| 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 | 46 | Very low | 55.9 | Low | 251 Ų | 251 | 158.5 Ų | 158.5 | 100% | 1.236 | 89% | 0.893 | S | S | * | * | 0 | 142.4 | 0 | -67.9 | -176.7 | -179.7 | 0 | 0 | 109 | |||||
| 2 | A | 53.9 | Low | 56.4 | Low | 108 Ų | 108 | 150.9 Ų | 150.9 | 89% | 0.893 | 88% | 0.877 | S | S | * | * | trans | -77.8 | 144.4 | -146.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3 | K | 48.4 | Very low | 57.4 | Low | 208 Ų | 208 | 148.1 Ų | 148.1 | 90% | 0.904 | 87% | 0.87 | S | S | * | * | trans | -70.2 | 113.6 | 177.1 | -137.7 | 173.3 | -174.3 | 172.5 | 0 | 110.1 | K5 | K3-K5 PolarHBondContact O-N 3.28Å; K3-K5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | G | 56.7 | Low | 58.6 | Low | 79 Ų | 79 | 151 Ų | 151 | 81% | 0.814 | 87% | 0.871 | S | S | * | * | trans | -72 | 95.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K6 | G4-K6 PolarHBondContact O-N 3.38Š| ||
| 5 | K | 55.8 | Low | 60 | Low | 203 Ų | 203 | 154.3 Ų | 154.3 | 88% | 0.883 | 87% | 0.871 | S | S | * | * | trans | -77.6 | 94.7 | 177.2 | -158.7 | 175.2 | -174.5 | 179.6 | 0 | 108.6 | K3 S7 | K3-K5 PolarHBondContact O-N 3.28Å; K3-K5 VanDerWaalsContact O-N 3.09Å; K5-S7 PolarHBondContact O-N 3.2Å | ||
| 6 | K | 55.1 | Low | 61.3 | Low | 205 Ų | 205 | 160 Ų | 160 | 89% | 0.891 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 119 | 172.1 | -90.6 | -177.7 | 178.1 | 177.1 | 0 | 109.2 | G4 | G4-K6 PolarHBondContact O-N 3.38Š|
| 7 | S | 55.3 | Low | 62.5 | Low | 116 Ų | 116 | 161.5 Ų | 161.5 | 81% | 0.811 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -49 | 136.9 | 175.2 | 45.1 | 0 | 0 | 0 | 0 | 112.1 | K5 | K5-S7 PolarHBondContact O-N 3.2Š|
| 8 | G | 56.4 | Low | 63.7 | Low | 75 Ų | 75 | 163.9 Ų | 163.9 | 77% | 0.773 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 138.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A10 | G8-A10 PolarHBondContact O-N 3.19Å; G8-A10 VanDerWaalsContact O-N 3.11Å |
| 9 | E | 60 | Low | 64.8 | Low | 193 Ų | 193 | 165.3 Ų | 165.3 | 90% | 0.902 | 87% | 0.873 | S | S | * | * | trans | -49 | 109.9 | 161.5 | -113.6 | 168.4 | 149.3 | 0 | 0 | 109.6 | K11 | E9-K11 PolarHBondContact O-N 3.47Š| ||
| 10 | A | 63 | Low | 65.9 | Low | 98 Ų | 98 | 162.7 Ų | 162.7 | 81% | 0.81 | 86% | 0.863 | S | S | * | * | trans | -62.9 | 102.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | G8 G12 | G8-A10 PolarHBondContact O-N 3.19Å; G8-A10 VanDerWaalsContact O-N 3.11Å; A10-G12 PolarHBondContact O-N 2.7Å | ||
| 11 | K | 64.2 | Low | 66.9 | Low | 207 Ų | 207 | 161.2 Ų | 161.2 | 90% | 0.9 | 86% | 0.855 | S | S | * | * | trans | -47.8 | 110 | 172.4 | -73.8 | -178.8 | 176.7 | 178 | 0 | 108.3 | E9 S13 | E9-K11 PolarHBondContact O-N 3.47Å; K11-S13 PolarHBondContact O-N 3.46Å | ||
| 12 | G | 61.9 | Low | 68.8 | Low | 68 Ų | 68 | 158.9 Ų | 158.9 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 132.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A10 Q14 | A10-G12 PolarHBondContact O-N 2.7Å; G12-Q14 PolarHBondContact O-N 2.86Å; G12-Q14 VanDerWaalsContact O-N 3.1Å |
| 13 | S | 69.6 | Low | 70.3 | Confident | 114 Ų | 114 | 159.7 Ų | 159.7 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 117.1 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 109.1 | K11 K15 | K11-S13 PolarHBondContact O-N 3.46Å; S13-K15 PolarHBondContact O-N 3.41Å |
| 14 | Q | 74.8 | Confident | 72.4 | Confident | 189 Ų | 189 | 154.7 Ų | 154.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 117.9 | 171.7 | -79.7 | -176.8 | -28.1 | 0 | 0 | 108 | G12 R16 | G12-Q14 PolarHBondContact O-N 2.86Å; G12-Q14 VanDerWaalsContact O-N 3.1Å; Q14-R16 PolarHBondContact O-N 2.98Å; Q14-R16 VanDerWaalsContact O-N 3.08Å |
| 15 | K | 78.9 | Confident | 74.1 | Confident | 200 Ų | 200 | 153.3 Ų | 153.3 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 119.8 | 175.3 | -73.1 | -178.6 | -179.8 | 174.9 | 0 | 107.9 | S13 Q17 | S13-K15 PolarHBondContact O-N 3.41Å; K15-Q17 PolarHBondContact O-N 3.42Å; K15-Q17 VanDerWaalsContact O-N 3.08Å |
| 16 | R | 81.5 | Confident | 75.8 | Confident | 246 Ų | 246 | 152 Ų | 152 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 117.3 | 175.2 | -75.3 | -178.1 | 177.2 | 176.1 | -0.4 | 108.7 | Q14 | Q14-R16 PolarHBondContact O-N 2.98Å; Q14-R16 VanDerWaalsContact O-N 3.08Å |
| 17 | Q | 81.7 | Confident | 77.7 | Confident | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139.6 | 172.8 | -65.1 | -178 | 2.4 | 0 | 0 | 109.3 | K15 | K15-Q17 PolarHBondContact O-N 3.42Å; K15-Q17 VanDerWaalsContact O-N 3.08Å |
| 18 | K | 83.9 | Confident | 79.6 | Confident | 204 Ų | 204 | 142 Ų | 142 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 134.4 | 176.7 | -66.4 | -177.7 | 179.5 | -179.8 | 0 | 109 | ||
| 19 | K | 84.8 | Confident | 81.5 | Confident | 190 Ų | 190 | 141.8 Ų | 141.8 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 138.5 | 173.5 | -67.9 | -174.7 | 178 | -176.6 | 0 | 109.8 | L21 | K19-L21 PolarHBondContact O-N 3.01Š|
| 20 | V | 86 | Confident | 83.3 | Confident | 113 Ų | 113 | 139.8 Ų | 139.8 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 118.6 | 169.8 | -174.5 | 0 | 0 | 0 | 0 | 108 | R22 | V20-R22 HydrophobicContact CG1-CG 4.03Š|
| 21 | L | 87.2 | Confident | 84.9 | Confident | 133 Ų | 133 | 135.8 Ų | 135.8 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -82 | 122 | 177.8 | -63.8 | 178.3 | 0 | 0 | 0 | 109.4 | K19 | K19-L21 PolarHBondContact O-N 3.01Š|
| 22 | R | 85.7 | Confident | 86.5 | Confident | 201 Ų | 201 | 127.4 Ų | 127.4 | 76% | 0.758 | 63% | 0.63 | S | S | * | * | trans | -138.3 | 142 | 176.7 | -63 | -173.8 | 177.6 | -178.5 | -0.9 | 110.1 | V20 N24 | V20-R22 HydrophobicContact CG1-CG 4.03Å; R22-N24 PolarHBondContact O-N 3.17Å; R22-N24 VanDerWaalsContact O-N 3.07Å | ||
| 23 | E | 85.7 | Confident | 88.2 | Confident | 126 Ų | 126 | 124.4 Ų | 124.4 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | trans | 55.1 | 24.3 | 171.9 | -54.8 | -164.9 | 152.6 | 0 | 0 | 117.5 | V25 R26 | E23-V25 PolarHBondContact O-N 3.07Å; E23-R26 WeakPolarHBondContact O-CB 3.17Å; E23-R26 PolarHBondContact O-N 3.05Å; E23-R26 IonicContact OE1-CZ 2.77Å; E23-R26 IonicContact OE1-NH1 2.77Å; E23-R26 IonicContact OE2-CZ 3.8Å; E23-R26 IonicContact OE2-NE 3.22Å; E23-R26 IonicContact OE2-NH1 2.78Å; E23-R26 PolarHBondContact OE2-NH1 3.23Å | ||
| 24 | N | 91.9 | Very high | 89.5 | Confident | 102 Ų | 102 | 124.2 Ų | 124.2 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -57.2 | -20.1 | -178.8 | -66.3 | -32.9 | 0 | 0 | 0 | 114.5 | R22 R26 G27 | R22-N24 PolarHBondContact O-N 3.17Å; R22-N24 VanDerWaalsContact O-N 3.07Å; N24-R26 PolarHBondContact O-N 3.49Å; N24-G27 WeakPolarHBondContact O-CA 3.16Å; N24-G27 PolarHBondContact O-N 3.42Å |
| 25 | V | 93 | Very high | 90.7 | Very high | 51 Ų | 51 | 122.4 Ų | 122.4 | 31% | 0.309 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -59.6 | -31.1 | 176.2 | -160.1 | 0 | 0 | 0 | 0 | 111.6 | E23 G27 I28 R54 K58 | E23-V25 PolarHBondContact O-N 3.07Å; V25-G27 PolarHBondContact O-N 3.49Å; V25-I28 WeakPolarHBondContact O-CB 3.4Å; V25-I28 PolarHBondContact O-N 2.95Å; V25-I28 VanDerWaalsContact O-N 3.12Å; V25-R54 HydrophobicContact CG1-CB 3.71Å; V25-R54 HydrophobicContact CG1-CG 4.1Å; V25-K58 HydrophobicContact CG1-CB 4.42Å; V25-K58 HydrophobicContact CG2-CD 4.13Å; V25-K58 HydrophobicContact CG2-CG 4.48Å |
| 26 | R | 91.6 | Very high | 91.5 | Very high | 174 Ų | 174 | 117.4 Ų | 117.4 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -67.2 | -19.7 | 174 | -69.3 | -179.4 | 171.3 | 173.6 | -6.4 | 112.8 | E23 N24 I28 | E23-R26 WeakPolarHBondContact O-CB 3.17Å; E23-R26 PolarHBondContact O-N 3.05Å; E23-R26 IonicContact OE1-CZ 2.77Å; E23-R26 IonicContact OE1-NH1 2.77Å; E23-R26 IonicContact OE2-CZ 3.8Å; E23-R26 IonicContact OE2-NE 3.22Å; E23-R26 IonicContact OE2-NH1 2.78Å; E23-R26 PolarHBondContact OE2-NH1 3.23Å; N24-R26 PolarHBondContact O-N 3.49Å; R26-I28 PolarHBondContact O-N 2.71Å |
| 27 | G | 94.4 | Very high | 92.3 | Very high | 56 Ų | 56 | 106.7 Ų | 106.7 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -63.1 | -18.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N24 V25 T29 | N24-G27 WeakPolarHBondContact O-CA 3.16Å; N24-G27 PolarHBondContact O-N 3.42Å; V25-G27 PolarHBondContact O-N 3.49Å; G27-T29 PolarHBondContact O-N 2.7Å |
| 28 | I | 95.6 | Very high | 93.1 | Very high | 55 Ų | 55 | 104 Ų | 104 | 28% | 0.282 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -76.8 | 93 | 167.7 | -52.6 | -62.1 | 0 | 0 | 0 | 108.5 | V25 R26 I33 R54 L57 | V25-I28 WeakPolarHBondContact O-CB 3.4Å; V25-I28 PolarHBondContact O-N 2.95Å; V25-I28 VanDerWaalsContact O-N 3.12Å; R26-I28 PolarHBondContact O-N 2.71Å; I28-I33 HydrophobicContact CG2-CD1 4.29Å; I28-I33 HydrophobicContact CG2-CG1 3.86Å; I28-R54 PolarHBondContact O-NE 3.47Å; I28-R54 VanDerWaalsContact O-NE 3.08Å; I28-R54 PolarHBondContact O-NH2 3.07Å; I28-L57 HydrophobicContact CD1-CD2 4.08Å; I28-L57 HydrophobicContact CG1-CD2 3.84Å; I28-L57 HydrophobicContact CG2-CD2 4.14Å |
| 29 | T | 97.1 | Very high | 93.7 | Very high | 71 Ų | 71 | 104.1 Ų | 104.1 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | trans | -67.5 | 156.1 | -174.5 | 71.7 | 0 | 0 | 0 | 0 | 112.3 | G27 G31 S32 I33 | G27-T29 PolarHBondContact O-N 2.7Å; T29-G31 PolarHBondContact O-N 3.08Å; T29-G31 VanDerWaalsContact O-N 3.15Å; T29-G31 PolarHBondContact OG1-N 3.26Å; T29-S32 WeakPolarHBondContact O-CB 3.4Å; T29-S32 PolarHBondContact O-N 2.97Å; T29-S32 PolarHBondContact OG1-N 3.33Å; T29-S32 PolarHBondContact OG1-OG 2.72Å; T29-I33 PolarHBondContact O-N 3.45Å; T29-I33 VanDerWaalsContact O-N 3.15Å | ||
| 30 | R | 96.8 | Very high | 94.3 | Very high | 152 Ų | 152 | 98.1 Ų | 98.1 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.2 | -31.3 | 171.5 | -66.9 | -175.7 | 173.8 | 174.3 | -1.8 | 111.9 | R34 Y50 | R30-R34 VanDerWaalsContact O-CB 3.28Å; R30-R34 WeakPolarHBondContact O-CB 3.32Å; R30-R34 PolarHBondContact O-N 3.24Å; R30-Y50 HydrophobicContact CB-CD1 4.06Å; R30-Y50 HydrophobicContact CB-CE1 3.98Å; R30-Y50 HydrophobicContact CB-CG 4.48Å; R30-Y50 HydrophobicContact CG-CD1 3.9Å; R30-Y50 HydrophobicContact CG-CD2 4.02Å; R30-Y50 HydrophobicContact CG-CE1 4.21Å; R30-Y50 HydrophobicContact CG-CE2 4.31Å; R30-Y50 HydrophobicContact CG-CG 3.84Å |
| 31 | G | 97.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 95.9 Ų | 95.9 | 13% | 0.134 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T29 R34 R35 | T29-G31 PolarHBondContact O-N 3.08Å; T29-G31 VanDerWaalsContact O-N 3.15Å; T29-G31 PolarHBondContact OG1-N 3.26Å; G31-R34 PolarHBondContact O-N 3.35Å; G31-R35 WeakPolarHBondContact O-CG 3.45Å; G31-R35 PolarHBondContact O-N 3.12Å |
| 32 | S | 97.5 | Very high | 95.4 | Very high | 32 Ų | 32 | 92.4 Ų | 92.4 | 22% | 0.224 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 176.3 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | T29 R34 R35 L36 | T29-S32 WeakPolarHBondContact O-CB 3.4Å; T29-S32 PolarHBondContact O-N 2.97Å; T29-S32 PolarHBondContact OG1-N 3.33Å; T29-S32 PolarHBondContact OG1-OG 2.72Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 2.94Å; S32-R35 PolarHBondContact O-N 2.9Å; S32-R35 PolarHBondContact OG-NH2 2.91Å; S32-L36 PolarHBondContact O-N 3.3Å |
| 33 | I | 97.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 91.1 Ų | 91.1 | 3% | 0.026 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 177.4 | -60 | 173.4 | 0 | 0 | 0 | 110.3 | I28 T29 R35 L36 A37 Y50 V53 R54 | I28-I33 HydrophobicContact CG2-CD1 4.29Å; I28-I33 HydrophobicContact CG2-CG1 3.86Å; T29-I33 PolarHBondContact O-N 3.45Å; T29-I33 VanDerWaalsContact O-N 3.15Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 3.15Å; I33-L36 PolarHBondContact O-N 3.31Å; I33-A37 WeakPolarHBondContact O-CB 3.38Å; I33-A37 PolarHBondContact O-N 2.86Å; I33-Y50 HydrophobicContact CB-CD1 4.1Å; I33-Y50 HydrophobicContact CB-CE1 4.48Å; I33-Y50 HydrophobicContact CD1-CD1 4.07Å; I33-Y50 WeakPolarHBondContact CD1-O 3.18Å; I33-Y50 HydrophobicContact CG2-CD1 3.94Å; I33-Y50 HydrophobicContact CG2-CE1 4.35Å; I33-V53 HydrophobicContact CD1-CB 4.32Å; I33-V53 HydrophobicContact CD1-CG1 4.28Å; I33-V53 HydrophobicContact CG1-CG1 4.14Å; I33-V53 HydrophobicContact CG2-CB 4.1Å; I33-V53 HydrophobicContact CG2-CG1 3.99Å; I33-V53 HydrophobicContact CG2-CG2 4.12Å; I33-R54 HydrophobicContact CD1-CG 4.27Å |
| 34 | R | 97.6 | Very high | 96.5 | Very high | 109 Ų | 109 | 95.4 Ų | 95.4 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 176.4 | -176.3 | 173.1 | 59.9 | -103.2 | 3.2 | 111.6 | R30 G31 S32 L36 A37 R38 I45 | R30-R34 VanDerWaalsContact O-CB 3.28Å; R30-R34 WeakPolarHBondContact O-CB 3.32Å; R30-R34 PolarHBondContact O-N 3.24Å; G31-R34 PolarHBondContact O-N 3.35Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 2.94Å; R34-L36 VanDerWaalsContact C-N 3.34Å; R34-L36 PolarHBondContact O-N 3.45Å; R34-A37 PolarHBondContact O-N 3.02Å; R34-R38 HydrophobicContact CG-CG 4.3Å; R34-R38 WeakPolarHBondContact O-CB 3.21Å; R34-R38 VanDerWaalsContact O-CG 3.26Å; R34-R38 WeakPolarHBondContact O-CG 3.32Å; R34-R38 PolarHBondContact O-N 2.96Å; R34-I45 HydrophobicContact CB-CD1 4.41Å; R34-I45 HydrophobicContact CG-CD1 4.17Å |
| 35 | R | 98 | Very high | 96.7 | Very high | 151 Ų | 151 | 92.4 Ų | 92.4 | 57% | 0.57 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.1 | -42.3 | 176.1 | -73.5 | -171.4 | -59.9 | -89.6 | 1.6 | 112.2 | G31 S32 I33 R39 | G31-R35 WeakPolarHBondContact O-CG 3.45Å; G31-R35 PolarHBondContact O-N 3.12Å; S32-R35 PolarHBondContact O-N 2.9Å; S32-R35 PolarHBondContact OG-NH2 2.91Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 3.15Å; R35-R39 PolarHBondContact O-N 3.15Å |
| 36 | L | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 93.4 Ų | 93.4 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 175.4 | -68.9 | 173.3 | 0 | 0 | 0 | 111.8 | S32 I33 R34 R38 R39 G40 | S32-L36 PolarHBondContact O-N 3.3Å; I33-L36 PolarHBondContact O-N 3.31Å; R34-L36 VanDerWaalsContact C-N 3.34Å; R34-L36 PolarHBondContact O-N 3.45Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 3.41Å; L36-R39 WeakPolarHBondContact O-CB 3.26Å; L36-R39 PolarHBondContact O-N 3.32Å; L36-G40 PolarHBondContact O-N 3.34Å |
| 37 | A | 97.3 | Very high | 97 | Very high | 21 Ų | 21 | 87.4 Ų | 87.4 | 17% | 0.174 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I33 R34 G40 G41 V42 I45 | I33-A37 WeakPolarHBondContact O-CB 3.38Å; I33-A37 PolarHBondContact O-N 2.86Å; R34-A37 PolarHBondContact O-N 3.02Å; A37-G40 CarbonylContact O-C 3.53Å; A37-G40 PolarHBondContact O-N 3.19Å; A37-G40 VanDerWaalsContact O-N 3.16Å; A37-G41 PolarHBondContact O-N 3.1Å; A37-V42 HydrophobicContact CB-CB 4.01Å; A37-V42 HydrophobicContact CB-CG1 4.48Å; A37-V42 HydrophobicContact CB-CG2 4.09Å; A37-V42 VanDerWaalsContact O-CB 3.26Å; A37-V42 WeakPolarHBondContact O-CB 2.81Å; A37-V42 WeakPolarHBondContact O-CG2 3.37Å; A37-V42 PolarHBondContact O-N 3.2Å; A37-I45 HydrophobicContact CB-CD1 3.47Å; A37-I45 VanDerWaalsContact CB-CD1 3.47Å; A37-I45 HydrophobicContact CB-CG1 4.19Å |
| 38 | R | 97.9 | Very high | 97.1 | Very high | 129 Ų | 129 | 89.9 Ų | 89.9 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 174 | -67.5 | -47.4 | -178.2 | -175.9 | 2.5 | 112.1 | R34 L36 G40 G41 V42 K43 | R34-R38 HydrophobicContact CG-CG 4.3Å; R34-R38 WeakPolarHBondContact O-CB 3.21Å; R34-R38 VanDerWaalsContact O-CG 3.26Å; R34-R38 WeakPolarHBondContact O-CG 3.32Å; R34-R38 PolarHBondContact O-N 2.96Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 3.41Å; R38-G40 PolarHBondContact O-N 3.03Å; R38-G41 PolarHBondContact O-N 3.43Å; R38-V42 WeakPolarHBondContact CD-O 3.49Å; R38-V42 PolarHBondContact NH1-O 3.46Å; R38-K43 PolarHBondContact NH1-O 3.41Å |
| 39 | R | 98.1 | Very high | 97.2 | Very high | 208 Ų | 208 | 90.6 Ų | 90.6 | 79% | 0.785 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.3 | -32.7 | 174.3 | -172.3 | -179.4 | -66.2 | 152.2 | -3.3 | 112 | R35 L36 G41 | R35-R39 PolarHBondContact O-N 3.15Å; L36-R39 WeakPolarHBondContact O-CB 3.26Å; L36-R39 PolarHBondContact O-N 3.32Å; R39-G41 VanDerWaalsContact C-N 3.28Å; R39-G41 PolarHBondContact O-N 2.95Å |
| 40 | G | 97.4 | Very high | 97.2 | Very high | 64 Ų | 64 | 88.7 Ų | 88.7 | 66% | 0.66 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 6.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L36 A37 R38 | L36-G40 PolarHBondContact O-N 3.34Å; A37-G40 CarbonylContact O-C 3.53Å; A37-G40 PolarHBondContact O-N 3.19Å; A37-G40 VanDerWaalsContact O-N 3.16Å; R38-G40 PolarHBondContact O-N 3.03Å |
| 41 | G | 97.8 | Very high | 97.1 | Very high | 66 Ų | 66 | 86.3 Ų | 86.3 | 68% | 0.68 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 11.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A37 R38 R39 K43 | A37-G41 PolarHBondContact O-N 3.1Å; R38-G41 PolarHBondContact O-N 3.43Å; R39-G41 VanDerWaalsContact C-N 3.28Å; R39-G41 PolarHBondContact O-N 2.95Å; G41-K43 PolarHBondContact O-N 2.9Å |
| 42 | V | 97.6 | Very high | 97.1 | Very high | 59 Ų | 59 | 91.6 Ų | 91.6 | 36% | 0.358 | 47% | 0.472 | S | S | . | . | trans | -72.2 | 120.9 | -179 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | A37 R38 R44 I45 | A37-V42 HydrophobicContact CB-CB 4.01Å; A37-V42 HydrophobicContact CB-CG1 4.48Å; A37-V42 HydrophobicContact CB-CG2 4.09Å; A37-V42 VanDerWaalsContact O-CB 3.26Å; A37-V42 WeakPolarHBondContact O-CB 2.81Å; A37-V42 WeakPolarHBondContact O-CG2 3.37Å; A37-V42 PolarHBondContact O-N 3.2Å; R38-V42 WeakPolarHBondContact CD-O 3.49Å; R38-V42 PolarHBondContact NH1-O 3.46Å; V42-R44 WeakPolarHBondContact CG1-O 3.45Å; V42-I45 HydrophobicContact CG1-CG1 3.7Å | ||
| 43 | K | 97.2 | Very high | 97.1 | Very high | 175 Ų | 175 | 92.3 Ų | 92.3 | 76% | 0.761 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -84.1 | -36.2 | -179.2 | -171.6 | 174.9 | -177.8 | 175.2 | 0 | 114.4 | R38 G41 | R38-K43 PolarHBondContact NH1-O 3.41Å; G41-K43 PolarHBondContact O-N 2.9Å |
| 44 | R | 97.1 | Very high | 97 | Very high | 215 Ų | 215 | 93.5 Ų | 93.5 | 81% | 0.811 | 48% | 0.479 | S | S | * | . | trans | -136.1 | 144 | 176.3 | -67.3 | -174.5 | -179.2 | -85 | 1.8 | 109.6 | V42 | V42-R44 WeakPolarHBondContact CG1-O 3.45Š| ||
| 45 | I | 96.6 | Very high | 97 | Very high | 39 Ų | 39 | 90 Ų | 90 | 20% | 0.2 | 48% | 0.477 | C | S | . | . | trans | -128.2 | 126.5 | -176.7 | -55.4 | 169.7 | 0 | 0 | 0 | 107.3 | R34 A37 V42 I49 Y50 | R34-I45 HydrophobicContact CB-CD1 4.41Å; R34-I45 HydrophobicContact CG-CD1 4.17Å; A37-I45 HydrophobicContact CB-CD1 3.47Å; A37-I45 VanDerWaalsContact CB-CD1 3.47Å; A37-I45 HydrophobicContact CB-CG1 4.19Å; V42-I45 HydrophobicContact CG1-CG1 3.7Å; I45-I49 HydrophobicContact CG2-CB 3.99Å; I45-I49 HydrophobicContact CG2-CG1 4.47Å; I45-I49 HydrophobicContact CG2-CG2 4.09Å; I45-Y50 HydrophobicContact CG2-CE1 4.41Å | ||
| 46 | S | 96.5 | Very high | 97 | Very high | 72 Ų | 72 | 87 Ų | 87 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | trans | -74.8 | 151 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | V48 I49 | S46-V48 PolarHBondContact O-N 3.43Å; S46-I49 WeakPolarHBondContact O-CB 3.4Å; S46-I49 PolarHBondContact O-N 3.45Å | ||
| 47 | G | 95.4 | Very high | 96.9 | Very high | 49 Ų | 49 | 85.3 Ų | 85.3 | 51% | 0.505 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I49 Y50 | G47-I49 VanDerWaalsContact C-N 3.27Å; G47-I49 PolarHBondContact O-N 2.87Å; G47-Y50 WeakPolarHBondContact O-CD2 3.34Å |
| 48 | V | 96.3 | Very high | 96.9 | Very high | 108 Ų | 108 | 89.2 Ų | 89.2 | 66% | 0.655 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -23.6 | 180 | -59.8 | 0 | 0 | 0 | 0 | 113.3 | S46 Y50 D51 E52 | S46-V48 PolarHBondContact O-N 3.43Å; V48-Y50 PolarHBondContact O-N 3.33Å; V48-D51 PolarHBondContact O-N 2.78Å; V48-E52 PolarHBondContact O-N 3.21Å |
| 49 | I | 96.8 | Very high | 96.8 | Very high | 70 Ų | 70 | 86.6 Ų | 86.6 | 36% | 0.359 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -23.9 | -175.9 | -61.7 | -62.8 | 0 | 0 | 0 | 111.9 | I45 S46 G47 D51 E52 V53 | I45-I49 HydrophobicContact CG2-CB 3.99Å; I45-I49 HydrophobicContact CG2-CG1 4.47Å; I45-I49 HydrophobicContact CG2-CG2 4.09Å; S46-I49 WeakPolarHBondContact O-CB 3.4Å; S46-I49 PolarHBondContact O-N 3.45Å; G47-I49 VanDerWaalsContact C-N 3.27Å; G47-I49 PolarHBondContact O-N 2.87Å; I49-D51 PolarHBondContact O-N 3.02Å; I49-E52 PolarHBondContact O-N 3.45Å; I49-V53 HydrophobicContact CG2-CG2 3.73Å; I49-V53 WeakPolarHBondContact O-CB 3.44Å; I49-V53 WeakPolarHBondContact O-CG2 3.28Å; I49-V53 PolarHBondContact O-N 3.35Å |
| 50 | Y | 96.8 | Very high | 96.7 | Very high | 30 Ų | 30 | 81.5 Ų | 81.5 | 12% | 0.118 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | -178.4 | -62.9 | -59 | 0 | 0 | 0 | 112.9 | R30 I33 I45 G47 V48 R54 | R30-Y50 HydrophobicContact CB-CD1 4.06Å; R30-Y50 HydrophobicContact CB-CE1 3.98Å; R30-Y50 HydrophobicContact CB-CG 4.48Å; R30-Y50 HydrophobicContact CG-CD1 3.9Å; R30-Y50 HydrophobicContact CG-CD2 4.02Å; R30-Y50 HydrophobicContact CG-CE1 4.21Å; R30-Y50 HydrophobicContact CG-CE2 4.31Å; R30-Y50 HydrophobicContact CG-CG 3.84Å; I33-Y50 HydrophobicContact CB-CD1 4.1Å; I33-Y50 HydrophobicContact CB-CE1 4.48Å; I33-Y50 HydrophobicContact CD1-CD1 4.07Å; I33-Y50 WeakPolarHBondContact CD1-O 3.18Å; I33-Y50 HydrophobicContact CG2-CD1 3.94Å; I33-Y50 HydrophobicContact CG2-CE1 4.35Å; I45-Y50 HydrophobicContact CG2-CE1 4.41Å; G47-Y50 WeakPolarHBondContact O-CD2 3.34Å; V48-Y50 PolarHBondContact O-N 3.33Å; Y50-R54 WeakPolarHBondContact O-CG 3.47Å; Y50-R54 PolarHBondContact O-N 3.18Å |
| 51 | D | 95.5 | Very high | 96.7 | Very high | 102 Ų | 102 | 81.8 Ų | 81.8 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -80.4 | -34.7 | 179.9 | -67.2 | -42.8 | 0 | 0 | 0 | 111.4 | V48 I49 V53 R54 G55 | V48-D51 PolarHBondContact O-N 2.78Å; I49-D51 PolarHBondContact O-N 3.02Å; D51-V53 PolarHBondContact O-N 3.16Å; D51-R54 WeakPolarHBondContact O-CB 3.47Å; D51-R54 PolarHBondContact O-N 3.34Å; D51-R54 VanDerWaalsContact O-N 3.17Å; D51-R54 IonicContact OD1-CZ 3.93Å; D51-R54 IonicContact OD1-NH1 3.61Å; D51-R54 PolarHBondContact OD1-NH1 3.3Å; D51-G55 PolarHBondContact O-N 2.93Å |
| 52 | E | 96.7 | Very high | 96.6 | Very high | 124 Ų | 124 | 83.1 Ų | 83.1 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.5 | -48.8 | 173.3 | -170.6 | 57.9 | -152.4 | 0 | 0 | 111.7 | V48 I49 R54 G55 V56 | V48-E52 PolarHBondContact O-N 3.21Å; I49-E52 PolarHBondContact O-N 3.45Å; E52-R54 PolarHBondContact O-N 3.03Å; E52-G55 PolarHBondContact O-N 2.99Å; E52-V56 WeakPolarHBondContact O-CG2 3.28Å; E52-V56 PolarHBondContact O-N 3.04Å |
| 53 | V | 97.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 80.7 Ų | 80.7 | 29% | 0.285 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.4 | -33.2 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | I33 I49 D51 L57 | I33-V53 HydrophobicContact CD1-CB 4.32Å; I33-V53 HydrophobicContact CD1-CG1 4.28Å; I33-V53 HydrophobicContact CG1-CG1 4.14Å; I33-V53 HydrophobicContact CG2-CB 4.1Å; I33-V53 HydrophobicContact CG2-CG1 3.99Å; I33-V53 HydrophobicContact CG2-CG2 4.12Å; I49-V53 HydrophobicContact CG2-CG2 3.73Å; I49-V53 WeakPolarHBondContact O-CB 3.44Å; I49-V53 WeakPolarHBondContact O-CG2 3.28Å; I49-V53 PolarHBondContact O-N 3.35Å; D51-V53 PolarHBondContact O-N 3.16Å; V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 PolarHBondContact O-N 3.02Å |
| 54 | R | 97 | Very high | 96.6 | Very high | 31 Ų | 31 | 73 Ų | 73 | 12% | 0.117 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 174.8 | -77.1 | 177.2 | -170.9 | 117 | 3.7 | 111.9 | V25 I28 I33 Y50 D51 E52 K58 | V25-R54 HydrophobicContact CG1-CB 3.71Å; V25-R54 HydrophobicContact CG1-CG 4.1Å; I28-R54 PolarHBondContact O-NE 3.47Å; I28-R54 VanDerWaalsContact O-NE 3.08Å; I28-R54 PolarHBondContact O-NH2 3.07Å; I33-R54 HydrophobicContact CD1-CG 4.27Å; Y50-R54 WeakPolarHBondContact O-CG 3.47Å; Y50-R54 PolarHBondContact O-N 3.18Å; D51-R54 WeakPolarHBondContact O-CB 3.47Å; D51-R54 PolarHBondContact O-N 3.34Å; D51-R54 VanDerWaalsContact O-N 3.17Å; D51-R54 IonicContact OD1-CZ 3.93Å; D51-R54 IonicContact OD1-NH1 3.61Å; D51-R54 PolarHBondContact OD1-NH1 3.3Å; E52-R54 PolarHBondContact O-N 3.03Å; R54-K58 VanDerWaalsContact O-CB 3.28Å; R54-K58 WeakPolarHBondContact O-CB 3.26Å; R54-K58 PolarHBondContact O-N 3.26Å |
| 55 | G | 96.4 | Very high | 96.7 | Very high | 35 Ų | 35 | 66.4 Ų | 66.4 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D51 E52 K58 S59 | D51-G55 PolarHBondContact O-N 2.93Å; E52-G55 PolarHBondContact O-N 2.99Å; G55-K58 PolarHBondContact O-N 2.9Å; G55-S59 PolarHBondContact O-N 3.23Å; G55-S59 PolarHBondContact O-OG 3.12Å |
| 56 | V | 97.1 | Very high | 96.7 | Very high | 88 Ų | 88 | 72.9 Ų | 72.9 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 177.2 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | E52 K58 S59 F60 | E52-V56 WeakPolarHBondContact O-CG2 3.28Å; E52-V56 PolarHBondContact O-N 3.04Å; V56-K58 VanDerWaalsContact C-N 3.34Å; V56-K58 PolarHBondContact O-N 3.18Å; V56-S59 PolarHBondContact O-N 2.98Å; V56-F60 WeakPolarHBondContact O-CB 3.45Å; V56-F60 PolarHBondContact O-N 3.5Å |
| 57 | L | 96.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 70.4 Ų | 70.4 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 179.6 | 179.7 | 61.9 | 0 | 0 | 0 | 111.6 | I28 V53 F60 V61 | I28-L57 HydrophobicContact CD1-CD2 4.08Å; I28-L57 HydrophobicContact CG1-CD2 3.84Å; I28-L57 HydrophobicContact CG2-CD2 4.14Å; V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 PolarHBondContact O-N 3.02Å; L57-F60 PolarHBondContact O-N 3.4Å; L57-V61 HydrophobicContact CD1-CG2 4.17Å; L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 2.98Å |
| 58 | K | 96.1 | Very high | 96.8 | Very high | 102 Ų | 102 | 68.2 Ų | 68.2 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.6 | -52 | 175.5 | -179.5 | -175.6 | 172.9 | -177.1 | 0 | 110.6 | V25 R54 G55 V56 F60 V61 E62 | V25-K58 HydrophobicContact CG1-CB 4.42Å; V25-K58 HydrophobicContact CG2-CD 4.13Å; V25-K58 HydrophobicContact CG2-CG 4.48Å; R54-K58 VanDerWaalsContact O-CB 3.28Å; R54-K58 WeakPolarHBondContact O-CB 3.26Å; R54-K58 PolarHBondContact O-N 3.26Å; G55-K58 PolarHBondContact O-N 2.9Å; V56-K58 VanDerWaalsContact C-N 3.34Å; V56-K58 PolarHBondContact O-N 3.18Å; K58-F60 VanDerWaalsContact C-N 3.3Å; K58-F60 PolarHBondContact O-N 2.97Å; K58-V61 PolarHBondContact O-N 2.97Å; K58-E62 WeakPolarHBondContact CE-OE1 3.49Å; K58-E62 HydrophobicContact CG-CG 4.28Å; K58-E62 IonicContact NZ-OE1 3.86Å; K58-E62 WeakPolarHBondContact O-CB 3.49Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.22Å |
| 59 | S | 96.6 | Very high | 96.9 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.4 | -39.8 | -178.7 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | G55 V56 G63 | G55-S59 PolarHBondContact O-N 3.23Å; G55-S59 PolarHBondContact O-OG 3.12Å; V56-S59 PolarHBondContact O-N 2.98Å; S59-G63 PolarHBondContact O-N 3.4Å |
| 60 | F | 96.6 | Very high | 97 | Very high | 100 Ų | 100 | 64.4 Ų | 64.4 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -52.3 | 175.5 | 177 | -98.2 | 0 | 0 | 0 | 111.8 | V56 L57 K58 G63 V64 L89 | V56-F60 WeakPolarHBondContact O-CB 3.45Å; V56-F60 PolarHBondContact O-N 3.5Å; L57-F60 PolarHBondContact O-N 3.4Å; K58-F60 VanDerWaalsContact C-N 3.3Å; K58-F60 PolarHBondContact O-N 2.97Å; F60-G63 PolarHBondContact O-N 2.89Å; F60-V64 HydrophobicContact CE1-CG2 4.09Å; F60-V64 HydrophobicContact CE2-CG2 4.26Å; F60-V64 HydrophobicContact CZ-CG2 3.95Å; F60-V64 WeakPolarHBondContact O-CG2 3.46Å; F60-V64 PolarHBondContact O-N 3.22Å; F60-V64 VanDerWaalsContact O-N 3.1Å; F60-L89 HydrophobicContact CZ-CD2 4.18Å |
| 61 | V | 96.6 | Very high | 97 | Very high | 70 Ų | 70 | 66.7 Ų | 66.7 | 42% | 0.424 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | -178 | 174 | 0 | 0 | 0 | 0 | 111.2 | L57 K58 G63 V64 V65 | L57-V61 HydrophobicContact CD1-CG2 4.17Å; L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 2.98Å; K58-V61 PolarHBondContact O-N 2.97Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 2.89Å; V61-V64 PolarHBondContact O-N 3.07Å; V61-V65 HydrophobicContact CG1-CG2 3.95Å; V61-V65 WeakPolarHBondContact O-CB 3.48Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 2.77Å |
| 62 | E | 96.7 | Very high | 97.1 | Very high | 94 Ų | 94 | 62.1 Ų | 62.1 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.2 | -43.3 | 177 | -79.5 | -179.7 | 167.2 | 0 | 0 | 111.7 | K58 R66 | K58-E62 WeakPolarHBondContact CE-OE1 3.49Å; K58-E62 HydrophobicContact CG-CG 4.28Å; K58-E62 IonicContact NZ-OE1 3.86Å; K58-E62 WeakPolarHBondContact O-CB 3.49Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.22Å; E62-R66 VanDerWaalsContact O-CB 3.3Å; E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 PolarHBondContact O-N 3.36Å |
| 63 | G | 97.1 | Very high | 97.1 | Very high | 9 Ų | 9 | 63.1 Ų | 63.1 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.8 | -49.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S59 F60 V61 V65 R66 D67 R92 | S59-G63 PolarHBondContact O-N 3.4Å; F60-G63 PolarHBondContact O-N 2.89Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 2.89Å; G63-V65 VanDerWaalsContact C-N 3.3Å; G63-V65 PolarHBondContact O-N 2.77Å; G63-R66 WeakPolarHBondContact O-CB 3.4Å; G63-R66 PolarHBondContact O-N 3.24Å; G63-D67 PolarHBondContact O-N 3.45Å; G63-D67 VanDerWaalsContact O-N 3.12Å; G63-R92 VanDerWaalsContact CA-NH1 3.33Å; G63-R92 VanDerWaalsContact O-CZ 3.27Å; G63-R92 PolarHBondContact O-NH2 3.22Å |
| 64 | V | 97.5 | Very high | 97.1 | Very high | 12 Ų | 12 | 70.5 Ų | 70.5 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | -178.5 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | F60 V61 D67 A68 V85 A88 L89 | F60-V64 HydrophobicContact CE1-CG2 4.09Å; F60-V64 HydrophobicContact CE2-CG2 4.26Å; F60-V64 HydrophobicContact CZ-CG2 3.95Å; F60-V64 WeakPolarHBondContact O-CG2 3.46Å; F60-V64 PolarHBondContact O-N 3.22Å; F60-V64 VanDerWaalsContact O-N 3.1Å; V61-V64 PolarHBondContact O-N 3.07Å; V64-D67 PolarHBondContact O-N 3.48Å; V64-A68 WeakPolarHBondContact O-CB 3.43Å; V64-A68 PolarHBondContact O-N 3.03Å; V64-V85 HydrophobicContact CG1-CG1 4.06Å; V64-A88 HydrophobicContact CG1-CB 4.38Å; V64-L89 HydrophobicContact CB-CD2 4.46Å; V64-L89 HydrophobicContact CG1-CD2 3.86Å; V64-L89 HydrophobicContact CG1-CG 4.01Å; V64-L89 HydrophobicContact CG2-CD2 3.66Å |
| 65 | V | 97.4 | Very high | 97 | Very high | 77 Ų | 77 | 71.6 Ų | 71.6 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 178.3 | 174 | 0 | 0 | 0 | 0 | 111.4 | V61 G63 D67 A68 T69 | V61-V65 HydrophobicContact CG1-CG2 3.95Å; V61-V65 WeakPolarHBondContact O-CB 3.48Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 2.77Å; G63-V65 VanDerWaalsContact C-N 3.3Å; G63-V65 PolarHBondContact O-N 2.77Å; V65-D67 PolarHBondContact O-N 2.9Å; V65-A68 PolarHBondContact O-N 2.94Å; V65-T69 HydrophobicContact CG1-CG2 4.12Å; V65-T69 WeakPolarHBondContact O-CB 3.28Å; V65-T69 WeakPolarHBondContact O-CG2 3.48Å; V65-T69 PolarHBondContact O-N 3.28Å; V65-T69 PolarHBondContact O-OG1 3.41Å |
| 66 | R | 97.6 | Very high | 97 | Very high | 176 Ų | 176 | 81.2 Ų | 81.2 | 66% | 0.664 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 174.8 | -174.8 | -175.6 | -60.8 | 176 | 1 | 111.9 | E62 G63 T69 A70 | E62-R66 VanDerWaalsContact O-CB 3.3Å; E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 PolarHBondContact O-N 3.36Å; G63-R66 WeakPolarHBondContact O-CB 3.4Å; G63-R66 PolarHBondContact O-N 3.24Å; R66-T69 WeakPolarHBondContact CA-OG1 3.3Å; R66-T69 PolarHBondContact O-OG1 3.06Å; R66-A70 PolarHBondContact O-N 2.93Å |
| 67 | D | 97.3 | Very high | 97 | Very high | 20 Ų | 20 | 82.2 Ų | 82.2 | 11% | 0.107 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69 | -39.7 | 177.7 | -72.2 | -50.3 | 0 | 0 | 0 | 111.6 | G63 V64 V65 A70 Y71 A88 K91 R92 | G63-D67 PolarHBondContact O-N 3.45Å; G63-D67 VanDerWaalsContact O-N 3.12Å; V64-D67 PolarHBondContact O-N 3.48Å; V65-D67 PolarHBondContact O-N 2.9Å; D67-A70 WeakPolarHBondContact O-CB 3.36Å; D67-A70 PolarHBondContact O-N 3.34Å; D67-Y71 WeakPolarHBondContact O-CD2 3.18Å; D67-Y71 PolarHBondContact O-N 3.24Å; D67-A88 HydrophobicContact CB-CB 3.6Å; D67-K91 IonicContact OD1-NZ 3.78Å; D67-K91 PolarHBondContact OD1-NZ 3.2Å; D67-R92 IonicContact OD2-CZ 2.7Å; D67-R92 VanDerWaalsContact OD2-CZ 3.22Å; D67-R92 IonicContact OD2-NE 2.72Å; D67-R92 PolarHBondContact OD2-NE 3.37Å; D67-R92 IonicContact OD2-NH2 3.43Å; D67-R92 PolarHBondContact OD2-NH2 2.94Å |
| 68 | A | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 89.6 Ų | 89.6 | 3% | 0.025 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V64 V65 A70 Y71 T72 V80 D84 V85 A88 | V64-A68 WeakPolarHBondContact O-CB 3.43Å; V64-A68 PolarHBondContact O-N 3.03Å; V65-A68 PolarHBondContact O-N 2.94Å; A68-A70 VanDerWaalsContact C-N 3.3Å; A68-A70 PolarHBondContact O-N 2.76Å; A68-Y71 PolarHBondContact O-N 3.45Å; A68-Y71 VanDerWaalsContact O-N 3.17Å; A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 2.96Å; A68-T72 VanDerWaalsContact O-OG1 3.09Å; A68-V80 HydrophobicContact CB-CG1 4.12Å; A68-D84 HydrophobicContact CB-CB 4.38Å; A68-V85 HydrophobicContact CB-CG2 4.15Å; A68-A88 HydrophobicContact CB-CB 3.97Å |
| 69 | T | 97.8 | Very high | 97 | Very high | 47 Ų | 47 | 89.7 Ų | 89.7 | 29% | 0.288 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 176.9 | 47.1 | 0 | 0 | 0 | 0 | 112 | V65 R66 Y71 T72 E73 V80 | V65-T69 HydrophobicContact CG1-CG2 4.12Å; V65-T69 WeakPolarHBondContact O-CB 3.28Å; V65-T69 WeakPolarHBondContact O-CG2 3.48Å; V65-T69 PolarHBondContact O-N 3.28Å; V65-T69 PolarHBondContact O-OG1 3.41Å; R66-T69 WeakPolarHBondContact CA-OG1 3.3Å; R66-T69 PolarHBondContact O-OG1 3.06Å; T69-Y71 PolarHBondContact O-N 3.36Å; T69-T72 PolarHBondContact O-N 3.44Å; T69-E73 WeakPolarHBondContact O-CB 3.4Å; T69-E73 WeakPolarHBondContact O-CG 3.32Å; T69-E73 PolarHBondContact O-N 3.3Å; T69-V80 HydrophobicContact CG2-CG2 4.08Å |
| 70 | A | 97.6 | Very high | 97.1 | Very high | 51 Ų | 51 | 89.3 Ų | 89.3 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | R66 D67 A68 Y74 | R66-A70 PolarHBondContact O-N 2.93Å; D67-A70 WeakPolarHBondContact O-CB 3.36Å; D67-A70 PolarHBondContact O-N 3.34Å; A68-A70 VanDerWaalsContact C-N 3.3Å; A68-A70 PolarHBondContact O-N 2.76Å; A70-Y74 WeakPolarHBondContact O-CB 3.34Å; A70-Y74 PolarHBondContact O-N 2.85Å |
| 71 | Y | 96.8 | Very high | 97.1 | Very high | 77 Ų | 77 | 86.7 Ų | 86.7 | 30% | 0.302 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 174.1 | -70.8 | -62 | 0 | 0 | 0 | 112.6 | D67 A68 T69 Y74 S75 N87 A88 | D67-Y71 WeakPolarHBondContact O-CD2 3.18Å; D67-Y71 PolarHBondContact O-N 3.24Å; A68-Y71 PolarHBondContact O-N 3.45Å; A68-Y71 VanDerWaalsContact O-N 3.17Å; T69-Y71 PolarHBondContact O-N 3.36Å; Y71-Y74 PolarHBondContact O-N 3.06Å; Y71-S75 WeakPolarHBondContact O-CB 3.16Å; Y71-S75 PolarHBondContact O-N 3.4Å; Y71-S75 PolarHBondContact O-OG 3.37Å; Y71-N87 HydrophobicContact CD2-CB 3.98Å; Y71-N87 HydrophobicContact CE2-CB 3.73Å; Y71-A88 HydrophobicContact CE2-CB 4.37Å |
| 72 | T | 97.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 85.5 Ų | 85.5 | 4% | 0.037 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | A68 T69 S75 R76 K77 T79 V80 D84 | A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 2.96Å; A68-T72 VanDerWaalsContact O-OG1 3.09Å; T69-T72 PolarHBondContact O-N 3.44Å; T72-S75 PolarHBondContact O-N 2.85Å; T72-R76 PolarHBondContact O-N 3.14Å; T72-K77 HydrophobicContact CG2-CB 3.87Å; T72-K77 WeakPolarHBondContact CG2-O 3.36Å; T72-K77 PolarHBondContact O-N 3.34Å; T72-T79 WeakPolarHBondContact CG2-O 3.33Å; T72-V80 HydrophobicContact CG2-CG2 4.3Å; T72-V80 WeakPolarHBondContact OG1-CA 3.42Å; T72-D84 VanDerWaalsContact OG1-CG 3.31Å; T72-D84 PolarHBondContact OG1-OD2 3.17Å |
| 73 | E | 97.3 | Very high | 97 | Very high | 146 Ų | 146 | 84 Ų | 84 | 68% | 0.682 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.9 | -45.7 | 176.5 | -75.5 | 178.2 | 172.3 | 0 | 0 | 111.6 | T69 S75 R76 | T69-E73 WeakPolarHBondContact O-CB 3.4Å; T69-E73 WeakPolarHBondContact O-CG 3.32Å; T69-E73 PolarHBondContact O-N 3.3Å; E73-S75 PolarHBondContact O-N 3.29Å; E73-R76 PolarHBondContact O-N 2.99Å |
| 74 | Y | 97.1 | Very high | 97 | Very high | 202 Ų | 202 | 83.8 Ų | 83.8 | 79% | 0.792 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -56.1 | -39.7 | 174.6 | 177.9 | -100.3 | 0 | 0 | 0 | 112 | A70 Y71 R76 | A70-Y74 WeakPolarHBondContact O-CB 3.34Å; A70-Y74 PolarHBondContact O-N 2.85Å; Y71-Y74 PolarHBondContact O-N 3.06Å; Y74-R76 PolarHBondContact O-N 2.91Å |
| 75 | S | 95.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 85.6 Ų | 85.6 | 38% | 0.378 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 2.3 | 178.1 | -56.5 | 0 | 0 | 0 | 0 | 114.1 | Y71 T72 E73 K77 | Y71-S75 WeakPolarHBondContact O-CB 3.16Å; Y71-S75 PolarHBondContact O-N 3.4Å; Y71-S75 PolarHBondContact O-OG 3.37Å; T72-S75 PolarHBondContact O-N 2.85Å; E73-S75 PolarHBondContact O-N 3.29Å; S75-K77 PolarHBondContact O-N 3.28Å |
| 76 | R | 96.8 | Very high | 96.9 | Very high | 236 Ų | 236 | 83.3 Ų | 83.3 | 89% | 0.891 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 30 | -174.1 | -54.9 | -180 | -176.5 | 176.9 | 0.6 | 113.4 | T72 E73 Y74 | T72-R76 PolarHBondContact O-N 3.14Å; E73-R76 PolarHBondContact O-N 2.99Å; Y74-R76 PolarHBondContact O-N 2.91Å |
| 77 | K | 96.8 | Very high | 96.8 | Very high | 109 Ų | 109 | 77.8 Ų | 77.8 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | trans | -96.6 | 155.2 | 177.6 | -68.2 | 173.8 | -174.1 | 171 | 0 | 109.8 | T72 S75 | T72-K77 HydrophobicContact CG2-CB 3.87Å; T72-K77 WeakPolarHBondContact CG2-O 3.36Å; T72-K77 PolarHBondContact O-N 3.34Å; S75-K77 PolarHBondContact O-N 3.28Å | ||
| 78 | K | 95.9 | Very high | 96.8 | Very high | 216 Ų | 216 | 76.8 Ų | 76.8 | 94% | 0.939 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -105.3 | -2.2 | 173.1 | -64.2 | -177.5 | -179.1 | 177.2 | 0 | 113.1 | ||
| 79 | T | 97.5 | Very high | 96.8 | Very high | 104 Ų | 104 | 77.5 Ų | 77.5 | 64% | 0.638 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -122.6 | 119.9 | -176.1 | -52.9 | 0 | 0 | 0 | 0 | 108.1 | T72 T81 | T72-T79 WeakPolarHBondContact CG2-O 3.33Å; T79-T81 PolarHBondContact O-N 3.44Å |
| 80 | V | 97 | Very high | 96.7 | Very high | 66 Ų | 66 | 83.7 Ų | 83.7 | 40% | 0.4 | 41% | 0.408 | S | S | . | . | trans | -67.9 | 124.6 | 172.8 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | A68 T69 T72 D84 V85 | A68-V80 HydrophobicContact CB-CG1 4.12Å; T69-V80 HydrophobicContact CG2-CG2 4.08Å; T72-V80 HydrophobicContact CG2-CG2 4.3Å; T72-V80 WeakPolarHBondContact OG1-CA 3.42Å; V80-D84 HydrophobicContact CG1-CB 4.07Å; V80-V85 HydrophobicContact CG1-CG2 3.96Å | ||
| 81 | T | 96.7 | Very high | 96.6 | Very high | 46 Ų | 46 | 87.6 Ų | 87.6 | 28% | 0.282 | 42% | 0.415 | S | S | . | . | trans | -94.7 | 162.7 | 179.3 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | T79 V83 D84 V85 | T79-T81 PolarHBondContact O-N 3.44Å; T81-V83 PolarHBondContact O-N 2.94Å; T81-D84 PolarHBondContact N-OD2 2.89Å; T81-D84 WeakPolarHBondContact O-CB 3.45Å; T81-D84 PolarHBondContact O-N 3.25Å; T81-D84 VanDerWaalsContact O-N 3.17Å; T81-D84 PolarHBondContact OG1-N 3.34Å; T81-D84 PolarHBondContact OG1-OD2 2.83Å; T81-V85 PolarHBondContact O-N 3.03Å | ||
| 82 | A | 96.2 | Very high | 96.4 | Very high | 44 Ų | 44 | 88.6 Ų | 88.6 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D84 V85 V86 | A82-D84 VanDerWaalsContact C-N 3.33Å; A82-D84 PolarHBondContact O-N 3.28Å; A82-V85 PolarHBondContact O-N 3.29Å; A82-V85 VanDerWaalsContact O-N 3.14Å; A82-V86 WeakPolarHBondContact O-CG2 3.48Å; A82-V86 PolarHBondContact O-N 3.28Å |
| 83 | V | 95.6 | Very high | 96.3 | Very high | 62 Ų | 62 | 91.2 Ų | 91.2 | 38% | 0.376 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.7 | -42.1 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | T81 V85 V86 N87 A100 | T81-V83 PolarHBondContact O-N 2.94Å; V83-V85 VanDerWaalsContact C-N 3.28Å; V83-V85 PolarHBondContact O-N 3.39Å; V83-V86 PolarHBondContact O-N 2.91Å; V83-N87 WeakPolarHBondContact O-CB 3.45Å; V83-N87 VanDerWaalsContact O-CG 3.26Å; V83-N87 PolarHBondContact O-N 2.77Å; V83-N87 PolarHBondContact O-ND2 3.36Å; V83-A100 WeakPolarHBondContact CG2-OXT 3.29Å |
| 84 | D | 96.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 90.5 Ų | 90.5 | 3% | 0.032 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61 | -40 | 178.1 | -60.8 | -39.7 | 0 | 0 | 0 | 111.4 | A68 T72 V80 T81 A82 A88 | A68-D84 HydrophobicContact CB-CB 4.38Å; T72-D84 VanDerWaalsContact OG1-CG 3.31Å; T72-D84 PolarHBondContact OG1-OD2 3.17Å; V80-D84 HydrophobicContact CG1-CB 4.07Å; T81-D84 PolarHBondContact N-OD2 2.89Å; T81-D84 WeakPolarHBondContact O-CB 3.45Å; T81-D84 PolarHBondContact O-N 3.25Å; T81-D84 VanDerWaalsContact O-N 3.17Å; T81-D84 PolarHBondContact OG1-N 3.34Å; T81-D84 PolarHBondContact OG1-OD2 2.83Å; A82-D84 VanDerWaalsContact C-N 3.33Å; A82-D84 PolarHBondContact O-N 3.28Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 3.09Å |
| 85 | V | 96.9 | Very high | 96 | Very high | 50 Ų | 50 | 86.1 Ų | 86.1 | 30% | 0.303 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.7 | -42.7 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | V64 A68 V80 T81 A82 V83 N87 A88 L89 | V64-V85 HydrophobicContact CG1-CG1 4.06Å; A68-V85 HydrophobicContact CB-CG2 4.15Å; V80-V85 HydrophobicContact CG1-CG2 3.96Å; T81-V85 PolarHBondContact O-N 3.03Å; A82-V85 PolarHBondContact O-N 3.29Å; A82-V85 VanDerWaalsContact O-N 3.14Å; V83-V85 VanDerWaalsContact C-N 3.28Å; V83-V85 PolarHBondContact O-N 3.39Å; V85-N87 VanDerWaalsContact C-N 3.3Å; V85-N87 PolarHBondContact O-N 2.85Å; V85-A88 WeakPolarHBondContact O-CB 3.4Å; V85-A88 PolarHBondContact O-N 3.02Å; V85-L89 HydrophobicContact CG1-CD1 4.07Å; V85-L89 HydrophobicContact CG1-CG 4.41Å; V85-L89 WeakPolarHBondContact O-CB 3.4Å; V85-L89 VanDerWaalsContact O-CG 3.29Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.47Å |
| 86 | V | 96.9 | Very high | 95.9 | Very high | 29 Ų | 29 | 87 Ų | 87 | 18% | 0.176 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | A82 V83 L89 R90 | A82-V86 WeakPolarHBondContact O-CG2 3.48Å; A82-V86 PolarHBondContact O-N 3.28Å; V83-V86 PolarHBondContact O-N 2.91Å; V86-L89 PolarHBondContact O-N 3.17Å; V86-R90 WeakPolarHBondContact O-CB 3.38Å; V86-R90 PolarHBondContact O-N 3.35Å |
| 87 | N | 95.6 | Very high | 95.8 | Very high | 59 Ų | 59 | 84.6 Ų | 84.6 | 32% | 0.316 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 176.2 | -72.1 | -25.1 | 0 | 0 | 0 | 112.2 | Y71 V83 V85 L89 R90 K91 | Y71-N87 HydrophobicContact CD2-CB 3.98Å; Y71-N87 HydrophobicContact CE2-CB 3.73Å; V83-N87 WeakPolarHBondContact O-CB 3.45Å; V83-N87 VanDerWaalsContact O-CG 3.26Å; V83-N87 PolarHBondContact O-N 2.77Å; V83-N87 PolarHBondContact O-ND2 3.36Å; V85-N87 VanDerWaalsContact C-N 3.3Å; V85-N87 PolarHBondContact O-N 2.85Å; N87-L89 VanDerWaalsContact C-N 3.32Å; N87-L89 PolarHBondContact O-N 3.39Å; N87-R90 PolarHBondContact O-N 2.93Å; N87-K91 PolarHBondContact O-N 3.29Å |
| 88 | A | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V64 D67 A68 Y71 D84 V85 R92 | V64-A88 HydrophobicContact CG1-CB 4.38Å; D67-A88 HydrophobicContact CB-CB 3.6Å; A68-A88 HydrophobicContact CB-CB 3.97Å; Y71-A88 HydrophobicContact CE2-CB 4.37Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 3.09Å; V85-A88 WeakPolarHBondContact O-CB 3.4Å; V85-A88 PolarHBondContact O-N 3.02Å; A88-R92 WeakPolarHBondContact O-CG 3.39Å; A88-R92 PolarHBondContact O-N 3.08Å |
| 89 | L | 97.1 | Very high | 95.3 | Very high | 18 Ų | 18 | 80.1 Ų | 80.1 | 9% | 0.094 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 176.5 | -71.5 | 171.6 | 0 | 0 | 0 | 111.5 | F60 V64 V85 V86 N87 K91 R92 G93 K94 L96 | F60-L89 HydrophobicContact CZ-CD2 4.18Å; V64-L89 HydrophobicContact CB-CD2 4.46Å; V64-L89 HydrophobicContact CG1-CD2 3.86Å; V64-L89 HydrophobicContact CG1-CG 4.01Å; V64-L89 HydrophobicContact CG2-CD2 3.66Å; V85-L89 HydrophobicContact CG1-CD1 4.07Å; V85-L89 HydrophobicContact CG1-CG 4.41Å; V85-L89 WeakPolarHBondContact O-CB 3.4Å; V85-L89 VanDerWaalsContact O-CG 3.29Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.47Å; V86-L89 PolarHBondContact O-N 3.17Å; N87-L89 VanDerWaalsContact C-N 3.32Å; N87-L89 PolarHBondContact O-N 3.39Å; L89-K91 PolarHBondContact O-N 3.08Å; L89-R92 CarbonylContact O-C 3.11Å; L89-R92 WeakPolarHBondContact O-CA 3.48Å; L89-R92 PolarHBondContact O-N 3.1Å; L89-G93 PolarHBondContact O-N 3.11Å; L89-K94 CarbonylContact C-O 3.48Å; L89-K94 HydrophobicContact CB-CB 4.42Å; L89-K94 WeakPolarHBondContact CB-O 3.39Å; L89-K94 HydrophobicContact CD2-CB 4.38Å; L89-K94 CarbonylContact O-C 3.54Å; L89-K94 PolarHBondContact O-N 3.18Å; L89-K94 VanDerWaalsContact O-O 3.13Å; L89-L96 HydrophobicContact CD1-CB 4.02Å; L89-L96 HydrophobicContact CD1-CD2 3.73Å |
| 90 | R | 95.6 | Very high | 93.9 | Very high | 177 Ų | 177 | 81.6 Ų | 81.6 | 67% | 0.668 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 175.2 | -175.6 | 175.1 | 177.6 | 158.3 | -0.2 | 111.9 | V86 N87 R92 G93 | V86-R90 WeakPolarHBondContact O-CB 3.38Å; V86-R90 PolarHBondContact O-N 3.35Å; N87-R90 PolarHBondContact O-N 2.93Å; R90-R92 PolarHBondContact O-N 3.04Å; R90-G93 PolarHBondContact O-N 3.17Å |
| 91 | K | 95.2 | Very high | 93.7 | Very high | 133 Ų | 133 | 82.4 Ų | 82.4 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.2 | -32.2 | 174.4 | -178.2 | -175.3 | 174 | -169.5 | 0 | 112.5 | D67 N87 L89 G93 | D67-K91 IonicContact OD1-NZ 3.78Å; D67-K91 PolarHBondContact OD1-NZ 3.2Å; N87-K91 PolarHBondContact O-N 3.29Å; L89-K91 PolarHBondContact O-N 3.08Å; K91-G93 VanDerWaalsContact C-N 3.33Å |
| 92 | R | 94 | Very high | 93.6 | Very high | 97 Ų | 97 | 84.3 Ų | 84.3 | 37% | 0.366 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 7.9 | 178.7 | -66.7 | 169 | 172.7 | -102.6 | -27.5 | 113.9 | G63 D67 A88 L89 R90 K94 | G63-R92 VanDerWaalsContact CA-NH1 3.33Å; G63-R92 VanDerWaalsContact O-CZ 3.27Å; G63-R92 PolarHBondContact O-NH2 3.22Å; D67-R92 IonicContact OD2-CZ 2.7Å; D67-R92 VanDerWaalsContact OD2-CZ 3.22Å; D67-R92 IonicContact OD2-NE 2.72Å; D67-R92 PolarHBondContact OD2-NE 3.37Å; D67-R92 IonicContact OD2-NH2 3.43Å; D67-R92 PolarHBondContact OD2-NH2 2.94Å; A88-R92 WeakPolarHBondContact O-CG 3.39Å; A88-R92 PolarHBondContact O-N 3.08Å; L89-R92 CarbonylContact O-C 3.11Å; L89-R92 WeakPolarHBondContact O-CA 3.48Å; L89-R92 PolarHBondContact O-N 3.1Å; R90-R92 PolarHBondContact O-N 3.04Å; R92-K94 VanDerWaalsContact C-N 3.31Å; R92-K94 PolarHBondContact O-N 2.93Å |
| 93 | G | 95.5 | Very high | 93.4 | Very high | 62 Ų | 62 | 86.6 Ų | 86.6 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 22.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | L89 R90 K91 | L89-G93 PolarHBondContact O-N 3.11Å; R90-G93 PolarHBondContact O-N 3.17Å; K91-G93 VanDerWaalsContact C-N 3.33Å |
| 94 | K | 94.2 | Very high | 93.3 | Very high | 131 Ų | 131 | 88 Ų | 88 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | trans | -117.6 | 90.5 | 177.4 | -60.5 | -60.6 | -179.2 | -172.6 | 0 | 109.4 | L89 R92 L96 | L89-K94 CarbonylContact C-O 3.48Å; L89-K94 HydrophobicContact CB-CB 4.42Å; L89-K94 WeakPolarHBondContact CB-O 3.39Å; L89-K94 HydrophobicContact CD2-CB 4.38Å; L89-K94 CarbonylContact O-C 3.54Å; L89-K94 PolarHBondContact O-N 3.18Å; L89-K94 VanDerWaalsContact O-O 3.13Å; R92-K94 VanDerWaalsContact C-N 3.31Å; R92-K94 PolarHBondContact O-N 2.93Å; K94-L96 PolarHBondContact O-N 3.09Å | ||
| 95 | I | 93.3 | Very high | 93.1 | Very high | 110 Ų | 110 | 93.1 Ų | 93.1 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | trans | -76.4 | 127.9 | 178.8 | -58.1 | 174.8 | 0 | 0 | 0 | 109.1 | Y97 | I95-Y97 HydrophobicContact CG2-CD2 4.45Å; I95-Y97 HydrophobicContact CG2-CE1 4.06Å; I95-Y97 HydrophobicContact CG2-CE2 3.88Å | ||
| 96 | L | 94.8 | Very high | 92.9 | Very high | 73 Ų | 73 | 96 Ų | 96 | 38% | 0.382 | 51% | 0.509 | S | S | . | . | trans | -114.9 | 126.3 | 177.2 | -175.8 | 64.7 | 0 | 0 | 0 | 109.5 | L89 K94 Y99 | L89-L96 HydrophobicContact CD1-CB 4.02Å; L89-L96 HydrophobicContact CD1-CD2 3.73Å; K94-L96 PolarHBondContact O-N 3.09Å; L96-Y99 HydrophobicContact CD1-CD2 4.37Å; L96-Y99 HydrophobicContact CD1-CE2 4.07Å; L96-Y99 HydrophobicContact CD2-CD2 3.58Å; L96-Y99 HydrophobicContact CD2-CE2 3.64Å; L96-Y99 HydrophobicContact CD2-CG 4.39Å; L96-Y99 HydrophobicContact CG-CD2 3.66Å; L96-Y99 HydrophobicContact CG-CE2 3.82Å | ||
| 97 | Y | 94.3 | Very high | 92.6 | Very high | 184 Ų | 184 | 100.8 Ų | 100.8 | 72% | 0.722 | 53% | 0.532 | S | S | * | . | trans | -101 | 157.9 | 178.5 | -60.6 | -80.9 | 0 | 0 | 0 | 111.4 | I95 Y99 | I95-Y97 HydrophobicContact CG2-CD2 4.45Å; I95-Y97 HydrophobicContact CG2-CE1 4.06Å; I95-Y97 HydrophobicContact CG2-CE2 3.88Å; Y97-Y99 WeakPolarHBondContact O-CD2 3.21Å | ||
| 98 | G | 94.1 | Very high | 92.3 | Very high | 83 Ų | 83 | 104 Ų | 104 | 86% | 0.856 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 87.8 | 10.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 99 | Y | 88 | Confident | 92 | Very high | 149 Ų | 149 | 112.7 Ų | 112.7 | 58% | 0.584 | 60% | 0.595 | S | S | * | * | trans | -124.8 | 113.3 | 176.1 | -62.6 | -90.9 | 0 | 0 | 0 | 108.7 | L96 Y97 | L96-Y99 HydrophobicContact CD1-CD2 4.37Å; L96-Y99 HydrophobicContact CD1-CE2 4.07Å; L96-Y99 HydrophobicContact CD2-CD2 3.58Å; L96-Y99 HydrophobicContact CD2-CE2 3.64Å; L96-Y99 HydrophobicContact CD2-CG 4.39Å; L96-Y99 HydrophobicContact CG-CD2 3.66Å; L96-Y99 HydrophobicContact CG-CE2 3.82Å; Y97-Y99 WeakPolarHBondContact O-CD2 3.21Å | ||
| 100 | A | 67.8 | Low | 91.5 | Very high | 135 Ų | 135 | 121.3 Ų | 121.3 | 100% | 1.116 | 64% | 0.64 | S | S | * | * | trans | -115.8 | 0 | 172 | 0 | 0 | 0 | 0 | 0 | 109 | V83 | V83-A100 WeakPolarHBondContact CG2-OXT 3.29Š|
Retrieved 100 of 100 residues in 183.4 ms
(Link to these results)