| 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 | 40.3 | Very low | 67.5 | Low | 238 Ų | 238 | 115.8 Ų | 115.8 | 100% | 1.172 | 65% | 0.648 | S | S | * | * | 0 | 111.2 | 0 | -78 | 167.9 | 167.1 | 0 | 0 | 106.8 | M3 | M1-M3 PolarHBondContact O-N 2.78Š| |||
| 2 | N | 54.4 | Low | 69 | Low | 167 Ų | 167 | 115.5 Ų | 115.5 | 89% | 0.893 | 64% | 0.644 | S | S | * | * | trans | -80.2 | 100.3 | 176.7 | -157.8 | 9.6 | 0 | 0 | 0 | 106.7 | S4 | N2-S4 VanDerWaalsContact C-N 3.34Å; N2-S4 PolarHBondContact O-N 2.93Å | ||
| 3 | M | 53.3 | Low | 70.4 | Confident | 156 Ų | 156 | 110.7 Ų | 110.7 | 77% | 0.768 | 62% | 0.619 | S | S | * | * | trans | -72.7 | 92.6 | 175.4 | -74.6 | 167.9 | 62.1 | 0 | 0 | 107.4 | M1 Q5 | M1-M3 PolarHBondContact O-N 2.78Å; M3-Q5 PolarHBondContact O-N 3.09Å | ||
| 4 | S | 62 | Low | 71.6 | Confident | 111 Ų | 111 | 104.6 Ų | 104.6 | 78% | 0.776 | 59% | 0.586 | S | S | * | * | trans | -62.8 | 92.2 | 160.2 | 49.3 | 0 | 0 | 0 | 0 | 107.2 | N2 A6 | N2-S4 VanDerWaalsContact C-N 3.34Å; N2-S4 PolarHBondContact O-N 2.93Å; S4-A6 PolarHBondContact O-N 3.47Å | ||
| 5 | Q | 64.8 | Low | 72.6 | Confident | 147 Ų | 147 | 102.7 Ų | 102.7 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | trans | -61.8 | 105 | 167 | -94 | -179.3 | -58 | 0 | 0 | 106.4 | M3 S7 | M3-Q5 PolarHBondContact O-N 3.09Å; Q5-S7 PolarHBondContact O-N 3.04Å | ||
| 6 | A | 66.4 | Low | 73.4 | Confident | 83 Ų | 83 | 106.1 Ų | 106.1 | 69% | 0.686 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 121.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | S4 V8 | S4-A6 PolarHBondContact O-N 3.47Å; A6-V8 PolarHBondContact O-N 3.11Å |
| 7 | S | 72.5 | Confident | 74.2 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 116.9 | 174.6 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | Q5 | Q5-S7 PolarHBondContact O-N 3.04Š|
| 8 | V | 79.2 | Confident | 75 | Confident | 56 Ų | 56 | 101.8 Ų | 101.8 | 34% | 0.339 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -77.4 | 129.2 | 171.5 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | A6 D12 V13 L44 Y49 | A6-V8 PolarHBondContact O-N 3.11Å; V8-D12 HydrophobicContact CG1-CB 4.19Å; V8-V13 HydrophobicContact CG1-CG1 4.04Å; V8-L44 HydrophobicContact CB-CD2 4.5Å; V8-L44 HydrophobicContact CG1-CD2 3.94Å; V8-Y49 WeakPolarHBondContact O-CB 3.41Å |
| 9 | S | 82.6 | Confident | 75.5 | Confident | 41 Ų | 41 | 101.4 Ų | 101.4 | 29% | 0.287 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -101.4 | 168.1 | 175.3 | 77.3 | 0 | 0 | 0 | 0 | 111.4 | Q11 D12 | S9-Q11 PolarHBondContact O-N 3.18Å; S9-Q11 PolarHBondContact OG-N 3.38Å; S9-D12 WeakPolarHBondContact CA-OD2 3.47Å; S9-D12 WeakPolarHBondContact CB-OD2 3.19Å; S9-D12 PolarHBondContact N-OD2 3.25Å; S9-D12 PolarHBondContact O-N 3.03Å; S9-D12 PolarHBondContact OG-OD2 2.97Å |
| 10 | F | 83.2 | Confident | 76.2 | Confident | 24 Ų | 24 | 102 Ų | 102 | 11% | 0.105 | 55% | 0.55 | C | S | . | . | S | Bend | trans | -59.1 | -36.2 | 173.7 | -174.9 | -108.9 | 0 | 0 | 0 | 112 | D12 V13 T14 L44 P54 V56 I57 | F10-D12 VanDerWaalsContact C-N 3.26Å; F10-D12 PolarHBondContact O-N 2.79Å; F10-V13 WeakPolarHBondContact O-CG2 3.43Å; F10-V13 PolarHBondContact O-N 3.43Å; F10-T14 HydrophobicContact CD1-CG2 3.44Å; F10-T14 VanDerWaalsContact CD1-CG2 3.44Å; F10-T14 HydrophobicContact CD2-CG2 4.02Å; F10-T14 HydrophobicContact CE1-CG2 3.12Å; F10-T14 HydrophobicContact CE2-CG2 3.72Å; F10-T14 HydrophobicContact CG-CG2 3.88Å; F10-T14 HydrophobicContact CZ-CG2 3.24Å; F10-T14 WeakPolarHBondContact O-CG2 3.48Å; F10-T14 PolarHBondContact O-N 3.1Å; F10-T14 PolarHBondContact O-OG1 3.15Å; F10-L44 HydrophobicContact CB-CD1 4.08Å; F10-L44 HydrophobicContact CD2-CD1 3.84Å; F10-L44 HydrophobicContact CG-CD1 4.45Å; F10-P54 HydrophobicContact CB-CG 4.12Å; F10-P54 HydrophobicContact CD1-CB 3.89Å; F10-P54 HydrophobicContact CD1-CG 3.48Å; F10-P54 VanDerWaalsContact CD1-CG 3.48Å; F10-P54 HydrophobicContact CD2-CG 4.16Å; F10-P54 HydrophobicContact CE1-CB 4.01Å; F10-P54 HydrophobicContact CE1-CG 3.89Å; F10-P54 HydrophobicContact CG-CG 3.65Å; F10-P54 HydrophobicContact CZ-CG 4.43Å; F10-V56 HydrophobicContact CE1-CG1 3.62Å; F10-V56 HydrophobicContact CZ-CG1 4.29Å; F10-I57 HydrophobicContact CE1-CD1 4.34Å; F10-I57 HydrophobicContact CE1-CG1 4.13Å; F10-I57 HydrophobicContact CE2-CD1 3.78Å; F10-I57 HydrophobicContact CE2-CG1 3.95Å; F10-I57 HydrophobicContact CZ-CD1 3.42Å; F10-I57 VanDerWaalsContact CZ-CD1 3.42Å; F10-I57 HydrophobicContact CZ-CG1 3.59Å |
| 11 | Q | 84.1 | Confident | 76.8 | Confident | 149 Ų | 149 | 101.8 Ų | 101.8 | 70% | 0.696 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -64.4 | -30.3 | -179.7 | -70.9 | 164.6 | -21.3 | 0 | 0 | 112.7 | S9 V13 T14 | S9-Q11 PolarHBondContact O-N 3.18Å; S9-Q11 PolarHBondContact OG-N 3.38Å; Q11-V13 PolarHBondContact O-N 3.02Å; Q11-T14 WeakPolarHBondContact CA-OG1 3.45Å; Q11-T14 PolarHBondContact O-OG1 3.36Å |
| 12 | D | 85.9 | Confident | 79.2 | Confident | 112 Ų | 112 | 90.9 Ų | 90.9 | 60% | 0.599 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -71.6 | -16.1 | -179.1 | -59.3 | -58.3 | 0 | 0 | 0 | 113.2 | V8 S9 F10 | V8-D12 HydrophobicContact CG1-CB 4.19Å; S9-D12 WeakPolarHBondContact CA-OD2 3.47Å; S9-D12 WeakPolarHBondContact CB-OD2 3.19Å; S9-D12 PolarHBondContact N-OD2 3.25Å; S9-D12 PolarHBondContact O-N 3.03Å; S9-D12 PolarHBondContact OG-OD2 2.97Å; F10-D12 VanDerWaalsContact C-N 3.26Å; F10-D12 PolarHBondContact O-N 2.79Å |
| 13 | V | 86.4 | Confident | 80.9 | Confident | 53 Ų | 53 | 88.9 Ų | 88.9 | 32% | 0.321 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -121.2 | 4.2 | -176.8 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | V8 F10 Q11 N40 L44 | V8-V13 HydrophobicContact CG1-CG1 4.04Å; F10-V13 WeakPolarHBondContact O-CG2 3.43Å; F10-V13 PolarHBondContact O-N 3.43Å; Q11-V13 PolarHBondContact O-N 3.02Å; V13-N40 HydrophobicContact CG2-CB 4.16Å; V13-N40 PolarHBondContact O-ND2 3.36Å; V13-L44 HydrophobicContact CG2-CD1 3.51Å; V13-L44 HydrophobicContact CG2-CG 4.2Å |
| 14 | T | 86.9 | Confident | 82.8 | Confident | 26 Ų | 26 | 89 Ų | 89 | 16% | 0.16 | 47% | 0.474 | C | S | . | . | trans | -95.4 | 146.9 | 179.1 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | F10 Q11 M37 | F10-T14 HydrophobicContact CD1-CG2 3.44Å; F10-T14 VanDerWaalsContact CD1-CG2 3.44Å; F10-T14 HydrophobicContact CD2-CG2 4.02Å; F10-T14 HydrophobicContact CE1-CG2 3.12Å; F10-T14 HydrophobicContact CE2-CG2 3.72Å; F10-T14 HydrophobicContact CG-CG2 3.88Å; F10-T14 HydrophobicContact CZ-CG2 3.24Å; F10-T14 WeakPolarHBondContact O-CG2 3.48Å; F10-T14 PolarHBondContact O-N 3.1Å; F10-T14 PolarHBondContact O-OG1 3.15Å; Q11-T14 WeakPolarHBondContact CA-OG1 3.45Å; Q11-T14 PolarHBondContact O-OG1 3.36Å; T14-M37 HydrophobicContact CG2-SD 3.71Å | ||
| 15 | V | 86.7 | Confident | 84.2 | Confident | 76 Ų | 76 | 84.7 Ų | 84.7 | 46% | 0.461 | 44% | 0.443 | S | S | . | . | trans | -90.5 | 128.5 | 162.1 | -179.3 | 0 | 0 | 0 | 0 | 106.5 | F17 Y33 M37 | V15-F17 HydrophobicContact CG1-CD2 4.28Å; V15-F17 HydrophobicContact CG1-CE1 4.44Å; V15-F17 HydrophobicContact CG1-CE2 3.83Å; V15-F17 HydrophobicContact CG1-CZ 3.92Å; V15-Y33 VanDerWaalsContact O-CE2 3.27Å; V15-Y33 WeakPolarHBondContact O-CE2 3.39Å; V15-M37 HydrophobicContact CB-CE 3.91Å; V15-M37 HydrophobicContact CG2-CE 4.17Å; V15-M37 VanDerWaalsContact N-CE 3.32Å | ||
| 16 | E | 85.9 | Confident | 85.7 | Confident | 157 Ų | 157 | 78.9 Ų | 78.9 | 73% | 0.734 | 42% | 0.422 | S | S | * | . | trans | -105.4 | 126.9 | 172.1 | -70.3 | -171.2 | 113.8 | 0 | 0 | 108.6 | ||||
| 17 | F | 87.7 | Confident | 87 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 29% | 0.285 | 42% | 0.423 | S | S | . | . | trans | -103.3 | 139.5 | 168.5 | -70 | -73.6 | 0 | 0 | 0 | 108.3 | V15 E21 W22 L25 Y33 | V15-F17 HydrophobicContact CG1-CD2 4.28Å; V15-F17 HydrophobicContact CG1-CE1 4.44Å; V15-F17 HydrophobicContact CG1-CE2 3.83Å; V15-F17 HydrophobicContact CG1-CZ 3.92Å; F17-E21 HydrophobicContact CB-CB 4.35Å; F17-E21 HydrophobicContact CD1-CB 4.04Å; F17-W22 HydrophobicContact CB-CB 4.48Å; F17-W22 HydrophobicContact CB-CE3 4.4Å; F17-W22 HydrophobicContact CD2-CE3 4.11Å; F17-W22 HydrophobicContact CD2-CZ3 4.33Å; F17-W22 HydrophobicContact CG-CE3 4.5Å; F17-L25 HydrophobicContact CD1-CD1 4.2Å; F17-L25 HydrophobicContact CD2-CD1 3.88Å; F17-L25 HydrophobicContact CE1-CD1 4.14Å; F17-L25 HydrophobicContact CE1-CD2 4.18Å; F17-L25 HydrophobicContact CE2-CD1 3.8Å; F17-L25 HydrophobicContact CG-CD1 4.07Å; F17-L25 HydrophobicContact CZ-CD1 3.94Å; F17-L25 HydrophobicContact CZ-CD2 4.32Å; F17-Y33 AromaticContact CD2-CD2 3.72Å; F17-Y33 HydrophobicContact CD2-CD2 3.72Å; F17-Y33 AromaticContact CD2-CE2 3.8Å; F17-Y33 HydrophobicContact CD2-CE2 3.8Å; F17-Y33 AromaticContact CE2-CD2 3.57Å; F17-Y33 HydrophobicContact CE2-CD2 3.57Å; F17-Y33 HydrophobicContact CE2-CE2 4.07Å; F17-Y33 HydrophobicContact CE2-CG 4.4Å | ||
| 18 | T | 87.7 | Confident | 88.1 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | trans | -65.1 | 162.2 | 161.8 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | E20 E21 W22 | T18-E20 PolarHBondContact O-N 2.9Å; T18-E21 WeakPolarHBondContact CB-OE2 3.45Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.39Å; T18-E21 PolarHBondContact N-OE2 3.33Å; T18-E21 PolarHBondContact O-N 2.98Å; T18-E21 WeakPolarHBondContact OG1-CB 3.39Å; T18-E21 WeakPolarHBondContact OG1-CG 3.34Å; T18-E21 PolarHBondContact OG1-N 3.45Å; T18-E21 VanDerWaalsContact OG1-N 3.15Å; T18-E21 PolarHBondContact OG1-OE2 3.13Å; T18-W22 PolarHBondContact O-N 3.45Å | ||
| 19 | R | 84.9 | Confident | 88.8 | Confident | 95 Ų | 95 | 83 Ų | 83 | 36% | 0.358 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 177.5 | -170.9 | -178.2 | -172.2 | 174.3 | 4.8 | 110.7 | W22 Q23 W67 E72 | R19-W22 PolarHBondContact O-N 3.01Å; R19-Q23 WeakPolarHBondContact O-CG 3.49Å; R19-Q23 PolarHBondContact O-N 2.8Å; R19-W67 HydrophobicContact CG-CD2 4.45Å; R19-E72 IonicContact NH1-OE1 3.31Å; R19-E72 PolarHBondContact NH1-OE1 2.66Å; R19-E72 IonicContact NH1-OE2 3.88Å; R19-E72 PolarHBondContact NH1-OE2 3.39Å |
| 20 | E | 88.3 | Confident | 89.3 | Confident | 113 Ų | 113 | 84.5 Ų | 84.5 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -50.8 | 177.4 | -64.5 | 67.3 | -146.3 | 0 | 0 | 110 | T18 W22 Q23 H24 | T18-E20 PolarHBondContact O-N 2.9Å; E20-W22 VanDerWaalsContact C-N 3.31Å; E20-W22 PolarHBondContact O-N 3.1Å; E20-Q23 WeakPolarHBondContact O-CB 3.41Å; E20-Q23 PolarHBondContact O-N 3.48Å; E20-H24 PolarHBondContact O-N 3.29Å; E20-H24 PolarHBondContact O-ND1 3.04Å |
| 21 | E | 90 | Very high | 89.9 | Confident | 98 Ų | 98 | 87 Ų | 87 | 46% | 0.458 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 177.1 | -72.6 | 163.1 | 145.9 | 0 | 0 | 111.8 | F17 T18 Q23 H24 L25 | F17-E21 HydrophobicContact CB-CB 4.35Å; F17-E21 HydrophobicContact CD1-CB 4.04Å; T18-E21 WeakPolarHBondContact CB-OE2 3.45Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.39Å; T18-E21 PolarHBondContact N-OE2 3.33Å; T18-E21 PolarHBondContact O-N 2.98Å; T18-E21 WeakPolarHBondContact OG1-CB 3.39Å; T18-E21 WeakPolarHBondContact OG1-CG 3.34Å; T18-E21 PolarHBondContact OG1-N 3.45Å; T18-E21 VanDerWaalsContact OG1-N 3.15Å; T18-E21 PolarHBondContact OG1-OE2 3.13Å; E21-Q23 VanDerWaalsContact C-N 3.32Å; E21-Q23 PolarHBondContact O-N 3.04Å; E21-H24 WeakPolarHBondContact O-CB 3.43Å; E21-H24 PolarHBondContact O-N 3.17Å; E21-L25 PolarHBondContact O-N 3.45Å |
| 22 | W | 90.6 | Very high | 90.4 | Very high | 9 Ų | 9 | 85 Ų | 85 | 3% | 0.034 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 177.3 | -176.4 | -95 | 0 | 0 | 0 | 113.8 | F17 T18 R19 E20 H24 L25 R30 Y33 E65 P66 W67 | F17-W22 HydrophobicContact CB-CB 4.48Å; F17-W22 HydrophobicContact CB-CE3 4.4Å; F17-W22 HydrophobicContact CD2-CE3 4.11Å; F17-W22 HydrophobicContact CD2-CZ3 4.33Å; F17-W22 HydrophobicContact CG-CE3 4.5Å; T18-W22 PolarHBondContact O-N 3.45Å; R19-W22 PolarHBondContact O-N 3.01Å; E20-W22 VanDerWaalsContact C-N 3.31Å; E20-W22 PolarHBondContact O-N 3.1Å; W22-H24 PolarHBondContact O-N 3.38Å; W22-L25 HydrophobicContact CD2-CD1 4.07Å; W22-L25 HydrophobicContact CE3-CD1 3.47Å; W22-L25 VanDerWaalsContact CE3-CD1 3.47Å; W22-L25 HydrophobicContact CZ3-CD1 3.99Å; W22-L25 WeakPolarHBondContact O-CB 3.21Å; W22-L25 PolarHBondContact O-N 2.83Å; W22-R30 HydrophobicContact CD2-CG 4.27Å; W22-R30 HydrophobicContact CH2-CB 4.02Å; W22-R30 HydrophobicContact CH2-CG 4.02Å; W22-R30 HydrophobicContact CZ2-CB 3.87Å; W22-R30 HydrophobicContact CZ2-CG 3.63Å; W22-R30 HydrophobicContact CZ3-CG 4.49Å; W22-R30 PolarHBondContact O-NE 3.24Å; W22-R30 PolarHBondContact O-NH2 3.4Å; W22-Y33 AromaticContact CH2-CD1 3.46Å; W22-Y33 HydrophobicContact CH2-CD1 3.46Å; W22-Y33 VanDerWaalsContact CH2-CD1 3.46Å; W22-Y33 HydrophobicContact CH2-CE1 4.04Å; W22-Y33 AromaticContact CH2-CG 3.98Å; W22-Y33 HydrophobicContact CH2-CG 3.98Å; W22-Y33 AromaticContact CZ3-CD1 3.36Å; W22-Y33 HydrophobicContact CZ3-CD1 3.36Å; W22-Y33 HydrophobicContact CZ3-CD2 4.14Å; W22-Y33 AromaticContact CZ3-CE1 3.81Å; W22-Y33 HydrophobicContact CZ3-CE1 3.81Å; W22-Y33 HydrophobicContact CZ3-CE2 4.48Å; W22-Y33 AromaticContact CZ3-CG 3.53Å; W22-Y33 HydrophobicContact CZ3-CG 3.53Å; W22-E65 PolarHBondContact NE1-OE1 3.38Å; W22-P66 HydrophobicContact CE3-CG 4.46Å; W22-P66 HydrophobicContact CH2-CG 3.83Å; W22-P66 HydrophobicContact CZ2-CG 4.08Å; W22-P66 HydrophobicContact CZ3-CG 4.04Å; W22-W67 HydrophobicContact CB-CH2 3.23Å; W22-W67 HydrophobicContact CB-CZ2 3.31Å; W22-W67 HydrophobicContact CB-CZ3 4.14Å; W22-W67 AromaticContact CD1-CE2 3.82Å; W22-W67 AromaticContact CD1-CH2 3.91Å; W22-W67 AromaticContact CD1-CZ2 3.09Å; W22-W67 AromaticContact CD2-CH2 3.25Å; W22-W67 HydrophobicContact CD2-CH2 3.25Å; W22-W67 AromaticContact CD2-CZ2 3.15Å; W22-W67 HydrophobicContact CD2-CZ2 3.15Å; W22-W67 AromaticContact CE2-CH2 3.97Å; W22-W67 AromaticContact CE2-CZ2 3.45Å; W22-W67 VanDerWaalsContact CE2-CZ2 3.45Å; W22-W67 AromaticContact CE3-CH2 3.44Å; W22-W67 HydrophobicContact CE3-CH2 3.44Å; W22-W67 VanDerWaalsContact CE3-CH2 3.44Å; W22-W67 AromaticContact CE3-CZ2 3.84Å; W22-W67 HydrophobicContact CE3-CZ2 3.84Å; W22-W67 AromaticContact CG-CE2 3.92Å; W22-W67 AromaticContact CG-CH2 3.2Å; W22-W67 HydrophobicContact CG-CH2 3.2Å; W22-W67 AromaticContact CG-CZ2 2.88Å; W22-W67 HydrophobicContact CG-CZ2 2.88Å; W22-W67 HydrophobicContact CG-CZ3 4.44Å; W22-W67 HydrophobicContact CZ2-CZ2 4.3Å; W22-W67 HydrophobicContact CZ3-CH2 4.25Å; W22-W67 AromaticContact NE1-CZ2 3.41Å |
| 23 | Q | 89.6 | Confident | 90.8 | Very high | 124 Ų | 124 | 80.9 Ų | 80.9 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61 | -28 | 175.9 | -76.3 | 177.1 | -5 | 0 | 0 | 112.1 | R19 E20 E21 | R19-Q23 WeakPolarHBondContact O-CG 3.49Å; R19-Q23 PolarHBondContact O-N 2.8Å; E20-Q23 WeakPolarHBondContact O-CB 3.41Å; E20-Q23 PolarHBondContact O-N 3.48Å; E21-Q23 VanDerWaalsContact C-N 3.32Å; E21-Q23 PolarHBondContact O-N 3.04Å |
| 24 | H | 93.2 | Very high | 91.1 | Very high | 158 Ų | 158 | 82.7 Ų | 82.7 | 73% | 0.731 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -83.4 | -14.4 | 175.7 | -64.2 | 83 | 0 | 0 | 0 | 113.3 | E20 E21 W22 | E20-H24 PolarHBondContact O-N 3.29Å; E20-H24 PolarHBondContact O-ND1 3.04Å; E21-H24 WeakPolarHBondContact O-CB 3.43Å; E21-H24 PolarHBondContact O-N 3.17Å; W22-H24 PolarHBondContact O-N 3.38Å |
| 25 | L | 91.9 | Very high | 91.5 | Very high | 22 Ų | 22 | 85.7 Ų | 85.7 | 12% | 0.115 | 43% | 0.432 | C | S | . | . | trans | -71.4 | 132.3 | 177 | -63.9 | -178.4 | 0 | 0 | 0 | 111.9 | F17 E21 W22 E29 R30 | F17-L25 HydrophobicContact CD1-CD1 4.2Å; F17-L25 HydrophobicContact CD2-CD1 3.88Å; F17-L25 HydrophobicContact CE1-CD1 4.14Å; F17-L25 HydrophobicContact CE1-CD2 4.18Å; F17-L25 HydrophobicContact CE2-CD1 3.8Å; F17-L25 HydrophobicContact CG-CD1 4.07Å; F17-L25 HydrophobicContact CZ-CD1 3.94Å; F17-L25 HydrophobicContact CZ-CD2 4.32Å; E21-L25 PolarHBondContact O-N 3.45Å; W22-L25 HydrophobicContact CD2-CD1 4.07Å; W22-L25 HydrophobicContact CE3-CD1 3.47Å; W22-L25 VanDerWaalsContact CE3-CD1 3.47Å; W22-L25 HydrophobicContact CZ3-CD1 3.99Å; W22-L25 WeakPolarHBondContact O-CB 3.21Å; W22-L25 PolarHBondContact O-N 2.83Å; L25-E29 WeakPolarHBondContact CA-OE2 3.46Å; L25-E29 HydrophobicContact CB-CB 4.09Å; L25-E29 HydrophobicContact CD2-CB 4.01Å; L25-E29 HydrophobicContact CG-CB 4.46Å; L25-R30 HydrophobicContact CB-CG 3.87Å; L25-R30 PolarHBondContact O-NE 2.7Å | ||
| 26 | G | 95.3 | Very high | 91.9 | Very high | 24 Ų | 24 | 84.3 Ų | 84.3 | 25% | 0.247 | 42% | 0.424 | C | S | . | . | trans | -72.2 | 166.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | V28 E29 R30 | G26-V28 PolarHBondContact O-N 3.01Å; G26-E29 PolarHBondContact N-OE2 2.89Å; G26-E29 PolarHBondContact O-N 3.25Å; G26-E29 VanDerWaalsContact O-N 3.11Å; G26-R30 WeakPolarHBondContact O-CG 3.37Å; G26-R30 PolarHBondContact O-N 3.33Å | ||
| 27 | P | 93.6 | Very high | 92.2 | Very high | 109 Ų | 109 | 77 Ų | 77 | 71% | 0.708 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -55.9 | -36.2 | -179.9 | -26 | 34.3 | 0 | 0 | 0 | 114.1 | T31 | P27-T31 WeakPolarHBondContact O-CB 3.39Å; P27-T31 PolarHBondContact O-N 3.38Å; P27-T31 PolarHBondContact O-OG1 2.83Å |
| 28 | V | 95.9 | Very high | 92.5 | Very high | 119 Ų | 119 | 75.9 Ų | 75.9 | 72% | 0.721 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67 | -44.6 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | G26 T31 L32 | G26-V28 PolarHBondContact O-N 3.01Å; V28-T31 PolarHBondContact O-N 3.19Å; V28-L32 WeakPolarHBondContact O-CB 3.43Å; V28-L32 PolarHBondContact O-N 2.71Å |
| 29 | E | 94.6 | Very high | 92.8 | Very high | 99 Ų | 99 | 77.7 Ų | 77.7 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 180 | -64.6 | 170.7 | 123.7 | 0 | 0 | 111.5 | L25 G26 T31 L32 Y33 | L25-E29 WeakPolarHBondContact CA-OE2 3.46Å; L25-E29 HydrophobicContact CB-CB 4.09Å; L25-E29 HydrophobicContact CD2-CB 4.01Å; L25-E29 HydrophobicContact CG-CB 4.46Å; G26-E29 PolarHBondContact N-OE2 2.89Å; G26-E29 PolarHBondContact O-N 3.25Å; G26-E29 VanDerWaalsContact O-N 3.11Å; E29-T31 VanDerWaalsContact C-N 3.33Å; E29-T31 PolarHBondContact O-N 3.37Å; E29-L32 PolarHBondContact O-N 2.71Å; E29-Y33 WeakPolarHBondContact O-CB 3.39Å; E29-Y33 PolarHBondContact O-N 2.93Å |
| 30 | R | 93.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 75 Ų | 75 | 28% | 0.279 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 174.4 | -65.2 | -179.7 | -175.7 | -162.4 | -3.4 | 112.4 | W22 L25 G26 R34 E65 | W22-R30 HydrophobicContact CD2-CG 4.27Å; W22-R30 HydrophobicContact CH2-CB 4.02Å; W22-R30 HydrophobicContact CH2-CG 4.02Å; W22-R30 HydrophobicContact CZ2-CB 3.87Å; W22-R30 HydrophobicContact CZ2-CG 3.63Å; W22-R30 HydrophobicContact CZ3-CG 4.49Å; W22-R30 PolarHBondContact O-NE 3.24Å; W22-R30 PolarHBondContact O-NH2 3.4Å; L25-R30 HydrophobicContact CB-CG 3.87Å; L25-R30 PolarHBondContact O-NE 2.7Å; G26-R30 WeakPolarHBondContact O-CG 3.37Å; G26-R30 PolarHBondContact O-N 3.33Å; R30-R34 PolarHBondContact O-N 3.1Å; R30-R34 VanDerWaalsContact O-N 3.1Å; R30-E65 IonicContact CZ-OE1 3.97Å; R30-E65 IonicContact NH1-OE1 3.09Å; R30-E65 PolarHBondContact NH1-OE1 3.05Å; R30-E65 VanDerWaalsContact NH1-OE1 3.09Å |
| 31 | T | 94.5 | Very high | 93.3 | Very high | 77 Ų | 77 | 71 Ų | 71 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 174.6 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | P27 V28 E29 Y33 R34 D35 | P27-T31 WeakPolarHBondContact O-CB 3.39Å; P27-T31 PolarHBondContact O-N 3.38Å; P27-T31 PolarHBondContact O-OG1 2.83Å; V28-T31 PolarHBondContact O-N 3.19Å; E29-T31 VanDerWaalsContact C-N 3.33Å; E29-T31 PolarHBondContact O-N 3.37Å; T31-Y33 VanDerWaalsContact C-N 3.32Å; T31-Y33 PolarHBondContact O-N 2.92Å; T31-R34 WeakPolarHBondContact O-CB 3.31Å; T31-R34 PolarHBondContact O-N 3.13Å; T31-R34 VanDerWaalsContact O-N 3.13Å; T31-D35 PolarHBondContact O-N 3.26Å |
| 32 | L | 95.4 | Very high | 93.4 | Very high | 107 Ų | 107 | 69.4 Ų | 69.4 | 56% | 0.56 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.3 | -43.3 | 176.9 | -178.3 | 63.7 | 0 | 0 | 0 | 111.8 | V28 E29 R34 D35 V36 | V28-L32 WeakPolarHBondContact O-CB 3.43Å; V28-L32 PolarHBondContact O-N 2.71Å; E29-L32 PolarHBondContact O-N 2.71Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 3.42Å; L32-D35 PolarHBondContact O-N 3.3Å; L32-V36 HydrophobicContact CD1-CG2 4Å; L32-V36 HydrophobicContact CG-CG2 4.29Å; L32-V36 WeakPolarHBondContact O-CB 3.47Å; L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.73Å |
| 33 | Y | 94.3 | Very high | 93.5 | Very high | 24 Ų | 24 | 73.6 Ų | 73.6 | 9% | 0.094 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56 | -49.5 | 174.3 | 174.1 | -94.8 | 0 | 0 | 0 | 111.6 | V15 F17 W22 E29 T31 D35 V36 M37 L60 P66 | V15-Y33 VanDerWaalsContact O-CE2 3.27Å; V15-Y33 WeakPolarHBondContact O-CE2 3.39Å; F17-Y33 AromaticContact CD2-CD2 3.72Å; F17-Y33 HydrophobicContact CD2-CD2 3.72Å; F17-Y33 AromaticContact CD2-CE2 3.8Å; F17-Y33 HydrophobicContact CD2-CE2 3.8Å; F17-Y33 AromaticContact CE2-CD2 3.57Å; F17-Y33 HydrophobicContact CE2-CD2 3.57Å; F17-Y33 HydrophobicContact CE2-CE2 4.07Å; F17-Y33 HydrophobicContact CE2-CG 4.4Å; W22-Y33 AromaticContact CH2-CD1 3.46Å; W22-Y33 HydrophobicContact CH2-CD1 3.46Å; W22-Y33 VanDerWaalsContact CH2-CD1 3.46Å; W22-Y33 HydrophobicContact CH2-CE1 4.04Å; W22-Y33 AromaticContact CH2-CG 3.98Å; W22-Y33 HydrophobicContact CH2-CG 3.98Å; W22-Y33 AromaticContact CZ3-CD1 3.36Å; W22-Y33 HydrophobicContact CZ3-CD1 3.36Å; W22-Y33 HydrophobicContact CZ3-CD2 4.14Å; W22-Y33 AromaticContact CZ3-CE1 3.81Å; W22-Y33 HydrophobicContact CZ3-CE1 3.81Å; W22-Y33 HydrophobicContact CZ3-CE2 4.48Å; W22-Y33 AromaticContact CZ3-CG 3.53Å; W22-Y33 HydrophobicContact CZ3-CG 3.53Å; E29-Y33 WeakPolarHBondContact O-CB 3.39Å; E29-Y33 PolarHBondContact O-N 2.93Å; T31-Y33 VanDerWaalsContact C-N 3.32Å; T31-Y33 PolarHBondContact O-N 2.92Å; Y33-D35 VanDerWaalsContact C-N 3.34Å; Y33-D35 PolarHBondContact O-N 3.07Å; Y33-V36 PolarHBondContact O-N 3.05Å; Y33-M37 HydrophobicContact CD1-CG 4.09Å; Y33-M37 HydrophobicContact CD2-CE 4.13Å; Y33-M37 HydrophobicContact CD2-CG 4Å; Y33-M37 HydrophobicContact CE1-CG 3.73Å; Y33-M37 HydrophobicContact CE2-CE 3.97Å; Y33-M37 HydrophobicContact CE2-CG 3.66Å; Y33-M37 HydrophobicContact CE2-SD 4.06Å; Y33-M37 HydrophobicContact CG-CG 4.25Å; Y33-M37 WeakPolarHBondContact O-CB 3.25Å; Y33-M37 VanDerWaalsContact O-CG 3.25Å; Y33-M37 WeakPolarHBondContact O-CG 3.26Å; Y33-M37 PolarHBondContact O-N 3.04Å; Y33-L60 HydrophobicContact CD1-CD1 4.42Å; Y33-L60 HydrophobicContact CD1-CD2 4.29Å; Y33-L60 HydrophobicContact CE1-CD1 3.91Å; Y33-L60 HydrophobicContact CE1-CD2 4.12Å; Y33-P66 HydrophobicContact CD1-CG 4.47Å; Y33-P66 HydrophobicContact CE1-CG 3.71Å |
| 34 | R | 93.4 | Very high | 93.4 | Very high | 92 Ų | 92 | 68.1 Ų | 68.1 | 35% | 0.347 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.7 | -50.3 | 178.8 | 180 | -173.9 | -176.5 | -171.4 | 0.2 | 110.8 | R30 T31 L32 M37 L38 L60 E61 | R30-R34 PolarHBondContact O-N 3.1Å; R30-R34 VanDerWaalsContact O-N 3.1Å; T31-R34 WeakPolarHBondContact O-CB 3.31Å; T31-R34 PolarHBondContact O-N 3.13Å; T31-R34 VanDerWaalsContact O-N 3.13Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 3.42Å; R34-M37 PolarHBondContact O-N 3.32Å; R34-L38 HydrophobicContact CG-CD1 3.91Å; R34-L38 WeakPolarHBondContact O-CB 3.28Å; R34-L38 VanDerWaalsContact O-CG 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.32Å; R34-L38 PolarHBondContact O-N 2.93Å; R34-L60 HydrophobicContact CB-CD2 4.29Å; R34-L60 HydrophobicContact CG-CB 4.26Å; R34-L60 HydrophobicContact CG-CD2 4.22Å; R34-L60 VanDerWaalsContact CZ-O 3.23Å; R34-L60 PolarHBondContact NE-O 2.88Å; R34-L60 PolarHBondContact NH2-O 3.38Å; R34-E61 PolarHBondContact NH2-O 3.02Å |
| 35 | D | 95.3 | Very high | 93.2 | Very high | 88 Ų | 88 | 64.1 Ų | 64.1 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | -176.9 | -66.9 | -17.9 | 0 | 0 | 0 | 111 | T31 L32 Y33 M37 L38 E39 | T31-D35 PolarHBondContact O-N 3.26Å; L32-D35 PolarHBondContact O-N 3.3Å; Y33-D35 VanDerWaalsContact C-N 3.34Å; Y33-D35 PolarHBondContact O-N 3.07Å; D35-M37 PolarHBondContact O-N 3.22Å; D35-L38 PolarHBondContact O-N 2.92Å; D35-E39 WeakPolarHBondContact O-CB 3.25Å; D35-E39 PolarHBondContact O-N 2.88Å |
| 36 | V | 93.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.9 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | L32 Y33 L38 E39 N40 | L32-V36 HydrophobicContact CD1-CG2 4Å; L32-V36 HydrophobicContact CG-CG2 4.29Å; L32-V36 WeakPolarHBondContact O-CB 3.47Å; L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.73Å; Y33-V36 PolarHBondContact O-N 3.05Å; V36-L38 PolarHBondContact O-N 3.42Å; V36-E39 PolarHBondContact O-N 2.91Å; V36-N40 WeakPolarHBondContact O-CB 3.46Å; V36-N40 PolarHBondContact O-N 3.01Å; V36-N40 PolarHBondContact O-OD1 3.46Å |
| 37 | M | 92.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 179.6 | -71.2 | -51.6 | 114.8 | 0 | 0 | 112.1 | T14 V15 Y33 R34 D35 Y41 I57 L60 | T14-M37 HydrophobicContact CG2-SD 3.71Å; V15-M37 HydrophobicContact CB-CE 3.91Å; V15-M37 HydrophobicContact CG2-CE 4.17Å; V15-M37 VanDerWaalsContact N-CE 3.32Å; Y33-M37 HydrophobicContact CD1-CG 4.09Å; Y33-M37 HydrophobicContact CD2-CE 4.13Å; Y33-M37 HydrophobicContact CD2-CG 4Å; Y33-M37 HydrophobicContact CE1-CG 3.73Å; Y33-M37 HydrophobicContact CE2-CE 3.97Å; Y33-M37 HydrophobicContact CE2-CG 3.66Å; Y33-M37 HydrophobicContact CE2-SD 4.06Å; Y33-M37 HydrophobicContact CG-CG 4.25Å; Y33-M37 WeakPolarHBondContact O-CB 3.25Å; Y33-M37 VanDerWaalsContact O-CG 3.25Å; Y33-M37 WeakPolarHBondContact O-CG 3.26Å; Y33-M37 PolarHBondContact O-N 3.04Å; R34-M37 PolarHBondContact O-N 3.32Å; D35-M37 PolarHBondContact O-N 3.22Å; M37-Y41 PolarHBondContact O-N 3.48Å; M37-Y41 VanDerWaalsContact O-N 3.08Å; M37-I57 HydrophobicContact CB-CD1 4.33Å; M37-I57 WeakPolarHBondContact O-CD1 3.36Å; M37-L60 HydrophobicContact CB-CD1 3.58Å; M37-L60 HydrophobicContact CG-CD1 4.08Å |
| 38 | L | 93.3 | Very high | 92.3 | Very high | 43 Ų | 43 | 68.3 Ų | 68.3 | 23% | 0.225 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 176.6 | -69.9 | 174.6 | 0 | 0 | 0 | 111.6 | R34 D35 V36 Y41 S42 I57 L60 E61 | R34-L38 HydrophobicContact CG-CD1 3.91Å; R34-L38 WeakPolarHBondContact O-CB 3.28Å; R34-L38 VanDerWaalsContact O-CG 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.32Å; R34-L38 PolarHBondContact O-N 2.93Å; D35-L38 PolarHBondContact O-N 2.92Å; V36-L38 PolarHBondContact O-N 3.42Å; L38-Y41 PolarHBondContact O-N 3.24Å; L38-S42 PolarHBondContact O-N 2.88Å; L38-I57 HydrophobicContact CD2-CD1 4.34Å; L38-I57 HydrophobicContact CD2-CG2 4.24Å; L38-L60 HydrophobicContact CD2-CB 4.2Å; L38-L60 HydrophobicContact CG-CB 4.44Å; L38-E61 HydrophobicContact CD2-CG 3.66Å |
| 39 | E | 94.4 | Very high | 91.5 | Very high | 107 Ų | 107 | 67.1 Ų | 67.1 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 175.3 | -177.2 | 174 | -167.5 | 0 | 0 | 111.4 | D35 V36 Y41 S42 H43 | D35-E39 WeakPolarHBondContact O-CB 3.25Å; D35-E39 PolarHBondContact O-N 2.88Å; V36-E39 PolarHBondContact O-N 2.91Å; E39-Y41 VanDerWaalsContact C-N 3.33Å; E39-Y41 PolarHBondContact O-N 3.5Å; E39-S42 WeakPolarHBondContact O-CB 3.42Å; E39-S42 PolarHBondContact O-N 3.49Å; E39-S42 VanDerWaalsContact O-N 3.15Å; E39-H43 WeakPolarHBondContact CG-CE1 3.38Å; E39-H43 VanDerWaalsContact O-CG 3.31Å; E39-H43 PolarHBondContact O-N 2.72Å; E39-H43 PolarHBondContact O-ND1 3.15Å; E39-H43 IonicContact OE1-CE1 3.24Å; E39-H43 PolarHBondContact OE1-CE1 3.3Å; E39-H43 VanDerWaalsContact OE1-CE1 3.31Å; E39-H43 IonicContact OE1-NE2 2.73Å |
| 40 | N | 92.4 | Very high | 90.6 | Very high | 37 Ų | 37 | 63.2 Ų | 63.2 | 20% | 0.198 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 177.1 | -73 | -8.5 | 0 | 0 | 0 | 112.2 | V13 V36 H43 L44 | V13-N40 HydrophobicContact CG2-CB 4.16Å; V13-N40 PolarHBondContact O-ND2 3.36Å; V36-N40 WeakPolarHBondContact O-CB 3.46Å; V36-N40 PolarHBondContact O-N 3.01Å; V36-N40 PolarHBondContact O-OD1 3.46Å; N40-H43 PolarHBondContact O-N 2.86Å; N40-L44 WeakPolarHBondContact O-CG 3.37Å; N40-L44 PolarHBondContact O-N 3.4Å |
| 41 | Y | 91.4 | Very high | 89.6 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 174.1 | 174.7 | -110.6 | 0 | 0 | 0 | 112 | M37 L38 E39 H43 L44 I45 C50 K53 P54 I57 | M37-Y41 PolarHBondContact O-N 3.48Å; M37-Y41 VanDerWaalsContact O-N 3.08Å; L38-Y41 PolarHBondContact O-N 3.24Å; E39-Y41 VanDerWaalsContact C-N 3.33Å; E39-Y41 PolarHBondContact O-N 3.5Å; Y41-H43 VanDerWaalsContact C-N 3.31Å; Y41-H43 PolarHBondContact O-N 3.03Å; Y41-L44 PolarHBondContact O-N 3.43Å; Y41-I45 HydrophobicContact CD1-CG1 4.38Å; Y41-I45 HydrophobicContact CD2-CG1 4.18Å; Y41-I45 HydrophobicContact CE1-CD1 4.4Å; Y41-I45 HydrophobicContact CE1-CG1 3.98Å; Y41-I45 HydrophobicContact CE2-CD1 3.82Å; Y41-I45 HydrophobicContact CE2-CG1 3.73Å; Y41-I45 HydrophobicContact CG-CG1 4.48Å; Y41-I45 VanDerWaalsContact O-CG1 3.28Å; Y41-I45 WeakPolarHBondContact O-CG1 3.27Å; Y41-I45 PolarHBondContact O-N 2.9Å; Y41-I45 WeakPolarHBondContact OH-CD1 3.43Å; Y41-C50 HydrophobicContact CE2-CB 4.38Å; Y41-K53 HydrophobicContact CE1-CG 4.46Å; Y41-K53 HydrophobicContact CE2-CB 4.49Å; Y41-K53 HydrophobicContact CE2-CG 4.46Å; Y41-K53 WeakPolarHBondContact OH-CB 3.26Å; Y41-K53 WeakPolarHBondContact OH-CE 3.41Å; Y41-P54 HydrophobicContact CD2-CG 4.43Å; Y41-I57 HydrophobicContact CD1-CG1 4.5Å; Y41-I57 HydrophobicContact CD1-CG2 3.64Å; Y41-I57 HydrophobicContact CD2-CG1 4.13Å; Y41-I57 HydrophobicContact CD2-CG2 4.45Å; Y41-I57 HydrophobicContact CE1-CG2 3.93Å; Y41-I57 HydrophobicContact CG-CB 4.49Å; Y41-I57 HydrophobicContact CG-CD1 4.18Å; Y41-I57 HydrophobicContact CG-CG1 3.91Å; Y41-I57 HydrophobicContact CG-CG2 3.91Å |
| 42 | S | 91.9 | Very high | 89 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | L38 E39 I45 S46 | L38-S42 PolarHBondContact O-N 2.88Å; E39-S42 WeakPolarHBondContact O-CB 3.42Å; E39-S42 PolarHBondContact O-N 3.49Å; E39-S42 VanDerWaalsContact O-N 3.15Å; S42-I45 PolarHBondContact O-N 3.45Å; S42-S46 WeakPolarHBondContact O-CB 3.44Å; S42-S46 PolarHBondContact O-N 2.92Å; S42-S46 PolarHBondContact O-OG 3.44Å |
| 43 | H | 92.1 | Very high | 88.6 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 175.7 | -69 | 156.8 | 0 | 0 | 0 | 111.6 | E39 N40 Y41 I45 S46 V47 | E39-H43 WeakPolarHBondContact CG-CE1 3.38Å; E39-H43 VanDerWaalsContact O-CG 3.31Å; E39-H43 PolarHBondContact O-N 2.72Å; E39-H43 PolarHBondContact O-ND1 3.15Å; E39-H43 IonicContact OE1-CE1 3.24Å; E39-H43 PolarHBondContact OE1-CE1 3.3Å; E39-H43 VanDerWaalsContact OE1-CE1 3.31Å; E39-H43 IonicContact OE1-NE2 2.73Å; N40-H43 PolarHBondContact O-N 2.86Å; Y41-H43 VanDerWaalsContact C-N 3.31Å; Y41-H43 PolarHBondContact O-N 3.03Å; H43-I45 VanDerWaalsContact C-N 3.31Å; H43-I45 PolarHBondContact O-N 3.2Å; H43-S46 WeakPolarHBondContact O-CA 3.15Å; H43-S46 WeakPolarHBondContact O-CB 3.35Å; H43-S46 PolarHBondContact O-N 3.43Å; H43-V47 WeakPolarHBondContact O-CG2 3.45Å; H43-V47 PolarHBondContact O-N 3.46Å |
| 44 | L | 89.3 | Confident | 88.3 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 179.1 | -73.8 | 171.9 | 0 | 0 | 0 | 113.6 | V8 F10 V13 N40 Y41 G48 Y49 C50 | V8-L44 HydrophobicContact CB-CD2 4.5Å; V8-L44 HydrophobicContact CG1-CD2 3.94Å; F10-L44 HydrophobicContact CB-CD1 4.08Å; F10-L44 HydrophobicContact CD2-CD1 3.84Å; F10-L44 HydrophobicContact CG-CD1 4.45Å; V13-L44 HydrophobicContact CG2-CD1 3.51Å; V13-L44 HydrophobicContact CG2-CG 4.2Å; N40-L44 WeakPolarHBondContact O-CG 3.37Å; N40-L44 PolarHBondContact O-N 3.4Å; Y41-L44 PolarHBondContact O-N 3.43Å; L44-G48 PolarHBondContact O-N 3.36Å; L44-Y49 PolarHBondContact O-N 3.21Å; L44-C50 HydrophobicContact CB-CB 3.8Å; L44-C50 PolarHBondContact O-N 3.39Å |
| 45 | I | 89 | Confident | 88 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 171.7 | -69 | -80.7 | 0 | 0 | 0 | 110 | Y41 S42 H43 V47 G48 C50 | Y41-I45 HydrophobicContact CD1-CG1 4.38Å; Y41-I45 HydrophobicContact CD2-CG1 4.18Å; Y41-I45 HydrophobicContact CE1-CD1 4.4Å; Y41-I45 HydrophobicContact CE1-CG1 3.98Å; Y41-I45 HydrophobicContact CE2-CD1 3.82Å; Y41-I45 HydrophobicContact CE2-CG1 3.73Å; Y41-I45 HydrophobicContact CG-CG1 4.48Å; Y41-I45 VanDerWaalsContact O-CG1 3.28Å; Y41-I45 WeakPolarHBondContact O-CG1 3.27Å; Y41-I45 PolarHBondContact O-N 2.9Å; Y41-I45 WeakPolarHBondContact OH-CD1 3.43Å; S42-I45 PolarHBondContact O-N 3.45Å; H43-I45 VanDerWaalsContact C-N 3.31Å; H43-I45 PolarHBondContact O-N 3.2Å; I45-V47 VanDerWaalsContact C-N 3.27Å; I45-V47 PolarHBondContact O-N 3.09Å; I45-G48 PolarHBondContact O-N 3.38Å; I45-C50 HydrophobicContact CD1-CB 4.27Å; I45-C50 WeakPolarHBondContact CD1-O 3.45Å; I45-C50 HydrophobicContact CG1-CB 4.42Å |
| 46 | S | 88.8 | Confident | 87.7 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.5 | -32.4 | -177.9 | -59.3 | 0 | 0 | 0 | 0 | 113 | S42 H43 | S42-S46 WeakPolarHBondContact O-CB 3.44Å; S42-S46 PolarHBondContact O-N 2.92Å; S42-S46 PolarHBondContact O-OG 3.44Å; H43-S46 WeakPolarHBondContact O-CA 3.15Å; H43-S46 WeakPolarHBondContact O-CB 3.35Å; H43-S46 PolarHBondContact O-N 3.43Å |
| 47 | V | 87.9 | Confident | 87.6 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 4.6 | 175.6 | -62.5 | 0 | 0 | 0 | 0 | 113.8 | H43 I45 Y49 | H43-V47 WeakPolarHBondContact O-CG2 3.45Å; H43-V47 PolarHBondContact O-N 3.46Å; I45-V47 VanDerWaalsContact C-N 3.27Å; I45-V47 PolarHBondContact O-N 3.09Å; V47-Y49 HydrophobicContact CB-CD2 3.99Å; V47-Y49 HydrophobicContact CB-CE2 4.16Å; V47-Y49 HydrophobicContact CG2-CD2 3.31Å; V47-Y49 HydrophobicContact CG2-CE2 3.92Å; V47-Y49 HydrophobicContact CG2-CG 4.25Å |
| 48 | G | 83.5 | Confident | 87.5 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 58% | 0.577 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 17.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L44 I45 | L44-G48 PolarHBondContact O-N 3.36Å; I45-G48 PolarHBondContact O-N 3.38Å |
| 49 | Y | 80.5 | Confident | 87.4 | Confident | 95 Ų | 95 | 66 Ų | 66 | 37% | 0.373 | 36% | 0.364 | S | S | . | . | trans | -96.8 | -11.6 | -177.1 | -72.1 | -56.3 | 0 | 0 | 0 | 114.6 | V8 L44 V47 | V8-Y49 WeakPolarHBondContact O-CB 3.41Å; L44-Y49 PolarHBondContact O-N 3.21Å; V47-Y49 HydrophobicContact CB-CD2 3.99Å; V47-Y49 HydrophobicContact CB-CE2 4.16Å; V47-Y49 HydrophobicContact CG2-CD2 3.31Å; V47-Y49 HydrophobicContact CG2-CE2 3.92Å; V47-Y49 HydrophobicContact CG2-CG 4.25Å | ||
| 50 | C | 75.7 | Confident | 87.3 | Confident | 17 Ų | 17 | 61 Ų | 61 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | trans | -120.5 | 110.2 | 176 | -164 | 0 | 0 | 0 | 0 | 110.5 | Y41 L44 I45 T52 | Y41-C50 HydrophobicContact CE2-CB 4.38Å; L44-C50 HydrophobicContact CB-CB 3.8Å; L44-C50 PolarHBondContact O-N 3.39Å; I45-C50 HydrophobicContact CD1-CB 4.27Å; I45-C50 WeakPolarHBondContact CD1-O 3.45Å; I45-C50 HydrophobicContact CG1-CB 4.42Å; C50-T52 PolarHBondContact SG-O 3.5Å | ||
| 51 | I | 71.7 | Confident | 87.3 | Confident | 163 Ų | 163 | 63.5 Ų | 63.5 | 84% | 0.836 | 35% | 0.351 | S | S | * | . | trans | -95 | -36.2 | 178.5 | -57.7 | 174.2 | 0 | 0 | 0 | 110.7 | ||||
| 52 | T | 82.3 | Confident | 87.3 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -103.6 | 126.5 | -177.3 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | C50 P54 | C50-T52 PolarHBondContact SG-O 3.5Å; T52-P54 VanDerWaalsContact O-CD 3.31Å; T52-P54 WeakPolarHBondContact O-CD 3.48Å |
| 53 | K | 86.1 | Confident | 87.2 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 37% | 0.365 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 122.1 | 176.2 | -176.9 | 171 | -82.6 | -168.1 | 0 | 110.7 | Y41 I57 S58 E61 | Y41-K53 HydrophobicContact CE1-CG 4.46Å; Y41-K53 HydrophobicContact CE2-CB 4.49Å; Y41-K53 HydrophobicContact CE2-CG 4.46Å; Y41-K53 WeakPolarHBondContact OH-CB 3.26Å; Y41-K53 WeakPolarHBondContact OH-CE 3.41Å; K53-I57 HydrophobicContact CD-CG2 4.12Å; K53-I57 HydrophobicContact CG-CB 4.22Å; K53-I57 HydrophobicContact CG-CG2 3.9Å; K53-S58 WeakPolarHBondContact CD-OG 3.43Å; K53-E61 IonicContact NZ-OE1 2.88Å; K53-E61 PolarHBondContact NZ-OE1 2.77Å; K53-E61 IonicContact NZ-OE2 3.86Å; K53-E61 PolarHBondContact NZ-OE2 3.28Å |
| 54 | P | 87.5 | Confident | 87.1 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 148.6 | 175.2 | -22 | 32.7 | 0 | 0 | 0 | 112.4 | F10 Y41 T52 V56 I57 S58 | F10-P54 HydrophobicContact CB-CG 4.12Å; F10-P54 HydrophobicContact CD1-CB 3.89Å; F10-P54 HydrophobicContact CD1-CG 3.48Å; F10-P54 VanDerWaalsContact CD1-CG 3.48Å; F10-P54 HydrophobicContact CD2-CG 4.16Å; F10-P54 HydrophobicContact CE1-CB 4.01Å; F10-P54 HydrophobicContact CE1-CG 3.89Å; F10-P54 HydrophobicContact CG-CG 3.65Å; F10-P54 HydrophobicContact CZ-CG 4.43Å; Y41-P54 HydrophobicContact CD2-CG 4.43Å; T52-P54 VanDerWaalsContact O-CD 3.31Å; T52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-V56 VanDerWaalsContact C-N 3.3Å; P54-V56 HydrophobicContact CB-CG1 4.03Å; P54-V56 PolarHBondContact O-N 3.24Å; P54-I57 HydrophobicContact CB-CB 4.36Å; P54-I57 HydrophobicContact CB-CG1 4.01Å; P54-I57 HydrophobicContact CG-CG1 3.94Å; P54-I57 WeakPolarHBondContact O-CB 3.48Å; P54-I57 PolarHBondContact O-N 3.44Å; P54-S58 PolarHBondContact O-N 3.42Å; P54-S58 VanDerWaalsContact O-N 3.13Å; P54-S58 PolarHBondContact O-OG 2.97Å |
| 55 | K | 88.4 | Confident | 86.9 | Confident | 132 Ų | 132 | 71.6 Ų | 71.6 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.8 | -42.8 | 176.7 | -70.4 | -174.2 | -177.8 | 175.4 | 0 | 111.9 | I57 S58 K59 D71 | K55-I57 VanDerWaalsContact C-N 3.3Å; K55-I57 PolarHBondContact O-N 3.31Å; K55-S58 WeakPolarHBondContact O-CB 3.47Å; K55-S58 PolarHBondContact O-N 2.99Å; K55-S58 VanDerWaalsContact O-N 3.1Å; K55-K59 PolarHBondContact O-N 3.25Å; K55-K59 VanDerWaalsContact O-N 3.07Å; K55-D71 IonicContact NZ-OD1 2.71Å |
| 56 | V | 88.4 | Confident | 86.7 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 178 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | F10 P54 S58 K59 L60 P66 | F10-V56 HydrophobicContact CE1-CG1 3.62Å; F10-V56 HydrophobicContact CZ-CG1 4.29Å; P54-V56 VanDerWaalsContact C-N 3.3Å; P54-V56 HydrophobicContact CB-CG1 4.03Å; P54-V56 PolarHBondContact O-N 3.24Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 3.15Å; V56-K59 PolarHBondContact O-N 3.41Å; V56-L60 HydrophobicContact CG2-CD1 4.01Å; V56-L60 HydrophobicContact CG2-CG 4.26Å; V56-L60 WeakPolarHBondContact O-CB 3.33Å; V56-L60 VanDerWaalsContact O-CG 3.26Å; V56-L60 WeakPolarHBondContact O-CG 3.41Å; V56-L60 PolarHBondContact O-N 3.43Å; V56-P66 HydrophobicContact CG2-CB 3.95Å |
| 57 | I | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 175 | -66.5 | -57.9 | 0 | 0 | 0 | 111.3 | F10 M37 L38 Y41 K53 P54 K55 K59 L60 E61 | F10-I57 HydrophobicContact CE1-CD1 4.34Å; F10-I57 HydrophobicContact CE1-CG1 4.13Å; F10-I57 HydrophobicContact CE2-CD1 3.78Å; F10-I57 HydrophobicContact CE2-CG1 3.95Å; F10-I57 HydrophobicContact CZ-CD1 3.42Å; F10-I57 VanDerWaalsContact CZ-CD1 3.42Å; F10-I57 HydrophobicContact CZ-CG1 3.59Å; M37-I57 HydrophobicContact CB-CD1 4.33Å; M37-I57 WeakPolarHBondContact O-CD1 3.36Å; L38-I57 HydrophobicContact CD2-CD1 4.34Å; L38-I57 HydrophobicContact CD2-CG2 4.24Å; Y41-I57 HydrophobicContact CD1-CG1 4.5Å; Y41-I57 HydrophobicContact CD1-CG2 3.64Å; Y41-I57 HydrophobicContact CD2-CG1 4.13Å; Y41-I57 HydrophobicContact CD2-CG2 4.45Å; Y41-I57 HydrophobicContact CE1-CG2 3.93Å; Y41-I57 HydrophobicContact CG-CB 4.49Å; Y41-I57 HydrophobicContact CG-CD1 4.18Å; Y41-I57 HydrophobicContact CG-CG1 3.91Å; Y41-I57 HydrophobicContact CG-CG2 3.91Å; K53-I57 HydrophobicContact CD-CG2 4.12Å; K53-I57 HydrophobicContact CG-CB 4.22Å; K53-I57 HydrophobicContact CG-CG2 3.9Å; P54-I57 HydrophobicContact CB-CB 4.36Å; P54-I57 HydrophobicContact CB-CG1 4.01Å; P54-I57 HydrophobicContact CG-CG1 3.94Å; P54-I57 WeakPolarHBondContact O-CB 3.48Å; P54-I57 PolarHBondContact O-N 3.44Å; K55-I57 VanDerWaalsContact C-N 3.3Å; K55-I57 PolarHBondContact O-N 3.31Å; I57-K59 VanDerWaalsContact C-N 3.25Å; I57-K59 PolarHBondContact O-N 2.79Å; I57-L60 PolarHBondContact O-N 2.96Å; I57-E61 HydrophobicContact CG2-CG 4.39Å; I57-E61 WeakPolarHBondContact O-CG 3.03Å; I57-E61 PolarHBondContact O-N 3.08Å |
| 58 | S | 90.9 | Very high | 85 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -33.7 | 179.6 | -55 | 0 | 0 | 0 | 0 | 112.7 | K53 P54 K55 V56 K62 | K53-S58 WeakPolarHBondContact CD-OG 3.43Å; P54-S58 PolarHBondContact O-N 3.42Å; P54-S58 VanDerWaalsContact O-N 3.13Å; P54-S58 PolarHBondContact O-OG 2.97Å; K55-S58 WeakPolarHBondContact O-CB 3.47Å; K55-S58 PolarHBondContact O-N 2.99Å; K55-S58 VanDerWaalsContact O-N 3.1Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 3.15Å; S58-K62 WeakPolarHBondContact O-CG 3.31Å |
| 59 | K | 91.4 | Very high | 83.5 | Confident | 18 Ų | 18 | 67 Ų | 67 | 8% | 0.078 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -74 | -46.8 | 174.9 | -66.5 | -177.9 | -165.3 | 175.8 | 0 | 111.4 | K55 V56 I57 E61 K62 G63 E64 E65 P66 S68 D71 | K55-K59 PolarHBondContact O-N 3.25Å; K55-K59 VanDerWaalsContact O-N 3.07Å; V56-K59 PolarHBondContact O-N 3.41Å; I57-K59 VanDerWaalsContact C-N 3.25Å; I57-K59 PolarHBondContact O-N 2.79Å; K59-E61 VanDerWaalsContact C-N 3.32Å; K59-E61 PolarHBondContact O-N 3.41Å; K59-K62 CarbonylContact O-C 3.58Å; K59-K62 WeakPolarHBondContact O-CA 3.38Å; K59-K62 WeakPolarHBondContact O-CB 3Å; K59-K62 PolarHBondContact O-N 3.38Å; K59-G63 PolarHBondContact O-N 3.03Å; K59-G63 VanDerWaalsContact O-N 3.15Å; K59-E64 HydrophobicContact CB-CB 4.02Å; K59-E64 PolarHBondContact O-N 3.36Å; K59-E65 WeakPolarHBondContact CD-O 3.41Å; K59-P66 WeakPolarHBondContact CD-O 3.28Å; K59-P66 PolarHBondContact NZ-O 3.31Å; K59-S68 WeakPolarHBondContact CE-OG 3.37Å; K59-S68 PolarHBondContact NZ-OG 3.23Å; K59-D71 IonicContact NZ-OD2 2.71Å; K59-D71 PolarHBondContact NZ-OD2 3.44Å |
| 60 | L | 92.4 | Very high | 82.1 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 179.8 | -69.4 | 177.9 | 0 | 0 | 0 | 112.8 | Y33 R34 M37 L38 V56 I57 K62 G63 P66 | Y33-L60 HydrophobicContact CD1-CD1 4.42Å; Y33-L60 HydrophobicContact CD1-CD2 4.29Å; Y33-L60 HydrophobicContact CE1-CD1 3.91Å; Y33-L60 HydrophobicContact CE1-CD2 4.12Å; R34-L60 HydrophobicContact CB-CD2 4.29Å; R34-L60 HydrophobicContact CG-CB 4.26Å; R34-L60 HydrophobicContact CG-CD2 4.22Å; R34-L60 VanDerWaalsContact CZ-O 3.23Å; R34-L60 PolarHBondContact NE-O 2.88Å; R34-L60 PolarHBondContact NH2-O 3.38Å; M37-L60 HydrophobicContact CB-CD1 3.58Å; M37-L60 HydrophobicContact CG-CD1 4.08Å; L38-L60 HydrophobicContact CD2-CB 4.2Å; L38-L60 HydrophobicContact CG-CB 4.44Å; V56-L60 HydrophobicContact CG2-CD1 4.01Å; V56-L60 HydrophobicContact CG2-CG 4.26Å; V56-L60 WeakPolarHBondContact O-CB 3.33Å; V56-L60 VanDerWaalsContact O-CG 3.26Å; V56-L60 WeakPolarHBondContact O-CG 3.41Å; V56-L60 PolarHBondContact O-N 3.43Å; I57-L60 PolarHBondContact O-N 2.96Å; L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 3.31Å; L60-G63 PolarHBondContact O-N 3.05Å; L60-G63 VanDerWaalsContact O-N 3.1Å; L60-P66 HydrophobicContact CD2-CG 4.37Å |
| 61 | E | 92.6 | Very high | 81.1 | Confident | 88 Ų | 88 | 70.1 Ų | 70.1 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 173 | -75.1 | 176.1 | 153.9 | 0 | 0 | 111.8 | R34 L38 K53 I57 K59 G63 | R34-E61 PolarHBondContact NH2-O 3.02Å; L38-E61 HydrophobicContact CD2-CG 3.66Å; K53-E61 IonicContact NZ-OE1 2.88Å; K53-E61 PolarHBondContact NZ-OE1 2.77Å; K53-E61 IonicContact NZ-OE2 3.86Å; K53-E61 PolarHBondContact NZ-OE2 3.28Å; I57-E61 HydrophobicContact CG2-CG 4.39Å; I57-E61 WeakPolarHBondContact O-CG 3.03Å; I57-E61 PolarHBondContact O-N 3.08Å; K59-E61 VanDerWaalsContact C-N 3.32Å; K59-E61 PolarHBondContact O-N 3.41Å; E61-G63 VanDerWaalsContact C-N 3.27Å; E61-G63 PolarHBondContact O-N 3.02Å |
| 62 | K | 92.1 | Very high | 80.2 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 65% | 0.648 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -78.5 | -7.8 | 177 | -61.9 | 175.1 | -173.6 | 177.3 | 0 | 113.9 | S58 K59 L60 E64 | S58-K62 WeakPolarHBondContact O-CG 3.31Å; K59-K62 CarbonylContact O-C 3.58Å; K59-K62 WeakPolarHBondContact O-CA 3.38Å; K59-K62 WeakPolarHBondContact O-CB 3Å; K59-K62 PolarHBondContact O-N 3.38Å; L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 3.31Å; K62-E64 VanDerWaalsContact C-N 3.31Å; K62-E64 HydrophobicContact CB-CG 4.01Å; K62-E64 WeakPolarHBondContact CD-OE1 3.4Å |
| 63 | G | 89.1 | Confident | 78.5 | Confident | 47 Ų | 47 | 67.3 Ų | 67.3 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 19.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K59 L60 E61 | K59-G63 PolarHBondContact O-N 3.03Å; K59-G63 VanDerWaalsContact O-N 3.15Å; L60-G63 PolarHBondContact O-N 3.05Å; L60-G63 VanDerWaalsContact O-N 3.1Å; E61-G63 VanDerWaalsContact C-N 3.27Å; E61-G63 PolarHBondContact O-N 3.02Å |
| 64 | E | 89.8 | Confident | 76.6 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | trans | -83.6 | 160.2 | 174 | -64.9 | 169.3 | -163.5 | 0 | 0 | 110.9 | K59 K62 | K59-E64 HydrophobicContact CB-CB 4.02Å; K59-E64 PolarHBondContact O-N 3.36Å; K62-E64 VanDerWaalsContact C-N 3.31Å; K62-E64 HydrophobicContact CB-CG 4.01Å; K62-E64 WeakPolarHBondContact CD-OE1 3.4Å | ||
| 65 | E | 85.9 | Confident | 75 | Confident | 84 Ų | 84 | 72.4 Ų | 72.4 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | trans | -71.1 | 153.9 | 174.9 | -67.1 | -151.9 | 152.2 | 0 | 0 | 112.4 | W22 R30 K59 W67 | W22-E65 PolarHBondContact NE1-OE1 3.38Å; R30-E65 IonicContact CZ-OE1 3.97Å; R30-E65 IonicContact NH1-OE1 3.09Å; R30-E65 PolarHBondContact NH1-OE1 3.05Å; R30-E65 VanDerWaalsContact NH1-OE1 3.09Å; K59-E65 WeakPolarHBondContact CD-O 3.41Å; E65-W67 PolarHBondContact O-N 3.18Å; E65-W67 PolarHBondContact OE2-NE1 2.88Å | ||
| 66 | P | 83.1 | Confident | 73 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 10% | 0.097 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -58.9 | -43 | -177.8 | -22.6 | 32.2 | 0 | 0 | 0 | 114 | W22 Y33 V56 K59 L60 | W22-P66 HydrophobicContact CE3-CG 4.46Å; W22-P66 HydrophobicContact CH2-CG 3.83Å; W22-P66 HydrophobicContact CZ2-CG 4.08Å; W22-P66 HydrophobicContact CZ3-CG 4.04Å; Y33-P66 HydrophobicContact CD1-CG 4.47Å; Y33-P66 HydrophobicContact CE1-CG 3.71Å; V56-P66 HydrophobicContact CG2-CB 3.95Å; K59-P66 WeakPolarHBondContact CD-O 3.28Å; K59-P66 PolarHBondContact NZ-O 3.31Å; L60-P66 HydrophobicContact CD2-CG 4.37Å |
| 67 | W | 76.6 | Confident | 71.2 | Confident | 64 Ų | 64 | 81.1 Ų | 81.1 | 24% | 0.242 | 40% | 0.396 | C | S | . | . | trans | -87.5 | 121.7 | 170.8 | 33 | 74.1 | 0 | 0 | 0 | 109.1 | R19 W22 E65 | R19-W67 HydrophobicContact CG-CD2 4.45Å; W22-W67 HydrophobicContact CB-CH2 3.23Å; W22-W67 HydrophobicContact CB-CZ2 3.31Å; W22-W67 HydrophobicContact CB-CZ3 4.14Å; W22-W67 AromaticContact CD1-CE2 3.82Å; W22-W67 AromaticContact CD1-CH2 3.91Å; W22-W67 AromaticContact CD1-CZ2 3.09Å; W22-W67 AromaticContact CD2-CH2 3.25Å; W22-W67 HydrophobicContact CD2-CH2 3.25Å; W22-W67 AromaticContact CD2-CZ2 3.15Å; W22-W67 HydrophobicContact CD2-CZ2 3.15Å; W22-W67 AromaticContact CE2-CH2 3.97Å; W22-W67 AromaticContact CE2-CZ2 3.45Å; W22-W67 VanDerWaalsContact CE2-CZ2 3.45Å; W22-W67 AromaticContact CE3-CH2 3.44Å; W22-W67 HydrophobicContact CE3-CH2 3.44Å; W22-W67 VanDerWaalsContact CE3-CH2 3.44Å; W22-W67 AromaticContact CE3-CZ2 3.84Å; W22-W67 HydrophobicContact CE3-CZ2 3.84Å; W22-W67 AromaticContact CG-CE2 3.92Å; W22-W67 AromaticContact CG-CH2 3.2Å; W22-W67 HydrophobicContact CG-CH2 3.2Å; W22-W67 AromaticContact CG-CZ2 2.88Å; W22-W67 HydrophobicContact CG-CZ2 2.88Å; W22-W67 HydrophobicContact CG-CZ3 4.44Å; W22-W67 HydrophobicContact CZ2-CZ2 4.3Å; W22-W67 HydrophobicContact CZ3-CH2 4.25Å; W22-W67 AromaticContact NE1-CZ2 3.41Å; E65-W67 PolarHBondContact O-N 3.18Å; E65-W67 PolarHBondContact OE2-NE1 2.88Å | ||
| 68 | S | 64.6 | Low | 68.8 | Low | 30 Ų | 30 | 90.1 Ų | 90.1 | 21% | 0.21 | 43% | 0.431 | C | S | . | . | trans | -100.2 | 152.3 | 162.3 | 68.6 | 0 | 0 | 0 | 0 | 107.5 | K59 E70 D71 | K59-S68 WeakPolarHBondContact CE-OG 3.37Å; K59-S68 PolarHBondContact NZ-OG 3.23Å; S68-E70 WeakPolarHBondContact CB-OE2 3.5Å; S68-E70 PolarHBondContact O-N 3.39Å; S68-E70 PolarHBondContact OG-OE2 3.17Å; S68-D71 PolarHBondContact O-N 3.28Å | ||
| 69 | L | 52.1 | Low | 66.7 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -55.5 | -25.6 | -179.6 | -72.9 | 166.3 | 0 | 0 | 0 | 112.1 | D71 E72 F73 | L69-D71 PolarHBondContact O-N 3.38Å; L69-E72 WeakPolarHBondContact O-CB 3.33Å; L69-E72 PolarHBondContact O-N 3.22Å; L69-F73 VanDerWaalsContact O-CD2 3.31Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å |
| 70 | E | 51.3 | Low | 65.5 | Low | 131 Ų | 131 | 101.7 Ų | 101.7 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -29 | 176.2 | -60.8 | 89.3 | -174.1 | 0 | 0 | 114.7 | S68 E72 F73 L74 | S68-E70 WeakPolarHBondContact CB-OE2 3.5Å; S68-E70 PolarHBondContact O-N 3.39Å; S68-E70 PolarHBondContact OG-OE2 3.17Å; E70-E72 VanDerWaalsContact C-N 3.27Å; E70-E72 PolarHBondContact O-N 3.32Å; E70-F73 PolarHBondContact O-N 3.24Å; E70-L74 PolarHBondContact O-N 3.34Å |
| 71 | D | 56.3 | Low | 64.1 | Low | 46 Ų | 46 | 106.8 Ų | 106.8 | 25% | 0.246 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -69.9 | -27.1 | 177 | -85.8 | -55.8 | 0 | 0 | 0 | 111.4 | K55 K59 S68 L69 N75 | K55-D71 IonicContact NZ-OD1 2.71Å; K59-D71 IonicContact NZ-OD2 2.71Å; K59-D71 PolarHBondContact NZ-OD2 3.44Å; S68-D71 PolarHBondContact O-N 3.28Å; L69-D71 PolarHBondContact O-N 3.38Å; D71-N75 PolarHBondContact O-N 2.87Å; D71-N75 PolarHBondContact O-ND2 2.76Å |
| 72 | E | 50.9 | Low | 62.5 | Low | 74 Ų | 74 | 107.8 Ų | 107.8 | 35% | 0.346 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.9 | -38.8 | 176.2 | -165.9 | 165.1 | -143.5 | 0 | 0 | 111.8 | R19 L69 E70 L74 N75 Q76 | R19-E72 IonicContact NH1-OE1 3.31Å; R19-E72 PolarHBondContact NH1-OE1 2.66Å; R19-E72 IonicContact NH1-OE2 3.88Å; R19-E72 PolarHBondContact NH1-OE2 3.39Å; L69-E72 WeakPolarHBondContact O-CB 3.33Å; L69-E72 PolarHBondContact O-N 3.22Å; E70-E72 VanDerWaalsContact C-N 3.27Å; E70-E72 PolarHBondContact O-N 3.32Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 3Å; E72-N75 PolarHBondContact O-N 3.03Å; E72-Q76 WeakPolarHBondContact O-CB 3.33Å; E72-Q76 WeakPolarHBondContact O-CG 3.4Å; E72-Q76 PolarHBondContact O-N 3.21Å; E72-Q76 VanDerWaalsContact O-N 3.09Å |
| 73 | F | 47.3 | Very low | 60.8 | Low | 144 Ų | 144 | 105.4 Ų | 105.4 | 63% | 0.632 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.9 | -28.5 | 177 | -80.5 | -78.4 | 0 | 0 | 0 | 113.9 | L69 E70 R77 | L69-F73 VanDerWaalsContact O-CD2 3.31Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; E70-F73 PolarHBondContact O-N 3.24Å; F73-R77 WeakPolarHBondContact O-CB 3.32Å |
| 74 | L | 47.3 | Very low | 59 | Low | 84 Ų | 84 | 109.1 Ų | 109.1 | 44% | 0.44 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -80.3 | -37.5 | 177.7 | -68.3 | 175.6 | 0 | 0 | 0 | 111.7 | E70 E72 R77 Y78 | E70-L74 PolarHBondContact O-N 3.34Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 3Å; L74-R77 PolarHBondContact O-N 3.19Å; L74-Y78 WeakPolarHBondContact O-CD2 3.44Å |
| 75 | N | 52.1 | Low | 56.9 | Low | 133 Ų | 133 | 110.2 Ų | 110.2 | 71% | 0.711 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.8 | -23.7 | 177.4 | -71.5 | -25.9 | 0 | 0 | 0 | 113.5 | D71 E72 | D71-N75 PolarHBondContact O-N 2.87Å; D71-N75 PolarHBondContact O-ND2 2.76Å; E72-N75 PolarHBondContact O-N 3.03Å |
| 76 | Q | 47.8 | Very low | 54.9 | Low | 150 Ų | 150 | 112.1 Ų | 112.1 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6.7 | 173.3 | -69 | -173.3 | 31 | 0 | 0 | 114 | E72 | E72-Q76 WeakPolarHBondContact O-CB 3.33Å; E72-Q76 WeakPolarHBondContact O-CG 3.4Å; E72-Q76 PolarHBondContact O-N 3.21Å; E72-Q76 VanDerWaalsContact O-N 3.09Å |
| 77 | R | 49.3 | Very low | 52.7 | Low | 200 Ų | 200 | 119.5 Ų | 119.5 | 76% | 0.755 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -93.2 | -1.5 | -177 | -106.6 | -177.7 | 173.5 | 179.8 | -0.2 | 115.1 | F73 L74 | F73-R77 WeakPolarHBondContact O-CB 3.32Å; L74-R77 PolarHBondContact O-N 3.19Å |
| 78 | Y | 43 | Very low | 50.7 | Low | 189 Ų | 189 | 124.2 Ų | 124.2 | 74% | 0.741 | 61% | 0.605 | S | S | * | * | trans | -114.4 | 116.4 | 173.9 | -68.4 | -79.8 | 0 | 0 | 0 | 109.3 | L74 | L74-Y78 WeakPolarHBondContact O-CD2 3.44Š| ||
| 79 | P | 46.6 | Very low | 49.4 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 100% | 1.286 | 64% | 0.641 | S | S | * | * | trans | -72.1 | 0 | 169.8 | 32.4 | -33.6 | 0 | 0 | 0 | 112 |
Retrieved 79 of 79 residues in 210.4 ms
(Link to these results)