| 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 | 49.6 | Very low | 55.1 | Low | 201 Ų | 201 | 111.2 Ų | 111.2 | 99% | 0.99 | 61% | 0.614 | S | S | * | * | 0 | -28.3 | 0 | -92 | -175.3 | 177.4 | 0 | 0 | 112.9 | A3 L4 L5 | M1-A3 PolarHBondContact O-N 3.28Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-L5 PolarHBondContact O-N 2.85Å | |||
| 2 | E | 51.6 | Low | 55.2 | Low | 172 Ų | 172 | 107.3 Ų | 107.3 | 80% | 0.804 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -36.9 | 178.7 | -72 | 173.9 | 148.3 | 0 | 0 | 114.6 | L4 L5 A6 | E2-L4 VanDerWaalsContact C-N 3.31Å; E2-L4 PolarHBondContact O-N 3.4Å; E2-L5 PolarHBondContact O-N 3.27Å; E2-A6 PolarHBondContact O-N 3.4Å; E2-A6 VanDerWaalsContact O-N 3.16Å |
| 3 | A | 51.4 | Low | 55.2 | Low | 78 Ų | 78 | 109.7 Ų | 109.7 | 65% | 0.645 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.3 | -31 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1 | M1-A3 PolarHBondContact O-N 3.28Å |
| 4 | L | 54 | Low | 55.1 | Low | 115 Ų | 115 | 108.6 Ų | 108.6 | 60% | 0.602 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.7 | -31.1 | 177 | -83.6 | 160.7 | 0 | 0 | 0 | 112.2 | M1 E2 | M1-L4 PolarHBondContact O-N 3.29Å; E2-L4 VanDerWaalsContact C-N 3.31Å; E2-L4 PolarHBondContact O-N 3.4Å |
| 5 | L | 58.1 | Low | 55.1 | Low | 85 Ų | 85 | 105.9 Ų | 105.9 | 45% | 0.445 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72 | -30 | 175.8 | -75 | 161.7 | 0 | 0 | 0 | 112.4 | M1 E2 | M1-L5 PolarHBondContact O-N 2.85Å; E2-L5 PolarHBondContact O-N 3.27Å |
| 6 | A | 56.5 | Low | 55.2 | Low | 82 Ų | 82 | 111 Ų | 111 | 68% | 0.678 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71 | -29 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | E2 | E2-A6 PolarHBondContact O-N 3.4Å; E2-A6 VanDerWaalsContact O-N 3.16Å |
| 7 | L | 56.2 | Low | 55.4 | Low | 138 Ų | 138 | 115 Ų | 115 | 72% | 0.723 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -84.5 | -21.6 | -177.7 | -76.6 | 159.1 | 0 | 0 | 0 | 113.2 | ||
| 8 | L | 59.9 | Low | 55.9 | Low | 43 Ų | 43 | 112.3 Ų | 112.3 | 23% | 0.225 | 62% | 0.62 | C | S | . | * | trans | -141.8 | 78.1 | -170.6 | -76.4 | 152.4 | 0 | 0 | 0 | 112.2 | E10 L11 L33 | L8-E10 VanDerWaalsContact C-N 3.28Å; L8-E10 PolarHBondContact O-N 3.13Å; L8-L11 HydrophobicContact CB-CD1 4.19Å; L8-L11 HydrophobicContact CD1-CD1 4.39Å; L8-L11 PolarHBondContact O-N 3.41Å; L8-L33 HydrophobicContact CD2-CD1 3.18Å; L8-L33 HydrophobicContact CD2-CD2 3.85Å; L8-L33 HydrophobicContact CD2-CG 4Å | ||
| 9 | P | 59.9 | Low | 56.4 | Low | 98 Ų | 98 | 115.1 Ų | 115.1 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -64.3 | -28.7 | -175.8 | -20.6 | 32.1 | 0 | 0 | 0 | 114.1 | L11 S12 | P9-L11 PolarHBondContact O-N 2.96Å; P9-S12 PolarHBondContact O-N 3.1Å |
| 10 | E | 53.3 | Low | 57 | Low | 182 Ų | 182 | 114.2 Ų | 114.2 | 85% | 0.85 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -71 | -12.8 | -176.3 | -66.2 | -169.5 | 172.7 | 0 | 0 | 114.3 | L8 | L8-E10 VanDerWaalsContact C-N 3.28Å; L8-E10 PolarHBondContact O-N 3.13Å |
| 11 | L | 55.3 | Low | 57.6 | Low | 29 Ų | 29 | 113.9 Ų | 113.9 | 15% | 0.152 | 62% | 0.615 | C | S | . | * | G | 310 helix | trans | -94.1 | 0.4 | 179.7 | -67.3 | 173.2 | 0 | 0 | 0 | 113.7 | L8 P9 V13 L26 | L8-L11 HydrophobicContact CB-CD1 4.19Å; L8-L11 HydrophobicContact CD1-CD1 4.39Å; L8-L11 PolarHBondContact O-N 3.41Å; P9-L11 PolarHBondContact O-N 2.96Å; L11-V13 VanDerWaalsContact C-N 3.29Å; L11-V13 PolarHBondContact O-N 3.21Å; L11-L26 HydrophobicContact CD1-CD1 4.17Å |
| 12 | S | 56.5 | Low | 58.8 | Low | 64 Ų | 64 | 107.7 Ų | 107.7 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | -20.2 | -174.9 | -74.2 | 0 | 0 | 0 | 0 | 114.7 | P9 | P9-S12 PolarHBondContact O-N 3.1Š|
| 13 | V | 54.9 | Low | 59.6 | Low | 139 Ų | 139 | 102.7 Ų | 102.7 | 84% | 0.842 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -14.6 | -171.6 | -176.5 | 0 | 0 | 0 | 0 | 113.1 | L11 | L11-V13 VanDerWaalsContact C-N 3.29Å; L11-V13 PolarHBondContact O-N 3.21Å |
| 14 | L | 54.5 | Low | 60.6 | Low | 95 Ų | 95 | 105.3 Ų | 105.3 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.8 | -2.5 | -171.8 | -109.3 | 141.6 | 0 | 0 | 0 | 115.4 | Q16 | L14-Q16 PolarHBondContact O-N 3.47Š|
| 15 | A | 54.5 | Low | 61.3 | Low | 68 Ų | 68 | 102 Ų | 102 | 56% | 0.562 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -10.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 16 | Q | 57.7 | Low | 61.8 | Low | 187 Ų | 187 | 100.8 Ų | 100.8 | 87% | 0.874 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -0.5 | -170.7 | -154.5 | 150.7 | -1.2 | 0 | 0 | 115.5 | L14 | L14-Q16 PolarHBondContact O-N 3.47Š|
| 17 | Q | 58.5 | Low | 62.6 | Low | 179 Ų | 179 | 105.1 Ų | 105.1 | 84% | 0.836 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | -13.1 | -178.9 | -72.5 | -161.4 | 32.1 | 0 | 0 | 119.3 | ||
| 18 | N | 64.5 | Low | 63.2 | Low | 67 Ų | 67 | 105.3 Ų | 105.3 | 36% | 0.358 | 54% | 0.535 | S | S | . | . | trans | -165.4 | 115.6 | 165.9 | -145.9 | -42.5 | 0 | 0 | 0 | 111.3 | T20 E21 W22 | N18-T20 PolarHBondContact O-N 3.2Å; N18-T20 PolarHBondContact OD1-N 3.49Å; N18-T20 PolarHBondContact OD1-OG1 3.35Å; N18-E21 HydrophobicContact CB-CB 4.03Å; N18-E21 HydrophobicContact CB-CG 3.89Å; N18-E21 PolarHBondContact O-N 3.34Å; N18-W22 WeakPolarHBondContact O-CB 3.42Å; N18-W22 PolarHBondContact O-N 3.09Å; N18-W22 VanDerWaalsContact O-N 3.09Å | ||
| 19 | Y | 64 | Low | 63.5 | Low | 165 Ų | 165 | 107.6 Ų | 107.6 | 65% | 0.647 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.9 | -31.6 | 177.7 | 179.8 | -107.5 | 0 | 0 | 0 | 111.9 | W22 L23 | Y19-W22 HydrophobicContact CD2-CE3 4.38Å; Y19-W22 HydrophobicContact CE2-CE3 4.33Å; Y19-W22 HydrophobicContact CE2-CZ3 4.32Å; Y19-L23 HydrophobicContact CD1-CD1 3.89Å; Y19-L23 HydrophobicContact CE1-CD1 3.36Å; Y19-L23 HydrophobicContact CE1-CG 4.2Å; Y19-L23 HydrophobicContact CE2-CD1 4.39Å; Y19-L23 HydrophobicContact CE2-CG 4.42Å; Y19-L23 WeakPolarHBondContact O-CG 3.3Å; Y19-L23 PolarHBondContact O-N 2.84Å; Y19-L23 VanDerWaalsContact O-N 3.08Å |
| 20 | T | 69.5 | Low | 63.7 | Low | 96 Ų | 96 | 104.2 Ų | 104.2 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.3 | -41.2 | -177.7 | -14.3 | 0 | 0 | 0 | 0 | 112.8 | N18 Q24 | N18-T20 PolarHBondContact O-N 3.2Å; N18-T20 PolarHBondContact OD1-N 3.49Å; N18-T20 PolarHBondContact OD1-OG1 3.35Å; T20-Q24 PolarHBondContact O-N 3.19Å |
| 21 | E | 69.9 | Low | 64 | Low | 109 Ų | 109 | 99.6 Ų | 99.6 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.8 | -35.4 | 176.5 | -63.5 | 174 | -177 | 0 | 0 | 110.9 | N18 Q24 D25 | N18-E21 HydrophobicContact CB-CB 4.03Å; N18-E21 HydrophobicContact CB-CG 3.89Å; N18-E21 PolarHBondContact O-N 3.34Å; E21-Q24 PolarHBondContact O-N 3.05Å; E21-D25 PolarHBondContact O-N 3.16Å |
| 22 | W | 74.9 | Confident | 64.1 | Low | 70 Ų | 70 | 102.8 Ų | 102.8 | 27% | 0.265 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.3 | -179.6 | 83.6 | 0 | 0 | 0 | 112.5 | N18 Y19 Q24 L26 | N18-W22 WeakPolarHBondContact O-CB 3.42Å; N18-W22 PolarHBondContact O-N 3.09Å; N18-W22 VanDerWaalsContact O-N 3.09Å; Y19-W22 HydrophobicContact CD2-CE3 4.38Å; Y19-W22 HydrophobicContact CE2-CE3 4.33Å; Y19-W22 HydrophobicContact CE2-CZ3 4.32Å; W22-Q24 VanDerWaalsContact C-N 3.26Å; W22-Q24 PolarHBondContact O-N 2.82Å; W22-L26 HydrophobicContact CH2-CD2 4.27Å; W22-L26 HydrophobicContact CZ3-CD2 4.4Å; W22-L26 WeakPolarHBondContact O-CB 3.47Å; W22-L26 PolarHBondContact O-N 3.46Å |
| 23 | L | 68.6 | Low | 64 | Low | 68 Ų | 68 | 104.5 Ų | 104.5 | 36% | 0.356 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -30.3 | 174.9 | -79.1 | 176 | 0 | 0 | 0 | 112.8 | Y19 L26 K27 | Y19-L23 HydrophobicContact CD1-CD1 3.89Å; Y19-L23 HydrophobicContact CE1-CD1 3.36Å; Y19-L23 HydrophobicContact CE1-CG 4.2Å; Y19-L23 HydrophobicContact CE2-CD1 4.39Å; Y19-L23 HydrophobicContact CE2-CG 4.42Å; Y19-L23 WeakPolarHBondContact O-CG 3.3Å; Y19-L23 PolarHBondContact O-N 2.84Å; Y19-L23 VanDerWaalsContact O-N 3.08Å; L23-L26 HydrophobicContact CD2-CD2 4.47Å; L23-K27 WeakPolarHBondContact O-CB 3.43Å; L23-K27 PolarHBondContact O-N 3.42Å; L23-K27 VanDerWaalsContact O-N 3.09Å |
| 24 | Q | 71.9 | Confident | 64 | Low | 132 Ų | 132 | 104.9 Ų | 104.9 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -75.1 | -43.1 | -179.8 | -164.1 | 165.2 | 3.3 | 0 | 0 | 111.8 | T20 E21 W22 K27 E28 | T20-Q24 PolarHBondContact O-N 3.19Å; E21-Q24 PolarHBondContact O-N 3.05Å; W22-Q24 VanDerWaalsContact C-N 3.26Å; W22-Q24 PolarHBondContact O-N 2.82Å; Q24-K27 PolarHBondContact O-N 3.35Å; Q24-E28 WeakPolarHBondContact O-CB 3.33Å; Q24-E28 PolarHBondContact O-N 3.39Å |
| 25 | D | 67.5 | Low | 63.7 | Low | 46 Ų | 46 | 108.8 Ų | 108.8 | 25% | 0.246 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -68.7 | -34 | 174.8 | -153.6 | 47.5 | 0 | 0 | 0 | 111.5 | E21 K27 E28 K29 | E21-D25 PolarHBondContact O-N 3.16Å; D25-K27 VanDerWaalsContact C-N 3.34Å; D25-K27 PolarHBondContact O-N 3.25Å; D25-E28 PolarHBondContact O-N 3.35Å; D25-K29 WeakPolarHBondContact O-CB 3.44Å; D25-K29 PolarHBondContact O-N 3.31Å; D25-K29 VanDerWaalsContact OD1-CE 3.3Å; D25-K29 WeakPolarHBondContact OD1-CE 3.44Å; D25-K29 IonicContact OD1-NZ 3.4Å; D25-K29 PolarHBondContact OD1-NZ 3.05Å; D25-K29 WeakPolarHBondContact OD2-CE 3.32Å; D25-K29 IonicContact OD2-NZ 2.85Å; D25-K29 PolarHBondContact OD2-NZ 3.09Å |
| 26 | L | 69.2 | Low | 63.3 | Low | 60 Ų | 60 | 113.3 Ų | 113.3 | 31% | 0.314 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.6 | -41.7 | 171 | -173.5 | 80.5 | 0 | 0 | 0 | 111.7 | L11 W22 L23 G30 | L11-L26 HydrophobicContact CD1-CD1 4.17Å; W22-L26 HydrophobicContact CH2-CD2 4.27Å; W22-L26 HydrophobicContact CZ3-CD2 4.4Å; W22-L26 WeakPolarHBondContact O-CB 3.47Å; W22-L26 PolarHBondContact O-N 3.46Å; L23-L26 HydrophobicContact CD2-CD2 4.47Å; L26-G30 VanDerWaalsContact O-CA 3.32Å; L26-G30 WeakPolarHBondContact O-CA 3.42Å; L26-G30 PolarHBondContact O-N 3.42Å |
| 27 | K | 73.1 | Confident | 62.6 | Low | 172 Ų | 172 | 109.2 Ų | 109.2 | 75% | 0.748 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.2 | -33.5 | 178.3 | -173.2 | 179.9 | 178.8 | -176.8 | 0 | 112.2 | L23 Q24 D25 P31 | L23-K27 WeakPolarHBondContact O-CB 3.43Å; L23-K27 PolarHBondContact O-N 3.42Å; L23-K27 VanDerWaalsContact O-N 3.09Å; Q24-K27 PolarHBondContact O-N 3.35Å; D25-K27 VanDerWaalsContact C-N 3.34Å; D25-K27 PolarHBondContact O-N 3.25Å; K27-P31 WeakPolarHBondContact O-CD 3.37Å |
| 28 | E | 69.9 | Low | 62.1 | Low | 142 Ų | 142 | 106.8 Ų | 106.8 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -83.6 | -35.6 | -177.8 | -159.5 | 168.2 | -160.7 | 0 | 0 | 112.7 | Q24 D25 | Q24-E28 WeakPolarHBondContact O-CB 3.33Å; Q24-E28 PolarHBondContact O-N 3.39Å; D25-E28 PolarHBondContact O-N 3.35Å |
| 29 | K | 64.4 | Low | 60.9 | Low | 92 Ų | 92 | 107.5 Ų | 107.5 | 40% | 0.4 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -95.3 | -16.8 | 178.8 | -63.8 | -172.1 | -178.4 | 155.1 | 0 | 114.9 | D25 P31 T32 L33 | D25-K29 WeakPolarHBondContact O-CB 3.44Å; D25-K29 PolarHBondContact O-N 3.31Å; D25-K29 VanDerWaalsContact OD1-CE 3.3Å; D25-K29 WeakPolarHBondContact OD1-CE 3.44Å; D25-K29 IonicContact OD1-NZ 3.4Å; D25-K29 PolarHBondContact OD1-NZ 3.05Å; D25-K29 WeakPolarHBondContact OD2-CE 3.32Å; D25-K29 IonicContact OD2-NZ 2.85Å; D25-K29 PolarHBondContact OD2-NZ 3.09Å; K29-P31 VanDerWaalsContact C-CD 3.49Å; K29-T32 WeakPolarHBondContact CA-OG1 3.5Å; K29-T32 PolarHBondContact O-N 3.26Å; K29-T32 VanDerWaalsContact O-N 3.13Å; K29-T32 PolarHBondContact O-OG1 3.08Å; K29-T32 VanDerWaalsContact O-OG1 3.1Å; K29-L33 HydrophobicContact CB-CD1 4.29Å; K29-L33 WeakPolarHBondContact O-CD1 3.36Å; K29-L33 PolarHBondContact O-N 3.38Å |
| 30 | G | 64.9 | Low | 60 | Low | 27 Ų | 27 | 105.9 Ų | 105.9 | 28% | 0.278 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -52.8 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L26 T32 L33 L34 | L26-G30 VanDerWaalsContact O-CA 3.32Å; L26-G30 WeakPolarHBondContact O-CA 3.42Å; L26-G30 PolarHBondContact O-N 3.42Å; G30-T32 VanDerWaalsContact C-N 3.31Å; G30-T32 PolarHBondContact O-N 3.23Å; G30-L33 PolarHBondContact O-N 2.98Å; G30-L34 PolarHBondContact O-N 2.89Å |
| 31 | P | 59.3 | Low | 58.9 | Low | 85 Ų | 85 | 105.9 Ų | 105.9 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.8 | -25.2 | 178.2 | -18.5 | 30.9 | 0 | 0 | 0 | 114.1 | K27 K29 | K27-P31 WeakPolarHBondContact O-CD 3.37Å; K29-P31 VanDerWaalsContact C-CD 3.49Å |
| 32 | T | 58 | Low | 58 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 59% | 0.589 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -80.7 | -29.4 | -179.8 | -1.1 | 0 | 0 | 0 | 0 | 112.2 | K29 G30 | K29-T32 WeakPolarHBondContact CA-OG1 3.5Å; K29-T32 PolarHBondContact O-N 3.26Å; K29-T32 VanDerWaalsContact O-N 3.13Å; K29-T32 PolarHBondContact O-OG1 3.08Å; K29-T32 VanDerWaalsContact O-OG1 3.1Å; G30-T32 VanDerWaalsContact C-N 3.31Å; G30-T32 PolarHBondContact O-N 3.23Å |
| 33 | L | 54.9 | Low | 56.7 | Low | 99 Ų | 99 | 111.1 Ų | 111.1 | 52% | 0.518 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -84.7 | -20.4 | 177 | -72.5 | 149.8 | 0 | 0 | 0 | 113.2 | L8 K29 G30 K35 | L8-L33 HydrophobicContact CD2-CD1 3.18Å; L8-L33 HydrophobicContact CD2-CD2 3.85Å; L8-L33 HydrophobicContact CD2-CG 4Å; K29-L33 HydrophobicContact CB-CD1 4.29Å; K29-L33 WeakPolarHBondContact O-CD1 3.36Å; K29-L33 PolarHBondContact O-N 3.38Å; G30-L33 PolarHBondContact O-N 2.98Å; L33-K35 PolarHBondContact O-N 3.29Å |
| 34 | L | 54.3 | Low | 56.4 | Low | 147 Ų | 147 | 111 Ų | 111 | 77% | 0.77 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -2.3 | 175.2 | -122.6 | 133.9 | 0 | 0 | 0 | 114.3 | G30 | G30-L34 PolarHBondContact O-N 2.89Š|
| 35 | K | 47.9 | Very low | 56.6 | Low | 177 Ų | 177 | 109.7 Ų | 109.7 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 0.2 | 179.4 | -82.9 | -173.7 | 177.7 | 178.4 | 0 | 114.9 | L33 P37 | L33-K35 PolarHBondContact O-N 3.29Å; K35-P37 WeakPolarHBondContact O-CD 3.37Å |
| 36 | H | 46.8 | Very low | 57.2 | Low | 163 Ų | 163 | 112.1 Ų | 112.1 | 76% | 0.755 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -87.1 | 115.9 | 167.1 | -144.4 | -74.9 | 0 | 0 | 0 | 108.7 | ||
| 37 | P | 42.9 | Very low | 57.9 | Low | 102 Ų | 102 | 114.9 Ų | 114.9 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -62 | 133.5 | 178.2 | -15 | 27.8 | 0 | 0 | 0 | 109.3 | K35 A39 | K35-P37 WeakPolarHBondContact O-CD 3.37Å; P37-A39 PolarHBondContact O-N 2.85Å |
| 38 | P | 47.1 | Very low | 58.4 | Low | 127 Ų | 127 | 108.9 Ų | 108.9 | 83% | 0.825 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 117.8 | 162.7 | 9.2 | 4.9 | 0 | 0 | 0 | 107.5 | ||
| 39 | A | 38.9 | Very low | 59.1 | Low | 83 Ų | 83 | 104 Ų | 104 | 69% | 0.686 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 146.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109 | P37 A41 | P37-A39 PolarHBondContact O-N 2.85Å; A39-A41 PolarHBondContact O-N 3.48Å |
| 40 | P | 46.9 | Very low | 60.4 | Low | 131 Ų | 131 | 105 Ų | 105 | 85% | 0.851 | 62% | 0.623 | S | S | * | * | trans | -69.6 | 93.5 | -179.1 | 29.1 | -31.9 | 0 | 0 | 0 | 108.9 | E42 | P40-E42 PolarHBondContact O-N 3.3Š| ||
| 41 | A | 46.1 | Very low | 61.6 | Low | 95 Ų | 95 | 108.6 Ų | 108.6 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | trans | -77.7 | 104.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | A39 | A39-A41 PolarHBondContact O-N 3.48Š| ||
| 42 | E | 49.6 | Very low | 63.2 | Low | 177 Ų | 177 | 111.8 Ų | 111.8 | 83% | 0.827 | 64% | 0.636 | S | S | * | * | trans | -52.4 | 135.1 | 162.7 | -67.9 | -170.6 | 156.7 | 0 | 0 | 108.9 | P40 S44 | P40-E42 PolarHBondContact O-N 3.3Å; E42-S44 PolarHBondContact O-N 2.79Å | ||
| 43 | P | 48.8 | Very low | 64.9 | Low | 112 Ų | 112 | 112.9 Ų | 112.9 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | trans | -62.2 | 114.1 | 176.2 | 25.6 | -31.9 | 0 | 0 | 0 | 108.5 | S45 | P43-S45 PolarHBondContact O-N 2.89Š| ||
| 44 | S | 62.1 | Low | 66.7 | Low | 65 Ų | 65 | 110.6 Ų | 110.6 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | trans | -54.9 | 126 | 175.1 | 62.2 | 0 | 0 | 0 | 0 | 109.3 | E42 D46 L47 | E42-S44 PolarHBondContact O-N 2.79Å; S44-D46 PolarHBondContact O-N 2.93Å; S44-L47 PolarHBondContact O-N 3.39Å; S44-L47 WeakPolarHBondContact OG-CD1 3.45Å | ||
| 45 | S | 75.6 | Confident | 68.6 | Low | 105 Ų | 105 | 108.5 Ų | 108.5 | 73% | 0.734 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -48 | -27.8 | -174.5 | -174.3 | 0 | 0 | 0 | 0 | 115.1 | P43 A48 S49 | P43-S45 PolarHBondContact O-N 2.89Å; S45-A48 PolarHBondContact O-N 3.22Å; S45-S49 PolarHBondContact O-N 3.38Å; S45-S49 PolarHBondContact O-OG 2.94Å |
| 46 | D | 81.1 | Confident | 70.8 | Confident | 98 Ų | 98 | 105.6 Ų | 105.6 | 52% | 0.524 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -75.3 | -25 | -179.1 | -156.7 | 57.2 | 0 | 0 | 0 | 114.1 | S44 S49 K50 | S44-D46 PolarHBondContact O-N 2.93Å; D46-S49 WeakPolarHBondContact CA-OG 3.39Å; D46-S49 PolarHBondContact O-OG 3.03Å; D46-K50 WeakPolarHBondContact O-CG 3.33Å; D46-K50 PolarHBondContact O-N 3.17Å; D46-K50 IonicContact OD2-NZ 2.79Å; D46-K50 PolarHBondContact OD2-NZ 3.18Å |
| 47 | L | 83.2 | Confident | 73.1 | Confident | 117 Ų | 117 | 101.7 Ų | 101.7 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -77.9 | -34.1 | 172.3 | -72.5 | 174.3 | 0 | 0 | 0 | 111.3 | S44 L51 | S44-L47 PolarHBondContact O-N 3.39Å; S44-L47 WeakPolarHBondContact OG-CD1 3.45Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 PolarHBondContact O-N 3.43Å |
| 48 | A | 83.6 | Confident | 75.7 | Confident | 46 Ų | 46 | 103.2 Ų | 103.2 | 38% | 0.38 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.8 | -35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S45 R52 | S45-A48 PolarHBondContact O-N 3.22Å; A48-R52 PolarHBondContact O-N 2.96Å |
| 49 | S | 85.1 | Confident | 78.1 | Confident | 40 Ų | 40 | 101 Ų | 101 | 28% | 0.28 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.3 | -46.6 | 172.5 | 49.8 | 0 | 0 | 0 | 0 | 112 | S45 D46 L51 R52 E53 | S45-S49 PolarHBondContact O-N 3.38Å; S45-S49 PolarHBondContact O-OG 2.94Å; D46-S49 WeakPolarHBondContact CA-OG 3.39Å; D46-S49 PolarHBondContact O-OG 3.03Å; S49-L51 PolarHBondContact O-N 3.2Å; S49-R52 WeakPolarHBondContact O-CB 3.41Å; S49-R52 PolarHBondContact O-N 3.49Å; S49-E53 WeakPolarHBondContact O-CG 3.33Å; S49-E53 PolarHBondContact O-N 3.02Å |
| 50 | K | 91.6 | Very high | 80.8 | Confident | 114 Ų | 114 | 100.7 Ų | 100.7 | 50% | 0.496 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.1 | -36.7 | 177.1 | -75.5 | 170.8 | 177.6 | 145.7 | 0 | 113.5 | D46 A54 | D46-K50 WeakPolarHBondContact O-CG 3.33Å; D46-K50 PolarHBondContact O-N 3.17Å; D46-K50 IonicContact OD2-NZ 2.79Å; D46-K50 PolarHBondContact OD2-NZ 3.18Å; K50-A54 WeakPolarHBondContact O-CB 3.16Å; K50-A54 PolarHBondContact O-N 2.93Å |
| 51 | L | 90.6 | Very high | 83.3 | Confident | 101 Ų | 101 | 99.3 Ų | 99.3 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.4 | -45.1 | 173.4 | -179.5 | 65.5 | 0 | 0 | 0 | 110.8 | L47 S49 A54 E55 | L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 PolarHBondContact O-N 3.43Å; S49-L51 PolarHBondContact O-N 3.2Å; L51-A54 PolarHBondContact O-N 2.87Å; L51-E55 HydrophobicContact CD1-CG 4.47Å; L51-E55 HydrophobicContact CG-CG 4.48Å; L51-E55 WeakPolarHBondContact O-CB 3.49Å; L51-E55 VanDerWaalsContact O-CG 3.3Å; L51-E55 WeakPolarHBondContact O-CG 3.49Å; L51-E55 PolarHBondContact O-N 3.28Å |
| 52 | R | 92.1 | Very high | 85.7 | Confident | 152 Ų | 152 | 99.5 Ų | 99.5 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 177.4 | -168 | -173.3 | -58.3 | 156.6 | 3.6 | 112.1 | A48 S49 A54 E55 E56 | A48-R52 PolarHBondContact O-N 2.96Å; S49-R52 WeakPolarHBondContact O-CB 3.41Å; S49-R52 PolarHBondContact O-N 3.49Å; R52-A54 VanDerWaalsContact C-N 3.35Å; R52-E55 PolarHBondContact O-N 2.83Å; R52-E56 WeakPolarHBondContact O-CB 3.29Å; R52-E56 WeakPolarHBondContact O-CG 3.45Å; R52-E56 PolarHBondContact O-N 2.86Å |
| 53 | E | 93.3 | Very high | 88 | Confident | 120 Ų | 120 | 93.9 Ų | 93.9 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -39.5 | 174.7 | -72.5 | 174.2 | -173.3 | 0 | 0 | 112 | S49 E56 T57 | S49-E53 WeakPolarHBondContact O-CG 3.33Å; S49-E53 PolarHBondContact O-N 3.02Å; E53-E56 PolarHBondContact O-N 3.46Å; E53-T57 WeakPolarHBondContact O-CB 3.3Å; E53-T57 VanDerWaalsContact O-CG2 3.29Å; E53-T57 WeakPolarHBondContact O-CG2 3.44Å; E53-T57 PolarHBondContact O-N 2.99Å; E53-T57 PolarHBondContact O-OG1 3.48Å |
| 54 | A | 93.9 | Very high | 90.3 | Very high | 51 Ų | 51 | 92.4 Ų | 92.4 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K50 L51 R52 T57 Q58 | K50-A54 WeakPolarHBondContact O-CB 3.16Å; K50-A54 PolarHBondContact O-N 2.93Å; L51-A54 PolarHBondContact O-N 2.87Å; R52-A54 VanDerWaalsContact C-N 3.35Å; A54-T57 WeakPolarHBondContact CA-OG1 3.44Å; A54-T57 PolarHBondContact O-OG1 2.84Å; A54-Q58 WeakPolarHBondContact O-CB 3.37Å; A54-Q58 PolarHBondContact O-N 2.92Å |
| 55 | E | 93.6 | Very high | 92 | Very high | 102 Ų | 102 | 92.4 Ų | 92.4 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 174.5 | -75.4 | 171.4 | 173.1 | 0 | 0 | 111.7 | L51 R52 Q58 S59 | L51-E55 HydrophobicContact CD1-CG 4.47Å; L51-E55 HydrophobicContact CG-CG 4.48Å; L51-E55 WeakPolarHBondContact O-CB 3.49Å; L51-E55 VanDerWaalsContact O-CG 3.3Å; L51-E55 WeakPolarHBondContact O-CG 3.49Å; L51-E55 PolarHBondContact O-N 3.28Å; R52-E55 PolarHBondContact O-N 2.83Å; E55-Q58 PolarHBondContact O-N 3.44Å; E55-S59 VanDerWaalsContact O-CB 3.3Å; E55-S59 WeakPolarHBondContact O-CB 3.44Å; E55-S59 PolarHBondContact O-N 3.24Å |
| 56 | E | 94.9 | Very high | 93.1 | Very high | 116 Ų | 116 | 90.8 Ų | 90.8 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 176.2 | -76.6 | 174.3 | -169.6 | 0 | 0 | 111.8 | R52 E53 S59 T60 | R52-E56 WeakPolarHBondContact O-CB 3.29Å; R52-E56 WeakPolarHBondContact O-CG 3.45Å; R52-E56 PolarHBondContact O-N 2.86Å; E53-E56 PolarHBondContact O-N 3.46Å; E56-S59 PolarHBondContact O-N 2.94Å; E56-T60 WeakPolarHBondContact O-CB 3.48Å; E56-T60 PolarHBondContact O-N 2.77Å; E56-T60 PolarHBondContact O-OG1 3.15Å |
| 57 | T | 94.8 | Very high | 93.9 | Very high | 82 Ų | 82 | 91.8 Ų | 91.8 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 175.6 | 52 | 0 | 0 | 0 | 0 | 112.2 | E53 A54 T60 L61 | E53-T57 WeakPolarHBondContact O-CB 3.3Å; E53-T57 VanDerWaalsContact O-CG2 3.29Å; E53-T57 WeakPolarHBondContact O-CG2 3.44Å; E53-T57 PolarHBondContact O-N 2.99Å; E53-T57 PolarHBondContact O-OG1 3.48Å; A54-T57 WeakPolarHBondContact CA-OG1 3.44Å; A54-T57 PolarHBondContact O-OG1 2.84Å; T57-T60 PolarHBondContact O-N 3.29Å; T57-L61 WeakPolarHBondContact O-CG 3.3Å; T57-L61 PolarHBondContact O-N 2.89Å |
| 58 | Q | 96.3 | Very high | 94.7 | Very high | 133 Ų | 133 | 93.1 Ų | 93.1 | 62% | 0.621 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.1 | -46.7 | 171.2 | -178.2 | -175.2 | 20.6 | 0 | 0 | 110.9 | A54 E55 T60 L61 Q62 | A54-Q58 WeakPolarHBondContact O-CB 3.37Å; A54-Q58 PolarHBondContact O-N 2.92Å; E55-Q58 PolarHBondContact O-N 3.44Å; Q58-T60 VanDerWaalsContact C-N 3.28Å; Q58-T60 PolarHBondContact O-N 3.41Å; Q58-L61 PolarHBondContact O-N 3.41Å; Q58-Q62 VanDerWaalsContact O-CB 3.22Å; Q58-Q62 WeakPolarHBondContact O-CB 3.43Å; Q58-Q62 PolarHBondContact O-N 3.36Å |
| 59 | S | 97.3 | Very high | 95.4 | Very high | 80 Ų | 80 | 98.5 Ų | 98.5 | 56% | 0.559 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.5 | -39.3 | 177 | -175 | 0 | 0 | 0 | 0 | 111.7 | E55 E56 A63 | E55-S59 VanDerWaalsContact O-CB 3.3Å; E55-S59 WeakPolarHBondContact O-CB 3.44Å; E55-S59 PolarHBondContact O-N 3.24Å; E56-S59 PolarHBondContact O-N 2.94Å; S59-A63 PolarHBondContact O-N 2.95Å |
| 60 | T | 97.3 | Very high | 96 | Very high | 77 Ų | 77 | 99.4 Ų | 99.4 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -50.1 | 178.7 | -54 | 0 | 0 | 0 | 0 | 111.1 | E56 T57 Q58 Q62 A63 E64 | E56-T60 WeakPolarHBondContact O-CB 3.48Å; E56-T60 PolarHBondContact O-N 2.77Å; E56-T60 PolarHBondContact O-OG1 3.15Å; T57-T60 PolarHBondContact O-N 3.29Å; Q58-T60 VanDerWaalsContact C-N 3.28Å; Q58-T60 PolarHBondContact O-N 3.41Å; T60-Q62 VanDerWaalsContact C-N 3.28Å; T60-Q62 PolarHBondContact O-N 2.91Å; T60-A63 WeakPolarHBondContact O-CB 3.49Å; T60-A63 PolarHBondContact O-N 3.38Å; T60-A63 VanDerWaalsContact O-N 3.13Å; T60-E64 PolarHBondContact O-N 2.83Å |
| 61 | L | 97.7 | Very high | 96.3 | Very high | 103 Ų | 103 | 97.5 Ų | 97.5 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 176.4 | -72.7 | 173.8 | 0 | 0 | 0 | 112.2 | T57 Q58 E64 C65 | T57-L61 WeakPolarHBondContact O-CG 3.3Å; T57-L61 PolarHBondContact O-N 2.89Å; Q58-L61 PolarHBondContact O-N 3.41Å; L61-E64 PolarHBondContact O-N 2.87Å; L61-C65 WeakPolarHBondContact O-CB 3.02Å; L61-C65 PolarHBondContact O-N 3.13Å; L61-C65 PolarHBondContact O-SG 2.87Å |
| 62 | Q | 97.5 | Very high | 96.7 | Very high | 98 Ų | 98 | 97.7 Ų | 97.7 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 174.2 | -178.3 | 60.5 | 43.1 | 0 | 0 | 111 | Q58 T60 E64 C65 D66 | Q58-Q62 VanDerWaalsContact O-CB 3.22Å; Q58-Q62 WeakPolarHBondContact O-CB 3.43Å; Q58-Q62 PolarHBondContact O-N 3.36Å; T60-Q62 VanDerWaalsContact C-N 3.28Å; T60-Q62 PolarHBondContact O-N 2.91Å; Q62-E64 PolarHBondContact O-N 3.37Å; Q62-C65 WeakPolarHBondContact O-CB 3.44Å; Q62-C65 PolarHBondContact O-N 3.43Å; Q62-D66 PolarHBondContact NE2-OD1 3.24Å; Q62-D66 PolarHBondContact NE2-OD2 3.49Å; Q62-D66 VanDerWaalsContact O-CG 3.28Å; Q62-D66 PolarHBondContact O-N 3.44Å |
| 63 | A | 97.7 | Very high | 97 | Very high | 59 Ų | 59 | 93.1 Ų | 93.1 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S59 T60 D66 Q67 | S59-A63 PolarHBondContact O-N 2.95Å; T60-A63 WeakPolarHBondContact O-CB 3.49Å; T60-A63 PolarHBondContact O-N 3.38Å; T60-A63 VanDerWaalsContact O-N 3.13Å; A63-D66 PolarHBondContact O-N 3.34Å; A63-Q67 WeakPolarHBondContact O-CB 3.22Å; A63-Q67 PolarHBondContact O-N 3.41Å |
| 64 | E | 97.9 | Very high | 97.2 | Very high | 81 Ų | 81 | 92.9 Ų | 92.9 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.1 | -70.7 | 178.3 | -172.6 | 0 | 0 | 111.7 | T60 L61 Q62 D66 Q67 Y68 | T60-E64 PolarHBondContact O-N 2.83Å; L61-E64 PolarHBondContact O-N 2.87Å; Q62-E64 PolarHBondContact O-N 3.37Å; E64-D66 VanDerWaalsContact C-N 3.32Å; E64-D66 PolarHBondContact O-N 2.94Å; E64-Q67 WeakPolarHBondContact O-CB 3.47Å; E64-Q67 PolarHBondContact O-N 2.95Å; E64-Y68 HydrophobicContact CB-CE2 4.24Å; E64-Y68 WeakPolarHBondContact O-CD2 3.44Å; E64-Y68 PolarHBondContact O-N 3.02Å |
| 65 | C | 97.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 93 Ų | 93 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 175.5 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | L61 Q62 Y68 R69 | L61-C65 WeakPolarHBondContact O-CB 3.02Å; L61-C65 PolarHBondContact O-N 3.13Å; L61-C65 PolarHBondContact O-SG 2.87Å; Q62-C65 WeakPolarHBondContact O-CB 3.44Å; Q62-C65 PolarHBondContact O-N 3.43Å; C65-Y68 PolarHBondContact O-N 2.78Å; C65-R69 WeakPolarHBondContact O-CB 3.46Å; C65-R69 PolarHBondContact O-N 3.05Å |
| 66 | D | 98 | Very high | 97.7 | Very high | 70 Ų | 70 | 93.1 Ų | 93.1 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 177.4 | -67.7 | -27.4 | 0 | 0 | 0 | 111.2 | Q62 A63 E64 R69 S70 | Q62-D66 PolarHBondContact NE2-OD1 3.24Å; Q62-D66 PolarHBondContact NE2-OD2 3.49Å; Q62-D66 VanDerWaalsContact O-CG 3.28Å; Q62-D66 PolarHBondContact O-N 3.44Å; A63-D66 PolarHBondContact O-N 3.34Å; E64-D66 VanDerWaalsContact C-N 3.32Å; E64-D66 PolarHBondContact O-N 2.94Å; D66-R69 PolarHBondContact O-N 2.87Å; D66-R69 IonicContact OD1-NH1 2.78Å; D66-R69 PolarHBondContact OD1-NH1 3.35Å; D66-S70 PolarHBondContact O-N 3.26Å |
| 67 | Q | 98.5 | Very high | 97.8 | Very high | 119 Ų | 119 | 88.4 Ų | 88.4 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.7 | -47.3 | 171.6 | -171.6 | 178.9 | 20.1 | 0 | 0 | 111.8 | A63 E64 R69 S70 I71 | A63-Q67 WeakPolarHBondContact O-CB 3.22Å; A63-Q67 PolarHBondContact O-N 3.41Å; E64-Q67 WeakPolarHBondContact O-CB 3.47Å; E64-Q67 PolarHBondContact O-N 2.95Å; Q67-R69 VanDerWaalsContact C-N 3.3Å; Q67-R69 PolarHBondContact O-N 3.03Å; Q67-S70 WeakPolarHBondContact O-CB 3.44Å; Q67-S70 PolarHBondContact O-N 2.88Å; Q67-S70 VanDerWaalsContact O-N 3.15Å; Q67-I71 HydrophobicContact CG-CD1 4.06Å; Q67-I71 WeakPolarHBondContact O-CG1 3.4Å; Q67-I71 PolarHBondContact O-N 2.9Å |
| 68 | Y | 98.4 | Very high | 98 | Very high | 145 Ų | 145 | 89.7 Ų | 89.7 | 57% | 0.569 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.6 | -39.3 | 176.1 | -70.9 | -55.2 | 0 | 0 | 0 | 112.1 | E64 C65 S70 I71 L72 | E64-Y68 HydrophobicContact CB-CE2 4.24Å; E64-Y68 WeakPolarHBondContact O-CD2 3.44Å; E64-Y68 PolarHBondContact O-N 3.02Å; C65-Y68 PolarHBondContact O-N 2.78Å; Y68-S70 VanDerWaalsContact C-N 3.3Å; Y68-S70 PolarHBondContact O-N 3.2Å; Y68-I71 PolarHBondContact O-N 2.88Å; Y68-L72 WeakPolarHBondContact O-CB 3.4Å; Y68-L72 WeakPolarHBondContact O-CG 3.32Å; Y68-L72 PolarHBondContact O-N 2.95Å |
| 69 | R | 98.6 | Very high | 98.1 | Very high | 160 Ų | 160 | 88.8 Ų | 88.8 | 60% | 0.604 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.5 | -38.9 | 175.4 | -165 | -176.6 | -74.3 | 114 | -3.7 | 111.3 | C65 D66 Q67 A73 | C65-R69 WeakPolarHBondContact O-CB 3.46Å; C65-R69 PolarHBondContact O-N 3.05Å; D66-R69 PolarHBondContact O-N 2.87Å; D66-R69 IonicContact OD1-NH1 2.78Å; D66-R69 PolarHBondContact OD1-NH1 3.35Å; Q67-R69 VanDerWaalsContact C-N 3.3Å; Q67-R69 PolarHBondContact O-N 3.03Å; R69-A73 PolarHBondContact O-N 3.12Å; R69-A73 VanDerWaalsContact O-N 3.09Å |
| 70 | S | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 91.9 Ų | 91.9 | 41% | 0.406 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.5 | -50.2 | 173.8 | -162.9 | 0 | 0 | 0 | 0 | 111.8 | D66 Q67 Y68 L72 A73 E74 | D66-S70 PolarHBondContact O-N 3.26Å; Q67-S70 WeakPolarHBondContact O-CB 3.44Å; Q67-S70 PolarHBondContact O-N 2.88Å; Q67-S70 VanDerWaalsContact O-N 3.15Å; Y68-S70 VanDerWaalsContact C-N 3.3Å; Y68-S70 PolarHBondContact O-N 3.2Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.45Å; S70-A73 PolarHBondContact O-N 3.09Å; S70-A73 VanDerWaalsContact O-N 3.12Å; S70-E74 WeakPolarHBondContact O-CG 3.42Å; S70-E74 PolarHBondContact O-N 2.89Å; S70-E74 PolarHBondContact OG-OE1 3.44Å; S70-E74 VanDerWaalsContact OG-OE1 3.11Å |
| 71 | I | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 93.6 Ų | 93.6 | 38% | 0.379 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | -179.7 | -65.8 | 167.1 | 0 | 0 | 0 | 111 | Q67 Y68 E74 T75 | Q67-I71 HydrophobicContact CG-CD1 4.06Å; Q67-I71 WeakPolarHBondContact O-CG1 3.4Å; Q67-I71 PolarHBondContact O-N 2.9Å; Y68-I71 PolarHBondContact O-N 2.88Å; I71-E74 PolarHBondContact O-N 3.4Å; I71-T75 HydrophobicContact CG2-CG2 4.28Å; I71-T75 WeakPolarHBondContact O-CB 3.36Å; I71-T75 VanDerWaalsContact O-CG2 3.32Å; I71-T75 WeakPolarHBondContact O-CG2 3.4Å; I71-T75 PolarHBondContact O-N 3.35Å; I71-T75 PolarHBondContact O-OG1 2.88Å |
| 72 | L | 98.4 | Very high | 98.3 | Very high | 105 Ų | 105 | 93.8 Ų | 93.8 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 175 | -76.7 | 169.9 | 0 | 0 | 0 | 111.7 | Y68 S70 E74 T75 E76 | Y68-L72 WeakPolarHBondContact O-CB 3.4Å; Y68-L72 WeakPolarHBondContact O-CG 3.32Å; Y68-L72 PolarHBondContact O-N 2.95Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.45Å; L72-E74 VanDerWaalsContact C-N 3.34Å; L72-E74 PolarHBondContact O-N 3.15Å; L72-T75 WeakPolarHBondContact CA-OG1 3.31Å; L72-T75 PolarHBondContact O-N 3.38Å; L72-T75 PolarHBondContact O-OG1 3.44Å; L72-E76 WeakPolarHBondContact O-CB 3.37Å; L72-E76 VanDerWaalsContact O-CG 3.31Å; L72-E76 WeakPolarHBondContact O-CG 3.34Å; L72-E76 PolarHBondContact O-N 2.99Å |
| 73 | A | 98.3 | Very high | 98.3 | Very high | 56 Ų | 56 | 94.8 Ų | 94.8 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R69 S70 G77 | R69-A73 PolarHBondContact O-N 3.12Å; R69-A73 VanDerWaalsContact O-N 3.09Å; S70-A73 PolarHBondContact O-N 3.09Å; S70-A73 VanDerWaalsContact O-N 3.12Å; A73-G77 PolarHBondContact O-N 3.05Å |
| 74 | E | 98.3 | Very high | 98.4 | Very high | 116 Ų | 116 | 97.6 Ų | 97.6 | 54% | 0.542 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 176.1 | -73 | 168.7 | -147.2 | 0 | 0 | 111.9 | S70 I71 L72 G77 M78 | S70-E74 WeakPolarHBondContact O-CG 3.42Å; S70-E74 PolarHBondContact O-N 2.89Å; S70-E74 PolarHBondContact OG-OE1 3.44Å; S70-E74 VanDerWaalsContact OG-OE1 3.11Å; I71-E74 PolarHBondContact O-N 3.4Å; L72-E74 VanDerWaalsContact C-N 3.34Å; L72-E74 PolarHBondContact O-N 3.15Å; E74-G77 WeakPolarHBondContact O-CA 3.38Å; E74-G77 PolarHBondContact O-N 3.15Å; E74-G77 VanDerWaalsContact O-N 3.13Å; E74-M78 PolarHBondContact O-N 3.49Å |
| 75 | T | 98.3 | Very high | 98.4 | Very high | 52 Ų | 52 | 96.8 Ų | 96.8 | 32% | 0.319 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 178.9 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | I71 L72 G77 M78 L79 | I71-T75 HydrophobicContact CG2-CG2 4.28Å; I71-T75 WeakPolarHBondContact O-CB 3.36Å; I71-T75 VanDerWaalsContact O-CG2 3.32Å; I71-T75 WeakPolarHBondContact O-CG2 3.4Å; I71-T75 PolarHBondContact O-N 3.35Å; I71-T75 PolarHBondContact O-OG1 2.88Å; L72-T75 WeakPolarHBondContact CA-OG1 3.31Å; L72-T75 PolarHBondContact O-N 3.38Å; L72-T75 PolarHBondContact O-OG1 3.44Å; T75-G77 VanDerWaalsContact C-N 3.28Å; T75-G77 PolarHBondContact O-N 3.11Å; T75-M78 HydrophobicContact CG2-CE 3.79Å; T75-M78 PolarHBondContact O-N 2.92Å; T75-L79 WeakPolarHBondContact O-CB 3.49Å; T75-L79 WeakPolarHBondContact O-CG 3.42Å; T75-L79 PolarHBondContact O-N 3.34Å |
| 76 | E | 98.1 | Very high | 98.4 | Very high | 105 Ų | 105 | 98 Ų | 98 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 169 | -76.2 | -179.4 | -171.1 | 0 | 0 | 111.9 | L72 L79 R80 | L72-E76 WeakPolarHBondContact O-CB 3.37Å; L72-E76 VanDerWaalsContact O-CG 3.31Å; L72-E76 WeakPolarHBondContact O-CG 3.34Å; L72-E76 PolarHBondContact O-N 2.99Å; E76-L79 PolarHBondContact O-N 3.35Å; E76-R80 WeakPolarHBondContact O-CG 3.44Å; E76-R80 PolarHBondContact O-N 2.98Å; E76-R80 IonicContact OE2-NH1 3.98Å |
| 77 | G | 98.6 | Very high | 98.5 | Very high | 17 Ų | 17 | 98.8 Ų | 98.8 | 18% | 0.175 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -58.5 | -54.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A73 E74 T75 L79 R80 D81 | A73-G77 PolarHBondContact O-N 3.05Å; E74-G77 WeakPolarHBondContact O-CA 3.38Å; E74-G77 PolarHBondContact O-N 3.15Å; E74-G77 VanDerWaalsContact O-N 3.13Å; T75-G77 VanDerWaalsContact C-N 3.28Å; T75-G77 PolarHBondContact O-N 3.11Å; G77-L79 VanDerWaalsContact C-N 3.31Å; G77-L79 PolarHBondContact O-N 2.89Å; G77-R80 PolarHBondContact O-N 2.92Å; G77-R80 VanDerWaalsContact O-N 3.15Å; G77-D81 PolarHBondContact O-N 2.89Å |
| 78 | M | 98.4 | Very high | 98.5 | Very high | 110 Ų | 110 | 97.9 Ų | 97.9 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 178.1 | -70.3 | -171.7 | -71.4 | 0 | 0 | 112.6 | E74 T75 D81 L82 | E74-M78 PolarHBondContact O-N 3.49Å; T75-M78 HydrophobicContact CG2-CE 3.79Å; T75-M78 PolarHBondContact O-N 2.92Å; M78-D81 PolarHBondContact O-N 3.39Å; M78-L82 WeakPolarHBondContact O-CB 3.35Å; M78-L82 WeakPolarHBondContact O-CG 3.35Å; M78-L82 PolarHBondContact O-N 3.46Å |
| 79 | L | 98.6 | Very high | 98.5 | Very high | 114 Ų | 114 | 96 Ų | 96 | 60% | 0.597 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.8 | -40.5 | 176.8 | -76.5 | 172.5 | 0 | 0 | 0 | 112.3 | T75 E76 G77 L82 Q83 | T75-L79 WeakPolarHBondContact O-CB 3.49Å; T75-L79 WeakPolarHBondContact O-CG 3.42Å; T75-L79 PolarHBondContact O-N 3.34Å; E76-L79 PolarHBondContact O-N 3.35Å; G77-L79 VanDerWaalsContact C-N 3.31Å; G77-L79 PolarHBondContact O-N 2.89Å; L79-L82 PolarHBondContact O-N 3.46Å; L79-Q83 WeakPolarHBondContact O-CB 3.37Å; L79-Q83 PolarHBondContact O-N 3.13Å |
| 80 | R | 98.7 | Very high | 98.4 | Very high | 144 Ų | 144 | 93.1 Ų | 93.1 | 54% | 0.543 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 174.9 | -74.7 | -175.4 | -66.4 | -102.4 | -0.1 | 111.6 | E76 G77 Q83 K84 | E76-R80 WeakPolarHBondContact O-CG 3.44Å; E76-R80 PolarHBondContact O-N 2.98Å; E76-R80 IonicContact OE2-NH1 3.98Å; G77-R80 PolarHBondContact O-N 2.92Å; G77-R80 VanDerWaalsContact O-N 3.15Å; R80-Q83 PolarHBondContact O-N 2.89Å; R80-K84 WeakPolarHBondContact O-CB 3.38Å; R80-K84 PolarHBondContact O-N 3.37Å |
| 81 | D | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 96.4 Ų | 96.4 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 178 | -68.5 | -23.1 | 0 | 0 | 0 | 111.7 | G77 M78 K84 S85 | G77-D81 PolarHBondContact O-N 2.89Å; M78-D81 PolarHBondContact O-N 3.39Å; D81-K84 PolarHBondContact O-N 3.27Å; D81-S85 WeakPolarHBondContact O-CB 3.39Å; D81-S85 PolarHBondContact O-N 2.96Å |
| 82 | L | 98.6 | Very high | 98.4 | Very high | 108 Ų | 108 | 96.3 Ų | 96.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -46.5 | 174.7 | -78 | 169.8 | 0 | 0 | 0 | 111.9 | M78 L79 K84 S85 V86 | M78-L82 WeakPolarHBondContact O-CB 3.35Å; M78-L82 WeakPolarHBondContact O-CG 3.35Å; M78-L82 PolarHBondContact O-N 3.46Å; L79-L82 PolarHBondContact O-N 3.46Å; L82-K84 VanDerWaalsContact C-N 3.32Å; L82-K84 PolarHBondContact O-N 3.26Å; L82-S85 PolarHBondContact O-N 3.44Å; L82-V86 WeakPolarHBondContact O-CG2 3.4Å; L82-V86 PolarHBondContact O-N 2.7Å |
| 83 | Q | 98.5 | Very high | 98.5 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.3 | -48.8 | 176.7 | 179.6 | -178.9 | -14.4 | 0 | 0 | 110.5 | L79 R80 S85 V86 E87 | L79-Q83 WeakPolarHBondContact O-CB 3.37Å; L79-Q83 PolarHBondContact O-N 3.13Å; R80-Q83 PolarHBondContact O-N 2.89Å; Q83-S85 PolarHBondContact O-N 2.87Å; Q83-V86 PolarHBondContact O-N 3.29Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.41Å; Q83-E87 PolarHBondContact NE2-OE1 3.42Å; Q83-E87 WeakPolarHBondContact O-CG 3.4Å; Q83-E87 PolarHBondContact O-N 2.97Å |
| 84 | K | 98.6 | Very high | 98.5 | Very high | 117 Ų | 117 | 103.1 Ų | 103.1 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 177.6 | -179.3 | 179.1 | 169.5 | -174.9 | 0 | 111.9 | R80 D81 L82 V86 E87 E88 | R80-K84 WeakPolarHBondContact O-CB 3.38Å; R80-K84 PolarHBondContact O-N 3.37Å; D81-K84 PolarHBondContact O-N 3.27Å; L82-K84 VanDerWaalsContact C-N 3.32Å; L82-K84 PolarHBondContact O-N 3.26Å; K84-V86 VanDerWaalsContact C-N 3.31Å; K84-V86 PolarHBondContact O-N 3.01Å; K84-E87 PolarHBondContact O-N 3.46Å; K84-E88 WeakPolarHBondContact CE-OE1 3.49Å; K84-E88 HydrophobicContact CG-CG 4.47Å; K84-E88 IonicContact NZ-OE1 3.72Å; K84-E88 WeakPolarHBondContact O-CB 3.25Å; K84-E88 WeakPolarHBondContact O-CG 3.38Å; K84-E88 PolarHBondContact O-N 2.89Å |
| 85 | S | 98.4 | Very high | 98.5 | Very high | 64 Ų | 64 | 100.8 Ų | 100.8 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | D81 L82 Q83 E89 | D81-S85 WeakPolarHBondContact O-CB 3.39Å; D81-S85 PolarHBondContact O-N 2.96Å; L82-S85 PolarHBondContact O-N 3.44Å; Q83-S85 PolarHBondContact O-N 2.87Å; S85-E89 WeakPolarHBondContact O-CB 3.28Å; S85-E89 PolarHBondContact O-N 3.02Å |
| 86 | V | 98.6 | Very high | 98.5 | Very high | 91 Ų | 91 | 103.6 Ų | 103.6 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.1 | -43.6 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L82 Q83 K84 E88 E89 E90 | L82-V86 WeakPolarHBondContact O-CG2 3.4Å; L82-V86 PolarHBondContact O-N 2.7Å; Q83-V86 PolarHBondContact O-N 3.29Å; K84-V86 VanDerWaalsContact C-N 3.31Å; K84-V86 PolarHBondContact O-N 3.01Å; V86-E88 VanDerWaalsContact C-N 3.35Å; V86-E88 PolarHBondContact O-N 2.97Å; V86-E89 PolarHBondContact O-N 3.31Å; V86-E90 WeakPolarHBondContact O-CB 2.86Å; V86-E90 PolarHBondContact O-N 2.83Å |
| 87 | E | 98.5 | Very high | 98.5 | Very high | 87 Ų | 87 | 102.1 Ų | 102.1 | 41% | 0.407 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 176.9 | -71.8 | 172.3 | -169.5 | 0 | 0 | 111.8 | Q83 K84 Q91 | Q83-E87 WeakPolarHBondContact CG-OE1 3.41Å; Q83-E87 PolarHBondContact NE2-OE1 3.42Å; Q83-E87 WeakPolarHBondContact O-CG 3.4Å; Q83-E87 PolarHBondContact O-N 2.97Å; K84-E87 PolarHBondContact O-N 3.46Å; E87-Q91 VanDerWaalsContact O-CG 3.28Å; E87-Q91 WeakPolarHBondContact O-CG 3.35Å; E87-Q91 PolarHBondContact O-N 3.03Å; E87-Q91 VanDerWaalsContact O-N 3.08Å |
| 88 | E | 98.4 | Very high | 98.5 | Very high | 100 Ų | 100 | 102.5 Ų | 102.5 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 174.8 | -73 | 175.1 | 175.8 | 0 | 0 | 111.5 | K84 V86 Q91 V92 | K84-E88 WeakPolarHBondContact CE-OE1 3.49Å; K84-E88 HydrophobicContact CG-CG 4.47Å; K84-E88 IonicContact NZ-OE1 3.72Å; K84-E88 WeakPolarHBondContact O-CB 3.25Å; K84-E88 WeakPolarHBondContact O-CG 3.38Å; K84-E88 PolarHBondContact O-N 2.89Å; V86-E88 VanDerWaalsContact C-N 3.35Å; V86-E88 PolarHBondContact O-N 2.97Å; E88-Q91 PolarHBondContact O-N 3.49Å; E88-V92 WeakPolarHBondContact O-CG2 3.45Å; E88-V92 PolarHBondContact O-N 3.43Å |
| 89 | E | 98.3 | Very high | 98.5 | Very high | 105 Ų | 105 | 100.1 Ų | 100.1 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 178 | -154.6 | -169.5 | 154.3 | 0 | 0 | 111.9 | S85 V86 Q91 V92 W93 | S85-E89 WeakPolarHBondContact O-CB 3.28Å; S85-E89 PolarHBondContact O-N 3.02Å; V86-E89 PolarHBondContact O-N 3.31Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.94Å; E89-V92 PolarHBondContact O-N 3.08Å; E89-W93 PolarHBondContact O-N 3.35Å; E89-W93 PolarHBondContact OE1-NE1 3.48Å |
| 90 | E | 98.1 | Very high | 98.4 | Very high | 101 Ų | 101 | 97.7 Ų | 97.7 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 174.6 | -168.4 | -161 | 141.8 | 0 | 0 | 111.1 | V86 V92 W93 R94 | V86-E90 WeakPolarHBondContact O-CB 2.86Å; V86-E90 PolarHBondContact O-N 2.83Å; E90-V92 PolarHBondContact O-N 2.86Å; E90-W93 PolarHBondContact O-N 2.88Å; E90-R94 VanDerWaalsContact O-CB 3.25Å; E90-R94 WeakPolarHBondContact O-CB 3.5Å; E90-R94 PolarHBondContact O-N 3.22Å; E90-R94 IonicContact OE1-CZ 3.48Å; E90-R94 IonicContact OE1-NE 2.61Å; E90-R94 IonicContact OE1-NH2 3.65Å; E90-R94 PolarHBondContact OE1-NH2 3.29Å |
| 91 | Q | 98.4 | Very high | 98.3 | Very high | 126 Ų | 126 | 96.8 Ų | 96.8 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 177 | -71.9 | 172.3 | 35.5 | 0 | 0 | 111.7 | E87 E88 E89 R94 A95 | E87-Q91 VanDerWaalsContact O-CG 3.28Å; E87-Q91 WeakPolarHBondContact O-CG 3.35Å; E87-Q91 PolarHBondContact O-N 3.03Å; E87-Q91 VanDerWaalsContact O-N 3.08Å; E88-Q91 PolarHBondContact O-N 3.49Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.94Å; Q91-R94 PolarHBondContact O-N 3.41Å; Q91-A95 WeakPolarHBondContact O-CB 3.35Å; Q91-A95 PolarHBondContact O-N 2.99Å |
| 92 | V | 98.8 | Very high | 98.3 | Very high | 72 Ų | 72 | 97.5 Ų | 97.5 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | E88 E89 E90 A95 K96 | E88-V92 WeakPolarHBondContact O-CG2 3.45Å; E88-V92 PolarHBondContact O-N 3.43Å; E89-V92 PolarHBondContact O-N 3.08Å; E90-V92 PolarHBondContact O-N 2.86Å; V92-A95 PolarHBondContact O-N 2.86Å; V92-K96 HydrophobicContact CG1-CD 4.13Å; V92-K96 WeakPolarHBondContact O-CG 3.39Å; V92-K96 PolarHBondContact O-N 3.47Å |
| 93 | W | 98.6 | Very high | 98.3 | Very high | 133 Ų | 133 | 97.6 Ų | 97.6 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.9 | -78.7 | 115.4 | 0 | 0 | 0 | 112.1 | E89 E90 A95 K96 V97 | E89-W93 PolarHBondContact O-N 3.35Å; E89-W93 PolarHBondContact OE1-NE1 3.48Å; E90-W93 PolarHBondContact O-N 2.88Å; W93-A95 VanDerWaalsContact C-N 3.33Å; W93-A95 PolarHBondContact O-N 3.18Å; W93-K96 HydrophobicContact CE3-CD 3.96Å; W93-K96 HydrophobicContact CZ3-CD 4.11Å; W93-K96 PolarHBondContact O-N 2.86Å; W93-V97 WeakPolarHBondContact O-CB 3.48Å; W93-V97 VanDerWaalsContact O-CG2 3.31Å; W93-V97 WeakPolarHBondContact O-CG2 3.31Å; W93-V97 PolarHBondContact O-N 2.95Å |
| 94 | R | 98.8 | Very high | 98.3 | Very high | 171 Ų | 171 | 96.3 Ų | 96.3 | 65% | 0.645 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 174.6 | -171 | -176.8 | -66.6 | -146.9 | 2.2 | 111.5 | E90 Q91 V97 G98 | E90-R94 VanDerWaalsContact O-CB 3.25Å; E90-R94 WeakPolarHBondContact O-CB 3.5Å; E90-R94 PolarHBondContact O-N 3.22Å; E90-R94 IonicContact OE1-CZ 3.48Å; E90-R94 IonicContact OE1-NE 2.61Å; E90-R94 IonicContact OE1-NH2 3.65Å; E90-R94 PolarHBondContact OE1-NH2 3.29Å; Q91-R94 PolarHBondContact O-N 3.41Å; R94-V97 PolarHBondContact O-N 3.44Å; R94-G98 PolarHBondContact O-N 3.34Å |
| 95 | A | 98.4 | Very high | 98.3 | Very high | 67 Ų | 67 | 96.1 Ų | 96.1 | 55% | 0.554 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q91 V92 W93 G98 A99 | Q91-A95 WeakPolarHBondContact O-CB 3.35Å; Q91-A95 PolarHBondContact O-N 2.99Å; V92-A95 PolarHBondContact O-N 2.86Å; W93-A95 VanDerWaalsContact C-N 3.33Å; W93-A95 PolarHBondContact O-N 3.18Å; A95-G98 PolarHBondContact O-N 2.87Å; A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 3.42Å |
| 96 | K | 98.5 | Very high | 98.3 | Very high | 111 Ų | 111 | 98.5 Ų | 98.5 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.6 | -74.6 | 173.5 | -179.6 | 173 | 0 | 112.3 | V92 W93 A99 A100 | V92-K96 HydrophobicContact CG1-CD 4.13Å; V92-K96 WeakPolarHBondContact O-CG 3.39Å; V92-K96 PolarHBondContact O-N 3.47Å; W93-K96 HydrophobicContact CE3-CD 3.96Å; W93-K96 HydrophobicContact CZ3-CD 4.11Å; W93-K96 PolarHBondContact O-N 2.86Å; K96-A99 PolarHBondContact O-N 3.23Å; K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 2.9Å |
| 97 | V | 98.4 | Very high | 98.2 | Very high | 75 Ų | 75 | 97 Ų | 97 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 176.9 | 170 | 0 | 0 | 0 | 0 | 110.2 | W93 R94 A99 A100 E101 | W93-V97 WeakPolarHBondContact O-CB 3.48Å; W93-V97 VanDerWaalsContact O-CG2 3.31Å; W93-V97 WeakPolarHBondContact O-CG2 3.31Å; W93-V97 PolarHBondContact O-N 2.95Å; R94-V97 PolarHBondContact O-N 3.44Å; V97-A99 PolarHBondContact O-N 3.35Å; V97-A100 PolarHBondContact O-N 2.96Å; V97-E101 HydrophobicContact CG1-CG 4.33Å; V97-E101 WeakPolarHBondContact O-CB 3.3Å; V97-E101 WeakPolarHBondContact O-CG 3.49Å; V97-E101 PolarHBondContact O-N 3.41Å |
| 98 | G | 98.4 | Very high | 98.2 | Very high | 25 Ų | 25 | 99.6 Ų | 99.6 | 26% | 0.258 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R94 A95 A100 E101 E102 | R94-G98 PolarHBondContact O-N 3.34Å; A95-G98 PolarHBondContact O-N 2.87Å; G98-A100 VanDerWaalsContact C-N 3.34Å; G98-A100 PolarHBondContact O-N 3.4Å; G98-E101 PolarHBondContact O-N 3.27Å; G98-E102 WeakPolarHBondContact O-CG 3.41Å; G98-E102 PolarHBondContact O-N 3.43Å |
| 99 | A | 98.3 | Very high | 98.2 | Very high | 59 Ų | 59 | 99 Ų | 99 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A95 K96 V97 E103 | A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 3.42Å; K96-A99 PolarHBondContact O-N 3.23Å; V97-A99 PolarHBondContact O-N 3.35Å; A99-E103 PolarHBondContact O-N 3.4Å; A99-E103 VanDerWaalsContact O-N 3.12Å |
| 100 | A | 96.1 | Very high | 98.2 | Very high | 64 Ų | 64 | 97.7 Ų | 97.7 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K96 V97 G98 E103 L104 | K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 2.9Å; V97-A100 PolarHBondContact O-N 2.96Å; G98-A100 VanDerWaalsContact C-N 3.34Å; G98-A100 PolarHBondContact O-N 3.4Å; A100-E103 PolarHBondContact O-N 3.42Å; A100-L104 WeakPolarHBondContact O-CB 3.46Å; A100-L104 PolarHBondContact O-N 3.24Å |
| 101 | E | 97.9 | Very high | 98.2 | Very high | 125 Ų | 125 | 96 Ų | 96 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -42.6 | 175.5 | -75.7 | 178.5 | 169.8 | 0 | 0 | 112.1 | V97 G98 E103 L104 Q105 | V97-E101 HydrophobicContact CG1-CG 4.33Å; V97-E101 WeakPolarHBondContact O-CB 3.3Å; V97-E101 WeakPolarHBondContact O-CG 3.49Å; V97-E101 PolarHBondContact O-N 3.41Å; G98-E101 PolarHBondContact O-N 3.27Å; E101-E103 VanDerWaalsContact C-N 3.31Å; E101-E103 PolarHBondContact O-N 3.12Å; E101-L104 PolarHBondContact O-N 2.89Å; E101-Q105 WeakPolarHBondContact O-CB 3.4Å; E101-Q105 PolarHBondContact O-N 2.93Å |
| 102 | E | 98.1 | Very high | 98.2 | Very high | 128 Ų | 128 | 96.2 Ų | 96.2 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -42.2 | 173.9 | -75.6 | -178.2 | -176 | 0 | 0 | 111.6 | G98 Q105 K106 | G98-E102 WeakPolarHBondContact O-CG 3.41Å; G98-E102 PolarHBondContact O-N 3.43Å; E102-Q105 WeakPolarHBondContact O-CB 3.46Å; E102-Q105 PolarHBondContact O-N 3.26Å; E102-K106 WeakPolarHBondContact O-CG 3.36Å; E102-K106 PolarHBondContact O-N 2.98Å |
| 103 | E | 97.8 | Very high | 98.1 | Very high | 110 Ų | 110 | 97.8 Ų | 97.8 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73 | -36.4 | -179.8 | -158.7 | 59.2 | -174 | 0 | 0 | 112.8 | A99 A100 E101 Q105 K106 S107 | A99-E103 PolarHBondContact O-N 3.4Å; A99-E103 VanDerWaalsContact O-N 3.12Å; A100-E103 PolarHBondContact O-N 3.42Å; E101-E103 VanDerWaalsContact C-N 3.31Å; E101-E103 PolarHBondContact O-N 3.12Å; E103-Q105 VanDerWaalsContact C-N 3.26Å; E103-Q105 PolarHBondContact O-N 3.47Å; E103-K106 PolarHBondContact O-N 2.96Å; E103-K106 VanDerWaalsContact OE2-CD 3.31Å; E103-K106 WeakPolarHBondContact OE2-CD 3.49Å; E103-K106 WeakPolarHBondContact OE2-CE 3.37Å; E103-K106 IonicContact OE2-NZ 3.64Å; E103-K106 PolarHBondContact OE2-NZ 3.44Å; E103-S107 WeakPolarHBondContact O-CB 3.26Å; E103-S107 PolarHBondContact O-N 3.39Å |
| 104 | L | 98.1 | Very high | 98.1 | Very high | 91 Ų | 91 | 96.4 Ų | 96.4 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 168.4 | 178.9 | 63.2 | 0 | 0 | 0 | 110.9 | A100 E101 S107 R108 | A100-L104 WeakPolarHBondContact O-CB 3.46Å; A100-L104 PolarHBondContact O-N 3.24Å; E101-L104 PolarHBondContact O-N 2.89Å; L104-S107 PolarHBondContact O-N 3.45Å; L104-R108 WeakPolarHBondContact O-CB 3.48Å; L104-R108 VanDerWaalsContact O-CG 3.3Å; L104-R108 WeakPolarHBondContact O-CG 3.46Å; L104-R108 PolarHBondContact O-N 2.95Å |
| 105 | Q | 98.5 | Very high | 98.1 | Very high | 113 Ų | 113 | 94 Ų | 94 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 178.6 | -173.8 | 64.2 | 1.5 | 0 | 0 | 112 | E101 E102 E103 R108 V109 | E101-Q105 WeakPolarHBondContact O-CB 3.4Å; E101-Q105 PolarHBondContact O-N 2.93Å; E102-Q105 WeakPolarHBondContact O-CB 3.46Å; E102-Q105 PolarHBondContact O-N 3.26Å; E103-Q105 VanDerWaalsContact C-N 3.26Å; E103-Q105 PolarHBondContact O-N 3.47Å; Q105-R108 PolarHBondContact O-N 3.03Å; Q105-V109 WeakPolarHBondContact O-CG2 3.44Å; Q105-V109 PolarHBondContact O-N 2.89Å; Q105-V109 VanDerWaalsContact O-N 3.08Å |
| 106 | K | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 97 Ų | 97 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 173.2 | -69.4 | -177.9 | -145.9 | 144.6 | 0 | 111.4 | E102 E103 R108 V109 T110 | E102-K106 WeakPolarHBondContact O-CG 3.36Å; E102-K106 PolarHBondContact O-N 2.98Å; E103-K106 PolarHBondContact O-N 2.96Å; E103-K106 VanDerWaalsContact OE2-CD 3.31Å; E103-K106 WeakPolarHBondContact OE2-CD 3.49Å; E103-K106 WeakPolarHBondContact OE2-CE 3.37Å; E103-K106 IonicContact OE2-NZ 3.64Å; E103-K106 PolarHBondContact OE2-NZ 3.44Å; K106-R108 VanDerWaalsContact C-N 3.32Å; K106-R108 PolarHBondContact O-N 3.12Å; K106-V109 PolarHBondContact O-N 3.09Å; K106-V109 VanDerWaalsContact O-N 3.17Å; K106-T110 WeakPolarHBondContact O-CG2 3.45Å; K106-T110 PolarHBondContact O-N 3.33Å |
| 107 | S | 97.3 | Very high | 98.1 | Very high | 59 Ų | 59 | 94.5 Ų | 94.5 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 112.3 | E103 L104 V109 T110 V111 | E103-S107 WeakPolarHBondContact O-CB 3.26Å; E103-S107 PolarHBondContact O-N 3.39Å; L104-S107 PolarHBondContact O-N 3.45Å; S107-V109 VanDerWaalsContact C-N 3.33Å; S107-V109 PolarHBondContact O-N 3.47Å; S107-T110 WeakPolarHBondContact CA-OG1 3.48Å; S107-T110 PolarHBondContact O-N 3.06Å; S107-T110 PolarHBondContact O-OG1 3.43Å; S107-V111 WeakPolarHBondContact O-CB 3.45Å; S107-V111 VanDerWaalsContact O-CG2 3.26Å; S107-V111 WeakPolarHBondContact O-CG2 3.39Å; S107-V111 PolarHBondContact O-N 2.88Å |
| 108 | R | 98.2 | Very high | 98.1 | Very high | 142 Ų | 142 | 95.3 Ų | 95.3 | 54% | 0.536 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 175.2 | -77.3 | 174.6 | 179.7 | -147.5 | -0 | 112.5 | L104 Q105 K106 K112 | L104-R108 WeakPolarHBondContact O-CB 3.48Å; L104-R108 VanDerWaalsContact O-CG 3.3Å; L104-R108 WeakPolarHBondContact O-CG 3.46Å; L104-R108 PolarHBondContact O-N 2.95Å; Q105-R108 PolarHBondContact O-N 3.03Å; K106-R108 VanDerWaalsContact C-N 3.32Å; K106-R108 PolarHBondContact O-N 3.12Å; R108-K112 WeakPolarHBondContact O-CG 3.38Å; R108-K112 PolarHBondContact O-N 2.89Å; R108-K112 VanDerWaalsContact O-N 3.07Å |
| 109 | V | 98.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 99.7 Ų | 99.7 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | Q105 K106 S107 K112 H113 | Q105-V109 WeakPolarHBondContact O-CG2 3.44Å; Q105-V109 PolarHBondContact O-N 2.89Å; Q105-V109 VanDerWaalsContact O-N 3.08Å; K106-V109 PolarHBondContact O-N 3.09Å; K106-V109 VanDerWaalsContact O-N 3.17Å; S107-V109 VanDerWaalsContact C-N 3.33Å; S107-V109 PolarHBondContact O-N 3.47Å; V109-K112 PolarHBondContact O-N 3.34Å; V109-H113 PolarHBondContact O-N 3.12Å |
| 110 | T | 98.1 | Very high | 98.1 | Very high | 79 Ų | 79 | 101.9 Ų | 101.9 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 177.9 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | K106 S107 H113 L114 | K106-T110 WeakPolarHBondContact O-CG2 3.45Å; K106-T110 PolarHBondContact O-N 3.33Å; S107-T110 WeakPolarHBondContact CA-OG1 3.48Å; S107-T110 PolarHBondContact O-N 3.06Å; S107-T110 PolarHBondContact O-OG1 3.43Å; T110-H113 PolarHBondContact O-N 3.32Å; T110-L114 WeakPolarHBondContact O-CG 3.5Å; T110-L114 PolarHBondContact O-N 3.41Å |
| 111 | V | 98.1 | Very high | 98.2 | Very high | 64 Ų | 64 | 103.5 Ų | 103.5 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 174.7 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | S107 H113 L114 E115 | S107-V111 WeakPolarHBondContact O-CB 3.45Å; S107-V111 VanDerWaalsContact O-CG2 3.26Å; S107-V111 WeakPolarHBondContact O-CG2 3.39Å; S107-V111 PolarHBondContact O-N 2.88Å; V111-H113 VanDerWaalsContact C-N 3.28Å; V111-H113 PolarHBondContact O-N 2.91Å; V111-L114 PolarHBondContact O-N 3.41Å; V111-L114 VanDerWaalsContact O-N 3.12Å; V111-E115 HydrophobicContact CG1-CG 4.38Å; V111-E115 WeakPolarHBondContact O-CG 3.31Å; V111-E115 PolarHBondContact O-N 3.29Å |
| 112 | K | 98.4 | Very high | 98.2 | Very high | 132 Ų | 132 | 102.3 Ų | 102.3 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.5 | -42.2 | 176.2 | -75.4 | -179.4 | 177.3 | -171.7 | 0 | 112.5 | R108 V109 L114 E115 E116 | R108-K112 WeakPolarHBondContact O-CG 3.38Å; R108-K112 PolarHBondContact O-N 2.89Å; R108-K112 VanDerWaalsContact O-N 3.07Å; V109-K112 PolarHBondContact O-N 3.34Å; K112-L114 VanDerWaalsContact C-N 3.35Å; K112-L114 PolarHBondContact O-N 3.45Å; K112-E115 WeakPolarHBondContact O-CB 3.44Å; K112-E115 PolarHBondContact O-N 3.49Å; K112-E116 WeakPolarHBondContact O-CG 3.48Å; K112-E116 PolarHBondContact O-N 2.91Å |
| 113 | H | 98.3 | Very high | 98.2 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.4 | -176.7 | 50.6 | 0 | 0 | 0 | 112.4 | V109 T110 V111 E116 I117 | V109-H113 PolarHBondContact O-N 3.12Å; T110-H113 PolarHBondContact O-N 3.32Å; V111-H113 VanDerWaalsContact C-N 3.28Å; V111-H113 PolarHBondContact O-N 2.91Å; H113-E116 IonicContact ND1-OE2 3.5Å; H113-E116 PolarHBondContact O-N 3.07Å; H113-I117 WeakPolarHBondContact O-CG1 3.43Å; H113-I117 PolarHBondContact O-N 3.04Å |
| 114 | L | 98.1 | Very high | 98.2 | Very high | 104 Ų | 104 | 97 Ų | 97 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 174.9 | -70 | 173.4 | 0 | 0 | 0 | 111.8 | T110 V111 K112 I117 V118 | T110-L114 WeakPolarHBondContact O-CG 3.5Å; T110-L114 PolarHBondContact O-N 3.41Å; V111-L114 PolarHBondContact O-N 3.41Å; V111-L114 VanDerWaalsContact O-N 3.12Å; K112-L114 VanDerWaalsContact C-N 3.35Å; K112-L114 PolarHBondContact O-N 3.45Å; L114-I117 PolarHBondContact O-N 3Å; L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.35Å; L114-V118 PolarHBondContact O-N 2.99Å |
| 115 | E | 98.1 | Very high | 98.2 | Very high | 121 Ų | 121 | 97.5 Ų | 97.5 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 173.8 | -71.2 | 169.7 | 166.7 | 0 | 0 | 111.4 | V111 K112 I117 V118 E119 | V111-E115 HydrophobicContact CG1-CG 4.38Å; V111-E115 WeakPolarHBondContact O-CG 3.31Å; V111-E115 PolarHBondContact O-N 3.29Å; K112-E115 WeakPolarHBondContact O-CB 3.44Å; K112-E115 PolarHBondContact O-N 3.49Å; E115-I117 PolarHBondContact O-N 3.39Å; E115-V118 PolarHBondContact O-N 3.17Å; E115-E119 PolarHBondContact O-N 3.23Å |
| 116 | E | 98.4 | Very high | 98.2 | Very high | 130 Ų | 130 | 97 Ų | 97 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 175.1 | -71.1 | 167.8 | -176.6 | 0 | 0 | 112.4 | K112 H113 E119 K120 | K112-E116 WeakPolarHBondContact O-CG 3.48Å; K112-E116 PolarHBondContact O-N 2.91Å; H113-E116 IonicContact ND1-OE2 3.5Å; H113-E116 PolarHBondContact O-N 3.07Å; E116-E119 PolarHBondContact O-N 3.28Å; E116-K120 PolarHBondContact O-N 2.99Å |
| 117 | I | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 94.5 Ų | 94.5 | 30% | 0.297 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 176.2 | -69.4 | 167.2 | 0 | 0 | 0 | 110.7 | H113 L114 E115 E119 K120 L121 | H113-I117 WeakPolarHBondContact O-CG1 3.43Å; H113-I117 PolarHBondContact O-N 3.04Å; L114-I117 PolarHBondContact O-N 3Å; E115-I117 PolarHBondContact O-N 3.39Å; I117-E119 VanDerWaalsContact C-N 3.34Å; I117-E119 PolarHBondContact O-N 3.37Å; I117-K120 PolarHBondContact O-N 3.18Å; I117-L121 HydrophobicContact CG2-CD1 3.88Å; I117-L121 HydrophobicContact CG2-CG 4.25Å; I117-L121 WeakPolarHBondContact O-CB 3.45Å; I117-L121 WeakPolarHBondContact O-CG 3.28Å; I117-L121 PolarHBondContact O-N 3.45Å |
| 118 | V | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 94.9 Ų | 94.9 | 56% | 0.564 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 178.4 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | L114 E115 K120 L121 K122 | L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.35Å; L114-V118 PolarHBondContact O-N 2.99Å; E115-V118 PolarHBondContact O-N 3.17Å; V118-K120 PolarHBondContact O-N 3.08Å; V118-L121 PolarHBondContact O-N 2.75Å; V118-K122 WeakPolarHBondContact O-CB 3.5Å; V118-K122 PolarHBondContact O-N 3.23Å |
| 119 | E | 98.4 | Very high | 98.2 | Very high | 116 Ų | 116 | 90.6 Ų | 90.6 | 54% | 0.542 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 177.7 | -165.6 | 60.8 | -149.3 | 0 | 0 | 111.6 | E115 E116 I117 K122 G123 | E115-E119 PolarHBondContact O-N 3.23Å; E116-E119 PolarHBondContact O-N 3.28Å; I117-E119 VanDerWaalsContact C-N 3.34Å; I117-E119 PolarHBondContact O-N 3.37Å; E119-K122 WeakPolarHBondContact O-CB 3.3Å; E119-K122 PolarHBondContact O-N 3.34Å; E119-K122 IonicContact OE1-NZ 3.68Å; E119-G123 PolarHBondContact O-N 3.14Å; E119-G123 VanDerWaalsContact O-N 3.07Å |
| 120 | K | 98.5 | Very high | 98.2 | Very high | 106 Ų | 106 | 92 Ų | 92 | 46% | 0.461 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 174 | -177.1 | 174.7 | -174.1 | -75 | 0 | 112.1 | E116 I117 V118 K122 G123 E124 | E116-K120 PolarHBondContact O-N 2.99Å; I117-K120 PolarHBondContact O-N 3.18Å; V118-K120 PolarHBondContact O-N 3.08Å; K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.32Å; K120-G123 PolarHBondContact O-N 2.96Å; K120-E124 IonicContact NZ-OE1 3.02Å; K120-E124 PolarHBondContact NZ-OE1 3.04Å; K120-E124 PolarHBondContact O-N 3.26Å |
| 121 | L | 98.1 | Very high | 98.2 | Very high | 97 Ų | 97 | 92.4 Ų | 92.4 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 178.6 | -72.9 | 174.7 | 0 | 0 | 0 | 112.1 | I117 V118 E124 L125 | I117-L121 HydrophobicContact CG2-CD1 3.88Å; I117-L121 HydrophobicContact CG2-CG 4.25Å; I117-L121 WeakPolarHBondContact O-CB 3.45Å; I117-L121 WeakPolarHBondContact O-CG 3.28Å; I117-L121 PolarHBondContact O-N 3.45Å; V118-L121 PolarHBondContact O-N 2.75Å; L121-E124 PolarHBondContact O-N 3Å; L121-L125 WeakPolarHBondContact O-CB 3.4Å; L121-L125 PolarHBondContact O-N 3Å |
| 122 | K | 98.5 | Very high | 98.2 | Very high | 100 Ų | 100 | 95.9 Ų | 95.9 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 174.2 | -176 | -175.9 | 165.4 | -152.3 | 0 | 111.4 | V118 E119 K120 L125 E126 | V118-K122 WeakPolarHBondContact O-CB 3.5Å; V118-K122 PolarHBondContact O-N 3.23Å; E119-K122 WeakPolarHBondContact O-CB 3.3Å; E119-K122 PolarHBondContact O-N 3.34Å; E119-K122 IonicContact OE1-NZ 3.68Å; K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.32Å; K122-L125 WeakPolarHBondContact O-CB 3.35Å; K122-L125 PolarHBondContact O-N 2.91Å; K122-E126 WeakPolarHBondContact CE-OE1 3.37Å; K122-E126 WeakPolarHBondContact O-CG 3.47Å; K122-E126 PolarHBondContact O-N 3.48Å |
| 123 | G | 98.1 | Very high | 98.2 | Very high | 35 Ų | 35 | 96.1 Ų | 96.1 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E119 K120 L125 E126 S127 | E119-G123 PolarHBondContact O-N 3.14Å; E119-G123 VanDerWaalsContact O-N 3.07Å; K120-G123 PolarHBondContact O-N 2.96Å; G123-L125 VanDerWaalsContact C-N 3.34Å; G123-L125 PolarHBondContact O-N 2.97Å; G123-E126 PolarHBondContact O-N 3.43Å; G123-S127 PolarHBondContact O-N 2.99Å |
| 124 | E | 98.1 | Very high | 98.2 | Very high | 92 Ų | 92 | 97.1 Ų | 97.1 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 174.3 | -72.3 | 174.2 | -167.9 | 0 | 0 | 112.2 | K120 L121 S127 S128 | K120-E124 IonicContact NZ-OE1 3.02Å; K120-E124 PolarHBondContact NZ-OE1 3.04Å; K120-E124 PolarHBondContact O-N 3.26Å; L121-E124 PolarHBondContact O-N 3Å; E124-S127 PolarHBondContact O-N 2.92Å; E124-S128 WeakPolarHBondContact O-CB 3.36Å; E124-S128 PolarHBondContact O-N 3.29Å |
| 125 | L | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 95.2 Ų | 95.2 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 175.3 | -178.9 | 64.1 | 0 | 0 | 0 | 111.7 | L121 K122 G123 S127 S128 D129 | L121-L125 WeakPolarHBondContact O-CB 3.4Å; L121-L125 PolarHBondContact O-N 3Å; K122-L125 WeakPolarHBondContact O-CB 3.35Å; K122-L125 PolarHBondContact O-N 2.91Å; G123-L125 VanDerWaalsContact C-N 3.34Å; G123-L125 PolarHBondContact O-N 2.97Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.45Å; L125-S128 WeakPolarHBondContact O-CB 3.39Å; L125-S128 PolarHBondContact O-N 3.19Å; L125-D129 VanDerWaalsContact O-CG 3.3Å; L125-D129 PolarHBondContact O-N 3.3Å |
| 126 | E | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 92.9 Ų | 92.9 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.7 | -71.2 | 171.5 | -171.3 | 0 | 0 | 111.7 | K122 G123 D129 Q130 | K122-E126 WeakPolarHBondContact CE-OE1 3.37Å; K122-E126 WeakPolarHBondContact O-CG 3.47Å; K122-E126 PolarHBondContact O-N 3.48Å; G123-E126 PolarHBondContact O-N 3.43Å; E126-D129 PolarHBondContact O-N 3.07Å; E126-Q130 WeakPolarHBondContact O-CG 3.4Å; E126-Q130 PolarHBondContact O-N 3.39Å; E126-Q130 VanDerWaalsContact O-N 3.11Å |
| 127 | S | 97.9 | Very high | 98.2 | Very high | 64 Ų | 64 | 91.8 Ų | 91.8 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 173.6 | 179 | 0 | 0 | 0 | 0 | 112.2 | G123 E124 L125 D129 Q130 V131 | G123-S127 PolarHBondContact O-N 2.99Å; E124-S127 PolarHBondContact O-N 2.92Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.45Å; S127-D129 VanDerWaalsContact C-N 3.3Å; S127-D129 PolarHBondContact O-N 3.04Å; S127-Q130 PolarHBondContact O-N 2.96Å; S127-V131 WeakPolarHBondContact O-CG2 3.44Å; S127-V131 PolarHBondContact O-N 3.47Å |
| 128 | S | 98.2 | Very high | 98.2 | Very high | 66 Ų | 66 | 93.9 Ų | 93.9 | 46% | 0.462 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.6 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | E124 L125 V131 R132 | E124-S128 WeakPolarHBondContact O-CB 3.36Å; E124-S128 PolarHBondContact O-N 3.29Å; L125-S128 WeakPolarHBondContact O-CB 3.39Å; L125-S128 PolarHBondContact O-N 3.19Å; S128-V131 PolarHBondContact O-N 3.29Å; S128-R132 WeakPolarHBondContact O-CB 3.3Å; S128-R132 PolarHBondContact O-N 3.49Å |
| 129 | D | 98 | Very high | 98.2 | Very high | 52 Ų | 52 | 95.3 Ų | 95.3 | 28% | 0.278 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.9 | -73.7 | -10.5 | 0 | 0 | 0 | 111.7 | L125 E126 S127 V131 R132 E133 | L125-D129 VanDerWaalsContact O-CG 3.3Å; L125-D129 PolarHBondContact O-N 3.3Å; E126-D129 PolarHBondContact O-N 3.07Å; S127-D129 VanDerWaalsContact C-N 3.3Å; S127-D129 PolarHBondContact O-N 3.04Å; D129-V131 PolarHBondContact O-N 3.29Å; D129-R132 PolarHBondContact O-N 3.49Å; D129-R132 IonicContact OD1-CZ 2.75Å; D129-R132 IonicContact OD1-NH1 3.81Å; D129-R132 PolarHBondContact OD1-NH1 3.02Å; D129-R132 IonicContact OD1-NH2 2.7Å; D129-R132 PolarHBondContact OD1-NH2 3.27Å; D129-R132 IonicContact OD2-NH2 3.9Å; D129-E133 WeakPolarHBondContact O-CG 3.49Å; D129-E133 PolarHBondContact O-N 3.07Å |
| 130 | Q | 98.4 | Very high | 98.2 | Very high | 116 Ų | 116 | 92.7 Ų | 92.7 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.2 | -69.8 | 172.4 | 16.4 | 0 | 0 | 112 | E126 S127 R132 E133 H134 | E126-Q130 WeakPolarHBondContact O-CG 3.4Å; E126-Q130 PolarHBondContact O-N 3.39Å; E126-Q130 VanDerWaalsContact O-N 3.11Å; S127-Q130 PolarHBondContact O-N 2.96Å; Q130-R132 VanDerWaalsContact C-N 3.34Å; Q130-R132 PolarHBondContact O-N 3.31Å; Q130-E133 PolarHBondContact O-N 3.24Å; Q130-H134 PolarHBondContact O-CD2 3.1Å; Q130-H134 PolarHBondContact O-N 3.44Å |
| 131 | V | 98.3 | Very high | 98.2 | Very high | 87 Ų | 87 | 91.7 Ų | 91.7 | 53% | 0.527 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | S127 S128 D129 E133 H134 T135 | S127-V131 WeakPolarHBondContact O-CG2 3.44Å; S127-V131 PolarHBondContact O-N 3.47Å; S128-V131 PolarHBondContact O-N 3.29Å; D129-V131 PolarHBondContact O-N 3.29Å; V131-E133 VanDerWaalsContact C-N 3.32Å; V131-E133 PolarHBondContact O-N 2.95Å; V131-H134 PolarHBondContact O-N 3.41Å; V131-T135 PolarHBondContact O-N 2.97Å; V131-T135 PolarHBondContact O-OG1 3.32Å |
| 132 | R | 98.5 | Very high | 98.2 | Very high | 137 Ų | 137 | 92.4 Ų | 92.4 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 177.9 | -176.2 | -178 | 61.1 | -119 | -2.1 | 112 | S128 D129 Q130 T135 S136 | S128-R132 WeakPolarHBondContact O-CB 3.3Å; S128-R132 PolarHBondContact O-N 3.49Å; D129-R132 PolarHBondContact O-N 3.49Å; D129-R132 IonicContact OD1-CZ 2.75Å; D129-R132 IonicContact OD1-NH1 3.81Å; D129-R132 PolarHBondContact OD1-NH1 3.02Å; D129-R132 IonicContact OD1-NH2 2.7Å; D129-R132 PolarHBondContact OD1-NH2 3.27Å; D129-R132 IonicContact OD2-NH2 3.9Å; Q130-R132 VanDerWaalsContact C-N 3.34Å; Q130-R132 PolarHBondContact O-N 3.31Å; R132-T135 PolarHBondContact O-N 2.89Å; R132-S136 WeakPolarHBondContact O-CB 3.46Å; R132-S136 PolarHBondContact O-N 3.41Å |
| 133 | E | 98.4 | Very high | 98.2 | Very high | 137 Ų | 137 | 93.3 Ų | 93.3 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 175.2 | -74.3 | -177.4 | 176.1 | 0 | 0 | 111.9 | D129 Q130 V131 T135 S136 H137 | D129-E133 WeakPolarHBondContact O-CG 3.49Å; D129-E133 PolarHBondContact O-N 3.07Å; Q130-E133 PolarHBondContact O-N 3.24Å; V131-E133 VanDerWaalsContact C-N 3.32Å; V131-E133 PolarHBondContact O-N 2.95Å; E133-T135 VanDerWaalsContact C-N 3.35Å; E133-T135 PolarHBondContact O-N 2.97Å; E133-S136 PolarHBondContact O-N 3.38Å; E133-H137 PolarHBondContact O-N 3.46Å |
| 134 | H | 97.9 | Very high | 98.2 | Very high | 126 Ų | 126 | 98.9 Ų | 98.9 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.7 | -42.7 | 175 | -75.6 | -58.4 | 0 | 0 | 0 | 112.4 | Q130 V131 H137 L138 | Q130-H134 PolarHBondContact O-CD2 3.1Å; Q130-H134 PolarHBondContact O-N 3.44Å; V131-H134 PolarHBondContact O-N 3.41Å; H134-H137 PolarHBondContact O-N 2.93Å; H134-L138 WeakPolarHBondContact O-CG 3.37Å; H134-L138 PolarHBondContact O-N 3.31Å |
| 135 | T | 97.9 | Very high | 98.2 | Very high | 64 Ų | 64 | 100.5 Ų | 100.5 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 174.7 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | V131 R132 E133 H137 L138 E139 | V131-T135 PolarHBondContact O-N 2.97Å; V131-T135 PolarHBondContact O-OG1 3.32Å; R132-T135 PolarHBondContact O-N 2.89Å; E133-T135 VanDerWaalsContact C-N 3.35Å; E133-T135 PolarHBondContact O-N 2.97Å; T135-H137 VanDerWaalsContact C-N 3.29Å; T135-H137 PolarHBondContact O-N 3.42Å; T135-L138 PolarHBondContact O-N 3.13Å; T135-E139 HydrophobicContact CG2-CG 4.39Å; T135-E139 WeakPolarHBondContact O-CG 3.31Å; T135-E139 PolarHBondContact O-N 2.85Å |
| 136 | S | 98.1 | Very high | 98.2 | Very high | 71 Ų | 71 | 100.8 Ų | 100.8 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 178.5 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | R132 E133 A140 | R132-S136 WeakPolarHBondContact O-CB 3.46Å; R132-S136 PolarHBondContact O-N 3.41Å; E133-S136 PolarHBondContact O-N 3.38Å; S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.43Å |
| 137 | H | 98.5 | Very high | 98.2 | Very high | 108 Ų | 108 | 98.6 Ų | 98.6 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 174.9 | -179.3 | 59.8 | 0 | 0 | 0 | 111.8 | E133 H134 T135 E139 A140 E141 | E133-H137 PolarHBondContact O-N 3.46Å; H134-H137 PolarHBondContact O-N 2.93Å; T135-H137 VanDerWaalsContact C-N 3.29Å; T135-H137 PolarHBondContact O-N 3.42Å; H137-E139 VanDerWaalsContact C-N 3.34Å; H137-E139 PolarHBondContact O-N 2.89Å; H137-A140 PolarHBondContact O-N 3.34Å; H137-E141 IonicContact CE1-OE1 2.8Å; H137-E141 IonicContact NE2-OE1 3.39Å; H137-E141 IonicContact NE2-OE2 3.88Å; H137-E141 PolarHBondContact O-N 2.95Å |
| 138 | L | 98.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 97.6 Ų | 97.6 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 178 | -70.8 | 172.6 | 0 | 0 | 0 | 112.1 | H134 T135 E141 L142 | H134-L138 WeakPolarHBondContact O-CG 3.37Å; H134-L138 PolarHBondContact O-N 3.31Å; T135-L138 PolarHBondContact O-N 3.13Å; L138-E141 PolarHBondContact O-N 2.84Å; L138-L142 WeakPolarHBondContact O-CB 3.35Å; L138-L142 WeakPolarHBondContact O-CG 3.43Å; L138-L142 PolarHBondContact O-N 2.91Å |
| 139 | E | 97.9 | Very high | 98.2 | Very high | 123 Ų | 123 | 96.8 Ų | 96.8 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 174.3 | -74.7 | 175 | 171.1 | 0 | 0 | 111.8 | T135 H137 L142 E143 | T135-E139 HydrophobicContact CG2-CG 4.39Å; T135-E139 WeakPolarHBondContact O-CG 3.31Å; T135-E139 PolarHBondContact O-N 2.85Å; H137-E139 VanDerWaalsContact C-N 3.34Å; H137-E139 PolarHBondContact O-N 2.89Å; E139-L142 PolarHBondContact O-N 3.01Å; E139-E143 WeakPolarHBondContact O-CB 3.29Å; E139-E143 PolarHBondContact O-N 3.42Å |
| 140 | A | 98.3 | Very high | 98.2 | Very high | 61 Ų | 61 | 97.2 Ų | 97.2 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S136 H137 K144 | S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.43Å; H137-A140 PolarHBondContact O-N 3.34Å; A140-K144 WeakPolarHBondContact O-CB 3.47Å; A140-K144 PolarHBondContact O-N 2.97Å |
| 141 | E | 98.4 | Very high | 98.2 | Very high | 86 Ų | 86 | 93.8 Ų | 93.8 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 173.9 | -73.1 | -163.9 | 136.9 | 0 | 0 | 111.8 | H137 L138 E143 K144 H145 | H137-E141 IonicContact CE1-OE1 2.8Å; H137-E141 IonicContact NE2-OE1 3.39Å; H137-E141 IonicContact NE2-OE2 3.88Å; H137-E141 PolarHBondContact O-N 2.95Å; L138-E141 PolarHBondContact O-N 2.84Å; E141-E143 PolarHBondContact O-N 3.36Å; E141-K144 WeakPolarHBondContact O-CB 3.49Å; E141-K144 PolarHBondContact O-N 3.37Å; E141-H145 PolarHBondContact O-CD2 3.41Å; E141-H145 PolarHBondContact O-N 3.5Å |
| 142 | L | 98.3 | Very high | 98.2 | Very high | 112 Ų | 112 | 94.7 Ų | 94.7 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.3 | -45.7 | 175.7 | -74.9 | 173.6 | 0 | 0 | 0 | 111.6 | L138 E139 K144 H145 M146 | L138-L142 WeakPolarHBondContact O-CB 3.35Å; L138-L142 WeakPolarHBondContact O-CG 3.43Å; L138-L142 PolarHBondContact O-N 2.91Å; E139-L142 PolarHBondContact O-N 3.01Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 3.37Å; L142-H145 PolarHBondContact O-N 3.02Å; L142-M146 WeakPolarHBondContact O-CG 3.44Å; L142-M146 PolarHBondContact O-N 3.26Å |
| 143 | E | 98.3 | Very high | 98.1 | Very high | 118 Ų | 118 | 92.2 Ų | 92.2 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -42.7 | 176.8 | -172.2 | 60.6 | -142.1 | 0 | 0 | 111.3 | E139 E141 H145 M146 A147 | E139-E143 WeakPolarHBondContact O-CB 3.29Å; E139-E143 PolarHBondContact O-N 3.42Å; E141-E143 PolarHBondContact O-N 3.36Å; E143-H145 PolarHBondContact O-N 3.34Å; E143-M146 PolarHBondContact O-N 2.92Å; E143-M146 WeakPolarHBondContact OE2-CE 3.45Å; E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 2.89Å |
| 144 | K | 98.5 | Very high | 98.1 | Very high | 153 Ų | 153 | 90.9 Ų | 90.9 | 67% | 0.665 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.8 | -45.4 | 174.6 | -179.7 | -173.4 | 174.2 | -171.6 | 0 | 111.6 | A140 E141 L142 A147 A148 | A140-K144 WeakPolarHBondContact O-CB 3.47Å; A140-K144 PolarHBondContact O-N 2.97Å; E141-K144 WeakPolarHBondContact O-CB 3.49Å; E141-K144 PolarHBondContact O-N 3.37Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 3.37Å; K144-A147 PolarHBondContact O-N 3.47Å; K144-A148 WeakPolarHBondContact O-CB 3.42Å; K144-A148 PolarHBondContact O-N 3.22Å |
| 145 | H | 98.3 | Very high | 98.1 | Very high | 125 Ų | 125 | 88.8 Ų | 88.8 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 177.4 | -78.9 | -66 | 0 | 0 | 0 | 112.2 | E141 L142 E143 A148 A149 | E141-H145 PolarHBondContact O-CD2 3.41Å; E141-H145 PolarHBondContact O-N 3.5Å; L142-H145 PolarHBondContact O-N 3.02Å; E143-H145 PolarHBondContact O-N 3.34Å; H145-A148 PolarHBondContact O-N 2.9Å; H145-A149 WeakPolarHBondContact O-CB 3.34Å; H145-A149 PolarHBondContact O-N 2.96Å |
| 146 | M | 98 | Very high | 98.1 | Very high | 109 Ų | 109 | 92.4 Ų | 92.4 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.1 | -71.6 | -166.6 | -60.3 | 0 | 0 | 111.9 | L142 E143 A149 S150 | L142-M146 WeakPolarHBondContact O-CG 3.44Å; L142-M146 PolarHBondContact O-N 3.26Å; E143-M146 PolarHBondContact O-N 2.92Å; E143-M146 WeakPolarHBondContact OE2-CE 3.45Å; M146-A149 PolarHBondContact O-N 3.34Å; M146-S150 VanDerWaalsContact O-CB 3.27Å; M146-S150 WeakPolarHBondContact O-CB 3.49Å; M146-S150 PolarHBondContact O-N 3.11Å |
| 147 | A | 98.3 | Very high | 98.1 | Very high | 55 Ų | 55 | 91.9 Ų | 91.9 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E143 K144 S150 A151 | E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 2.89Å; K144-A147 PolarHBondContact O-N 3.47Å; A147-S150 PolarHBondContact O-N 2.98Å; A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3.49Å |
| 148 | A | 98.1 | Very high | 98.1 | Very high | 43 Ų | 43 | 93.2 Ų | 93.2 | 36% | 0.355 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K144 H145 S150 A151 E152 | K144-A148 WeakPolarHBondContact O-CB 3.42Å; K144-A148 PolarHBondContact O-N 3.22Å; H145-A148 PolarHBondContact O-N 2.9Å; A148-S150 VanDerWaalsContact C-N 3.3Å; A148-S150 PolarHBondContact O-N 2.98Å; A148-A151 WeakPolarHBondContact O-CB 3.38Å; A148-A151 PolarHBondContact O-N 3.49Å; A148-A151 VanDerWaalsContact O-N 3.15Å; A148-E152 WeakPolarHBondContact O-CG 3.4Å; A148-E152 PolarHBondContact O-N 3.41Å |
| 149 | A | 97.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 93.9 Ų | 93.9 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | H145 M146 E152 C153 | H145-A149 WeakPolarHBondContact O-CB 3.34Å; H145-A149 PolarHBondContact O-N 2.96Å; M146-A149 PolarHBondContact O-N 3.34Å; A149-E152 PolarHBondContact O-N 2.92Å; A149-C153 PolarHBondContact O-N 2.69Å; A149-C153 PolarHBondContact O-SG 3.42Å |
| 150 | S | 97.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 91 Ų | 91 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 175.1 | -171.4 | 0 | 0 | 0 | 0 | 112 | M146 A147 A148 E152 C153 Q154 | M146-S150 VanDerWaalsContact O-CB 3.27Å; M146-S150 WeakPolarHBondContact O-CB 3.49Å; M146-S150 PolarHBondContact O-N 3.11Å; A147-S150 PolarHBondContact O-N 2.98Å; A148-S150 VanDerWaalsContact C-N 3.3Å; A148-S150 PolarHBondContact O-N 2.98Å; S150-E152 VanDerWaalsContact C-N 3.34Å; S150-E152 PolarHBondContact O-N 2.91Å; S150-C153 PolarHBondContact O-N 3.26Å; S150-Q154 WeakPolarHBondContact O-CG 3.35Å; S150-Q154 PolarHBondContact O-N 3.46Å |
| 151 | A | 98.1 | Very high | 98.1 | Very high | 43 Ų | 43 | 90.5 Ų | 90.5 | 36% | 0.355 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A147 A148 Q154 N155 | A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3.49Å; A148-A151 WeakPolarHBondContact O-CB 3.38Å; A148-A151 PolarHBondContact O-N 3.49Å; A148-A151 VanDerWaalsContact O-N 3.15Å; A151-Q154 PolarHBondContact O-N 2.94Å; A151-N155 VanDerWaalsContact O-CG 3.26Å; A151-N155 PolarHBondContact O-N 3.32Å; A151-N155 PolarHBondContact O-ND2 3.34Å |
| 152 | E | 97.9 | Very high | 98.1 | Very high | 107 Ų | 107 | 87.9 Ų | 87.9 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 173.7 | -72.5 | 175.8 | -164.3 | 0 | 0 | 111.7 | A148 A149 S150 Q154 N155 Y156 | A148-E152 WeakPolarHBondContact O-CG 3.4Å; A148-E152 PolarHBondContact O-N 3.41Å; A149-E152 PolarHBondContact O-N 2.92Å; S150-E152 VanDerWaalsContact C-N 3.34Å; S150-E152 PolarHBondContact O-N 2.91Å; E152-Q154 VanDerWaalsContact C-N 3.27Å; E152-Q154 PolarHBondContact O-N 3.08Å; E152-N155 WeakPolarHBondContact O-CB 3.41Å; E152-N155 PolarHBondContact O-N 2.86Å; E152-Y156 HydrophobicContact CB-CD2 4.47Å; E152-Y156 HydrophobicContact CB-CE2 4.11Å; E152-Y156 WeakPolarHBondContact O-CD2 3.46Å; E152-Y156 PolarHBondContact O-N 2.98Å |
| 153 | C | 97.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 88 Ų | 88 | 57% | 0.568 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.6 | -39.4 | 174.7 | -71 | 0 | 0 | 0 | 0 | 112.4 | A149 S150 A157 | A149-C153 PolarHBondContact O-N 2.69Å; A149-C153 PolarHBondContact O-SG 3.42Å; S150-C153 PolarHBondContact O-N 3.26Å; C153-A157 WeakPolarHBondContact O-CB 3.43Å; C153-A157 PolarHBondContact O-N 3.5Å |
| 154 | Q | 98.1 | Very high | 98.1 | Very high | 110 Ų | 110 | 90.1 Ų | 90.1 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 175 | -72.4 | 178 | 20.8 | 0 | 0 | 112.2 | S150 A151 E152 A157 K158 | S150-Q154 WeakPolarHBondContact O-CG 3.35Å; S150-Q154 PolarHBondContact O-N 3.46Å; A151-Q154 PolarHBondContact O-N 2.94Å; E152-Q154 VanDerWaalsContact C-N 3.27Å; E152-Q154 PolarHBondContact O-N 3.08Å; Q154-A157 PolarHBondContact O-N 3.47Å; Q154-K158 WeakPolarHBondContact O-CG 3.46Å; Q154-K158 PolarHBondContact O-N 2.94Å; Q154-K158 VanDerWaalsContact O-N 3.08Å |
| 155 | N | 98.1 | Very high | 98.1 | Very high | 82 Ų | 82 | 89.4 Ų | 89.4 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -48.7 | 175.8 | -69.4 | -20.7 | 0 | 0 | 0 | 111 | A151 E152 A157 K158 E159 | A151-N155 VanDerWaalsContact O-CG 3.26Å; A151-N155 PolarHBondContact O-N 3.32Å; A151-N155 PolarHBondContact O-ND2 3.34Å; E152-N155 WeakPolarHBondContact O-CB 3.41Å; E152-N155 PolarHBondContact O-N 2.86Å; N155-A157 VanDerWaalsContact C-N 3.28Å; N155-A157 PolarHBondContact O-N 3.47Å; N155-K158 WeakPolarHBondContact O-CB 3.42Å; N155-K158 PolarHBondContact O-N 3.38Å; N155-E159 WeakPolarHBondContact O-CG 3.34Å; N155-E159 PolarHBondContact O-N 2.96Å |
| 156 | Y | 98 | Very high | 98.1 | Very high | 140 Ų | 140 | 88.5 Ų | 88.5 | 55% | 0.549 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.5 | -41 | 174.5 | -67.6 | -50.9 | 0 | 0 | 0 | 112.1 | E152 K158 E159 V160 | E152-Y156 HydrophobicContact CB-CD2 4.47Å; E152-Y156 HydrophobicContact CB-CE2 4.11Å; E152-Y156 WeakPolarHBondContact O-CD2 3.46Å; E152-Y156 PolarHBondContact O-N 2.98Å; Y156-K158 VanDerWaalsContact C-N 3.34Å; Y156-K158 PolarHBondContact O-N 3.47Å; Y156-E159 PolarHBondContact O-N 3.29Å; Y156-V160 WeakPolarHBondContact O-CB 3.4Å; Y156-V160 VanDerWaalsContact O-CG2 3.24Å; Y156-V160 WeakPolarHBondContact O-CG2 3.49Å; Y156-V160 PolarHBondContact O-N 3.12Å |
| 157 | A | 98.2 | Very high | 98.1 | Very high | 59 Ų | 59 | 89 Ų | 89 | 49% | 0.488 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C153 Q154 N155 A161 | C153-A157 WeakPolarHBondContact O-CB 3.43Å; C153-A157 PolarHBondContact O-N 3.5Å; Q154-A157 PolarHBondContact O-N 3.47Å; N155-A157 VanDerWaalsContact C-N 3.28Å; N155-A157 PolarHBondContact O-N 3.47Å; A157-A161 WeakPolarHBondContact O-CB 3.39Å; A157-A161 PolarHBondContact O-N 3.22Å |
| 158 | K | 98 | Very high | 98.1 | Very high | 136 Ų | 136 | 92.5 Ų | 92.5 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -44.8 | 175.7 | -71.4 | 169.3 | -174 | 168.4 | 0 | 111.8 | Q154 N155 Y156 A161 G162 | Q154-K158 WeakPolarHBondContact O-CG 3.46Å; Q154-K158 PolarHBondContact O-N 2.94Å; Q154-K158 VanDerWaalsContact O-N 3.08Å; N155-K158 WeakPolarHBondContact O-CB 3.42Å; N155-K158 PolarHBondContact O-N 3.38Å; Y156-K158 VanDerWaalsContact C-N 3.34Å; Y156-K158 PolarHBondContact O-N 3.47Å; K158-A161 PolarHBondContact O-N 2.94Å; K158-G162 PolarHBondContact O-N 2.95Å |
| 159 | E | 98.1 | Very high | 98.1 | Very high | 116 Ų | 116 | 95.3 Ų | 95.3 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 178 | -72.3 | 175.9 | -173.8 | 0 | 0 | 111.6 | N155 Y156 A161 G162 L163 | N155-E159 WeakPolarHBondContact O-CG 3.34Å; N155-E159 PolarHBondContact O-N 2.96Å; Y156-E159 PolarHBondContact O-N 3.29Å; E159-A161 VanDerWaalsContact C-N 3.29Å; E159-A161 PolarHBondContact O-N 3.29Å; E159-G162 PolarHBondContact O-N 3.47Å; E159-G162 VanDerWaalsContact O-N 3.13Å; E159-L163 WeakPolarHBondContact O-CG 3.43Å; E159-L163 PolarHBondContact O-N 2.99Å |
| 160 | V | 98.4 | Very high | 98 | Very high | 61 Ų | 61 | 96.4 Ų | 96.4 | 37% | 0.37 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | Y156 R164 | Y156-V160 WeakPolarHBondContact O-CB 3.4Å; Y156-V160 VanDerWaalsContact O-CG2 3.24Å; Y156-V160 WeakPolarHBondContact O-CG2 3.49Å; Y156-V160 PolarHBondContact O-N 3.12Å; V160-R164 WeakPolarHBondContact O-CB 3.42Å; V160-R164 VanDerWaalsContact O-CG 3.29Å; V160-R164 WeakPolarHBondContact O-CG 3.38Å; V160-R164 PolarHBondContact O-N 3.49Å |
| 161 | A | 97.9 | Very high | 98.1 | Very high | 52 Ų | 52 | 97.7 Ų | 97.7 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A157 K158 E159 R164 Q165 | A157-A161 WeakPolarHBondContact O-CB 3.39Å; A157-A161 PolarHBondContact O-N 3.22Å; K158-A161 PolarHBondContact O-N 2.94Å; E159-A161 VanDerWaalsContact C-N 3.29Å; E159-A161 PolarHBondContact O-N 3.29Å; A161-R164 PolarHBondContact O-N 3.38Å; A161-Q165 PolarHBondContact O-N 3.24Å |
| 162 | G | 98.3 | Very high | 98.1 | Very high | 30 Ų | 30 | 99.4 Ų | 99.4 | 31% | 0.309 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | K158 E159 R164 Q165 L166 | K158-G162 PolarHBondContact O-N 2.95Å; E159-G162 PolarHBondContact O-N 3.47Å; E159-G162 VanDerWaalsContact O-N 3.13Å; G162-R164 PolarHBondContact O-N 2.89Å; G162-Q165 WeakPolarHBondContact O-CB 3.44Å; G162-Q165 PolarHBondContact O-N 3.11Å; G162-L166 PolarHBondContact O-N 3.41Å |
| 163 | L | 98.3 | Very high | 98 | Very high | 115 Ų | 115 | 100 Ų | 100 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 175.9 | -71.6 | 175.2 | 0 | 0 | 0 | 112.2 | E159 Q165 L166 L167 | E159-L163 WeakPolarHBondContact O-CG 3.43Å; E159-L163 PolarHBondContact O-N 2.99Å; L163-Q165 VanDerWaalsContact C-N 3.3Å; L163-Q165 PolarHBondContact O-N 2.98Å; L163-L166 PolarHBondContact O-N 3.23Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 PolarHBondContact O-N 3.29Å |
| 164 | R | 98.1 | Very high | 98.1 | Very high | 162 Ų | 162 | 99.8 Ų | 99.8 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -39.7 | 173.9 | -75.8 | 173.7 | -179.3 | 144 | 2.2 | 111.9 | V160 A161 G162 L167 L168 | V160-R164 WeakPolarHBondContact O-CB 3.42Å; V160-R164 VanDerWaalsContact O-CG 3.29Å; V160-R164 WeakPolarHBondContact O-CG 3.38Å; V160-R164 PolarHBondContact O-N 3.49Å; A161-R164 PolarHBondContact O-N 3.38Å; G162-R164 PolarHBondContact O-N 2.89Å; R164-L167 PolarHBondContact O-N 3.45Å; R164-L168 WeakPolarHBondContact O-CG 3.42Å; R164-L168 PolarHBondContact O-N 3.48Å |
| 165 | Q | 98.4 | Very high | 98.1 | Very high | 139 Ų | 139 | 98.1 Ų | 98.1 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -47.8 | 176.5 | -176.6 | 176.9 | -0.6 | 0 | 0 | 111.6 | A161 G162 L163 L167 L168 E169 | A161-Q165 PolarHBondContact O-N 3.24Å; G162-Q165 WeakPolarHBondContact O-CB 3.44Å; G162-Q165 PolarHBondContact O-N 3.11Å; L163-Q165 VanDerWaalsContact C-N 3.3Å; L163-Q165 PolarHBondContact O-N 2.98Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 3.49Å; Q165-L168 PolarHBondContact O-N 2.9Å; Q165-E169 PolarHBondContact O-N 3.45Å |
| 166 | L | 98.3 | Very high | 98 | Very high | 106 Ų | 106 | 97.2 Ų | 97.2 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -38.8 | 176.2 | -75.4 | 168.5 | 0 | 0 | 0 | 112.3 | G162 L163 E169 S170 | G162-L166 PolarHBondContact O-N 3.41Å; L163-L166 PolarHBondContact O-N 3.23Å; L166-E169 PolarHBondContact O-N 2.84Å; L166-S170 WeakPolarHBondContact O-CB 3.46Å; L166-S170 PolarHBondContact O-N 3.21Å |
| 167 | L | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 93.3 Ų | 93.3 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -43.9 | 175.7 | -178.4 | 65.1 | 0 | 0 | 0 | 111.6 | L163 R164 Q165 S170 Q171 | L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 PolarHBondContact O-N 3.29Å; R164-L167 PolarHBondContact O-N 3.45Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 3.49Å; L167-S170 PolarHBondContact O-N 3.25Å; L167-Q171 WeakPolarHBondContact O-CB 3.5Å; L167-Q171 PolarHBondContact O-N 3.39Å |
| 168 | L | 98.1 | Very high | 97.9 | Very high | 128 Ų | 128 | 96 Ų | 96 | 67% | 0.67 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 176 | -74.5 | 169.9 | 0 | 0 | 0 | 111.9 | R164 Q165 Q171 S172 | R164-L168 WeakPolarHBondContact O-CG 3.42Å; R164-L168 PolarHBondContact O-N 3.48Å; Q165-L168 PolarHBondContact O-N 2.9Å; L168-Q171 PolarHBondContact O-N 3.11Å; L168-S172 PolarHBondContact O-N 2.9Å |
| 169 | E | 97.9 | Very high | 97.9 | Very high | 103 Ų | 103 | 93.5 Ų | 93.5 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 176.3 | -174.1 | 173.3 | -174.9 | 0 | 0 | 111.6 | Q165 L166 Q171 S172 Q173 | Q165-E169 PolarHBondContact O-N 3.45Å; L166-E169 PolarHBondContact O-N 2.84Å; E169-Q171 VanDerWaalsContact C-N 3.35Å; E169-Q171 PolarHBondContact O-N 3.38Å; E169-S172 WeakPolarHBondContact O-CB 3.2Å; E169-S172 PolarHBondContact O-N 3.05Å; E169-Q173 WeakPolarHBondContact O-CG 3.33Å; E169-Q173 PolarHBondContact O-N 2.85Å |
| 170 | S | 97.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 92.1 Ų | 92.1 | 49% | 0.49 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 175.4 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | L166 L167 S172 Q173 L174 | L166-S170 WeakPolarHBondContact O-CB 3.46Å; L166-S170 PolarHBondContact O-N 3.21Å; L167-S170 PolarHBondContact O-N 3.25Å; S170-S172 PolarHBondContact O-N 2.91Å; S170-Q173 PolarHBondContact O-N 3.46Å; S170-L174 WeakPolarHBondContact O-CB 3.11Å; S170-L174 PolarHBondContact O-N 3.21Å |
| 171 | Q | 98.1 | Very high | 97.7 | Very high | 90 Ų | 90 | 91.8 Ų | 91.8 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 174.8 | -177.5 | 61.1 | 47.5 | 0 | 0 | 111.2 | L167 L168 E169 Q173 L174 D175 | L167-Q171 WeakPolarHBondContact O-CB 3.5Å; L167-Q171 PolarHBondContact O-N 3.39Å; L168-Q171 PolarHBondContact O-N 3.11Å; E169-Q171 VanDerWaalsContact C-N 3.35Å; E169-Q171 PolarHBondContact O-N 3.38Å; Q171-Q173 PolarHBondContact O-N 3.3Å; Q171-L174 PolarHBondContact O-N 3.43Å; Q171-D175 PolarHBondContact NE2-OD1 3.35Å; Q171-D175 PolarHBondContact NE2-OD2 3.47Å; Q171-D175 PolarHBondContact O-N 3.48Å |
| 172 | S | 97.8 | Very high | 97.7 | Very high | 78 Ų | 78 | 94.4 Ų | 94.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | L168 E169 S170 D175 A176 | L168-S172 PolarHBondContact O-N 2.9Å; E169-S172 WeakPolarHBondContact O-CB 3.2Å; E169-S172 PolarHBondContact O-N 3.05Å; S170-S172 PolarHBondContact O-N 2.91Å; S172-D175 PolarHBondContact O-N 2.64Å; S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 3.08Å |
| 173 | Q | 97.8 | Very high | 97.6 | Very high | 120 Ų | 120 | 98.1 Ų | 98.1 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -41 | 176.4 | -71.7 | 176.4 | 7.8 | 0 | 0 | 111.4 | E169 S170 Q171 A176 A177 | E169-Q173 WeakPolarHBondContact O-CG 3.33Å; E169-Q173 PolarHBondContact O-N 2.85Å; S170-Q173 PolarHBondContact O-N 3.46Å; Q171-Q173 PolarHBondContact O-N 3.3Å; Q173-A176 PolarHBondContact O-N 3.22Å; Q173-A177 WeakPolarHBondContact O-CB 3.33Å; Q173-A177 PolarHBondContact O-N 2.81Å |
| 174 | L | 97.9 | Very high | 97.5 | Very high | 79 Ų | 79 | 97.7 Ų | 97.7 | 41% | 0.414 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.2 | 179.5 | 64.5 | 0 | 0 | 0 | 111.5 | S170 Q171 A177 K178 | S170-L174 WeakPolarHBondContact O-CB 3.11Å; S170-L174 PolarHBondContact O-N 3.21Å; Q171-L174 PolarHBondContact O-N 3.43Å; L174-A177 PolarHBondContact O-N 3.25Å; L174-K178 HydrophobicContact CG-CD 4.35Å; L174-K178 WeakPolarHBondContact O-CB 3.44Å; L174-K178 VanDerWaalsContact O-CG 3.32Å; L174-K178 WeakPolarHBondContact O-CG 3.47Å; L174-K178 PolarHBondContact O-N 3.3Å |
| 175 | D | 97.9 | Very high | 97.4 | Very high | 76 Ų | 76 | 93.1 Ų | 93.1 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 178.9 | -68.3 | -28.8 | 0 | 0 | 0 | 111.6 | Q171 S172 K178 S179 | Q171-D175 PolarHBondContact NE2-OD1 3.35Å; Q171-D175 PolarHBondContact NE2-OD2 3.47Å; Q171-D175 PolarHBondContact O-N 3.48Å; S172-D175 PolarHBondContact O-N 2.64Å; D175-K178 PolarHBondContact O-N 3.43Å; D175-S179 WeakPolarHBondContact O-CB 3.24Å; D175-S179 PolarHBondContact O-N 2.96Å |
| 176 | A | 97.7 | Very high | 97.3 | Very high | 62 Ų | 62 | 90.8 Ų | 90.8 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | S172 Q173 K178 S179 E180 | S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 3.08Å; Q173-A176 PolarHBondContact O-N 3.22Å; A176-K178 PolarHBondContact O-N 3.28Å; A176-S179 PolarHBondContact O-N 2.91Å; A176-E180 PolarHBondContact O-N 3.45Å |
| 177 | A | 97 | Very high | 97.2 | Very high | 58 Ų | 58 | 90.3 Ų | 90.3 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q173 L174 E180 A181 | Q173-A177 WeakPolarHBondContact O-CB 3.33Å; Q173-A177 PolarHBondContact O-N 2.81Å; L174-A177 PolarHBondContact O-N 3.25Å; A177-E180 PolarHBondContact O-N 3.45Å; A177-A181 WeakPolarHBondContact O-CB 3.01Å; A177-A181 PolarHBondContact O-N 2.98Å |
| 178 | K | 97.2 | Very high | 97 | Very high | 116 Ų | 116 | 88.7 Ų | 88.7 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 173.3 | -77.4 | 174.3 | -177.4 | 167.7 | 0 | 112 | L174 D175 A176 E180 A181 Q182 | L174-K178 HydrophobicContact CG-CD 4.35Å; L174-K178 WeakPolarHBondContact O-CB 3.44Å; L174-K178 VanDerWaalsContact O-CG 3.32Å; L174-K178 WeakPolarHBondContact O-CG 3.47Å; L174-K178 PolarHBondContact O-N 3.3Å; D175-K178 PolarHBondContact O-N 3.43Å; A176-K178 PolarHBondContact O-N 3.28Å; K178-E180 VanDerWaalsContact C-N 3.31Å; K178-E180 PolarHBondContact O-N 2.88Å; K178-A181 PolarHBondContact O-N 2.73Å; K178-Q182 WeakPolarHBondContact O-CB 3.49Å; K178-Q182 PolarHBondContact O-N 2.89Å |
| 179 | S | 97 | Very high | 96.9 | Very high | 84 Ų | 84 | 85.1 Ų | 85.1 | 59% | 0.587 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 177.4 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | D175 A176 Q182 K183 | D175-S179 WeakPolarHBondContact O-CB 3.24Å; D175-S179 PolarHBondContact O-N 2.96Å; A176-S179 PolarHBondContact O-N 2.91Å; S179-Q182 PolarHBondContact O-N 3.41Å; S179-K183 WeakPolarHBondContact O-CB 3.45Å; S179-K183 PolarHBondContact O-N 2.8Å |
| 180 | E | 97 | Very high | 96.8 | Very high | 86 Ų | 86 | 84.6 Ų | 84.6 | 40% | 0.402 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 176.5 | -176.4 | 58.4 | -153.1 | 0 | 0 | 111.5 | A176 A177 K178 Q182 K183 Q184 | A176-E180 PolarHBondContact O-N 3.45Å; A177-E180 PolarHBondContact O-N 3.45Å; K178-E180 VanDerWaalsContact C-N 3.31Å; K178-E180 PolarHBondContact O-N 2.88Å; E180-Q182 VanDerWaalsContact C-N 3.3Å; E180-Q182 PolarHBondContact O-N 3.01Å; E180-K183 WeakPolarHBondContact O-CB 3.27Å; E180-K183 PolarHBondContact O-N 3.37Å; E180-Q184 WeakPolarHBondContact O-CG 3.46Å; E180-Q184 PolarHBondContact O-N 3.02Å; E180-Q184 PolarHBondContact OE1-NE2 2.62Å; E180-Q184 VanDerWaalsContact OE1-NE2 3.15Å |
| 181 | A | 96.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 84.8 Ų | 84.8 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A177 K178 Q184 S185 | A177-A181 WeakPolarHBondContact O-CB 3.01Å; A177-A181 PolarHBondContact O-N 2.98Å; K178-A181 PolarHBondContact O-N 2.73Å; A181-Q184 PolarHBondContact O-N 2.68Å; A181-S185 WeakPolarHBondContact O-CB 3.06Å; A181-S185 PolarHBondContact O-N 2.96Å |
| 182 | Q | 96.7 | Very high | 96.4 | Very high | 107 Ų | 107 | 88.7 Ų | 88.7 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 173.9 | -177 | 61 | 44.1 | 0 | 0 | 111.1 | K178 S179 E180 Q184 S185 D186 | K178-Q182 WeakPolarHBondContact O-CB 3.49Å; K178-Q182 PolarHBondContact O-N 2.89Å; S179-Q182 PolarHBondContact O-N 3.41Å; E180-Q182 VanDerWaalsContact C-N 3.3Å; E180-Q182 PolarHBondContact O-N 3.01Å; Q182-Q184 VanDerWaalsContact C-N 3.33Å; Q182-Q184 PolarHBondContact O-N 2.97Å; Q182-S185 WeakPolarHBondContact O-CB 3.26Å; Q182-S185 PolarHBondContact O-N 3.35Å; Q182-S185 VanDerWaalsContact O-N 3.13Å; Q182-D186 PolarHBondContact NE2-OD1 3.43Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 3.35Å |
| 183 | K | 97.2 | Very high | 96.2 | Very high | 107 Ų | 107 | 89.9 Ų | 89.9 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 176.9 | -175.3 | -172.5 | 173 | -147.3 | 0 | 111.6 | S179 E180 S185 D186 E187 | S179-K183 WeakPolarHBondContact O-CB 3.45Å; S179-K183 PolarHBondContact O-N 2.8Å; E180-K183 WeakPolarHBondContact O-CB 3.27Å; E180-K183 PolarHBondContact O-N 3.37Å; K183-S185 VanDerWaalsContact C-N 3.33Å; K183-S185 PolarHBondContact O-N 2.94Å; K183-D186 PolarHBondContact O-N 3.27Å; K183-E187 WeakPolarHBondContact CE-OE1 3.45Å; K183-E187 IonicContact NZ-OE1 3.72Å; K183-E187 WeakPolarHBondContact O-CB 3.32Å; K183-E187 WeakPolarHBondContact O-CG 3.42Å; K183-E187 PolarHBondContact O-N 2.86Å |
| 184 | Q | 95.6 | Very high | 96 | Very high | 106 Ų | 106 | 89 Ų | 89 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 175.2 | -71 | 177.7 | 5.9 | 0 | 0 | 112.2 | E180 A181 Q182 L188 | E180-Q184 WeakPolarHBondContact O-CG 3.46Å; E180-Q184 PolarHBondContact O-N 3.02Å; E180-Q184 PolarHBondContact OE1-NE2 2.62Å; E180-Q184 VanDerWaalsContact OE1-NE2 3.15Å; A181-Q184 PolarHBondContact O-N 2.68Å; Q182-Q184 VanDerWaalsContact C-N 3.33Å; Q182-Q184 PolarHBondContact O-N 2.97Å; Q184-L188 WeakPolarHBondContact O-CB 3.43Å; Q184-L188 PolarHBondContact O-N 2.69Å |
| 185 | S | 95.4 | Very high | 95.7 | Very high | 67 Ų | 67 | 89.7 Ų | 89.7 | 47% | 0.469 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 173.4 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | A181 Q182 K183 L188 A189 | A181-S185 WeakPolarHBondContact O-CB 3.06Å; A181-S185 PolarHBondContact O-N 2.96Å; Q182-S185 WeakPolarHBondContact O-CB 3.26Å; Q182-S185 PolarHBondContact O-N 3.35Å; Q182-S185 VanDerWaalsContact O-N 3.13Å; K183-S185 VanDerWaalsContact C-N 3.33Å; K183-S185 PolarHBondContact O-N 2.94Å; S185-L188 PolarHBondContact O-N 3.41Å; S185-A189 WeakPolarHBondContact O-CB 3.48Å; S185-A189 PolarHBondContact O-N 3.38Å |
| 186 | D | 96.3 | Very high | 95.2 | Very high | 89 Ų | 89 | 89.3 Ų | 89.3 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 177.8 | -64.1 | -21.4 | 0 | 0 | 0 | 111.2 | Q182 K183 L188 A189 L190 | Q182-D186 PolarHBondContact NE2-OD1 3.43Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 3.35Å; K183-D186 PolarHBondContact O-N 3.27Å; D186-L188 PolarHBondContact O-N 2.97Å; D186-A189 PolarHBondContact O-N 2.93Å; D186-L190 PolarHBondContact O-N 3.46Å |
| 187 | E | 96 | Very high | 94.7 | Very high | 97 Ų | 97 | 90.6 Ų | 90.6 | 45% | 0.453 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 173.4 | -74.2 | 175.7 | -171.8 | 0 | 0 | 111.4 | K183 L190 V191 | K183-E187 WeakPolarHBondContact CE-OE1 3.45Å; K183-E187 IonicContact NZ-OE1 3.72Å; K183-E187 WeakPolarHBondContact O-CB 3.32Å; K183-E187 WeakPolarHBondContact O-CG 3.42Å; K183-E187 PolarHBondContact O-N 2.86Å; E187-L190 WeakPolarHBondContact O-CB 3.44Å; E187-L190 PolarHBondContact O-N 3.05Å; E187-V191 WeakPolarHBondContact O-CG2 3.44Å; E187-V191 PolarHBondContact O-N 3.25Å |
| 188 | L | 95.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 93.2 Ų | 93.2 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 178 | -171.3 | 150.3 | 0 | 0 | 0 | 111.8 | Q184 S185 D186 V191 R192 | Q184-L188 WeakPolarHBondContact O-CB 3.43Å; Q184-L188 PolarHBondContact O-N 2.69Å; S185-L188 PolarHBondContact O-N 3.41Å; D186-L188 PolarHBondContact O-N 2.97Å; L188-V191 PolarHBondContact O-N 3.23Å; L188-R192 HydrophobicContact CD2-CG 4.13Å; L188-R192 VanDerWaalsContact CD2-NE 3.26Å; L188-R192 WeakPolarHBondContact O-CB 3.4Å; L188-R192 WeakPolarHBondContact O-CG 3.48Å; L188-R192 PolarHBondContact O-N 3.03Å |
| 189 | A | 94.5 | Very high | 93.5 | Very high | 53 Ų | 53 | 93.5 Ų | 93.5 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S185 D186 R192 Q193 | S185-A189 WeakPolarHBondContact O-CB 3.48Å; S185-A189 PolarHBondContact O-N 3.38Å; D186-A189 PolarHBondContact O-N 2.93Å; A189-R192 PolarHBondContact O-N 3.44Å; A189-Q193 WeakPolarHBondContact O-CB 3.43Å; A189-Q193 PolarHBondContact O-N 3.17Å |
| 190 | L | 95.7 | Very high | 92.6 | Very high | 91 Ų | 91 | 92.1 Ų | 92.1 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 174.4 | -175 | 68.7 | 0 | 0 | 0 | 111.5 | D186 E187 Q193 Q194 | D186-L190 PolarHBondContact O-N 3.46Å; E187-L190 WeakPolarHBondContact O-CB 3.44Å; E187-L190 PolarHBondContact O-N 3.05Å; L190-Q193 WeakPolarHBondContact O-CB 3.5Å; L190-Q193 PolarHBondContact O-N 3.02Å; L190-Q194 WeakPolarHBondContact O-CG 3.46Å; L190-Q194 PolarHBondContact O-N 2.61Å |
| 191 | V | 95.1 | Very high | 91.4 | Very high | 74 Ų | 74 | 94.9 Ų | 94.9 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111 | E187 L188 Q193 Q194 L195 | E187-V191 WeakPolarHBondContact O-CG2 3.44Å; E187-V191 PolarHBondContact O-N 3.25Å; L188-V191 PolarHBondContact O-N 3.23Å; V191-Q193 VanDerWaalsContact C-N 3.33Å; V191-Q193 PolarHBondContact O-N 2.92Å; V191-Q194 PolarHBondContact O-N 2.89Å; V191-L195 HydrophobicContact CG1-CD1 4.09Å; V191-L195 HydrophobicContact CG1-CG 4.29Å; V191-L195 WeakPolarHBondContact O-CB 3.23Å; V191-L195 VanDerWaalsContact O-CG 3.28Å; V191-L195 WeakPolarHBondContact O-CG 3.42Å; V191-L195 PolarHBondContact O-N 3.04Å |
| 192 | R | 93.3 | Very high | 89.8 | Confident | 172 Ų | 172 | 97.1 Ų | 97.1 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 175.1 | -78 | 179.2 | 176.9 | 165.3 | 3.7 | 111.9 | L188 A189 L195 S196 | L188-R192 HydrophobicContact CD2-CG 4.13Å; L188-R192 VanDerWaalsContact CD2-NE 3.26Å; L188-R192 WeakPolarHBondContact O-CB 3.4Å; L188-R192 WeakPolarHBondContact O-CG 3.48Å; L188-R192 PolarHBondContact O-N 3.03Å; A189-R192 PolarHBondContact O-N 3.44Å; R192-L195 PolarHBondContact O-N 3.32Å; R192-S196 WeakPolarHBondContact O-CB 3.33Å; R192-S196 PolarHBondContact O-N 3.5Å; R192-S196 PolarHBondContact O-OG 3Å |
| 193 | Q | 93.8 | Very high | 87.9 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -50.7 | 175.3 | -178.7 | -176 | -19.2 | 0 | 0 | 110.5 | A189 L190 V191 L195 S196 E197 | A189-Q193 WeakPolarHBondContact O-CB 3.43Å; A189-Q193 PolarHBondContact O-N 3.17Å; L190-Q193 WeakPolarHBondContact O-CB 3.5Å; L190-Q193 PolarHBondContact O-N 3.02Å; V191-Q193 VanDerWaalsContact C-N 3.33Å; V191-Q193 PolarHBondContact O-N 2.92Å; Q193-L195 VanDerWaalsContact C-N 3.33Å; Q193-L195 PolarHBondContact O-N 3.07Å; Q193-S196 WeakPolarHBondContact CA-OG 2.97Å; Q193-S196 CarbonylContact O-C 3.54Å; Q193-S196 WeakPolarHBondContact O-CA 3.43Å; Q193-S196 WeakPolarHBondContact O-CB 3.43Å; Q193-S196 PolarHBondContact O-N 2.86Å; Q193-S196 PolarHBondContact O-OG 3.22Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.2Å; Q193-E197 PolarHBondContact NE2-OE1 2.94Å; Q193-E197 WeakPolarHBondContact O-CG 3.49Å; Q193-E197 PolarHBondContact O-N 3.06Å |
| 194 | Q | 93 | Very high | 85.5 | Confident | 102 Ų | 102 | 99.5 Ų | 99.5 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 176.7 | -72.4 | 174.5 | -11.4 | 0 | 0 | 112.3 | L190 V191 S196 E197 M198 | L190-Q194 WeakPolarHBondContact O-CG 3.46Å; L190-Q194 PolarHBondContact O-N 2.61Å; V191-Q194 PolarHBondContact O-N 2.89Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 2.88Å; Q194-E197 PolarHBondContact O-N 3.39Å; Q194-M198 VanDerWaalsContact O-CB 3.3Å; Q194-M198 WeakPolarHBondContact O-CB 3.43Å; Q194-M198 PolarHBondContact O-N 3.02Å |
| 195 | L | 92.1 | Very high | 83.1 | Confident | 94 Ų | 94 | 97.3 Ų | 97.3 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 173.7 | -74.1 | 177 | 0 | 0 | 0 | 111.5 | V191 R192 Q193 M198 K199 | V191-L195 HydrophobicContact CG1-CD1 4.09Å; V191-L195 HydrophobicContact CG1-CG 4.29Å; V191-L195 WeakPolarHBondContact O-CB 3.23Å; V191-L195 VanDerWaalsContact O-CG 3.28Å; V191-L195 WeakPolarHBondContact O-CG 3.42Å; V191-L195 PolarHBondContact O-N 3.04Å; R192-L195 PolarHBondContact O-N 3.32Å; Q193-L195 VanDerWaalsContact C-N 3.33Å; Q193-L195 PolarHBondContact O-N 3.07Å; L195-M198 HydrophobicContact CD2-CE 3.61Å; L195-K199 WeakPolarHBondContact O-CB 3.47Å; L195-K199 PolarHBondContact O-N 3.02Å |
| 196 | S | 86.8 | Confident | 80.1 | Confident | 68 Ų | 68 | 100.2 Ų | 100.2 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.5 | -38.1 | 176.1 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | R192 Q193 Q194 K199 S200 | R192-S196 WeakPolarHBondContact O-CB 3.33Å; R192-S196 PolarHBondContact O-N 3.5Å; R192-S196 PolarHBondContact O-OG 3Å; Q193-S196 WeakPolarHBondContact CA-OG 2.97Å; Q193-S196 CarbonylContact O-C 3.54Å; Q193-S196 WeakPolarHBondContact O-CA 3.43Å; Q193-S196 WeakPolarHBondContact O-CB 3.43Å; Q193-S196 PolarHBondContact O-N 2.86Å; Q193-S196 PolarHBondContact O-OG 3.22Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 2.88Å; S196-K199 PolarHBondContact O-N 2.95Å; S196-S200 WeakPolarHBondContact O-CB 3.31Å; S196-S200 PolarHBondContact O-N 2.81Å; S196-S200 PolarHBondContact O-OG 3.01Å |
| 197 | E | 87.8 | Confident | 77 | Confident | 89 Ų | 89 | 104 Ų | 104 | 42% | 0.416 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 173 | -72.5 | 169.8 | -171.3 | 0 | 0 | 110 | Q193 Q194 K199 S200 H201 | Q193-E197 WeakPolarHBondContact CG-OE1 3.2Å; Q193-E197 PolarHBondContact NE2-OE1 2.94Å; Q193-E197 WeakPolarHBondContact O-CG 3.49Å; Q193-E197 PolarHBondContact O-N 3.06Å; Q194-E197 PolarHBondContact O-N 3.39Å; E197-K199 VanDerWaalsContact C-N 3.34Å; E197-K199 PolarHBondContact O-N 3.31Å; E197-S200 WeakPolarHBondContact CA-OG 3.35Å; E197-S200 CarbonylContact O-C 3.52Å; E197-S200 PolarHBondContact O-N 3.06Å; E197-S200 VanDerWaalsContact O-N 3.17Å; E197-S200 PolarHBondContact O-OG 3.07Å; E197-H201 PolarHBondContact O-CD2 3.35Å; E197-H201 VanDerWaalsContact O-CD2 3.31Å; E197-H201 PolarHBondContact O-N 3.37Å |
| 198 | M | 84.2 | Confident | 74 | Confident | 113 Ų | 113 | 103.8 Ų | 103.8 | 56% | 0.557 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.5 | -41.9 | 174.6 | -174.9 | 174.7 | 68.1 | 0 | 0 | 111.7 | Q194 L195 H201 V202 | Q194-M198 VanDerWaalsContact O-CB 3.3Å; Q194-M198 WeakPolarHBondContact O-CB 3.43Å; Q194-M198 PolarHBondContact O-N 3.02Å; L195-M198 HydrophobicContact CD2-CE 3.61Å; M198-H201 WeakPolarHBondContact O-CB 3.48Å; M198-H201 PolarHBondContact O-N 3.48Å; M198-V202 WeakPolarHBondContact O-CG2 3.35Å; M198-V202 PolarHBondContact O-N 2.62Å |
| 199 | K | 84.8 | Confident | 70.8 | Confident | 121 Ų | 121 | 103.7 Ų | 103.7 | 53% | 0.526 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.6 | -42.2 | 173.8 | 179.3 | 177.2 | 170.4 | 179 | 0 | 111.1 | L195 S196 E197 H201 V202 E203 | L195-K199 WeakPolarHBondContact O-CB 3.47Å; L195-K199 PolarHBondContact O-N 3.02Å; S196-K199 PolarHBondContact O-N 2.95Å; E197-K199 VanDerWaalsContact C-N 3.34Å; E197-K199 PolarHBondContact O-N 3.31Å; K199-H201 VanDerWaalsContact C-N 3.32Å; K199-H201 PolarHBondContact O-N 3.28Å; K199-V202 CarbonylContact O-C 3.6Å; K199-V202 WeakPolarHBondContact O-CA 3.47Å; K199-V202 WeakPolarHBondContact O-CB 3.35Å; K199-V202 PolarHBondContact O-N 2.95Å; K199-V202 VanDerWaalsContact O-N 3.11Å; K199-E203 WeakPolarHBondContact CE-OE1 3.47Å; K199-E203 WeakPolarHBondContact CE-OE2 3.41Å; K199-E203 HydrophobicContact CG-CG 4.44Å; K199-E203 IonicContact NZ-OE1 3.95Å; K199-E203 WeakPolarHBondContact O-CB 3.41Å; K199-E203 PolarHBondContact O-N 2.88Å |
| 200 | S | 76.4 | Confident | 67.8 | Low | 55 Ų | 55 | 105.8 Ų | 105.8 | 39% | 0.385 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.3 | -33.8 | 175.6 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | S196 E197 V202 E203 D204 | S196-S200 WeakPolarHBondContact O-CB 3.31Å; S196-S200 PolarHBondContact O-N 2.81Å; S196-S200 PolarHBondContact O-OG 3.01Å; E197-S200 WeakPolarHBondContact CA-OG 3.35Å; E197-S200 CarbonylContact O-C 3.52Å; E197-S200 PolarHBondContact O-N 3.06Å; E197-S200 VanDerWaalsContact O-N 3.17Å; E197-S200 PolarHBondContact O-OG 3.07Å; S200-V202 VanDerWaalsContact C-N 3.34Å; S200-E203 CarbonylContact O-C 3.6Å; S200-E203 PolarHBondContact O-N 2.85Å; S200-D204 WeakPolarHBondContact O-CB 3.45Å; S200-D204 PolarHBondContact O-N 2.73Å |
| 201 | H | 72.3 | Confident | 65.4 | Low | 145 Ų | 145 | 107.2 Ų | 107.2 | 67% | 0.671 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.4 | -32.1 | 171 | -85.2 | -61.3 | 0 | 0 | 0 | 113 | E197 M198 K199 | E197-H201 PolarHBondContact O-CD2 3.35Å; E197-H201 VanDerWaalsContact O-CD2 3.31Å; E197-H201 PolarHBondContact O-N 3.37Å; M198-H201 WeakPolarHBondContact O-CB 3.48Å; M198-H201 PolarHBondContact O-N 3.48Å; K199-H201 VanDerWaalsContact C-N 3.32Å; K199-H201 PolarHBondContact O-N 3.28Å |
| 202 | V | 64.1 | Low | 62.1 | Low | 101 Ų | 101 | 107.9 Ų | 107.9 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.6 | -37 | 172.1 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | M198 K199 S200 G205 D206 | M198-V202 WeakPolarHBondContact O-CG2 3.35Å; M198-V202 PolarHBondContact O-N 2.62Å; K199-V202 CarbonylContact O-C 3.6Å; K199-V202 WeakPolarHBondContact O-CA 3.47Å; K199-V202 WeakPolarHBondContact O-CB 3.35Å; K199-V202 PolarHBondContact O-N 2.95Å; K199-V202 VanDerWaalsContact O-N 3.11Å; S200-V202 VanDerWaalsContact C-N 3.34Å; V202-G205 CarbonylContact O-C 3.55Å; V202-G205 WeakPolarHBondContact O-CA 3.34Å; V202-G205 PolarHBondContact O-N 2.79Å; V202-G205 VanDerWaalsContact O-N 3.16Å; V202-D206 PolarHBondContact O-N 3.39Å |
| 203 | E | 55.2 | Low | 59 | Low | 109 Ų | 109 | 105.2 Ų | 105.2 | 51% | 0.509 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -75.3 | -30.3 | 177.2 | -79.9 | 169.7 | 157.8 | 0 | 0 | 113.2 | K199 S200 G205 D206 | K199-E203 WeakPolarHBondContact CE-OE1 3.47Å; K199-E203 WeakPolarHBondContact CE-OE2 3.41Å; K199-E203 HydrophobicContact CG-CG 4.44Å; K199-E203 IonicContact NZ-OE1 3.95Å; K199-E203 WeakPolarHBondContact O-CB 3.41Å; K199-E203 PolarHBondContact O-N 2.88Å; S200-E203 CarbonylContact O-C 3.6Å; S200-E203 PolarHBondContact O-N 2.85Å; E203-G205 PolarHBondContact O-N 3.29Å; E203-D206 CarbonylContact O-C 3.43Å; E203-D206 PolarHBondContact O-N 2.77Å |
| 204 | D | 47.9 | Very low | 56.2 | Low | 155 Ų | 155 | 105.7 Ų | 105.7 | 83% | 0.829 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -12.3 | 166.4 | -104.6 | -5.4 | 0 | 0 | 0 | 112 | S200 | S200-D204 WeakPolarHBondContact O-CB 3.45Å; S200-D204 PolarHBondContact O-N 2.73Å |
| 205 | G | 45.4 | Very low | 53.7 | Low | 61 Ų | 61 | 106.2 Ų | 106.2 | 63% | 0.629 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -2.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V202 E203 | V202-G205 CarbonylContact O-C 3.55Å; V202-G205 WeakPolarHBondContact O-CA 3.34Å; V202-G205 PolarHBondContact O-N 2.79Å; V202-G205 VanDerWaalsContact O-N 3.16Å; E203-G205 PolarHBondContact O-N 3.29Å |
| 206 | D | 32.3 | Very low | 50.7 | Low | 128 Ų | 128 | 110.7 Ų | 110.7 | 68% | 0.684 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -156.1 | 116.5 | -178.6 | -137.9 | -8.3 | 0 | 0 | 0 | 113.3 | V202 E203 A208 | V202-D206 PolarHBondContact O-N 3.39Å; E203-D206 CarbonylContact O-C 3.43Å; E203-D206 PolarHBondContact O-N 2.77Å; D206-A208 PolarHBondContact O-N 3.22Å |
| 207 | I | 30 | Very low | 48.1 | Very low | 167 Ų | 167 | 111.7 Ų | 111.7 | 86% | 0.856 | 69% | 0.693 | S | S | * | * | trans | -77 | 114.1 | 175 | -66.7 | 167.1 | 0 | 0 | 0 | 108.7 | ||||
| 208 | A | 32.9 | Very low | 45.9 | Very low | 93 Ų | 93 | 113 Ų | 113 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | 157.6 | 126.5 | 121.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D206 | D206-A208 PolarHBondContact O-N 3.22Š| |||
| 209 | G | 29.1 | Very low | 43.9 | Very low | 83 Ų | 83 | 112.7 Ų | 112.7 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | 108 | 95.8 | 129 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 210 | A | 31.5 | Very low | 42 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | trans | -99.4 | -173.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 211 | P | 44.8 | Very low | 40.6 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | cis | -139.7 | -176.5 | -20.2 | 37.6 | -17.7 | 0 | 0 | 0 | 114.7 | ||||
| 212 | A | 26.8 | Very low | 39.6 | Very low | 87 Ų | 87 | 116.2 Ų | 116.2 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | trans | 92.8 | 131.5 | 133.8 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 213 | S | 27.9 | Very low | 39.2 | Very low | 117 Ų | 117 | 116 Ų | 116 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 90 | 108.8 | 143.9 | 60.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 214 | S | 35.1 | Very low | 39.8 | Very low | 113 Ų | 113 | 115.5 Ų | 115.5 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -56 | 158.2 | 150.9 | -41.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 215 | P | 41.1 | Very low | 41 | Very low | 112 Ų | 112 | 112.6 Ų | 112.6 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | -144.4 | 171.3 | 77.2 | 36.7 | -18.4 | 0 | 0 | 0 | 115.1 | |||||
| 216 | E | 27.8 | Very low | 42.6 | Very low | 189 Ų | 189 | 116 Ų | 116 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | 108.1 | 133.5 | 138.5 | -132.3 | 163.2 | 163.8 | 0 | 0 | 117.6 | ||||
| 217 | A | 32.6 | Very low | 44.8 | Very low | 88 Ų | 88 | 113.4 Ų | 113.4 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 146.2 | -150.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 218 | P | 41.8 | Very low | 47.2 | Very low | 117 Ų | 117 | 111.7 Ų | 111.7 | 76% | 0.76 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 144.5 | 167.4 | 31 | -30 | 0 | 0 | 0 | 109.7 | A220 | P218-A220 PolarHBondContact O-N 3.46Š|
| 219 | P | 42.3 | Very low | 49.6 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 131.6 | 174.8 | 28.5 | -33.3 | 0 | 0 | 0 | 108.4 | E221 | P219-E221 PolarHBondContact O-N 3.15Š|
| 220 | A | 43.9 | Very low | 52.4 | Low | 99 Ų | 99 | 112.5 Ų | 112.5 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | -68.3 | 77.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | P218 Q222 | P218-A220 PolarHBondContact O-N 3.46Å; A220-Q222 PolarHBondContact O-N 2.86Å | ||
| 221 | E | 47 | Very low | 55 | Low | 174 Ų | 174 | 113.1 Ų | 113.1 | 81% | 0.813 | 67% | 0.666 | S | S | * | * | trans | -66.9 | 94 | 154 | -71.5 | -171.3 | 168.4 | 0 | 0 | 105.7 | P219 D223 | P219-E221 PolarHBondContact O-N 3.15Å; E221-D223 PolarHBondContact O-N 3.42Å; E221-D223 VanDerWaalsContact O-N 3.15Å | ||
| 222 | Q | 51.2 | Low | 57.1 | Low | 122 Ų | 122 | 112.2 Ų | 112.2 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | trans | -57.9 | 119.7 | 167 | -76.4 | -179.3 | -21.3 | 0 | 0 | 107.4 | A220 P224 L227 | A220-Q222 PolarHBondContact O-N 2.86Å; Q222-P224 WeakPolarHBondContact O-CD 3.47Å; Q222-P224 VanDerWaalsContact O-N 3.15Å; Q222-L227 HydrophobicContact CB-CD1 3.89Å; Q222-L227 HydrophobicContact CB-CG 4.11Å; Q222-L227 VanDerWaalsContact OE1-CD2 3.28Å | ||
| 223 | D | 57.7 | Low | 60.2 | Low | 95 Ų | 95 | 116.1 Ų | 116.1 | 51% | 0.508 | 65% | 0.648 | S | S | . | * | trans | -54.9 | 118.8 | 174.9 | -165.7 | -13.1 | 0 | 0 | 0 | 107.9 | E221 V225 Q226 L227 | E221-D223 PolarHBondContact O-N 3.42Å; E221-D223 VanDerWaalsContact O-N 3.15Å; D223-V225 PolarHBondContact O-N 3.33Å; D223-Q226 HydrophobicContact CB-CB 4.37Å; D223-Q226 WeakPolarHBondContact O-CB 3.44Å; D223-Q226 PolarHBondContact O-N 3.04Å; D223-L227 PolarHBondContact O-N 3.01Å | ||
| 224 | P | 65.9 | Low | 63.1 | Low | 99 Ų | 99 | 113.5 Ų | 113.5 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -56 | -22.6 | -175.2 | 19.4 | -32.6 | 0 | 0 | 0 | 112.8 | Q222 K228 | Q222-P224 WeakPolarHBondContact O-CD 3.47Å; Q222-P224 VanDerWaalsContact O-N 3.15Å; P224-K228 WeakPolarHBondContact O-CB 3.25Å; P224-K228 PolarHBondContact O-N 3.23Å |
| 225 | V | 73.3 | Confident | 65.7 | Low | 94 Ų | 94 | 114 Ų | 114 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.6 | -39.8 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | D223 K228 T229 | D223-V225 PolarHBondContact O-N 3.33Å; V225-K228 PolarHBondContact O-N 2.98Å; V225-T229 PolarHBondContact O-N 3.22Å; V225-T229 PolarHBondContact O-OG1 3.46Å |
| 226 | Q | 79 | Confident | 68.1 | Low | 132 Ų | 132 | 111.4 Ų | 111.4 | 62% | 0.617 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.2 | -40 | -177.5 | -157.2 | 172.4 | 19.4 | 0 | 0 | 111.6 | D223 K228 T229 Q230 | D223-Q226 HydrophobicContact CB-CB 4.37Å; D223-Q226 WeakPolarHBondContact O-CB 3.44Å; D223-Q226 PolarHBondContact O-N 3.04Å; Q226-K228 VanDerWaalsContact C-N 3.33Å; Q226-T229 WeakPolarHBondContact CA-OG1 3.11Å; Q226-T229 PolarHBondContact O-N 3.04Å; Q226-T229 PolarHBondContact O-OG1 3.44Å; Q226-Q230 WeakPolarHBondContact O-CB 3.39Å; Q226-Q230 PolarHBondContact O-N 3.31Å |
| 227 | L | 78.6 | Confident | 71.3 | Confident | 75 Ų | 75 | 105.6 Ų | 105.6 | 39% | 0.393 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.8 | -39 | 171.6 | -82.7 | 173.4 | 0 | 0 | 0 | 112.4 | Q222 D223 Q230 L231 | Q222-L227 HydrophobicContact CB-CD1 3.89Å; Q222-L227 HydrophobicContact CB-CG 4.11Å; Q222-L227 VanDerWaalsContact OE1-CD2 3.28Å; D223-L227 PolarHBondContact O-N 3.01Å; L227-Q230 PolarHBondContact O-N 2.97Å; L227-L231 WeakPolarHBondContact O-CB 3.43Å; L227-L231 PolarHBondContact O-N 2.9Å |
| 228 | K | 80.5 | Confident | 74.2 | Confident | 131 Ų | 131 | 106 Ų | 106 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.3 | -45.7 | 178 | -170.5 | 177.1 | 179.2 | -174.7 | 0 | 111.8 | P224 V225 Q226 Q230 L231 E232 | P224-K228 WeakPolarHBondContact O-CB 3.25Å; P224-K228 PolarHBondContact O-N 3.23Å; V225-K228 PolarHBondContact O-N 2.98Å; Q226-K228 VanDerWaalsContact C-N 3.33Å; K228-Q230 VanDerWaalsContact C-N 3.29Å; K228-Q230 PolarHBondContact O-N 2.93Å; K228-L231 PolarHBondContact O-N 3.45Å; K228-E232 VanDerWaalsContact CE-OE1 3.27Å; K228-E232 WeakPolarHBondContact CE-OE1 3.38Å; K228-E232 WeakPolarHBondContact O-CG 3.39Å; K228-E232 PolarHBondContact O-N 2.9Å |
| 229 | T | 84.4 | Confident | 76.7 | Confident | 76 Ų | 76 | 106.8 Ų | 106.8 | 47% | 0.466 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64 | -34.9 | 175.2 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | V225 Q226 W233 | V225-T229 PolarHBondContact O-N 3.22Å; V225-T229 PolarHBondContact O-OG1 3.46Å; Q226-T229 WeakPolarHBondContact CA-OG1 3.11Å; Q226-T229 PolarHBondContact O-N 3.04Å; Q226-T229 PolarHBondContact O-OG1 3.44Å; T229-W233 WeakPolarHBondContact O-CB 3.35Å; T229-W233 PolarHBondContact O-N 3.49Å |
| 230 | Q | 88.3 | Confident | 79.1 | Confident | 116 Ų | 116 | 105.9 Ų | 105.9 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70 | -38.8 | 176.7 | -165.2 | 177.8 | -1.1 | 0 | 0 | 111.4 | Q226 L227 K228 W233 T234 | Q226-Q230 WeakPolarHBondContact O-CB 3.39Å; Q226-Q230 PolarHBondContact O-N 3.31Å; L227-Q230 PolarHBondContact O-N 2.97Å; K228-Q230 VanDerWaalsContact C-N 3.29Å; K228-Q230 PolarHBondContact O-N 2.93Å; Q230-W233 PolarHBondContact O-N 3.31Å; Q230-T234 WeakPolarHBondContact O-CG2 3.46Å; Q230-T234 PolarHBondContact O-N 3.29Å; Q230-T234 PolarHBondContact O-OG1 2.97Å |
| 231 | L | 86.1 | Confident | 81.4 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -48.9 | 175.2 | -170.9 | 72.3 | 0 | 0 | 0 | 111.2 | L227 K228 W233 T234 E235 | L227-L231 WeakPolarHBondContact O-CB 3.43Å; L227-L231 PolarHBondContact O-N 2.9Å; K228-L231 PolarHBondContact O-N 3.45Å; L231-W233 VanDerWaalsContact C-N 3.29Å; L231-W233 PolarHBondContact O-N 2.9Å; L231-T234 WeakPolarHBondContact CA-OG1 3.48Å; L231-T234 PolarHBondContact O-N 3.27Å; L231-T234 VanDerWaalsContact O-N 3.16Å; L231-T234 PolarHBondContact O-OG1 3.33Å; L231-E235 WeakPolarHBondContact O-CB 3.37Å; L231-E235 PolarHBondContact O-N 2.86Å |
| 232 | E | 88 | Confident | 83.6 | Confident | 102 Ų | 102 | 101.7 Ų | 101.7 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 176.5 | -72.7 | 169.9 | -174.1 | 0 | 0 | 111.5 | K228 E235 A236 | K228-E232 VanDerWaalsContact CE-OE1 3.27Å; K228-E232 WeakPolarHBondContact CE-OE1 3.38Å; K228-E232 WeakPolarHBondContact O-CG 3.39Å; K228-E232 PolarHBondContact O-N 2.9Å; E232-E235 PolarHBondContact O-N 3.36Å; E232-A236 WeakPolarHBondContact O-CB 3.34Å; E232-A236 PolarHBondContact O-N 3.46Å |
| 233 | W | 91.8 | Very high | 85.7 | Confident | 170 Ų | 170 | 99.2 Ų | 99.2 | 64% | 0.644 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.2 | -43 | 174.9 | -178.5 | 81.9 | 0 | 0 | 0 | 112.7 | T229 Q230 L231 E235 I237 | T229-W233 WeakPolarHBondContact O-CB 3.35Å; T229-W233 PolarHBondContact O-N 3.49Å; Q230-W233 PolarHBondContact O-N 3.31Å; L231-W233 VanDerWaalsContact C-N 3.29Å; L231-W233 PolarHBondContact O-N 2.9Å; W233-E235 VanDerWaalsContact C-N 3.34Å; W233-I237 HydrophobicContact CD2-CD1 3.64Å; W233-I237 HydrophobicContact CE3-CD1 3.7Å; W233-I237 HydrophobicContact CG-CD1 4.5Å; W233-I237 HydrophobicContact CH2-CD1 3.31Å; W233-I237 HydrophobicContact CZ2-CD1 3.24Å; W233-I237 HydrophobicContact CZ3-CD1 3.54Å; W233-I237 WeakPolarHBondContact O-CG1 3.41Å; W233-I237 PolarHBondContact O-N 3.48Å; W233-I237 VanDerWaalsContact O-N 3.16Å |
| 234 | T | 88.3 | Confident | 87.5 | Confident | 62 Ų | 62 | 99.6 Ų | 99.6 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -32.8 | 176.1 | 53.1 | 0 | 0 | 0 | 0 | 113 | Q230 L231 I237 L238 | Q230-T234 WeakPolarHBondContact O-CG2 3.46Å; Q230-T234 PolarHBondContact O-N 3.29Å; Q230-T234 PolarHBondContact O-OG1 2.97Å; L231-T234 WeakPolarHBondContact CA-OG1 3.48Å; L231-T234 PolarHBondContact O-N 3.27Å; L231-T234 VanDerWaalsContact O-N 3.16Å; L231-T234 PolarHBondContact O-OG1 3.33Å; T234-I237 PolarHBondContact O-N 3.36Å; T234-L238 WeakPolarHBondContact O-CB 3.08Å; T234-L238 PolarHBondContact O-N 2.95Å |
| 235 | E | 90 | Very high | 88.7 | Confident | 124 Ų | 124 | 101.4 Ų | 101.4 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.5 | -43.1 | 177.6 | -169.9 | 167 | -156 | 0 | 0 | 110.6 | L231 E232 W233 I237 L238 E239 | L231-E235 WeakPolarHBondContact O-CB 3.37Å; L231-E235 PolarHBondContact O-N 2.86Å; E232-E235 PolarHBondContact O-N 3.36Å; W233-E235 VanDerWaalsContact C-N 3.34Å; E235-I237 VanDerWaalsContact C-N 3.33Å; E235-I237 PolarHBondContact O-N 2.79Å; E235-L238 PolarHBondContact O-N 3.44Å; E235-E239 WeakPolarHBondContact O-CB 3.36Å; E235-E239 PolarHBondContact O-N 2.99Å |
| 236 | A | 93 | Very high | 89.8 | Confident | 57 Ų | 57 | 102.5 Ų | 102.5 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E232 E239 D240 | E232-A236 WeakPolarHBondContact O-CB 3.34Å; E232-A236 PolarHBondContact O-N 3.46Å; A236-E239 PolarHBondContact O-N 3.43Å; A236-D240 PolarHBondContact O-N 3.23Å |
| 237 | I | 94.5 | Very high | 90.6 | Very high | 66 Ų | 66 | 102.7 Ų | 102.7 | 34% | 0.338 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 175.3 | -71.2 | 170.7 | 0 | 0 | 0 | 111.2 | W233 T234 E235 E239 D240 E241 | W233-I237 HydrophobicContact CD2-CD1 3.64Å; W233-I237 HydrophobicContact CE3-CD1 3.7Å; W233-I237 HydrophobicContact CG-CD1 4.5Å; W233-I237 HydrophobicContact CH2-CD1 3.31Å; W233-I237 HydrophobicContact CZ2-CD1 3.24Å; W233-I237 HydrophobicContact CZ3-CD1 3.54Å; W233-I237 WeakPolarHBondContact O-CG1 3.41Å; W233-I237 PolarHBondContact O-N 3.48Å; W233-I237 VanDerWaalsContact O-N 3.16Å; T234-I237 PolarHBondContact O-N 3.36Å; E235-I237 VanDerWaalsContact C-N 3.33Å; E235-I237 PolarHBondContact O-N 2.79Å; I237-E239 VanDerWaalsContact C-N 3.29Å; I237-E239 PolarHBondContact O-N 3.48Å; I237-D240 PolarHBondContact O-N 3.37Å; I237-E241 PolarHBondContact O-N 3.33Å |
| 238 | L | 92.8 | Very high | 91.5 | Very high | 98 Ų | 98 | 104.2 Ų | 104.2 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 178.7 | -174.5 | 65.6 | 0 | 0 | 0 | 111.4 | T234 E235 Q242 | T234-L238 WeakPolarHBondContact O-CB 3.08Å; T234-L238 PolarHBondContact O-N 2.95Å; E235-L238 PolarHBondContact O-N 3.44Å; L238-Q242 VanDerWaalsContact O-CB 3.29Å; L238-Q242 WeakPolarHBondContact O-CB 3.48Å; L238-Q242 PolarHBondContact O-N 2.86Å |
| 239 | E | 94.8 | Very high | 92.2 | Very high | 133 Ų | 133 | 101.6 Ų | 101.6 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.4 | -46 | 174.8 | -167.5 | 170.4 | -163.4 | 0 | 0 | 111.2 | E235 A236 I237 E241 Q242 T243 | E235-E239 WeakPolarHBondContact O-CB 3.36Å; E235-E239 PolarHBondContact O-N 2.99Å; A236-E239 PolarHBondContact O-N 3.43Å; I237-E239 VanDerWaalsContact C-N 3.29Å; I237-E239 PolarHBondContact O-N 3.48Å; E239-E241 PolarHBondContact O-N 3.05Å; E239-Q242 WeakPolarHBondContact O-CB 3.43Å; E239-Q242 PolarHBondContact O-N 3.3Å; E239-Q242 VanDerWaalsContact O-N 3.14Å; E239-T243 WeakPolarHBondContact O-CG2 3.36Å; E239-T243 PolarHBondContact O-N 2.92Å |
| 240 | D | 92.7 | Very high | 92.7 | Very high | 88 Ų | 88 | 100.7 Ų | 100.7 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 173.9 | -171.2 | 67.4 | 0 | 0 | 0 | 111.4 | A236 I237 Q242 T243 Q244 | A236-D240 PolarHBondContact O-N 3.23Å; I237-D240 PolarHBondContact O-N 3.37Å; D240-Q242 VanDerWaalsContact C-N 3.27Å; D240-Q242 PolarHBondContact O-N 3.47Å; D240-T243 PolarHBondContact O-N 3.17Å; D240-T243 VanDerWaalsContact O-N 3.17Å; D240-T243 PolarHBondContact O-OG1 3.11Å; D240-Q244 WeakPolarHBondContact O-CG 3.48Å; D240-Q244 PolarHBondContact O-N 2.89Å; D240-Q244 PolarHBondContact OD2-NE2 2.88Å |
| 241 | E | 92.8 | Very high | 93.1 | Very high | 78 Ų | 78 | 99.7 Ų | 99.7 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.9 | -38.9 | 174 | -78.3 | -163.1 | 175.6 | 0 | 0 | 112.5 | I237 E239 Q244 R245 | I237-E241 PolarHBondContact O-N 3.33Å; E239-E241 PolarHBondContact O-N 3.05Å; E241-Q244 PolarHBondContact O-N 3.49Å; E241-R245 WeakPolarHBondContact O-CB 3.47Å; E241-R245 VanDerWaalsContact O-CG 3.3Å; E241-R245 WeakPolarHBondContact O-CG 3.49Å; E241-R245 PolarHBondContact O-N 2.85Å; E241-R245 IonicContact OE2-CZ 3.21Å; E241-R245 IonicContact OE2-NH1 3.55Å; E241-R245 PolarHBondContact OE2-NH1 3.26Å; E241-R245 IonicContact OE2-NH2 3.7Å; E241-R245 PolarHBondContact OE2-NH2 3.41Å |
| 242 | Q | 93 | Very high | 93.6 | Very high | 107 Ų | 107 | 100.9 Ų | 100.9 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 178.5 | -178.6 | 166 | -20.4 | 0 | 0 | 111.4 | L238 E239 D240 R245 Q246 | L238-Q242 VanDerWaalsContact O-CB 3.29Å; L238-Q242 WeakPolarHBondContact O-CB 3.48Å; L238-Q242 PolarHBondContact O-N 2.86Å; E239-Q242 WeakPolarHBondContact O-CB 3.43Å; E239-Q242 PolarHBondContact O-N 3.3Å; E239-Q242 VanDerWaalsContact O-N 3.14Å; D240-Q242 VanDerWaalsContact C-N 3.27Å; D240-Q242 PolarHBondContact O-N 3.47Å; Q242-R245 PolarHBondContact O-N 3.36Å; Q242-Q246 WeakPolarHBondContact O-CG 3.35Å; Q242-Q246 PolarHBondContact O-N 3.23Å |
| 243 | T | 94.2 | Very high | 94 | Very high | 70 Ų | 70 | 101.4 Ų | 101.4 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 173.9 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | E239 D240 Q246 K247 | E239-T243 WeakPolarHBondContact O-CG2 3.36Å; E239-T243 PolarHBondContact O-N 2.92Å; D240-T243 PolarHBondContact O-N 3.17Å; D240-T243 VanDerWaalsContact O-N 3.17Å; D240-T243 PolarHBondContact O-OG1 3.11Å; T243-Q246 PolarHBondContact O-N 2.98Å; T243-K247 PolarHBondContact O-N 3.04Å |
| 244 | Q | 95 | Very high | 94.2 | Very high | 102 Ų | 102 | 99.8 Ų | 99.8 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.4 | -69.1 | -178.9 | 12.2 | 0 | 0 | 111.4 | D240 E241 Q246 K247 L248 | D240-Q244 WeakPolarHBondContact O-CG 3.48Å; D240-Q244 PolarHBondContact O-N 2.89Å; D240-Q244 PolarHBondContact OD2-NE2 2.88Å; E241-Q244 PolarHBondContact O-N 3.49Å; Q244-Q246 VanDerWaalsContact C-N 3.34Å; Q244-Q246 PolarHBondContact O-N 3.19Å; Q244-K247 PolarHBondContact O-N 3.34Å; Q244-L248 WeakPolarHBondContact O-CB 3.46Å; Q244-L248 WeakPolarHBondContact O-CD1 3.41Å; Q244-L248 PolarHBondContact O-N 2.92Å |
| 245 | R | 93 | Very high | 94.4 | Very high | 137 Ų | 137 | 99.6 Ų | 99.6 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 175.9 | -77 | 178.5 | -175.8 | 115.7 | 11 | 112.5 | E241 Q242 T249 | E241-R245 WeakPolarHBondContact O-CB 3.47Å; E241-R245 VanDerWaalsContact O-CG 3.3Å; E241-R245 WeakPolarHBondContact O-CG 3.49Å; E241-R245 PolarHBondContact O-N 2.85Å; E241-R245 IonicContact OE2-CZ 3.21Å; E241-R245 IonicContact OE2-NH1 3.55Å; E241-R245 PolarHBondContact OE2-NH1 3.26Å; E241-R245 IonicContact OE2-NH2 3.7Å; E241-R245 PolarHBondContact OE2-NH2 3.41Å; Q242-R245 PolarHBondContact O-N 3.36Å; R245-T249 WeakPolarHBondContact O-CB 3.49Å; R245-T249 PolarHBondContact O-N 3.02Å; R245-T249 PolarHBondContact O-OG1 3.29Å |
| 246 | Q | 95.6 | Very high | 94.7 | Very high | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 175.4 | -73.5 | 173.9 | -3.2 | 0 | 0 | 111.4 | Q242 T243 Q244 T249 A250 | Q242-Q246 WeakPolarHBondContact O-CG 3.35Å; Q242-Q246 PolarHBondContact O-N 3.23Å; T243-Q246 PolarHBondContact O-N 2.98Å; Q244-Q246 VanDerWaalsContact C-N 3.34Å; Q244-Q246 PolarHBondContact O-N 3.19Å; Q246-T249 PolarHBondContact O-N 2.97Å; Q246-A250 PolarHBondContact O-N 2.95Å |
| 247 | K | 96.4 | Very high | 94.8 | Very high | 136 Ų | 136 | 100.7 Ų | 100.7 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -47 | 176.5 | -175 | 179.2 | 174.1 | -173.8 | 0 | 112.1 | T243 Q244 T249 A250 E251 | T243-K247 PolarHBondContact O-N 3.04Å; Q244-K247 PolarHBondContact O-N 3.34Å; K247-T249 VanDerWaalsContact C-N 3.26Å; K247-T249 PolarHBondContact O-N 2.98Å; K247-A250 PolarHBondContact O-N 3.38Å; K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 WeakPolarHBondContact O-CG 3.3Å; K247-E251 PolarHBondContact O-N 3.25Å |
| 248 | L | 95.9 | Very high | 94.8 | Very high | 107 Ų | 107 | 100.4 Ų | 100.4 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.3 | -36.6 | 175.7 | -89.4 | 145.2 | 0 | 0 | 0 | 112.5 | Q244 F252 | Q244-L248 WeakPolarHBondContact O-CB 3.46Å; Q244-L248 WeakPolarHBondContact O-CD1 3.41Å; Q244-L248 PolarHBondContact O-N 2.92Å; L248-F252 WeakPolarHBondContact O-CB 3.47Å; L248-F252 PolarHBondContact O-N 3.41Å |
| 249 | T | 95.8 | Very high | 94.9 | Very high | 76 Ų | 76 | 98.3 Ų | 98.3 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 177.1 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | R245 Q246 K247 F252 E253 | R245-T249 WeakPolarHBondContact O-CB 3.49Å; R245-T249 PolarHBondContact O-N 3.02Å; R245-T249 PolarHBondContact O-OG1 3.29Å; Q246-T249 PolarHBondContact O-N 2.97Å; K247-T249 VanDerWaalsContact C-N 3.26Å; K247-T249 PolarHBondContact O-N 2.98Å; T249-F252 PolarHBondContact O-N 3.49Å; T249-E253 WeakPolarHBondContact O-CG 3.45Å; T249-E253 PolarHBondContact O-N 2.93Å |
| 250 | A | 95.4 | Very high | 94.9 | Very high | 56 Ų | 56 | 95.1 Ų | 95.1 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q246 K247 F252 E253 E254 | Q246-A250 PolarHBondContact O-N 2.95Å; K247-A250 PolarHBondContact O-N 3.38Å; A250-F252 VanDerWaalsContact C-N 3.31Å; A250-F252 PolarHBondContact O-N 2.81Å; A250-E253 PolarHBondContact O-N 3.01Å; A250-E254 PolarHBondContact O-N 3.15Å |
| 251 | E | 96.4 | Very high | 95.1 | Very high | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 176.1 | -71.7 | 175.4 | -175 | 0 | 0 | 111.9 | K247 E254 A255 | K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 WeakPolarHBondContact O-CG 3.3Å; K247-E251 PolarHBondContact O-N 3.25Å; E251-E254 PolarHBondContact O-N 3.39Å; E251-A255 WeakPolarHBondContact O-CB 3.36Å; E251-A255 PolarHBondContact O-N 2.88Å |
| 252 | F | 95.6 | Very high | 95.1 | Very high | 136 Ų | 136 | 99.2 Ų | 99.2 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 175.5 | 179.3 | -96.1 | 0 | 0 | 0 | 112.2 | L248 T249 A250 E254 A255 Q256 | L248-F252 WeakPolarHBondContact O-CB 3.47Å; L248-F252 PolarHBondContact O-N 3.41Å; T249-F252 PolarHBondContact O-N 3.49Å; A250-F252 VanDerWaalsContact C-N 3.31Å; A250-F252 PolarHBondContact O-N 2.81Å; F252-E254 VanDerWaalsContact C-N 3.35Å; F252-A255 PolarHBondContact O-N 3.43Å; F252-Q256 WeakPolarHBondContact O-CB 3.49Å; F252-Q256 PolarHBondContact O-N 3.34Å |
| 253 | E | 96.6 | Very high | 95.1 | Very high | 113 Ų | 113 | 99.6 Ų | 99.6 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 176.2 | -72.4 | 177.2 | 178.2 | 0 | 0 | 112 | T249 A250 Q256 T257 | T249-E253 WeakPolarHBondContact O-CG 3.45Å; T249-E253 PolarHBondContact O-N 2.93Å; A250-E253 PolarHBondContact O-N 3.01Å; E253-Q256 PolarHBondContact O-N 2.96Å; E253-T257 WeakPolarHBondContact O-CB 3.27Å; E253-T257 PolarHBondContact O-N 3.47Å; E253-T257 PolarHBondContact O-OG1 2.89Å |
| 254 | E | 95.9 | Very high | 95 | Very high | 135 Ų | 135 | 101.3 Ų | 101.3 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | 175.2 | -175.9 | 175.4 | -172.4 | 0 | 0 | 112.1 | A250 E251 F252 Q256 T257 S258 | A250-E254 PolarHBondContact O-N 3.15Å; E251-E254 PolarHBondContact O-N 3.39Å; F252-E254 VanDerWaalsContact C-N 3.35Å; E254-Q256 VanDerWaalsContact C-N 3.34Å; E254-Q256 PolarHBondContact O-N 2.95Å; E254-T257 PolarHBondContact O-N 3.47Å; E254-S258 WeakPolarHBondContact O-CB 3.48Å; E254-S258 PolarHBondContact O-N 2.74Å; E254-S258 PolarHBondContact O-OG 2.88Å |
| 255 | A | 92.6 | Very high | 94.8 | Very high | 58 Ų | 58 | 100.1 Ų | 100.1 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E251 F252 S258 A259 | E251-A255 WeakPolarHBondContact O-CB 3.36Å; E251-A255 PolarHBondContact O-N 2.88Å; F252-A255 PolarHBondContact O-N 3.43Å; A255-S258 PolarHBondContact O-N 3.17Å; A255-A259 WeakPolarHBondContact O-CB 3.32Å; A255-A259 PolarHBondContact O-N 2.93Å |
| 256 | Q | 95.9 | Very high | 94.4 | Very high | 109 Ų | 109 | 98.8 Ų | 98.8 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.7 | -174.1 | 176.8 | 29.1 | 0 | 0 | 111.4 | F252 E253 E254 S258 A259 C260 | F252-Q256 WeakPolarHBondContact O-CB 3.49Å; F252-Q256 PolarHBondContact O-N 3.34Å; E253-Q256 PolarHBondContact O-N 2.96Å; E254-Q256 VanDerWaalsContact C-N 3.34Å; E254-Q256 PolarHBondContact O-N 2.95Å; Q256-S258 VanDerWaalsContact C-N 3.33Å; Q256-S258 PolarHBondContact O-N 2.93Å; Q256-A259 PolarHBondContact O-N 3.33Å; Q256-C260 PolarHBondContact O-N 3.36Å; Q256-C260 PolarHBondContact O-SG 2.89Å |
| 257 | T | 95.6 | Very high | 94 | Very high | 95 Ų | 95 | 97.7 Ų | 97.7 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 177.6 | -55 | 0 | 0 | 0 | 0 | 111.4 | E253 E254 C260 R261 | E253-T257 WeakPolarHBondContact O-CB 3.27Å; E253-T257 PolarHBondContact O-N 3.47Å; E253-T257 PolarHBondContact O-OG1 2.89Å; E254-T257 PolarHBondContact O-N 3.47Å; T257-C260 PolarHBondContact O-N 3.49Å; T257-R261 PolarHBondContact O-N 3.31Å |
| 258 | S | 95.1 | Very high | 93.6 | Very high | 60 Ų | 60 | 97.2 Ų | 97.2 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | E254 A255 Q256 R261 L262 | E254-S258 WeakPolarHBondContact O-CB 3.48Å; E254-S258 PolarHBondContact O-N 2.74Å; E254-S258 PolarHBondContact O-OG 2.88Å; A255-S258 PolarHBondContact O-N 3.17Å; Q256-S258 VanDerWaalsContact C-N 3.33Å; Q256-S258 PolarHBondContact O-N 2.93Å; S258-R261 PolarHBondContact O-N 3.29Å; S258-L262 WeakPolarHBondContact O-CG 3.13Å; S258-L262 PolarHBondContact O-N 3.14Å |
| 259 | A | 93.9 | Very high | 92.8 | Very high | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A255 Q256 R261 L262 Q263 | A255-A259 WeakPolarHBondContact O-CB 3.32Å; A255-A259 PolarHBondContact O-N 2.93Å; Q256-A259 PolarHBondContact O-N 3.33Å; A259-R261 VanDerWaalsContact C-N 3.35Å; A259-R261 PolarHBondContact O-N 3.01Å; A259-L262 PolarHBondContact O-N 3.07Å; A259-Q263 WeakPolarHBondContact O-CB 3.5Å; A259-Q263 PolarHBondContact O-N 3Å |
| 260 | C | 94.7 | Very high | 92 | Very high | 65 Ų | 65 | 103.6 Ų | 103.6 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 173.8 | -71.6 | 0 | 0 | 0 | 0 | 111.7 | Q256 T257 L262 Q263 E264 | Q256-C260 PolarHBondContact O-N 3.36Å; Q256-C260 PolarHBondContact O-SG 2.89Å; T257-C260 PolarHBondContact O-N 3.49Å; C260-L262 PolarHBondContact O-N 3.31Å; C260-Q263 PolarHBondContact O-N 3.44Å; C260-E264 WeakPolarHBondContact O-CG 3.4Å; C260-E264 PolarHBondContact O-N 3.46Å |
| 261 | R | 96.8 | Very high | 91 | Very high | 158 Ų | 158 | 106.7 Ų | 106.7 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 177.5 | -161.6 | -174.1 | 102.3 | -164.7 | 1.6 | 112.2 | T257 S258 A259 Q263 E264 E265 | T257-R261 PolarHBondContact O-N 3.31Å; S258-R261 PolarHBondContact O-N 3.29Å; A259-R261 VanDerWaalsContact C-N 3.35Å; A259-R261 PolarHBondContact O-N 3.01Å; R261-Q263 VanDerWaalsContact C-N 3.31Å; R261-Q263 PolarHBondContact O-N 3.37Å; R261-E264 PolarHBondContact O-N 2.88Å; R261-E265 IonicContact CZ-OE1 2.62Å; R261-E265 IonicContact NE-OE1 2.69Å; R261-E265 PolarHBondContact NE-OE1 3.41Å; R261-E265 IonicContact NH2-OE1 3.1Å; R261-E265 PolarHBondContact NH2-OE1 2.92Å; R261-E265 WeakPolarHBondContact O-CG 3.33Å; R261-E265 PolarHBondContact O-N 2.9Å |
| 262 | L | 93.1 | Very high | 89.4 | Confident | 95 Ų | 95 | 105.6 Ų | 105.6 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 176.6 | -71.6 | 173.7 | 0 | 0 | 0 | 111.9 | S258 A259 C260 E265 L266 | S258-L262 WeakPolarHBondContact O-CG 3.13Å; S258-L262 PolarHBondContact O-N 3.14Å; A259-L262 PolarHBondContact O-N 3.07Å; C260-L262 PolarHBondContact O-N 3.31Å; L262-E265 PolarHBondContact O-N 2.86Å; L262-L266 WeakPolarHBondContact O-CB 3.27Å; L262-L266 WeakPolarHBondContact O-CG 3.37Å; L262-L266 PolarHBondContact O-N 2.95Å |
| 263 | Q | 92.7 | Very high | 87.1 | Confident | 114 Ų | 114 | 100.5 Ų | 100.5 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.1 | -174.5 | 169.8 | -7.1 | 0 | 0 | 111.5 | A259 C260 R261 L266 E267 | A259-Q263 WeakPolarHBondContact O-CB 3.5Å; A259-Q263 PolarHBondContact O-N 3Å; C260-Q263 PolarHBondContact O-N 3.44Å; R261-Q263 VanDerWaalsContact C-N 3.31Å; R261-Q263 PolarHBondContact O-N 3.37Å; Q263-L266 PolarHBondContact O-N 3.05Å; Q263-E267 WeakPolarHBondContact O-CB 3.4Å; Q263-E267 WeakPolarHBondContact O-CG 3.34Å; Q263-E267 PolarHBondContact O-N 3.08Å |
| 264 | E | 92.5 | Very high | 85 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 172.9 | -71.6 | 178.3 | -168.2 | 0 | 0 | 112.4 | C260 R261 E267 K268 | C260-E264 WeakPolarHBondContact O-CG 3.4Å; C260-E264 PolarHBondContact O-N 3.46Å; R261-E264 PolarHBondContact O-N 2.88Å; E264-E267 PolarHBondContact O-N 3.31Å; E264-K268 WeakPolarHBondContact O-CB 3.38Å; E264-K268 VanDerWaalsContact O-CG 3.27Å; E264-K268 WeakPolarHBondContact O-CG 3.42Å; E264-K268 PolarHBondContact O-N 2.82Å |
| 265 | E | 91.4 | Very high | 82.9 | Confident | 76 Ų | 76 | 98.9 Ų | 98.9 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.1 | -73.9 | 174.5 | -160.3 | 0 | 0 | 111.4 | R261 L262 K268 L269 | R261-E265 IonicContact CZ-OE1 2.62Å; R261-E265 IonicContact NE-OE1 2.69Å; R261-E265 PolarHBondContact NE-OE1 3.41Å; R261-E265 IonicContact NH2-OE1 3.1Å; R261-E265 PolarHBondContact NH2-OE1 2.92Å; R261-E265 WeakPolarHBondContact O-CG 3.33Å; R261-E265 PolarHBondContact O-N 2.9Å; L262-E265 PolarHBondContact O-N 2.86Å; E265-K268 WeakPolarHBondContact O-CB 3.29Å; E265-K268 PolarHBondContact O-N 2.93Å; E265-L269 WeakPolarHBondContact O-CG 3.38Å; E265-L269 PolarHBondContact O-N 3.3Å |
| 266 | L | 85.6 | Confident | 80.9 | Confident | 110 Ų | 110 | 102.4 Ų | 102.4 | 58% | 0.576 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.2 | -39 | 174.2 | -75.1 | 174.5 | 0 | 0 | 0 | 112.4 | L262 Q263 L269 R270 | L262-L266 WeakPolarHBondContact O-CB 3.27Å; L262-L266 WeakPolarHBondContact O-CG 3.37Å; L262-L266 PolarHBondContact O-N 2.95Å; Q263-L266 PolarHBondContact O-N 3.05Å; L266-L269 PolarHBondContact O-N 3.05Å; L266-R270 VanDerWaalsContact O-CB 3.25Å; L266-R270 WeakPolarHBondContact O-CB 3.43Å; L266-R270 PolarHBondContact O-N 3.47Å |
| 267 | E | 87.1 | Confident | 78.9 | Confident | 94 Ų | 94 | 101.5 Ų | 101.5 | 44% | 0.439 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 174.5 | -76.1 | -179.2 | -175.5 | 0 | 0 | 111.8 | Q263 E264 R270 T271 | Q263-E267 WeakPolarHBondContact O-CB 3.4Å; Q263-E267 WeakPolarHBondContact O-CG 3.34Å; Q263-E267 PolarHBondContact O-N 3.08Å; E264-E267 PolarHBondContact O-N 3.31Å; E267-R270 PolarHBondContact O-N 3.33Å; E267-T271 WeakPolarHBondContact O-CB 3.33Å; E267-T271 VanDerWaalsContact O-CG2 3.31Å; E267-T271 WeakPolarHBondContact O-CG2 3.24Å; E267-T271 PolarHBondContact O-N 3.32Å; E267-T271 PolarHBondContact O-OG1 2.89Å |
| 268 | K | 87.7 | Confident | 77.1 | Confident | 126 Ų | 126 | 99.3 Ų | 99.3 | 55% | 0.548 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 171 | -76.6 | 167.2 | -173.6 | 161.7 | 0 | 111.6 | E264 E265 R270 T271 A272 | E264-K268 WeakPolarHBondContact O-CB 3.38Å; E264-K268 VanDerWaalsContact O-CG 3.27Å; E264-K268 WeakPolarHBondContact O-CG 3.42Å; E264-K268 PolarHBondContact O-N 2.82Å; E265-K268 WeakPolarHBondContact O-CB 3.29Å; E265-K268 PolarHBondContact O-N 2.93Å; K268-R270 VanDerWaalsContact C-N 3.33Å; K268-T271 WeakPolarHBondContact CA-OG1 3.39Å; K268-T271 PolarHBondContact O-N 2.9Å; K268-T271 PolarHBondContact O-OG1 3.23Å; K268-A272 WeakPolarHBondContact O-CA 3.39Å; K268-A272 WeakPolarHBondContact O-CB 3.4Å; K268-A272 PolarHBondContact O-N 2.94Å |
| 269 | L | 78.5 | Confident | 75.6 | Confident | 126 Ų | 126 | 102.4 Ų | 102.4 | 66% | 0.66 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.3 | -32.9 | 175.5 | -69 | 172.1 | 0 | 0 | 0 | 112.3 | E265 L266 A272 | E265-L269 WeakPolarHBondContact O-CG 3.38Å; E265-L269 PolarHBondContact O-N 3.3Å; L266-L269 PolarHBondContact O-N 3.05Å; L269-A272 CarbonylContact O-C 3.43Å |
| 270 | R | 79.4 | Confident | 74.4 | Confident | 191 Ų | 191 | 103.4 Ų | 103.4 | 72% | 0.721 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.8 | -36 | 175.8 | -174.2 | -176.4 | -70.8 | 160.7 | -2 | 112.8 | L266 E267 K268 G273 | L266-R270 VanDerWaalsContact O-CB 3.25Å; L266-R270 WeakPolarHBondContact O-CB 3.43Å; L266-R270 PolarHBondContact O-N 3.47Å; E267-R270 PolarHBondContact O-N 3.33Å; K268-R270 VanDerWaalsContact C-N 3.33Å; R270-G273 WeakPolarHBondContact O-CA 3.39Å; R270-G273 PolarHBondContact O-N 3.48Å; R270-G273 VanDerWaalsContact O-N 3.15Å |
| 271 | T | 73.1 | Confident | 73.4 | Confident | 121 Ų | 121 | 105.9 Ų | 105.9 | 74% | 0.742 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -84.2 | -29.8 | 178.2 | 52 | 0 | 0 | 0 | 0 | 112.6 | E267 K268 G273 | E267-T271 WeakPolarHBondContact O-CB 3.33Å; E267-T271 VanDerWaalsContact O-CG2 3.31Å; E267-T271 WeakPolarHBondContact O-CG2 3.24Å; E267-T271 PolarHBondContact O-N 3.32Å; E267-T271 PolarHBondContact O-OG1 2.89Å; K268-T271 WeakPolarHBondContact CA-OG1 3.39Å; K268-T271 PolarHBondContact O-N 2.9Å; K268-T271 PolarHBondContact O-OG1 3.23Å; T271-G273 PolarHBondContact O-N 3.45Å |
| 272 | A | 63.9 | Low | 72.4 | Confident | 74 Ų | 74 | 103 Ų | 103 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 27.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K268 L269 | K268-A272 WeakPolarHBondContact O-CA 3.39Å; K268-A272 WeakPolarHBondContact O-CB 3.4Å; K268-A272 PolarHBondContact O-N 2.94Å; L269-A272 CarbonylContact O-C 3.43Å |
| 273 | G | 47.5 | Very low | 71.6 | Confident | 29 Ų | 29 | 101.3 Ų | 101.3 | 30% | 0.299 | 54% | 0.541 | S | S | . | . | trans | -51.8 | 165.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R270 T271 L275 | R270-G273 WeakPolarHBondContact O-CA 3.39Å; R270-G273 PolarHBondContact O-N 3.48Å; R270-G273 VanDerWaalsContact O-N 3.15Å; T271-G273 PolarHBondContact O-N 3.45Å; G273-L275 PolarHBondContact O-N 3.42Å | ||
| 274 | P | 51.3 | Low | 70.9 | Confident | 104 Ų | 104 | 99 Ų | 99 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | trans | -57.6 | 132.5 | -147.6 | -21.6 | 30.2 | 0 | 0 | 0 | 112.3 | E276 | P274-E276 HydrophobicContact CB-CB 3.7Å; P274-E276 HydrophobicContact CB-CG 3.14Å; P274-E276 HydrophobicContact CG-CG 3.99Å; P274-E276 PolarHBondContact O-N 3.16Å | ||
| 275 | L | 51.6 | Low | 70.7 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -61.4 | 23.9 | 154.5 | -93.5 | 129.7 | 0 | 0 | 0 | 112.2 | G273 S277 S278 E279 | G273-L275 PolarHBondContact O-N 3.42Å; L275-S277 PolarHBondContact O-N 3.43Å; L275-S278 PolarHBondContact O-N 2.82Å; L275-E279 HydrophobicContact CB-CG 4.2Å; L275-E279 PolarHBondContact O-N 3.21Å |
| 276 | E | 51.1 | Low | 70.4 | Confident | 133 Ų | 133 | 98.2 Ų | 98.2 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -60.2 | -16.5 | 176.8 | -73.3 | -118.1 | 156.2 | 0 | 0 | 112.2 | P274 T280 | P274-E276 HydrophobicContact CB-CB 3.7Å; P274-E276 HydrophobicContact CB-CG 3.14Å; P274-E276 HydrophobicContact CG-CG 3.99Å; P274-E276 PolarHBondContact O-N 3.16Å; E276-T280 WeakPolarHBondContact O-CB 3.37Å; E276-T280 PolarHBondContact O-OG1 3.13Å |
| 277 | S | 54.9 | Low | 70.7 | Confident | 90 Ų | 90 | 99.6 Ų | 99.6 | 63% | 0.629 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -79.7 | -38.3 | 171.2 | 65.7 | 0 | 0 | 0 | 0 | 112.6 | L275 E281 | L275-S277 PolarHBondContact O-N 3.43Å; S277-E281 WeakPolarHBondContact O-CB 3.29Å |
| 278 | S | 57.4 | Low | 71 | Confident | 49 Ų | 49 | 99.9 Ų | 99.9 | 34% | 0.343 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -83.3 | -49 | -179.5 | -152 | 0 | 0 | 0 | 0 | 110.8 | L275 E281 E282 | L275-S278 PolarHBondContact O-N 2.82Å; S278-E281 PolarHBondContact O-N 2.87Å; S278-E282 WeakPolarHBondContact O-CB 3.44Å; S278-E282 WeakPolarHBondContact O-CG 3.47Å; S278-E282 PolarHBondContact O-N 2.8Å; S278-E282 PolarHBondContact OG-OE1 3.27Å |
| 279 | E | 63.8 | Low | 71.4 | Confident | 125 Ų | 125 | 101.3 Ų | 101.3 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.4 | -39.3 | -174.4 | -68.5 | 178.2 | 168 | 0 | 0 | 112.1 | L275 A283 | L275-E279 HydrophobicContact CB-CG 4.2Å; L275-E279 PolarHBondContact O-N 3.21Å; E279-A283 VanDerWaalsContact O-CB 3.23Å; E279-A283 WeakPolarHBondContact O-CB 3.44Å; E279-A283 PolarHBondContact O-N 2.9Å |
| 280 | T | 68.9 | Low | 72.1 | Confident | 75 Ų | 75 | 99.3 Ų | 99.3 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72 | -35.8 | 177.5 | -42.3 | 0 | 0 | 0 | 0 | 111.4 | E276 S284 | E276-T280 WeakPolarHBondContact O-CB 3.37Å; E276-T280 PolarHBondContact O-OG1 3.13Å; T280-S284 WeakPolarHBondContact O-CB 3.45Å; T280-S284 PolarHBondContact O-N 3.03Å |
| 281 | E | 72 | Confident | 72.8 | Confident | 117 Ų | 117 | 96.2 Ų | 96.2 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.2 | -41.3 | 176.1 | -166.9 | 160.1 | -170.6 | 0 | 0 | 110.9 | S277 S278 S284 Q285 | S277-E281 WeakPolarHBondContact O-CB 3.29Å; S278-E281 PolarHBondContact O-N 2.87Å; E281-S284 PolarHBondContact O-N 2.93Å; E281-S284 PolarHBondContact O-OG 3.38Å; E281-Q285 WeakPolarHBondContact O-CG 3.49Å; E281-Q285 PolarHBondContact O-N 3.04Å |
| 282 | E | 76.3 | Confident | 74 | Confident | 99 Ų | 99 | 96.1 Ų | 96.1 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 171.9 | -75.5 | 168.4 | -145 | 0 | 0 | 112.1 | S278 S284 Q285 L286 | S278-E282 WeakPolarHBondContact O-CB 3.44Å; S278-E282 WeakPolarHBondContact O-CG 3.47Å; S278-E282 PolarHBondContact O-N 2.8Å; S278-E282 PolarHBondContact OG-OE1 3.27Å; E282-S284 VanDerWaalsContact C-N 3.31Å; E282-S284 PolarHBondContact O-N 2.85Å; E282-Q285 PolarHBondContact O-N 3.35Å; E282-L286 WeakPolarHBondContact O-CB 3.39Å; E282-L286 WeakPolarHBondContact O-CG 3.35Å; E282-L286 PolarHBondContact O-N 2.93Å |
| 283 | A | 75.9 | Confident | 75.3 | Confident | 58 Ų | 58 | 98 Ų | 98 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E279 K287 | E279-A283 VanDerWaalsContact O-CB 3.23Å; E279-A283 WeakPolarHBondContact O-CB 3.44Å; E279-A283 PolarHBondContact O-N 2.9Å; A283-K287 WeakPolarHBondContact O-CB 3.41Å; A283-K287 PolarHBondContact O-N 3.44Å |
| 284 | S | 79.1 | Confident | 77.7 | Confident | 67 Ų | 67 | 103 Ų | 103 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 176.2 | 78.3 | 0 | 0 | 0 | 0 | 112.3 | T280 E281 E282 K287 E288 | T280-S284 WeakPolarHBondContact O-CB 3.45Å; T280-S284 PolarHBondContact O-N 3.03Å; E281-S284 PolarHBondContact O-N 2.93Å; E281-S284 PolarHBondContact O-OG 3.38Å; E282-S284 VanDerWaalsContact C-N 3.31Å; E282-S284 PolarHBondContact O-N 2.85Å; S284-K287 PolarHBondContact O-N 3.34Å; S284-E288 PolarHBondContact O-N 3.01Å; S284-E288 VanDerWaalsContact O-N 3.07Å |
| 285 | Q | 87.4 | Confident | 79.9 | Confident | 83 Ų | 83 | 104.9 Ų | 104.9 | 39% | 0.388 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 177 | -70.9 | 177.1 | 25 | 0 | 0 | 112.3 | E281 E282 K287 E288 R289 | E281-Q285 WeakPolarHBondContact O-CG 3.49Å; E281-Q285 PolarHBondContact O-N 3.04Å; E282-Q285 PolarHBondContact O-N 3.35Å; Q285-K287 VanDerWaalsContact C-N 3.33Å; Q285-E288 PolarHBondContact O-N 3.32Å; Q285-R289 WeakPolarHBondContact O-CG 3.38Å; Q285-R289 PolarHBondContact O-N 3.46Å |
| 286 | L | 85.7 | Confident | 82 | Confident | 83 Ų | 83 | 104.9 Ų | 104.9 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 174.9 | -75.3 | 170.6 | 0 | 0 | 0 | 111.4 | E282 R289 L290 | E282-L286 WeakPolarHBondContact O-CB 3.39Å; E282-L286 WeakPolarHBondContact O-CG 3.35Å; E282-L286 PolarHBondContact O-N 2.93Å; L286-R289 PolarHBondContact O-N 3.41Å; L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 PolarHBondContact O-N 3.17Å |
| 287 | K | 92.5 | Very high | 84.1 | Confident | 139 Ų | 139 | 102.6 Ų | 102.6 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 175.8 | -172.3 | 178.7 | 178.2 | -178.7 | 0 | 112.2 | A283 S284 Q285 L290 E291 | A283-K287 WeakPolarHBondContact O-CB 3.41Å; A283-K287 PolarHBondContact O-N 3.44Å; S284-K287 PolarHBondContact O-N 3.34Å; Q285-K287 VanDerWaalsContact C-N 3.33Å; K287-L290 PolarHBondContact O-N 2.88Å; K287-E291 PolarHBondContact O-N 3.18Å |
| 288 | E | 93.1 | Very high | 86.1 | Confident | 100 Ų | 100 | 101 Ų | 101 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 177.1 | -166.2 | -165.3 | 151.4 | 0 | 0 | 111.9 | S284 Q285 L290 E291 K292 | S284-E288 PolarHBondContact O-N 3.01Å; S284-E288 VanDerWaalsContact O-N 3.07Å; Q285-E288 PolarHBondContact O-N 3.32Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 2.79Å; E288-E291 PolarHBondContact O-N 3.16Å; E288-K292 WeakPolarHBondContact O-CG 3.36Å; E288-K292 PolarHBondContact O-N 2.95Å; E288-K292 VanDerWaalsContact OE1-CE 3.24Å; E288-K292 WeakPolarHBondContact OE1-CE 3.37Å; E288-K292 IonicContact OE1-NZ 3.85Å; E288-K292 PolarHBondContact OE1-NZ 3.43Å |
| 289 | R | 95.2 | Very high | 88 | Confident | 156 Ų | 156 | 101.8 Ų | 101.8 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 174.6 | -75.9 | -175.2 | 179.6 | 134.5 | 1 | 111.7 | Q285 L286 E291 K292 E293 | Q285-R289 WeakPolarHBondContact O-CG 3.38Å; Q285-R289 PolarHBondContact O-N 3.46Å; L286-R289 PolarHBondContact O-N 3.41Å; R289-E291 PolarHBondContact O-N 2.95Å; R289-K292 WeakPolarHBondContact O-CB 3.36Å; R289-K292 PolarHBondContact O-N 3.26Å; R289-E293 WeakPolarHBondContact O-CB 3.44Å; R289-E293 PolarHBondContact O-N 3.04Å |
| 290 | L | 94.1 | Very high | 89.6 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 44% | 0.44 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 177.4 | -177.9 | 66.7 | 0 | 0 | 0 | 112.2 | L286 K287 E288 E293 K294 | L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 PolarHBondContact O-N 3.17Å; K287-L290 PolarHBondContact O-N 2.88Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 2.79Å; L290-E293 PolarHBondContact O-N 3.37Å; L290-K294 HydrophobicContact CG-CD 4.45Å; L290-K294 WeakPolarHBondContact O-CB 3.33Å; L290-K294 WeakPolarHBondContact O-CG 3.32Å; L290-K294 PolarHBondContact O-N 3.37Å |
| 291 | E | 94.8 | Very high | 90.9 | Very high | 125 Ų | 125 | 99.8 Ų | 99.8 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 175.5 | -80.3 | -174.7 | 173.6 | 0 | 0 | 112.4 | K287 E288 R289 K294 K295 | K287-E291 PolarHBondContact O-N 3.18Å; E288-E291 PolarHBondContact O-N 3.16Å; R289-E291 PolarHBondContact O-N 2.95Å; E291-K294 PolarHBondContact O-N 3Å; E291-K295 WeakPolarHBondContact O-CB 3.44Å; E291-K295 PolarHBondContact O-N 2.9Å |
| 292 | K | 97.1 | Very high | 92.1 | Very high | 120 Ų | 120 | 99.7 Ų | 99.7 | 52% | 0.522 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.2 | -75.6 | 169.5 | 170.7 | 166.2 | 0 | 111.5 | E288 R289 K295 L296 | E288-K292 WeakPolarHBondContact O-CG 3.36Å; E288-K292 PolarHBondContact O-N 2.95Å; E288-K292 VanDerWaalsContact OE1-CE 3.24Å; E288-K292 WeakPolarHBondContact OE1-CE 3.37Å; E288-K292 IonicContact OE1-NZ 3.85Å; E288-K292 PolarHBondContact OE1-NZ 3.43Å; R289-K292 WeakPolarHBondContact O-CB 3.36Å; R289-K292 PolarHBondContact O-N 3.26Å; K292-K295 PolarHBondContact O-N 3.36Å; K292-L296 WeakPolarHBondContact O-CG 3.18Å; K292-L296 PolarHBondContact O-N 3.45Å |
| 293 | E | 91.8 | Very high | 93.1 | Very high | 112 Ų | 112 | 97 Ų | 97 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 177.8 | -170.4 | 180 | 175.9 | 0 | 0 | 112 | R289 L290 K295 L296 T297 | R289-E293 WeakPolarHBondContact O-CB 3.44Å; R289-E293 PolarHBondContact O-N 3.04Å; L290-E293 PolarHBondContact O-N 3.37Å; E293-K295 VanDerWaalsContact C-N 3.26Å; E293-K295 PolarHBondContact O-N 3Å; E293-L296 PolarHBondContact O-N 3.47Å; E293-T297 WeakPolarHBondContact O-CB 3.17Å; E293-T297 PolarHBondContact O-N 2.81Å; E293-T297 PolarHBondContact O-OG1 2.86Å; E293-T297 VanDerWaalsContact O-OG1 3.08Å |
| 294 | K | 96.9 | Very high | 94.1 | Very high | 135 Ų | 135 | 96.9 Ų | 96.9 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.4 | -41.2 | 173.6 | -78.7 | 176.2 | 177.8 | 176.6 | 0 | 112.1 | L290 E291 S298 | L290-K294 HydrophobicContact CG-CD 4.45Å; L290-K294 WeakPolarHBondContact O-CB 3.33Å; L290-K294 WeakPolarHBondContact O-CG 3.32Å; L290-K294 PolarHBondContact O-N 3.37Å; E291-K294 PolarHBondContact O-N 3Å; K294-S298 WeakPolarHBondContact O-CB 3.5Å; K294-S298 PolarHBondContact O-N 2.96Å |
| 295 | K | 97.4 | Very high | 94.9 | Very high | 143 Ų | 143 | 97.2 Ų | 97.2 | 62% | 0.622 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.5 | -48 | 177.2 | -172.6 | 177.8 | 178.5 | -178 | 0 | 111.6 | E291 K292 E293 T297 S298 D299 | E291-K295 WeakPolarHBondContact O-CB 3.44Å; E291-K295 PolarHBondContact O-N 2.9Å; K292-K295 PolarHBondContact O-N 3.36Å; E293-K295 VanDerWaalsContact C-N 3.26Å; E293-K295 PolarHBondContact O-N 3Å; K295-T297 PolarHBondContact O-N 3.22Å; K295-S298 WeakPolarHBondContact O-CB 3.34Å; K295-S298 PolarHBondContact O-N 3.4Å; K295-D299 PolarHBondContact O-N 3.44Å |
| 296 | L | 96.5 | Very high | 95.4 | Very high | 109 Ų | 109 | 101 Ų | 101 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -43.2 | 177.2 | -73.7 | 173.3 | 0 | 0 | 0 | 112.1 | K292 E293 S298 D299 L300 | K292-L296 WeakPolarHBondContact O-CG 3.18Å; K292-L296 PolarHBondContact O-N 3.45Å; E293-L296 PolarHBondContact O-N 3.47Å; L296-S298 VanDerWaalsContact C-N 3.31Å; L296-S298 PolarHBondContact O-N 3.19Å; L296-D299 PolarHBondContact O-N 3.05Å; L296-L300 WeakPolarHBondContact O-CB 3.49Å; L296-L300 WeakPolarHBondContact O-CG 3.46Å; L296-L300 PolarHBondContact O-N 2.87Å |
| 297 | T | 95.3 | Very high | 95.9 | Very high | 85 Ų | 85 | 102.7 Ų | 102.7 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 175.7 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | E293 K295 G301 | E293-T297 WeakPolarHBondContact O-CB 3.17Å; E293-T297 PolarHBondContact O-N 2.81Å; E293-T297 PolarHBondContact O-OG1 2.86Å; E293-T297 VanDerWaalsContact O-OG1 3.08Å; K295-T297 PolarHBondContact O-N 3.22Å; T297-G301 PolarHBondContact O-N 3.21Å |
| 298 | S | 96.9 | Very high | 96.1 | Very high | 56 Ų | 56 | 102.9 Ų | 102.9 | 39% | 0.392 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 173.8 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | K294 K295 L296 G301 R302 | K294-S298 WeakPolarHBondContact O-CB 3.5Å; K294-S298 PolarHBondContact O-N 2.96Å; K295-S298 WeakPolarHBondContact O-CB 3.34Å; K295-S298 PolarHBondContact O-N 3.4Å; L296-S298 VanDerWaalsContact C-N 3.31Å; L296-S298 PolarHBondContact O-N 3.19Å; S298-G301 PolarHBondContact O-N 3.03Å; S298-R302 PolarHBondContact O-N 3.44Å; S298-R302 PolarHBondContact OG-NH1 3.05Å |
| 299 | D | 97.9 | Very high | 96.4 | Very high | 66 Ų | 66 | 103.8 Ų | 103.8 | 35% | 0.353 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 177 | -79.8 | -39.5 | 0 | 0 | 0 | 111.9 | K295 L296 G301 R302 A303 | K295-D299 PolarHBondContact O-N 3.44Å; L296-D299 PolarHBondContact O-N 3.05Å; D299-G301 VanDerWaalsContact C-N 3.32Å; D299-G301 PolarHBondContact O-N 3.41Å; D299-R302 PolarHBondContact O-N 3.15Å; D299-R302 IonicContact OD1-CZ 3.77Å; D299-R302 IonicContact OD1-NE 2.64Å; D299-R302 IonicContact OD1-NH2 2.69Å; D299-R302 PolarHBondContact OD1-NH2 3.3Å; D299-A303 PolarHBondContact O-N 2.87Å |
| 300 | L | 96.6 | Very high | 96.5 | Very high | 122 Ų | 122 | 101.3 Ų | 101.3 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -42.1 | 173.4 | -79.1 | 167.8 | 0 | 0 | 0 | 111.3 | L296 R302 A303 A304 | L296-L300 WeakPolarHBondContact O-CB 3.49Å; L296-L300 WeakPolarHBondContact O-CG 3.46Å; L296-L300 PolarHBondContact O-N 2.87Å; L300-R302 PolarHBondContact O-N 3.35Å; L300-A303 PolarHBondContact O-N 2.96Å; L300-A304 WeakPolarHBondContact O-CB 3.38Å; L300-A304 PolarHBondContact O-N 2.9Å |
| 301 | G | 96.3 | Very high | 96.6 | Very high | 36 Ų | 36 | 101.9 Ų | 101.9 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.1 | -48.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | T297 S298 D299 A303 A304 T305 | T297-G301 PolarHBondContact O-N 3.21Å; S298-G301 PolarHBondContact O-N 3.03Å; D299-G301 VanDerWaalsContact C-N 3.32Å; D299-G301 PolarHBondContact O-N 3.41Å; G301-A303 PolarHBondContact O-N 3.4Å; G301-A304 PolarHBondContact O-N 2.88Å; G301-T305 PolarHBondContact O-N 3.02Å; G301-T305 VanDerWaalsContact O-N 3.08Å; G301-T305 PolarHBondContact O-OG1 3.21Å |
| 302 | R | 97.3 | Very high | 96.8 | Very high | 116 Ų | 116 | 102 Ų | 102 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.3 | -76.9 | -171.1 | -74.2 | -83.3 | 4 | 112.9 | S298 D299 L300 T305 R306 | S298-R302 PolarHBondContact O-N 3.44Å; S298-R302 PolarHBondContact OG-NH1 3.05Å; D299-R302 PolarHBondContact O-N 3.15Å; D299-R302 IonicContact OD1-CZ 3.77Å; D299-R302 IonicContact OD1-NE 2.64Å; D299-R302 IonicContact OD1-NH2 2.69Å; D299-R302 PolarHBondContact OD1-NH2 3.3Å; L300-R302 PolarHBondContact O-N 3.35Å; R302-T305 PolarHBondContact O-N 3.48Å; R302-R306 WeakPolarHBondContact O-CG 3.43Å; R302-R306 PolarHBondContact O-N 2.96Å; R302-R306 VanDerWaalsContact O-N 3.11Å |
| 303 | A | 97.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 99.5 Ų | 99.5 | 35% | 0.347 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D299 L300 G301 T305 R306 L307 | D299-A303 PolarHBondContact O-N 2.87Å; L300-A303 PolarHBondContact O-N 2.96Å; G301-A303 PolarHBondContact O-N 3.4Å; A303-T305 VanDerWaalsContact C-N 3.34Å; A303-T305 PolarHBondContact O-N 3.5Å; A303-R306 PolarHBondContact O-N 2.96Å; A303-L307 WeakPolarHBondContact O-CG 3.35Å; A303-L307 PolarHBondContact O-N 3.45Å |
| 304 | A | 96.4 | Very high | 97 | Very high | 56 Ų | 56 | 97.4 Ų | 97.4 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L300 G301 R306 L307 Q308 | L300-A304 WeakPolarHBondContact O-CB 3.38Å; L300-A304 PolarHBondContact O-N 2.9Å; G301-A304 PolarHBondContact O-N 2.88Å; A304-R306 PolarHBondContact O-N 3.48Å; A304-L307 PolarHBondContact O-N 3.29Å; A304-Q308 WeakPolarHBondContact O-CB 3.37Å; A304-Q308 PolarHBondContact O-N 2.9Å |
| 305 | T | 96.7 | Very high | 97 | Very high | 73 Ų | 73 | 96.7 Ų | 96.7 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.1 | -45.4 | 0 | 0 | 0 | 0 | 111.8 | G301 R302 A303 L307 Q308 E309 | G301-T305 PolarHBondContact O-N 3.02Å; G301-T305 VanDerWaalsContact O-N 3.08Å; G301-T305 PolarHBondContact O-OG1 3.21Å; R302-T305 PolarHBondContact O-N 3.48Å; A303-T305 VanDerWaalsContact C-N 3.34Å; A303-T305 PolarHBondContact O-N 3.5Å; T305-L307 PolarHBondContact O-N 3.43Å; T305-Q308 PolarHBondContact O-N 2.79Å; T305-E309 WeakPolarHBondContact O-CG 3.45Å; T305-E309 PolarHBondContact O-N 3.47Å |
| 306 | R | 97.4 | Very high | 97 | Very high | 162 Ų | 162 | 93.7 Ų | 93.7 | 61% | 0.611 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 176.9 | -72.3 | 178.4 | -175.3 | 152.7 | 0.5 | 112.6 | R302 A303 A304 Q308 E309 L310 | R302-R306 WeakPolarHBondContact O-CG 3.43Å; R302-R306 PolarHBondContact O-N 2.96Å; R302-R306 VanDerWaalsContact O-N 3.11Å; A303-R306 PolarHBondContact O-N 2.96Å; A304-R306 PolarHBondContact O-N 3.48Å; R306-Q308 VanDerWaalsContact C-N 3.3Å; R306-Q308 PolarHBondContact O-N 3.36Å; R306-E309 PolarHBondContact O-N 3.45Å; R306-L310 PolarHBondContact O-N 2.87Å |
| 307 | L | 97.1 | Very high | 97 | Very high | 120 Ų | 120 | 93.9 Ų | 93.9 | 63% | 0.628 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 175.9 | -74.4 | 173.6 | 0 | 0 | 0 | 111.3 | A303 A304 T305 L310 L311 | A303-L307 WeakPolarHBondContact O-CG 3.35Å; A303-L307 PolarHBondContact O-N 3.45Å; A304-L307 PolarHBondContact O-N 3.29Å; T305-L307 PolarHBondContact O-N 3.43Å; L307-L310 PolarHBondContact O-N 2.88Å; L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 3.43Å |
| 308 | Q | 96.9 | Very high | 97.1 | Very high | 143 Ų | 143 | 94.1 Ų | 94.1 | 67% | 0.668 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | 176.8 | -168.2 | 166.2 | 12.7 | 0 | 0 | 112.2 | A304 T305 R306 L311 K312 | A304-Q308 WeakPolarHBondContact O-CB 3.37Å; A304-Q308 PolarHBondContact O-N 2.9Å; T305-Q308 PolarHBondContact O-N 2.79Å; R306-Q308 VanDerWaalsContact C-N 3.3Å; R306-Q308 PolarHBondContact O-N 3.36Å; Q308-L311 PolarHBondContact O-N 3.15Å; Q308-K312 WeakPolarHBondContact O-CB 3.37Å; Q308-K312 PolarHBondContact O-N 2.96Å |
| 309 | E | 97.6 | Very high | 97.1 | Very high | 118 Ų | 118 | 93.7 Ų | 93.7 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 172.9 | -72.5 | 171.7 | 177.2 | 0 | 0 | 112 | T305 R306 L311 K312 T313 | T305-E309 WeakPolarHBondContact O-CG 3.45Å; T305-E309 PolarHBondContact O-N 3.47Å; R306-E309 PolarHBondContact O-N 3.45Å; E309-L311 VanDerWaalsContact C-N 3.34Å; E309-L311 PolarHBondContact O-N 3.35Å; E309-K312 PolarHBondContact O-N 3.28Å; E309-T313 WeakPolarHBondContact O-CG2 3.47Å; E309-T313 PolarHBondContact O-N 2.96Å; E309-T313 PolarHBondContact O-OG1 3.2Å |
| 310 | L | 98 | Very high | 97 | Very high | 105 Ų | 105 | 98.1 Ų | 98.1 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.3 | -93 | 149.7 | 0 | 0 | 0 | 112.5 | R306 L307 K312 T313 T314 | R306-L310 PolarHBondContact O-N 2.87Å; L307-L310 PolarHBondContact O-N 2.88Å; L310-K312 VanDerWaalsContact C-N 3.33Å; L310-T313 WeakPolarHBondContact CA-OG1 3.39Å; L310-T313 PolarHBondContact O-N 3.01Å; L310-T313 PolarHBondContact O-OG1 2.86Å; L310-T314 WeakPolarHBondContact O-CB 3.33Å; L310-T314 VanDerWaalsContact O-CG2 3.29Å; L310-T314 WeakPolarHBondContact O-CG2 3.28Å; L310-T314 PolarHBondContact O-N 3.48Å; L310-T314 PolarHBondContact O-OG1 2.86Å |
| 311 | L | 97.4 | Very high | 97 | Very high | 96 Ų | 96 | 98 Ų | 98 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 177.4 | -169.3 | 144.9 | 0 | 0 | 0 | 111.1 | L307 Q308 E309 T314 Q315 | L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 3.43Å; Q308-L311 PolarHBondContact O-N 3.15Å; E309-L311 VanDerWaalsContact C-N 3.34Å; E309-L311 PolarHBondContact O-N 3.35Å; L311-T314 WeakPolarHBondContact CA-OG1 3.48Å; L311-T314 PolarHBondContact O-OG1 3.42Å; L311-Q315 HydrophobicContact CD2-CG 4.27Å; L311-Q315 VanDerWaalsContact CD2-NE2 3.34Å; L311-Q315 WeakPolarHBondContact O-CB 3.39Å; L311-Q315 VanDerWaalsContact O-CG 3.3Å; L311-Q315 WeakPolarHBondContact O-CG 3.1Å; L311-Q315 PolarHBondContact O-N 3.48Å |
| 312 | K | 97.9 | Very high | 97 | Very high | 128 Ų | 128 | 102.8 Ų | 102.8 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.2 | -46.4 | 174.4 | -174.1 | -179.1 | 176.5 | -175.2 | 0 | 111.8 | Q308 E309 L310 T314 Q315 E316 | Q308-K312 WeakPolarHBondContact O-CB 3.37Å; Q308-K312 PolarHBondContact O-N 2.96Å; E309-K312 PolarHBondContact O-N 3.28Å; L310-K312 VanDerWaalsContact C-N 3.33Å; K312-T314 PolarHBondContact O-N 3.13Å; K312-Q315 PolarHBondContact O-N 3.21Å; K312-E316 VanDerWaalsContact CE-OE1 3.26Å; K312-E316 WeakPolarHBondContact CE-OE1 3.45Å; K312-E316 WeakPolarHBondContact O-CG 3.41Å; K312-E316 PolarHBondContact O-N 3.49Å |
| 313 | T | 96.9 | Very high | 97 | Very high | 67 Ų | 67 | 102 Ų | 102 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 179.9 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | E309 L310 E316 Q317 | E309-T313 WeakPolarHBondContact O-CG2 3.47Å; E309-T313 PolarHBondContact O-N 2.96Å; E309-T313 PolarHBondContact O-OG1 3.2Å; L310-T313 WeakPolarHBondContact CA-OG1 3.39Å; L310-T313 PolarHBondContact O-N 3.01Å; L310-T313 PolarHBondContact O-OG1 2.86Å; T313-E316 PolarHBondContact O-N 2.89Å; T313-Q317 WeakPolarHBondContact O-CG 3.45Å; T313-Q317 PolarHBondContact O-N 3.37Å |
| 314 | T | 96.3 | Very high | 96.9 | Very high | 68 Ų | 68 | 103.6 Ų | 103.6 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | 175.3 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | L310 L311 K312 Q317 L318 | L310-T314 WeakPolarHBondContact O-CB 3.33Å; L310-T314 VanDerWaalsContact O-CG2 3.29Å; L310-T314 WeakPolarHBondContact O-CG2 3.28Å; L310-T314 PolarHBondContact O-N 3.48Å; L310-T314 PolarHBondContact O-OG1 2.86Å; L311-T314 WeakPolarHBondContact CA-OG1 3.48Å; L311-T314 PolarHBondContact O-OG1 3.42Å; K312-T314 PolarHBondContact O-N 3.13Å; T314-Q317 PolarHBondContact O-N 2.89Å; T314-L318 WeakPolarHBondContact O-CB 3.45Å; T314-L318 PolarHBondContact O-N 3.49Å |
| 315 | Q | 97.1 | Very high | 96.9 | Very high | 119 Ų | 119 | 104.6 Ų | 104.6 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | 171.3 | -78.8 | 179.6 | -8.5 | 0 | 0 | 112.2 | L311 K312 L318 A319 | L311-Q315 HydrophobicContact CD2-CG 4.27Å; L311-Q315 VanDerWaalsContact CD2-NE2 3.34Å; L311-Q315 WeakPolarHBondContact O-CB 3.39Å; L311-Q315 VanDerWaalsContact O-CG 3.3Å; L311-Q315 WeakPolarHBondContact O-CG 3.1Å; L311-Q315 PolarHBondContact O-N 3.48Å; K312-Q315 PolarHBondContact O-N 3.21Å; Q315-L318 PolarHBondContact O-N 3.39Å; Q315-A319 WeakPolarHBondContact O-CB 3.47Å; Q315-A319 PolarHBondContact O-N 3.01Å |
| 316 | E | 96.9 | Very high | 96.8 | Very high | 81 Ų | 81 | 106.9 Ų | 106.9 | 38% | 0.379 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 175.5 | -73.3 | 174.7 | -166.2 | 0 | 0 | 112 | K312 T313 A319 R320 | K312-E316 VanDerWaalsContact CE-OE1 3.26Å; K312-E316 WeakPolarHBondContact CE-OE1 3.45Å; K312-E316 WeakPolarHBondContact O-CG 3.41Å; K312-E316 PolarHBondContact O-N 3.49Å; T313-E316 PolarHBondContact O-N 2.89Å; E316-A319 PolarHBondContact O-N 2.88Å; E316-R320 WeakPolarHBondContact O-CG 3.46Å; E316-R320 PolarHBondContact O-N 2.88Å; E316-R320 VanDerWaalsContact O-N 3.11Å |
| 317 | Q | 96.8 | Very high | 96.7 | Very high | 113 Ų | 113 | 105.6 Ų | 105.6 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 174.4 | -77.7 | 178.2 | -28.8 | 0 | 0 | 111.8 | T313 T314 A319 R320 E321 | T313-Q317 WeakPolarHBondContact O-CG 3.45Å; T313-Q317 PolarHBondContact O-N 3.37Å; T314-Q317 PolarHBondContact O-N 2.89Å; Q317-A319 VanDerWaalsContact C-N 3.3Å; Q317-A319 PolarHBondContact O-N 2.91Å; Q317-R320 WeakPolarHBondContact O-CB 3.3Å; Q317-R320 PolarHBondContact O-N 3.47Å; Q317-R320 VanDerWaalsContact O-N 3.13Å; Q317-E321 PolarHBondContact O-N 3.38Å |
| 318 | L | 97.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 105.1 Ų | 105.1 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 177.8 | -177.3 | 66.2 | 0 | 0 | 0 | 112 | T314 Q315 E321 K322 | T314-L318 WeakPolarHBondContact O-CB 3.45Å; T314-L318 PolarHBondContact O-N 3.49Å; Q315-L318 PolarHBondContact O-N 3.39Å; L318-E321 PolarHBondContact O-N 2.89Å; L318-K322 WeakPolarHBondContact O-CG 3.49Å; L318-K322 PolarHBondContact O-N 3.26Å |
| 319 | A | 96.8 | Very high | 96.3 | Very high | 48 Ų | 48 | 103.9 Ų | 103.9 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q315 E316 Q317 E321 K322 D323 | Q315-A319 WeakPolarHBondContact O-CB 3.47Å; Q315-A319 PolarHBondContact O-N 3.01Å; E316-A319 PolarHBondContact O-N 2.88Å; Q317-A319 VanDerWaalsContact C-N 3.3Å; Q317-A319 PolarHBondContact O-N 2.91Å; A319-E321 PolarHBondContact O-N 2.93Å; A319-K322 PolarHBondContact O-N 3.3Å; A319-D323 PolarHBondContact O-N 3.25Å |
| 320 | R | 97 | Very high | 96 | Very high | 158 Ų | 158 | 102.9 Ų | 102.9 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 175.9 | -69.2 | 173.4 | -169.1 | 163.7 | 9.2 | 112 | E316 Q317 D323 T324 | E316-R320 WeakPolarHBondContact O-CG 3.46Å; E316-R320 PolarHBondContact O-N 2.88Å; E316-R320 VanDerWaalsContact O-N 3.11Å; Q317-R320 WeakPolarHBondContact O-CB 3.3Å; Q317-R320 PolarHBondContact O-N 3.47Å; Q317-R320 VanDerWaalsContact O-N 3.13Å; R320-D323 PolarHBondContact O-N 2.82Å; R320-T324 WeakPolarHBondContact O-CG2 3.35Å; R320-T324 PolarHBondContact O-N 3.42Å; R320-T324 PolarHBondContact O-OG1 2.87Å |
| 321 | E | 95.4 | Very high | 95.7 | Very high | 121 Ų | 121 | 103.8 Ų | 103.8 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 176.3 | -75.1 | -175.8 | 170.6 | 0 | 0 | 112.3 | Q317 L318 A319 D323 T324 V325 | Q317-E321 PolarHBondContact O-N 3.38Å; L318-E321 PolarHBondContact O-N 2.89Å; A319-E321 PolarHBondContact O-N 2.93Å; E321-D323 VanDerWaalsContact C-N 3.29Å; E321-D323 PolarHBondContact O-N 3.38Å; E321-T324 WeakPolarHBondContact CA-OG1 3.46Å; E321-T324 PolarHBondContact O-N 3.33Å; E321-T324 PolarHBondContact O-OG1 2.87Å; E321-V325 WeakPolarHBondContact O-CB 3.42Å; E321-V325 VanDerWaalsContact O-CG2 3.28Å; E321-V325 WeakPolarHBondContact O-CG2 3.34Å; E321-V325 PolarHBondContact O-N 2.87Å |
| 322 | K | 96.5 | Very high | 95.1 | Very high | 136 Ų | 136 | 104.5 Ų | 104.5 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 173.2 | -76.3 | 178.7 | 177.5 | -177.7 | 0 | 111.6 | L318 A319 K326 | L318-K322 WeakPolarHBondContact O-CG 3.49Å; L318-K322 PolarHBondContact O-N 3.26Å; A319-K322 PolarHBondContact O-N 3.3Å; K322-K326 WeakPolarHBondContact O-CB 3.44Å; K322-K326 PolarHBondContact O-N 3.25Å |
| 323 | D | 96.6 | Very high | 94.4 | Very high | 99 Ų | 99 | 105.4 Ų | 105.4 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 176.7 | -75.2 | -14.8 | 0 | 0 | 0 | 112.6 | A319 R320 E321 K327 | A319-D323 PolarHBondContact O-N 3.25Å; R320-D323 PolarHBondContact O-N 2.82Å; E321-D323 VanDerWaalsContact C-N 3.29Å; E321-D323 PolarHBondContact O-N 3.38Å; D323-K327 WeakPolarHBondContact O-CG 3.42Å; D323-K327 PolarHBondContact O-N 2.85Å; D323-K327 VanDerWaalsContact O-N 3.1Å |
| 324 | T | 95.9 | Very high | 93.5 | Very high | 75 Ų | 75 | 110 Ų | 110 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.1 | -43.3 | 175.7 | 55.7 | 0 | 0 | 0 | 0 | 111.7 | R320 E321 K326 K327 L328 | R320-T324 WeakPolarHBondContact O-CG2 3.35Å; R320-T324 PolarHBondContact O-N 3.42Å; R320-T324 PolarHBondContact O-OG1 2.87Å; E321-T324 WeakPolarHBondContact CA-OG1 3.46Å; E321-T324 PolarHBondContact O-N 3.33Å; E321-T324 PolarHBondContact O-OG1 2.87Å; T324-K326 VanDerWaalsContact C-N 3.33Å; T324-K326 PolarHBondContact O-N 3.4Å; T324-K327 PolarHBondContact O-N 3Å; T324-L328 WeakPolarHBondContact O-CG 2.87Å; T324-L328 PolarHBondContact O-N 3.49Å |
| 325 | V | 96.1 | Very high | 92.5 | Very high | 77 Ų | 77 | 113.1 Ų | 113.1 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 175.2 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | E321 K327 L328 Q329 | E321-V325 WeakPolarHBondContact O-CB 3.42Å; E321-V325 VanDerWaalsContact O-CG2 3.28Å; E321-V325 WeakPolarHBondContact O-CG2 3.34Å; E321-V325 PolarHBondContact O-N 2.87Å; V325-K327 PolarHBondContact O-N 2.86Å; V325-L328 PolarHBondContact O-N 3.46Å; V325-Q329 PolarHBondContact O-N 3.3Å |
| 326 | K | 96.1 | Very high | 90.8 | Very high | 122 Ų | 122 | 112.5 Ų | 112.5 | 53% | 0.53 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 177.1 | -171.9 | 179.1 | 177.3 | -176.6 | 0 | 112.1 | K322 T324 L328 Q329 E330 | K322-K326 WeakPolarHBondContact O-CB 3.44Å; K322-K326 PolarHBondContact O-N 3.25Å; T324-K326 VanDerWaalsContact C-N 3.33Å; T324-K326 PolarHBondContact O-N 3.4Å; K326-L328 VanDerWaalsContact C-N 3.34Å; K326-L328 PolarHBondContact O-N 2.77Å; K326-Q329 PolarHBondContact O-N 2.83Å; K326-E330 WeakPolarHBondContact CE-OE1 3.46Å; K326-E330 WeakPolarHBondContact O-CG 3.49Å; K326-E330 PolarHBondContact O-N 3.11Å |
| 327 | K | 95.1 | Very high | 89 | Confident | 135 Ų | 135 | 111 Ų | 111 | 59% | 0.587 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62 | -39.8 | 175.1 | -75.4 | 174.3 | -177.9 | 174.3 | 0 | 112.6 | D323 T324 V325 E330 Q331 | D323-K327 WeakPolarHBondContact O-CG 3.42Å; D323-K327 PolarHBondContact O-N 2.85Å; D323-K327 VanDerWaalsContact O-N 3.1Å; T324-K327 PolarHBondContact O-N 3Å; V325-K327 PolarHBondContact O-N 2.86Å; K327-E330 PolarHBondContact O-N 2.96Å; K327-Q331 WeakPolarHBondContact O-CG 3.46Å; K327-Q331 PolarHBondContact O-N 2.76Å |
| 328 | L | 94.3 | Very high | 87 | Confident | 109 Ų | 109 | 109.2 Ų | 109.2 | 57% | 0.571 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | 176.9 | -70.1 | 172.3 | 0 | 0 | 0 | 111.6 | T324 V325 K326 Q331 L332 | T324-L328 WeakPolarHBondContact O-CG 2.87Å; T324-L328 PolarHBondContact O-N 3.49Å; V325-L328 PolarHBondContact O-N 3.46Å; K326-L328 VanDerWaalsContact C-N 3.34Å; K326-L328 PolarHBondContact O-N 2.77Å; L328-Q331 PolarHBondContact O-N 3.46Å; L328-L332 PolarHBondContact O-N 3.28Å |
| 329 | Q | 90.9 | Very high | 84.8 | Confident | 118 Ų | 118 | 108.9 Ų | 108.9 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.2 | -46.5 | 172.7 | -78.4 | 176.9 | -36.7 | 0 | 0 | 111.8 | V325 K326 Q331 L332 E333 | V325-Q329 PolarHBondContact O-N 3.3Å; K326-Q329 PolarHBondContact O-N 2.83Å; Q329-Q331 VanDerWaalsContact C-N 3.27Å; Q329-Q331 PolarHBondContact O-N 3.35Å; Q329-L332 PolarHBondContact O-N 3.46Å; Q329-E333 WeakPolarHBondContact O-CG 3.41Å; Q329-E333 PolarHBondContact O-N 2.86Å |
| 330 | E | 91.9 | Very high | 82.6 | Confident | 97 Ų | 97 | 111.5 Ų | 111.5 | 45% | 0.453 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.8 | -32 | 176.7 | -72.4 | 173.8 | -169 | 0 | 0 | 112.9 | K326 K327 K334 | K326-E330 WeakPolarHBondContact CE-OE1 3.46Å; K326-E330 WeakPolarHBondContact O-CG 3.49Å; K326-E330 PolarHBondContact O-N 3.11Å; K327-E330 PolarHBondContact O-N 2.96Å; E330-K334 PolarHBondContact O-N 3.17Å |
| 331 | Q | 90.3 | Very high | 80.4 | Confident | 123 Ų | 123 | 113.2 Ų | 113.2 | 58% | 0.575 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.7 | -44 | 174.2 | -76.7 | 178.2 | -12.3 | 0 | 0 | 111.8 | K327 L328 Q329 K334 E335 | K327-Q331 WeakPolarHBondContact O-CG 3.46Å; K327-Q331 PolarHBondContact O-N 2.76Å; L328-Q331 PolarHBondContact O-N 3.46Å; Q329-Q331 VanDerWaalsContact C-N 3.27Å; Q329-Q331 PolarHBondContact O-N 3.35Å; Q331-K334 PolarHBondContact O-N 2.76Å; Q331-E335 PolarHBondContact O-N 3.4Å |
| 332 | L | 86.3 | Confident | 78.2 | Confident | 112 Ų | 112 | 116.4 Ų | 116.4 | 59% | 0.586 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.6 | -45.3 | 178.3 | -157.1 | 80.3 | 0 | 0 | 0 | 111.4 | L328 Q329 K334 E335 D336 | L328-L332 PolarHBondContact O-N 3.28Å; Q329-L332 PolarHBondContact O-N 3.46Å; L332-K334 VanDerWaalsContact C-N 3.3Å; L332-K334 PolarHBondContact O-N 3.45Å; L332-E335 PolarHBondContact O-N 2.86Å; L332-D336 PolarHBondContact O-N 2.64Å |
| 333 | E | 83 | Confident | 75.9 | Confident | 147 Ų | 147 | 113 Ų | 113 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.5 | -35 | 176.5 | -72.7 | -178.9 | 175.8 | 0 | 0 | 112.8 | Q329 G337 | Q329-E333 WeakPolarHBondContact O-CG 3.41Å; Q329-E333 PolarHBondContact O-N 2.86Å; E333-G337 PolarHBondContact O-N 3.45Å |
| 334 | K | 78.3 | Confident | 73.6 | Confident | 163 Ų | 163 | 115 Ų | 115 | 71% | 0.709 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.2 | -36.7 | 174.6 | -88.9 | 177.7 | 177.6 | 168.9 | 0 | 112.7 | E330 Q331 L332 S338 | E330-K334 PolarHBondContact O-N 3.17Å; Q331-K334 PolarHBondContact O-N 2.76Å; L332-K334 VanDerWaalsContact C-N 3.3Å; L332-K334 PolarHBondContact O-N 3.45Å; K334-S338 WeakPolarHBondContact O-CB 3.44Å; K334-S338 PolarHBondContact O-N 3.16Å; K334-S338 VanDerWaalsContact O-N 3.14Å |
| 335 | E | 73.4 | Confident | 71.2 | Confident | 134 Ų | 134 | 117.3 Ų | 117.3 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.4 | -45.1 | -179.8 | -154.7 | 164.9 | -162.6 | 0 | 0 | 110.5 | Q331 L332 G337 S338 S339 | Q331-E335 PolarHBondContact O-N 3.4Å; L332-E335 PolarHBondContact O-N 2.86Å; E335-G337 PolarHBondContact O-N 2.97Å; E335-S338 PolarHBondContact O-N 2.67Å; E335-S338 VanDerWaalsContact O-N 3.12Å; E335-S338 PolarHBondContact O-OG 3.43Å; E335-S339 PolarHBondContact O-N 2.81Å; E335-S339 VanDerWaalsContact O-N 3.09Å |
| 336 | D | 62.2 | Low | 68.7 | Low | 105 Ų | 105 | 124.1 Ų | 124.1 | 56% | 0.561 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -64.6 | -35.9 | 173.8 | -85.1 | -22 | 0 | 0 | 0 | 113.3 | L332 S338 S340 | L332-D336 PolarHBondContact O-N 2.64Å; D336-S338 VanDerWaalsContact C-N 3.27Å; D336-S338 PolarHBondContact O-N 3.31Å; D336-S340 PolarHBondContact O-OG 2.78Å |
| 337 | G | 58.7 | Low | 67.3 | Low | 50 Ų | 50 | 124.3 Ų | 124.3 | 52% | 0.515 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -69.8 | -21.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E333 E335 | E333-G337 PolarHBondContact O-N 3.45Å; E335-G337 PolarHBondContact O-N 2.97Å |
| 338 | S | 55 | Low | 65.8 | Low | 75 Ų | 75 | 123.7 Ų | 123.7 | 52% | 0.524 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -89.4 | -34.9 | 178.4 | 82.1 | 0 | 0 | 0 | 0 | 113 | K334 E335 D336 S340 K341 | K334-S338 WeakPolarHBondContact O-CB 3.44Å; K334-S338 PolarHBondContact O-N 3.16Å; K334-S338 VanDerWaalsContact O-N 3.14Å; E335-S338 PolarHBondContact O-N 2.67Å; E335-S338 VanDerWaalsContact O-N 3.12Å; E335-S338 PolarHBondContact O-OG 3.43Å; D336-S338 VanDerWaalsContact C-N 3.27Å; D336-S338 PolarHBondContact O-N 3.31Å; S338-S340 VanDerWaalsContact C-N 3.29Å; S338-S340 PolarHBondContact O-N 3.19Å; S338-K341 PolarHBondContact O-N 3.34Å |
| 339 | S | 50.2 | Low | 64.2 | Low | 82 Ų | 82 | 124.5 Ų | 124.5 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -70.2 | -25.6 | 179.1 | 82.5 | 0 | 0 | 0 | 0 | 112.9 | E335 K341 | E335-S339 PolarHBondContact O-N 2.81Å; E335-S339 VanDerWaalsContact O-N 3.09Å; S339-K341 VanDerWaalsContact C-N 3.26Å; S339-K341 PolarHBondContact O-N 3.43Å |
| 340 | S | 51.4 | Low | 62.7 | Low | 104 Ų | 104 | 124.9 Ų | 124.9 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 2.4 | 179 | -66.4 | 0 | 0 | 0 | 0 | 115.2 | D336 S338 | D336-S340 PolarHBondContact O-OG 2.78Å; S338-S340 VanDerWaalsContact C-N 3.29Å; S338-S340 PolarHBondContact O-N 3.19Å |
| 341 | K | 50.7 | Low | 60.8 | Low | 194 Ų | 194 | 126.6 Ų | 126.6 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -3 | 178 | -85.5 | -174.3 | 177.7 | 176.3 | 0 | 116.2 | S338 S339 | S338-K341 PolarHBondContact O-N 3.34Å; S339-K341 VanDerWaalsContact C-N 3.26Å; S339-K341 PolarHBondContact O-N 3.43Å |
| 342 | E | 49.1 | Very low | 58.9 | Low | 187 Ų | 187 | 126.9 Ų | 126.9 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -107.4 | 21.9 | -174.1 | -151.5 | 156.7 | -156.2 | 0 | 0 | 114.4 | ||
| 343 | G | 49.3 | Very low | 56.9 | Low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | trans | -128.5 | 42.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 344 | T | 47.8 | Very low | 54.9 | Low | 140 Ų | 140 | 126.5 Ų | 126.5 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | trans | -158.6 | 97.8 | 161.6 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 345 | S | 44.5 | Very low | 53 | Low | 125 Ų | 125 | 123.4 Ų | 123.4 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | -162.4 | 109.4 | 144.7 | -87.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 346 | V | 43.2 | Very low | 51.1 | Low | 220 Ų | 220 | 122.5 Ų | 122.5 | 100% | 1.333 | 76% | 0.76 | S | S | * | * | trans | -102.9 | 0 | 161.9 | 168.1 | 0 | 0 | 0 | 0 | 107.2 |
Retrieved 346 of 346 residues in 284.3 ms
(Link to these results)