | 158.6 | -164.3 | 39.7 | -26.2 | 0 | 0 | 0 | 114.1 | ||||
| 925 | S | 40.8 | Very low | 41.3 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 90% | 0.902 | 86% | 0.859 | S | S | * | * | trans | 176.8 | 129.7 | 139.7 | 30.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 926 | G | 48.3 | Very low | 41.1 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 100% | 1.608 | 86% | 0.857 | S | S | * | * | trans | 158.3 | 0 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 926 of 926 residues in 244.3 ms
(Link to these results)