| 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 | 41.5 | Very low | 72.1 | Confident | 222 Ų | 222 | 106.7 Ų | 106.7 | 100% | 1.094 | 52% | 0.515 | S | S | * | . | 0 | 117.2 | 0 | -166.1 | 163.1 | 178.1 | 0 | 0 | 106.4 | E3 | M1-E3 PolarHBondContact O-N 3.45Š| |||
| 2 | F | 51.1 | Low | 74 | Confident | 217 Ų | 217 | 99.6 Ų | 99.6 | 95% | 0.952 | 48% | 0.479 | S | S | * | . | trans | -86 | 105.6 | 176.5 | -80.6 | -85.7 | 0 | 0 | 0 | 108.1 | ||||
| 3 | E | 54.1 | Low | 75.6 | Confident | 166 Ų | 166 | 95.2 Ų | 95.2 | 78% | 0.776 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 118.4 | 170.5 | -70.4 | 179.2 | -174.7 | 0 | 0 | 108.4 | M1 | M1-E3 PolarHBondContact O-N 3.45Š|
| 4 | R | 58.8 | Low | 77 | Confident | 217 Ų | 217 | 95.2 Ų | 95.2 | 82% | 0.819 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 124.2 | 173.8 | 172.1 | 168.1 | 55.6 | -121.2 | -2.2 | 107.4 | V6 | R4-V6 PolarHBondContact O-N 3.33Š|
| 5 | P | 66.7 | Low | 78.3 | Confident | 120 Ų | 120 | 91.7 Ų | 91.7 | 78% | 0.779 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 119.8 | 178.1 | 21.5 | -31.3 | 0 | 0 | 0 | 108.5 | N7 | P5-N7 PolarHBondContact O-N 2.67Š|
| 6 | V | 69 | Low | 79.3 | Confident | 90 Ų | 90 | 89.5 Ų | 89.5 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 124.9 | 179.9 | -179 | 0 | 0 | 0 | 0 | 107.2 | R4 E8 E39 | R4-V6 PolarHBondContact O-N 3.33Å; V6-E8 PolarHBondContact O-N 3.35Å; V6-E39 WeakPolarHBondContact CG1-O 3.36Å |
| 7 | N | 84.4 | Confident | 80.3 | Confident | 38 Ų | 38 | 87 Ų | 87 | 20% | 0.203 | 43% | 0.426 | C | S | . | . | trans | -74.4 | 96.9 | 170.3 | -174.5 | -24.3 | 0 | 0 | 0 | 108 | P5 V9 H10 A11 L73 S75 | P5-N7 PolarHBondContact O-N 2.67Å; N7-V9 PolarHBondContact O-N 3.25Å; N7-V9 WeakPolarHBondContact OD1-CB 3.48Å; N7-V9 PolarHBondContact OD1-N 3.46Å; N7-V9 VanDerWaalsContact OD1-N 3.13Å; N7-H10 HydrophobicContact CB-CB 3.8Å; N7-H10 WeakPolarHBondContact O-CB 3.33Å; N7-H10 PolarHBondContact O-N 3.28Å; N7-H10 VanDerWaalsContact O-N 3.07Å; N7-H10 PolarHBondContact OD1-N 3.29Å; N7-H10 VanDerWaalsContact OD1-N 3.09Å; N7-A11 PolarHBondContact O-N 3.2Å; N7-L73 PolarHBondContact ND2-O 2.65Å; N7-S75 PolarHBondContact ND2-O 3.29Å | ||
| 8 | E | 89 | Confident | 81.2 | Confident | 22 Ų | 22 | 85.1 Ų | 85.1 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -55.4 | -40.2 | -179 | -64.6 | -175.8 | 168.4 | 0 | 0 | 111.5 | V6 H10 A11 R12 N41 K43 | V6-E8 PolarHBondContact O-N 3.35Å; E8-H10 VanDerWaalsContact C-N 3.32Å; E8-H10 PolarHBondContact O-N 3.29Å; E8-A11 PolarHBondContact O-N 3.1Å; E8-R12 WeakPolarHBondContact O-CB 3.41Å; E8-R12 WeakPolarHBondContact O-CG 3.43Å; E8-R12 PolarHBondContact O-N 3.5Å; E8-N41 HydrophobicContact CG-CB 4.25Å; E8-N41 PolarHBondContact OE1-ND2 3.41Å; E8-K43 IonicContact OE2-NZ 3.24Å |
| 9 | V | 92.1 | Very high | 82 | Confident | 2 Ų | 2 | 88.6 Ų | 88.6 | 1% | 0.012 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.7 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | N7 Y13 V60 L83 | N7-V9 PolarHBondContact O-N 3.25Å; N7-V9 WeakPolarHBondContact OD1-CB 3.48Å; N7-V9 PolarHBondContact OD1-N 3.46Å; N7-V9 VanDerWaalsContact OD1-N 3.13Å; V9-Y13 VanDerWaalsContact O-CB 3.22Å; V9-Y13 WeakPolarHBondContact O-CB 3.28Å; V9-Y13 PolarHBondContact O-N 3.22Å; V9-V60 HydrophobicContact CG1-CB 4.44Å; V9-V60 HydrophobicContact CG1-CG1 4.22Å; V9-V60 HydrophobicContact CG1-CG2 3.88Å; V9-L83 HydrophobicContact CG1-CD1 4.31Å; V9-L83 HydrophobicContact CG2-CD1 4.07Å |
| 10 | H | 93.7 | Very high | 82.8 | Confident | 77 Ų | 77 | 88.6 Ų | 88.6 | 36% | 0.356 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.4 | -175.4 | 80.8 | 0 | 0 | 0 | 112.4 | N7 E8 R12 Y13 R14 L73 | N7-H10 HydrophobicContact CB-CB 3.8Å; N7-H10 WeakPolarHBondContact O-CB 3.33Å; N7-H10 PolarHBondContact O-N 3.28Å; N7-H10 VanDerWaalsContact O-N 3.07Å; N7-H10 PolarHBondContact OD1-N 3.29Å; N7-H10 VanDerWaalsContact OD1-N 3.09Å; E8-H10 VanDerWaalsContact C-N 3.32Å; E8-H10 PolarHBondContact O-N 3.29Å; H10-R12 PolarHBondContact O-N 3.4Å; H10-Y13 PolarHBondContact O-N 2.94Å; H10-R14 WeakPolarHBondContact NE2-CD 3.3Å; H10-R14 WeakPolarHBondContact O-CG 3.41Å; H10-R14 PolarHBondContact O-N 3.49Å; H10-L73 HydrophobicContact CB-CD2 4.39Å |
| 11 | A | 93.3 | Very high | 83.5 | Confident | 3 Ų | 3 | 89.7 Ų | 89.7 | 3% | 0.025 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N7 E8 R14 L15 E39 | N7-A11 PolarHBondContact O-N 3.2Å; E8-A11 PolarHBondContact O-N 3.1Å; A11-R14 WeakPolarHBondContact O-CB 3.41Å; A11-R14 PolarHBondContact O-N 3.47Å; A11-L15 PolarHBondContact O-N 3.02Å; A11-L15 VanDerWaalsContact O-N 3.07Å; A11-E39 HydrophobicContact CB-CB 3.97Å; A11-E39 WeakPolarHBondContact CB-O 3.38Å |
| 12 | R | 94.6 | Very high | 86.1 | Confident | 21 Ų | 21 | 84.5 Ų | 84.5 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 177.4 | -69.8 | -167.7 | -177 | -162.9 | 4.3 | 112.7 | E8 H10 R14 L15 A16 C40 E53 D57 | E8-R12 WeakPolarHBondContact O-CB 3.41Å; E8-R12 WeakPolarHBondContact O-CG 3.43Å; E8-R12 PolarHBondContact O-N 3.5Å; H10-R12 PolarHBondContact O-N 3.4Å; R12-R14 PolarHBondContact O-N 3.41Å; R12-L15 PolarHBondContact O-N 3.41Å; R12-A16 WeakPolarHBondContact O-CB 3.46Å; R12-A16 PolarHBondContact O-N 2.98Å; R12-C40 HydrophobicContact CG-CB 4Å; R12-E53 IonicContact CZ-OE2 2.82Å; R12-E53 VanDerWaalsContact CZ-OE2 3.24Å; R12-E53 IonicContact NH1-OE2 3.55Å; R12-E53 PolarHBondContact NH1-OE2 3.23Å; R12-E53 IonicContact NH2-OE2 3.29Å; R12-E53 PolarHBondContact NH2-OE2 2.84Å; R12-D57 WeakPolarHBondContact CD-OD2 3.08Å; R12-D57 IonicContact CZ-OD2 2.73Å; R12-D57 IonicContact NE-OD2 2.98Å; R12-D57 IonicContact NH1-OD2 2.89Å; R12-D57 PolarHBondContact NH1-OD2 3.08Å |
| 13 | Y | 95.1 | Very high | 88.3 | Confident | 43 Ų | 43 | 78.3 Ų | 78.3 | 17% | 0.169 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 173.2 | 171.8 | -96.1 | 0 | 0 | 0 | 111.6 | V9 H10 L15 A16 T17 V60 R69 L73 | V9-Y13 VanDerWaalsContact O-CB 3.22Å; V9-Y13 WeakPolarHBondContact O-CB 3.28Å; V9-Y13 PolarHBondContact O-N 3.22Å; H10-Y13 PolarHBondContact O-N 2.94Å; Y13-L15 VanDerWaalsContact C-N 3.34Å; Y13-L15 PolarHBondContact O-N 2.76Å; Y13-A16 PolarHBondContact O-N 3.1Å; Y13-T17 HydrophobicContact CD2-CG2 3.78Å; Y13-T17 HydrophobicContact CE1-CG2 4.3Å; Y13-T17 HydrophobicContact CE2-CG2 3.36Å; Y13-T17 HydrophobicContact CG-CG2 4.4Å; Y13-T17 WeakPolarHBondContact O-CB 3.3Å; Y13-T17 WeakPolarHBondContact O-CG2 3.33Å; Y13-T17 PolarHBondContact O-N 3.41Å; Y13-T17 PolarHBondContact O-OG1 3.31Å; Y13-V60 HydrophobicContact CD2-CG1 4.05Å; Y13-R69 HydrophobicContact CE2-CG 4.29Å; Y13-R69 WeakPolarHBondContact OH-CD 3.25Å; Y13-R69 PolarHBondContact OH-NH1 3.33Å; Y13-L73 HydrophobicContact CD1-CD1 3.73Å; Y13-L73 HydrophobicContact CD1-CD2 3.91Å; Y13-L73 HydrophobicContact CD2-CD2 4.35Å; Y13-L73 HydrophobicContact CE1-CD1 3.77Å; Y13-L73 HydrophobicContact CG-CD1 4.14Å; Y13-L73 HydrophobicContact CG-CD2 3.69Å |
| 14 | R | 95.3 | Very high | 90.3 | Very high | 95 Ų | 95 | 72 Ų | 72 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 176.2 | -71.8 | 178.9 | 69.1 | -155.8 | 1.6 | 111.5 | H10 A11 R12 R18 L36 E39 | H10-R14 WeakPolarHBondContact NE2-CD 3.3Å; H10-R14 WeakPolarHBondContact O-CG 3.41Å; H10-R14 PolarHBondContact O-N 3.49Å; A11-R14 WeakPolarHBondContact O-CB 3.41Å; A11-R14 PolarHBondContact O-N 3.47Å; R12-R14 PolarHBondContact O-N 3.41Å; R14-R18 WeakPolarHBondContact O-CB 3.29Å; R14-R18 PolarHBondContact O-N 3.47Å; R14-R18 VanDerWaalsContact O-N 3.14Å; R14-L36 HydrophobicContact CB-CD2 4.31Å; R14-E39 IonicContact CZ-OE2 3.66Å; R14-E39 VanDerWaalsContact NH1-CD 3.33Å; R14-E39 IonicContact NH1-OE1 3.89Å; R14-E39 PolarHBondContact NH1-OE1 3.4Å; R14-E39 VanDerWaalsContact NH1-OE1 3.1Å; R14-E39 IonicContact NH1-OE2 2.7Å; R14-E39 PolarHBondContact NH1-OE2 3.48Å |
| 15 | L | 96.1 | Very high | 92.2 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 23% | 0.225 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 176.5 | -179.6 | 64.9 | 0 | 0 | 0 | 111.8 | A11 R12 Y13 T17 L33 L36 F42 | A11-L15 PolarHBondContact O-N 3.02Å; A11-L15 VanDerWaalsContact O-N 3.07Å; R12-L15 PolarHBondContact O-N 3.41Å; Y13-L15 VanDerWaalsContact C-N 3.34Å; Y13-L15 PolarHBondContact O-N 2.76Å; L15-T17 PolarHBondContact O-N 2.9Å; L15-L33 HydrophobicContact CD1-CB 4.24Å; L15-L33 HydrophobicContact CD1-CD2 3.95Å; L15-L33 WeakPolarHBondContact CD1-O 3.42Å; L15-L36 HydrophobicContact CB-CB 4.37Å; L15-L36 HydrophobicContact CD1-CB 3.98Å; L15-F42 HydrophobicContact CD2-CZ 4.24Å |
| 16 | A | 94.8 | Very high | 93.7 | Very high | 56 Ų | 56 | 63.2 Ų | 63.2 | 46% | 0.463 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.8 | -31.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | R12 Y13 | R12-A16 WeakPolarHBondContact O-CB 3.46Å; R12-A16 PolarHBondContact O-N 2.98Å; Y13-A16 PolarHBondContact O-N 3.1Å |
| 17 | T | 95.4 | Very high | 95.1 | Very high | 47 Ų | 47 | 65 Ų | 65 | 29% | 0.288 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -94.2 | -7.8 | -178.2 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | Y13 L15 K19 | Y13-T17 HydrophobicContact CD2-CG2 3.78Å; Y13-T17 HydrophobicContact CE1-CG2 4.3Å; Y13-T17 HydrophobicContact CE2-CG2 3.36Å; Y13-T17 HydrophobicContact CG-CG2 4.4Å; Y13-T17 WeakPolarHBondContact O-CB 3.3Å; Y13-T17 WeakPolarHBondContact O-CG2 3.33Å; Y13-T17 PolarHBondContact O-N 3.41Å; Y13-T17 PolarHBondContact O-OG1 3.31Å; L15-T17 PolarHBondContact O-N 2.9Å; T17-K19 PolarHBondContact O-N 3.38Å |
| 18 | R | 96.8 | Very high | 95.7 | Very high | 53 Ų | 53 | 66.5 Ų | 66.5 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | trans | -61.1 | 124.2 | 174.8 | -175.8 | 49.8 | 166.5 | 86.1 | 5.5 | 109.5 | R14 E24 Y29 L33 L36 | R14-R18 WeakPolarHBondContact O-CB 3.29Å; R14-R18 PolarHBondContact O-N 3.47Å; R14-R18 VanDerWaalsContact O-N 3.14Å; R18-E24 IonicContact CZ-OE1 3.98Å; R18-E24 IonicContact CZ-OE2 2.75Å; R18-E24 IonicContact NH1-OE1 2.98Å; R18-E24 IonicContact NH1-OE2 3.96Å; R18-E24 PolarHBondContact NH1-OE2 3Å; R18-E24 IonicContact NH2-OE1 2.64Å; R18-E24 PolarHBondContact NH2-OE1 2.78Å; R18-E24 IonicContact NH2-OE2 3.1Å; R18-E24 PolarHBondContact NH2-OE2 3.34Å; R18-Y29 HydrophobicContact CG-CE2 4.01Å; R18-Y29 PolarHBondContact O-OH 3.44Å; R18-L33 HydrophobicContact CB-CD2 3.87Å; R18-L33 HydrophobicContact CG-CD2 3.84Å; R18-L36 HydrophobicContact CB-CD1 3.89Å; R18-L36 HydrophobicContact CG-CD1 3.89Å | ||
| 19 | K | 97 | Very high | 96.1 | Very high | 152 Ų | 152 | 67.7 Ų | 67.7 | 66% | 0.661 | 37% | 0.373 | S | S | * | . | trans | -115.9 | 142.8 | 175 | -59.3 | -56.4 | -178.4 | -171.4 | 0 | 109.4 | T17 L21 | T17-K19 PolarHBondContact O-N 3.38Å; K19-L21 PolarHBondContact O-N 3.48Å | ||
| 20 | Q | 98 | Very high | 96.4 | Very high | 88 Ų | 88 | 70.9 Ų | 70.9 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 134.5 | 176.7 | -173.1 | 177 | 9.2 | 0 | 0 | 110.5 | E24 Y29 | Q20-E24 WeakPolarHBondContact CA-OE2 3.39Å; Q20-E24 HydrophobicContact CG-CB 4.19Å; Q20-E24 HydrophobicContact CG-CG 4.49Å; Q20-E24 PolarHBondContact NE2-O 2.88Å; Q20-Y29 HydrophobicContact CB-CD1 4.22Å; Q20-Y29 HydrophobicContact CB-CD2 3.87Å; Q20-Y29 HydrophobicContact CB-CE1 4.32Å; Q20-Y29 HydrophobicContact CB-CE2 3.98Å; Q20-Y29 HydrophobicContact CB-CG 3.99Å; Q20-Y29 HydrophobicContact CG-CD1 4.48Å; Q20-Y29 HydrophobicContact CG-CD2 4.25Å; Q20-Y29 HydrophobicContact CG-CG 4.06Å; Q20-Y29 VanDerWaalsContact N-CE2 3.27Å |
| 21 | L | 96.6 | Very high | 96.6 | Very high | 112 Ų | 112 | 74.5 Ų | 74.5 | 59% | 0.586 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -81 | 156.7 | 178.6 | -58.5 | 174.9 | 0 | 0 | 0 | 111 | K19 G23 E24 | K19-L21 PolarHBondContact O-N 3.48Å; L21-G23 PolarHBondContact O-N 3.38Å; L21-E24 HydrophobicContact CB-CB 4Å; L21-E24 PolarHBondContact N-OE2 3.42Å; L21-E24 WeakPolarHBondContact O-CB 3.23Å; L21-E24 PolarHBondContact O-N 3.28Å; L21-E24 VanDerWaalsContact O-N 3.13Å |
| 22 | A | 96.9 | Very high | 96.8 | Very high | 112 Ų | 112 | 75.6 Ų | 75.6 | 93% | 0.926 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 121.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E24 | A22-E24 VanDerWaalsContact C-N 3.35Š|
| 23 | G | 96.7 | Very high | 96.9 | Very high | 88 Ų | 88 | 76.6 Ų | 76.6 | 91% | 0.907 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -0.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L21 | L21-G23 PolarHBondContact O-N 3.38Š|
| 24 | E | 96.9 | Very high | 97 | Very high | 34 Ų | 34 | 81.3 Ų | 81.3 | 16% | 0.159 | 44% | 0.441 | C | S | . | . | trans | -75.1 | 127.9 | 173.6 | -178.3 | 174.3 | -139.5 | 0 | 0 | 110.3 | R18 Q20 L21 A22 D28 | R18-E24 IonicContact CZ-OE1 3.98Å; R18-E24 IonicContact CZ-OE2 2.75Å; R18-E24 IonicContact NH1-OE1 2.98Å; R18-E24 IonicContact NH1-OE2 3.96Å; R18-E24 PolarHBondContact NH1-OE2 3Å; R18-E24 IonicContact NH2-OE1 2.64Å; R18-E24 PolarHBondContact NH2-OE1 2.78Å; R18-E24 IonicContact NH2-OE2 3.1Å; R18-E24 PolarHBondContact NH2-OE2 3.34Å; Q20-E24 WeakPolarHBondContact CA-OE2 3.39Å; Q20-E24 HydrophobicContact CG-CB 4.19Å; Q20-E24 HydrophobicContact CG-CG 4.49Å; Q20-E24 PolarHBondContact NE2-O 2.88Å; L21-E24 HydrophobicContact CB-CB 4Å; L21-E24 PolarHBondContact N-OE2 3.42Å; L21-E24 WeakPolarHBondContact O-CB 3.23Å; L21-E24 PolarHBondContact O-N 3.28Å; L21-E24 VanDerWaalsContact O-N 3.13Å; A22-E24 VanDerWaalsContact C-N 3.35Å; E24-D28 HydrophobicContact CG-CB 3.95Å | ||
| 25 | S | 97.9 | Very high | 97 | Very high | 40 Ų | 40 | 79.8 Ų | 79.8 | 28% | 0.28 | 45% | 0.448 | S | S | . | . | trans | -66 | 158.4 | 174.6 | 74 | 0 | 0 | 0 | 0 | 111.3 | E27 D28 Y29 | S25-E27 VanDerWaalsContact C-N 3.25Å; S25-E27 PolarHBondContact O-N 3.31Å; S25-D28 PolarHBondContact O-N 2.85Å; S25-D28 VanDerWaalsContact OG-CB 3.31Å; S25-D28 WeakPolarHBondContact OG-CB 3.33Å; S25-D28 PolarHBondContact OG-N 3.17Å; S25-D28 VanDerWaalsContact OG-N 3.08Å; S25-D28 PolarHBondContact OG-OD2 2.9Å; S25-Y29 WeakPolarHBondContact O-CB 3.49Å; S25-Y29 PolarHBondContact O-N 3.26Å | ||
| 26 | L | 97.8 | Very high | 97 | Very high | 112 Ų | 112 | 78.7 Ų | 78.7 | 59% | 0.586 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.4 | -37 | 178 | -68.3 | 174.4 | 0 | 0 | 0 | 111.2 | Y29 V30 | L26-Y29 PolarHBondContact O-N 3.43Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3.02Å |
| 27 | E | 97.9 | Very high | 96.9 | Very high | 127 Ų | 127 | 77.9 Ų | 77.9 | 59% | 0.593 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 178.3 | -63.4 | 75.2 | -168.8 | 0 | 0 | 111.4 | S25 R31 | S25-E27 VanDerWaalsContact C-N 3.25Å; S25-E27 PolarHBondContact O-N 3.31Å; E27-R31 VanDerWaalsContact O-CB 3.3Å; E27-R31 WeakPolarHBondContact O-CB 3.3Å; E27-R31 PolarHBondContact O-N 2.94Å |
| 28 | D | 97.8 | Very high | 96.8 | Very high | 69 Ų | 69 | 79.7 Ų | 79.7 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 176.2 | -65 | -32.8 | 0 | 0 | 0 | 110.9 | E24 S25 R31 A32 | E24-D28 HydrophobicContact CG-CB 3.95Å; S25-D28 PolarHBondContact O-N 2.85Å; S25-D28 VanDerWaalsContact OG-CB 3.31Å; S25-D28 WeakPolarHBondContact OG-CB 3.33Å; S25-D28 PolarHBondContact OG-N 3.17Å; S25-D28 VanDerWaalsContact OG-N 3.08Å; S25-D28 PolarHBondContact OG-OD2 2.9Å; D28-R31 WeakPolarHBondContact O-CB 3.37Å; D28-R31 PolarHBondContact O-N 3.24Å; D28-R31 IonicContact OD1-CZ 3.96Å; D28-R31 IonicContact OD1-NH1 3.91Å; D28-R31 PolarHBondContact OD1-NH1 2.88Å; D28-R31 IonicContact OD1-NH2 3.85Å; D28-A32 WeakPolarHBondContact O-CB 3.35Å; D28-A32 PolarHBondContact O-N 3.38Å |
| 29 | Y | 98.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 81 Ų | 81 | 19% | 0.188 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 176.6 | -179 | -123 | 0 | 0 | 0 | 111.8 | R18 Q20 S25 L26 R31 A32 L33 | R18-Y29 HydrophobicContact CG-CE2 4.01Å; R18-Y29 PolarHBondContact O-OH 3.44Å; Q20-Y29 HydrophobicContact CB-CD1 4.22Å; Q20-Y29 HydrophobicContact CB-CD2 3.87Å; Q20-Y29 HydrophobicContact CB-CE1 4.32Å; Q20-Y29 HydrophobicContact CB-CE2 3.98Å; Q20-Y29 HydrophobicContact CB-CG 3.99Å; Q20-Y29 HydrophobicContact CG-CD1 4.48Å; Q20-Y29 HydrophobicContact CG-CD2 4.25Å; Q20-Y29 HydrophobicContact CG-CG 4.06Å; Q20-Y29 VanDerWaalsContact N-CE2 3.27Å; S25-Y29 WeakPolarHBondContact O-CB 3.49Å; S25-Y29 PolarHBondContact O-N 3.26Å; L26-Y29 PolarHBondContact O-N 3.43Å; Y29-R31 VanDerWaalsContact C-N 3.33Å; Y29-R31 PolarHBondContact O-N 3.37Å; Y29-A32 WeakPolarHBondContact O-CB 3.37Å; Y29-A32 PolarHBondContact O-N 2.91Å; Y29-L33 HydrophobicContact CD1-CD1 4.05Å; Y29-L33 HydrophobicContact CD2-CG 4.47Å; Y29-L33 HydrophobicContact CE1-CD1 3.6Å; Y29-L33 HydrophobicContact CE1-CG 4.35Å; Y29-L33 HydrophobicContact CE2-CD1 4.26Å; Y29-L33 HydrophobicContact CE2-CD2 4.21Å; Y29-L33 HydrophobicContact CE2-CG 4.15Å; Y29-L33 WeakPolarHBondContact O-CG 3.12Å; Y29-L33 PolarHBondContact O-N 3.43Å |
| 30 | V | 97.7 | Very high | 96.1 | Very high | 69 Ų | 69 | 73.8 Ų | 73.8 | 42% | 0.418 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.1 | 171 | 0 | 0 | 0 | 0 | 111.4 | L26 A32 L33 K34 | L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3.02Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-L33 PolarHBondContact O-N 3.32Å; V30-K34 HydrophobicContact CG1-CD 4.3Å; V30-K34 HydrophobicContact CG1-CG 4.47Å; V30-K34 WeakPolarHBondContact O-CB 3.37Å; V30-K34 WeakPolarHBondContact O-CG 3.36Å; V30-K34 PolarHBondContact O-N 3.03Å |
| 31 | R | 97.5 | Very high | 95.6 | Very high | 152 Ų | 152 | 74 Ų | 74 | 57% | 0.574 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 174.9 | -170 | -176.9 | -57.6 | 115.6 | 6.2 | 111.1 | E27 D28 Y29 K34 A35 | E27-R31 VanDerWaalsContact O-CB 3.3Å; E27-R31 WeakPolarHBondContact O-CB 3.3Å; E27-R31 PolarHBondContact O-N 2.94Å; D28-R31 WeakPolarHBondContact O-CB 3.37Å; D28-R31 PolarHBondContact O-N 3.24Å; D28-R31 IonicContact OD1-CZ 3.96Å; D28-R31 IonicContact OD1-NH1 3.91Å; D28-R31 PolarHBondContact OD1-NH1 2.88Å; D28-R31 IonicContact OD1-NH2 3.85Å; Y29-R31 VanDerWaalsContact C-N 3.33Å; Y29-R31 PolarHBondContact O-N 3.37Å; R31-K34 PolarHBondContact O-N 3.4Å; R31-A35 PolarHBondContact O-N 3.35Å |
| 32 | A | 96.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 74.9 Ų | 74.9 | 22% | 0.215 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | D28 Y29 V30 K34 A35 L36 | D28-A32 WeakPolarHBondContact O-CB 3.35Å; D28-A32 PolarHBondContact O-N 3.38Å; Y29-A32 WeakPolarHBondContact O-CB 3.37Å; Y29-A32 PolarHBondContact O-N 2.91Å; V30-A32 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.22Å; A32-A35 PolarHBondContact O-N 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.43Å; A32-L36 PolarHBondContact O-N 3.26Å |
| 33 | L | 97.6 | Very high | 94.9 | Very high | 43 Ų | 43 | 75 Ų | 75 | 23% | 0.225 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 175 | -69.4 | 176.7 | 0 | 0 | 0 | 111.8 | L15 R18 Y29 V30 A35 L36 S37 | L15-L33 HydrophobicContact CD1-CB 4.24Å; L15-L33 HydrophobicContact CD1-CD2 3.95Å; L15-L33 WeakPolarHBondContact CD1-O 3.42Å; R18-L33 HydrophobicContact CB-CD2 3.87Å; R18-L33 HydrophobicContact CG-CD2 3.84Å; Y29-L33 HydrophobicContact CD1-CD1 4.05Å; Y29-L33 HydrophobicContact CD2-CG 4.47Å; Y29-L33 HydrophobicContact CE1-CD1 3.6Å; Y29-L33 HydrophobicContact CE1-CG 4.35Å; Y29-L33 HydrophobicContact CE2-CD1 4.26Å; Y29-L33 HydrophobicContact CE2-CD2 4.21Å; Y29-L33 HydrophobicContact CE2-CG 4.15Å; Y29-L33 WeakPolarHBondContact O-CG 3.12Å; Y29-L33 PolarHBondContact O-N 3.43Å; V30-L33 PolarHBondContact O-N 3.32Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.16Å; L33-L36 PolarHBondContact O-N 2.99Å; L33-S37 WeakPolarHBondContact O-CB 3.48Å; L33-S37 PolarHBondContact O-N 2.66Å |
| 34 | K | 96.7 | Very high | 94.8 | Very high | 142 Ų | 142 | 76 Ų | 76 | 62% | 0.617 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 175.3 | -76.2 | -179.8 | 177.9 | -178.6 | 0 | 112.1 | V30 R31 A32 S37 A38 | V30-K34 HydrophobicContact CG1-CD 4.3Å; V30-K34 HydrophobicContact CG1-CG 4.47Å; V30-K34 WeakPolarHBondContact O-CB 3.37Å; V30-K34 WeakPolarHBondContact O-CG 3.36Å; V30-K34 PolarHBondContact O-N 3.03Å; R31-K34 PolarHBondContact O-N 3.4Å; A32-K34 PolarHBondContact O-N 3.22Å; K34-S37 WeakPolarHBondContact CA-OG 3.41Å; K34-S37 PolarHBondContact O-N 3.4Å; K34-S37 PolarHBondContact O-OG 3.42Å; K34-A38 PolarHBondContact O-N 2.97Å |
| 35 | A | 95.5 | Very high | 94.6 | Very high | 63 Ų | 63 | 76.5 Ų | 76.5 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R31 A32 L33 S37 A38 | R31-A35 PolarHBondContact O-N 3.35Å; A32-A35 PolarHBondContact O-N 3.26Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.16Å; A35-S37 VanDerWaalsContact C-N 3.32Å; A35-S37 PolarHBondContact O-N 3.16Å; A35-A38 WeakPolarHBondContact O-CB 3.41Å; A35-A38 PolarHBondContact O-N 3.17Å |
| 36 | L | 95.3 | Very high | 94.6 | Very high | 20 Ų | 20 | 78.5 Ų | 78.5 | 11% | 0.105 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 175.1 | -67.8 | 172.3 | 0 | 0 | 0 | 112.4 | R14 L15 R18 A32 L33 A38 E39 C40 | R14-L36 HydrophobicContact CB-CD2 4.31Å; L15-L36 HydrophobicContact CB-CB 4.37Å; L15-L36 HydrophobicContact CD1-CB 3.98Å; R18-L36 HydrophobicContact CB-CD1 3.89Å; R18-L36 HydrophobicContact CG-CD1 3.89Å; A32-L36 WeakPolarHBondContact O-CG 3.43Å; A32-L36 PolarHBondContact O-N 3.26Å; L33-L36 PolarHBondContact O-N 2.99Å; L36-A38 PolarHBondContact O-N 3.18Å; L36-E39 PolarHBondContact O-N 3.49Å; L36-E39 VanDerWaalsContact O-N 3.16Å; L36-C40 PolarHBondContact O-SG 2.97Å |
| 37 | S | 94 | Very high | 94.5 | Very high | 38 Ų | 38 | 77.2 Ų | 77.2 | 27% | 0.266 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -29.5 | 179.6 | 83.1 | 0 | 0 | 0 | 0 | 112.6 | L33 K34 A35 E39 C40 F42 | L33-S37 WeakPolarHBondContact O-CB 3.48Å; L33-S37 PolarHBondContact O-N 2.66Å; K34-S37 WeakPolarHBondContact CA-OG 3.41Å; K34-S37 PolarHBondContact O-N 3.4Å; K34-S37 PolarHBondContact O-OG 3.42Å; A35-S37 VanDerWaalsContact C-N 3.32Å; A35-S37 PolarHBondContact O-N 3.16Å; S37-E39 PolarHBondContact O-N 3.44Å; S37-C40 WeakPolarHBondContact O-CB 3.36Å; S37-C40 PolarHBondContact O-N 2.8Å; S37-C40 VanDerWaalsContact O-N 3.11Å; S37-F42 VanDerWaalsContact O-CE2 3.22Å; S37-F42 WeakPolarHBondContact O-CE2 3.36Å |
| 38 | A | 92 | Very high | 94.5 | Very high | 86 Ų | 86 | 75.3 Ų | 75.3 | 71% | 0.711 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K34 A35 L36 | K34-A38 PolarHBondContact O-N 2.97Å; A35-A38 WeakPolarHBondContact O-CB 3.41Å; A35-A38 PolarHBondContact O-N 3.17Å; L36-A38 PolarHBondContact O-N 3.18Å |
| 39 | E | 88.8 | Confident | 94.3 | Very high | 81 Ų | 81 | 76.5 Ų | 76.5 | 38% | 0.379 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -12.3 | 177.6 | -58.2 | 177.1 | -147.7 | 0 | 0 | 113 | V6 A11 R14 L36 S37 N41 | V6-E39 WeakPolarHBondContact CG1-O 3.36Å; A11-E39 HydrophobicContact CB-CB 3.97Å; A11-E39 WeakPolarHBondContact CB-O 3.38Å; R14-E39 IonicContact CZ-OE2 3.66Å; R14-E39 VanDerWaalsContact NH1-CD 3.33Å; R14-E39 IonicContact NH1-OE1 3.89Å; R14-E39 PolarHBondContact NH1-OE1 3.4Å; R14-E39 VanDerWaalsContact NH1-OE1 3.1Å; R14-E39 IonicContact NH1-OE2 2.7Å; R14-E39 PolarHBondContact NH1-OE2 3.48Å; L36-E39 PolarHBondContact O-N 3.49Å; L36-E39 VanDerWaalsContact O-N 3.16Å; S37-E39 PolarHBondContact O-N 3.44Å; E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 3.08Å |
| 40 | C | 90.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -81.1 | -2.8 | -169.1 | -66.8 | 0 | 0 | 0 | 0 | 115.2 | R12 L36 S37 F42 | R12-C40 HydrophobicContact CG-CB 4Å; L36-C40 PolarHBondContact O-SG 2.97Å; S37-C40 WeakPolarHBondContact O-CB 3.36Å; S37-C40 PolarHBondContact O-N 2.8Å; S37-C40 VanDerWaalsContact O-N 3.11Å; C40-F42 HydrophobicContact CB-CD2 4.21Å; C40-F42 HydrophobicContact CB-CE1 4.17Å; C40-F42 HydrophobicContact CB-CE2 3.66Å; C40-F42 HydrophobicContact CB-CZ 3.63Å; C40-F42 PolarHBondContact O-N 2.67Å |
| 41 | N | 87.6 | Confident | 94.1 | Very high | 93 Ų | 93 | 83.3 Ų | 83.3 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | trans | 49.4 | 56.7 | -179.7 | -165.7 | 34.8 | 0 | 0 | 0 | 114 | E8 E39 K43 | E8-N41 HydrophobicContact CG-CB 4.25Å; E8-N41 PolarHBondContact OE1-ND2 3.41Å; E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 3.08Å; N41-K43 PolarHBondContact O-N 3.3Å | ||
| 42 | F | 88.6 | Confident | 94 | Very high | 129 Ų | 129 | 80.2 Ų | 80.2 | 57% | 0.566 | 46% | 0.455 | S | S | * | . | trans | -65.2 | 131.8 | 178.3 | -64.4 | -69.5 | 0 | 0 | 0 | 111.6 | L15 S37 C40 | L15-F42 HydrophobicContact CD2-CZ 4.24Å; S37-F42 VanDerWaalsContact O-CE2 3.22Å; S37-F42 WeakPolarHBondContact O-CE2 3.36Å; C40-F42 HydrophobicContact CB-CD2 4.21Å; C40-F42 HydrophobicContact CB-CE1 4.17Å; C40-F42 HydrophobicContact CB-CE2 3.66Å; C40-F42 HydrophobicContact CB-CZ 3.63Å; C40-F42 PolarHBondContact O-N 2.67Å | ||
| 43 | K | 91 | Very high | 93.9 | Very high | 114 Ų | 114 | 80 Ų | 80 | 50% | 0.496 | 45% | 0.45 | S | S | . | . | trans | -135.3 | 156.7 | 179.4 | 66.9 | -161.7 | 175.6 | -160.5 | 0 | 110.3 | E8 N41 V45 | E8-K43 IonicContact OE2-NZ 3.24Å; N41-K43 PolarHBondContact O-N 3.3Å; K43-V45 HydrophobicContact CD-CG1 4.45Å; K43-V45 HydrophobicContact CG-CG1 3.71Å; K43-V45 PolarHBondContact O-N 3.42Å | ||
| 44 | A | 94.6 | Very high | 93.8 | Very high | 110 Ų | 110 | 81.8 Ų | 81.8 | 91% | 0.909 | 46% | 0.459 | S | S | * | . | trans | -66.1 | 124.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 45 | V | 93.5 | Very high | 93.7 | Very high | 45 Ų | 45 | 78.6 Ų | 78.6 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | trans | -130.7 | 157.7 | -179.2 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | K43 Q49 Y50 | K43-V45 HydrophobicContact CD-CG1 4.45Å; K43-V45 HydrophobicContact CG-CG1 3.71Å; K43-V45 PolarHBondContact O-N 3.42Å; V45-Q49 HydrophobicContact CB-CB 3.95Å; V45-Y50 HydrophobicContact CG2-CD2 4.36Å | ||
| 46 | T | 97.2 | Very high | 93.7 | Very high | 81 Ų | 81 | 76 Ų | 76 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | trans | -68.3 | 158.8 | 170.9 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | S48 Q49 Y50 | T46-S48 PolarHBondContact O-N 3.34Å; T46-Q49 PolarHBondContact O-N 3.41Å; T46-Q49 VanDerWaalsContact O-N 3.16Å; T46-Q49 WeakPolarHBondContact OG1-CB 3.38Å; T46-Q49 VanDerWaalsContact OG1-CG 3.31Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.19Å; T46-Q49 PolarHBondContact OG1-N 2.92Å; T46-Q49 PolarHBondContact OG1-OE1 2.96Å; T46-Q49 VanDerWaalsContact OG1-OE1 3.05Å; T46-Y50 PolarHBondContact O-N 2.91Å | ||
| 47 | A | 96.8 | Very high | 93.7 | Very high | 86 Ų | 86 | 76.4 Ų | 76.4 | 71% | 0.711 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -56.7 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y50 Q51 | A47-Y50 PolarHBondContact O-N 3.46Å; A47-Q51 WeakPolarHBondContact O-CB 3.45Å; A47-Q51 PolarHBondContact O-N 2.92Å |
| 48 | S | 96.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 77.4 Ų | 77.4 | 61% | 0.608 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.5 | -43.6 | 176.9 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | T46 Q51 E52 | T46-S48 PolarHBondContact O-N 3.34Å; S48-Q51 PolarHBondContact O-N 3.43Å; S48-E52 PolarHBondContact O-N 3.02Å |
| 49 | Q | 95.1 | Very high | 94.1 | Very high | 94 Ų | 94 | 76 Ų | 76 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 176.4 | -76.1 | 167.4 | -36.1 | 0 | 0 | 111.2 | V45 T46 Q51 E52 E53 | V45-Q49 HydrophobicContact CB-CB 3.95Å; T46-Q49 PolarHBondContact O-N 3.41Å; T46-Q49 VanDerWaalsContact O-N 3.16Å; T46-Q49 WeakPolarHBondContact OG1-CB 3.38Å; T46-Q49 VanDerWaalsContact OG1-CG 3.31Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.19Å; T46-Q49 PolarHBondContact OG1-N 2.92Å; T46-Q49 PolarHBondContact OG1-OE1 2.96Å; T46-Q49 VanDerWaalsContact OG1-OE1 3.05Å; Q49-Q51 VanDerWaalsContact C-N 3.3Å; Q49-Q51 PolarHBondContact O-N 3.23Å; Q49-E52 PolarHBondContact O-N 2.99Å; Q49-E53 WeakPolarHBondContact O-CG 3.44Å; Q49-E53 PolarHBondContact O-N 3.49Å |
| 50 | Y | 94.7 | Very high | 94.4 | Very high | 128 Ų | 128 | 72.2 Ų | 72.2 | 50% | 0.502 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 177.4 | -174.1 | -120.1 | 0 | 0 | 0 | 112 | V45 T46 A47 E52 E53 L54 | V45-Y50 HydrophobicContact CG2-CD2 4.36Å; T46-Y50 PolarHBondContact O-N 2.91Å; A47-Y50 PolarHBondContact O-N 3.46Å; Y50-E52 PolarHBondContact O-N 3.44Å; Y50-E53 PolarHBondContact O-N 3.47Å; Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CD1-CG 4.39Å; Y50-L54 HydrophobicContact CD2-CG 4.42Å; Y50-L54 HydrophobicContact CE1-CD1 3.41Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.41Å; Y50-L54 HydrophobicContact CE1-CG 4.04Å; Y50-L54 HydrophobicContact CE2-CD1 4.34Å; Y50-L54 HydrophobicContact CE2-CD2 4.21Å; Y50-L54 HydrophobicContact CE2-CG 4.05Å; Y50-L54 WeakPolarHBondContact O-CB 3.27Å; Y50-L54 WeakPolarHBondContact O-CG 3.31Å; Y50-L54 PolarHBondContact O-N 3.08Å |
| 51 | Q | 96.4 | Very high | 94.6 | Very high | 132 Ų | 132 | 74 Ų | 74 | 62% | 0.617 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.8 | -46.5 | 174 | -179.8 | -177.2 | -24.5 | 0 | 0 | 111.7 | A47 S48 Q49 L54 V55 | A47-Q51 WeakPolarHBondContact O-CB 3.45Å; A47-Q51 PolarHBondContact O-N 2.92Å; S48-Q51 PolarHBondContact O-N 3.43Å; Q49-Q51 VanDerWaalsContact C-N 3.3Å; Q49-Q51 PolarHBondContact O-N 3.23Å; Q51-L54 PolarHBondContact O-N 2.74Å; Q51-V55 WeakPolarHBondContact O-CG2 3.49Å; Q51-V55 PolarHBondContact O-N 3.34Å; Q51-V55 VanDerWaalsContact O-N 3.08Å |
| 52 | E | 95.9 | Very high | 95 | Very high | 87 Ų | 87 | 72.6 Ų | 72.6 | 41% | 0.407 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 178.8 | -169.3 | -177.8 | 167 | 0 | 0 | 112.1 | S48 Q49 Y50 L54 V55 R56 L80 | S48-E52 PolarHBondContact O-N 3.02Å; Q49-E52 PolarHBondContact O-N 2.99Å; Y50-E52 PolarHBondContact O-N 3.44Å; E52-L54 VanDerWaalsContact C-N 3.35Å; E52-L54 PolarHBondContact O-N 3.45Å; E52-V55 PolarHBondContact O-N 2.93Å; E52-R56 WeakPolarHBondContact O-CB 3.37Å; E52-R56 PolarHBondContact O-N 3.46Å; E52-L80 HydrophobicContact CG-CB 3.85Å; E52-L80 HydrophobicContact CG-CD2 4.13Å |
| 53 | E | 94.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 67.7 Ų | 67.7 | 10% | 0.098 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 176 | -72.3 | -175.5 | -175 | 0 | 0 | 112.2 | R12 Q49 Y50 R56 D57 | R12-E53 IonicContact CZ-OE2 2.82Å; R12-E53 VanDerWaalsContact CZ-OE2 3.24Å; R12-E53 IonicContact NH1-OE2 3.55Å; R12-E53 PolarHBondContact NH1-OE2 3.23Å; R12-E53 IonicContact NH2-OE2 3.29Å; R12-E53 PolarHBondContact NH2-OE2 2.84Å; Q49-E53 WeakPolarHBondContact O-CG 3.44Å; Q49-E53 PolarHBondContact O-N 3.49Å; Y50-E53 PolarHBondContact O-N 3.47Å; E53-R56 WeakPolarHBondContact O-CB 3.37Å; E53-R56 PolarHBondContact O-N 3.38Å; E53-D57 WeakPolarHBondContact O-CB 3.34Å; E53-D57 PolarHBondContact O-N 3.01Å |
| 54 | L | 94.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 71.4 Ų | 71.4 | 42% | 0.424 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.2 | -79.2 | 180 | 0 | 0 | 0 | 112.1 | Y50 Q51 E52 R56 D57 A58 | Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CD1-CG 4.39Å; Y50-L54 HydrophobicContact CD2-CG 4.42Å; Y50-L54 HydrophobicContact CE1-CD1 3.41Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.41Å; Y50-L54 HydrophobicContact CE1-CG 4.04Å; Y50-L54 HydrophobicContact CE2-CD1 4.34Å; Y50-L54 HydrophobicContact CE2-CD2 4.21Å; Y50-L54 HydrophobicContact CE2-CG 4.05Å; Y50-L54 WeakPolarHBondContact O-CB 3.27Å; Y50-L54 WeakPolarHBondContact O-CG 3.31Å; Y50-L54 PolarHBondContact O-N 3.08Å; Q51-L54 PolarHBondContact O-N 2.74Å; E52-L54 VanDerWaalsContact C-N 3.35Å; E52-L54 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.03Å; L54-D57 PolarHBondContact O-N 3.34Å; L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 3.11Å |
| 55 | V | 96.7 | Very high | 95.6 | Very high | 74 Ų | 74 | 67.7 Ų | 67.7 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | Q51 E52 A58 F59 L80 | Q51-V55 WeakPolarHBondContact O-CG2 3.49Å; Q51-V55 PolarHBondContact O-N 3.34Å; Q51-V55 VanDerWaalsContact O-N 3.08Å; E52-V55 PolarHBondContact O-N 2.93Å; V55-A58 PolarHBondContact O-N 3.35Å; V55-F59 VanDerWaalsContact O-CB 3.29Å; V55-F59 WeakPolarHBondContact O-CB 3.38Å; V55-F59 PolarHBondContact O-N 3.4Å; V55-L80 HydrophobicContact CB-CD2 4.18Å; V55-L80 HydrophobicContact CG1-CD1 4.31Å; V55-L80 HydrophobicContact CG1-CD2 3.68Å |
| 56 | R | 95.4 | Very high | 95.7 | Very high | 9 Ų | 9 | 71.7 Ų | 71.7 | 3% | 0.034 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 174.7 | -179.5 | -161.1 | 66.4 | -153 | -10.1 | 112.2 | E52 E53 L54 A58 F59 V60 C78 L80 L83 | E52-R56 WeakPolarHBondContact O-CB 3.37Å; E52-R56 PolarHBondContact O-N 3.46Å; E53-R56 WeakPolarHBondContact O-CB 3.37Å; E53-R56 PolarHBondContact O-N 3.38Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.03Å; R56-A58 VanDerWaalsContact C-N 3.31Å; R56-A58 PolarHBondContact O-N 2.94Å; R56-F59 WeakPolarHBondContact O-CB 3.39Å; R56-F59 PolarHBondContact O-N 3.36Å; R56-V60 WeakPolarHBondContact O-CG2 3.26Å; R56-V60 PolarHBondContact O-N 3.35Å; R56-C78 WeakPolarHBondContact CD-O 3.05Å; R56-C78 PolarHBondContact NH1-O 3.47Å; R56-L80 HydrophobicContact CB-CB 4.29Å; R56-L80 HydrophobicContact CB-CD1 4.13Å; R56-L83 HydrophobicContact CG-CD1 3.45Å; R56-L83 VanDerWaalsContact CG-CD1 3.45Å |
| 57 | D | 94.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 70.6 Ų | 70.6 | 15% | 0.15 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | -176.7 | -61.8 | -16.7 | 0 | 0 | 0 | 110.7 | R12 E53 L54 S61 | R12-D57 WeakPolarHBondContact CD-OD2 3.08Å; R12-D57 IonicContact CZ-OD2 2.73Å; R12-D57 IonicContact NE-OD2 2.98Å; R12-D57 IonicContact NH1-OD2 2.89Å; R12-D57 PolarHBondContact NH1-OD2 3.08Å; E53-D57 WeakPolarHBondContact O-CB 3.34Å; E53-D57 PolarHBondContact O-N 3.01Å; L54-D57 PolarHBondContact O-N 3.34Å; D57-S61 WeakPolarHBondContact O-CB 3.38Å; D57-S61 PolarHBondContact O-N 3.49Å; D57-S61 VanDerWaalsContact O-N 3.08Å; D57-S61 PolarHBondContact O-OG 2.96Å |
| 58 | A | 96.3 | Very high | 95.6 | Very high | 60 Ų | 60 | 67 Ų | 67 | 50% | 0.496 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L54 V55 R56 S61 G62 | L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 3.11Å; V55-A58 PolarHBondContact O-N 3.35Å; R56-A58 VanDerWaalsContact C-N 3.31Å; R56-A58 PolarHBondContact O-N 2.94Å; A58-S61 PolarHBondContact O-OG 2.93Å; A58-G62 PolarHBondContact O-N 3.05Å |
| 59 | F | 96.5 | Very high | 95.5 | Very high | 55 Ų | 55 | 65.8 Ų | 65.8 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.6 | -55 | 175.9 | 174 | -112.1 | 0 | 0 | 0 | 110.6 | V55 R56 S61 G62 L63 L72 L84 A87 | V55-F59 VanDerWaalsContact O-CB 3.29Å; V55-F59 WeakPolarHBondContact O-CB 3.38Å; V55-F59 PolarHBondContact O-N 3.4Å; R56-F59 WeakPolarHBondContact O-CB 3.39Å; R56-F59 PolarHBondContact O-N 3.36Å; F59-S61 PolarHBondContact O-N 2.82Å; F59-G62 PolarHBondContact O-N 2.9Å; F59-L63 HydrophobicContact CE1-CD1 4.46Å; F59-L63 HydrophobicContact CE2-CD2 3.96Å; F59-L63 HydrophobicContact CZ-CD1 4.48Å; F59-L63 HydrophobicContact CZ-CD2 4.13Å; F59-L63 WeakPolarHBondContact O-CG 3.32Å; F59-L63 PolarHBondContact O-N 2.73Å; F59-L72 HydrophobicContact CD1-CD1 4.18Å; F59-L72 HydrophobicContact CE1-CD1 3.61Å; F59-L72 HydrophobicContact CZ-CD1 4.44Å; F59-L84 HydrophobicContact CE2-CD1 4.46Å; F59-L84 HydrophobicContact CZ-CD1 4.14Å; F59-A87 HydrophobicContact CE1-CB 4.23Å; F59-A87 HydrophobicContact CZ-CB 3.85Å |
| 60 | V | 95.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | -176.8 | 177.5 | 0 | 0 | 0 | 0 | 112 | V9 Y13 R56 G62 R69 L72 L73 L83 | V9-V60 HydrophobicContact CG1-CB 4.44Å; V9-V60 HydrophobicContact CG1-CG1 4.22Å; V9-V60 HydrophobicContact CG1-CG2 3.88Å; Y13-V60 HydrophobicContact CD2-CG1 4.05Å; R56-V60 WeakPolarHBondContact O-CG2 3.26Å; R56-V60 PolarHBondContact O-N 3.35Å; V60-G62 VanDerWaalsContact C-N 3.35Å; V60-R69 HydrophobicContact CG1-CG 4.48Å; V60-L72 HydrophobicContact CG2-CD1 4.06Å; V60-L73 HydrophobicContact CG1-CD2 3.88Å; V60-L73 HydrophobicContact CG1-CG 4.37Å; V60-L83 HydrophobicContact CG2-CD1 4.32Å |
| 61 | S | 94.8 | Very high | 95.5 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.9 | -28.7 | -179.4 | 59 | 0 | 0 | 0 | 0 | 113.6 | D57 A58 F59 | D57-S61 WeakPolarHBondContact O-CB 3.38Å; D57-S61 PolarHBondContact O-N 3.49Å; D57-S61 VanDerWaalsContact O-N 3.08Å; D57-S61 PolarHBondContact O-OG 2.96Å; A58-S61 PolarHBondContact O-OG 2.93Å; F59-S61 PolarHBondContact O-N 2.82Å |
| 62 | G | 95.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 59.4 Ų | 59.4 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -88 | -9.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | A58 F59 V60 Q64 | A58-G62 PolarHBondContact O-N 3.05Å; F59-G62 PolarHBondContact O-N 2.9Å; V60-G62 VanDerWaalsContact C-N 3.35Å; G62-Q64 PolarHBondContact O-N 2.89Å |
| 63 | L | 96 | Very high | 95.3 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | trans | -60.9 | 127.8 | -178.5 | -80.9 | 171.5 | 0 | 0 | 0 | 112.6 | F59 I68 R69 L72 | F59-L63 HydrophobicContact CE1-CD1 4.46Å; F59-L63 HydrophobicContact CE2-CD2 3.96Å; F59-L63 HydrophobicContact CZ-CD1 4.48Å; F59-L63 HydrophobicContact CZ-CD2 4.13Å; F59-L63 WeakPolarHBondContact O-CG 3.32Å; F59-L63 PolarHBondContact O-N 2.73Å; L63-I68 HydrophobicContact CD1-CB 4.35Å; L63-I68 HydrophobicContact CD1-CG2 3.71Å; L63-I68 HydrophobicContact CD2-CG2 4.39Å; L63-R69 HydrophobicContact CB-CB 4.42Å; L63-R69 HydrophobicContact CD1-CB 4.41Å; L63-R69 PolarHBondContact O-NE 2.98Å; L63-R69 PolarHBondContact O-NH2 2.76Å; L63-L72 HydrophobicContact CD1-CD1 3.47Å; L63-L72 VanDerWaalsContact CD1-CD1 3.47Å; L63-L72 HydrophobicContact CD1-CG 4.45Å | ||
| 64 | Q | 95.6 | Very high | 95.2 | Very high | 192 Ų | 192 | 60.4 Ų | 60.4 | 90% | 0.897 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -71.8 | -40.3 | 175.1 | -172.2 | -178.9 | 59.6 | 0 | 0 | 112.8 | G62 H66 | G62-Q64 PolarHBondContact O-N 2.89Å; Q64-H66 PolarHBondContact O-N 3.16Å |
| 65 | S | 95.4 | Very high | 94.8 | Very high | 33 Ų | 33 | 57.8 Ų | 57.8 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | trans | -72.2 | 111.8 | 179.9 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | I67 I68 R69 Q94 | S65-I67 PolarHBondContact O-N 2.88Å; S65-I68 PolarHBondContact O-N 3.26Å; S65-I68 PolarHBondContact OG-N 3.11Å; S65-R69 WeakPolarHBondContact O-CB 3.4Å; S65-R69 PolarHBondContact O-N 3.46Å; S65-Q94 PolarHBondContact OG-OE1 2.9Å | ||
| 66 | H | 95.2 | Very high | 94.3 | Very high | 129 Ų | 129 | 64 Ų | 64 | 60% | 0.597 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.2 | -30.1 | 175 | 67.3 | -83.2 | 0 | 0 | 0 | 112.1 | Q64 R69 Q70 | Q64-H66 PolarHBondContact O-N 3.16Å; H66-R69 PolarHBondContact O-N 2.7Å; H66-Q70 VanDerWaalsContact O-CB 3.27Å; H66-Q70 WeakPolarHBondContact O-CB 3.46Å; H66-Q70 PolarHBondContact O-N 3.01Å |
| 67 | I | 95.6 | Very high | 93.6 | Very high | 57 Ų | 57 | 64.3 Ų | 64.3 | 29% | 0.292 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.4 | -49.9 | 177.5 | -59.1 | -61.2 | 0 | 0 | 0 | 110.7 | S65 R69 Q70 R71 V90 | S65-I67 PolarHBondContact O-N 2.88Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.93Å; I67-Q70 PolarHBondContact O-N 3.14Å; I67-R71 WeakPolarHBondContact O-CG 3.32Å; I67-R71 PolarHBondContact O-N 3.27Å; I67-V90 HydrophobicContact CG2-CG1 4.05Å |
| 68 | I | 95.9 | Very high | 93 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.062 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 176.4 | -61.2 | 174.9 | 0 | 0 | 0 | 109 | L63 S65 Q70 R71 L72 A87 V90 D91 | L63-I68 HydrophobicContact CD1-CB 4.35Å; L63-I68 HydrophobicContact CD1-CG2 3.71Å; L63-I68 HydrophobicContact CD2-CG2 4.39Å; S65-I68 PolarHBondContact O-N 3.26Å; S65-I68 PolarHBondContact OG-N 3.11Å; I68-Q70 VanDerWaalsContact C-N 3.33Å; I68-Q70 PolarHBondContact O-N 3.47Å; I68-R71 PolarHBondContact O-N 3.34Å; I68-R71 VanDerWaalsContact O-N 3.11Å; I68-L72 HydrophobicContact CG2-CD1 4.32Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CG 3.4Å; I68-L72 PolarHBondContact O-N 2.86Å; I68-A87 HydrophobicContact CG2-CB 3.7Å; I68-V90 HydrophobicContact CG1-CB 4.32Å; I68-V90 HydrophobicContact CG1-CG1 3.83Å; I68-D91 HydrophobicContact CD1-CB 3.93Å |
| 69 | R | 95.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 65.4 Ų | 65.4 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -46.2 | 179.3 | -165.3 | -169.2 | -56.3 | 169.7 | 6.5 | 112.2 | Y13 V60 L63 S65 H66 I67 R71 L72 L73 | Y13-R69 HydrophobicContact CE2-CG 4.29Å; Y13-R69 WeakPolarHBondContact OH-CD 3.25Å; Y13-R69 PolarHBondContact OH-NH1 3.33Å; V60-R69 HydrophobicContact CG1-CG 4.48Å; L63-R69 HydrophobicContact CB-CB 4.42Å; L63-R69 HydrophobicContact CD1-CB 4.41Å; L63-R69 PolarHBondContact O-NE 2.98Å; L63-R69 PolarHBondContact O-NH2 2.76Å; S65-R69 WeakPolarHBondContact O-CB 3.4Å; S65-R69 PolarHBondContact O-N 3.46Å; H66-R69 PolarHBondContact O-N 2.7Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.93Å; R69-R71 PolarHBondContact O-N 3.3Å; R69-L72 PolarHBondContact O-N 3.49Å; R69-L73 HydrophobicContact CG-CD1 4.1Å; R69-L73 VanDerWaalsContact O-CG 3.25Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 2.96Å |
| 70 | Q | 94.9 | Very high | 92.7 | Very high | 94 Ų | 94 | 64.8 Ų | 64.8 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.4 | -48.7 | 176.1 | 179 | -175.5 | -25.7 | 0 | 0 | 111 | H66 I67 I68 L72 L73 E74 | H66-Q70 VanDerWaalsContact O-CB 3.27Å; H66-Q70 WeakPolarHBondContact O-CB 3.46Å; H66-Q70 PolarHBondContact O-N 3.01Å; I67-Q70 PolarHBondContact O-N 3.14Å; I68-Q70 VanDerWaalsContact C-N 3.33Å; I68-Q70 PolarHBondContact O-N 3.47Å; Q70-L72 VanDerWaalsContact C-N 3.3Å; Q70-L72 PolarHBondContact O-N 3.47Å; Q70-L73 PolarHBondContact O-N 3.35Å; Q70-L73 VanDerWaalsContact O-N 3.14Å; Q70-E74 HydrophobicContact CG-CG 4.49Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.43Å; Q70-E74 PolarHBondContact NE2-OE1 3.01Å; Q70-E74 WeakPolarHBondContact O-CG 3.39Å; Q70-E74 PolarHBondContact O-N 3.05Å |
| 71 | R | 94.6 | Very high | 92.7 | Very high | 126 Ų | 126 | 67.4 Ų | 67.4 | 48% | 0.475 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 179.1 | -67.8 | -57.4 | -169.6 | -171 | 4.7 | 113 | I67 I68 R69 E74 S75 V86 V90 | I67-R71 WeakPolarHBondContact O-CG 3.32Å; I67-R71 PolarHBondContact O-N 3.27Å; I68-R71 PolarHBondContact O-N 3.34Å; I68-R71 VanDerWaalsContact O-N 3.11Å; R69-R71 PolarHBondContact O-N 3.3Å; R71-E74 IonicContact CZ-OE2 3.64Å; R71-E74 IonicContact NH1-OE2 3.67Å; R71-E74 PolarHBondContact NH1-OE2 3.14Å; R71-E74 PolarHBondContact O-N 2.98Å; R71-S75 PolarHBondContact O-N 3.24Å; R71-S75 VanDerWaalsContact O-N 3.11Å; R71-V86 HydrophobicContact CB-CG1 4.48Å; R71-V90 HydrophobicContact CB-CG2 3.89Å; R71-V90 HydrophobicContact CG-CG1 4.24Å; R71-V90 HydrophobicContact CG-CG2 3.8Å |
| 72 | L | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 174.9 | -63.7 | -169.8 | 0 | 0 | 0 | 112.3 | F59 V60 L63 I68 R69 Q70 E74 S75 L83 V86 A87 | F59-L72 HydrophobicContact CD1-CD1 4.18Å; F59-L72 HydrophobicContact CE1-CD1 3.61Å; F59-L72 HydrophobicContact CZ-CD1 4.44Å; V60-L72 HydrophobicContact CG2-CD1 4.06Å; L63-L72 HydrophobicContact CD1-CD1 3.47Å; L63-L72 VanDerWaalsContact CD1-CD1 3.47Å; L63-L72 HydrophobicContact CD1-CG 4.45Å; I68-L72 HydrophobicContact CG2-CD1 4.32Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CG 3.4Å; I68-L72 PolarHBondContact O-N 2.86Å; R69-L72 PolarHBondContact O-N 3.49Å; Q70-L72 VanDerWaalsContact C-N 3.3Å; Q70-L72 PolarHBondContact O-N 3.47Å; L72-E74 VanDerWaalsContact C-N 3.3Å; L72-E74 PolarHBondContact O-N 3.47Å; L72-S75 WeakPolarHBondContact O-CB 3.41Å; L72-S75 PolarHBondContact O-N 2.83Å; L72-L83 HydrophobicContact CB-CD2 4.05Å; L72-L83 HydrophobicContact CD2-CB 4.26Å; L72-L83 HydrophobicContact CD2-CD2 3.85Å; L72-L83 WeakPolarHBondContact CD2-O 3.38Å; L72-L83 HydrophobicContact CG-CD2 4.39Å; L72-V86 HydrophobicContact CD2-CB 3.82Å; L72-V86 HydrophobicContact CD2-CG1 3.73Å; L72-A87 HydrophobicContact CD1-CB 4.43Å; L72-A87 HydrophobicContact CD2-CB 4.24Å |
| 73 | L | 93.3 | Very high | 92.6 | Very high | 27 Ų | 27 | 64.7 Ų | 64.7 | 14% | 0.141 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.6 | -20.5 | 178.6 | -64.2 | 172.5 | 0 | 0 | 0 | 113.4 | N7 H10 Y13 V60 R69 Q70 | N7-L73 PolarHBondContact ND2-O 2.65Å; H10-L73 HydrophobicContact CB-CD2 4.39Å; Y13-L73 HydrophobicContact CD1-CD1 3.73Å; Y13-L73 HydrophobicContact CD1-CD2 3.91Å; Y13-L73 HydrophobicContact CD2-CD2 4.35Å; Y13-L73 HydrophobicContact CE1-CD1 3.77Å; Y13-L73 HydrophobicContact CG-CD1 4.14Å; Y13-L73 HydrophobicContact CG-CD2 3.69Å; V60-L73 HydrophobicContact CG1-CD2 3.88Å; V60-L73 HydrophobicContact CG1-CG 4.37Å; R69-L73 HydrophobicContact CG-CD1 4.1Å; R69-L73 VanDerWaalsContact O-CG 3.25Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 2.96Å; Q70-L73 PolarHBondContact O-N 3.35Å; Q70-L73 VanDerWaalsContact O-N 3.14Å |
| 74 | E | 91.4 | Very high | 92.6 | Very high | 102 Ų | 102 | 66.4 Ų | 66.4 | 48% | 0.477 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -84.1 | -23.1 | 171.2 | -72.4 | 171.4 | -176.4 | 0 | 0 | 112.4 | Q70 R71 L72 | Q70-E74 HydrophobicContact CG-CG 4.49Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.43Å; Q70-E74 PolarHBondContact NE2-OE1 3.01Å; Q70-E74 WeakPolarHBondContact O-CG 3.39Å; Q70-E74 PolarHBondContact O-N 3.05Å; R71-E74 IonicContact CZ-OE2 3.64Å; R71-E74 IonicContact NH1-OE2 3.67Å; R71-E74 PolarHBondContact NH1-OE2 3.14Å; R71-E74 PolarHBondContact O-N 2.98Å; L72-E74 VanDerWaalsContact C-N 3.3Å; L72-E74 PolarHBondContact O-N 3.47Å |
| 75 | S | 87.6 | Confident | 92.7 | Very high | 25 Ų | 25 | 61.2 Ų | 61.2 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | trans | -65.9 | 145.5 | -176.5 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | N7 R71 L72 A77 | N7-S75 PolarHBondContact ND2-O 3.29Å; R71-S75 PolarHBondContact O-N 3.24Å; R71-S75 VanDerWaalsContact O-N 3.11Å; L72-S75 WeakPolarHBondContact O-CB 3.41Å; L72-S75 PolarHBondContact O-N 2.83Å; S75-A77 WeakPolarHBondContact OG-CB 3.33Å; S75-A77 PolarHBondContact OG-N 3.34Å; S75-A77 VanDerWaalsContact OG-N 3.16Å | ||
| 76 | K | 85.4 | Confident | 92.7 | Very high | 204 Ų | 204 | 61.8 Ų | 61.8 | 89% | 0.887 | 32% | 0.315 | S | S | * | . | trans | -80.5 | -5.9 | 170.6 | -62.6 | -179.6 | -177.4 | 175.9 | 0 | 112.7 | ||||
| 77 | A | 80 | Confident | 92.7 | Very high | 17 Ų | 17 | 56 Ų | 56 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | -72.8 | 135.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S75 L83 | S75-A77 WeakPolarHBondContact OG-CB 3.33Å; S75-A77 PolarHBondContact OG-N 3.34Å; S75-A77 VanDerWaalsContact OG-N 3.16Å; A77-L83 HydrophobicContact CB-CD2 4.31Å; A77-L83 HydrophobicContact CB-CG 4.39Å | ||
| 78 | C | 83.8 | Confident | 92.8 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 30% | 0.304 | 30% | 0.3 | S | S | . | . | trans | -115.1 | -13.5 | 178.8 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | R56 | R56-C78 WeakPolarHBondContact CD-O 3.05Å; R56-C78 PolarHBondContact NH1-O 3.47Å | ||
| 79 | D | 91.9 | Very high | 92.8 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -91 | 153.7 | -179.8 | 60.9 | -69.6 | 0 | 0 | 0 | 112.1 | A81 S82 L83 | D79-A81 VanDerWaalsContact C-N 3.35Å; D79-A81 PolarHBondContact O-N 3.49Å; D79-S82 VanDerWaalsContact OD1-CB 3.26Å; D79-S82 WeakPolarHBondContact OD1-CB 3.48Å; D79-S82 PolarHBondContact OD1-OG 3.29Å; D79-S82 WeakPolarHBondContact OD2-CB 3.42Å; D79-S82 PolarHBondContact OD2-N 2.78Å; D79-S82 PolarHBondContact OD2-OG 3.47Å; D79-L83 WeakPolarHBondContact O-CG 3.43Å; D79-L83 PolarHBondContact O-N 3.47Å |
| 80 | L | 94.2 | Very high | 92.8 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | -176.9 | 176.4 | 61.4 | 0 | 0 | 0 | 111.8 | E52 V55 R56 L83 L84 | E52-L80 HydrophobicContact CG-CB 3.85Å; E52-L80 HydrophobicContact CG-CD2 4.13Å; V55-L80 HydrophobicContact CB-CD2 4.18Å; V55-L80 HydrophobicContact CG1-CD1 4.31Å; V55-L80 HydrophobicContact CG1-CD2 3.68Å; R56-L80 HydrophobicContact CB-CB 4.29Å; R56-L80 HydrophobicContact CB-CD1 4.13Å; L80-L83 PolarHBondContact O-N 2.92Å; L80-L84 WeakPolarHBondContact O-CB 3.47Å; L80-L84 PolarHBondContact O-N 3.44Å |
| 81 | A | 95.3 | Very high | 92.9 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -50.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D79 L83 L84 D85 | D79-A81 VanDerWaalsContact C-N 3.35Å; D79-A81 PolarHBondContact O-N 3.49Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.33Å; A81-L84 WeakPolarHBondContact O-CB 3.45Å; A81-L84 PolarHBondContact O-N 3Å; A81-D85 PolarHBondContact O-N 3.09Å |
| 82 | S | 94.5 | Very high | 92.9 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 179.1 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | D79 L84 D85 V86 | D79-S82 VanDerWaalsContact OD1-CB 3.26Å; D79-S82 WeakPolarHBondContact OD1-CB 3.48Å; D79-S82 PolarHBondContact OD1-OG 3.29Å; D79-S82 WeakPolarHBondContact OD2-CB 3.42Å; D79-S82 PolarHBondContact OD2-N 2.78Å; D79-S82 PolarHBondContact OD2-OG 3.47Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-D85 PolarHBondContact O-N 3.07Å; S82-V86 WeakPolarHBondContact O-CG2 3.47Å; S82-V86 PolarHBondContact O-N 3.13Å |
| 83 | L | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 175.1 | -73 | 168.9 | 0 | 0 | 0 | 111.9 | V9 R56 V60 L72 A77 D79 L80 A81 D85 V86 A87 | V9-L83 HydrophobicContact CG1-CD1 4.31Å; V9-L83 HydrophobicContact CG2-CD1 4.07Å; R56-L83 HydrophobicContact CG-CD1 3.45Å; R56-L83 VanDerWaalsContact CG-CD1 3.45Å; V60-L83 HydrophobicContact CG2-CD1 4.32Å; L72-L83 HydrophobicContact CB-CD2 4.05Å; L72-L83 HydrophobicContact CD2-CB 4.26Å; L72-L83 HydrophobicContact CD2-CD2 3.85Å; L72-L83 WeakPolarHBondContact CD2-O 3.38Å; L72-L83 HydrophobicContact CG-CD2 4.39Å; A77-L83 HydrophobicContact CB-CD2 4.31Å; A77-L83 HydrophobicContact CB-CG 4.39Å; D79-L83 WeakPolarHBondContact O-CG 3.43Å; D79-L83 PolarHBondContact O-N 3.47Å; L80-L83 PolarHBondContact O-N 2.92Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.33Å; L83-D85 VanDerWaalsContact C-N 3.34Å; L83-V86 PolarHBondContact O-N 2.9Å; L83-A87 WeakPolarHBondContact O-CB 3.22Å; L83-A87 PolarHBondContact O-N 2.92Å |
| 84 | L | 96.3 | Very high | 92.9 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 32% | 0.319 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 175.1 | -176.1 | 64.5 | 0 | 0 | 0 | 111.6 | F59 L80 A81 S82 A87 R88 | F59-L84 HydrophobicContact CE2-CD1 4.46Å; F59-L84 HydrophobicContact CZ-CD1 4.14Å; L80-L84 WeakPolarHBondContact O-CB 3.47Å; L80-L84 PolarHBondContact O-N 3.44Å; A81-L84 WeakPolarHBondContact O-CB 3.45Å; A81-L84 PolarHBondContact O-N 3Å; S82-L84 VanDerWaalsContact C-N 3.34Å; L84-A87 PolarHBondContact O-N 3.45Å; L84-R88 VanDerWaalsContact O-CG 3.28Å; L84-R88 WeakPolarHBondContact O-CG 3.38Å; L84-R88 PolarHBondContact O-N 2.83Å |
| 85 | D | 96.1 | Very high | 92.9 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 177.4 | -71.3 | -21.8 | 0 | 0 | 0 | 111.9 | A81 S82 L83 A87 R88 V89 | A81-D85 PolarHBondContact O-N 3.09Å; S82-D85 PolarHBondContact O-N 3.07Å; L83-D85 VanDerWaalsContact C-N 3.34Å; D85-A87 VanDerWaalsContact C-N 3.32Å; D85-A87 PolarHBondContact O-N 3.07Å; D85-R88 PolarHBondContact O-N 2.9Å; D85-R88 IonicContact OD1-NH1 2.94Å; D85-R88 PolarHBondContact OD1-NH1 3.48Å; D85-V89 WeakPolarHBondContact O-CG2 3.47Å; D85-V89 PolarHBondContact O-N 3.22Å |
| 86 | V | 95.2 | Very high | 93.1 | Very high | 44 Ų | 44 | 63.4 Ų | 63.4 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 171.8 | 175 | 0 | 0 | 0 | 0 | 110.6 | R71 L72 S82 L83 R88 V89 V90 | R71-V86 HydrophobicContact CB-CG1 4.48Å; L72-V86 HydrophobicContact CD2-CB 3.82Å; L72-V86 HydrophobicContact CD2-CG1 3.73Å; S82-V86 WeakPolarHBondContact O-CG2 3.47Å; S82-V86 PolarHBondContact O-N 3.13Å; L83-V86 PolarHBondContact O-N 2.9Å; V86-R88 VanDerWaalsContact C-N 3.35Å; V86-R88 PolarHBondContact O-N 2.82Å; V86-V89 PolarHBondContact O-N 3.13Å; V86-V90 HydrophobicContact CG1-CG2 4.38Å; V86-V90 VanDerWaalsContact O-CG2 3.3Å; V86-V90 WeakPolarHBondContact O-CG2 3.41Å; V86-V90 PolarHBondContact O-N 3.43Å |
| 87 | A | 96.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 57 Ų | 57 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F59 I68 L72 L83 L84 D85 V90 D91 | F59-A87 HydrophobicContact CE1-CB 4.23Å; F59-A87 HydrophobicContact CZ-CB 3.85Å; I68-A87 HydrophobicContact CG2-CB 3.7Å; L72-A87 HydrophobicContact CD1-CB 4.43Å; L72-A87 HydrophobicContact CD2-CB 4.24Å; L83-A87 WeakPolarHBondContact O-CB 3.22Å; L83-A87 PolarHBondContact O-N 2.92Å; L84-A87 PolarHBondContact O-N 3.45Å; D85-A87 VanDerWaalsContact C-N 3.32Å; D85-A87 PolarHBondContact O-N 3.07Å; A87-V90 PolarHBondContact O-N 3.26Å; A87-D91 VanDerWaalsContact O-CB 3.23Å; A87-D91 WeakPolarHBondContact O-CB 3.47Å; A87-D91 PolarHBondContact O-N 2.99Å |
| 88 | R | 97 | Very high | 93.8 | Very high | 139 Ų | 139 | 61.5 Ų | 61.5 | 53% | 0.525 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.1 | -74.1 | 167.3 | 175.8 | 163.1 | -5.6 | 112.5 | L84 D85 V86 S92 | L84-R88 VanDerWaalsContact O-CG 3.28Å; L84-R88 WeakPolarHBondContact O-CG 3.38Å; L84-R88 PolarHBondContact O-N 2.83Å; D85-R88 PolarHBondContact O-N 2.9Å; D85-R88 IonicContact OD1-NH1 2.94Å; D85-R88 PolarHBondContact OD1-NH1 3.48Å; V86-R88 VanDerWaalsContact C-N 3.35Å; V86-R88 PolarHBondContact O-N 2.82Å; R88-S92 VanDerWaalsContact O-CB 3.3Å; R88-S92 WeakPolarHBondContact O-CB 3.46Å; R88-S92 PolarHBondContact O-N 3.29Å; R88-S92 PolarHBondContact O-OG 3.25Å |
| 89 | V | 96.3 | Very high | 93.9 | Very high | 103 Ų | 103 | 62.3 Ų | 62.3 | 62% | 0.624 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.1 | -46.3 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | D85 V86 A93 | D85-V89 WeakPolarHBondContact O-CG2 3.47Å; D85-V89 PolarHBondContact O-N 3.22Å; V86-V89 PolarHBondContact O-N 3.13Å; V89-A93 WeakPolarHBondContact O-CB 3.32Å; V89-A93 PolarHBondContact O-N 3.16Å |
| 90 | V | 95.9 | Very high | 93.5 | Very high | 22 Ų | 22 | 67.4 Ų | 67.4 | 13% | 0.133 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 179.2 | 178 | 0 | 0 | 0 | 0 | 111.1 | I67 I68 R71 V86 A87 S92 A93 Q94 | I67-V90 HydrophobicContact CG2-CG1 4.05Å; I68-V90 HydrophobicContact CG1-CB 4.32Å; I68-V90 HydrophobicContact CG1-CG1 3.83Å; R71-V90 HydrophobicContact CB-CG2 3.89Å; R71-V90 HydrophobicContact CG-CG1 4.24Å; R71-V90 HydrophobicContact CG-CG2 3.8Å; V86-V90 HydrophobicContact CG1-CG2 4.38Å; V86-V90 VanDerWaalsContact O-CG2 3.3Å; V86-V90 WeakPolarHBondContact O-CG2 3.41Å; V86-V90 PolarHBondContact O-N 3.43Å; A87-V90 PolarHBondContact O-N 3.26Å; V90-S92 VanDerWaalsContact C-N 3.33Å; V90-S92 PolarHBondContact O-N 2.68Å; V90-A93 WeakPolarHBondContact O-CB 3.39Å; V90-A93 PolarHBondContact O-N 3.34Å; V90-A93 VanDerWaalsContact O-N 3.16Å; V90-Q94 HydrophobicContact CG1-CG 4.39Å; V90-Q94 WeakPolarHBondContact O-CG 3.49Å; V90-Q94 PolarHBondContact O-N 3.31Å |
| 91 | D | 96.3 | Very high | 92.9 | Very high | 55 Ų | 55 | 70.8 Ų | 70.8 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 178.4 | -179.4 | 63.9 | 0 | 0 | 0 | 111.8 | I68 A87 A93 Q94 K95 | I68-D91 HydrophobicContact CD1-CB 3.93Å; A87-D91 VanDerWaalsContact O-CB 3.23Å; A87-D91 WeakPolarHBondContact O-CB 3.47Å; A87-D91 PolarHBondContact O-N 2.99Å; D91-A93 PolarHBondContact O-N 3.34Å; D91-Q94 PolarHBondContact O-N 3.04Å; D91-K95 WeakPolarHBondContact O-CG 3.47Å; D91-K95 PolarHBondContact O-N 3.04Å; D91-K95 WeakPolarHBondContact OD1-CE 3.46Å; D91-K95 IonicContact OD1-NZ 3.56Å; D91-K95 WeakPolarHBondContact OD2-CE 3.3Å; D91-K95 IonicContact OD2-NZ 2.67Å; D91-K95 PolarHBondContact OD2-NZ 3.25Å |
| 92 | S | 95.2 | Very high | 91.8 | Very high | 77 Ų | 77 | 74.4 Ų | 74.4 | 54% | 0.538 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 176.6 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | R88 V90 G96 | R88-S92 VanDerWaalsContact O-CB 3.3Å; R88-S92 WeakPolarHBondContact O-CB 3.46Å; R88-S92 PolarHBondContact O-N 3.29Å; R88-S92 PolarHBondContact O-OG 3.25Å; V90-S92 VanDerWaalsContact C-N 3.33Å; V90-S92 PolarHBondContact O-N 2.68Å; S92-G96 PolarHBondContact O-N 3.11Å |
| 93 | A | 94.4 | Very high | 90.6 | Very high | 64 Ų | 64 | 75.8 Ų | 75.8 | 53% | 0.529 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V89 V90 D91 G96 S97 | V89-A93 WeakPolarHBondContact O-CB 3.32Å; V89-A93 PolarHBondContact O-N 3.16Å; V90-A93 WeakPolarHBondContact O-CB 3.39Å; V90-A93 PolarHBondContact O-N 3.34Å; V90-A93 VanDerWaalsContact O-N 3.16Å; D91-A93 PolarHBondContact O-N 3.34Å; A93-G96 PolarHBondContact O-N 3.38Å; A93-S97 WeakPolarHBondContact O-CB 3.46Å; A93-S97 PolarHBondContact O-N 3.5Å |
| 94 | Q | 93.3 | Very high | 88.9 | Confident | 50 Ų | 50 | 80 Ų | 80 | 23% | 0.234 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.1 | -50.3 | 175.8 | -70.1 | -171.8 | -80.9 | 0 | 0 | 111.1 | S65 V90 D91 G96 S97 E98 | S65-Q94 PolarHBondContact OG-OE1 2.9Å; V90-Q94 HydrophobicContact CG1-CG 4.39Å; V90-Q94 WeakPolarHBondContact O-CG 3.49Å; V90-Q94 PolarHBondContact O-N 3.31Å; D91-Q94 PolarHBondContact O-N 3.04Å; Q94-G96 VanDerWaalsContact C-N 3.31Å; Q94-G96 PolarHBondContact O-N 3.24Å; Q94-S97 WeakPolarHBondContact O-CB 3.36Å; Q94-S97 PolarHBondContact O-N 3.4Å; Q94-S97 VanDerWaalsContact O-N 3.1Å; Q94-E98 WeakPolarHBondContact O-CG 3.5Å; Q94-E98 PolarHBondContact O-N 3.35Å |
| 95 | K | 92.2 | Very high | 87.1 | Confident | 121 Ų | 121 | 84 Ų | 84 | 53% | 0.526 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 176.2 | -70.9 | 169.5 | 178.7 | 166.9 | 0 | 112.3 | D91 E98 S99 | D91-K95 WeakPolarHBondContact O-CG 3.47Å; D91-K95 PolarHBondContact O-N 3.04Å; D91-K95 WeakPolarHBondContact OD1-CE 3.46Å; D91-K95 IonicContact OD1-NZ 3.56Å; D91-K95 WeakPolarHBondContact OD2-CE 3.3Å; D91-K95 IonicContact OD2-NZ 2.67Å; D91-K95 PolarHBondContact OD2-NZ 3.25Å; K95-E98 PolarHBondContact O-N 3.45Å; K95-S99 PolarHBondContact O-N 3.45Å |
| 96 | G | 91.8 | Very high | 85.3 | Confident | 29 Ų | 29 | 83.6 Ų | 83.6 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S92 A93 Q94 E98 S99 Y100 | S92-G96 PolarHBondContact O-N 3.11Å; A93-G96 PolarHBondContact O-N 3.38Å; Q94-G96 VanDerWaalsContact C-N 3.31Å; Q94-G96 PolarHBondContact O-N 3.24Å; G96-E98 PolarHBondContact O-N 2.88Å; G96-S99 PolarHBondContact O-N 3.04Å; G96-S99 PolarHBondContact O-OG 3.44Å; G96-Y100 VanDerWaalsContact O-CD2 3.3Å; G96-Y100 WeakPolarHBondContact O-CD2 3.31Å |
| 97 | S | 90.2 | Very high | 83.5 | Confident | 69 Ų | 69 | 87.7 Ų | 87.7 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.8 | -169.7 | 0 | 0 | 0 | 0 | 112.8 | A93 Q94 S99 Y100 | A93-S97 WeakPolarHBondContact O-CB 3.46Å; A93-S97 PolarHBondContact O-N 3.5Å; Q94-S97 WeakPolarHBondContact O-CB 3.36Å; Q94-S97 PolarHBondContact O-N 3.4Å; Q94-S97 VanDerWaalsContact O-N 3.1Å; S97-S99 VanDerWaalsContact C-N 3.28Å; S97-S99 PolarHBondContact O-N 2.75Å; S97-Y100 PolarHBondContact O-N 3.23Å |
| 98 | E | 89.1 | Confident | 81.7 | Confident | 112 Ų | 112 | 92 Ų | 92 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 178.3 | -71.7 | 168.9 | -172.2 | 0 | 0 | 112.2 | Q94 K95 G96 Y100 L101 L102 | Q94-E98 WeakPolarHBondContact O-CG 3.5Å; Q94-E98 PolarHBondContact O-N 3.35Å; K95-E98 PolarHBondContact O-N 3.45Å; G96-E98 PolarHBondContact O-N 2.88Å; E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 2.91Å; E98-L101 PolarHBondContact O-N 3.29Å; E98-L102 PolarHBondContact O-N 2.93Å |
| 99 | S | 86 | Confident | 79.6 | Confident | 62 Ų | 62 | 91.2 Ų | 91.2 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -34 | 177 | 78.4 | 0 | 0 | 0 | 0 | 113.3 | K95 G96 S97 L101 L102 S103 | K95-S99 PolarHBondContact O-N 3.45Å; G96-S99 PolarHBondContact O-N 3.04Å; G96-S99 PolarHBondContact O-OG 3.44Å; S97-S99 VanDerWaalsContact C-N 3.28Å; S97-S99 PolarHBondContact O-N 2.75Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.1Å; S99-L102 PolarHBondContact O-N 2.91Å; S99-S103 PolarHBondContact O-N 3.23Å; S99-S103 VanDerWaalsContact O-N 3.1Å |
| 100 | Y | 83.6 | Confident | 77.5 | Confident | 173 Ų | 173 | 91 Ų | 91 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.9 | -34.4 | 176.5 | -65.7 | -61.9 | 0 | 0 | 0 | 112.4 | G96 S97 E98 T104 | G96-Y100 VanDerWaalsContact O-CD2 3.3Å; G96-Y100 WeakPolarHBondContact O-CD2 3.31Å; S97-Y100 PolarHBondContact O-N 3.23Å; E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 2.91Å; Y100-T104 PolarHBondContact O-N 3.41Å; Y100-T104 PolarHBondContact O-OG1 2.97Å |
| 101 | L | 80.7 | Confident | 75.4 | Confident | 111 Ų | 111 | 94.7 Ų | 94.7 | 58% | 0.581 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.1 | -43.3 | 177.4 | -61.4 | 179.9 | 0 | 0 | 0 | 111.3 | E98 S99 S103 T104 H105 | E98-L101 PolarHBondContact O-N 3.29Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.1Å; L101-S103 PolarHBondContact O-N 2.86Å; L101-T104 PolarHBondContact O-N 3.4Å; L101-H105 PolarHBondContact O-CD2 3.27Å; L101-H105 PolarHBondContact O-N 3.35Å |
| 102 | L | 74.2 | Confident | 73.1 | Confident | 133 Ų | 133 | 97.5 Ų | 97.5 | 70% | 0.696 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.7 | -41.3 | 176.7 | -74.2 | 159.2 | 0 | 0 | 0 | 112.1 | E98 S99 T104 H105 | E98-L102 PolarHBondContact O-N 2.93Å; S99-L102 PolarHBondContact O-N 2.91Å; L102-T104 PolarHBondContact O-N 2.66Å; L102-H105 PolarHBondContact O-N 2.7Å |
| 103 | S | 67.5 | Low | 70.7 | Confident | 75 Ų | 75 | 98.9 Ų | 98.9 | 52% | 0.524 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.4 | -21.8 | 178.1 | -169.1 | 0 | 0 | 0 | 0 | 113.4 | S99 L101 | S99-S103 PolarHBondContact O-N 3.23Å; S99-S103 VanDerWaalsContact O-N 3.1Å; L101-S103 PolarHBondContact O-N 2.86Å |
| 104 | T | 59.7 | Low | 68 | Low | 88 Ų | 88 | 99.8 Ų | 99.8 | 54% | 0.54 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -80.7 | -35.8 | -179.7 | -50.3 | 0 | 0 | 0 | 0 | 111.2 | Y100 L101 L102 A106 N107 T108 | Y100-T104 PolarHBondContact O-N 3.41Å; Y100-T104 PolarHBondContact O-OG1 2.97Å; L101-T104 PolarHBondContact O-N 3.4Å; L102-T104 PolarHBondContact O-N 2.66Å; T104-A106 PolarHBondContact O-N 2.64Å; T104-N107 PolarHBondContact O-N 3.48Å; T104-T108 PolarHBondContact O-OG1 3.08Å; T104-T108 VanDerWaalsContact O-OG1 3.08Å |
| 105 | H | 58 | Low | 65.5 | Low | 144 Ų | 144 | 102.1 Ų | 102.1 | 67% | 0.667 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.9 | -25.4 | 178.5 | -77.7 | -65.9 | 0 | 0 | 0 | 114.5 | L101 L102 N107 | L101-H105 PolarHBondContact O-CD2 3.27Å; L101-H105 PolarHBondContact O-N 3.35Å; L102-H105 PolarHBondContact O-N 2.7Å; H105-N107 PolarHBondContact O-N 2.99Å |
| 106 | A | 58.4 | Low | 63.5 | Low | 76 Ų | 76 | 102.5 Ų | 102.5 | 63% | 0.628 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -21.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T104 | T104-A106 PolarHBondContact O-N 2.64Š|
| 107 | N | 57.4 | Low | 61.1 | Low | 131 Ų | 131 | 108.7 Ų | 108.7 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -7.8 | -174.8 | -66.7 | -9 | 0 | 0 | 0 | 113.8 | T104 H105 | T104-N107 PolarHBondContact O-N 3.48Å; H105-N107 PolarHBondContact O-N 2.99Å |
| 108 | T | 58.7 | Low | 58.9 | Low | 99 Ų | 99 | 110.8 Ų | 110.8 | 61% | 0.607 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -94 | -11.7 | -174.3 | -40.7 | 0 | 0 | 0 | 0 | 114 | T104 | T104-T108 PolarHBondContact O-OG1 3.08Å; T104-T108 VanDerWaalsContact O-OG1 3.08Å |
| 109 | T | 53.9 | Low | 56.6 | Low | 122 Ų | 122 | 117 Ų | 117 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 4.1 | -175.1 | 7.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 110 | A | 52 | Low | 54.8 | Low | 98 Ų | 98 | 123.4 Ų | 123.4 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -1.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 111 | A | 50.8 | Low | 52.8 | Low | 100 Ų | 100 | 124.3 Ų | 124.3 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -110.5 | 6.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 112 | S | 48.5 | Very low | 51.1 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -128.9 | 58.6 | -179 | 67.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 113 | A | 44.4 | Very low | 49.6 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -145.9 | 102.7 | 165 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 114 | G | 38.2 | Very low | 48.7 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 129.6 | 64.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 115 | A | 40.2 | Very low | 48 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -145.9 | 78.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 116 | S | 49.5 | Very low | 47.9 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -163.6 | 78 | 161.3 | -73.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 117 | D | 43.3 | Very low | 47.2 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -87.3 | 160.7 | -179.7 | -169 | 21 | 0 | 0 | 0 | 112 | ||||
| 118 | C | 43.6 | Very low | 46.6 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -74.3 | 154.8 | -155.5 | -62.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 119 | R | 39.3 | Very low | 46.5 | Very low | 242 Ų | 242 | 133.2 Ų | 133.2 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | trans | -91.1 | 114.4 | 159.1 | -69.1 | 176.9 | 176.1 | 158.4 | -1.2 | 108.6 | ||||
| 120 | Q | 49.6 | Very low | 46.3 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -174.6 | 140.6 | 132.2 | -102.3 | 166.4 | 12.2 | 0 | 0 | 110.6 | ||||
| 121 | F | 40.6 | Very low | 45.7 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -63.4 | 137.5 | -173.8 | -90.8 | -120.5 | 0 | 0 | 0 | 112.6 | ||||
| 122 | D | 44.8 | Very low | 45.8 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -146.4 | 139.8 | 142.2 | -87.6 | -51.3 | 0 | 0 | 0 | 109.5 | ||||
| 123 | D | 43.5 | Very low | 46 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | -88.8 | 151.5 | -161.9 | -142.2 | -127.1 | 0 | 0 | 0 | 112.1 | ||||
| 124 | V | 48.8 | Very low | 46.6 | Very low | 123 Ų | 123 | 137 Ų | 137 | 75% | 0.745 | 82% | 0.819 | S | S | * | * | trans | 85.7 | 98.3 | 146.4 | 172.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 125 | D | 43.8 | Very low | 47.6 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | 123.1 | 102.9 | 114.8 | -149.4 | 31.4 | 0 | 0 | 0 | 119.1 | |||||
| 126 | S | 57 | Low | 48.2 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | 62.6 | 148.6 | 134.5 | -72.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 127 | P | 43.3 | Very low | 48.8 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -121.3 | 155.3 | -141.7 | 33.3 | -14.5 | 0 | 0 | 0 | 114.7 | ||||
| 128 | G | 43.9 | Very low | 49.8 | Very low | 81 Ų | 81 | 145.6 Ų | 145.6 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -160.5 | 103.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 129 | N | 57.9 | Low | 51.3 | Low | 155 Ų | 155 | 146.6 Ų | 146.6 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -68.1 | -178.5 | -173.2 | -151.4 | 25.6 | 0 | 0 | 0 | 114 | ||||
| 130 | P | 48.4 | Very low | 52.9 | Low | 102 Ų | 102 | 146.1 Ų | 146.1 | 66% | 0.662 | 81% | 0.813 | S | S | * | * | -130.1 | -163.7 | -93.5 | 44.2 | -26.2 | 0 | 0 | 0 | 112.6 | |||||
| 131 | C | 40 | Very low | 54 | Low | 123 Ų | 123 | 143 Ų | 143 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | 102.2 | 104.6 | 154.2 | -156.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 132 | A | 53.8 | Low | 55.5 | Low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -145.9 | 116 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 133 | T | 51.3 | Low | 56.6 | Low | 125 Ų | 125 | 144.9 Ų | 144.9 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -27 | 131.7 | 166.8 | -46.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 134 | I | 58.2 | Low | 57.4 | Low | 170 Ų | 170 | 147.3 Ų | 147.3 | 87% | 0.872 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 116.6 | 166.1 | -61.6 | 175.9 | 0 | 0 | 0 | 109.4 | ||
| 135 | T | 58.4 | Low | 57.8 | Low | 117 Ų | 117 | 148.5 Ų | 148.5 | 72% | 0.718 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 133.4 | 174.4 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 136 | T | 52.8 | Low | 58.6 | Low | 129 Ų | 129 | 148.9 Ų | 148.9 | 79% | 0.791 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 131.3 | 176.7 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 137 | K | 62.4 | Low | 58.7 | Low | 209 Ų | 209 | 151.4 Ų | 151.4 | 91% | 0.909 | 85% | 0.853 | S | S | * | * | trans | -104.5 | 112.4 | 161.7 | -80.6 | -174.9 | 178.8 | 175.5 | 0 | 110.3 | ||||
| 138 | K | 64.9 | Low | 59.6 | Low | 196 Ų | 196 | 152.8 Ų | 152.8 | 85% | 0.852 | 85% | 0.854 | S | S | * | * | trans | -87.9 | 111.4 | 177.6 | -169.3 | 176.1 | -173 | 174.2 | 0 | 108.8 | ||||
| 139 | T | 75.2 | Confident | 60.6 | Low | 135 Ų | 135 | 157.3 Ų | 157.3 | 83% | 0.828 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 127.5 | 169.4 | 36.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 140 | R | 72.1 | Confident | 60.7 | Low | 231 Ų | 231 | 157.4 Ų | 157.4 | 87% | 0.872 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -86 | 129.6 | 175.4 | -78.4 | -179.1 | 166 | -166.8 | -3.8 | 109.3 | ||
| 141 | C | 73.6 | Confident | 61.6 | Low | 132 Ų | 132 | 161.4 Ų | 161.4 | 89% | 0.892 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 143.4 | 164.5 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 142 | F | 72.6 | Confident | 63.3 | Low | 198 Ų | 198 | 164.3 Ų | 164.3 | 87% | 0.868 | 87% | 0.874 | S | S | * | * | trans | -120 | 120 | 174.7 | -128.2 | -92.5 | 0 | 0 | 0 | 107 | ||||
| 143 | F | 66.8 | Low | 64.1 | Low | 207 Ų | 207 | 169.8 Ų | 169.8 | 91% | 0.908 | 88% | 0.879 | S | S | * | * | trans | -115.1 | 134.1 | 161.4 | -149 | -94 | 0 | 0 | 0 | 106.4 | ||||
| 144 | C | 60.9 | Low | 65.2 | Low | 188 Ų | 188 | 173.8 Ų | 173.8 | 100% | 1.27 | 89% | 0.889 | S | S | * | * | trans | -59.2 | 0 | -179 | -70 | 0 | 0 | 0 | 0 | 112.5 |
Retrieved 144 of 144 residues in 149.7 ms
(Link to these results)