| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59 | Low | 66.8 | Low | 146 Ų | 146 | 121.5 Ų | 121.5 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | 0 | -15 | 0 | -60.2 | -149.1 | -163.5 | 0 | 0 | 115 | K3 M4 Y6 L12 V20 | M1-K3 PolarHBondContact O-N 3.37Å; M1-M4 WeakPolarHBondContact O-CB 3.46Å; M1-M4 PolarHBondContact O-N 3.34Å; M1-Y6 HydrophobicContact CB-CD1 3.74Å; M1-Y6 HydrophobicContact CB-CG 3.96Å; M1-Y6 HydrophobicContact SD-CG 4.47Å; M1-L12 HydrophobicContact SD-CD1 4.05Å; M1-V20 HydrophobicContact CE-CG1 4.14Å; M1-V20 HydrophobicContact SD-CG1 3.83Å | |||
| 2 | R | 63.5 | Low | 66.6 | Low | 231 Ų | 231 | 119.1 Ų | 119.1 | 87% | 0.872 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -54.8 | -34.3 | 177.9 | -157.9 | -177.2 | -54.8 | 139.1 | 4.3 | 114.8 | M4 G5 | R2-M4 PolarHBondContact O-N 3.05Å; R2-G5 PolarHBondContact O-N 2.91Å |
| 3 | K | 71.9 | Confident | 66.6 | Low | 210 Ų | 210 | 113.8 Ų | 113.8 | 91% | 0.913 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -65.3 | -15.1 | 176.8 | -162.4 | 173.7 | 180 | -177.9 | 0 | 113.8 | M1 | M1-K3 PolarHBondContact O-N 3.37Š|
| 4 | M | 66.6 | Low | 66.6 | Low | 153 Ų | 153 | 116.6 Ų | 116.6 | 75% | 0.754 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -103.5 | 8.8 | 179.6 | -58.9 | -68.8 | -74.1 | 0 | 0 | 112.8 | M1 R2 Y6 | M1-M4 WeakPolarHBondContact O-CB 3.46Å; M1-M4 PolarHBondContact O-N 3.34Å; R2-M4 PolarHBondContact O-N 3.05Å; M4-Y6 VanDerWaalsContact C-N 3.34Å |
| 5 | G | 67.2 | Low | 66.9 | Low | 61 Ų | 61 | 116.4 Ų | 116.4 | 63% | 0.629 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.4 | 16.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R2 | R2-G5 PolarHBondContact O-N 2.91Š|
| 6 | Y | 69.8 | Low | 66.6 | Low | 52 Ų | 52 | 112.6 Ų | 112.6 | 20% | 0.204 | 61% | 0.613 | C | S | . | * | P | Polyproline II helix | trans | -75.2 | 123.7 | 176.5 | 172.2 | -101.4 | 0 | 0 | 0 | 111.9 | M1 M4 Q10 L12 V20 | M1-Y6 HydrophobicContact CB-CD1 3.74Å; M1-Y6 HydrophobicContact CB-CG 3.96Å; M1-Y6 HydrophobicContact SD-CG 4.47Å; M4-Y6 VanDerWaalsContact C-N 3.34Å; Y6-Q10 VanDerWaalsContact CE2-O 3.29Å; Y6-Q10 WeakPolarHBondContact CE2-O 3.4Å; Y6-L12 HydrophobicContact CD2-CD1 4.2Å; Y6-V20 HydrophobicContact CD2-CB 4.27Å; Y6-V20 HydrophobicContact CD2-CG1 3.91Å; Y6-V20 HydrophobicContact CD2-CG2 4.21Å; Y6-V20 HydrophobicContact CE2-CB 3.45Å; Y6-V20 VanDerWaalsContact CE2-CB 3.45Å; Y6-V20 HydrophobicContact CE2-CG1 3.39Å; Y6-V20 HydrophobicContact CE2-CG2 3.73Å |
| 7 | E | 68.6 | Low | 66.4 | Low | 136 Ų | 136 | 114 Ų | 114 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 145.9 | 164.5 | -63 | -166.3 | 163 | 0 | 0 | 110.9 | G9 Q10 | E7-G9 PolarHBondContact O-N 3.08Å; E7-Q10 HydrophobicContact CB-CB 4.45Å; E7-Q10 WeakPolarHBondContact O-CB 3.43Å; E7-Q10 PolarHBondContact O-N 3.35Å |
| 8 | H | 66.4 | Low | 66 | Low | 164 Ų | 164 | 110.4 Ų | 110.4 | 76% | 0.759 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 124.5 | 179.9 | -178.3 | 66.8 | 0 | 0 | 0 | 110.4 | ||
| 9 | G | 68.2 | Low | 65.8 | Low | 65 Ų | 65 | 111.2 Ų | 111.2 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.9 | -3.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E7 | E7-G9 PolarHBondContact O-N 3.08Š|
| 10 | Q | 67.9 | Low | 65.7 | Low | 101 Ų | 101 | 107.2 Ų | 107.2 | 47% | 0.472 | 60% | 0.595 | S | S | . | * | trans | -99.7 | 130.9 | 179.3 | -155.8 | 176.3 | 1.6 | 0 | 0 | 111.7 | Y6 E7 V20 | Y6-Q10 VanDerWaalsContact CE2-O 3.29Å; Y6-Q10 WeakPolarHBondContact CE2-O 3.4Å; E7-Q10 HydrophobicContact CB-CB 4.45Å; E7-Q10 WeakPolarHBondContact O-CB 3.43Å; E7-Q10 PolarHBondContact O-N 3.35Å; Q10-V20 WeakPolarHBondContact O-CG2 3.48Å | ||
| 11 | G | 65.3 | Low | 65.7 | Low | 18 Ų | 18 | 107.5 Ų | 107.5 | 19% | 0.186 | 59% | 0.592 | C | S | . | * | trans | -70.3 | 145 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G13 A16 G18 | G11-G13 PolarHBondContact O-N 3.42Å; G11-A16 WeakPolarHBondContact CA-O 3.44Å; G11-G18 WeakPolarHBondContact CA-O 3.41Å | ||
| 12 | L | 65.4 | Low | 65.9 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 48% | 0.482 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -87.5 | 93 | 179.3 | -103.2 | 150.4 | 0 | 0 | 0 | 110.3 | M1 Y6 H17 V20 | M1-L12 HydrophobicContact SD-CD1 4.05Å; Y6-L12 HydrophobicContact CD2-CD1 4.2Å; L12-H17 CarbonylContact C-O 3.59Å; L12-H17 VanDerWaalsContact O-O 3.11Å; L12-V20 HydrophobicContact CB-CG2 3.86Å; L12-V20 HydrophobicContact CD1-CB 4.47Å; L12-V20 HydrophobicContact CD1-CG1 3.78Å; L12-V20 HydrophobicContact CD1-CG2 3.76Å; L12-V20 HydrophobicContact CG-CG2 4.1Å |
| 13 | G | 66.5 | Low | 66.1 | Low | 50 Ų | 50 | 101.5 Ų | 101.5 | 52% | 0.515 | 59% | 0.591 | S | S | . | * | S | Bend | trans | 168.9 | 166.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G11 N15 A16 | G11-G13 PolarHBondContact O-N 3.42Å; G13-N15 PolarHBondContact O-N 3Å; G13-N15 VanDerWaalsContact O-N 3.11Å; G13-A16 PolarHBondContact O-N 3.04Å |
| 14 | V | 66.7 | Low | 65.8 | Low | 154 Ų | 154 | 95.9 Ų | 95.9 | 93% | 0.933 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -28.3 | -178.1 | -171.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 15 | N | 69.9 | Low | 65.6 | Low | 113 Ų | 113 | 96.1 Ų | 96.1 | 60% | 0.604 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 19.2 | 178.9 | -63.2 | -13.4 | 0 | 0 | 0 | 113.1 | G13 H17 | G13-N15 PolarHBondContact O-N 3Å; G13-N15 VanDerWaalsContact O-N 3.11Å; N15-H17 WeakPolarHBondContact CB-CD2 3.18Å; N15-H17 WeakPolarHBondContact CB-NE2 3.05Å; N15-H17 PolarHBondContact O-CE1 3.48Å; N15-H17 PolarHBondContact O-N 3.05Å; N15-H17 VanDerWaalsContact O-N 3.09Å; N15-H17 PolarHBondContact O-ND1 3.06Å |
| 16 | A | 63.5 | Low | 65.3 | Low | 56 Ų | 56 | 98 Ų | 98 | 46% | 0.463 | 59% | 0.591 | S | S | . | * | S | Bend | trans | 52.5 | 29 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G11 G13 | G11-A16 WeakPolarHBondContact CA-O 3.44Å; G13-A16 PolarHBondContact O-N 3.04Å |
| 17 | H | 62.4 | Low | 64.9 | Low | 136 Ų | 136 | 105.2 Ų | 105.2 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | trans | -87.2 | 131.9 | 176.7 | -65 | -28.2 | 0 | 0 | 0 | 110.3 | L12 N15 | L12-H17 CarbonylContact C-O 3.59Å; L12-H17 VanDerWaalsContact O-O 3.11Å; N15-H17 WeakPolarHBondContact CB-CD2 3.18Å; N15-H17 WeakPolarHBondContact CB-NE2 3.05Å; N15-H17 PolarHBondContact O-CE1 3.48Å; N15-H17 PolarHBondContact O-N 3.05Å; N15-H17 VanDerWaalsContact O-N 3.09Å; N15-H17 PolarHBondContact O-ND1 3.06Å | ||
| 18 | G | 60.1 | Low | 64.3 | Low | 49 Ų | 49 | 104 Ų | 104 | 51% | 0.505 | 62% | 0.618 | S | S | . | * | S | Bend | trans | 123.5 | 116.7 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | G11 V20 | G11-G18 WeakPolarHBondContact CA-O 3.41Å; G18-V20 PolarHBondContact O-N 2.78Å |
| 19 | V | 61.3 | Low | 63.8 | Low | 125 Ų | 125 | 103.9 Ų | 103.9 | 76% | 0.758 | 62% | 0.615 | S | S | * | * | trans | -71.2 | 111.4 | 170.3 | 178.9 | 0 | 0 | 0 | 0 | 107.2 | E21 | V19-E21 VanDerWaalsContact C-N 3.3Å; V19-E21 HydrophobicContact CG1-CB 3.77Å; V19-E21 HydrophobicContact CG1-CG 4.44Å | ||
| 20 | V | 64.8 | Low | 63.3 | Low | 32 Ų | 32 | 104.7 Ų | 104.7 | 19% | 0.194 | 62% | 0.623 | C | S | . | * | trans | -89.3 | -7.5 | 174.4 | -165.3 | 0 | 0 | 0 | 0 | 110.7 | M1 Y6 Q10 L12 G18 | M1-V20 HydrophobicContact CE-CG1 4.14Å; M1-V20 HydrophobicContact SD-CG1 3.83Å; Y6-V20 HydrophobicContact CD2-CB 4.27Å; Y6-V20 HydrophobicContact CD2-CG1 3.91Å; Y6-V20 HydrophobicContact CD2-CG2 4.21Å; Y6-V20 HydrophobicContact CE2-CB 3.45Å; Y6-V20 VanDerWaalsContact CE2-CB 3.45Å; Y6-V20 HydrophobicContact CE2-CG1 3.39Å; Y6-V20 HydrophobicContact CE2-CG2 3.73Å; Q10-V20 WeakPolarHBondContact O-CG2 3.48Å; L12-V20 HydrophobicContact CB-CG2 3.86Å; L12-V20 HydrophobicContact CD1-CB 4.47Å; L12-V20 HydrophobicContact CD1-CG1 3.78Å; L12-V20 HydrophobicContact CD1-CG2 3.76Å; L12-V20 HydrophobicContact CG-CG2 4.1Å; G18-V20 PolarHBondContact O-N 2.78Å | ||
| 21 | E | 64.2 | Low | 63 | Low | 114 Ų | 114 | 109.1 Ų | 109.1 | 53% | 0.533 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -61.3 | 134.2 | 168.4 | -64.1 | -154 | 154.5 | 0 | 0 | 109.2 | V19 V23 | V19-E21 VanDerWaalsContact C-N 3.3Å; V19-E21 HydrophobicContact CG1-CB 3.77Å; V19-E21 HydrophobicContact CG1-CG 4.44Å; E21-V23 PolarHBondContact O-N 3.5Å; E21-V23 VanDerWaalsContact O-N 3.08Å |
| 22 | P | 64.1 | Low | 62.8 | Low | 124 Ų | 124 | 112.7 Ų | 112.7 | 81% | 0.805 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 122.7 | 175.4 | 21.7 | -30 | 0 | 0 | 0 | 108.3 | A24 | P22-A24 PolarHBondContact O-N 3.24Š|
| 23 | V | 68.2 | Low | 62.5 | Low | 127 Ų | 127 | 111 Ų | 111 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -54 | 119.7 | 173.1 | 177.2 | 0 | 0 | 0 | 0 | 106.7 | E21 L25 | E21-V23 PolarHBondContact O-N 3.5Å; E21-V23 VanDerWaalsContact O-N 3.08Å; V23-L25 PolarHBondContact O-N 3.5Å |
| 24 | A | 65.6 | Low | 61.8 | Low | 92 Ų | 92 | 117.9 Ų | 117.9 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | trans | -54.7 | 112.5 | 176 | 0 | 0 | 0 | 0 | 0 | 107.4 | P22 S26 | P22-A24 PolarHBondContact O-N 3.24Å; A24-S26 PolarHBondContact O-N 3.19Å | ||
| 25 | L | 62 | Low | 61.3 | Low | 157 Ų | 157 | 114.3 Ų | 114.3 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -55.2 | 127.8 | 176.9 | -66.9 | 174.3 | 0 | 0 | 0 | 107.1 | V23 K27 | V23-L25 PolarHBondContact O-N 3.5Å; L25-K27 PolarHBondContact O-N 3.02Å | ||
| 26 | S | 60.8 | Low | 60.6 | Low | 101 Ų | 101 | 112.6 Ų | 112.6 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | -49.3 | 116.7 | 168.9 | 178.1 | 0 | 0 | 0 | 0 | 106.9 | A24 Q28 | A24-S26 PolarHBondContact O-N 3.19Å; S26-Q28 PolarHBondContact O-N 3.03Å | ||
| 27 | K | 61 | Low | 60 | Low | 204 Ų | 204 | 115.8 Ų | 115.8 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | trans | -73.3 | 61.3 | 170.7 | -65.3 | -165.4 | -178.3 | -175.2 | 0 | 107.7 | L25 K29 | L25-K27 PolarHBondContact O-N 3.02Å; K27-K29 PolarHBondContact O-N 2.82Å | ||
| 28 | Q | 56.3 | Low | 59.6 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 52% | 0.519 | 70% | 0.701 | S | S | . | * | trans | -68.2 | 95.5 | 170.6 | -162.5 | 171.4 | -4.5 | 0 | 0 | 106.1 | S26 G30 R31 | S26-Q28 PolarHBondContact O-N 3.03Å; Q28-G30 PolarHBondContact O-N 3.47Å; Q28-R31 PolarHBondContact O-N 2.84Å | ||
| 29 | K | 54.8 | Low | 59 | Low | 160 Ų | 160 | 121.1 Ų | 121.1 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 115.2 | -176.7 | -179.4 | 167.1 | 166.1 | -175.8 | 0 | 108.2 | K27 K45 | K27-K29 PolarHBondContact O-N 2.82Å; K29-K45 HydrophobicContact CD-CD 4.4Å |
| 30 | G | 59 | Low | 58.2 | Low | 82 Ų | 82 | 122.3 Ų | 122.3 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.4 | -7 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | Q28 | Q28-G30 PolarHBondContact O-N 3.47Š|
| 31 | R | 60.2 | Low | 57 | Low | 194 Ų | 194 | 125.4 Ų | 125.4 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | -117.5 | 96.5 | 175.8 | -65.8 | -177 | 73.6 | 165 | 1.3 | 110.1 | Q28 | Q28-R31 PolarHBondContact O-N 2.84Š| ||
| 32 | S | 61.8 | Low | 56 | Low | 93 Ų | 93 | 125.3 Ų | 125.3 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 131.5 | 170.5 | -166.9 | 0 | 0 | 0 | 0 | 109 | S36 | S32-S36 WeakPolarHBondContact OG-CB 3.31Å; S32-S36 PolarHBondContact OG-OG 3.22Å |
| 33 | G | 58.8 | Low | 54.9 | Low | 58 Ų | 58 | 123.3 Ų | 123.3 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 155.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G35 S36 | G33-G35 PolarHBondContact O-N 2.93Å; G33-S36 PolarHBondContact O-N 3.05Å |
| 34 | L | 53.3 | Low | 53.6 | Low | 194 Ų | 194 | 125.4 Ų | 125.4 | 100% | 1.016 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 119.3 | 171.3 | -72.7 | 161.5 | 0 | 0 | 0 | 109.5 | ||
| 35 | G | 55.3 | Low | 52.7 | Low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.6 | -2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G33 V37 | G33-G35 PolarHBondContact O-N 2.93Å; G35-V37 PolarHBondContact O-N 2.88Å; G35-V37 VanDerWaalsContact O-N 3.12Å |
| 36 | S | 54.2 | Low | 51.7 | Low | 78 Ų | 78 | 128.1 Ų | 128.1 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | trans | -72.3 | 104.5 | 173.5 | -156.2 | 0 | 0 | 0 | 0 | 110.4 | S32 G33 K38 | S32-S36 WeakPolarHBondContact OG-CB 3.31Å; S32-S36 PolarHBondContact OG-OG 3.22Å; G33-S36 PolarHBondContact O-N 3.05Å; S36-K38 PolarHBondContact O-N 3.06Å; S36-K38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | V | 51.6 | Low | 51.3 | Low | 122 Ų | 122 | 130.4 Ų | 130.4 | 74% | 0.739 | 74% | 0.737 | S | S | * | * | trans | -63.6 | 113.6 | 173.2 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | G35 T39 | G35-V37 PolarHBondContact O-N 2.88Å; G35-V37 VanDerWaalsContact O-N 3.12Å; V37-T39 PolarHBondContact O-N 3.25Å | ||
| 38 | K | 53.9 | Low | 50.6 | Low | 193 Ų | 193 | 129.3 Ų | 129.3 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | trans | -64.3 | 83.3 | 171.4 | -65.1 | -179.4 | -177 | 178.3 | 0 | 108.3 | S36 T40 | S36-K38 PolarHBondContact O-N 3.06Å; S36-K38 VanDerWaalsContact O-N 3.15Å; K38-T40 PolarHBondContact O-N 2.94Å | ||
| 39 | T | 48.3 | Very low | 50.1 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 64% | 0.638 | 74% | 0.739 | S | S | * | * | trans | -64.5 | 125.5 | 162.3 | 53.4 | 0 | 0 | 0 | 0 | 106.5 | V37 S41 | V37-T39 PolarHBondContact O-N 3.25Å; T39-S41 PolarHBondContact O-N 3.43Å | ||
| 40 | T | 43.8 | Very low | 49.8 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 92% | 0.92 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -56.1 | 80.5 | 179.7 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | K38 | K38-T40 PolarHBondContact O-N 2.94Š|
| 41 | S | 39.5 | Very low | 49.5 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | -161.5 | 46.7 | 168.3 | 55.2 | 0 | 0 | 0 | 0 | 108.6 | T39 S43 | T39-S41 PolarHBondContact O-N 3.43Å; S41-S43 VanDerWaalsContact C-N 3.33Å; S41-S43 PolarHBondContact O-N 3.37Å | ||
| 42 | S | 42.8 | Very low | 49.3 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | -76.1 | 88.2 | 176.2 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 43 | S | 42.4 | Very low | 49.1 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 57% | 0.573 | 74% | 0.744 | S | S | * | * | trans | 25.8 | 102.2 | 142.4 | 59 | 0 | 0 | 0 | 0 | 117.6 | S41 K45 | S41-S43 VanDerWaalsContact C-N 3.33Å; S41-S43 PolarHBondContact O-N 3.37Å; S43-K45 PolarHBondContact O-N 3.44Å | ||
| 44 | D | 40.7 | Very low | 49.3 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 91% | 0.914 | 75% | 0.753 | S | S | * | * | trans | -60.2 | 81.8 | 150.7 | -68.6 | -48.3 | 0 | 0 | 0 | 109.6 | ||||
| 45 | K | 46.7 | Very low | 49.6 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 56% | 0.557 | 74% | 0.741 | S | S | * | * | trans | -103.1 | 85.4 | 151.1 | -74.1 | -177.5 | 176.5 | 154.8 | 0 | 105.2 | K29 S43 I47 | K29-K45 HydrophobicContact CD-CD 4.4Å; S43-K45 PolarHBondContact O-N 3.44Å; K45-I47 PolarHBondContact O-N 3.44Å | ||
| 46 | K | 41.2 | Very low | 50 | Low | 177 Ų | 177 | 137.7 Ų | 137.7 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -33.2 | 103.7 | 161.2 | -175.8 | -178 | -176.5 | -168.9 | 0 | 107.1 | E48 | K46-E48 PolarHBondContact O-N 2.96Š| ||
| 47 | I | 52.1 | Low | 50.6 | Low | 150 Ų | 150 | 134.9 Ų | 134.9 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | -48.6 | 119.9 | 161.2 | -63.8 | 169.7 | 0 | 0 | 0 | 103 | K45 S49 | K45-I47 PolarHBondContact O-N 3.44Å; I47-S49 VanDerWaalsContact C-N 3.26Å; I47-S49 PolarHBondContact O-N 3.03Å | ||
| 48 | E | 45.8 | Very low | 51.8 | Low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -51.7 | 103.6 | 173.7 | -82.4 | 179.8 | 162.4 | 0 | 0 | 105.8 | K46 F50 | K46-E48 PolarHBondContact O-N 2.96Å; E48-F50 PolarHBondContact O-N 3.35Å | ||
| 49 | S | 45.7 | Very low | 52.6 | Low | 87 Ų | 87 | 128.3 Ų | 128.3 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | trans | -59.5 | 111.3 | -177.3 | -50.4 | 0 | 0 | 0 | 0 | 104.8 | I47 S51 | I47-S49 VanDerWaalsContact C-N 3.26Å; I47-S49 PolarHBondContact O-N 3.03Å; S49-S51 PolarHBondContact O-N 3.43Å | ||
| 50 | F | 48.2 | Very low | 53.8 | Low | 182 Ų | 182 | 133.9 Ų | 133.9 | 80% | 0.798 | 71% | 0.708 | S | S | * | * | trans | -51.8 | 109.7 | 176.6 | -152.1 | -96.3 | 0 | 0 | 0 | 106.4 | E48 G52 | E48-F50 PolarHBondContact O-N 3.35Å; F50-G52 PolarHBondContact O-N 2.94Å | ||
| 51 | S | 53.1 | Low | 55.3 | Low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 69% | 0.686 | S | S | * | * | trans | -86.8 | 6.9 | -175.2 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | S49 | S49-S51 PolarHBondContact O-N 3.43Š| ||
| 52 | G | 55.9 | Low | 57 | Low | 38 Ų | 38 | 127.8 Ų | 127.8 | 39% | 0.392 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -72.5 | 147.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | F50 L54 | F50-G52 PolarHBondContact O-N 2.94Å; G52-L54 PolarHBondContact O-N 2.88Å |
| 53 | E | 57.9 | Low | 58.5 | Low | 202 Ų | 202 | 125.2 Ų | 125.2 | 94% | 0.944 | 64% | 0.642 | S | S | * | * | trans | -52.8 | 110.1 | 164.2 | -71.5 | 179 | 160.7 | 0 | 0 | 107.2 | Y55 | E53-Y55 PolarHBondContact O-N 3.47Å; E53-Y55 VanDerWaalsContact O-N 3.17Å | ||
| 54 | L | 62.4 | Low | 60.1 | Low | 149 Ų | 149 | 128.9 Ų | 128.9 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | trans | -52.5 | 126.4 | 169.7 | -82.9 | 161.2 | 0 | 0 | 0 | 106.5 | G52 Q56 | G52-L54 PolarHBondContact O-N 2.88Å; L54-Q56 PolarHBondContact O-N 3.04Å | ||
| 55 | Y | 60.5 | Low | 61.6 | Low | 196 Ų | 196 | 123.3 Ų | 123.3 | 77% | 0.769 | 61% | 0.612 | S | S | * | * | trans | -53.6 | 112.5 | 175.9 | 174.4 | -92.9 | 0 | 0 | 0 | 108.4 | E53 | E53-Y55 PolarHBondContact O-N 3.47Å; E53-Y55 VanDerWaalsContact O-N 3.17Å | ||
| 56 | Q | 62.4 | Low | 62.7 | Low | 165 Ų | 165 | 122.5 Ų | 122.5 | 77% | 0.771 | 61% | 0.61 | S | S | * | * | trans | -98.4 | 121.8 | 175.6 | -164.1 | 171.4 | 6.2 | 0 | 0 | 107.2 | L54 S58 | L54-Q56 PolarHBondContact O-N 3.04Å; Q56-S58 PolarHBondContact O-N 2.89Å | ||
| 57 | S | 67.8 | Low | 63.8 | Low | 19 Ų | 19 | 115.2 Ų | 115.2 | 13% | 0.133 | 59% | 0.585 | C | S | . | * | trans | -52 | 139.3 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | N59 L62 | S57-N59 PolarHBondContact O-N 2.94Å; S57-N59 PolarHBondContact OG-N 3.34Å; S57-L62 WeakPolarHBondContact OG-CD1 3.13Å | ||
| 58 | S | 76.1 | Confident | 64.1 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 85% | 0.853 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -60.2 | -23.4 | 171.5 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | Q56 | Q56-S58 PolarHBondContact O-N 2.89Š|
| 59 | N | 72.3 | Confident | 64.6 | Low | 55 Ų | 55 | 108.8 Ų | 108.8 | 29% | 0.294 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -86.7 | 108.8 | 172.8 | -169.9 | -14.8 | 0 | 0 | 0 | 110.2 | S57 N61 L62 M85 | S57-N59 PolarHBondContact O-N 2.94Å; S57-N59 PolarHBondContact OG-N 3.34Å; N59-N61 PolarHBondContact O-N 3.07Å; N59-N61 VanDerWaalsContact O-N 3.16Å; N59-N61 WeakPolarHBondContact OD1-CB 3.47Å; N59-N61 PolarHBondContact OD1-N 3.5Å; N59-N61 VanDerWaalsContact OD1-N 3.09Å; N59-L62 HydrophobicContact CB-CB 4.48Å; N59-L62 HydrophobicContact CB-CD1 3.67Å; N59-L62 HydrophobicContact CB-CG 4.14Å; N59-L62 PolarHBondContact O-N 3.16Å; N59-L62 VanDerWaalsContact O-N 3.11Å; N59-M85 WeakPolarHBondContact ND2-CE 3.47Å |
| 60 | R | 73.4 | Confident | 65.2 | Low | 220 Ų | 220 | 110.8 Ų | 110.8 | 83% | 0.83 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -19.3 | 179.5 | -68 | -173.8 | -179.2 | -173.9 | -0.1 | 114.1 | L62 | R60-L62 VanDerWaalsContact C-N 3.3Š|
| 61 | N | 74.9 | Confident | 65.5 | Low | 82 Ų | 82 | 107.1 Ų | 107.1 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | -10.1 | -179.3 | -54.3 | -11.2 | 0 | 0 | 0 | 111.6 | N59 M85 E86 | N59-N61 PolarHBondContact O-N 3.07Å; N59-N61 VanDerWaalsContact O-N 3.16Å; N59-N61 WeakPolarHBondContact OD1-CB 3.47Å; N59-N61 PolarHBondContact OD1-N 3.5Å; N59-N61 VanDerWaalsContact OD1-N 3.09Å; N61-M85 HydrophobicContact CB-CE 4.22Å; N61-M85 HydrophobicContact CB-CG 3.61Å; N61-M85 HydrophobicContact CB-SD 4.12Å; N61-M85 CarbonylContact O-C 3.46Å; N61-M85 VanDerWaalsContact O-CA 3.26Å; N61-M85 WeakPolarHBondContact O-CA 3.47Å; N61-E86 PolarHBondContact O-N 2.88Å |
| 62 | L | 74.5 | Confident | 65.6 | Low | 39 Ų | 39 | 112.3 Ų | 112.3 | 20% | 0.204 | 56% | 0.559 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.3 | 178 | -76.5 | 165.2 | 0 | 0 | 0 | 109.8 | S57 N59 R60 W83 | S57-L62 WeakPolarHBondContact OG-CD1 3.13Å; N59-L62 HydrophobicContact CB-CB 4.48Å; N59-L62 HydrophobicContact CB-CD1 3.67Å; N59-L62 HydrophobicContact CB-CG 4.14Å; N59-L62 PolarHBondContact O-N 3.16Å; N59-L62 VanDerWaalsContact O-N 3.11Å; R60-L62 VanDerWaalsContact C-N 3.3Å; L62-W83 HydrophobicContact CB-CH2 4.31Å; L62-W83 HydrophobicContact CB-CZ2 3.69Å; L62-W83 HydrophobicContact CD1-CH2 3.17Å; L62-W83 HydrophobicContact CD1-CZ2 3.37Å; L62-W83 HydrophobicContact CD1-CZ3 3.95Å; L62-W83 HydrophobicContact CD2-CD2 4.24Å; L62-W83 HydrophobicContact CD2-CE3 4.03Å; L62-W83 HydrophobicContact CD2-CH2 3.83Å; L62-W83 HydrophobicContact CD2-CZ2 3.99Å; L62-W83 HydrophobicContact CD2-CZ3 3.82Å; L62-W83 HydrophobicContact CG-CH2 3.94Å; L62-W83 HydrophobicContact CG-CZ2 3.86Å; L62-W83 HydrophobicContact CG-CZ3 4.44Å |
| 63 | V | 74.9 | Confident | 65.5 | Low | 57 Ų | 57 | 115.7 Ų | 115.7 | 35% | 0.345 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.5 | -174.3 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | H65 S84 E86 | V63-H65 PolarHBondContact O-CD2 3.32Å; V63-H65 PolarHBondContact O-N 3.31Å; V63-S84 PolarHBondContact N-O 2.69Å; V63-S84 PolarHBondContact O-N 3.3Å; V63-E86 HydrophobicContact CG2-CB 4.43Å |
| 64 | W | 76 | Confident | 65.4 | Low | 159 Ų | 159 | 109.1 Ų | 109.1 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118.9 | 168 | -73.6 | 102.4 | 0 | 0 | 0 | 109.1 | W81 S82 W83 | W64-W81 HydrophobicContact CB-CE3 4.16Å; W64-W81 HydrophobicContact CE3-CB 4.08Å; W64-W81 HydrophobicContact CZ3-CB 4.42Å; W64-S82 CarbonylContact C-O 3.34Å; W64-S82 WeakPolarHBondContact CA-O 3.46Å; W64-W83 HydrophobicContact CD2-CB 4.36Å; W64-W83 AromaticContact CD2-CD1 3.93Å; W64-W83 AromaticContact CE2-CD1 3.73Å; W64-W83 HydrophobicContact CE3-CB 3.97Å; W64-W83 HydrophobicContact CH2-CB 4.1Å; W64-W83 HydrophobicContact CZ2-CB 4.46Å; W64-W83 HydrophobicContact CZ3-CB 3.84Å; W64-W83 AromaticContact NE1-CD1 3.95Å |
| 65 | H | 71.1 | Confident | 65.2 | Low | 55 Ų | 55 | 107.4 Ų | 107.4 | 26% | 0.255 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.8 | 175.6 | -61.7 | -76.5 | 0 | 0 | 0 | 109.4 | V63 G67 W81 S82 S84 | V63-H65 PolarHBondContact O-CD2 3.32Å; V63-H65 PolarHBondContact O-N 3.31Å; H65-G67 PolarHBondContact O-N 2.98Å; H65-W81 CarbonylContact O-C 3.56Å; H65-W81 WeakPolarHBondContact O-CA 3.33Å; H65-S82 PolarHBondContact N-O 3Å; H65-S82 PolarHBondContact O-N 3.23Å; H65-S82 PolarHBondContact O-OG 2.73Å; H65-S84 PolarHBondContact CD2-OG 3.18Å |
| 66 | E | 70.5 | Confident | 65.5 | Low | 110 Ų | 110 | 102.5 Ų | 102.5 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 121.7 | 165.7 | -169.7 | 175.2 | -175.4 | 0 | 0 | 107.8 | C68 Y79 W81 | E66-C68 PolarHBondContact O-N 3.48Å; E66-Y79 HydrophobicContact CG-CD1 4.38Å; E66-Y79 WeakPolarHBondContact OE1-CD1 3.48Å; E66-Y79 WeakPolarHBondContact OE1-CE1 3.48Å; E66-W81 HydrophobicContact CB-CZ3 4.37Å |
| 67 | G | 64.9 | Low | 65.4 | Low | 24 Ų | 24 | 97 Ų | 97 | 25% | 0.247 | 53% | 0.527 | C | S | . | . | trans | -63.5 | 130.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110 | H65 D69 T80 | H65-G67 PolarHBondContact O-N 2.98Å; G67-D69 PolarHBondContact O-N 3.3Å; G67-T80 WeakPolarHBondContact CA-O 3.37Å; G67-T80 PolarHBondContact N-O 3.11Å | ||
| 68 | C | 57.2 | Low | 65.4 | Low | 96 Ų | 96 | 100.8 Ų | 100.8 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | trans | -79.9 | 77 | 166.7 | -73.4 | 0 | 0 | 0 | 0 | 107.8 | E66 D70 | E66-C68 PolarHBondContact O-N 3.48Å; C68-D70 VanDerWaalsContact C-N 3.29Å; C68-D70 WeakPolarHBondContact CB-OD1 3.36Å; C68-D70 PolarHBondContact O-N 3.09Å | ||
| 69 | D | 57.5 | Low | 64.9 | Low | 100 Ų | 100 | 102.8 Ų | 102.8 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | trans | -77 | 95.2 | 158 | -116.3 | -23.5 | 0 | 0 | 0 | 106 | G67 D71 | G67-D69 PolarHBondContact O-N 3.3Å; D69-D71 PolarHBondContact O-N 2.73Å | ||
| 70 | D | 57.2 | Low | 64.7 | Low | 129 Ų | 129 | 103.6 Ų | 103.6 | 69% | 0.69 | 54% | 0.543 | S | S | * | . | trans | -66.5 | -10.9 | 177.9 | -62.2 | -3 | 0 | 0 | 0 | 111.6 | C68 Y72 | C68-D70 VanDerWaalsContact C-N 3.29Å; C68-D70 WeakPolarHBondContact CB-OD1 3.36Å; C68-D70 PolarHBondContact O-N 3.09Å; D70-Y72 PolarHBondContact O-N 3.42Å | ||
| 71 | D | 56.2 | Low | 64.6 | Low | 106 Ų | 106 | 100 Ų | 100 | 57% | 0.567 | 53% | 0.53 | S | S | * | . | trans | -80 | 104.1 | 171 | -84.1 | -17.7 | 0 | 0 | 0 | 109.6 | D69 T73 | D69-D71 PolarHBondContact O-N 2.73Å; D71-T73 HydrophobicContact CB-CG2 4.23Å; D71-T73 PolarHBondContact O-N 2.65Å | ||
| 72 | Y | 53.4 | Low | 64.4 | Low | 236 Ų | 236 | 97.6 Ų | 97.6 | 93% | 0.925 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 31.3 | 167.3 | -68.2 | -86.3 | 0 | 0 | 0 | 114.3 | D70 | D70-Y72 PolarHBondContact O-N 3.42Š|
| 73 | T | 53.6 | Low | 64.4 | Low | 109 Ų | 109 | 101.9 Ų | 101.9 | 67% | 0.669 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -3.5 | -167.9 | 69.7 | 0 | 0 | 0 | 0 | 114.9 | D71 A75 | D71-T73 HydrophobicContact CB-CG2 4.23Å; D71-T73 PolarHBondContact O-N 2.65Å; T73-A75 PolarHBondContact O-N 2.79Å |
| 74 | T | 55.9 | Low | 64.2 | Low | 64 Ų | 64 | 99.9 Ų | 99.9 | 39% | 0.393 | 52% | 0.521 | S | S | . | . | trans | -67.4 | 95.6 | 167.7 | 13.8 | 0 | 0 | 0 | 0 | 109.7 | D76 G77 D78 | T74-D76 PolarHBondContact O-N 3.26Å; T74-G77 PolarHBondContact O-N 3.34Å; T74-D78 HydrophobicContact CG2-CB 4.3Å | ||
| 75 | A | 58.3 | Low | 63.9 | Low | 113 Ų | 113 | 95.4 Ų | 95.4 | 93% | 0.934 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -9.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T73 | T73-A75 PolarHBondContact O-N 2.79Š|
| 76 | D | 68.3 | Low | 63.7 | Low | 92 Ų | 92 | 99.5 Ų | 99.5 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -12.9 | -179 | 41.7 | 26.9 | 0 | 0 | 0 | 114.1 | T74 D78 | T74-D76 PolarHBondContact O-N 3.26Å; D76-D78 VanDerWaalsContact C-N 3.34Å; D76-D78 WeakPolarHBondContact OD1-CB 3.2Å; D76-D78 VanDerWaalsContact OD1-CG 3.27Å; D76-D78 PolarHBondContact OD1-N 2.8Å; D76-D78 VanDerWaalsContact OD1-N 3.15Å |
| 77 | G | 60.3 | Low | 63.4 | Low | 49 Ų | 49 | 98 Ų | 98 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | trans | 74.9 | 26.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T74 | T74-G77 PolarHBondContact O-N 3.34Š| ||
| 78 | D | 67.2 | Low | 63.1 | Low | 99 Ų | 99 | 103 Ų | 103 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 128.3 | 175.9 | -71 | -3.5 | 0 | 0 | 0 | 110 | T74 D76 | T74-D78 HydrophobicContact CG2-CB 4.3Å; D76-D78 VanDerWaalsContact C-N 3.34Å; D76-D78 WeakPolarHBondContact OD1-CB 3.2Å; D76-D78 VanDerWaalsContact OD1-CG 3.27Å; D76-D78 PolarHBondContact OD1-N 2.8Å; D76-D78 VanDerWaalsContact OD1-N 3.15Å |
| 79 | Y | 65.9 | Low | 63 | Low | 165 Ų | 165 | 102.4 Ų | 102.4 | 65% | 0.647 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 118.1 | 174 | -61.2 | -78.5 | 0 | 0 | 0 | 108.5 | E66 W81 | E66-Y79 HydrophobicContact CG-CD1 4.38Å; E66-Y79 WeakPolarHBondContact OE1-CD1 3.48Å; E66-Y79 WeakPolarHBondContact OE1-CE1 3.48Å; Y79-W81 VanDerWaalsContact O-CD1 3.3Å |
| 80 | T | 67.2 | Low | 62.9 | Low | 71 Ų | 71 | 100.1 Ų | 100.1 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 134.4 | 168.8 | -55 | 0 | 0 | 0 | 0 | 108.2 | G67 | G67-T80 WeakPolarHBondContact CA-O 3.37Å; G67-T80 PolarHBondContact N-O 3.11Å |
| 81 | W | 71.8 | Confident | 62.7 | Low | 146 Ų | 146 | 99.2 Ų | 99.2 | 55% | 0.553 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.4 | 173 | -68.3 | 78.4 | 0 | 0 | 0 | 109 | W64 H65 E66 Y79 | W64-W81 HydrophobicContact CB-CE3 4.16Å; W64-W81 HydrophobicContact CE3-CB 4.08Å; W64-W81 HydrophobicContact CZ3-CB 4.42Å; H65-W81 CarbonylContact O-C 3.56Å; H65-W81 WeakPolarHBondContact O-CA 3.33Å; E66-W81 HydrophobicContact CB-CZ3 4.37Å; Y79-W81 VanDerWaalsContact O-CD1 3.3Å |
| 82 | S | 69.8 | Low | 62.5 | Low | 30 Ų | 30 | 98.7 Ų | 98.7 | 21% | 0.21 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146.2 | 177.9 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | W64 H65 | W64-S82 CarbonylContact C-O 3.34Å; W64-S82 WeakPolarHBondContact CA-O 3.46Å; H65-S82 PolarHBondContact N-O 3Å; H65-S82 PolarHBondContact O-N 3.23Å; H65-S82 PolarHBondContact O-OG 2.73Å |
| 83 | W | 74.3 | Confident | 62.4 | Low | 129 Ų | 129 | 90.1 Ų | 90.1 | 49% | 0.489 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 107.1 | 177.3 | -172.9 | 81.7 | 0 | 0 | 0 | 108.2 | L62 W64 | L62-W83 HydrophobicContact CB-CH2 4.31Å; L62-W83 HydrophobicContact CB-CZ2 3.69Å; L62-W83 HydrophobicContact CD1-CH2 3.17Å; L62-W83 HydrophobicContact CD1-CZ2 3.37Å; L62-W83 HydrophobicContact CD1-CZ3 3.95Å; L62-W83 HydrophobicContact CD2-CD2 4.24Å; L62-W83 HydrophobicContact CD2-CE3 4.03Å; L62-W83 HydrophobicContact CD2-CH2 3.83Å; L62-W83 HydrophobicContact CD2-CZ2 3.99Å; L62-W83 HydrophobicContact CD2-CZ3 3.82Å; L62-W83 HydrophobicContact CG-CH2 3.94Å; L62-W83 HydrophobicContact CG-CZ2 3.86Å; L62-W83 HydrophobicContact CG-CZ3 4.44Å; W64-W83 HydrophobicContact CD2-CB 4.36Å; W64-W83 AromaticContact CD2-CD1 3.93Å; W64-W83 AromaticContact CE2-CD1 3.73Å; W64-W83 HydrophobicContact CE3-CB 3.97Å; W64-W83 HydrophobicContact CH2-CB 4.1Å; W64-W83 HydrophobicContact CZ2-CB 4.46Å; W64-W83 HydrophobicContact CZ3-CB 3.84Å; W64-W83 AromaticContact NE1-CD1 3.95Å |
| 84 | S | 70.8 | Confident | 62.6 | Low | 15 Ų | 15 | 91.2 Ų | 91.2 | 11% | 0.105 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 174.4 | -176.7 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | V63 H65 E88 | V63-S84 PolarHBondContact N-O 2.69Å; V63-S84 PolarHBondContact O-N 3.3Å; H65-S84 PolarHBondContact CD2-OG 3.18Å; S84-E88 PolarHBondContact OG-O 3.05Å |
| 85 | M | 70.7 | Confident | 62.8 | Low | 66 Ų | 66 | 91.8 Ų | 91.8 | 33% | 0.325 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 137.8 | 177.3 | -165.7 | 170.6 | -79.8 | 0 | 0 | 110.2 | N59 N61 G87 E88 | N59-M85 WeakPolarHBondContact ND2-CE 3.47Å; N61-M85 HydrophobicContact CB-CE 4.22Å; N61-M85 HydrophobicContact CB-CG 3.61Å; N61-M85 HydrophobicContact CB-SD 4.12Å; N61-M85 CarbonylContact O-C 3.46Å; N61-M85 VanDerWaalsContact O-CA 3.26Å; N61-M85 WeakPolarHBondContact O-CA 3.47Å; M85-G87 PolarHBondContact O-N 3.22Å; M85-G87 VanDerWaalsContact O-N 3.14Å; M85-E88 PolarHBondContact O-N 3.15Å |
| 86 | E | 66.8 | Low | 63 | Low | 141 Ų | 141 | 91.4 Ų | 91.4 | 66% | 0.659 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 118 | 179.4 | -172.6 | 174.8 | -153.2 | 0 | 0 | 110.6 | N61 V63 | N61-E86 PolarHBondContact O-N 2.88Å; V63-E86 HydrophobicContact CG2-CB 4.43Å |
| 87 | G | 64.5 | Low | 62.9 | Low | 79 Ų | 79 | 90.1 Ų | 90.1 | 81% | 0.814 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.4 | -13.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | M85 | M85-G87 PolarHBondContact O-N 3.22Å; M85-G87 VanDerWaalsContact O-N 3.14Å |
| 88 | E | 58.2 | Low | 63 | Low | 129 Ų | 129 | 93.5 Ų | 93.5 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | trans | -99.2 | 91.2 | 167.6 | -67.9 | 177.7 | 173.9 | 0 | 0 | 107.8 | S84 M85 P90 | S84-E88 PolarHBondContact OG-O 3.05Å; M85-E88 PolarHBondContact O-N 3.15Å; E88-P90 VanDerWaalsContact O-CD 3.25Å; E88-P90 WeakPolarHBondContact O-CD 3.27Å | ||
| 89 | C | 55.6 | Low | 63 | Low | 82 Ų | 82 | 93.8 Ų | 93.8 | 55% | 0.554 | 51% | 0.512 | S | S | * | . | trans | -61.8 | 117.8 | 156.3 | -174.8 | 0 | 0 | 0 | 0 | 105 | T91 | C89-T91 PolarHBondContact O-N 3.24Š| ||
| 90 | P | 55.1 | Low | 63.1 | Low | 53 Ų | 53 | 92.6 Ų | 92.6 | 34% | 0.344 | 52% | 0.515 | S | S | . | . | trans | -69 | 90 | 176.8 | 28.1 | -29.6 | 0 | 0 | 0 | 106.4 | E88 N92 | E88-P90 VanDerWaalsContact O-CD 3.25Å; E88-P90 WeakPolarHBondContact O-CD 3.27Å; P90-N92 HydrophobicContact CB-CB 4.47Å; P90-N92 PolarHBondContact O-N 3.2Å | ||
| 91 | T | 53.6 | Low | 63.4 | Low | 109 Ų | 109 | 94.1 Ų | 94.1 | 67% | 0.669 | 52% | 0.52 | S | S | * | . | trans | -71.8 | 19.4 | 163.9 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | C89 S93 | C89-T91 PolarHBondContact O-N 3.24Å; T91-S93 PolarHBondContact O-N 3.4Å | ||
| 92 | N | 51.9 | Low | 63.4 | Low | 95 Ų | 95 | 91.3 Ų | 91.3 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | trans | -65.3 | 79.1 | 172.9 | -61.1 | -0.5 | 0 | 0 | 0 | 105.9 | P90 L94 E96 | P90-N92 HydrophobicContact CB-CB 4.47Å; P90-N92 PolarHBondContact O-N 3.2Å; N92-L94 PolarHBondContact O-N 3.07Å; N92-E96 PolarHBondContact OD1-OE2 3.04Å | ||
| 93 | S | 51.7 | Low | 63.6 | Low | 56 Ų | 56 | 92.4 Ų | 92.4 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | trans | -49.7 | 136.3 | 165.8 | 71.8 | 0 | 0 | 0 | 0 | 105.4 | T91 S95 E96 | T91-S93 PolarHBondContact O-N 3.4Å; S93-S95 VanDerWaalsContact CB-OG 3.32Å; S93-S95 WeakPolarHBondContact CB-OG 3.3Å; S93-S95 CarbonylContact O-C 3.57Å; S93-S95 PolarHBondContact O-N 3.05Å; S93-S95 WeakPolarHBondContact OG-CB 3.39Å; S93-S95 PolarHBondContact OG-OG 2.83Å; S93-E96 PolarHBondContact O-N 3.08Å | ||
| 94 | L | 57 | Low | 63.5 | Low | 133 Ų | 133 | 91 Ų | 91 | 70% | 0.696 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -45.4 | -26.6 | 176.4 | -76.2 | 165.4 | 0 | 0 | 0 | 112.1 | N92 E96 L97 N98 | N92-L94 PolarHBondContact O-N 3.07Å; L94-E96 VanDerWaalsContact C-N 3.29Å; L94-E96 PolarHBondContact O-N 2.9Å; L94-L97 HydrophobicContact CD2-CD1 4.42Å; L94-L97 CarbonylContact O-C 3.59Å; L94-L97 WeakPolarHBondContact O-CA 3.46Å; L94-L97 WeakPolarHBondContact O-CB 3.28Å; L94-L97 PolarHBondContact O-N 2.95Å; L94-N98 PolarHBondContact O-N 3.21Å; L94-N98 PolarHBondContact O-OD1 3.19Å |
| 95 | S | 60 | Low | 63.8 | Low | 76 Ų | 76 | 97 Ų | 97 | 53% | 0.531 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -46.8 | -39.8 | 168.4 | -16.4 | 0 | 0 | 0 | 0 | 115.7 | S93 N98 | S93-S95 VanDerWaalsContact CB-OG 3.32Å; S93-S95 WeakPolarHBondContact CB-OG 3.3Å; S93-S95 CarbonylContact O-C 3.57Å; S93-S95 PolarHBondContact O-N 3.05Å; S93-S95 WeakPolarHBondContact OG-CB 3.39Å; S93-S95 PolarHBondContact OG-OG 2.83Å; S95-N98 WeakPolarHBondContact O-CB 3.22Å; S95-N98 PolarHBondContact O-N 2.77Å |
| 96 | E | 62.9 | Low | 64.2 | Low | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.2 | -36.1 | 178.1 | -66 | -174.4 | 176 | 0 | 0 | 111.2 | N92 S93 L94 N98 S99 | N92-E96 PolarHBondContact OD1-OE2 3.04Å; S93-E96 PolarHBondContact O-N 3.08Å; L94-E96 VanDerWaalsContact C-N 3.29Å; L94-E96 PolarHBondContact O-N 2.9Å; E96-N98 VanDerWaalsContact C-N 3.34Å; E96-S99 PolarHBondContact O-N 2.95Å; E96-S99 PolarHBondContact O-OG 3.17Å |
| 97 | L | 64.8 | Low | 64.8 | Low | 64 Ų | 64 | 96.5 Ų | 96.5 | 34% | 0.335 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -73.8 | -22.9 | 175.4 | -66.5 | 176.8 | 0 | 0 | 0 | 113 | L94 S99 L100 I101 | L94-L97 HydrophobicContact CD2-CD1 4.42Å; L94-L97 CarbonylContact O-C 3.59Å; L94-L97 WeakPolarHBondContact O-CA 3.46Å; L94-L97 WeakPolarHBondContact O-CB 3.28Å; L94-L97 PolarHBondContact O-N 2.95Å; L97-S99 PolarHBondContact O-N 3.17Å; L97-L100 HydrophobicContact CD2-CD1 4.35Å; L97-L100 CarbonylContact O-C 3.6Å; L97-L100 WeakPolarHBondContact O-CA 3.49Å; L97-L100 PolarHBondContact O-N 3.07Å; L97-I101 HydrophobicContact CB-CD1 3.9Å; L97-I101 HydrophobicContact CB-CG1 4.27Å; L97-I101 HydrophobicContact CD1-CD1 4.17Å; L97-I101 HydrophobicContact CD2-CD1 4.39Å; L97-I101 HydrophobicContact CG-CD1 4.4Å; L97-I101 PolarHBondContact O-N 3.26Å |
| 98 | N | 62.6 | Low | 65.4 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 64% | 0.642 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -19.4 | 175.6 | -69.7 | -17.1 | 0 | 0 | 0 | 112.9 | L94 S95 E96 | L94-N98 PolarHBondContact O-N 3.21Å; L94-N98 PolarHBondContact O-OD1 3.19Å; S95-N98 WeakPolarHBondContact O-CB 3.22Å; S95-N98 PolarHBondContact O-N 2.77Å; E96-N98 VanDerWaalsContact C-N 3.34Å |
| 99 | S | 68 | Low | 66.4 | Low | 106 Ų | 106 | 96.2 Ų | 96.2 | 74% | 0.741 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -20.3 | 173.7 | 68.8 | 0 | 0 | 0 | 0 | 113.8 | E96 L97 | E96-S99 PolarHBondContact O-N 2.95Å; E96-S99 PolarHBondContact O-OG 3.17Å; L97-S99 PolarHBondContact O-N 3.17Å |
| 100 | L | 67.8 | Low | 67.5 | Low | 139 Ų | 139 | 98.1 Ų | 98.1 | 73% | 0.728 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -28.8 | -175.3 | -75.8 | 155.2 | 0 | 0 | 0 | 112.5 | L97 | L97-L100 HydrophobicContact CD2-CD1 4.35Å; L97-L100 CarbonylContact O-C 3.6Å; L97-L100 WeakPolarHBondContact O-CA 3.49Å; L97-L100 PolarHBondContact O-N 3.07Å |
| 101 | I | 72.5 | Confident | 68.8 | Low | 103 Ų | 103 | 98.3 Ų | 98.3 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -111.9 | 117.7 | -174.6 | -54.4 | -177.7 | 0 | 0 | 0 | 107.9 | L97 S103 | L97-I101 HydrophobicContact CB-CD1 3.9Å; L97-I101 HydrophobicContact CB-CG1 4.27Å; L97-I101 HydrophobicContact CD1-CD1 4.17Å; L97-I101 HydrophobicContact CD2-CD1 4.39Å; L97-I101 HydrophobicContact CG-CD1 4.4Å; L97-I101 PolarHBondContact O-N 3.26Å; I101-S103 PolarHBondContact O-N 3.04Å |
| 102 | I | 73.7 | Confident | 70.3 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | trans | -68.3 | 130.4 | 170.7 | -55.3 | 173.9 | 0 | 0 | 0 | 107.3 | E106 E108 A109 | I102-E106 HydrophobicContact CG2-CB 3.83Å; I102-E106 HydrophobicContact CG2-CG 4.43Å; I102-E108 HydrophobicContact CD1-CB 4.22Å; I102-E108 HydrophobicContact CG2-CB 4.14Å; I102-A109 HydrophobicContact CB-CB 4.43Å; I102-A109 HydrophobicContact CG2-CB 3.81Å | ||
| 103 | S | 72.2 | Confident | 71.9 | Confident | 54 Ų | 54 | 99.1 Ų | 99.1 | 38% | 0.378 | 58% | 0.579 | S | S | . | * | trans | -58.7 | 136.7 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 109.7 | I101 D105 E106 A109 | I101-S103 PolarHBondContact O-N 3.04Å; S103-D105 PolarHBondContact O-N 3.1Å; S103-E106 WeakPolarHBondContact O-CB 3.32Å; S103-E106 PolarHBondContact O-N 3.02Å; S103-A109 WeakPolarHBondContact O-CB 3.43Å | ||
| 104 | P | 73.3 | Confident | 73.5 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -18.9 | -174.7 | 25.5 | -35.6 | 0 | 0 | 0 | 113.7 | ||
| 105 | D | 76.6 | Confident | 75 | Confident | 141 Ų | 141 | 104.3 Ų | 104.3 | 75% | 0.754 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -10.2 | 178.9 | -62.2 | -42.9 | 0 | 0 | 0 | 113.5 | S103 | S103-D105 PolarHBondContact O-N 3.1Š|
| 106 | E | 79 | Confident | 76.4 | Confident | 100 Ų | 100 | 106.7 Ų | 106.7 | 47% | 0.467 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -74.3 | 143.6 | -179.8 | -68.2 | -69.6 | 159.2 | 0 | 0 | 110.8 | I102 S103 E108 A109 L110 | I102-E106 HydrophobicContact CG2-CB 3.83Å; I102-E106 HydrophobicContact CG2-CG 4.43Å; S103-E106 WeakPolarHBondContact O-CB 3.32Å; S103-E106 PolarHBondContact O-N 3.02Å; E106-E108 PolarHBondContact O-N 3.45Å; E106-A109 WeakPolarHBondContact O-CB 3.48Å; E106-A109 PolarHBondContact O-N 3.2Å; E106-L110 PolarHBondContact O-N 3.06Å |
| 107 | P | 78.9 | Confident | 77.6 | Confident | 95 Ų | 95 | 106.5 Ų | 106.5 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -22.4 | -177.6 | 26.8 | -35 | 0 | 0 | 0 | 113 | A109 L110 | P107-A109 VanDerWaalsContact C-N 3.34Å; P107-L110 PolarHBondContact O-N 3.31Å |
| 108 | E | 78.3 | Confident | 78.8 | Confident | 158 Ų | 158 | 107 Ų | 107 | 74% | 0.738 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -26.4 | 175.6 | -62.5 | 176.3 | -179.1 | 0 | 0 | 112.7 | I102 E106 | I102-E108 HydrophobicContact CD1-CB 4.22Å; I102-E108 HydrophobicContact CG2-CB 4.14Å; E106-E108 PolarHBondContact O-N 3.45Å |
| 109 | A | 78.7 | Confident | 80 | Confident | 44 Ų | 44 | 106.2 Ų | 106.2 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.7 | -18.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I102 S103 E106 P107 G111 | I102-A109 HydrophobicContact CB-CB 4.43Å; I102-A109 HydrophobicContact CG2-CB 3.81Å; S103-A109 WeakPolarHBondContact O-CB 3.43Å; E106-A109 WeakPolarHBondContact O-CB 3.48Å; E106-A109 PolarHBondContact O-N 3.2Å; P107-A109 VanDerWaalsContact C-N 3.34Å; A109-G111 PolarHBondContact O-N 2.78Å; A109-G111 VanDerWaalsContact O-N 3.08Å |
| 110 | L | 79.2 | Confident | 81 | Confident | 122 Ų | 122 | 104.9 Ų | 104.9 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | trans | -84 | 79.5 | 179.5 | -61.2 | 179.5 | 0 | 0 | 0 | 110.9 | E106 P107 | E106-L110 PolarHBondContact O-N 3.06Å; P107-L110 PolarHBondContact O-N 3.31Å | ||
| 111 | G | 81.8 | Confident | 82 | Confident | 57 Ų | 57 | 102.2 Ų | 102.2 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -78 | 169.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A109 | A109-G111 PolarHBondContact O-N 2.78Å; A109-G111 VanDerWaalsContact O-N 3.08Å |
| 112 | P | 84.7 | Confident | 82.8 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 153.9 | 164.3 | 29.1 | -34.4 | 0 | 0 | 0 | 110 | I114 | P112-I114 PolarHBondContact O-N 3.24Š|
| 113 | P | 85.4 | Confident | 83.3 | Confident | 108 Ų | 108 | 109 Ų | 109 | 70% | 0.701 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.4 | 177.1 | 25.1 | -33.6 | 0 | 0 | 0 | 110.7 | E115 | P113-E115 PolarHBondContact O-N 2.72Š|
| 114 | I | 87 | Confident | 84 | Confident | 115 Ų | 115 | 109 Ų | 109 | 59% | 0.59 | 60% | 0.595 | S | S | * | * | trans | -81.2 | 111.8 | 174 | -57 | 173.1 | 0 | 0 | 0 | 107.6 | P112 E116 E120 | P112-I114 PolarHBondContact O-N 3.24Å; I114-E116 WeakPolarHBondContact CG2-O 3.29Å; I114-E120 HydrophobicContact CG2-CG 4.29Å | ||
| 115 | E | 88.6 | Confident | 84.7 | Confident | 183 Ų | 183 | 107.1 Ų | 107.1 | 86% | 0.855 | 58% | 0.584 | S | S | * | * | trans | -93.3 | -24.6 | -179.1 | -63.7 | -172.3 | 171.6 | 0 | 0 | 113 | P113 | P113-E115 PolarHBondContact O-N 2.72Š| ||
| 116 | E | 88.1 | Confident | 85.4 | Confident | 126 Ų | 126 | 102.7 Ų | 102.7 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | trans | -124.2 | 122.1 | -176.7 | -64.7 | -177.9 | 175.6 | 0 | 0 | 110.3 | I114 | I114-E116 WeakPolarHBondContact CG2-O 3.29Š| ||
| 117 | L | 89.6 | Confident | 86 | Confident | 101 Ų | 101 | 104.4 Ų | 104.4 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -85.3 | -12.4 | 178.7 | -159 | 76.9 | 0 | 0 | 0 | 112.7 | N119 E120 V129 L133 | L117-N119 PolarHBondContact O-N 3.29Å; L117-E120 HydrophobicContact CD1-CB 4.36Å; L117-E120 HydrophobicContact CD1-CG 4.09Å; L117-E120 PolarHBondContact O-N 3.2Å; L117-V129 WeakPolarHBondContact O-CG1 3.5Å; L117-L133 HydrophobicContact CB-CD1 4.11Å; L117-L133 HydrophobicContact CB-CD2 4.45Å; L117-L133 HydrophobicContact CD2-CD1 4.4Å; L117-L133 HydrophobicContact CD2-CD2 3.9Å; L117-L133 HydrophobicContact CD2-CG 4.49Å |
| 118 | D | 88 | Confident | 86.6 | Confident | 75 Ų | 75 | 104.3 Ų | 104.3 | 40% | 0.401 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | -20.1 | -172.1 | -68.3 | -58.8 | 0 | 0 | 0 | 113.7 | I126 L133 | D118-I126 WeakPolarHBondContact O-CD1 3.34Å; D118-L133 WeakPolarHBondContact OD1-CD1 3.26Å |
| 119 | N | 87.9 | Confident | 87.1 | Confident | 104 Ų | 104 | 97.6 Ų | 97.6 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | 5.5 | -176.2 | -55.8 | -49.7 | 0 | 0 | 0 | 113.4 | L117 D121 | L117-N119 PolarHBondContact O-N 3.29Å; N119-D121 VanDerWaalsContact C-N 3.33Å; N119-D121 PolarHBondContact O-N 2.79Å |
| 120 | E | 89.1 | Confident | 87.7 | Confident | 77 Ų | 77 | 99.4 Ų | 99.4 | 36% | 0.36 | 53% | 0.532 | S | S | . | . | trans | -84.7 | 71.2 | -178 | -66.6 | -60 | 147.2 | 0 | 0 | 111.7 | I114 L117 | I114-E120 HydrophobicContact CG2-CG 4.29Å; L117-E120 HydrophobicContact CD1-CB 4.36Å; L117-E120 HydrophobicContact CD1-CG 4.09Å; L117-E120 PolarHBondContact O-N 3.2Å | ||
| 121 | D | 90.3 | Very high | 88.3 | Confident | 83 Ų | 83 | 99.8 Ų | 99.8 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | trans | -106.9 | 6.2 | -172.5 | 72.9 | -18.2 | 0 | 0 | 0 | 114.9 | N119 F123 C124 I126 | N119-D121 VanDerWaalsContact C-N 3.33Å; N119-D121 PolarHBondContact O-N 2.79Å; D121-F123 PolarHBondContact O-N 3.12Å; D121-C124 CarbonylContact C-O 3.54Å; D121-C124 WeakPolarHBondContact CA-O 3.49Å; D121-C124 WeakPolarHBondContact CB-O 3.19Å; D121-C124 PolarHBondContact O-N 3.15Å; D121-I126 HydrophobicContact CB-CB 4.01Å; D121-I126 HydrophobicContact CB-CD1 4.07Å | ||
| 122 | I | 88.2 | Confident | 88.7 | Confident | 129 Ų | 129 | 100.7 Ų | 100.7 | 66% | 0.662 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -59.1 | -38.2 | -178 | -61 | 176.8 | 0 | 0 | 0 | 111.6 | ||
| 123 | F | 85.6 | Confident | 89 | Confident | 205 Ų | 205 | 97 Ų | 97 | 90% | 0.899 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -118 | 2.1 | -176.7 | -57 | -73.2 | 0 | 0 | 0 | 113.7 | D121 | D121-F123 PolarHBondContact O-N 3.12Š|
| 124 | C | 85 | Confident | 89.3 | Confident | 54 Ų | 54 | 97.1 Ų | 97.1 | 37% | 0.365 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -144.1 | 141.5 | -177.7 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | D121 I126 V129 | D121-C124 CarbonylContact C-O 3.54Å; D121-C124 WeakPolarHBondContact CA-O 3.49Å; D121-C124 WeakPolarHBondContact CB-O 3.19Å; D121-C124 PolarHBondContact O-N 3.15Å; C124-I126 PolarHBondContact O-N 2.95Å; C124-V129 HydrophobicContact CB-CG2 3.78Å |
| 125 | S | 89.3 | Confident | 89.4 | Confident | 59 Ų | 59 | 100.8 Ų | 100.8 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | trans | -57.6 | 129 | 174 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | H127 L128 V129 | S125-H127 PolarHBondContact O-N 3.14Å; S125-H127 PolarHBondContact OG-N 3.09Å; S125-L128 WeakPolarHBondContact O-CB 3.49Å; S125-L128 PolarHBondContact O-N 2.78Å; S125-V129 PolarHBondContact O-N 3.11Å | ||
| 126 | I | 91.7 | Very high | 89.5 | Confident | 48 Ų | 48 | 99.6 Ų | 99.6 | 25% | 0.246 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -49.7 | -36.3 | 175.9 | -171.2 | 64.4 | 0 | 0 | 0 | 112.4 | D118 D121 C124 V129 Q130 | D118-I126 WeakPolarHBondContact O-CD1 3.34Å; D121-I126 HydrophobicContact CB-CB 4.01Å; D121-I126 HydrophobicContact CB-CD1 4.07Å; C124-I126 PolarHBondContact O-N 2.95Å; I126-V129 PolarHBondContact O-N 3.18Å; I126-Q130 WeakPolarHBondContact O-CB 3.41Å; I126-Q130 VanDerWaalsContact O-CG 3.31Å; I126-Q130 WeakPolarHBondContact O-CG 3.47Å; I126-Q130 PolarHBondContact O-N 2.92Å |
| 127 | H | 90 | Very high | 89.2 | Confident | 137 Ų | 137 | 99.7 Ų | 99.7 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 177.6 | -66.3 | -56.9 | 0 | 0 | 0 | 112.6 | S125 E131 | S125-H127 PolarHBondContact O-N 3.14Å; S125-H127 PolarHBondContact OG-N 3.09Å; H127-E131 VanDerWaalsContact O-CB 3.28Å; H127-E131 WeakPolarHBondContact O-CB 3.08Å; H127-E131 PolarHBondContact O-N 3.16Å |
| 128 | L | 91.8 | Very high | 87.5 | Confident | 93 Ų | 93 | 108.2 Ų | 108.2 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.7 | -39.5 | 178.2 | -70 | 174.6 | 0 | 0 | 0 | 111.3 | S125 E131 V132 | S125-L128 WeakPolarHBondContact O-CB 3.49Å; S125-L128 PolarHBondContact O-N 2.78Å; L128-E131 PolarHBondContact O-N 3.21Å; L128-V132 WeakPolarHBondContact O-CB 3.47Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.48Å |
| 129 | V | 89.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 109.9 Ų | 109.9 | 10% | 0.103 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -57.3 | -52.8 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | L117 C124 S125 I126 E131 V132 L133 | L117-V129 WeakPolarHBondContact O-CG1 3.5Å; C124-V129 HydrophobicContact CB-CG2 3.78Å; S125-V129 PolarHBondContact O-N 3.11Å; I126-V129 PolarHBondContact O-N 3.18Å; V129-E131 PolarHBondContact O-N 3.42Å; V129-V132 PolarHBondContact O-N 2.9Å; V129-L133 HydrophobicContact CG1-CD1 3.77Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 VanDerWaalsContact O-CG 3.27Å; V129-L133 WeakPolarHBondContact O-CG 3.25Å; V129-L133 PolarHBondContact O-N 3.17Å |
| 130 | Q | 91 | Very high | 87.4 | Confident | 81 Ų | 81 | 110.2 Ų | 110.2 | 38% | 0.379 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 178.8 | -71 | 175.9 | -9.2 | 0 | 0 | 112.6 | I126 L133 N134 | I126-Q130 WeakPolarHBondContact O-CB 3.41Å; I126-Q130 VanDerWaalsContact O-CG 3.31Å; I126-Q130 WeakPolarHBondContact O-CG 3.47Å; I126-Q130 PolarHBondContact O-N 2.92Å; Q130-L133 PolarHBondContact O-N 2.86Å; Q130-N134 VanDerWaalsContact O-CB 3.22Å; Q130-N134 WeakPolarHBondContact O-CB 3.42Å; Q130-N134 PolarHBondContact O-N 2.73Å; Q130-N134 PolarHBondContact O-ND2 3.06Å |
| 131 | E | 91.2 | Very high | 87.3 | Confident | 131 Ų | 131 | 112 Ų | 112 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.6 | -47.6 | 177.9 | -175.8 | 175.6 | 178.4 | 0 | 0 | 111.6 | H127 L128 V129 N134 Y135 | H127-E131 VanDerWaalsContact O-CB 3.28Å; H127-E131 WeakPolarHBondContact O-CB 3.08Å; H127-E131 PolarHBondContact O-N 3.16Å; L128-E131 PolarHBondContact O-N 3.21Å; V129-E131 PolarHBondContact O-N 3.42Å; E131-N134 PolarHBondContact O-N 2.91Å; E131-Y135 WeakPolarHBondContact O-CB 3.48Å; E131-Y135 PolarHBondContact O-N 3.44Å |
| 132 | V | 90.9 | Very high | 87.2 | Confident | 76 Ų | 76 | 113.7 Ų | 113.7 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 179 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L128 V129 Y135 K136 | L128-V132 WeakPolarHBondContact O-CB 3.47Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.48Å; V129-V132 PolarHBondContact O-N 2.9Å; V132-Y135 PolarHBondContact O-N 3.32Å; V132-K136 HydrophobicContact CG1-CD 4.42Å; V132-K136 WeakPolarHBondContact O-CG 2.89Å; V132-K136 PolarHBondContact O-N 2.79Å |
| 133 | L | 91.3 | Very high | 87.1 | Confident | 36 Ų | 36 | 112.8 Ų | 112.8 | 19% | 0.188 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 176.9 | -73 | 175.3 | 0 | 0 | 0 | 111.2 | L117 D118 V129 Q130 Y135 K136 V137 | L117-L133 HydrophobicContact CB-CD1 4.11Å; L117-L133 HydrophobicContact CB-CD2 4.45Å; L117-L133 HydrophobicContact CD2-CD1 4.4Å; L117-L133 HydrophobicContact CD2-CD2 3.9Å; L117-L133 HydrophobicContact CD2-CG 4.49Å; D118-L133 WeakPolarHBondContact OD1-CD1 3.26Å; V129-L133 HydrophobicContact CG1-CD1 3.77Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 VanDerWaalsContact O-CG 3.27Å; V129-L133 WeakPolarHBondContact O-CG 3.25Å; V129-L133 PolarHBondContact O-N 3.17Å; Q130-L133 PolarHBondContact O-N 2.86Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 2.89Å; L133-K136 PolarHBondContact O-N 2.7Å; L133-K136 VanDerWaalsContact O-N 3.16Å; L133-V137 WeakPolarHBondContact O-CG2 3.18Å; L133-V137 PolarHBondContact O-N 2.81Å; L133-V137 VanDerWaalsContact O-N 3.07Å |
| 134 | N | 89.9 | Confident | 87.2 | Confident | 110 Ų | 110 | 106.6 Ų | 106.6 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.5 | -34.9 | 175.3 | -77.2 | -44 | 0 | 0 | 0 | 112.7 | Q130 E131 | Q130-N134 VanDerWaalsContact O-CB 3.22Å; Q130-N134 WeakPolarHBondContact O-CB 3.42Å; Q130-N134 PolarHBondContact O-N 2.73Å; Q130-N134 PolarHBondContact O-ND2 3.06Å; E131-N134 PolarHBondContact O-N 2.91Å |
| 135 | Y | 91.1 | Very high | 87.3 | Confident | 191 Ų | 191 | 110.4 Ų | 110.4 | 75% | 0.749 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.6 | -40.3 | 175.6 | -172.5 | -94.2 | 0 | 0 | 0 | 112.2 | E131 V132 L133 | E131-Y135 WeakPolarHBondContact O-CB 3.48Å; E131-Y135 PolarHBondContact O-N 3.44Å; V132-Y135 PolarHBondContact O-N 3.32Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 2.89Å |
| 136 | K | 88.9 | Confident | 87.2 | Confident | 158 Ų | 158 | 114.3 Ų | 114.3 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.6 | -26.2 | -178.8 | -75.9 | -177.4 | 178 | 178.7 | 0 | 114.7 | V132 L133 R138 | V132-K136 HydrophobicContact CG1-CD 4.42Å; V132-K136 WeakPolarHBondContact O-CG 2.89Å; V132-K136 PolarHBondContact O-N 2.79Å; L133-K136 PolarHBondContact O-N 2.7Å; L133-K136 VanDerWaalsContact O-N 3.16Å; K136-R138 PolarHBondContact O-N 2.96Å |
| 137 | V | 82.5 | Confident | 86.8 | Confident | 128 Ų | 128 | 119.8 Ų | 119.8 | 78% | 0.776 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -15.7 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | L133 | L133-V137 WeakPolarHBondContact O-CG2 3.18Å; L133-V137 PolarHBondContact O-N 2.81Å; L133-V137 VanDerWaalsContact O-N 3.07Å |
| 138 | R | 53.5 | Low | 86.5 | Confident | 280 Ų | 280 | 118.3 Ų | 118.3 | 100% | 1.057 | 55% | 0.553 | S | S | * | * | trans | -94.9 | 0 | 174.8 | -71.1 | -175.9 | 176.2 | -176.7 | 1.1 | 112.2 | K136 | K136-R138 PolarHBondContact O-N 2.96Š|
Retrieved 138 of 138 residues in 227.9 ms
(Link to these results)