| 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 | 37.1 | Very low | 43.6 | Very low | 243 Ų | 243 | 149.5 Ų | 149.5 | 100% | 1.197 | 82% | 0.817 | S | S | * | * | 0 | 127.1 | 0 | -79.2 | 167.5 | 177.7 | 0 | 0 | 107.5 | |||||
| 2 | V | 43.8 | Very low | 43.1 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | trans | -80.2 | 124.2 | -174.3 | 174.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | F | 44 | Very low | 43.5 | Very low | 214 Ų | 214 | 150.5 Ų | 150.5 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -147.6 | 110.4 | 151.4 | -79.1 | -83.7 | 0 | 0 | 0 | 103.7 | ||||
| 4 | G | 41.2 | Very low | 43.3 | Very low | 65 Ų | 65 | 151.1 Ų | 151.1 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | cis | 149 | 93.9 | 19.6 | 0 | 0 | 0 | 0 | 0 | 103.7 | K6 | G4-K6 PolarHBondContact O-N 2.73Š| ||
| 5 | Q | 48.7 | Very low | 43.5 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -61.8 | 128.1 | -179.6 | -173.4 | 151.1 | 31.2 | 0 | 0 | 110.6 | ||||
| 6 | K | 49.9 | Very low | 43.8 | Very low | 189 Ų | 189 | 151.6 Ų | 151.6 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -143.9 | 73.8 | 157.8 | -155.7 | 171.5 | -175.7 | 178.6 | 0 | 110.5 | G4 V8 | G4-K6 PolarHBondContact O-N 2.73Å; K6-V8 HydrophobicContact CG-CG2 4.21Å; K6-V8 PolarHBondContact O-N 3.47Å | ||
| 7 | T | 44.7 | Very low | 44.4 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | trans | -65.3 | 114.2 | 155.5 | 45.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 8 | V | 46.1 | Very low | 45 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 72% | 0.715 | 81% | 0.814 | S | S | * | * | trans | -100.4 | 100.5 | 162.3 | 177.5 | 0 | 0 | 0 | 0 | 106 | K6 | K6-V8 HydrophobicContact CG-CG2 4.21Å; K6-V8 PolarHBondContact O-N 3.47Å | ||
| 9 | V | 44.8 | Very low | 45.9 | Very low | 140 Ų | 140 | 155.9 Ų | 155.9 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -94.9 | 113.6 | 164.4 | 176.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 10 | K | 42.9 | Very low | 47.2 | Very low | 197 Ų | 197 | 156.8 Ų | 156.8 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -149.9 | 114.6 | 165.7 | -178.2 | -171.1 | -179.7 | -167.5 | 0 | 102.4 | ||||
| 11 | G | 36.6 | Very low | 48.5 | Very low | 65 Ų | 65 | 158.1 Ų | 158.1 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | cis | 143.3 | 110.8 | 21.6 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 12 | E | 37.4 | Very low | 50.8 | Low | 195 Ų | 195 | 150.5 Ų | 150.5 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | 76 | 150.3 | 175.9 | -78.5 | 175.8 | 109.8 | 0 | 0 | 120.1 | ||||
| 13 | P | 48.2 | Very low | 53 | Low | 117 Ų | 117 | 147.9 Ų | 147.9 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -93.1 | 108.7 | -157.3 | 34.9 | -26.2 | 0 | 0 | 0 | 110.2 | ||||
| 14 | E | 41.6 | Very low | 55.3 | Low | 158 Ų | 158 | 140 Ų | 140 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | trans | -96.6 | 103.3 | 157.8 | -64.8 | -175.6 | 150.3 | 0 | 0 | 105.1 | E16 | E14-E16 HydrophobicContact CB-CG 4.1Å; E14-E16 PolarHBondContact O-N 3.33Å | ||
| 15 | D | 46.2 | Very low | 57.7 | Low | 168 Ų | 168 | 138.6 Ų | 138.6 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | trans | -63.9 | 61.3 | 157.7 | -113 | -42.5 | 0 | 0 | 0 | 107 | E17 | D15-E17 PolarHBondContact O-N 3.44Š| ||
| 16 | E | 47.4 | Very low | 59.8 | Low | 142 Ų | 142 | 134.3 Ų | 134.3 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | trans | -74.6 | 105.9 | 158.3 | -75.1 | -174.3 | 164.2 | 0 | 0 | 103.8 | E14 E18 | E14-E16 HydrophobicContact CB-CG 4.1Å; E14-E16 PolarHBondContact O-N 3.33Å; E16-E18 PolarHBondContact O-N 3.45Å | ||
| 17 | E | 54.2 | Low | 61.9 | Low | 174 Ų | 174 | 127.4 Ų | 127.4 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | trans | -48.6 | 98.7 | 158.6 | -64.9 | 178.5 | 160.4 | 0 | 0 | 105.8 | D15 E19 | D15-E17 PolarHBondContact O-N 3.44Å; E17-E19 PolarHBondContact O-N 3.11Å | ||
| 18 | E | 55.1 | Low | 64.3 | Low | 187 Ų | 187 | 123.2 Ų | 123.2 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | trans | -60.6 | 89.1 | 170.3 | -78.1 | -175.9 | 159 | 0 | 0 | 105.2 | E16 E20 | E16-E18 PolarHBondContact O-N 3.45Å; E18-E20 PolarHBondContact O-N 3.47Å | ||
| 19 | E | 62.2 | Low | 66.6 | Low | 176 Ų | 176 | 120.7 Ų | 120.7 | 82% | 0.822 | 62% | 0.619 | S | S | * | * | trans | -55.2 | 110.1 | 168.6 | -74.9 | -169.7 | 157.2 | 0 | 0 | 105.6 | E17 M21 | E17-E19 PolarHBondContact O-N 3.11Å; E19-M21 VanDerWaalsContact C-N 3.3Å; E19-M21 PolarHBondContact O-N 3.38Å | ||
| 20 | E | 72.9 | Confident | 69 | Low | 174 Ų | 174 | 119.6 Ų | 119.6 | 81% | 0.813 | 61% | 0.605 | S | S | * | * | trans | -59.3 | 96.1 | -179.5 | -170 | -177 | 168.4 | 0 | 0 | 108 | E18 V22 | E18-E20 PolarHBondContact O-N 3.47Å; E20-V22 VanDerWaalsContact C-N 3.33Å; E20-V22 PolarHBondContact O-N 2.83Å | ||
| 21 | M | 74.4 | Confident | 71.4 | Confident | 184 Ų | 184 | 116 Ų | 116 | 91% | 0.906 | 59% | 0.589 | S | S | * | * | trans | -69.2 | 94.7 | 177.8 | -176.6 | -176.5 | -67.2 | 0 | 0 | 107.8 | E19 D23 | E19-M21 VanDerWaalsContact C-N 3.3Å; E19-M21 PolarHBondContact O-N 3.38Å; M21-D23 PolarHBondContact O-N 3.45Å | ||
| 22 | V | 85.4 | Confident | 74.2 | Confident | 84 Ų | 84 | 112.9 Ų | 112.9 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | trans | -70.6 | 124 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | E20 P24 T27 | E20-V22 VanDerWaalsContact C-N 3.33Å; E20-V22 PolarHBondContact O-N 2.83Å; V22-P24 VanDerWaalsContact O-CD 3.24Å; V22-P24 WeakPolarHBondContact O-CD 3.45Å; V22-T27 WeakPolarHBondContact CG1-OG1 3.48Å | ||
| 23 | D | 89.1 | Confident | 77 | Confident | 78 Ų | 78 | 106 Ų | 106 | 42% | 0.417 | 53% | 0.525 | S | S | . | . | trans | -62.5 | 117.6 | 172.8 | -175.9 | -4.8 | 0 | 0 | 0 | 110 | M21 L25 E26 T27 | M21-D23 PolarHBondContact O-N 3.45Å; D23-L25 PolarHBondContact O-N 2.94Å; D23-L25 VanDerWaalsContact O-N 3.14Å; D23-L25 WeakPolarHBondContact OD1-CB 3.4Å; D23-L25 PolarHBondContact OD1-N 3.11Å; D23-E26 HydrophobicContact CB-CB 4.4Å; D23-E26 HydrophobicContact CB-CG 4.19Å; D23-E26 PolarHBondContact O-N 3.48Å; D23-E26 VanDerWaalsContact O-N 3.15Å; D23-T27 PolarHBondContact O-N 2.8Å | ||
| 24 | P | 91.6 | Very high | 79.2 | Confident | 47 Ų | 47 | 107.8 Ų | 107.8 | 31% | 0.305 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.4 | -27.9 | 176.3 | -23.5 | 34.1 | 0 | 0 | 0 | 113 | V22 L28 | V22-P24 VanDerWaalsContact O-CD 3.24Å; V22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-L28 WeakPolarHBondContact O-CB 3.34Å; P24-L28 VanDerWaalsContact O-CG 3.23Å; P24-L28 WeakPolarHBondContact O-CG 3.37Å; P24-L28 PolarHBondContact O-N 2.82Å |
| 25 | L | 92.9 | Very high | 81.8 | Confident | 37 Ų | 37 | 102.7 Ų | 102.7 | 19% | 0.194 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 177 | 179.4 | 59.5 | 0 | 0 | 0 | 111.7 | D23 L28 R29 V77 L81 | D23-L25 PolarHBondContact O-N 2.94Å; D23-L25 VanDerWaalsContact O-N 3.14Å; D23-L25 WeakPolarHBondContact OD1-CB 3.4Å; D23-L25 PolarHBondContact OD1-N 3.11Å; L25-L28 PolarHBondContact O-N 3.32Å; L25-R29 HydrophobicContact CD1-CG 4.33Å; L25-R29 WeakPolarHBondContact O-CG 3.41Å; L25-R29 PolarHBondContact O-N 3.49Å; L25-V77 HydrophobicContact CD1-CG1 3.74Å; L25-L81 HydrophobicContact CB-CD1 3.98Å; L25-L81 HydrophobicContact CD1-CD1 3.86Å; L25-L81 HydrophobicContact CD1-CD2 3.88Å; L25-L81 HydrophobicContact CD1-CG 4.48Å |
| 26 | E | 92.4 | Very high | 84.1 | Confident | 84 Ų | 84 | 104.1 Ų | 104.1 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | -179.1 | -71.9 | -57 | 123.5 | 0 | 0 | 111.4 | D23 L28 R29 Q30 | D23-E26 HydrophobicContact CB-CB 4.4Å; D23-E26 HydrophobicContact CB-CG 4.19Å; D23-E26 PolarHBondContact O-N 3.48Å; D23-E26 VanDerWaalsContact O-N 3.15Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.02Å; E26-R29 PolarHBondContact O-N 3.04Å; E26-R29 IonicContact OE1-CZ 3.81Å; E26-R29 IonicContact OE1-NH1 2.69Å; E26-R29 PolarHBondContact OE1-NH1 2.72Å; E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 3.2Å; E26-Q30 VanDerWaalsContact O-N 3.07Å |
| 27 | T | 93.1 | Very high | 86.3 | Confident | 45 Ų | 45 | 103.1 Ų | 103.1 | 28% | 0.276 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 174.7 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | V22 D23 K31 | V22-T27 WeakPolarHBondContact CG1-OG1 3.48Å; D23-T27 PolarHBondContact O-N 2.8Å; T27-K31 HydrophobicContact CG2-CD 4.38Å; T27-K31 WeakPolarHBondContact O-CG 3.28Å; T27-K31 PolarHBondContact O-N 3.33Å |
| 28 | L | 95.1 | Very high | 88.4 | Confident | 17 Ų | 17 | 94.9 Ų | 94.9 | 9% | 0.089 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -74.3 | -36.6 | 179.4 | -74.6 | 173.1 | 0 | 0 | 0 | 112.6 | P24 L25 E26 K31 C32 K80 L81 | P24-L28 WeakPolarHBondContact O-CB 3.34Å; P24-L28 VanDerWaalsContact O-CG 3.23Å; P24-L28 WeakPolarHBondContact O-CG 3.37Å; P24-L28 PolarHBondContact O-N 2.82Å; L25-L28 PolarHBondContact O-N 3.32Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.02Å; L28-K31 PolarHBondContact O-N 2.99Å; L28-C32 VanDerWaalsContact O-CB 3.31Å; L28-C32 WeakPolarHBondContact O-CB 3.35Å; L28-C32 PolarHBondContact O-N 3.37Å; L28-C32 PolarHBondContact O-SG 2.9Å; L28-K80 HydrophobicContact CD1-CB 4.02Å; L28-K80 HydrophobicContact CD2-CB 3.75Å; L28-K80 HydrophobicContact CD2-CD 3.91Å; L28-K80 HydrophobicContact CD2-CG 4.48Å; L28-L81 HydrophobicContact CD1-CB 4.2Å; L28-L81 HydrophobicContact CD1-CD1 4.04Å |
| 29 | R | 95.5 | Very high | 90.4 | Very high | 65 Ų | 65 | 87.8 Ų | 87.8 | 25% | 0.245 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 174 | -77.8 | 175.6 | 168.6 | 160.3 | -2.2 | 110.6 | L25 E26 K31 C32 E33 V77 | L25-R29 HydrophobicContact CD1-CG 4.33Å; L25-R29 WeakPolarHBondContact O-CG 3.41Å; L25-R29 PolarHBondContact O-N 3.49Å; E26-R29 PolarHBondContact O-N 3.04Å; E26-R29 IonicContact OE1-CZ 3.81Å; E26-R29 IonicContact OE1-NH1 2.69Å; E26-R29 PolarHBondContact OE1-NH1 2.72Å; R29-K31 VanDerWaalsContact C-N 3.34Å; R29-K31 PolarHBondContact O-N 3.32Å; R29-C32 PolarHBondContact O-N 3.44Å; R29-E33 VanDerWaalsContact O-CG 3.29Å; R29-E33 WeakPolarHBondContact O-CG 3.42Å; R29-E33 PolarHBondContact O-N 3.31Å; R29-V77 HydrophobicContact CG-CG2 4.18Å |
| 30 | Q | 94.1 | Very high | 92.1 | Very high | 118 Ų | 118 | 84.2 Ų | 84.2 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -54.4 | -48.4 | 176.9 | -69.6 | 174.5 | 0.2 | 0 | 0 | 112 | E26 C32 E33 | E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 3.2Å; E26-Q30 VanDerWaalsContact O-N 3.07Å; Q30-C32 VanDerWaalsContact C-N 3.33Å; Q30-C32 PolarHBondContact O-N 3.32Å; Q30-E33 PolarHBondContact O-N 2.8Å |
| 31 | K | 94.8 | Very high | 93.3 | Very high | 120 Ų | 120 | 76.4 Ų | 76.4 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.4 | -34 | 177.5 | -71.1 | 173.4 | -177.4 | 173.6 | 0 | 113.5 | T27 L28 R29 | T27-K31 HydrophobicContact CG2-CD 4.38Å; T27-K31 WeakPolarHBondContact O-CG 3.28Å; T27-K31 PolarHBondContact O-N 3.33Å; L28-K31 PolarHBondContact O-N 2.99Å; R29-K31 VanDerWaalsContact C-N 3.34Å; R29-K31 PolarHBondContact O-N 3.32Å |
| 32 | C | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -78.5 | -29.1 | 180 | -79.5 | 0 | 0 | 0 | 0 | 112.4 | L28 R29 Q30 E34 T35 C38 R73 C76 V77 | L28-C32 VanDerWaalsContact O-CB 3.31Å; L28-C32 WeakPolarHBondContact O-CB 3.35Å; L28-C32 PolarHBondContact O-N 3.37Å; L28-C32 PolarHBondContact O-SG 2.9Å; R29-C32 PolarHBondContact O-N 3.44Å; Q30-C32 VanDerWaalsContact C-N 3.33Å; Q30-C32 PolarHBondContact O-N 3.32Å; C32-E34 VanDerWaalsContact C-N 3.25Å; C32-E34 PolarHBondContact O-N 2.97Å; C32-T35 WeakPolarHBondContact O-CB 3.46Å; C32-T35 WeakPolarHBondContact O-CG2 3.41Å; C32-T35 PolarHBondContact O-N 3.05Å; C32-T35 PolarHBondContact O-OG1 2.84Å; C32-C38 WeakPolarHBondContact O-CB 3.42Å; C32-C38 PolarHBondContact O-SG 2.91Å; C32-R73 HydrophobicContact CB-CG 4.36Å; C32-C76 VanDerWaalsContact CA-SG 3.57Å; C32-C76 HydrophobicContact CB-CB 3.63Å; C32-C76 WeakPolarHBondContact CB-SG 3.22Å; C32-C76 WeakPolarHBondContact SG-CB 3.47Å; C32-C76 CovalentContact SG-SG 2.05Å; C32-C76 PolarHBondContact SG-SG 3.11Å; C32-V77 HydrophobicContact CB-CG2 4.01Å |
| 33 | E | 94.8 | Very high | 95 | Very high | 51 Ų | 51 | 72.1 Ų | 72.1 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.5 | -27 | 175.9 | -75.2 | 174.5 | -161.6 | 0 | 0 | 113.2 | R29 Q30 T35 V39 F69 R73 | R29-E33 VanDerWaalsContact O-CG 3.29Å; R29-E33 WeakPolarHBondContact O-CG 3.42Å; R29-E33 PolarHBondContact O-N 3.31Å; Q30-E33 PolarHBondContact O-N 2.8Å; E33-T35 PolarHBondContact O-N 2.75Å; E33-V39 VanDerWaalsContact O-CG2 3.3Å; E33-V39 WeakPolarHBondContact O-CG2 3.04Å; E33-F69 HydrophobicContact CG-CE2 4.12Å; E33-F69 HydrophobicContact CG-CZ 3.79Å; E33-R73 HydrophobicContact CG-CG 4.25Å |
| 34 | E | 95.3 | Very high | 95.4 | Very high | 155 Ų | 155 | 73.9 Ų | 73.9 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -10.1 | 175.2 | -65.5 | 176.5 | -178.2 | 0 | 0 | 113.8 | C32 | C32-E34 VanDerWaalsContact C-N 3.25Å; C32-E34 PolarHBondContact O-N 2.97Å |
| 35 | T | 95.1 | Very high | 95.7 | Very high | 51 Ų | 51 | 72.5 Ų | 72.5 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -69.5 | 143.3 | 178.3 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | C32 E33 H37 C38 V39 | C32-T35 WeakPolarHBondContact O-CB 3.46Å; C32-T35 WeakPolarHBondContact O-CG2 3.41Å; C32-T35 PolarHBondContact O-N 3.05Å; C32-T35 PolarHBondContact O-OG1 2.84Å; E33-T35 PolarHBondContact O-N 2.75Å; T35-H37 PolarHBondContact O-N 3.44Å; T35-H37 VanDerWaalsContact O-N 3.07Å; T35-C38 PolarHBondContact O-N 2.69Å; T35-C38 WeakPolarHBondContact OG1-CB 3.43Å; T35-C38 PolarHBondContact OG1-SG 2.72Å; T35-V39 WeakPolarHBondContact O-CG2 2.99Å; T35-V39 PolarHBondContact O-N 2.74Å |
| 36 | K | 95.2 | Very high | 96 | Very high | 197 Ų | 197 | 75 Ų | 75 | 86% | 0.857 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -50.7 | -40.6 | -175.9 | -67.3 | -176 | 178.8 | -177.9 | 0 | 113.9 | H40 | K36-H40 WeakPolarHBondContact O-CB 3.49Å; K36-H40 PolarHBondContact O-N 3.48Å; K36-H40 VanDerWaalsContact O-N 3.1Å |
| 37 | H | 94.4 | Very high | 96.3 | Very high | 121 Ų | 121 | 76.6 Ų | 76.6 | 56% | 0.56 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -69.4 | -42.1 | 179.9 | -169.6 | -70.2 | 0 | 0 | 0 | 111.8 | T35 H40 T41 A72 | T35-H37 PolarHBondContact O-N 3.44Å; T35-H37 VanDerWaalsContact O-N 3.07Å; H37-H40 PolarHBondContact O-N 3.35Å; H37-T41 PolarHBondContact O-N 3.43Å; H37-T41 PolarHBondContact O-OG1 3.33Å; H37-T41 VanDerWaalsContact O-OG1 3.1Å; H37-A72 WeakPolarHBondContact ND1-CB 3.23Å |
| 38 | C | 96.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 177.4 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | C32 T35 H40 T41 R42 F69 R73 | C32-C38 WeakPolarHBondContact O-CB 3.42Å; C32-C38 PolarHBondContact O-SG 2.91Å; T35-C38 PolarHBondContact O-N 2.69Å; T35-C38 WeakPolarHBondContact OG1-CB 3.43Å; T35-C38 PolarHBondContact OG1-SG 2.72Å; C38-H40 VanDerWaalsContact C-N 3.33Å; C38-H40 PolarHBondContact O-N 2.92Å; C38-T41 PolarHBondContact O-N 3.45Å; C38-T41 PolarHBondContact O-OG1 2.04Å; C38-R42 WeakPolarHBondContact O-CB 3.44Å; C38-R42 PolarHBondContact O-N 3.39Å; C38-F69 HydrophobicContact CB-CE2 4.44Å; C38-R73 PolarHBondContact SG-N 2.75Å |
| 39 | V | 97.6 | Very high | 96.6 | Very high | 38 Ų | 38 | 78.9 Ų | 78.9 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 174 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | E33 T35 R42 E43 | E33-V39 VanDerWaalsContact O-CG2 3.3Å; E33-V39 WeakPolarHBondContact O-CG2 3.04Å; T35-V39 WeakPolarHBondContact O-CG2 2.99Å; T35-V39 PolarHBondContact O-N 2.74Å; V39-R42 PolarHBondContact O-N 3.1Å; V39-E43 WeakPolarHBondContact O-CG 3.29Å; V39-E43 PolarHBondContact O-N 3.41Å |
| 40 | H | 97.9 | Very high | 96.7 | Very high | 102 Ų | 102 | 80.7 Ų | 80.7 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | -179.9 | -176.3 | 59.1 | 0 | 0 | 0 | 113.1 | K36 H37 C38 R42 E43 R44 | K36-H40 WeakPolarHBondContact O-CB 3.49Å; K36-H40 PolarHBondContact O-N 3.48Å; K36-H40 VanDerWaalsContact O-N 3.1Å; H37-H40 PolarHBondContact O-N 3.35Å; C38-H40 VanDerWaalsContact C-N 3.33Å; C38-H40 PolarHBondContact O-N 2.92Å; H40-R42 VanDerWaalsContact C-N 3.34Å; H40-E43 PolarHBondContact O-N 2.91Å; H40-R44 WeakPolarHBondContact O-CG 3.4Å; H40-R44 PolarHBondContact O-N 3.18Å |
| 41 | T | 97.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 79.3 Ų | 79.3 | 6% | 0.055 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.3 | -33.6 | 177.7 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | H37 C38 R44 L45 D68 | H37-T41 PolarHBondContact O-N 3.43Å; H37-T41 PolarHBondContact O-OG1 3.33Å; H37-T41 VanDerWaalsContact O-OG1 3.1Å; C38-T41 PolarHBondContact O-N 3.45Å; C38-T41 PolarHBondContact O-OG1 2.04Å; T41-R44 PolarHBondContact O-N 3.35Å; T41-L45 PolarHBondContact O-N 3.37Å; T41-D68 HydrophobicContact CG2-CB 4.22Å |
| 42 | R | 97.9 | Very high | 96.9 | Very high | 85 Ų | 85 | 75.2 Ų | 75.2 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 172 | -168.9 | -175.4 | 69.9 | -160.6 | -5.4 | 112 | C38 V39 H40 R44 L45 E46 F69 | C38-R42 WeakPolarHBondContact O-CB 3.44Å; C38-R42 PolarHBondContact O-N 3.39Å; V39-R42 PolarHBondContact O-N 3.1Å; H40-R42 VanDerWaalsContact C-N 3.34Å; R42-R44 VanDerWaalsContact C-N 3.26Å; R42-R44 PolarHBondContact O-N 3.28Å; R42-L45 WeakPolarHBondContact O-CB 3.3Å; R42-L45 PolarHBondContact O-N 3.39Å; R42-L45 VanDerWaalsContact O-N 3.11Å; R42-E46 WeakPolarHBondContact CG-OE1 3.47Å; R42-E46 IonicContact NE-OE1 2.75Å; R42-E46 PolarHBondContact NE-OE1 3.06Å; R42-E46 WeakPolarHBondContact O-CG 3.4Å; R42-E46 PolarHBondContact O-N 3.18Å; R42-F69 HydrophobicContact CB-CD2 3.85Å; R42-F69 HydrophobicContact CB-CE2 3.85Å; R42-F69 HydrophobicContact CG-CD2 4.49Å; R42-F69 HydrophobicContact CG-CE2 4.22Å |
| 43 | E | 98.1 | Very high | 96.9 | Very high | 94 Ų | 94 | 78.4 Ų | 78.4 | 44% | 0.439 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.3 | -40.5 | 175.6 | -75.2 | 171 | 179.6 | 0 | 0 | 111.6 | V39 H40 E46 L47 | V39-E43 WeakPolarHBondContact O-CG 3.29Å; V39-E43 PolarHBondContact O-N 3.41Å; H40-E43 PolarHBondContact O-N 2.91Å; E43-E46 PolarHBondContact O-N 3.46Å; E43-L47 WeakPolarHBondContact O-CB 3.46Å; E43-L47 WeakPolarHBondContact O-CG 3.24Å; E43-L47 PolarHBondContact O-N 3.36Å |
| 44 | R | 97.9 | Very high | 96.9 | Very high | 115 Ų | 115 | 80.6 Ų | 80.6 | 43% | 0.434 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.7 | -70.3 | 177.8 | 62.1 | 127.8 | -0.6 | 112.4 | H40 T41 R42 L47 C48 E65 | H40-R44 WeakPolarHBondContact O-CG 3.4Å; H40-R44 PolarHBondContact O-N 3.18Å; T41-R44 PolarHBondContact O-N 3.35Å; R42-R44 VanDerWaalsContact C-N 3.26Å; R42-R44 PolarHBondContact O-N 3.28Å; R44-L47 PolarHBondContact O-N 3.07Å; R44-C48 PolarHBondContact O-N 3.32Å; R44-E65 HydrophobicContact CB-CG 4.38Å |
| 45 | L | 98.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 78.9 Ų | 78.9 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 174.9 | 177.1 | 60.2 | 0 | 0 | 0 | 110.9 | T41 R42 L47 C48 E49 C62 E65 L66 F69 | T41-L45 PolarHBondContact O-N 3.37Å; R42-L45 WeakPolarHBondContact O-CB 3.3Å; R42-L45 PolarHBondContact O-N 3.39Å; R42-L45 VanDerWaalsContact O-N 3.11Å; L45-L47 VanDerWaalsContact C-N 3.29Å; L45-L47 PolarHBondContact O-N 3.28Å; L45-C48 WeakPolarHBondContact O-CA 3.36Å; L45-C48 WeakPolarHBondContact O-CB 3.2Å; L45-C48 PolarHBondContact O-N 3.29Å; L45-E49 HydrophobicContact CD1-CG 4.27Å; L45-E49 WeakPolarHBondContact O-CG 3.39Å; L45-E49 PolarHBondContact O-N 2.88Å; L45-C62 HydrophobicContact CD1-CB 3.93Å; L45-E65 HydrophobicContact CB-CB 4.06Å; L45-E65 HydrophobicContact CD1-CB 3.99Å; L45-L66 HydrophobicContact CD1-CB 4.22Å; L45-L66 HydrophobicContact CD2-CD1 4.14Å; L45-F69 HydrophobicContact CD2-CD1 4.46Å |
| 46 | E | 98.2 | Very high | 96.6 | Very high | 91 Ų | 91 | 82.9 Ų | 82.9 | 43% | 0.425 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 177.7 | -69.9 | 171 | -162.8 | 0 | 0 | 112.3 | R42 E43 E49 T50 | R42-E46 WeakPolarHBondContact CG-OE1 3.47Å; R42-E46 IonicContact NE-OE1 2.75Å; R42-E46 PolarHBondContact NE-OE1 3.06Å; R42-E46 WeakPolarHBondContact O-CG 3.4Å; R42-E46 PolarHBondContact O-N 3.18Å; E43-E46 PolarHBondContact O-N 3.46Å; E46-E49 PolarHBondContact O-N 3.03Å; E46-T50 WeakPolarHBondContact O-CB 3.41Å; E46-T50 PolarHBondContact O-N 3.34Å; E46-T50 PolarHBondContact O-OG1 3.48Å |
| 47 | L | 98.2 | Very high | 96.4 | Very high | 116 Ų | 116 | 82.4 Ų | 82.4 | 61% | 0.607 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.7 | -39.2 | 174.2 | -73 | 171.4 | 0 | 0 | 0 | 112.3 | E43 R44 L45 R51 | E43-L47 WeakPolarHBondContact O-CB 3.46Å; E43-L47 WeakPolarHBondContact O-CG 3.24Å; E43-L47 PolarHBondContact O-N 3.36Å; R44-L47 PolarHBondContact O-N 3.07Å; L45-L47 VanDerWaalsContact C-N 3.29Å; L45-L47 PolarHBondContact O-N 3.28Å; L47-R51 WeakPolarHBondContact O-CB 3.47Å; L47-R51 PolarHBondContact O-N 3.49Å; L47-R51 VanDerWaalsContact O-N 3.11Å |
| 48 | C | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.4 | -48 | 173.4 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | R44 L45 T50 R51 V52 C62 E65 | R44-C48 PolarHBondContact O-N 3.32Å; L45-C48 WeakPolarHBondContact O-CA 3.36Å; L45-C48 WeakPolarHBondContact O-CB 3.2Å; L45-C48 PolarHBondContact O-N 3.29Å; C48-T50 VanDerWaalsContact C-N 3.29Å; C48-T50 PolarHBondContact O-N 3.01Å; C48-R51 CarbonylContact O-C 3.6Å; C48-R51 WeakPolarHBondContact O-CA 3.32Å; C48-R51 WeakPolarHBondContact O-CB 3.39Å; C48-R51 PolarHBondContact O-N 2.88Å; C48-R51 PolarHBondContact SG-NH2 3.14Å; C48-R51 VanDerWaalsContact SG-NH2 3.44Å; C48-V52 WeakPolarHBondContact O-CG2 3.37Å; C48-V52 PolarHBondContact O-N 3.46Å; C48-C62 HydrophobicContact CB-CB 3.79Å; C48-C62 WeakPolarHBondContact CB-SG 3.05Å; C48-C62 PolarHBondContact O-SG 3.49Å; C48-C62 WeakPolarHBondContact SG-CA 3.2Å; C48-C62 WeakPolarHBondContact SG-CB 3.05Å; C48-C62 CovalentContact SG-SG 2.04Å; C48-C62 PolarHBondContact SG-SG 3.04Å; C48-E65 HydrophobicContact CB-CG 4.2Å |
| 49 | E | 97.6 | Very high | 96.3 | Very high | 111 Ų | 111 | 88.6 Ų | 88.6 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 179.4 | -72.4 | -179.2 | 165.8 | 0 | 0 | 111.5 | L45 E46 R51 G53 C62 | L45-E49 HydrophobicContact CD1-CG 4.27Å; L45-E49 WeakPolarHBondContact O-CG 3.39Å; L45-E49 PolarHBondContact O-N 2.88Å; E46-E49 PolarHBondContact O-N 3.03Å; E49-R51 VanDerWaalsContact C-N 3.35Å; E49-R51 PolarHBondContact O-N 3.41Å; E49-G53 WeakPolarHBondContact O-CA 3.48Å; E49-G53 PolarHBondContact O-N 2.58Å; E49-C62 PolarHBondContact N-SG 2.9Å; E49-C62 VanDerWaalsContact N-SG 3.45Å |
| 50 | T | 97.6 | Very high | 96.2 | Very high | 102 Ų | 102 | 89.5 Ų | 89.5 | 63% | 0.626 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 174.7 | -59 | 0 | 0 | 0 | 0 | 111.4 | E46 C48 S54 | E46-T50 WeakPolarHBondContact O-CB 3.41Å; E46-T50 PolarHBondContact O-N 3.34Å; E46-T50 PolarHBondContact O-OG1 3.48Å; C48-T50 VanDerWaalsContact C-N 3.29Å; C48-T50 PolarHBondContact O-N 3.01Å; T50-S54 WeakPolarHBondContact O-CB 3.31Å; T50-S54 PolarHBondContact O-N 3.01Å; T50-S54 PolarHBondContact O-OG 3.07Å |
| 51 | R | 95.7 | Very high | 96.1 | Very high | 90 Ų | 90 | 89.2 Ų | 89.2 | 34% | 0.34 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.5 | -48.5 | 179.6 | -179.4 | 175 | 68.4 | -120.1 | 3.8 | 111.6 | L47 C48 E49 S54 E60 E65 | L47-R51 WeakPolarHBondContact O-CB 3.47Å; L47-R51 PolarHBondContact O-N 3.49Å; L47-R51 VanDerWaalsContact O-N 3.11Å; C48-R51 CarbonylContact O-C 3.6Å; C48-R51 WeakPolarHBondContact O-CA 3.32Å; C48-R51 WeakPolarHBondContact O-CB 3.39Å; C48-R51 PolarHBondContact O-N 2.88Å; C48-R51 PolarHBondContact SG-NH2 3.14Å; C48-R51 VanDerWaalsContact SG-NH2 3.44Å; E49-R51 VanDerWaalsContact C-N 3.35Å; E49-R51 PolarHBondContact O-N 3.41Å; R51-S54 PolarHBondContact O-N 3.01Å; R51-S54 PolarHBondContact O-OG 3.17Å; R51-E60 IonicContact CZ-OE1 3.33Å; R51-E60 IonicContact NE-OE1 3.92Å; R51-E60 PolarHBondContact NE-OE1 3.15Å; R51-E60 IonicContact NE-OE2 3.72Å; R51-E60 IonicContact NH2-OE1 3.14Å; R51-E60 PolarHBondContact NH2-OE1 2.75Å; R51-E65 IonicContact NH2-OE1 2.75Å |
| 52 | V | 97 | Very high | 96.1 | Very high | 34 Ų | 34 | 89.8 Ų | 89.8 | 21% | 0.206 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 178.8 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | C48 S54 R55 T58 E60 | C48-V52 WeakPolarHBondContact O-CG2 3.37Å; C48-V52 PolarHBondContact O-N 3.46Å; V52-S54 VanDerWaalsContact C-N 3.28Å; V52-S54 PolarHBondContact O-N 2.98Å; V52-R55 PolarHBondContact O-N 3.28Å; V52-R55 VanDerWaalsContact O-N 3.11Å; V52-T58 HydrophobicContact CG1-CG2 3.96Å; V52-E60 HydrophobicContact CG2-CB 4.23Å; V52-E60 HydrophobicContact CG2-CG 3.86Å |
| 53 | G | 95.4 | Very high | 96.1 | Very high | 67 Ų | 67 | 88.9 Ų | 88.9 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.4 | -28 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E49 R55 | E49-G53 WeakPolarHBondContact O-CA 3.48Å; E49-G53 PolarHBondContact O-N 2.58Å; G53-R55 VanDerWaalsContact C-N 3.28Å; G53-R55 PolarHBondContact O-N 2.96Å |
| 54 | S | 95.8 | Very high | 96.1 | Very high | 96 Ų | 96 | 90.6 Ų | 90.6 | 67% | 0.671 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14.6 | 174.8 | 75 | 0 | 0 | 0 | 0 | 114.3 | T50 R51 V52 | T50-S54 WeakPolarHBondContact O-CB 3.31Å; T50-S54 PolarHBondContact O-N 3.01Å; T50-S54 PolarHBondContact O-OG 3.07Å; R51-S54 PolarHBondContact O-N 3.01Å; R51-S54 PolarHBondContact O-OG 3.17Å; V52-S54 VanDerWaalsContact C-N 3.28Å; V52-S54 PolarHBondContact O-N 2.98Å |
| 55 | R | 94 | Very high | 96.1 | Very high | 120 Ų | 120 | 86.2 Ų | 86.2 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | trans | -96.6 | 128.4 | -176.8 | -68.8 | -179.4 | 178.6 | 177.3 | 8.7 | 110.2 | V52 G53 Q57 T58 E60 | V52-R55 PolarHBondContact O-N 3.28Å; V52-R55 VanDerWaalsContact O-N 3.11Å; G53-R55 VanDerWaalsContact C-N 3.28Å; G53-R55 PolarHBondContact O-N 2.96Å; R55-Q57 VanDerWaalsContact C-N 3.34Å; R55-T58 HydrophobicContact CB-CG2 3.95Å; R55-E60 IonicContact CZ-OE2 3.36Å; R55-E60 IonicContact NH1-OE2 2.72Å; R55-E60 PolarHBondContact NH1-OE2 2.05Å; R55-E60 IonicContact NH2-OE2 3.73Å | ||
| 56 | S | 89.5 | Confident | 96.1 | Very high | 134 Ų | 134 | 88.8 Ų | 88.8 | 94% | 0.937 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -72.5 | -27.2 | 178.1 | 54 | 0 | 0 | 0 | 0 | 113.5 | ||
| 57 | Q | 91.4 | Very high | 96.1 | Very high | 187 Ų | 187 | 90.9 Ų | 90.9 | 87% | 0.874 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -150.1 | 106.4 | 178.1 | -160 | 169.2 | 18.1 | 0 | 0 | 109.5 | R55 | R55-Q57 VanDerWaalsContact C-N 3.34Š|
| 58 | T | 93.7 | Very high | 96.1 | Very high | 49 Ų | 49 | 88.5 Ų | 88.5 | 30% | 0.301 | 47% | 0.473 | S | S | . | . | trans | -141.1 | 150.3 | 179.2 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | V52 R55 E60 | V52-T58 HydrophobicContact CG1-CG2 3.96Å; R55-T58 HydrophobicContact CB-CG2 3.95Å; T58-E60 HydrophobicContact CG2-CB 4.45Å; T58-E60 VanDerWaalsContact OG1-CB 3.28Å; T58-E60 WeakPolarHBondContact OG1-CB 3.35Å; T58-E60 PolarHBondContact OG1-N 3.42Å | ||
| 59 | Q | 94.6 | Very high | 96.1 | Very high | 203 Ų | 203 | 89.4 Ų | 89.4 | 95% | 0.949 | 48% | 0.477 | S | S | * | . | trans | -99.2 | -0.6 | 169.4 | -65.3 | -178.8 | 46.4 | 0 | 0 | 111.6 | ||||
| 60 | E | 95.6 | Very high | 96.1 | Very high | 57 Ų | 57 | 86.3 Ų | 86.3 | 27% | 0.266 | 46% | 0.464 | S | S | . | . | trans | -70.1 | 134.6 | 174.9 | -173.5 | -178.4 | 170.2 | 0 | 0 | 110.4 | R51 V52 R55 T58 | R51-E60 IonicContact CZ-OE1 3.33Å; R51-E60 IonicContact NE-OE1 3.92Å; R51-E60 PolarHBondContact NE-OE1 3.15Å; R51-E60 IonicContact NE-OE2 3.72Å; R51-E60 IonicContact NH2-OE1 3.14Å; R51-E60 PolarHBondContact NH2-OE1 2.75Å; V52-E60 HydrophobicContact CG2-CB 4.23Å; V52-E60 HydrophobicContact CG2-CG 3.86Å; R55-E60 IonicContact CZ-OE2 3.36Å; R55-E60 IonicContact NH1-OE2 2.72Å; R55-E60 PolarHBondContact NH1-OE2 2.05Å; R55-E60 IonicContact NH2-OE2 3.73Å; T58-E60 HydrophobicContact CG2-CB 4.45Å; T58-E60 VanDerWaalsContact OG1-CB 3.28Å; T58-E60 WeakPolarHBondContact OG1-CB 3.35Å; T58-E60 PolarHBondContact OG1-N 3.42Å | ||
| 61 | D | 96.4 | Very high | 96.1 | Very high | 97 Ų | 97 | 88 Ų | 88 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | trans | -123.8 | 165.9 | 169.3 | 68.7 | 52.9 | 0 | 0 | 0 | 110.2 | T63 | D61-T63 HydrophobicContact CB-CG2 4.39Å; D61-T63 VanDerWaalsContact OD1-CB 3.31Å; D61-T63 WeakPolarHBondContact OD1-CB 3.31Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.15Å; D61-T63 PolarHBondContact OD1-N 3.13Å; D61-T63 PolarHBondContact OD1-OG1 3.47Å | ||
| 62 | C | 98.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 84.2 Ų | 84.2 | 14% | 0.135 | 45% | 0.452 | C | S | . | . | trans | -104.1 | 27.5 | -179.5 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | L45 C48 E49 E64 E65 L66 | L45-C62 HydrophobicContact CD1-CB 3.93Å; C48-C62 HydrophobicContact CB-CB 3.79Å; C48-C62 WeakPolarHBondContact CB-SG 3.05Å; C48-C62 PolarHBondContact O-SG 3.49Å; C48-C62 WeakPolarHBondContact SG-CA 3.2Å; C48-C62 WeakPolarHBondContact SG-CB 3.05Å; C48-C62 CovalentContact SG-SG 2.04Å; C48-C62 PolarHBondContact SG-SG 3.04Å; E49-C62 PolarHBondContact N-SG 2.9Å; E49-C62 VanDerWaalsContact N-SG 3.45Å; C62-E64 VanDerWaalsContact C-N 3.31Å; C62-E64 PolarHBondContact O-N 2.72Å; C62-E65 WeakPolarHBondContact CA-OE2 3.45Å; C62-E65 PolarHBondContact O-N 3.1Å; C62-L66 WeakPolarHBondContact O-CB 3.23Å; C62-L66 PolarHBondContact O-N 2.85Å | ||
| 63 | T | 97.9 | Very high | 96.2 | Very high | 67 Ų | 67 | 83.9 Ų | 83.9 | 41% | 0.411 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.3 | -31.5 | -175.4 | 56 | 0 | 0 | 0 | 0 | 112.5 | D61 L66 F67 | D61-T63 HydrophobicContact CB-CG2 4.39Å; D61-T63 VanDerWaalsContact OD1-CB 3.31Å; D61-T63 WeakPolarHBondContact OD1-CB 3.31Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.15Å; D61-T63 PolarHBondContact OD1-N 3.13Å; D61-T63 PolarHBondContact OD1-OG1 3.47Å; T63-L66 PolarHBondContact O-N 3.36Å; T63-F67 WeakPolarHBondContact O-CD2 3.5Å; T63-F67 WeakPolarHBondContact O-CG 3.45Å; T63-F67 PolarHBondContact O-N 3.31Å |
| 64 | E | 97.8 | Very high | 96.2 | Very high | 129 Ų | 129 | 83.9 Ų | 83.9 | 60% | 0.603 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.5 | -55.4 | 173.7 | -176.1 | -179.7 | 158.1 | 0 | 0 | 110.9 | C62 L66 F67 D68 | C62-E64 VanDerWaalsContact C-N 3.31Å; C62-E64 PolarHBondContact O-N 2.72Å; E64-L66 PolarHBondContact O-N 2.97Å; E64-F67 PolarHBondContact O-N 2.89Å; E64-F67 VanDerWaalsContact O-N 3.1Å; E64-D68 PolarHBondContact O-N 3.45Å |
| 65 | E | 98.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 84.8 Ų | 84.8 | 11% | 0.112 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.1 | -33 | 179.6 | -65.4 | 87.9 | 164.5 | 0 | 0 | 112.3 | R44 L45 C48 R51 C62 D68 F69 | R44-E65 HydrophobicContact CB-CG 4.38Å; L45-E65 HydrophobicContact CB-CB 4.06Å; L45-E65 HydrophobicContact CD1-CB 3.99Å; C48-E65 HydrophobicContact CB-CG 4.2Å; R51-E65 IonicContact NH2-OE1 2.75Å; C62-E65 WeakPolarHBondContact CA-OE2 3.45Å; C62-E65 PolarHBondContact O-N 3.1Å; E65-D68 PolarHBondContact O-N 3.06Å; E65-F69 WeakPolarHBondContact O-CB 3.44Å; E65-F69 PolarHBondContact O-N 3.19Å |
| 66 | L | 98.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 80 Ų | 80 | 37% | 0.366 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 173.7 | 177.9 | 65.2 | 0 | 0 | 0 | 111.1 | L45 C62 T63 E64 D68 F69 L70 | L45-L66 HydrophobicContact CD1-CB 4.22Å; L45-L66 HydrophobicContact CD2-CD1 4.14Å; C62-L66 WeakPolarHBondContact O-CB 3.23Å; C62-L66 PolarHBondContact O-N 2.85Å; T63-L66 PolarHBondContact O-N 3.36Å; E64-L66 PolarHBondContact O-N 2.97Å; L66-D68 VanDerWaalsContact C-N 3.34Å; L66-D68 PolarHBondContact O-N 2.84Å; L66-F69 PolarHBondContact O-N 2.83Å; L66-L70 HydrophobicContact CD1-CD1 4.17Å; L66-L70 HydrophobicContact CD1-CG 4.21Å; L66-L70 HydrophobicContact CG-CD1 3.94Å; L66-L70 HydrophobicContact CG-CG 4.39Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 2.89Å |
| 67 | F | 98.3 | Very high | 96.7 | Very high | 135 Ų | 135 | 74 Ų | 74 | 59% | 0.592 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.5 | -35.6 | 178.4 | -71.4 | -40.1 | 0 | 0 | 0 | 112.5 | T63 E64 L70 H71 | T63-F67 WeakPolarHBondContact O-CD2 3.5Å; T63-F67 WeakPolarHBondContact O-CG 3.45Å; T63-F67 PolarHBondContact O-N 3.31Å; E64-F67 PolarHBondContact O-N 2.89Å; E64-F67 VanDerWaalsContact O-N 3.1Å; F67-L70 HydrophobicContact CD1-CD1 4.22Å; F67-L70 PolarHBondContact O-N 3.31Å; F67-H71 VanDerWaalsContact O-CB 3.23Å; F67-H71 WeakPolarHBondContact O-CB 3.37Å; F67-H71 PolarHBondContact O-N 3.5Å |
| 68 | D | 97.8 | Very high | 96.9 | Very high | 67 Ų | 67 | 67.9 Ų | 67.9 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 173 | -77.1 | -13.4 | 0 | 0 | 0 | 111.9 | T41 E64 E65 L66 A72 | T41-D68 HydrophobicContact CG2-CB 4.22Å; E64-D68 PolarHBondContact O-N 3.45Å; E65-D68 PolarHBondContact O-N 3.06Å; L66-D68 VanDerWaalsContact C-N 3.34Å; L66-D68 PolarHBondContact O-N 2.84Å; D68-A72 WeakPolarHBondContact O-CB 3.24Å; D68-A72 PolarHBondContact O-N 3.45Å; D68-A72 VanDerWaalsContact O-N 3.09Å |
| 69 | F | 98.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 71.3 Ų | 71.3 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 176.2 | 171.9 | -108.4 | 0 | 0 | 0 | 112.1 | E33 C38 R42 L45 E65 L66 H71 A72 R73 | E33-F69 HydrophobicContact CG-CE2 4.12Å; E33-F69 HydrophobicContact CG-CZ 3.79Å; C38-F69 HydrophobicContact CB-CE2 4.44Å; R42-F69 HydrophobicContact CB-CD2 3.85Å; R42-F69 HydrophobicContact CB-CE2 3.85Å; R42-F69 HydrophobicContact CG-CD2 4.49Å; R42-F69 HydrophobicContact CG-CE2 4.22Å; L45-F69 HydrophobicContact CD2-CD1 4.46Å; E65-F69 WeakPolarHBondContact O-CB 3.44Å; E65-F69 PolarHBondContact O-N 3.19Å; L66-F69 PolarHBondContact O-N 2.83Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 PolarHBondContact O-N 2.96Å; F69-A72 PolarHBondContact O-N 3.45Å; F69-R73 WeakPolarHBondContact O-CB 3.43Å; F69-R73 PolarHBondContact O-N 2.85Å |
| 70 | L | 97.8 | Very high | 96.8 | Very high | 46 Ų | 46 | 66 Ų | 66 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 177.7 | -70.9 | 173.8 | 0 | 0 | 0 | 111.4 | L66 F67 A72 R73 D74 | L66-L70 HydrophobicContact CD1-CD1 4.17Å; L66-L70 HydrophobicContact CD1-CG 4.21Å; L66-L70 HydrophobicContact CG-CD1 3.94Å; L66-L70 HydrophobicContact CG-CG 4.39Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 2.89Å; F67-L70 HydrophobicContact CD1-CD1 4.22Å; F67-L70 PolarHBondContact O-N 3.31Å; L70-A72 PolarHBondContact O-N 3.32Å; L70-R73 PolarHBondContact O-N 3.43Å; L70-D74 WeakPolarHBondContact O-CB 3.21Å; L70-D74 PolarHBondContact O-N 3.09Å |
| 71 | H | 97.5 | Very high | 96.7 | Very high | 138 Ų | 138 | 64.8 Ų | 64.8 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.2 | -47.3 | 177.6 | -177 | 73 | 0 | 0 | 0 | 111.7 | F67 F69 H75 | F67-H71 VanDerWaalsContact O-CB 3.23Å; F67-H71 WeakPolarHBondContact O-CB 3.37Å; F67-H71 PolarHBondContact O-N 3.5Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 PolarHBondContact O-N 2.96Å; H71-H75 VanDerWaalsContact O-CB 3.23Å; H71-H75 WeakPolarHBondContact O-CB 3.4Å; H71-H75 PolarHBondContact O-N 3.13Å |
| 72 | A | 96.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | H37 D68 F69 L70 C76 | H37-A72 WeakPolarHBondContact ND1-CB 3.23Å; D68-A72 WeakPolarHBondContact O-CB 3.24Å; D68-A72 PolarHBondContact O-N 3.45Å; D68-A72 VanDerWaalsContact O-N 3.09Å; F69-A72 PolarHBondContact O-N 3.45Å; L70-A72 PolarHBondContact O-N 3.32Å; A72-C76 PolarHBondContact O-N 3.1Å |
| 73 | R | 97.3 | Very high | 96.2 | Very high | 26 Ų | 26 | 74.1 Ų | 74.1 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.8 | -49.6 | -178.5 | -173.7 | -163.7 | 69.7 | -164.2 | -6.2 | 111 | C32 E33 C38 F69 L70 H75 C76 V77 | C32-R73 HydrophobicContact CB-CG 4.36Å; E33-R73 HydrophobicContact CG-CG 4.25Å; C38-R73 PolarHBondContact SG-N 2.75Å; F69-R73 WeakPolarHBondContact O-CB 3.43Å; F69-R73 PolarHBondContact O-N 2.85Å; L70-R73 PolarHBondContact O-N 3.43Å; R73-H75 VanDerWaalsContact C-N 3.31Å; R73-H75 PolarHBondContact O-N 3.35Å; R73-C76 WeakPolarHBondContact O-CB 3.45Å; R73-C76 PolarHBondContact O-N 2.88Å; R73-C76 VanDerWaalsContact O-N 3.09Å; R73-V77 HydrophobicContact CG-CG2 4.29Å; R73-V77 WeakPolarHBondContact O-CG2 3.25Å; R73-V77 PolarHBondContact O-N 3.15Å |
| 74 | D | 96.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 73.9 Ų | 73.9 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.9 | -28.5 | -173.7 | -64.6 | -15.5 | 0 | 0 | 0 | 111.5 | L70 C76 V77 S78 | L70-D74 WeakPolarHBondContact O-CB 3.21Å; L70-D74 PolarHBondContact O-N 3.09Å; D74-C76 VanDerWaalsContact C-N 3.34Å; D74-C76 PolarHBondContact O-N 2.9Å; D74-V77 PolarHBondContact O-N 3.36Å; D74-S78 VanDerWaalsContact O-CB 3.25Å; D74-S78 WeakPolarHBondContact O-CB 3.2Å; D74-S78 PolarHBondContact O-N 3.09Å; D74-S78 PolarHBondContact O-OG 2.88Å |
| 75 | H | 96.8 | Very high | 95.2 | Very high | 115 Ų | 115 | 71.7 Ų | 71.7 | 53% | 0.532 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.2 | -48.7 | 167.2 | -175.5 | 64.9 | 0 | 0 | 0 | 110.9 | H71 R73 S78 H79 | H71-H75 VanDerWaalsContact O-CB 3.23Å; H71-H75 WeakPolarHBondContact O-CB 3.4Å; H71-H75 PolarHBondContact O-N 3.13Å; R73-H75 VanDerWaalsContact C-N 3.31Å; R73-H75 PolarHBondContact O-N 3.35Å; H75-S78 PolarHBondContact O-OG 3.43Å; H75-H79 AromaticContact CE1-NE2 3.7Å; H75-H79 AromaticContact NE2-NE2 3.95Å; H75-H79 PolarHBondContact O-CD2 2.98Å |
| 76 | C | 95.9 | Very high | 94.2 | Very high | 20 Ų | 20 | 84 Ų | 84 | 14% | 0.135 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 113.3 | C32 A72 R73 D74 | C32-C76 VanDerWaalsContact CA-SG 3.57Å; C32-C76 HydrophobicContact CB-CB 3.63Å; C32-C76 WeakPolarHBondContact CB-SG 3.22Å; C32-C76 WeakPolarHBondContact SG-CB 3.47Å; C32-C76 CovalentContact SG-SG 2.05Å; C32-C76 PolarHBondContact SG-SG 3.11Å; A72-C76 PolarHBondContact O-N 3.1Å; R73-C76 WeakPolarHBondContact O-CB 3.45Å; R73-C76 PolarHBondContact O-N 2.88Å; R73-C76 VanDerWaalsContact O-N 3.09Å; D74-C76 VanDerWaalsContact C-N 3.34Å; D74-C76 PolarHBondContact O-N 2.9Å |
| 77 | V | 96.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 84.7 Ų | 84.7 | 4% | 0.036 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | -177.1 | 172 | 0 | 0 | 0 | 0 | 111.3 | L25 R29 C32 R73 D74 H79 K80 L81 | L25-V77 HydrophobicContact CD1-CG1 3.74Å; R29-V77 HydrophobicContact CG-CG2 4.18Å; C32-V77 HydrophobicContact CB-CG2 4.01Å; R73-V77 HydrophobicContact CG-CG2 4.29Å; R73-V77 WeakPolarHBondContact O-CG2 3.25Å; R73-V77 PolarHBondContact O-N 3.15Å; D74-V77 PolarHBondContact O-N 3.36Å; V77-H79 PolarHBondContact O-N 2.92Å; V77-H79 VanDerWaalsContact O-N 3.15Å; V77-K80 PolarHBondContact O-N 3.47Å; V77-L81 HydrophobicContact CG1-CB 3.98Å; V77-L81 HydrophobicContact CG1-CD2 4.28Å; V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 PolarHBondContact O-N 3.07Å |
| 78 | S | 95.1 | Very high | 93.8 | Very high | 60 Ų | 60 | 82 Ų | 82 | 42% | 0.42 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57 | -33.4 | -177.2 | 71.1 | 0 | 0 | 0 | 0 | 113.2 | D74 H75 K80 | D74-S78 VanDerWaalsContact O-CB 3.25Å; D74-S78 WeakPolarHBondContact O-CB 3.2Å; D74-S78 PolarHBondContact O-N 3.09Å; D74-S78 PolarHBondContact O-OG 2.88Å; H75-S78 PolarHBondContact O-OG 3.43Å; S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.34Å |
| 79 | H | 93.6 | Very high | 93.6 | Very high | 121 Ų | 121 | 82.8 Ų | 82.8 | 56% | 0.56 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -70.7 | -20.1 | 177.1 | -71 | -62.7 | 0 | 0 | 0 | 113.9 | H75 V77 H83 | H75-H79 AromaticContact CE1-NE2 3.7Å; H75-H79 AromaticContact NE2-NE2 3.95Å; H75-H79 PolarHBondContact O-CD2 2.98Å; V77-H79 PolarHBondContact O-N 2.92Å; V77-H79 VanDerWaalsContact O-N 3.15Å; H79-H83 PolarHBondContact O-CE1 3.36Å; H79-H83 PolarHBondContact O-ND1 3.36Å |
| 80 | K | 92.9 | Very high | 93.3 | Very high | 92 Ų | 92 | 86.6 Ų | 86.6 | 40% | 0.4 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -116.7 | -34.3 | -169.8 | -61.6 | 177.2 | -175.3 | 172.4 | 0 | 113.6 | L28 V77 S78 F82 H83 | L28-K80 HydrophobicContact CD1-CB 4.02Å; L28-K80 HydrophobicContact CD2-CB 3.75Å; L28-K80 HydrophobicContact CD2-CD 3.91Å; L28-K80 HydrophobicContact CD2-CG 4.48Å; V77-K80 PolarHBondContact O-N 3.47Å; S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.34Å; K80-F82 PolarHBondContact O-N 3.36Å; K80-H83 WeakPolarHBondContact O-CB 3.23Å; K80-H83 PolarHBondContact O-N 2.89Å; K80-H83 VanDerWaalsContact O-N 3.13Å |
| 81 | L | 93.5 | Very high | 93.1 | Very high | 31 Ų | 31 | 89.1 Ų | 89.1 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -57.9 | -47.3 | -169.9 | -176.9 | 63.6 | 0 | 0 | 0 | 113 | L25 L28 V77 H83 S84 I85 | L25-L81 HydrophobicContact CB-CD1 3.98Å; L25-L81 HydrophobicContact CD1-CD1 3.86Å; L25-L81 HydrophobicContact CD1-CD2 3.88Å; L25-L81 HydrophobicContact CD1-CG 4.48Å; L28-L81 HydrophobicContact CD1-CB 4.2Å; L28-L81 HydrophobicContact CD1-CD1 4.04Å; V77-L81 HydrophobicContact CG1-CB 3.98Å; V77-L81 HydrophobicContact CG1-CD2 4.28Å; V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 PolarHBondContact O-N 3.07Å; L81-H83 PolarHBondContact O-N 3.08Å; L81-S84 PolarHBondContact O-N 3.38Å; L81-I85 PolarHBondContact O-N 2.86Å |
| 82 | F | 92.4 | Very high | 92.8 | Very high | 151 Ų | 151 | 85.9 Ų | 85.9 | 66% | 0.662 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.9 | -177.4 | -67.5 | -75.8 | 0 | 0 | 0 | 114.6 | K80 I85 | K80-F82 PolarHBondContact O-N 3.36Å; F82-I85 HydrophobicContact CD1-CD1 3.72Å; F82-I85 HydrophobicContact CD1-CG1 4.27Å; F82-I85 HydrophobicContact CE1-CD1 3.98Å |
| 83 | H | 91.5 | Very high | 92.5 | Very high | 161 Ų | 161 | 91.3 Ų | 91.3 | 75% | 0.745 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -18.8 | 170.8 | -61.5 | 86.5 | 0 | 0 | 0 | 112.5 | H79 K80 L81 | H79-H83 PolarHBondContact O-CE1 3.36Å; H79-H83 PolarHBondContact O-ND1 3.36Å; K80-H83 WeakPolarHBondContact O-CB 3.23Å; K80-H83 PolarHBondContact O-N 2.89Å; K80-H83 VanDerWaalsContact O-N 3.13Å; L81-H83 PolarHBondContact O-N 3.08Å |
| 84 | S | 86.4 | Confident | 92.1 | Very high | 62 Ų | 62 | 96.3 Ų | 96.3 | 43% | 0.434 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -19.7 | -174.3 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | L81 | L81-S84 PolarHBondContact O-N 3.38Š|
| 85 | I | 88 | Confident | 91.7 | Very high | 84 Ų | 84 | 98.7 Ų | 98.7 | 43% | 0.431 | 48% | 0.478 | S | S | . | . | trans | -100.9 | 137.8 | 175.7 | 58.8 | 174.2 | 0 | 0 | 0 | 110.1 | L81 F82 | L81-I85 PolarHBondContact O-N 2.86Å; F82-I85 HydrophobicContact CD1-CD1 3.72Å; F82-I85 HydrophobicContact CD1-CG1 4.27Å; F82-I85 HydrophobicContact CE1-CD1 3.98Å | ||
| 86 | K | 78.3 | Confident | 91.3 | Very high | 281 Ų | 281 | 97.2 Ų | 97.2 | 100% | 1.222 | 47% | 0.473 | S | S | * | . | trans | -115 | 0 | 177.7 | -79 | -164.9 | 179.7 | 71.4 | 0 | 111.2 |
Retrieved 86 of 86 residues in 98.7 ms
(Link to these results)