| 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 | 55.1 | Low | 52.4 | Low | 224 Ų | 224 | 126.2 Ų | 126.2 | 100% | 1.103 | 61% | 0.609 | S | S | * | * | 0 | -1.4 | 0 | -105.1 | 168.6 | 64 | 0 | 0 | 114 | |||||
| 2 | I | 56.2 | Low | 52.3 | Low | 133 Ų | 133 | 125.9 Ų | 125.9 | 68% | 0.682 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.7 | -30.2 | 179.3 | -176.6 | 160.1 | 0 | 0 | 0 | 113.9 | G4 D5 I6 | I2-G4 PolarHBondContact O-N 3.19Å; I2-D5 PolarHBondContact O-N 3.47Å; I2-I6 HydrophobicContact CD1-CD1 4.4Å; I2-I6 HydrophobicContact CG1-CD1 3.74Å; I2-I6 HydrophobicContact CG1-CG1 4.35Å; I2-I6 WeakPolarHBondContact O-CG1 3.32Å; I2-I6 PolarHBondContact O-N 3.46Å |
| 3 | E | 51.3 | Low | 52 | Low | 157 Ų | 157 | 123.6 Ų | 123.6 | 73% | 0.734 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.9 | -33.4 | -176.8 | -161.8 | 172.8 | -159 | 0 | 0 | 112.9 | R7 | E3-R7 PolarHBondContact O-N 3.12Å; E3-R7 VanDerWaalsContact O-N 3.12Å |
| 4 | G | 50 | Low | 51.3 | Low | 47 Ų | 47 | 121.2 Ų | 121.2 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.4 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I2 I6 R7 E8 | I2-G4 PolarHBondContact O-N 3.19Å; G4-I6 PolarHBondContact O-N 3.08Å; G4-R7 PolarHBondContact O-N 3.25Å; G4-E8 PolarHBondContact O-N 3.3Å; G4-E8 VanDerWaalsContact O-N 3.08Å |
| 5 | D | 54.4 | Low | 51.4 | Low | 111 Ų | 111 | 122.3 Ų | 122.3 | 59% | 0.594 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.9 | -34.5 | 177.2 | -113.7 | 20.5 | 0 | 0 | 0 | 111.8 | I2 R9 | I2-D5 PolarHBondContact O-N 3.47Å; D5-R9 WeakPolarHBondContact O-CD 3.26Å; D5-R9 VanDerWaalsContact O-CG 3.23Å; D5-R9 WeakPolarHBondContact O-CG 3.23Å; D5-R9 PolarHBondContact O-N 2.83Å |
| 6 | I | 52.3 | Low | 51.2 | Low | 49 Ų | 49 | 121.4 Ų | 121.4 | 25% | 0.251 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.8 | -46.3 | 178.2 | -71.4 | 170.2 | 0 | 0 | 0 | 110.6 | I2 G4 E8 R9 I10 L50 | I2-I6 HydrophobicContact CD1-CD1 4.4Å; I2-I6 HydrophobicContact CG1-CD1 3.74Å; I2-I6 HydrophobicContact CG1-CG1 4.35Å; I2-I6 WeakPolarHBondContact O-CG1 3.32Å; I2-I6 PolarHBondContact O-N 3.46Å; G4-I6 PolarHBondContact O-N 3.08Å; I6-E8 VanDerWaalsContact C-N 3.3Å; I6-E8 PolarHBondContact O-N 2.66Å; I6-R9 PolarHBondContact O-N 3.26Å; I6-R9 VanDerWaalsContact O-N 3.09Å; I6-I10 HydrophobicContact CG2-CD1 3.58Å; I6-I10 HydrophobicContact CG2-CG1 4.24Å; I6-I10 VanDerWaalsContact O-CG1 3.3Å; I6-I10 WeakPolarHBondContact O-CG1 3.49Å; I6-I10 PolarHBondContact O-N 3.5Å; I6-I10 VanDerWaalsContact O-N 3.12Å; I6-L50 HydrophobicContact CB-CD1 4.47Å; I6-L50 HydrophobicContact CD1-CD1 4.3Å; I6-L50 HydrophobicContact CG1-CD1 4.49Å; I6-L50 HydrophobicContact CG2-CD1 3.23Å; I6-L50 HydrophobicContact CG2-CG 3.86Å |
| 7 | R | 50.4 | Low | 51.5 | Low | 157 Ų | 157 | 119.1 Ų | 119.1 | 59% | 0.592 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58.9 | -43.8 | -178.8 | -176.8 | 175.6 | 175.7 | -119.7 | -11.6 | 111.3 | E3 G4 R9 I10 E11 | E3-R7 PolarHBondContact O-N 3.12Å; E3-R7 VanDerWaalsContact O-N 3.12Å; G4-R7 PolarHBondContact O-N 3.25Å; R7-R9 VanDerWaalsContact C-N 3.29Å; R7-R9 PolarHBondContact O-N 3.43Å; R7-I10 PolarHBondContact O-N 3.12Å; R7-E11 IonicContact CZ-OE1 3.69Å; R7-E11 IonicContact CZ-OE2 3.23Å; R7-E11 VanDerWaalsContact CZ-OE2 3.23Å; R7-E11 IonicContact NE-OE1 3.66Å; R7-E11 IonicContact NE-OE2 3.36Å; R7-E11 PolarHBondContact NE-OE2 3.36Å; R7-E11 VanDerWaalsContact NH2-CD 3.35Å; R7-E11 IonicContact NH2-OE1 2.91Å; R7-E11 PolarHBondContact NH2-OE1 2.91Å; R7-E11 IonicContact NH2-OE2 2.91Å; R7-E11 PolarHBondContact NH2-OE2 2.91Å; R7-E11 WeakPolarHBondContact O-CB 3.3Å; R7-E11 PolarHBondContact O-N 3.09Å |
| 8 | E | 56.9 | Low | 52.2 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 61% | 0.612 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.1 | -40.5 | 176.3 | -171.5 | 169.8 | -155 | 0 | 0 | 111.7 | G4 I6 I10 D12 | G4-E8 PolarHBondContact O-N 3.3Å; G4-E8 VanDerWaalsContact O-N 3.08Å; I6-E8 VanDerWaalsContact C-N 3.3Å; I6-E8 PolarHBondContact O-N 2.66Å; E8-I10 PolarHBondContact O-N 3.33Å; E8-D12 VanDerWaalsContact O-CB 3.26Å; E8-D12 WeakPolarHBondContact O-CB 3.49Å; E8-D12 PolarHBondContact O-N 3.39Å; E8-D12 VanDerWaalsContact O-N 3.12Å |
| 9 | R | 49.1 | Very low | 52.5 | Low | 172 Ų | 172 | 116.7 Ų | 116.7 | 65% | 0.649 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.2 | -29 | -179.8 | -69.8 | 177.7 | 79.2 | -172.2 | 1.5 | 114.7 | D5 I6 R7 | D5-R9 WeakPolarHBondContact O-CD 3.26Å; D5-R9 VanDerWaalsContact O-CG 3.23Å; D5-R9 WeakPolarHBondContact O-CG 3.23Å; D5-R9 PolarHBondContact O-N 2.83Å; I6-R9 PolarHBondContact O-N 3.26Å; I6-R9 VanDerWaalsContact O-N 3.09Å; R7-R9 VanDerWaalsContact C-N 3.29Å; R7-R9 PolarHBondContact O-N 3.43Å |
| 10 | I | 47 | Very low | 53.1 | Low | 75 Ų | 75 | 117.7 Ų | 117.7 | 39% | 0.385 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -86.5 | -35.8 | 179 | -46.5 | 154.4 | 0 | 0 | 0 | 111.1 | I6 R7 E8 F17 L50 | I6-I10 HydrophobicContact CG2-CD1 3.58Å; I6-I10 HydrophobicContact CG2-CG1 4.24Å; I6-I10 VanDerWaalsContact O-CG1 3.3Å; I6-I10 WeakPolarHBondContact O-CG1 3.49Å; I6-I10 PolarHBondContact O-N 3.5Å; I6-I10 VanDerWaalsContact O-N 3.12Å; R7-I10 PolarHBondContact O-N 3.12Å; E8-I10 PolarHBondContact O-N 3.33Å; I10-F17 HydrophobicContact CG1-CZ 4.11Å; I10-L50 HydrophobicContact CD1-CD1 4.27Å; I10-L50 HydrophobicContact CD1-CD2 3.96Å; I10-L50 HydrophobicContact CD1-CG 4.24Å |
| 11 | E | 53.3 | Low | 53.6 | Low | 132 Ų | 132 | 115.2 Ų | 115.2 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -80.4 | -33.5 | -174.3 | -142.3 | 166.6 | -142.5 | 0 | 0 | 111.7 | R7 | R7-E11 IonicContact CZ-OE1 3.69Å; R7-E11 IonicContact CZ-OE2 3.23Å; R7-E11 VanDerWaalsContact CZ-OE2 3.23Å; R7-E11 IonicContact NE-OE1 3.66Å; R7-E11 IonicContact NE-OE2 3.36Å; R7-E11 PolarHBondContact NE-OE2 3.36Å; R7-E11 VanDerWaalsContact NH2-CD 3.35Å; R7-E11 IonicContact NH2-OE1 2.91Å; R7-E11 PolarHBondContact NH2-OE1 2.91Å; R7-E11 IonicContact NH2-OE2 2.91Å; R7-E11 PolarHBondContact NH2-OE2 2.91Å; R7-E11 WeakPolarHBondContact O-CB 3.3Å; R7-E11 PolarHBondContact O-N 3.09Å |
| 12 | D | 51.6 | Low | 53.9 | Low | 123 Ų | 123 | 106.5 Ų | 106.5 | 66% | 0.658 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -83.5 | -27.4 | 179.1 | -164.3 | 35.8 | 0 | 0 | 0 | 113 | E8 | E8-D12 VanDerWaalsContact O-CB 3.26Å; E8-D12 WeakPolarHBondContact O-CB 3.49Å; E8-D12 PolarHBondContact O-N 3.39Å; E8-D12 VanDerWaalsContact O-N 3.12Å |
| 13 | H | 48.2 | Very low | 54.2 | Low | 96 Ų | 96 | 106.2 Ų | 106.2 | 44% | 0.444 | 55% | 0.548 | S | S | . | . | trans | -122.4 | 103.2 | -177.4 | -69.9 | -96.3 | 0 | 0 | 0 | 110.3 | E15 | H13-E15 HydrophobicContact CB-CB 3.8Å; H13-E15 IonicContact CG-OE2 3.95Å; H13-E15 IonicContact ND1-OE2 3.3Å; H13-E15 PolarHBondContact ND1-OE2 3.47Å; H13-E15 PolarHBondContact O-N 3.39Å | ||
| 14 | G | 42.9 | Very low | 54.8 | Low | 90 Ų | 90 | 104.2 Ų | 104.2 | 93% | 0.928 | 54% | 0.539 | S | S | * | . | trans | -64.5 | 32.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 15 | E | 52.5 | Low | 55.2 | Low | 138 Ų | 138 | 105.6 Ų | 105.6 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | trans | -84.1 | 110.4 | -179.2 | -169.2 | 152.1 | -159.8 | 0 | 0 | 107.1 | H13 F17 | H13-E15 HydrophobicContact CB-CB 3.8Å; H13-E15 IonicContact CG-OE2 3.95Å; H13-E15 IonicContact ND1-OE2 3.3Å; H13-E15 PolarHBondContact ND1-OE2 3.47Å; H13-E15 PolarHBondContact O-N 3.39Å; E15-F17 PolarHBondContact O-N 3.12Å; E15-F17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | S | 48.8 | Very low | 55.3 | Low | 107 Ų | 107 | 103.5 Ų | 103.5 | 75% | 0.748 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -50.4 | 120.9 | 173.7 | -55.3 | 0 | 0 | 0 | 0 | 109.3 | T18 | S16-T18 PolarHBondContact O-N 3.38Š|
| 17 | F | 54.7 | Low | 55.7 | Low | 83 Ų | 83 | 109.2 Ų | 109.2 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 128.7 | 170.4 | -70.1 | -86.6 | 0 | 0 | 0 | 109.5 | I10 E15 E21 L22 L25 | I10-F17 HydrophobicContact CG1-CZ 4.11Å; E15-F17 PolarHBondContact O-N 3.12Å; E15-F17 VanDerWaalsContact O-N 3.14Å; F17-E21 HydrophobicContact CD1-CB 4.49Å; F17-L22 HydrophobicContact CB-CD1 4.42Å; F17-L22 HydrophobicContact CB-CD2 4.08Å; F17-L22 HydrophobicContact CB-CG 3.97Å; F17-L22 HydrophobicContact CG-CD2 4.38Å; F17-L25 HydrophobicContact CE1-CD1 4.42Å |
| 18 | T | 64.5 | Low | 55.9 | Low | 76 Ų | 76 | 105.3 Ų | 105.3 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 152.1 | 173.1 | 63.5 | 0 | 0 | 0 | 0 | 109.8 | S16 K20 E21 L22 | S16-T18 PolarHBondContact O-N 3.38Å; T18-K20 PolarHBondContact O-N 3.41Å; T18-E21 PolarHBondContact N-OE2 3.44Å; T18-E21 PolarHBondContact O-N 3.03Å; T18-E21 VanDerWaalsContact OG1-CG 3.31Å; T18-E21 WeakPolarHBondContact OG1-CG 3.45Å; T18-E21 PolarHBondContact OG1-N 3.49Å; T18-E21 PolarHBondContact OG1-OE2 3.26Å; T18-L22 PolarHBondContact O-N 2.81Å; T18-L22 VanDerWaalsContact O-N 3.1Å |
| 19 | N | 58.5 | Low | 55.4 | Low | 117 Ų | 117 | 104.1 Ų | 104.1 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -52.5 | -34.2 | 176.2 | -75 | -22.6 | 0 | 0 | 0 | 112.2 | E23 | N19-E23 WeakPolarHBondContact O-CG 3.48Å; N19-E23 PolarHBondContact O-N 3.22Å |
| 20 | K | 64 | Low | 55.5 | Low | 135 Ų | 135 | 103.3 Ų | 103.3 | 59% | 0.587 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.8 | -42 | 178.3 | -175.3 | 174.3 | 173 | 175.7 | 0 | 112.5 | T18 L22 E23 E24 | T18-K20 PolarHBondContact O-N 3.41Å; K20-L22 VanDerWaalsContact C-N 3.31Å; K20-L22 PolarHBondContact O-N 3.29Å; K20-E23 PolarHBondContact O-N 2.96Å; K20-E24 WeakPolarHBondContact CE-OE1 3.3Å; K20-E24 IonicContact NZ-OE1 3.96Å; K20-E24 WeakPolarHBondContact O-CB 3.38Å; K20-E24 WeakPolarHBondContact O-CG 3.49Å; K20-E24 PolarHBondContact O-N 3.43Å |
| 21 | E | 63.9 | Low | 55.4 | Low | 67 Ų | 67 | 103 Ų | 103 | 31% | 0.313 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.2 | -37 | 176.3 | -74.4 | 167.2 | 132.2 | 0 | 0 | 111.9 | F17 T18 E24 L25 | F17-E21 HydrophobicContact CD1-CB 4.49Å; T18-E21 PolarHBondContact N-OE2 3.44Å; T18-E21 PolarHBondContact O-N 3.03Å; T18-E21 VanDerWaalsContact OG1-CG 3.31Å; T18-E21 WeakPolarHBondContact OG1-CG 3.45Å; T18-E21 PolarHBondContact OG1-N 3.49Å; T18-E21 PolarHBondContact OG1-OE2 3.26Å; E21-E24 PolarHBondContact O-N 2.93Å; E21-L25 WeakPolarHBondContact O-CB 3.38Å; E21-L25 WeakPolarHBondContact O-CG 3.33Å; E21-L25 PolarHBondContact O-N 3.42Å |
| 22 | L | 62 | Low | 55.2 | Low | 40 Ų | 40 | 101.9 Ų | 101.9 | 21% | 0.209 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -65.4 | -44.2 | 172.6 | -69.9 | 175.3 | 0 | 0 | 0 | 111.3 | F17 T18 K20 E24 L25 L26 F57 | F17-L22 HydrophobicContact CB-CD1 4.42Å; F17-L22 HydrophobicContact CB-CD2 4.08Å; F17-L22 HydrophobicContact CB-CG 3.97Å; F17-L22 HydrophobicContact CG-CD2 4.38Å; T18-L22 PolarHBondContact O-N 2.81Å; T18-L22 VanDerWaalsContact O-N 3.1Å; K20-L22 VanDerWaalsContact C-N 3.31Å; K20-L22 PolarHBondContact O-N 3.29Å; L22-E24 PolarHBondContact O-N 2.67Å; L22-L25 PolarHBondContact O-N 2.75Å; L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 2.94Å; L22-F57 HydrophobicContact CD1-CE1 4.24Å; L22-F57 HydrophobicContact CD1-CZ 4.37Å |
| 23 | E | 62.4 | Low | 55.2 | Low | 128 Ų | 128 | 104.2 Ų | 104.2 | 60% | 0.598 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.3 | -43 | 173.9 | -82.5 | -179.7 | 174 | 0 | 0 | 112.3 | N19 K20 L26 Q27 | N19-E23 WeakPolarHBondContact O-CG 3.48Å; N19-E23 PolarHBondContact O-N 3.22Å; K20-E23 PolarHBondContact O-N 2.96Å; E23-L26 CarbonylContact O-C 3.55Å; E23-L26 PolarHBondContact O-N 2.63Å; E23-Q27 WeakPolarHBondContact O-CB 3.36Å; E23-Q27 WeakPolarHBondContact O-CG 3.46Å; E23-Q27 PolarHBondContact O-N 3.15Å |
| 24 | E | 64 | Low | 55.3 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.6 | -40.8 | 178.5 | -75 | 178.9 | -172.9 | 0 | 0 | 112.1 | K20 E21 L22 L26 Q27 S28 | K20-E24 WeakPolarHBondContact CE-OE1 3.3Å; K20-E24 IonicContact NZ-OE1 3.96Å; K20-E24 WeakPolarHBondContact O-CB 3.38Å; K20-E24 WeakPolarHBondContact O-CG 3.49Å; K20-E24 PolarHBondContact O-N 3.43Å; E21-E24 PolarHBondContact O-N 2.93Å; L22-E24 PolarHBondContact O-N 2.67Å; E24-L26 VanDerWaalsContact C-N 3.28Å; E24-L26 PolarHBondContact O-N 3.04Å; E24-Q27 PolarHBondContact O-N 3.21Å; E24-S28 PolarHBondContact O-N 2.95Å |
| 25 | L | 57.1 | Low | 55.8 | Low | 75 Ų | 75 | 107 Ų | 107 | 39% | 0.393 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60 | -39.3 | 171.5 | -86.2 | 162 | 0 | 0 | 0 | 111.5 | F17 E21 L22 S28 | F17-L25 HydrophobicContact CE1-CD1 4.42Å; E21-L25 WeakPolarHBondContact O-CB 3.38Å; E21-L25 WeakPolarHBondContact O-CG 3.33Å; E21-L25 PolarHBondContact O-N 3.42Å; L22-L25 PolarHBondContact O-N 2.75Å; L25-S28 PolarHBondContact O-N 3.3Å; L25-S28 PolarHBondContact O-OG 2.85Å |
| 26 | L | 57.1 | Low | 55.8 | Low | 67 Ų | 67 | 105.8 Ų | 105.8 | 35% | 0.351 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75 | -28.3 | 177.6 | -72.1 | 171 | 0 | 0 | 0 | 113.6 | L22 E23 E24 S28 A54 | L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 2.94Å; E23-L26 CarbonylContact O-C 3.55Å; E23-L26 PolarHBondContact O-N 2.63Å; E24-L26 VanDerWaalsContact C-N 3.28Å; E24-L26 PolarHBondContact O-N 3.04Å; L26-S28 PolarHBondContact O-N 3.23Å; L26-A54 HydrophobicContact CD2-CB 3.65Å; L26-A54 HydrophobicContact CG-CB 4.41Å |
| 27 | Q | 60.8 | Low | 56 | Low | 170 Ų | 170 | 105.4 Ų | 105.4 | 79% | 0.794 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71 | -22.4 | 174 | -69.7 | -97.6 | -48.3 | 0 | 0 | 111.4 | E23 E24 | E23-Q27 WeakPolarHBondContact O-CB 3.36Å; E23-Q27 WeakPolarHBondContact O-CG 3.46Å; E23-Q27 PolarHBondContact O-N 3.15Å; E24-Q27 PolarHBondContact O-N 3.21Å |
| 28 | S | 53.8 | Low | 55.9 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 52% | 0.524 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -73.1 | 135.8 | 168.7 | 82.9 | 0 | 0 | 0 | 0 | 109.9 | E24 L25 L26 | E24-S28 PolarHBondContact O-N 2.95Å; L25-S28 PolarHBondContact O-N 3.3Å; L25-S28 PolarHBondContact O-OG 2.85Å; L26-S28 PolarHBondContact O-N 3.23Å |
| 29 | P | 47.5 | Very low | 55.3 | Low | 106 Ų | 106 | 114.4 Ų | 114.4 | 69% | 0.688 | 61% | 0.605 | S | S | * | * | -84.8 | 141.6 | -109.6 | 30.6 | -33.2 | 0 | 0 | 0 | 114.6 | G31 | P29-G31 WeakPolarHBondContact O-CA 3.1Å; P29-G31 PolarHBondContact O-N 3.3Å | |||
| 30 | T | 50.3 | Low | 55.2 | Low | 155 Ų | 155 | 111.6 Ų | 111.6 | 95% | 0.951 | 59% | 0.593 | S | S | * | * | 21.7 | 32.9 | 123 | -43.7 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 31 | G | 46.2 | Very low | 54.9 | Low | 68 Ų | 68 | 114 Ų | 114 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | trans | -123.6 | -7.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | P29 | P29-G31 WeakPolarHBondContact O-CA 3.1Å; P29-G31 PolarHBondContact O-N 3.3Å | ||
| 32 | N | 48.8 | Very low | 54.6 | Low | 109 Ų | 109 | 115.8 Ų | 115.8 | 58% | 0.583 | 63% | 0.632 | S | S | * | * | trans | -149.6 | 66.1 | -177.5 | -155.1 | 16.5 | 0 | 0 | 0 | 112.8 | D34 D35 | N32-D34 VanDerWaalsContact C-N 3.28Å; N32-D35 PolarHBondContact ND2-OD2 2.85Å; N32-D35 PolarHBondContact OD1-N 3.19Å | ||
| 33 | D | 51.5 | Low | 54.5 | Low | 172 Ų | 172 | 117.8 Ų | 117.8 | 92% | 0.92 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -86.6 | 6.6 | 170.9 | -100.8 | -8.7 | 0 | 0 | 0 | 112.8 | ||
| 34 | D | 51.1 | Low | 54.9 | Low | 138 Ų | 138 | 114.2 Ų | 114.2 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | trans | -131.7 | 9 | -173.2 | -159.4 | 32.6 | 0 | 0 | 0 | 114.9 | N32 V36 | N32-D34 VanDerWaalsContact C-N 3.28Å; D34-V36 PolarHBondContact O-N 2.63Å | ||
| 35 | D | 51.8 | Low | 55 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | trans | -71.7 | 86.2 | 153.6 | -111.9 | -24.4 | 0 | 0 | 0 | 105.8 | N32 M37 | N32-D35 PolarHBondContact ND2-OD2 2.85Å; N32-D35 PolarHBondContact OD1-N 3.19Å; D35-M37 HydrophobicContact CB-SD 4.34Å; D35-M37 PolarHBondContact O-N 2.82Å | ||
| 36 | V | 52.3 | Low | 55.6 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 69% | 0.685 | 65% | 0.646 | S | S | * | * | trans | -40 | 101.6 | 144.2 | 164.4 | 0 | 0 | 0 | 0 | 103.9 | D34 E38 | D34-V36 PolarHBondContact O-N 2.63Å; V36-E38 PolarHBondContact O-N 3.27Å | ||
| 37 | M | 54.5 | Low | 56.5 | Low | 100 Ų | 100 | 117.6 Ų | 117.6 | 49% | 0.493 | 66% | 0.66 | S | S | . | * | trans | -64 | 88.6 | 176.5 | -54.3 | -67.1 | -77.3 | 0 | 0 | 103.3 | D35 Y39 K52 | D35-M37 HydrophobicContact CB-SD 4.34Å; D35-M37 PolarHBondContact O-N 2.82Å; M37-Y39 PolarHBondContact O-N 3.21Å; M37-K52 HydrophobicContact CE-CD 4.32Å; M37-K52 HydrophobicContact CE-CG 4.22Å | ||
| 38 | E | 52.8 | Low | 57.4 | Low | 135 Ų | 135 | 112.8 Ų | 112.8 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | trans | -50.2 | 125.8 | 169.7 | -173.4 | -177.5 | -158.3 | 0 | 0 | 102.6 | V36 T40 | V36-E38 PolarHBondContact O-N 3.27Å; E38-T40 HydrophobicContact CB-CG2 4.04Å; E38-T40 HydrophobicContact CG-CG2 4.08Å; E38-T40 PolarHBondContact O-N 3.07Å | ||
| 39 | Y | 50.8 | Low | 58.8 | Low | 212 Ų | 212 | 113.1 Ų | 113.1 | 83% | 0.831 | 63% | 0.634 | S | S | * | * | trans | -67 | 61.1 | 175.5 | 40.4 | -92.1 | 0 | 0 | 0 | 107.1 | M37 E41 | M37-Y39 PolarHBondContact O-N 3.21Å; Y39-E41 VanDerWaalsContact C-N 3.3Å; Y39-E41 PolarHBondContact O-N 2.72Å | ||
| 40 | T | 57.3 | Low | 60.2 | Low | 58 Ų | 58 | 110.7 Ų | 110.7 | 36% | 0.356 | 62% | 0.615 | S | S | . | * | trans | -61.6 | 103.7 | 172.9 | 58.9 | 0 | 0 | 0 | 0 | 104.3 | E38 A42 Q43 | E38-T40 HydrophobicContact CB-CG2 4.04Å; E38-T40 HydrophobicContact CG-CG2 4.08Å; E38-T40 PolarHBondContact O-N 3.07Å; T40-A42 PolarHBondContact O-N 2.81Å; T40-Q43 PolarHBondContact OG1-NE2 3.14Å | ||
| 41 | E | 56.2 | Low | 61.3 | Low | 185 Ų | 185 | 107.7 Ų | 107.7 | 86% | 0.864 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 12.7 | 94.1 | 160.4 | -163.4 | 172 | -139.8 | 0 | 0 | 112.1 | Y39 Q43 | Y39-E41 VanDerWaalsContact C-N 3.3Å; Y39-E41 PolarHBondContact O-N 2.72Å; E41-Q43 PolarHBondContact O-N 2.98Å |
| 42 | A | 58.7 | Low | 63 | Low | 105 Ų | 105 | 106.2 Ų | 106.2 | 87% | 0.868 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 2.5 | 73.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T40 S44 | T40-A42 PolarHBondContact O-N 2.81Å; A42-S44 PolarHBondContact O-N 3.5Å |
| 43 | Q | 60.4 | Low | 64.4 | Low | 82 Ų | 82 | 105.4 Ų | 105.4 | 38% | 0.383 | 57% | 0.566 | S | S | . | * | trans | -56.4 | 126.8 | 176.4 | -82.7 | 179.9 | 2.9 | 0 | 0 | 106.2 | T40 E41 W48 | T40-Q43 PolarHBondContact OG1-NE2 3.14Å; E41-Q43 PolarHBondContact O-N 2.98Å; Q43-W48 PolarHBondContact O-NE1 3.1Å | ||
| 44 | S | 70.3 | Confident | 65.8 | Low | 54 Ų | 54 | 98.1 Ų | 98.1 | 38% | 0.378 | 53% | 0.53 | S | S | . | . | trans | -52.9 | 139 | 175.6 | 43.3 | 0 | 0 | 0 | 0 | 108.6 | A42 S46 H47 | A42-S44 PolarHBondContact O-N 3.5Å; S44-S46 WeakPolarHBondContact CB-OG 3.38Å; S44-S46 PolarHBondContact O-N 3.45Å; S44-S46 PolarHBondContact OG-OG 3.26Å; S44-S46 VanDerWaalsContact OG-OG 3.14Å; S44-H47 WeakPolarHBondContact O-CB 2.99Å; S44-H47 PolarHBondContact O-N 2.94Å | ||
| 45 | P | 65.9 | Low | 67 | Low | 80 Ų | 80 | 93.5 Ų | 93.5 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -53.8 | -26 | 179.3 | -28.7 | 35.3 | 0 | 0 | 0 | 113.1 | H47 W48 F53 | P45-H47 PolarHBondContact O-N 2.84Å; P45-W48 HydrophobicContact CB-CD2 4.48Å; P45-W48 HydrophobicContact CB-CE3 4.45Å; P45-W48 WeakPolarHBondContact O-CB 3.17Å; P45-W48 PolarHBondContact O-N 3.48Å; P45-F53 WeakPolarHBondContact O-CZ 3.4Å |
| 46 | S | 68.7 | Low | 68.3 | Low | 107 Ų | 107 | 91.4 Ų | 91.4 | 75% | 0.748 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -62.1 | -22.4 | 173.3 | 58.9 | 0 | 0 | 0 | 0 | 114.6 | S44 | S44-S46 WeakPolarHBondContact CB-OG 3.38Å; S44-S46 PolarHBondContact O-N 3.45Å; S44-S46 PolarHBondContact OG-OG 3.26Å; S44-S46 VanDerWaalsContact OG-OG 3.14Å |
| 47 | H | 77.8 | Confident | 69.7 | Low | 140 Ų | 140 | 89.8 Ų | 89.8 | 65% | 0.648 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -93.8 | -2.3 | 179.1 | -105.8 | -77.4 | 0 | 0 | 0 | 113.4 | S44 P45 | S44-H47 WeakPolarHBondContact O-CB 2.99Å; S44-H47 PolarHBondContact O-N 2.94Å; P45-H47 PolarHBondContact O-N 2.84Å |
| 48 | W | 78.1 | Confident | 70.9 | Confident | 69 Ų | 69 | 93.6 Ų | 93.6 | 26% | 0.261 | 49% | 0.489 | S | S | . | . | trans | -79 | 138 | -175.1 | -67.7 | 4.6 | 0 | 0 | 0 | 111.4 | Q43 P45 K52 F53 I56 | Q43-W48 PolarHBondContact O-NE1 3.1Å; P45-W48 HydrophobicContact CB-CD2 4.48Å; P45-W48 HydrophobicContact CB-CE3 4.45Å; P45-W48 WeakPolarHBondContact O-CB 3.17Å; P45-W48 PolarHBondContact O-N 3.48Å; W48-K52 HydrophobicContact CB-CB 4.18Å; W48-K52 HydrophobicContact CB-CD 3.99Å; W48-K52 HydrophobicContact CB-CG 4.18Å; W48-K52 HydrophobicContact CD2-CD 3.91Å; W48-K52 HydrophobicContact CD2-CG 4.04Å; W48-K52 HydrophobicContact CE3-CG 4.33Å; W48-K52 HydrophobicContact CG-CD 3.56Å; W48-K52 HydrophobicContact CG-CG 3.99Å; W48-F53 HydrophobicContact CB-CD2 3.99Å; W48-F53 HydrophobicContact CB-CE2 3.56Å; W48-F53 HydrophobicContact CB-CZ 4Å; W48-F53 HydrophobicContact CE3-CD1 4.09Å; W48-F53 AromaticContact CE3-CE1 3.8Å; W48-F53 HydrophobicContact CE3-CE1 3.8Å; W48-F53 HydrophobicContact CE3-CZ 4.03Å; W48-F53 HydrophobicContact CZ3-CE1 4.36Å; W48-I56 HydrophobicContact CD2-CD1 4.31Å; W48-I56 HydrophobicContact CE3-CD1 3.56Å; W48-I56 HydrophobicContact CH2-CD1 3.41Å; W48-I56 VanDerWaalsContact CH2-CD1 3.41Å; W48-I56 HydrophobicContact CZ2-CD1 4.19Å; W48-I56 HydrophobicContact CZ3-CD1 3.07Å; W48-I56 HydrophobicContact CZ3-CG1 4.5Å | ||
| 49 | T | 83.7 | Confident | 72.2 | Confident | 83 Ų | 83 | 92.6 Ų | 92.6 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | trans | -73.8 | 158.8 | 170.7 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | S51 K52 F53 | T49-S51 PolarHBondContact O-N 3.33Å; T49-K52 WeakPolarHBondContact O-CB 3.31Å; T49-K52 PolarHBondContact O-N 3.44Å; T49-K52 PolarHBondContact OG1-N 3.02Å; T49-F53 WeakPolarHBondContact O-CD2 3.37Å; T49-F53 PolarHBondContact O-N 3.34Å; T49-F53 VanDerWaalsContact O-N 3.15Å | ||
| 50 | L | 78 | Confident | 73.6 | Confident | 55 Ų | 55 | 85.1 Ų | 85.1 | 29% | 0.288 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.2 | -37.3 | 173.6 | -77.1 | -164.4 | 0 | 0 | 0 | 112.6 | I6 I10 K52 F53 A54 | I6-L50 HydrophobicContact CB-CD1 4.47Å; I6-L50 HydrophobicContact CD1-CD1 4.3Å; I6-L50 HydrophobicContact CG1-CD1 4.49Å; I6-L50 HydrophobicContact CG2-CD1 3.23Å; I6-L50 HydrophobicContact CG2-CG 3.86Å; I10-L50 HydrophobicContact CD1-CD1 4.27Å; I10-L50 HydrophobicContact CD1-CD2 3.96Å; I10-L50 HydrophobicContact CD1-CG 4.24Å; L50-K52 PolarHBondContact O-N 3.4Å; L50-F53 PolarHBondContact O-N 2.87Å; L50-A54 WeakPolarHBondContact O-CB 3.33Å; L50-A54 PolarHBondContact O-N 2.96Å |
| 51 | S | 72.9 | Confident | 74.6 | Confident | 91 Ų | 91 | 86.3 Ų | 86.3 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.4 | -36.8 | 175.7 | -167.2 | 0 | 0 | 0 | 0 | 112 | T49 C55 | T49-S51 PolarHBondContact O-N 3.33Å; S51-C55 VanDerWaalsContact O-CB 3.3Å; S51-C55 WeakPolarHBondContact O-CB 3.48Å; S51-C55 PolarHBondContact O-N 3.22Å |
| 52 | K | 81.9 | Confident | 75.4 | Confident | 37 Ų | 37 | 80.2 Ų | 80.2 | 16% | 0.161 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -71.7 | -42 | 177.3 | -173.9 | 163.5 | 179.6 | 174.4 | 0 | 111.8 | M37 W48 T49 L50 A54 C55 I56 | M37-K52 HydrophobicContact CE-CD 4.32Å; M37-K52 HydrophobicContact CE-CG 4.22Å; W48-K52 HydrophobicContact CB-CB 4.18Å; W48-K52 HydrophobicContact CB-CD 3.99Å; W48-K52 HydrophobicContact CB-CG 4.18Å; W48-K52 HydrophobicContact CD2-CD 3.91Å; W48-K52 HydrophobicContact CD2-CG 4.04Å; W48-K52 HydrophobicContact CE3-CG 4.33Å; W48-K52 HydrophobicContact CG-CD 3.56Å; W48-K52 HydrophobicContact CG-CG 3.99Å; T49-K52 WeakPolarHBondContact O-CB 3.31Å; T49-K52 PolarHBondContact O-N 3.44Å; T49-K52 PolarHBondContact OG1-N 3.02Å; L50-K52 PolarHBondContact O-N 3.4Å; K52-A54 VanDerWaalsContact C-N 3.33Å; K52-A54 PolarHBondContact O-N 2.97Å; K52-C55 PolarHBondContact O-N 2.99Å; K52-I56 HydrophobicContact CG-CD1 4.05Å; K52-I56 VanDerWaalsContact O-CG1 3.31Å; K52-I56 WeakPolarHBondContact O-CG1 3.48Å; K52-I56 PolarHBondContact O-N 2.76Å |
| 53 | F | 78.9 | Confident | 76.2 | Confident | 92 Ų | 92 | 80.2 Ų | 80.2 | 40% | 0.404 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 172.5 | -78.9 | -73.3 | 0 | 0 | 0 | 112 | P45 W48 T49 L50 I56 F57 | P45-F53 WeakPolarHBondContact O-CZ 3.4Å; W48-F53 HydrophobicContact CB-CD2 3.99Å; W48-F53 HydrophobicContact CB-CE2 3.56Å; W48-F53 HydrophobicContact CB-CZ 4Å; W48-F53 HydrophobicContact CE3-CD1 4.09Å; W48-F53 AromaticContact CE3-CE1 3.8Å; W48-F53 HydrophobicContact CE3-CE1 3.8Å; W48-F53 HydrophobicContact CE3-CZ 4.03Å; W48-F53 HydrophobicContact CZ3-CE1 4.36Å; T49-F53 WeakPolarHBondContact O-CD2 3.37Å; T49-F53 PolarHBondContact O-N 3.34Å; T49-F53 VanDerWaalsContact O-N 3.15Å; L50-F53 PolarHBondContact O-N 2.87Å; F53-I56 PolarHBondContact O-N 3.07Å; F53-F57 WeakPolarHBondContact O-CB 3.38Å; F53-F57 PolarHBondContact O-N 2.85Å |
| 54 | A | 79.6 | Confident | 76.9 | Confident | 19 Ų | 19 | 82.8 Ų | 82.8 | 16% | 0.157 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L26 L50 K52 F57 W58 | L26-A54 HydrophobicContact CD2-CB 3.65Å; L26-A54 HydrophobicContact CG-CB 4.41Å; L50-A54 WeakPolarHBondContact O-CB 3.33Å; L50-A54 PolarHBondContact O-N 2.96Å; K52-A54 VanDerWaalsContact C-N 3.33Å; K52-A54 PolarHBondContact O-N 2.97Å; A54-F57 PolarHBondContact O-N 3.23Å; A54-W58 PolarHBondContact O-N 3.39Å |
| 55 | C | 76.7 | Confident | 77.1 | Confident | 42 Ų | 42 | 81.8 Ų | 81.8 | 28% | 0.284 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 174.2 | -179 | 0 | 0 | 0 | 0 | 111.9 | S51 K52 F57 W58 Q59 | S51-C55 VanDerWaalsContact O-CB 3.3Å; S51-C55 WeakPolarHBondContact O-CB 3.48Å; S51-C55 PolarHBondContact O-N 3.22Å; K52-C55 PolarHBondContact O-N 2.99Å; C55-F57 VanDerWaalsContact C-N 3.35Å; C55-F57 PolarHBondContact O-N 2.88Å; C55-W58 PolarHBondContact O-N 3.49Å; C55-Q59 WeakPolarHBondContact O-CG 3.31Å; C55-Q59 PolarHBondContact O-N 3.14Å |
| 56 | I | 79.8 | Confident | 77.3 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 31% | 0.313 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 178.9 | -68.9 | 168.1 | 0 | 0 | 0 | 111.4 | W48 K52 F53 W58 Q59 A60 | W48-I56 HydrophobicContact CD2-CD1 4.31Å; W48-I56 HydrophobicContact CE3-CD1 3.56Å; W48-I56 HydrophobicContact CH2-CD1 3.41Å; W48-I56 VanDerWaalsContact CH2-CD1 3.41Å; W48-I56 HydrophobicContact CZ2-CD1 4.19Å; W48-I56 HydrophobicContact CZ3-CD1 3.07Å; W48-I56 HydrophobicContact CZ3-CG1 4.5Å; K52-I56 HydrophobicContact CG-CD1 4.05Å; K52-I56 VanDerWaalsContact O-CG1 3.31Å; K52-I56 WeakPolarHBondContact O-CG1 3.48Å; K52-I56 PolarHBondContact O-N 2.76Å; F53-I56 PolarHBondContact O-N 3.07Å; I56-W58 VanDerWaalsContact C-N 3.33Å; I56-W58 PolarHBondContact O-N 3.38Å; I56-Q59 PolarHBondContact O-N 2.9Å; I56-A60 WeakPolarHBondContact O-CB 3.39Å; I56-A60 PolarHBondContact O-N 3.22Å |
| 57 | F | 81.6 | Confident | 77.5 | Confident | 79 Ų | 79 | 83.2 Ų | 83.2 | 35% | 0.346 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.4 | 179.5 | -103.2 | 0 | 0 | 0 | 111.7 | L22 F53 A54 C55 A60 Q61 | L22-F57 HydrophobicContact CD1-CE1 4.24Å; L22-F57 HydrophobicContact CD1-CZ 4.37Å; F53-F57 WeakPolarHBondContact O-CB 3.38Å; F53-F57 PolarHBondContact O-N 2.85Å; A54-F57 PolarHBondContact O-N 3.23Å; C55-F57 VanDerWaalsContact C-N 3.35Å; C55-F57 PolarHBondContact O-N 2.88Å; F57-A60 PolarHBondContact O-N 3.48Å; F57-Q61 HydrophobicContact CD1-CG 4.33Å; F57-Q61 HydrophobicContact CE1-CG 3.96Å; F57-Q61 HydrophobicContact CE2-CG 4.35Å; F57-Q61 HydrophobicContact CZ-CG 3.97Å; F57-Q61 WeakPolarHBondContact O-CG 3.36Å; F57-Q61 PolarHBondContact O-N 2.9Å |
| 58 | W | 79.1 | Confident | 77.3 | Confident | 179 Ų | 179 | 80.7 Ų | 80.7 | 68% | 0.678 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 178.4 | -158.4 | 52.8 | 0 | 0 | 0 | 112 | A54 C55 I56 A60 Q61 A62 | A54-W58 PolarHBondContact O-N 3.39Å; C55-W58 PolarHBondContact O-N 3.49Å; I56-W58 VanDerWaalsContact C-N 3.33Å; I56-W58 PolarHBondContact O-N 3.38Å; W58-A60 VanDerWaalsContact C-N 3.32Å; W58-A60 PolarHBondContact O-N 2.94Å; W58-Q61 PolarHBondContact O-N 3.43Å; W58-A62 WeakPolarHBondContact O-CB 3.4Å; W58-A62 PolarHBondContact O-N 3.29Å |
| 59 | Q | 80 | Confident | 77 | Confident | 115 Ų | 115 | 85.1 Ų | 85.1 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 172 | -71.1 | 178.5 | 1.4 | 0 | 0 | 112 | C55 I56 A62 L63 | C55-Q59 WeakPolarHBondContact O-CG 3.31Å; C55-Q59 PolarHBondContact O-N 3.14Å; I56-Q59 PolarHBondContact O-N 2.9Å; Q59-A62 PolarHBondContact O-N 3.41Å; Q59-L63 WeakPolarHBondContact O-CB 3.35Å; Q59-L63 PolarHBondContact O-N 2.88Å |
| 60 | A | 79 | Confident | 76.4 | Confident | 55 Ų | 55 | 86.2 Ų | 86.2 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I56 F57 W58 L63 K64 | I56-A60 WeakPolarHBondContact O-CB 3.39Å; I56-A60 PolarHBondContact O-N 3.22Å; F57-A60 PolarHBondContact O-N 3.48Å; W58-A60 VanDerWaalsContact C-N 3.32Å; W58-A60 PolarHBondContact O-N 2.94Å; A60-L63 PolarHBondContact O-N 3.3Å; A60-K64 WeakPolarHBondContact O-CB 3.49Å; A60-K64 PolarHBondContact O-N 3.26Å |
| 61 | Q | 79.1 | Confident | 76.3 | Confident | 83 Ų | 83 | 87.6 Ų | 87.6 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 175.2 | -71.7 | -78.9 | 52.5 | 0 | 0 | 112.2 | F57 W58 K64 G65 | F57-Q61 HydrophobicContact CD1-CG 4.33Å; F57-Q61 HydrophobicContact CE1-CG 3.96Å; F57-Q61 HydrophobicContact CE2-CG 4.35Å; F57-Q61 HydrophobicContact CZ-CG 3.97Å; F57-Q61 WeakPolarHBondContact O-CG 3.36Å; F57-Q61 PolarHBondContact O-N 2.9Å; W58-Q61 PolarHBondContact O-N 3.43Å; Q61-K64 WeakPolarHBondContact O-CB 3.45Å; Q61-K64 PolarHBondContact O-N 3.06Å; Q61-G65 PolarHBondContact O-N 3.49Å |
| 62 | A | 73.6 | Confident | 76.2 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | W58 Q59 K64 G65 M66 | W58-A62 WeakPolarHBondContact O-CB 3.4Å; W58-A62 PolarHBondContact O-N 3.29Å; Q59-A62 PolarHBondContact O-N 3.41Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 3Å; A62-G65 PolarHBondContact O-N 3.17Å; A62-G65 VanDerWaalsContact O-N 3.17Å; A62-M66 WeakPolarHBondContact O-CG 3.42Å; A62-M66 PolarHBondContact O-N 3.43Å |
| 63 | L | 75.5 | Confident | 75.8 | Confident | 106 Ų | 106 | 89.9 Ų | 89.9 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60 | -43 | 175.3 | -178.3 | 63.6 | 0 | 0 | 0 | 111.8 | Q59 A60 G65 M66 T67 | Q59-L63 WeakPolarHBondContact O-CB 3.35Å; Q59-L63 PolarHBondContact O-N 2.88Å; A60-L63 PolarHBondContact O-N 3.3Å; L63-G65 VanDerWaalsContact C-N 3.3Å; L63-G65 PolarHBondContact O-N 2.88Å; L63-M66 WeakPolarHBondContact O-CB 3.49Å; L63-M66 PolarHBondContact O-N 3.15Å; L63-M66 VanDerWaalsContact O-N 3.15Å; L63-T67 HydrophobicContact CD1-CG2 4.45Å; L63-T67 HydrophobicContact CG-CG2 4.49Å; L63-T67 WeakPolarHBondContact O-CG2 3.37Å; L63-T67 PolarHBondContact O-N 3.39Å; L63-T67 PolarHBondContact O-OG1 3.03Å |
| 64 | K | 74.2 | Confident | 75.5 | Confident | 135 Ų | 135 | 90.7 Ų | 90.7 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57 | -44.7 | 175.5 | -175.8 | -169.9 | 173.4 | -163.5 | 0 | 111.3 | A60 Q61 A62 T67 A68 | A60-K64 WeakPolarHBondContact O-CB 3.49Å; A60-K64 PolarHBondContact O-N 3.26Å; Q61-K64 WeakPolarHBondContact O-CB 3.45Å; Q61-K64 PolarHBondContact O-N 3.06Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 3Å; K64-T67 WeakPolarHBondContact CA-OG1 3.41Å; K64-T67 PolarHBondContact O-N 2.77Å; K64-T67 PolarHBondContact O-OG1 3.02Å; K64-A68 PolarHBondContact O-N 3.36Å |
| 65 | G | 74 | Confident | 75.1 | Confident | 34 Ų | 34 | 94.9 Ų | 94.9 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -48.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q61 A62 L63 T67 A68 E69 | Q61-G65 PolarHBondContact O-N 3.49Å; A62-G65 PolarHBondContact O-N 3.17Å; A62-G65 VanDerWaalsContact O-N 3.17Å; L63-G65 VanDerWaalsContact C-N 3.3Å; L63-G65 PolarHBondContact O-N 2.88Å; G65-T67 VanDerWaalsContact C-N 3.31Å; G65-T67 PolarHBondContact O-N 2.84Å; G65-A68 WeakPolarHBondContact O-CB 3.41Å; G65-A68 PolarHBondContact O-N 3.3Å; G65-E69 PolarHBondContact O-N 3.3Å |
| 66 | M | 71.3 | Confident | 75 | Confident | 132 Ų | 132 | 96.1 Ų | 96.1 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.7 | -36.8 | 177.3 | -63.4 | 172.9 | 76.7 | 0 | 0 | 112.6 | A62 L63 A68 E69 Y70 | A62-M66 WeakPolarHBondContact O-CG 3.42Å; A62-M66 PolarHBondContact O-N 3.43Å; L63-M66 WeakPolarHBondContact O-CB 3.49Å; L63-M66 PolarHBondContact O-N 3.15Å; L63-M66 VanDerWaalsContact O-N 3.15Å; M66-A68 VanDerWaalsContact C-N 3.33Å; M66-E69 PolarHBondContact O-N 3.1Å; M66-Y70 PolarHBondContact O-N 3.36Å |
| 67 | T | 73.3 | Confident | 74.3 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 52% | 0.515 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.4 | -25.1 | 175.3 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | L63 K64 G65 E69 Y70 | L63-T67 HydrophobicContact CD1-CG2 4.45Å; L63-T67 HydrophobicContact CG-CG2 4.49Å; L63-T67 WeakPolarHBondContact O-CG2 3.37Å; L63-T67 PolarHBondContact O-N 3.39Å; L63-T67 PolarHBondContact O-OG1 3.03Å; K64-T67 WeakPolarHBondContact CA-OG1 3.41Å; K64-T67 PolarHBondContact O-N 2.77Å; K64-T67 PolarHBondContact O-OG1 3.02Å; G65-T67 VanDerWaalsContact C-N 3.31Å; G65-T67 PolarHBondContact O-N 2.84Å; T67-E69 VanDerWaalsContact C-N 3.31Å; T67-Y70 WeakPolarHBondContact O-CB 2.97Å; T67-Y70 PolarHBondContact O-N 3.29Å |
| 68 | A | 72.7 | Confident | 73.7 | Confident | 87 Ų | 87 | 98.8 Ų | 98.8 | 72% | 0.719 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.9 | -28.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K64 G65 M66 Y70 | K64-A68 PolarHBondContact O-N 3.36Å; G65-A68 WeakPolarHBondContact O-CB 3.41Å; G65-A68 PolarHBondContact O-N 3.3Å; M66-A68 VanDerWaalsContact C-N 3.33Å; A68-Y70 VanDerWaalsContact C-N 3.29Å |
| 69 | E | 72.2 | Confident | 73.1 | Confident | 163 Ų | 163 | 97.9 Ų | 97.9 | 76% | 0.762 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -84.5 | -4.1 | 172.9 | -64.9 | 176.5 | -161.3 | 0 | 0 | 112.7 | G65 M66 T67 D71 | G65-E69 PolarHBondContact O-N 3.3Å; M66-E69 PolarHBondContact O-N 3.1Å; T67-E69 VanDerWaalsContact C-N 3.31Å; E69-D71 PolarHBondContact O-N 3.42Å; E69-D71 VanDerWaalsContact O-N 3.1Å |
| 70 | Y | 72 | Confident | 72.5 | Confident | 106 Ų | 106 | 97.8 Ų | 97.8 | 42% | 0.416 | 58% | 0.58 | S | S | . | * | trans | -68 | 109.1 | -176.8 | -168.5 | -83.3 | 0 | 0 | 0 | 111.2 | M66 T67 A68 P72 M74 E75 | M66-Y70 PolarHBondContact O-N 3.36Å; T67-Y70 WeakPolarHBondContact O-CB 2.97Å; T67-Y70 PolarHBondContact O-N 3.29Å; A68-Y70 VanDerWaalsContact C-N 3.29Å; Y70-P72 HydrophobicContact CD1-CG 4.41Å; Y70-P72 HydrophobicContact CE1-CG 4.32Å; Y70-M74 VanDerWaalsContact CA-CE 3.48Å; Y70-M74 HydrophobicContact CD1-CE 3.88Å; Y70-M74 HydrophobicContact CD2-CE 2.85Å; Y70-M74 HydrophobicContact CE1-CE 4.13Å; Y70-M74 HydrophobicContact CE2-CE 3.12Å; Y70-M74 HydrophobicContact CG-CE 3.24Å; Y70-E75 WeakPolarHBondContact CE1-OE1 3.18Å; Y70-E75 WeakPolarHBondContact OH-CG 3.05Å; Y70-E75 PolarHBondContact OH-OE1 2.49Å | ||
| 71 | D | 74.2 | Confident | 71.9 | Confident | 84 Ų | 84 | 101.5 Ų | 101.5 | 45% | 0.449 | 59% | 0.593 | S | S | . | * | trans | -98.3 | 116 | 168.1 | -178.7 | -4 | 0 | 0 | 0 | 108.7 | E69 S73 M74 | E69-D71 PolarHBondContact O-N 3.42Å; E69-D71 VanDerWaalsContact O-N 3.1Å; D71-S73 PolarHBondContact O-N 2.96Å; D71-S73 VanDerWaalsContact OD1-CB 3.29Å; D71-S73 WeakPolarHBondContact OD1-CB 3.5Å; D71-S73 PolarHBondContact OD1-N 2.9Å; D71-S73 PolarHBondContact OD1-OG 3.07Å; D71-S73 PolarHBondContact OD2-OG 2.64Å; D71-M74 HydrophobicContact CB-SD 4.46Å; D71-M74 WeakPolarHBondContact O-CB 3.27Å; D71-M74 WeakPolarHBondContact O-CG 3.29Å; D71-M74 PolarHBondContact O-N 3.27Å | ||
| 72 | P | 71.6 | Confident | 71.3 | Confident | 85 Ų | 85 | 104.6 Ų | 104.6 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -51.4 | -23.5 | 174.4 | -26.2 | 34.5 | 0 | 0 | 0 | 114 | Y70 M74 E75 | Y70-P72 HydrophobicContact CD1-CG 4.41Å; Y70-P72 HydrophobicContact CE1-CG 4.32Å; P72-M74 PolarHBondContact O-N 2.82Å; P72-E75 VanDerWaalsContact O-CB 3.27Å; P72-E75 WeakPolarHBondContact O-CB 3.34Å; P72-E75 PolarHBondContact O-N 2.88Å |
| 73 | S | 72.6 | Confident | 70.7 | Confident | 91 Ų | 91 | 110.6 Ų | 110.6 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -64.8 | -19.7 | 174.1 | 88.2 | 0 | 0 | 0 | 0 | 113.9 | D71 E75 | D71-S73 PolarHBondContact O-N 2.96Å; D71-S73 VanDerWaalsContact OD1-CB 3.29Å; D71-S73 WeakPolarHBondContact OD1-CB 3.5Å; D71-S73 PolarHBondContact OD1-N 2.9Å; D71-S73 PolarHBondContact OD1-OG 3.07Å; D71-S73 PolarHBondContact OD2-OG 2.64Å; S73-E75 VanDerWaalsContact C-N 3.29Å |
| 74 | M | 72.9 | Confident | 70.3 | Confident | 108 Ų | 108 | 113.4 Ų | 113.4 | 53% | 0.532 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -80.1 | -12.4 | 174.4 | 85.9 | -159.2 | 171.1 | 0 | 0 | 112.7 | Y70 D71 P72 G76 | Y70-M74 VanDerWaalsContact CA-CE 3.48Å; Y70-M74 HydrophobicContact CD1-CE 3.88Å; Y70-M74 HydrophobicContact CD2-CE 2.85Å; Y70-M74 HydrophobicContact CE1-CE 4.13Å; Y70-M74 HydrophobicContact CE2-CE 3.12Å; Y70-M74 HydrophobicContact CG-CE 3.24Å; D71-M74 HydrophobicContact CB-SD 4.46Å; D71-M74 WeakPolarHBondContact O-CB 3.27Å; D71-M74 WeakPolarHBondContact O-CG 3.29Å; D71-M74 PolarHBondContact O-N 3.27Å; P72-M74 PolarHBondContact O-N 2.82Å; M74-G76 VanDerWaalsContact C-N 3.3Å; M74-G76 PolarHBondContact O-N 2.96Å |
| 75 | E | 72.6 | Confident | 69.9 | Low | 108 Ų | 108 | 116.6 Ų | 116.6 | 51% | 0.505 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -66.6 | 97.6 | 159.1 | -62.1 | 177.7 | -153.7 | 0 | 0 | 106.9 | Y70 P72 S73 G77 | Y70-E75 WeakPolarHBondContact CE1-OE1 3.18Å; Y70-E75 WeakPolarHBondContact OH-CG 3.05Å; Y70-E75 PolarHBondContact OH-OE1 2.49Å; P72-E75 VanDerWaalsContact O-CB 3.27Å; P72-E75 WeakPolarHBondContact O-CB 3.34Å; P72-E75 PolarHBondContact O-N 2.88Å; S73-E75 VanDerWaalsContact C-N 3.29Å; E75-G77 PolarHBondContact O-N 2.94Å |
| 76 | G | 72.6 | Confident | 69.4 | Low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 67% | 0.666 | S | S | * | * | trans | -53.2 | 111.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | M74 V78 | M74-G76 VanDerWaalsContact C-N 3.3Å; M74-G76 PolarHBondContact O-N 2.96Å; G76-V78 PolarHBondContact O-N 2.88Å | ||
| 77 | G | 67.1 | Low | 68.5 | Low | 71 Ų | 71 | 126.6 Ų | 126.6 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | trans | -45.3 | 114.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E75 M79 | E75-G77 PolarHBondContact O-N 2.94Å; G77-M79 VanDerWaalsContact C-N 3.31Å; G77-M79 PolarHBondContact O-N 2.86Å | ||
| 78 | V | 67.4 | Low | 68.3 | Low | 125 Ų | 125 | 128.8 Ų | 128.8 | 76% | 0.758 | 69% | 0.69 | S | S | * | * | trans | -65.1 | 102.3 | 172.9 | 175.2 | 0 | 0 | 0 | 0 | 105.3 | G76 V80 | G76-V78 PolarHBondContact O-N 2.88Å; V78-V80 VanDerWaalsContact C-N 3.25Å; V78-V80 HydrophobicContact CG1-CG2 4.47Å; V78-V80 PolarHBondContact O-N 2.82Å | ||
| 79 | M | 66.9 | Low | 68.1 | Low | 160 Ų | 160 | 130.9 Ų | 130.9 | 79% | 0.788 | 69% | 0.689 | S | S | * | * | trans | -64.9 | 95.4 | 173.8 | -147.3 | -170.4 | -43.5 | 0 | 0 | 105.9 | G77 N81 | G77-M79 VanDerWaalsContact C-N 3.31Å; G77-M79 PolarHBondContact O-N 2.86Å; M79-N81 VanDerWaalsContact C-N 3.26Å; M79-N81 PolarHBondContact O-N 3.44Å | ||
| 80 | V | 68.6 | Low | 67.8 | Low | 113 Ų | 113 | 129.2 Ų | 129.2 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | trans | -68.1 | 96.5 | 172 | -179.6 | 0 | 0 | 0 | 0 | 105.3 | V78 E82 | V78-V80 VanDerWaalsContact C-N 3.25Å; V78-V80 HydrophobicContact CG1-CG2 4.47Å; V78-V80 PolarHBondContact O-N 2.82Å; V80-E82 HydrophobicContact CG1-CG 4.28Å; V80-E82 PolarHBondContact O-N 3.17Å | ||
| 81 | N | 66.2 | Low | 67.6 | Low | 133 Ų | 133 | 130.5 Ų | 130.5 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | trans | -65.8 | 91.6 | 162.3 | -75.1 | -25.2 | 0 | 0 | 0 | 105.7 | M79 E83 | M79-N81 VanDerWaalsContact C-N 3.26Å; M79-N81 PolarHBondContact O-N 3.44Å; N81-E83 PolarHBondContact O-N 3.32Å | ||
| 82 | E | 66.4 | Low | 67.2 | Low | 148 Ų | 148 | 133.4 Ų | 133.4 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | -61.1 | 86.6 | 157.7 | -76.7 | -172.6 | 167.4 | 0 | 0 | 106.3 | V80 K84 | V80-E82 HydrophobicContact CG1-CG 4.28Å; V80-E82 PolarHBondContact O-N 3.17Å; E82-K84 PolarHBondContact O-N 3.2Å | ||
| 83 | E | 60.9 | Low | 66.9 | Low | 183 Ų | 183 | 136.7 Ų | 136.7 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | trans | -60.4 | 90.7 | 158 | -94.8 | -172.7 | 142.5 | 0 | 0 | 105.9 | N81 R85 | N81-E83 PolarHBondContact O-N 3.32Å; E83-R85 PolarHBondContact O-N 2.76Å | ||
| 84 | K | 66.2 | Low | 66.5 | Low | 164 Ų | 164 | 139.9 Ų | 139.9 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | -62.1 | 89.7 | 163.3 | -62.2 | -147 | 179.5 | -163 | 0 | 106 | E82 L86 | E82-K84 PolarHBondContact O-N 3.2Å; K84-L86 PolarHBondContact O-N 2.86Å | ||
| 85 | R | 66.8 | Low | 66 | Low | 202 Ų | 202 | 142.4 Ų | 142.4 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -65.2 | 84.8 | 169.9 | -172.2 | 174.3 | -177.9 | 169.5 | 4.2 | 107.1 | E83 H87 | E83-R85 PolarHBondContact O-N 2.76Å; R85-H87 WeakPolarHBondContact CG-CE1 3.43Å; R85-H87 WeakPolarHBondContact CG-ND1 3.39Å; R85-H87 PolarHBondContact NE-CE1 2.79Å; R85-H87 VanDerWaalsContact NE-CE1 3.32Å; R85-H87 PolarHBondContact NE-NE2 2.76Å; R85-H87 VanDerWaalsContact NE-NE2 3.17Å; R85-H87 PolarHBondContact NH2-NE2 3.06Å; R85-H87 PolarHBondContact O-N 2.79Å | ||
| 86 | L | 62.2 | Low | 65.4 | Low | 163 Ų | 163 | 145.3 Ų | 145.3 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -61.9 | 98.2 | 167.1 | -74.4 | 157 | 0 | 0 | 0 | 107.3 | K84 | K84-L86 PolarHBondContact O-N 2.86Š| ||
| 87 | H | 53.9 | Low | 64.8 | Low | 214 Ų | 214 | 152.4 Ų | 152.4 | 99% | 0.991 | 78% | 0.776 | S | S | * | * | trans | -127.3 | 0 | 160.6 | -67.5 | 30.6 | 0 | 0 | 0 | 106.9 | R85 | R85-H87 WeakPolarHBondContact CG-CE1 3.43Å; R85-H87 WeakPolarHBondContact CG-ND1 3.39Å; R85-H87 PolarHBondContact NE-CE1 2.79Å; R85-H87 VanDerWaalsContact NE-CE1 3.32Å; R85-H87 PolarHBondContact NE-NE2 2.76Å; R85-H87 VanDerWaalsContact NE-NE2 3.17Å; R85-H87 PolarHBondContact NH2-NE2 3.06Å; R85-H87 PolarHBondContact O-N 2.79Å |
Retrieved 87 of 87 residues in 22.3 ms
(Link to these results)