| 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 | 53.9 | Low | 55.4 | Low | 203 Ų | 203 | 131.1 Ų | 131.1 | 100% | 1 | 64% | 0.644 | S | S | * | * | 0 | -35.6 | 0 | -66.7 | -57 | -110 | 0 | 0 | 114.1 | |||||
| 2 | R | 52.9 | Low | 55.2 | Low | 216 Ų | 216 | 129.5 Ų | 129.5 | 82% | 0.815 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72 | -44.7 | 175.2 | -88.7 | -175.3 | 175.8 | 172.6 | -1.8 | 113.2 | H4 R5 E6 | R2-H4 PolarHBondContact O-N 3.29Å; R2-R5 WeakPolarHBondContact O-CB 3.48Å; R2-R5 PolarHBondContact O-N 3.27Å; R2-E6 PolarHBondContact O-N 2.99Å |
| 3 | E | 57.8 | Low | 55.2 | Low | 162 Ų | 162 | 125 Ų | 125 | 76% | 0.757 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.5 | -38.4 | -178.8 | -67 | 173.8 | 157.6 | 0 | 0 | 113 | R5 E6 A7 | E3-R5 PolarHBondContact O-N 3.37Å; E3-E6 PolarHBondContact O-N 3.4Å; E3-A7 PolarHBondContact O-N 3.15Å |
| 4 | H | 55.1 | Low | 55.1 | Low | 104 Ų | 104 | 120.2 Ų | 120.2 | 48% | 0.481 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -60.5 | -31.7 | 172.7 | -106.7 | -67.5 | 0 | 0 | 0 | 113.4 | R2 M8 E31 | R2-H4 PolarHBondContact O-N 3.29Å; H4-M8 WeakPolarHBondContact O-CG 3.38Å; H4-M8 PolarHBondContact O-N 3.07Å; H4-E31 IonicContact CE1-OE2 3.84Å |
| 5 | R | 54 | Low | 55 | Low | 210 Ų | 210 | 124.3 Ų | 124.3 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -77.7 | -32.3 | -179.1 | -137.2 | 178.5 | -170.4 | 166.7 | 2.7 | 111.5 | R2 E3 G9 | R2-R5 WeakPolarHBondContact O-CB 3.48Å; R2-R5 PolarHBondContact O-N 3.27Å; E3-R5 PolarHBondContact O-N 3.37Å; R5-G9 PolarHBondContact O-N 3.21Å |
| 6 | E | 58.4 | Low | 55.3 | Low | 136 Ų | 136 | 121.1 Ų | 121.1 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.3 | -41.7 | 174.1 | -71 | 174.7 | -176.9 | 0 | 0 | 111.3 | R2 E3 M8 G9 T10 | R2-E6 PolarHBondContact O-N 2.99Å; E3-E6 PolarHBondContact O-N 3.4Å; E6-M8 VanDerWaalsContact C-N 3.33Å; E6-M8 PolarHBondContact O-N 3.25Å; E6-G9 PolarHBondContact O-N 3.2Å; E6-G9 VanDerWaalsContact O-N 3.07Å; E6-T10 PolarHBondContact O-N 3.04Å; E6-T10 VanDerWaalsContact O-N 3.15Å; E6-T10 PolarHBondContact O-OG1 3.48Å |
| 7 | A | 55.5 | Low | 55.6 | Low | 41 Ų | 41 | 119.1 Ų | 119.1 | 34% | 0.339 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -60.8 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E3 G9 T10 L11 | E3-A7 PolarHBondContact O-N 3.15Å; A7-G9 VanDerWaalsContact C-N 3.34Å; A7-G9 PolarHBondContact O-N 3.19Å; A7-T10 PolarHBondContact O-N 3.26Å; A7-L11 WeakPolarHBondContact O-CD1 3.42Å; A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 3.45Å |
| 8 | M | 52.8 | Low | 55.9 | Low | 131 Ų | 131 | 118.6 Ų | 118.6 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.7 | -31.8 | 173.2 | -76.9 | -164.8 | 83.6 | 0 | 0 | 113.3 | H4 E6 L11 | H4-M8 WeakPolarHBondContact O-CG 3.38Å; H4-M8 PolarHBondContact O-N 3.07Å; E6-M8 VanDerWaalsContact C-N 3.33Å; E6-M8 PolarHBondContact O-N 3.25Å; M8-L11 PolarHBondContact O-N 3.5Å |
| 9 | G | 56.5 | Low | 56.2 | Low | 52 Ų | 52 | 117.2 Ų | 117.2 | 54% | 0.536 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -68 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | R5 E6 A7 | R5-G9 PolarHBondContact O-N 3.21Å; E6-G9 PolarHBondContact O-N 3.2Å; E6-G9 VanDerWaalsContact O-N 3.07Å; A7-G9 VanDerWaalsContact C-N 3.34Å; A7-G9 PolarHBondContact O-N 3.19Å |
| 10 | T | 59.6 | Low | 56.3 | Low | 112 Ų | 112 | 121 Ų | 121 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.3 | -30.4 | 176.5 | -49.1 | 0 | 0 | 0 | 0 | 112.6 | E6 A7 C12 G13 | E6-T10 PolarHBondContact O-N 3.04Å; E6-T10 VanDerWaalsContact O-N 3.15Å; E6-T10 PolarHBondContact O-OG1 3.48Å; A7-T10 PolarHBondContact O-N 3.26Å; T10-C12 PolarHBondContact O-N 3.42Å; T10-G13 PolarHBondContact O-N 3.48Å |
| 11 | L | 52.4 | Low | 56.4 | Low | 75 Ų | 75 | 116.9 Ų | 116.9 | 39% | 0.393 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67.6 | -30.4 | 178.8 | -83.9 | 163.1 | 0 | 0 | 0 | 114.2 | A7 M8 A24 L28 | A7-L11 WeakPolarHBondContact O-CD1 3.42Å; A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 3.45Å; M8-L11 PolarHBondContact O-N 3.5Å; L11-A24 HydrophobicContact CD2-CB 3.48Å; L11-A24 VanDerWaalsContact CD2-CB 3.48Å; L11-L28 HydrophobicContact CD1-CD1 3.51Å |
| 12 | C | 53.7 | Low | 56.7 | Low | 112 Ų | 112 | 111.5 Ų | 111.5 | 76% | 0.757 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -83.5 | -17.3 | 180 | -163.5 | 0 | 0 | 0 | 0 | 112.8 | T10 | T10-C12 PolarHBondContact O-N 3.42Å |
| 13 | G | 55.5 | Low | 57.2 | Low | 71 Ų | 71 | 106 Ų | 106 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -91.5 | 9.6 | -173 | 0 | 0 | 0 | 0 | 0 | 117.2 | T10 | T10-G13 PolarHBondContact O-N 3.48Š|
| 14 | G | 52.9 | Low | 57.3 | Low | 58 Ų | 58 | 99.7 Ų | 99.7 | 60% | 0.598 | 59% | 0.592 | S | S | * | * | trans | -132.1 | 65.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G16 | G14-G16 PolarHBondContact O-N 3.24Š| ||
| 15 | I | 54.4 | Low | 57.7 | Low | 182 Ų | 182 | 99.3 Ų | 99.3 | 93% | 0.933 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 57.1 | 177.5 | -44.3 | 175.4 | 0 | 0 | 0 | 111.3 | ||
| 16 | G | 60.2 | Low | 58.2 | Low | 73 Ų | 73 | 94.1 Ų | 94.1 | 75% | 0.753 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | -13.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | G14 | G14-G16 PolarHBondContact O-N 3.24Š|
| 17 | N | 59.2 | Low | 58.7 | Low | 86 Ų | 86 | 90.4 Ų | 90.4 | 46% | 0.46 | 57% | 0.573 | S | S | . | * | trans | -153.3 | 110.1 | 179.9 | -165.6 | -37.3 | 0 | 0 | 0 | 112.1 | V19 R20 G21 | N17-V19 PolarHBondContact O-N 3.22Å; N17-V19 WeakPolarHBondContact OD1-CB 3.43Å; N17-V19 PolarHBondContact OD1-N 3.17Å; N17-R20 HydrophobicContact CB-CB 4.07Å; N17-R20 PolarHBondContact O-N 3.4Å; N17-G21 PolarHBondContact O-N 2.89Å | ||
| 18 | P | 61.1 | Low | 59 | Low | 111 Ų | 111 | 91.2 Ų | 91.2 | 72% | 0.721 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.8 | -22.4 | -178.5 | 25.8 | -33.2 | 0 | 0 | 0 | 113.3 | T22 | P18-T22 PolarHBondContact O-N 3.38Å; P18-T22 PolarHBondContact O-OG1 3.49Å |
| 19 | V | 62.5 | Low | 59.5 | Low | 92 Ų | 92 | 88.1 Ų | 88.1 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -76.5 | -37.2 | 178.9 | -173.3 | 0 | 0 | 0 | 0 | 111 | N17 T22 L23 | N17-V19 PolarHBondContact O-N 3.22Å; N17-V19 WeakPolarHBondContact OD1-CB 3.43Å; N17-V19 PolarHBondContact OD1-N 3.17Å; V19-T22 PolarHBondContact O-N 3.07Å; V19-L23 HydrophobicContact CG1-CD1 4.05Å; V19-L23 WeakPolarHBondContact O-CB 3.4Å; V19-L23 PolarHBondContact O-N 3.29Å |
| 20 | R | 57.6 | Low | 59.8 | Low | 193 Ų | 193 | 91.4 Ų | 91.4 | 73% | 0.728 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.2 | -34.5 | -177.9 | -157.4 | 173.1 | -177.2 | 177.1 | -0.1 | 112.4 | N17 A24 | N17-R20 HydrophobicContact CB-CB 4.07Å; N17-R20 PolarHBondContact O-N 3.4Å; R20-A24 WeakPolarHBondContact O-CB 3.47Å; R20-A24 PolarHBondContact O-N 3.49Å |
| 21 | G | 57.7 | Low | 59.7 | Low | 35 Ų | 35 | 91.5 Ų | 91.5 | 36% | 0.361 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.4 | -47.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N17 L23 A24 V25 | N17-G21 PolarHBondContact O-N 2.89Å; G21-L23 PolarHBondContact O-N 3.06Å; G21-A24 PolarHBondContact O-N 3.49Å; G21-V25 VanDerWaalsContact O-CG2 3.3Å; G21-V25 WeakPolarHBondContact O-CG2 3.3Å; G21-V25 PolarHBondContact O-N 3.46Å; G21-V25 VanDerWaalsContact O-N 3.07Å |
| 22 | T | 61 | Low | 60.2 | Low | 89 Ų | 89 | 90.1 Ų | 90.1 | 55% | 0.546 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.6 | -43 | 177.6 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | P18 V19 A24 V25 L26 | P18-T22 PolarHBondContact O-N 3.38Å; P18-T22 PolarHBondContact O-OG1 3.49Å; V19-T22 PolarHBondContact O-N 3.07Å; T22-A24 PolarHBondContact O-N 3Å; T22-V25 PolarHBondContact O-N 3.41Å; T22-L26 HydrophobicContact CG2-CD1 4.35Å; T22-L26 PolarHBondContact O-N 2.99Å; T22-L26 VanDerWaalsContact O-N 3.08Å |
| 23 | L | 62.4 | Low | 60.5 | Low | 100 Ų | 100 | 92.2 Ų | 92.2 | 52% | 0.524 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.6 | -41.2 | 175.4 | -85.9 | 161.3 | 0 | 0 | 0 | 112.5 | V19 G21 L26 S27 | V19-L23 HydrophobicContact CG1-CD1 4.05Å; V19-L23 WeakPolarHBondContact O-CB 3.4Å; V19-L23 PolarHBondContact O-N 3.29Å; G21-L23 PolarHBondContact O-N 3.06Å; L23-L26 PolarHBondContact O-N 2.88Å; L23-S27 PolarHBondContact O-N 3.29Å; L23-S27 PolarHBondContact O-OG 3.36Å |
| 24 | A | 61.4 | Low | 61.1 | Low | 30 Ų | 30 | 93.5 Ų | 93.5 | 25% | 0.248 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -70.8 | -32.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L11 R20 G21 T22 L28 | L11-A24 HydrophobicContact CD2-CB 3.48Å; L11-A24 VanDerWaalsContact CD2-CB 3.48Å; R20-A24 WeakPolarHBondContact O-CB 3.47Å; R20-A24 PolarHBondContact O-N 3.49Å; G21-A24 PolarHBondContact O-N 3.49Å; T22-A24 PolarHBondContact O-N 3Å; A24-L28 WeakPolarHBondContact O-CG 3.37Å; A24-L28 PolarHBondContact O-N 3.46Å |
| 25 | V | 62.6 | Low | 61.9 | Low | 96 Ų | 96 | 98 Ų | 98 | 58% | 0.582 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.5 | -37.7 | 171.7 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | G21 T22 A29 | G21-V25 VanDerWaalsContact O-CG2 3.3Å; G21-V25 WeakPolarHBondContact O-CG2 3.3Å; G21-V25 PolarHBondContact O-N 3.46Å; G21-V25 VanDerWaalsContact O-N 3.07Å; T22-V25 PolarHBondContact O-N 3.41Å; V25-A29 PolarHBondContact O-N 3.34Å; V25-A29 VanDerWaalsContact O-N 3.14Å |
| 26 | L | 65 | Low | 63.2 | Low | 101 Ų | 101 | 94.1 Ų | 94.1 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 174.1 | -80.8 | 158.2 | 0 | 0 | 0 | 112.3 | T22 L23 L28 A29 Q30 | T22-L26 HydrophobicContact CG2-CD1 4.35Å; T22-L26 PolarHBondContact O-N 2.99Å; T22-L26 VanDerWaalsContact O-N 3.08Å; L23-L26 PolarHBondContact O-N 2.88Å; L26-L28 PolarHBondContact O-N 3.25Å; L26-A29 PolarHBondContact O-N 3.33Å; L26-Q30 WeakPolarHBondContact O-CG 3.34Å; L26-Q30 PolarHBondContact O-N 3.22Å; L26-Q30 VanDerWaalsContact O-N 3.13Å |
| 27 | S | 68.2 | Low | 64.4 | Low | 59 Ų | 59 | 93 Ų | 93 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 177.9 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | L23 A29 Q30 E31 | L23-S27 PolarHBondContact O-N 3.29Å; L23-S27 PolarHBondContact O-OG 3.36Å; S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 3.4Å; S27-Q30 PolarHBondContact O-N 3.13Å; S27-E31 PolarHBondContact O-N 3.14Å |
| 28 | L | 63.1 | Low | 65.5 | Low | 58 Ų | 58 | 93.8 Ų | 93.8 | 30% | 0.304 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -31.6 | 175.3 | -71.2 | 176.8 | 0 | 0 | 0 | 112.9 | L11 A24 L26 Q30 | L11-L28 HydrophobicContact CD1-CD1 3.51Å; A24-L28 WeakPolarHBondContact O-CG 3.37Å; A24-L28 PolarHBondContact O-N 3.46Å; L26-L28 PolarHBondContact O-N 3.25Å; L28-Q30 VanDerWaalsContact C-N 3.32Å |
| 29 | A | 62.2 | Low | 66.8 | Low | 66 Ų | 66 | 93.7 Ų | 93.7 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.8 | -30.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V25 L26 S27 | V25-A29 PolarHBondContact O-N 3.34Å; V25-A29 VanDerWaalsContact O-N 3.14Å; L26-A29 PolarHBondContact O-N 3.33Å; S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 3.4Å |
| 30 | Q | 63.1 | Low | 68.2 | Low | 121 Ų | 121 | 94.8 Ų | 94.8 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73 | -33 | 179.3 | -70.1 | 174.4 | -66.4 | 0 | 0 | 112.8 | L26 S27 L28 G32 Y33 Q34 | L26-Q30 WeakPolarHBondContact O-CG 3.34Å; L26-Q30 PolarHBondContact O-N 3.22Å; L26-Q30 VanDerWaalsContact O-N 3.13Å; S27-Q30 PolarHBondContact O-N 3.13Å; L28-Q30 VanDerWaalsContact C-N 3.32Å; Q30-G32 VanDerWaalsContact C-N 3.29Å; Q30-G32 PolarHBondContact O-N 3.22Å; Q30-Y33 PolarHBondContact O-N 3Å; Q30-Q34 WeakPolarHBondContact O-CG 3.28Å; Q30-Q34 PolarHBondContact O-N 3.43Å |
| 31 | E | 58.7 | Low | 69.8 | Low | 113 Ų | 113 | 90.4 Ų | 90.4 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -32.8 | -179.7 | -69.4 | 174.5 | -174.9 | 0 | 0 | 112.9 | H4 S27 | H4-E31 IonicContact CE1-OE2 3.84Å; S27-E31 PolarHBondContact O-N 3.14Å |
| 32 | G | 61 | Low | 71.4 | Confident | 46 Ų | 46 | 91.6 Ų | 91.6 | 47% | 0.474 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.7 | -37.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q30 Q34 K35 | Q30-G32 VanDerWaalsContact C-N 3.29Å; Q30-G32 PolarHBondContact O-N 3.22Å; G32-Q34 PolarHBondContact O-N 3.3Å; G32-K35 PolarHBondContact O-N 3.08Å |
| 33 | Y | 60.6 | Low | 73 | Confident | 156 Ų | 156 | 90.7 Ų | 90.7 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.9 | -33.2 | -176.7 | -170.4 | -94.4 | 0 | 0 | 0 | 112.8 | Q30 K35 D36 L37 | Q30-Y33 PolarHBondContact O-N 3Å; Y33-K35 VanDerWaalsContact C-N 3.28Å; Y33-K35 PolarHBondContact O-N 3.01Å; Y33-D36 PolarHBondContact O-N 3.39Å; Y33-L37 HydrophobicContact CE1-CB 4.5Å; Y33-L37 HydrophobicContact CE1-CD2 4.37Å; Y33-L37 PolarHBondContact O-N 3.04Å |
| 34 | Q | 68.8 | Low | 74.5 | Confident | 99 Ų | 99 | 92 Ų | 92 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 179.8 | -64.2 | -57.8 | -72.6 | 0 | 0 | 112 | Q30 G32 L38 | Q30-Q34 WeakPolarHBondContact O-CG 3.28Å; Q30-Q34 PolarHBondContact O-N 3.43Å; G32-Q34 PolarHBondContact O-N 3.3Å; Q34-L38 VanDerWaalsContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CD1 3.47Å; Q34-L38 WeakPolarHBondContact O-CG 3.48Å; Q34-L38 PolarHBondContact O-N 2.95Å |
| 35 | K | 70.2 | Confident | 76.1 | Confident | 153 Ų | 153 | 93.7 Ų | 93.7 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -45.9 | -178.3 | -175.7 | -175.9 | 173.7 | -171.6 | 0 | 112.1 | G32 Y33 L38 L39 | G32-K35 PolarHBondContact O-N 3.08Å; Y33-K35 VanDerWaalsContact C-N 3.28Å; Y33-K35 PolarHBondContact O-N 3.01Å; K35-L38 PolarHBondContact O-N 3.48Å; K35-L39 WeakPolarHBondContact O-CB 3.44Å; K35-L39 PolarHBondContact O-N 3.21Å |
| 36 | D | 81.6 | Confident | 77.5 | Confident | 99 Ų | 99 | 94 Ų | 94 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | -178 | -66.9 | -20.8 | 0 | 0 | 0 | 110.5 | Y33 L39 Q40 | Y33-D36 PolarHBondContact O-N 3.39Å; D36-L39 PolarHBondContact O-N 2.94Å; D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 VanDerWaalsContact O-CG 3.26Å; D36-Q40 WeakPolarHBondContact O-CG 3.08Å; D36-Q40 PolarHBondContact O-N 3.4Å |
| 37 | L | 84.8 | Confident | 78.9 | Confident | 51 Ų | 51 | 94 Ų | 94 | 27% | 0.267 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 174.6 | -179.3 | 62.8 | 0 | 0 | 0 | 112 | Y33 L39 Q40 E41 | Y33-L37 HydrophobicContact CE1-CB 4.5Å; Y33-L37 HydrophobicContact CE1-CD2 4.37Å; Y33-L37 PolarHBondContact O-N 3.04Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.47Å; L37-Q40 WeakPolarHBondContact O-CB 3.26Å; L37-Q40 PolarHBondContact O-N 3.5Å; L37-E41 HydrophobicContact CD1-CG 4.21Å; L37-E41 HydrophobicContact CG-CG 4.4Å; L37-E41 WeakPolarHBondContact O-CB 3.49Å; L37-E41 WeakPolarHBondContact O-CG 3.4Å; L37-E41 PolarHBondContact O-N 3.21Å |
| 38 | L | 82.9 | Confident | 80.2 | Confident | 102 Ų | 102 | 95 Ų | 95 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 178.8 | -73.2 | 170.4 | 0 | 0 | 0 | 112 | Q34 K35 A42 | Q34-L38 VanDerWaalsContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CD1 3.47Å; Q34-L38 WeakPolarHBondContact O-CG 3.48Å; Q34-L38 PolarHBondContact O-N 2.95Å; K35-L38 PolarHBondContact O-N 3.48Å; L38-A42 VanDerWaalsContact O-CB 3.28Å; L38-A42 WeakPolarHBondContact O-CB 3.16Å; L38-A42 PolarHBondContact O-N 2.88Å |
| 39 | L | 87.6 | Confident | 81.6 | Confident | 109 Ų | 109 | 93.4 Ų | 93.4 | 57% | 0.571 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 176.7 | -178.1 | 60.7 | 0 | 0 | 0 | 111.3 | K35 D36 L37 T43 | K35-L39 WeakPolarHBondContact O-CB 3.44Å; K35-L39 PolarHBondContact O-N 3.21Å; D36-L39 PolarHBondContact O-N 2.94Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.47Å; L39-T43 VanDerWaalsContact O-CB 3.28Å; L39-T43 WeakPolarHBondContact O-CB 3.34Å; L39-T43 PolarHBondContact O-N 3.38Å; L39-T43 PolarHBondContact O-OG1 2.91Å |
| 40 | Q | 92.9 | Very high | 83.1 | Confident | 114 Ų | 114 | 91.2 Ų | 91.2 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -51 | 174.7 | -76.1 | 176 | -18.7 | 0 | 0 | 111.1 | D36 L37 A42 T43 E44 | D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 VanDerWaalsContact O-CG 3.26Å; D36-Q40 WeakPolarHBondContact O-CG 3.08Å; D36-Q40 PolarHBondContact O-N 3.4Å; L37-Q40 WeakPolarHBondContact O-CB 3.26Å; L37-Q40 PolarHBondContact O-N 3.5Å; Q40-A42 VanDerWaalsContact C-N 3.33Å; Q40-A42 PolarHBondContact O-N 3.17Å; Q40-T43 PolarHBondContact O-N 3.45Å; Q40-T43 VanDerWaalsContact O-N 3.1Å; Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.34Å; Q40-E44 PolarHBondContact O-N 3.44Å |
| 41 | E | 90.9 | Very high | 84.6 | Confident | 102 Ų | 102 | 88.9 Ų | 88.9 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 177.8 | -73.7 | 178.6 | 176.6 | 0 | 0 | 111.8 | L37 T43 E44 A45 | L37-E41 HydrophobicContact CD1-CG 4.21Å; L37-E41 HydrophobicContact CG-CG 4.4Å; L37-E41 WeakPolarHBondContact O-CB 3.49Å; L37-E41 WeakPolarHBondContact O-CG 3.4Å; L37-E41 PolarHBondContact O-N 3.21Å; E41-T43 PolarHBondContact O-N 3.38Å; E41-E44 PolarHBondContact O-N 2.98Å; E41-A45 WeakPolarHBondContact O-CB 3.4Å; E41-A45 PolarHBondContact O-N 3.23Å |
| 42 | A | 91.4 | Very high | 86.3 | Confident | 60 Ų | 60 | 89.5 Ų | 89.5 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L38 Q40 Y46 | L38-A42 VanDerWaalsContact O-CB 3.28Å; L38-A42 WeakPolarHBondContact O-CB 3.16Å; L38-A42 PolarHBondContact O-N 2.88Å; Q40-A42 VanDerWaalsContact C-N 3.33Å; Q40-A42 PolarHBondContact O-N 3.17Å; A42-Y46 WeakPolarHBondContact O-CB 3.47Å; A42-Y46 PolarHBondContact O-N 3.49Å |
| 43 | T | 94.2 | Very high | 87.9 | Confident | 69 Ų | 69 | 89.8 Ų | 89.8 | 42% | 0.423 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | L39 Q40 E41 Y46 M47 | L39-T43 VanDerWaalsContact O-CB 3.28Å; L39-T43 WeakPolarHBondContact O-CB 3.34Å; L39-T43 PolarHBondContact O-N 3.38Å; L39-T43 PolarHBondContact O-OG1 2.91Å; Q40-T43 PolarHBondContact O-N 3.45Å; Q40-T43 VanDerWaalsContact O-N 3.1Å; E41-T43 PolarHBondContact O-N 3.38Å; T43-Y46 PolarHBondContact O-N 3.37Å; T43-M47 HydrophobicContact CG2-CG 4.37Å; T43-M47 WeakPolarHBondContact O-CB 3.28Å; T43-M47 WeakPolarHBondContact O-CG 3.41Å; T43-M47 PolarHBondContact O-N 3.05Å |
| 44 | E | 94.2 | Very high | 89.6 | Confident | 127 Ų | 127 | 82.3 Ų | 82.3 | 59% | 0.593 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.7 | -46.4 | 176 | -75.3 | -178.5 | -175.6 | 0 | 0 | 111.2 | Q40 E41 Y46 M47 V48 | Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.34Å; Q40-E44 PolarHBondContact O-N 3.44Å; E41-E44 PolarHBondContact O-N 2.98Å; E44-Y46 VanDerWaalsContact C-N 3.31Å; E44-Y46 PolarHBondContact O-N 2.94Å; E44-M47 PolarHBondContact O-N 2.67Å; E44-V48 WeakPolarHBondContact O-CB 3.45Å; E44-V48 VanDerWaalsContact O-CG2 3.25Å; E44-V48 WeakPolarHBondContact O-CG2 3.47Å; E44-V48 PolarHBondContact O-N 3.1Å |
| 45 | A | 93.9 | Very high | 90.8 | Very high | 66 Ų | 66 | 80.4 Ų | 80.4 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E41 G49 | E41-A45 WeakPolarHBondContact O-CB 3.4Å; E41-A45 PolarHBondContact O-N 3.23Å; A45-G49 PolarHBondContact O-N 3.38Å |
| 46 | Y | 92.4 | Very high | 92 | Very high | 103 Ų | 103 | 78.3 Ų | 78.3 | 40% | 0.404 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.2 | 171.9 | -100.2 | 0 | 0 | 0 | 112.3 | A42 T43 E44 V48 G49 L50 E80 | A42-Y46 WeakPolarHBondContact O-CB 3.47Å; A42-Y46 PolarHBondContact O-N 3.49Å; T43-Y46 PolarHBondContact O-N 3.37Å; E44-Y46 VanDerWaalsContact C-N 3.31Å; E44-Y46 PolarHBondContact O-N 2.94Å; Y46-V48 PolarHBondContact O-N 2.8Å; Y46-G49 PolarHBondContact O-N 2.83Å; Y46-L50 HydrophobicContact CE1-CD2 4.33Å; Y46-L50 WeakPolarHBondContact O-CB 3.16Å; Y46-L50 PolarHBondContact O-N 2.99Å; Y46-E80 VanDerWaalsContact CE2-OE1 3.31Å; Y46-E80 WeakPolarHBondContact CE2-OE1 3.33Å; Y46-E80 PolarHBondContact OH-OE2 3.44Å |
| 47 | M | 94.1 | Very high | 92.6 | Very high | 101 Ų | 101 | 74.4 Ų | 74.4 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 178.4 | -75.8 | -88.2 | -71.6 | 0 | 0 | 111.9 | T43 E44 L51 | T43-M47 HydrophobicContact CG2-CG 4.37Å; T43-M47 WeakPolarHBondContact O-CB 3.28Å; T43-M47 WeakPolarHBondContact O-CG 3.41Å; T43-M47 PolarHBondContact O-N 3.05Å; E44-M47 PolarHBondContact O-N 2.67Å; M47-L51 WeakPolarHBondContact O-CB 3.33Å; M47-L51 WeakPolarHBondContact O-CG 3.49Å; M47-L51 PolarHBondContact O-N 2.89Å |
| 48 | V | 95.3 | Very high | 93.1 | Very high | 79 Ų | 79 | 72.1 Ų | 72.1 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63 | -50.6 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | E44 Y46 L50 L51 E52 | E44-V48 WeakPolarHBondContact O-CB 3.45Å; E44-V48 VanDerWaalsContact O-CG2 3.25Å; E44-V48 WeakPolarHBondContact O-CG2 3.47Å; E44-V48 PolarHBondContact O-N 3.1Å; Y46-V48 PolarHBondContact O-N 2.8Å; V48-L50 PolarHBondContact O-N 3.39Å; V48-L51 PolarHBondContact O-N 2.92Å; V48-L51 VanDerWaalsContact O-N 3.13Å; V48-E52 WeakPolarHBondContact O-CG 3.41Å; V48-E52 PolarHBondContact O-N 2.92Å |
| 49 | G | 93 | Very high | 93.7 | Very high | 25 Ų | 25 | 72.2 Ų | 72.2 | 26% | 0.258 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A45 Y46 L51 E52 D53 | A45-G49 PolarHBondContact O-N 3.38Å; Y46-G49 PolarHBondContact O-N 2.83Å; G49-L51 VanDerWaalsContact C-N 3.3Å; G49-L51 PolarHBondContact O-N 3.17Å; G49-E52 PolarHBondContact O-N 3.39Å; G49-D53 PolarHBondContact O-N 2.95Å |
| 50 | L | 93.5 | Very high | 94 | Very high | 21 Ų | 21 | 74.8 Ų | 74.8 | 11% | 0.11 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62 | -38.3 | 176.4 | 178.9 | 60.3 | 0 | 0 | 0 | 112.4 | Y46 V48 T54 I71 A74 R75 | Y46-L50 HydrophobicContact CE1-CD2 4.33Å; Y46-L50 WeakPolarHBondContact O-CB 3.16Å; Y46-L50 PolarHBondContact O-N 2.99Å; V48-L50 PolarHBondContact O-N 3.39Å; L50-T54 WeakPolarHBondContact O-CB 3.37Å; L50-T54 PolarHBondContact O-N 3.08Å; L50-T54 PolarHBondContact O-OG1 2.89Å; L50-I71 HydrophobicContact CD1-CG2 4.49Å; L50-I71 HydrophobicContact CD2-CG2 4.13Å; L50-I71 HydrophobicContact CG-CG2 4.47Å; L50-A74 HydrophobicContact CD1-CB 4Å; L50-R75 HydrophobicContact CD1-CG 3.66Å; L50-R75 HydrophobicContact CD2-CG 4.32Å |
| 51 | L | 94.7 | Very high | 94.1 | Very high | 72 Ų | 72 | 71.6 Ų | 71.6 | 38% | 0.377 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.8 | -34 | 178.8 | -74.2 | 173 | 0 | 0 | 0 | 112.4 | M47 V48 G49 T54 V55 I66 | M47-L51 WeakPolarHBondContact O-CB 3.33Å; M47-L51 WeakPolarHBondContact O-CG 3.49Å; M47-L51 PolarHBondContact O-N 2.89Å; V48-L51 PolarHBondContact O-N 2.92Å; V48-L51 VanDerWaalsContact O-N 3.13Å; G49-L51 VanDerWaalsContact C-N 3.3Å; G49-L51 PolarHBondContact O-N 3.17Å; L51-T54 WeakPolarHBondContact O-CB 3.22Å; L51-T54 PolarHBondContact O-N 3.44Å; L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 VanDerWaalsContact O-CG2 3.25Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.14Å; L51-I66 HydrophobicContact CD2-CD1 4.44Å |
| 52 | E | 94.7 | Very high | 94.3 | Very high | 125 Ų | 125 | 77.9 Ų | 77.9 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58 | -49 | 172.7 | -73.2 | 174.6 | 179.6 | 0 | 0 | 110.9 | V48 G49 T54 V55 L56 | V48-E52 WeakPolarHBondContact O-CG 3.41Å; V48-E52 PolarHBondContact O-N 2.92Å; G49-E52 PolarHBondContact O-N 3.39Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.37Å; E52-V55 WeakPolarHBondContact O-CB 3.47Å; E52-V55 PolarHBondContact O-N 2.64Å; E52-L56 WeakPolarHBondContact O-CG 3.34Å; E52-L56 PolarHBondContact O-N 3.4Å |
| 53 | D | 94 | Very high | 94.5 | Very high | 52 Ų | 52 | 77.6 Ų | 77.6 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 176.8 | -70.2 | -47.5 | 0 | 0 | 0 | 112.9 | G49 V55 L56 C57 A74 H78 | G49-D53 PolarHBondContact O-N 2.95Å; D53-V55 VanDerWaalsContact C-N 3.32Å; D53-V55 PolarHBondContact O-N 3.44Å; D53-L56 PolarHBondContact O-N 3.05Å; D53-C57 PolarHBondContact O-N 3.14Å; D53-C57 PolarHBondContact O-SG 3.49Å; D53-A74 HydrophobicContact CB-CB 3.92Å; D53-H78 IonicContact OD2-CD2 3.61Å; D53-H78 IonicContact OD2-CE1 3.59Å; D53-H78 IonicContact OD2-NE2 2.64Å; D53-H78 PolarHBondContact OD2-NE2 3.47Å |
| 54 | T | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | L50 L51 E52 C57 A58 I66 D70 I71 | L50-T54 WeakPolarHBondContact O-CB 3.37Å; L50-T54 PolarHBondContact O-N 3.08Å; L50-T54 PolarHBondContact O-OG1 2.89Å; L51-T54 WeakPolarHBondContact O-CB 3.22Å; L51-T54 PolarHBondContact O-N 3.44Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.37Å; T54-C57 WeakPolarHBondContact O-CB 3.35Å; T54-C57 PolarHBondContact O-N 3.25Å; T54-A58 PolarHBondContact O-N 2.83Å; T54-I66 HydrophobicContact CG2-CB 4.32Å; T54-I66 HydrophobicContact CG2-CG1 4.25Å; T54-I66 HydrophobicContact CG2-CG2 3.31Å; T54-D70 HydrophobicContact CG2-CB 3.63Å; T54-I71 HydrophobicContact CG2-CB 4.47Å; T54-I71 HydrophobicContact CG2-CG1 3.52Å |
| 55 | V | 95.2 | Very high | 94.4 | Very high | 59 Ų | 59 | 79.8 Ų | 79.8 | 36% | 0.358 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 174.3 | 167.4 | 0 | 0 | 0 | 0 | 110.3 | L51 E52 D53 C57 A58 I59 I66 | L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 VanDerWaalsContact O-CG2 3.25Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.14Å; E52-V55 WeakPolarHBondContact O-CB 3.47Å; E52-V55 PolarHBondContact O-N 2.64Å; D53-V55 VanDerWaalsContact C-N 3.32Å; D53-V55 PolarHBondContact O-N 3.44Å; V55-C57 VanDerWaalsContact C-N 3.31Å; V55-C57 PolarHBondContact O-N 2.96Å; V55-A58 PolarHBondContact O-N 3.22Å; V55-A58 VanDerWaalsContact O-N 3.13Å; V55-I59 HydrophobicContact CG1-CD1 3.7Å; V55-I59 HydrophobicContact CG1-CG1 4.34Å; V55-I59 WeakPolarHBondContact O-CG1 3.36Å; V55-I59 PolarHBondContact O-N 3.31Å; V55-I66 HydrophobicContact CG2-CD1 3.64Å; V55-I66 HydrophobicContact CG2-CG1 4.16Å |
| 56 | L | 94.9 | Very high | 94.4 | Very high | 109 Ų | 109 | 79.8 Ų | 79.8 | 57% | 0.571 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.8 | -40.9 | 175.3 | -67.5 | 176.1 | 0 | 0 | 0 | 111.9 | E52 D53 I59 H60 | E52-L56 WeakPolarHBondContact O-CG 3.34Å; E52-L56 PolarHBondContact O-N 3.4Å; D53-L56 PolarHBondContact O-N 3.05Å; L56-I59 PolarHBondContact O-N 2.82Å; L56-H60 WeakPolarHBondContact O-CB 3.43Å; L56-H60 PolarHBondContact O-N 3.38Å |
| 57 | C | 93.8 | Very high | 94.4 | Very high | 17 Ų | 17 | 78.3 Ų | 78.3 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 174.6 | -69.3 | 0 | 0 | 0 | 0 | 112.5 | D53 T54 V55 A61 D70 L73 | D53-C57 PolarHBondContact O-N 3.14Å; D53-C57 PolarHBondContact O-SG 3.49Å; T54-C57 WeakPolarHBondContact O-CB 3.35Å; T54-C57 PolarHBondContact O-N 3.25Å; V55-C57 VanDerWaalsContact C-N 3.31Å; V55-C57 PolarHBondContact O-N 2.96Å; C57-A61 PolarHBondContact O-N 2.96Å; C57-D70 HydrophobicContact CB-CB 4.09Å; C57-L73 HydrophobicContact CB-CD2 4.28Å |
| 58 | A | 95.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 76.9 Ų | 76.9 | 2% | 0.017 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T54 V55 H60 A61 R62 R63 | T54-A58 PolarHBondContact O-N 2.83Å; V55-A58 PolarHBondContact O-N 3.22Å; V55-A58 VanDerWaalsContact O-N 3.13Å; A58-H60 VanDerWaalsContact C-N 3.34Å; A58-H60 PolarHBondContact O-N 3.49Å; A58-A61 CarbonylContact O-C 3.49Å; A58-A61 PolarHBondContact O-N 3.27Å; A58-A61 VanDerWaalsContact O-N 3.11Å; A58-R62 PolarHBondContact O-N 3.22Å; A58-R63 CarbonylContact C-O 3.15Å; A58-R63 PolarHBondContact O-N 3.44Å |
| 59 | I | 96.1 | Very high | 94.3 | Very high | 105 Ų | 105 | 78.6 Ų | 78.6 | 54% | 0.538 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 177.1 | -68.1 | 168.9 | 0 | 0 | 0 | 110.6 | V55 L56 A61 R62 R63 | V55-I59 HydrophobicContact CG1-CD1 3.7Å; V55-I59 HydrophobicContact CG1-CG1 4.34Å; V55-I59 WeakPolarHBondContact O-CG1 3.36Å; V55-I59 PolarHBondContact O-N 3.31Å; L56-I59 PolarHBondContact O-N 2.82Å; I59-A61 PolarHBondContact O-N 3.22Å; I59-R62 WeakPolarHBondContact O-CA 3.25Å; I59-R62 PolarHBondContact O-N 3.29Å; I59-R63 PolarHBondContact N-O 3.03Å |
| 60 | H | 94.5 | Very high | 94.4 | Very high | 163 Ų | 163 | 77.6 Ų | 77.6 | 76% | 0.755 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56.8 | -37.4 | 175.3 | -178.2 | 78.4 | 0 | 0 | 0 | 112.1 | L56 A58 R62 | L56-H60 WeakPolarHBondContact O-CB 3.43Å; L56-H60 PolarHBondContact O-N 3.38Å; A58-H60 VanDerWaalsContact C-N 3.34Å; A58-H60 PolarHBondContact O-N 3.49Å; H60-R62 PolarHBondContact O-N 2.92Å |
| 61 | A | 94.9 | Very high | 94.4 | Very high | 46 Ų | 46 | 79.3 Ų | 79.3 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 13.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C57 A58 I59 R63 | C57-A61 PolarHBondContact O-N 2.96Å; A58-A61 CarbonylContact O-C 3.49Å; A58-A61 PolarHBondContact O-N 3.27Å; A58-A61 VanDerWaalsContact O-N 3.11Å; I59-A61 PolarHBondContact O-N 3.22Å; A61-R63 VanDerWaalsContact C-N 3.28Å; A61-R63 VanDerWaalsContact CB-NH2 3.26Å; A61-R63 PolarHBondContact O-N 3Å |
| 62 | R | 94.6 | Very high | 94.3 | Very high | 234 Ų | 234 | 81.3 Ų | 81.3 | 88% | 0.883 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 38.5 | -175.1 | -62.8 | -175.6 | -71.5 | -95.4 | 0 | 113.6 | A58 I59 H60 | A58-R62 PolarHBondContact O-N 3.22Å; I59-R62 WeakPolarHBondContact O-CA 3.25Å; I59-R62 PolarHBondContact O-N 3.29Å; H60-R62 PolarHBondContact O-N 2.92Å |
| 63 | R | 94.8 | Very high | 94.2 | Very high | 55 Ų | 55 | 79.3 Ų | 79.3 | 21% | 0.208 | 41% | 0.411 | C | S | . | . | trans | -121.5 | 148.5 | 175.9 | -68.7 | 177.8 | -71.3 | 103.4 | -6.7 | 110.3 | A58 I59 A61 T65 M67 D70 | A58-R63 CarbonylContact C-O 3.15Å; A58-R63 PolarHBondContact O-N 3.44Å; I59-R63 PolarHBondContact N-O 3.03Å; A61-R63 VanDerWaalsContact C-N 3.28Å; A61-R63 VanDerWaalsContact CB-NH2 3.26Å; A61-R63 PolarHBondContact O-N 3Å; R63-T65 PolarHBondContact NH1-O 3.3Å; R63-T65 VanDerWaalsContact NH1-O 3.07Å; R63-M67 VanDerWaalsContact NE-CE 3.29Å; R63-D70 IonicContact CZ-OD1 3.57Å; R63-D70 IonicContact CZ-OD2 3.52Å; R63-D70 IonicContact NH1-OD1 3.54Å; R63-D70 IonicContact NH1-OD2 2.72Å; R63-D70 PolarHBondContact NH1-OD2 3.02Å; R63-D70 IonicContact NH2-OD1 2.67Å; R63-D70 PolarHBondContact NH2-OD1 2.67Å; R63-D70 IonicContact NH2-OD2 3.41Å; R63-D70 PolarHBondContact NH2-OD2 3.27Å | ||
| 64 | V | 91.9 | Very high | 94.1 | Very high | 144 Ų | 144 | 76.9 Ų | 76.9 | 87% | 0.873 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -98.4 | -19.7 | 171.3 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 65 | T | 94.9 | Very high | 93.9 | Very high | 97 Ų | 97 | 80.6 Ų | 80.6 | 60% | 0.595 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -90.6 | 124.3 | 178.9 | -49.7 | 0 | 0 | 0 | 0 | 110.5 | R63 | R63-T65 PolarHBondContact NH1-O 3.3Å; R63-T65 VanDerWaalsContact NH1-O 3.07Å |
| 66 | I | 93.9 | Very high | 93.8 | Very high | 67 Ų | 67 | 87.1 Ų | 87.1 | 34% | 0.344 | 43% | 0.431 | S | S | . | . | trans | -69.4 | 135 | 171.9 | -64.9 | 169.4 | 0 | 0 | 0 | 109.7 | L51 T54 V55 I71 | L51-I66 HydrophobicContact CD2-CD1 4.44Å; T54-I66 HydrophobicContact CG2-CB 4.32Å; T54-I66 HydrophobicContact CG2-CG1 4.25Å; T54-I66 HydrophobicContact CG2-CG2 3.31Å; V55-I66 HydrophobicContact CG2-CD1 3.64Å; V55-I66 HydrophobicContact CG2-CG1 4.16Å; I66-I71 HydrophobicContact CG2-CG1 4.49Å | ||
| 67 | M | 93.8 | Very high | 93.5 | Very high | 71 Ų | 71 | 87.7 Ų | 87.7 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | trans | -122.5 | 159 | 172.7 | -73 | -176.8 | -85.2 | 0 | 0 | 111.3 | R63 K69 D70 I71 | R63-M67 VanDerWaalsContact NE-CE 3.29Å; M67-K69 HydrophobicContact CB-CG 3.95Å; M67-K69 PolarHBondContact O-N 2.92Å; M67-D70 PolarHBondContact N-OD2 2.82Å; M67-D70 WeakPolarHBondContact O-CB 3.45Å; M67-D70 PolarHBondContact O-N 3.37Å; M67-I71 PolarHBondContact O-N 3.39Å | ||
| 68 | A | 93.7 | Very high | 93.2 | Very high | 72 Ų | 72 | 92 Ų | 92 | 60% | 0.595 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -54.4 | -31.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D70 I71 Q72 | A68-D70 VanDerWaalsContact C-N 3.3Å; A68-D70 PolarHBondContact O-N 3.13Å; A68-I71 PolarHBondContact O-N 3.49Å; A68-Q72 WeakPolarHBondContact O-CG 3.43Å; A68-Q72 PolarHBondContact O-N 3.43Å |
| 69 | K | 93.1 | Very high | 92.8 | Very high | 114 Ų | 114 | 94.3 Ų | 94.3 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -29.3 | 175.2 | 66.3 | 177.4 | 177.8 | -175.8 | 0 | 113.7 | M67 L73 | M67-K69 HydrophobicContact CB-CG 3.95Å; M67-K69 PolarHBondContact O-N 2.92Å; K69-L73 WeakPolarHBondContact O-CB 3.41Å; K69-L73 PolarHBondContact O-N 2.88Å |
| 70 | D | 94.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 92.7 Ų | 92.7 | 3% | 0.027 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -73.3 | -39.5 | 179 | -57.3 | -39.1 | 0 | 0 | 0 | 109.7 | T54 C57 R63 M67 A68 L73 A74 | T54-D70 HydrophobicContact CG2-CB 3.63Å; C57-D70 HydrophobicContact CB-CB 4.09Å; R63-D70 IonicContact CZ-OD1 3.57Å; R63-D70 IonicContact CZ-OD2 3.52Å; R63-D70 IonicContact NH1-OD1 3.54Å; R63-D70 IonicContact NH1-OD2 2.72Å; R63-D70 PolarHBondContact NH1-OD2 3.02Å; R63-D70 IonicContact NH2-OD1 2.67Å; R63-D70 PolarHBondContact NH2-OD1 2.67Å; R63-D70 IonicContact NH2-OD2 3.41Å; R63-D70 PolarHBondContact NH2-OD2 3.27Å; M67-D70 PolarHBondContact N-OD2 2.82Å; M67-D70 WeakPolarHBondContact O-CB 3.45Å; M67-D70 PolarHBondContact O-N 3.37Å; A68-D70 VanDerWaalsContact C-N 3.3Å; A68-D70 PolarHBondContact O-N 3.13Å; D70-L73 PolarHBondContact O-N 3.07Å; D70-A74 WeakPolarHBondContact O-CB 3.35Å; D70-A74 PolarHBondContact O-N 3.34Å |
| 71 | I | 93 | Very high | 90.6 | Very high | 57 Ų | 57 | 96.2 Ų | 96.2 | 29% | 0.292 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 173.4 | -59.4 | 172.3 | 0 | 0 | 0 | 110.1 | L50 T54 I66 M67 A68 L73 A74 R75 | L50-I71 HydrophobicContact CD1-CG2 4.49Å; L50-I71 HydrophobicContact CD2-CG2 4.13Å; L50-I71 HydrophobicContact CG-CG2 4.47Å; T54-I71 HydrophobicContact CG2-CB 4.47Å; T54-I71 HydrophobicContact CG2-CG1 3.52Å; I66-I71 HydrophobicContact CG2-CG1 4.49Å; M67-I71 PolarHBondContact O-N 3.39Å; A68-I71 PolarHBondContact O-N 3.49Å; I71-L73 VanDerWaalsContact C-N 3.27Å; I71-L73 PolarHBondContact O-N 3.39Å; I71-A74 PolarHBondContact O-N 2.87Å; I71-R75 HydrophobicContact CG2-CG 4.38Å; I71-R75 WeakPolarHBondContact O-CB 3.5Å; I71-R75 WeakPolarHBondContact O-CG 3.41Å; I71-R75 PolarHBondContact O-N 3.13Å |
| 72 | Q | 92.8 | Very high | 88.8 | Confident | 114 Ų | 114 | 100.8 Ų | 100.8 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 175.6 | -72.4 | 175.5 | -6.5 | 0 | 0 | 111.9 | A68 R76 | A68-Q72 WeakPolarHBondContact O-CG 3.43Å; A68-Q72 PolarHBondContact O-N 3.43Å; Q72-R76 WeakPolarHBondContact O-CB 3.33Å; Q72-R76 WeakPolarHBondContact O-CD 3.46Å; Q72-R76 WeakPolarHBondContact O-CG 3.25Å; Q72-R76 PolarHBondContact O-N 3.23Å; Q72-R76 VanDerWaalsContact O-N 3.08Å |
| 73 | L | 92.5 | Very high | 88.5 | Confident | 82 Ų | 82 | 94.2 Ų | 94.2 | 43% | 0.429 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.4 | -48 | 175.6 | -178.3 | 60.1 | 0 | 0 | 0 | 111.3 | C57 K69 D70 I71 R75 R76 I77 | C57-L73 HydrophobicContact CB-CD2 4.28Å; K69-L73 WeakPolarHBondContact O-CB 3.41Å; K69-L73 PolarHBondContact O-N 2.88Å; D70-L73 PolarHBondContact O-N 3.07Å; I71-L73 VanDerWaalsContact C-N 3.27Å; I71-L73 PolarHBondContact O-N 3.39Å; L73-R75 PolarHBondContact O-N 2.97Å; L73-R76 WeakPolarHBondContact O-CB 3.47Å; L73-R76 PolarHBondContact O-N 2.89Å; L73-R76 VanDerWaalsContact O-N 3.14Å; L73-I77 HydrophobicContact CD1-CD1 4.25Å; L73-I77 HydrophobicContact CD1-CG1 4.42Å; L73-I77 HydrophobicContact CG-CD1 3.99Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.72Å |
| 74 | A | 92.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 96.2 Ų | 96.2 | 1% | 0.008 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L50 D53 D70 I71 R76 I77 H78 | L50-A74 HydrophobicContact CD1-CB 4Å; D53-A74 HydrophobicContact CB-CB 3.92Å; D70-A74 WeakPolarHBondContact O-CB 3.35Å; D70-A74 PolarHBondContact O-N 3.34Å; I71-A74 PolarHBondContact O-N 2.87Å; A74-R76 VanDerWaalsContact C-N 3.33Å; A74-R76 PolarHBondContact O-N 3.4Å; A74-I77 WeakPolarHBondContact O-CB 3.33Å; A74-I77 PolarHBondContact O-N 2.93Å; A74-I77 VanDerWaalsContact O-N 3.14Å; A74-H78 PolarHBondContact O-CD2 2.67Å; A74-H78 PolarHBondContact O-N 3.07Å |
| 75 | R | 92.1 | Very high | 88 | Confident | 79 Ų | 79 | 93.6 Ų | 93.6 | 30% | 0.298 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 175.5 | -69.2 | -175.9 | 67.2 | -156 | -5.7 | 112.9 | L50 I71 L73 I77 H78 G79 E80 | L50-R75 HydrophobicContact CD1-CG 3.66Å; L50-R75 HydrophobicContact CD2-CG 4.32Å; I71-R75 HydrophobicContact CG2-CG 4.38Å; I71-R75 WeakPolarHBondContact O-CB 3.5Å; I71-R75 WeakPolarHBondContact O-CG 3.41Å; I71-R75 PolarHBondContact O-N 3.13Å; L73-R75 PolarHBondContact O-N 2.97Å; R75-I77 VanDerWaalsContact C-N 3.34Å; R75-H78 PolarHBondContact O-N 3.35Å; R75-G79 PolarHBondContact O-N 2.9Å; R75-G79 VanDerWaalsContact O-N 3.17Å; R75-E80 HydrophobicContact CB-CB 4.46Å; R75-E80 PolarHBondContact O-N 2.92Å |
| 76 | R | 91.9 | Very high | 87.6 | Confident | 195 Ų | 195 | 93.4 Ų | 93.4 | 74% | 0.736 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.7 | -37.7 | 174.7 | -77.1 | 170.8 | -177.1 | -170.9 | 2.5 | 112.1 | Q72 L73 A74 G79 | Q72-R76 WeakPolarHBondContact O-CB 3.33Å; Q72-R76 WeakPolarHBondContact O-CD 3.46Å; Q72-R76 WeakPolarHBondContact O-CG 3.25Å; Q72-R76 PolarHBondContact O-N 3.23Å; Q72-R76 VanDerWaalsContact O-N 3.08Å; L73-R76 WeakPolarHBondContact O-CB 3.47Å; L73-R76 PolarHBondContact O-N 2.89Å; L73-R76 VanDerWaalsContact O-N 3.14Å; A74-R76 VanDerWaalsContact C-N 3.33Å; A74-R76 PolarHBondContact O-N 3.4Å; R76-G79 PolarHBondContact O-N 3.41Å |
| 77 | I | 89.7 | Confident | 87.2 | Confident | 121 Ų | 121 | 95 Ų | 95 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 176.7 | -68.3 | 166.7 | 0 | 0 | 0 | 110.4 | L73 A74 R75 G79 | L73-I77 HydrophobicContact CD1-CD1 4.25Å; L73-I77 HydrophobicContact CD1-CG1 4.42Å; L73-I77 HydrophobicContact CG-CD1 3.99Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.72Å; A74-I77 WeakPolarHBondContact O-CB 3.33Å; A74-I77 PolarHBondContact O-N 2.93Å; A74-I77 VanDerWaalsContact O-N 3.14Å; R75-I77 VanDerWaalsContact C-N 3.34Å; I77-G79 PolarHBondContact O-N 3.26Å |
| 78 | H | 87.6 | Confident | 86.7 | Confident | 107 Ų | 107 | 96.6 Ų | 96.6 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.9 | 173.5 | -83.5 | -74.4 | 0 | 0 | 0 | 114.4 | D53 A74 R75 E80 | D53-H78 IonicContact OD2-CD2 3.61Å; D53-H78 IonicContact OD2-CE1 3.59Å; D53-H78 IonicContact OD2-NE2 2.64Å; D53-H78 PolarHBondContact OD2-NE2 3.47Å; A74-H78 PolarHBondContact O-CD2 2.67Å; A74-H78 PolarHBondContact O-N 3.07Å; R75-H78 PolarHBondContact O-N 3.35Å; H78-E80 HydrophobicContact CB-CG 3.98Å; H78-E80 PolarHBondContact O-N 3.36Å |
| 79 | G | 86.8 | Confident | 86.2 | Confident | 51 Ų | 51 | 98.4 Ų | 98.4 | 53% | 0.526 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 11 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R75 R76 I77 R81 | R75-G79 PolarHBondContact O-N 2.9Å; R75-G79 VanDerWaalsContact O-N 3.17Å; R76-G79 PolarHBondContact O-N 3.41Å; I77-G79 PolarHBondContact O-N 3.26Å; G79-R81 PolarHBondContact O-N 3.37Å |
| 80 | E | 76.8 | Confident | 85.7 | Confident | 72 Ų | 72 | 97.2 Ų | 97.2 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | trans | -76.3 | 91.1 | 177.1 | -67.9 | -172.2 | 146.5 | 0 | 0 | 110 | Y46 R75 H78 A82 | Y46-E80 VanDerWaalsContact CE2-OE1 3.31Å; Y46-E80 WeakPolarHBondContact CE2-OE1 3.33Å; Y46-E80 PolarHBondContact OH-OE2 3.44Å; R75-E80 HydrophobicContact CB-CB 4.46Å; R75-E80 PolarHBondContact O-N 2.92Å; H78-E80 HydrophobicContact CB-CG 3.98Å; H78-E80 PolarHBondContact O-N 3.36Å; E80-A82 PolarHBondContact O-N 3.11Å | ||
| 81 | R | 67.3 | Low | 85 | Confident | 237 Ų | 237 | 104.8 Ų | 104.8 | 89% | 0.894 | 53% | 0.529 | S | S | * | . | trans | -72.3 | 119.8 | 172.6 | -58.9 | -179 | -169.4 | -176.9 | 2.5 | 108.3 | G79 | G79-R81 PolarHBondContact O-N 3.37Š| ||
| 82 | A | 56.7 | Low | 84.2 | Confident | 142 Ų | 142 | 109.2 Ų | 109.2 | 100% | 1.174 | 55% | 0.55 | S | S | * | * | trans | -67.1 | 0 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | E80 | E80-A82 PolarHBondContact O-N 3.11Š|
Retrieved 82 of 82 residues in 80.5 ms
(Link to these results)