| 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 | 62.8 | Low | 85.1 | Confident | 233 Ų | 233 | 132.7 Ų | 132.7 | 100% | 1.148 | 68% | 0.682 | S | S | * | * | 0 | 120.4 | 0 | -169.7 | 177.6 | -168.8 | 0 | 0 | 108.5 | |||||
| 2 | V | 75.2 | Confident | 85.7 | Confident | 109 Ų | 109 | 132.3 Ų | 132.3 | 66% | 0.661 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 133.6 | -178.4 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | R18 | V2-R18 PolarHBondContact O-NH1 3.42Å; V2-R18 PolarHBondContact O-NH2 3.34Å |
| 3 | R | 86.4 | Confident | 86.2 | Confident | 233 Ų | 233 | 135.9 Ų | 135.9 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 147.3 | 176.3 | -69.1 | -177.4 | 179.2 | 172.1 | -0.3 | 110.6 | ||
| 4 | Y | 89.4 | Confident | 86.5 | Confident | 90 Ų | 90 | 130.1 Ų | 130.1 | 35% | 0.353 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -73 | 152.1 | 171.1 | -73.9 | -86.5 | 0 | 0 | 0 | 109.5 | L6 K16 R18 | Y4-L6 VanDerWaalsContact C-N 3.28Å; Y4-L6 PolarHBondContact O-N 3.33Å; Y4-K16 HydrophobicContact CD1-CD 4.27Å; Y4-K16 HydrophobicContact CD2-CD 3.56Å; Y4-K16 HydrophobicContact CE1-CB 4.06Å; Y4-K16 HydrophobicContact CE1-CD 4.44Å; Y4-K16 HydrophobicContact CE2-CB 4.01Å; Y4-K16 HydrophobicContact CE2-CD 3.74Å; Y4-K16 HydrophobicContact CG-CD 3.84Å; Y4-R18 HydrophobicContact CE1-CB 4.13Å; Y4-R18 WeakPolarHBondContact OH-CB 3.36Å |
| 5 | S | 88.8 | Confident | 86.8 | Confident | 132 Ų | 132 | 130.2 Ų | 130.2 | 92% | 0.923 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -76.2 | -16.7 | 179.7 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 6 | L | 88.3 | Confident | 87 | Confident | 138 Ų | 138 | 127.8 Ų | 127.8 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | trans | -136 | 133.4 | 179.8 | -173.8 | 73.6 | 0 | 0 | 0 | 109.1 | Y4 K16 | Y4-L6 VanDerWaalsContact C-N 3.28Å; Y4-L6 PolarHBondContact O-N 3.33Å; L6-K16 PolarHBondContact O-NZ 2.82Å | ||
| 7 | D | 86.9 | Confident | 87.2 | Confident | 122 Ų | 122 | 123.8 Ų | 123.8 | 65% | 0.652 | 66% | 0.656 | S | S | * | * | trans | -98.8 | 134.6 | 167.7 | -71.8 | -45.4 | 0 | 0 | 0 | 110.3 | K16 | D7-K16 IonicContact OD1-NZ 2.77Å; D7-K16 PolarHBondContact OD1-NZ 2.71Å | ||
| 8 | P | 88.4 | Confident | 87.4 | Confident | 37 Ų | 37 | 122 Ų | 122 | 24% | 0.24 | 64% | 0.639 | C | S | . | * | trans | -70.6 | 140.9 | -178.2 | 29.2 | -34.2 | 0 | 0 | 0 | 109.2 | N10 S14 | P8-N10 PolarHBondContact O-N 3.49Å; P8-S14 WeakPolarHBondContact CB-OG 3.49Å | ||
| 9 | E | 89.3 | Confident | 87.5 | Confident | 208 Ų | 208 | 117.4 Ų | 117.4 | 97% | 0.972 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -58.2 | -38 | 172 | -66.5 | 175.2 | -177.2 | 0 | 0 | 111.3 | ||
| 10 | N | 91.6 | Very high | 87.7 | Confident | 64 Ų | 64 | 115.8 Ų | 115.8 | 34% | 0.342 | 62% | 0.623 | S | S | . | * | trans | -120.2 | 100.2 | 175.5 | -169.2 | -31.7 | 0 | 0 | 0 | 111.3 | P8 T12 K13 S14 | P8-N10 PolarHBondContact O-N 3.49Å; N10-T12 VanDerWaalsContact C-N 3.34Å; N10-T12 PolarHBondContact O-N 3.4Å; N10-T12 PolarHBondContact OD1-N 2.86Å; N10-T12 VanDerWaalsContact OD1-N 3.09Å; N10-T12 PolarHBondContact OD1-OG1 3.09Å; N10-K13 PolarHBondContact OD1-N 3.41Å; N10-S14 VanDerWaalsContact O-CB 3.25Å; N10-S14 WeakPolarHBondContact O-CB 3.25Å; N10-S14 PolarHBondContact O-N 2.77Å; N10-S14 PolarHBondContact O-OG 2.78Å | ||
| 11 | P | 88.9 | Confident | 87.8 | Confident | 94 Ų | 94 | 118.6 Ų | 118.6 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -63.6 | -31.9 | 180 | -24.5 | 34.7 | 0 | 0 | 0 | 114.7 | ||
| 12 | T | 92.4 | Very high | 89.1 | Confident | 128 Ų | 128 | 110.7 Ų | 110.7 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -26 | -174.7 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | N10 | N10-T12 VanDerWaalsContact C-N 3.34Å; N10-T12 PolarHBondContact O-N 3.4Å; N10-T12 PolarHBondContact OD1-N 2.86Å; N10-T12 VanDerWaalsContact OD1-N 3.09Å; N10-T12 PolarHBondContact OD1-OG1 3.09Å |
| 13 | K | 91.8 | Very high | 90 | Very high | 179 Ų | 179 | 115.7 Ų | 115.7 | 78% | 0.778 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 6 | 178.7 | -63.4 | -174 | 178.7 | 179.9 | 0 | 113.6 | N10 | N10-K13 PolarHBondContact OD1-N 3.41Š|
| 14 | S | 90.8 | Very high | 90.5 | Very high | 54 Ų | 54 | 106.4 Ų | 106.4 | 38% | 0.378 | 58% | 0.576 | S | S | . | * | trans | -120.8 | 138.7 | -174.5 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | P8 N10 | P8-S14 WeakPolarHBondContact CB-OG 3.49Å; N10-S14 VanDerWaalsContact O-CB 3.25Å; N10-S14 WeakPolarHBondContact O-CB 3.25Å; N10-S14 PolarHBondContact O-N 2.77Å; N10-S14 PolarHBondContact O-OG 2.78Å | ||
| 15 | C | 90.4 | Very high | 90.8 | Very high | 132 Ų | 132 | 107.1 Ų | 107.1 | 89% | 0.892 | 58% | 0.582 | S | S | * | * | trans | -111.7 | 146.6 | 174.4 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 16 | K | 90.1 | Very high | 91.1 | Very high | 91 Ų | 91 | 107.3 Ų | 107.3 | 40% | 0.396 | 57% | 0.566 | S | S | . | * | trans | -123.6 | 135.5 | 174.4 | -58.6 | -174.5 | -175.1 | -174.9 | 0 | 109.6 | Y4 L6 D7 | Y4-K16 HydrophobicContact CD1-CD 4.27Å; Y4-K16 HydrophobicContact CD2-CD 3.56Å; Y4-K16 HydrophobicContact CE1-CB 4.06Å; Y4-K16 HydrophobicContact CE1-CD 4.44Å; Y4-K16 HydrophobicContact CE2-CB 4.01Å; Y4-K16 HydrophobicContact CE2-CD 3.74Å; Y4-K16 HydrophobicContact CG-CD 3.84Å; L6-K16 PolarHBondContact O-NZ 2.82Å; D7-K16 IonicContact OD1-NZ 2.77Å; D7-K16 PolarHBondContact OD1-NZ 2.71Å | ||
| 17 | S | 90.9 | Very high | 91.5 | Very high | 60 Ų | 60 | 105.6 Ų | 105.6 | 42% | 0.42 | 55% | 0.553 | S | S | . | * | trans | -129.2 | 154.8 | 169.9 | 71.1 | 0 | 0 | 0 | 0 | 110.5 | M94 | S17-M94 PolarHBondContact OG-O 3.25Š| ||
| 18 | R | 90.9 | Very high | 91.9 | Very high | 92 Ų | 92 | 101.4 Ų | 101.4 | 35% | 0.347 | 53% | 0.53 | S | S | . | . | trans | -147.8 | 140.1 | -178.4 | -179.2 | -174.5 | -61.7 | 160 | -6.2 | 110.7 | V2 Y4 | V2-R18 PolarHBondContact O-NH1 3.42Å; V2-R18 PolarHBondContact O-NH2 3.34Å; Y4-R18 HydrophobicContact CE1-CB 4.13Å; Y4-R18 WeakPolarHBondContact OH-CB 3.36Å | ||
| 19 | G | 89.6 | Confident | 92.3 | Very high | 34 Ų | 34 | 100.9 Ų | 100.9 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | trans | -116.5 | 135.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 20 | S | 90.6 | Very high | 92.7 | Very high | 86 Ų | 86 | 93.6 Ų | 93.6 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | trans | -111.7 | 144.1 | 178.6 | -61.2 | 0 | 0 | 0 | 0 | 110 | L22 | S20-L22 PolarHBondContact O-N 3.49Å; S20-L22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | N | 89.6 | Confident | 93 | Very high | 174 Ų | 174 | 90.8 Ų | 90.8 | 93% | 0.93 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 50.9 | 36.9 | 176.3 | -62.4 | -23.4 | 0 | 0 | 0 | 114.5 | R23 | N21-R23 PolarHBondContact O-N 3.13Š|
| 22 | L | 91.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 86.3 Ų | 86.3 | 36% | 0.356 | 45% | 0.446 | S | S | . | . | trans | -67.5 | 132.1 | 178.2 | -59.6 | 177.5 | 0 | 0 | 0 | 110.6 | S20 V24 F90 M94 | S20-L22 PolarHBondContact O-N 3.49Å; S20-L22 VanDerWaalsContact O-N 3.13Å; L22-V24 HydrophobicContact CB-CG2 4.04Å; L22-V24 PolarHBondContact O-N 3.24Å; L22-F90 HydrophobicContact CD1-CD1 4.18Å; L22-F90 HydrophobicContact CD2-CD1 4.02Å; L22-F90 HydrophobicContact CD2-CE1 3.98Å; L22-F90 HydrophobicContact CG-CD1 4.48Å; L22-M94 HydrophobicContact CD1-SD 4.46Å | ||
| 23 | R | 94.4 | Very high | 93.5 | Very high | 214 Ų | 214 | 82 Ų | 82 | 81% | 0.808 | 42% | 0.424 | S | S | * | . | trans | -77.5 | 68.9 | 178.3 | -167.1 | 171.9 | 178.7 | 168.5 | -0.4 | 111.7 | N21 K86 | N21-R23 PolarHBondContact O-N 3.13Å; R23-K86 WeakPolarHBondContact O-CE 3.41Å; R23-K86 PolarHBondContact O-NZ 3.19Å | ||
| 24 | V | 95.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 78 Ų | 78 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -132.4 | 155.7 | -179.4 | -65.4 | 0 | 0 | 0 | 0 | 112 | L22 F26 T29 K86 F90 | L22-V24 HydrophobicContact CB-CG2 4.04Å; L22-V24 PolarHBondContact O-N 3.24Å; V24-F26 PolarHBondContact O-N 3.21Å; V24-T29 HydrophobicContact CG2-CG2 4.48Å; V24-T29 WeakPolarHBondContact CG2-OG1 3.44Å; V24-K86 HydrophobicContact CG1-CD 4.49Å; V24-K86 HydrophobicContact CG1-CG 4.3Å; V24-F90 HydrophobicContact CG1-CB 4.26Å; V24-F90 HydrophobicContact CG1-CD1 4.44Å; V24-F90 HydrophobicContact CG1-CD2 3.11Å; V24-F90 HydrophobicContact CG1-CE2 3.42Å; V24-F90 VanDerWaalsContact CG1-CE2 3.42Å; V24-F90 HydrophobicContact CG1-CG 3.69Å; V24-F90 HydrophobicContact CG1-CZ 4.21Å |
| 25 | H | 95.4 | Very high | 94 | Very high | 104 Ų | 104 | 76.1 Ų | 76.1 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | trans | -74.6 | 113.4 | 176.4 | -171.3 | -103.7 | 0 | 0 | 0 | 110.4 | K27 N28 T29 | H25-K27 PolarHBondContact O-N 3.09Å; H25-N28 HydrophobicContact CB-CB 4.3Å; H25-N28 PolarHBondContact ND1-N 3.33Å; H25-N28 PolarHBondContact ND1-OD1 3.06Å; H25-N28 PolarHBondContact O-N 3.34Å; H25-N28 VanDerWaalsContact O-N 3.15Å; H25-T29 PolarHBondContact O-N 3.39Å; H25-T29 PolarHBondContact O-OG1 3.38Å; H25-T29 VanDerWaalsContact O-OG1 3.13Å | ||
| 26 | F | 95.3 | Very high | 94.2 | Very high | 136 Ų | 136 | 70.9 Ų | 70.9 | 60% | 0.596 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -49.4 | -51.6 | -175.6 | 166.2 | -107.7 | 0 | 0 | 0 | 113.4 | V24 N28 T29 R30 Y63 | V24-F26 PolarHBondContact O-N 3.21Å; F26-N28 VanDerWaalsContact C-N 3.29Å; F26-N28 PolarHBondContact O-N 3.09Å; F26-T29 PolarHBondContact O-N 2.96Å; F26-R30 WeakPolarHBondContact O-CB 3.39Å; F26-R30 PolarHBondContact O-N 2.85Å; F26-Y63 HydrophobicContact CE1-CE2 4.16Å; F26-Y63 WeakPolarHBondContact CE1-OH 3.35Å |
| 27 | K | 96.9 | Very high | 94.4 | Very high | 102 Ų | 102 | 74.1 Ų | 74.1 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | -175.4 | -61 | -179.1 | 177.2 | 176.5 | 0 | 111.9 | H25 E31 Y63 | H25-K27 PolarHBondContact O-N 3.09Å; K27-E31 WeakPolarHBondContact O-CG 3.49Å; K27-E31 PolarHBondContact O-N 3.47Å; K27-Y63 HydrophobicContact CB-CD1 4.39Å; K27-Y63 HydrophobicContact CB-CD2 3.57Å; K27-Y63 HydrophobicContact CB-CE2 4.15Å; K27-Y63 HydrophobicContact CB-CG 3.7Å; K27-Y63 HydrophobicContact CD-CD1 3.76Å; K27-Y63 HydrophobicContact CD-CD2 4.47Å; K27-Y63 HydrophobicContact CD-CE1 4.26Å; K27-Y63 HydrophobicContact CD-CG 3.88Å; K27-Y63 HydrophobicContact CG-CD1 3.91Å; K27-Y63 HydrophobicContact CG-CD2 3.81Å; K27-Y63 HydrophobicContact CG-CE1 4.15Å; K27-Y63 HydrophobicContact CG-CE2 4.03Å; K27-Y63 HydrophobicContact CG-CG 3.73Å |
| 28 | N | 96.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 75.4 Ų | 75.4 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.6 | -44.8 | 179.8 | -65.2 | -0.7 | 0 | 0 | 0 | 110.6 | H25 F26 R30 E31 T32 P84 | H25-N28 HydrophobicContact CB-CB 4.3Å; H25-N28 PolarHBondContact ND1-N 3.33Å; H25-N28 PolarHBondContact ND1-OD1 3.06Å; H25-N28 PolarHBondContact O-N 3.34Å; H25-N28 VanDerWaalsContact O-N 3.15Å; F26-N28 VanDerWaalsContact C-N 3.29Å; F26-N28 PolarHBondContact O-N 3.09Å; N28-R30 VanDerWaalsContact C-N 3.27Å; N28-R30 PolarHBondContact O-N 3.29Å; N28-E31 PolarHBondContact O-N 3.3Å; N28-T32 WeakPolarHBondContact O-CG2 3.44Å; N28-T32 PolarHBondContact O-N 3.25Å; N28-T32 PolarHBondContact O-OG1 3.07Å; N28-P84 HydrophobicContact CB-CB 3.92Å |
| 29 | T | 96.8 | Very high | 94.7 | Very high | 27 Ų | 27 | 73 Ų | 73 | 17% | 0.166 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 179.9 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | V24 H25 F26 T32 A33 S87 | V24-T29 HydrophobicContact CG2-CG2 4.48Å; V24-T29 WeakPolarHBondContact CG2-OG1 3.44Å; H25-T29 PolarHBondContact O-N 3.39Å; H25-T29 PolarHBondContact O-OG1 3.38Å; H25-T29 VanDerWaalsContact O-OG1 3.13Å; F26-T29 PolarHBondContact O-N 2.96Å; T29-T32 VanDerWaalsContact C-OG1 3.32Å; T29-T32 VanDerWaalsContact CA-OG1 3.24Å; T29-T32 WeakPolarHBondContact CA-OG1 3.35Å; T29-T32 PolarHBondContact O-OG1 3.33Å; T29-A33 WeakPolarHBondContact O-CB 3.5Å; T29-A33 PolarHBondContact O-N 3.31Å; T29-S87 PolarHBondContact N-OG 3.32Å; T29-S87 PolarHBondContact OG1-OG 3.01Å |
| 30 | R | 97 | Very high | 95 | Very high | 55 Ų | 55 | 77.6 Ų | 77.6 | 21% | 0.208 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 175 | -175.3 | -89.1 | 169.3 | 166.9 | -2.2 | 111.9 | F26 N28 A33 Q34 R62 Y63 | F26-R30 WeakPolarHBondContact O-CB 3.39Å; F26-R30 PolarHBondContact O-N 2.85Å; N28-R30 VanDerWaalsContact C-N 3.27Å; N28-R30 PolarHBondContact O-N 3.29Å; R30-A33 PolarHBondContact O-N 3.15Å; R30-Q34 WeakPolarHBondContact O-CB 3.47Å; R30-Q34 PolarHBondContact O-N 3.28Å; R30-R62 VanDerWaalsContact CZ-CZ 3.45Å; R30-Y63 HydrophobicContact CB-CE2 4.26Å; R30-Y63 HydrophobicContact CG-CE2 4.22Å |
| 31 | E | 97.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 78.6 Ų | 78.6 | 2% | 0.019 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | 179.6 | -60.1 | -56.5 | 128.5 | 0 | 0 | 111 | K27 N28 Q34 A35 V58 F60 R61 R62 Y63 | K27-E31 WeakPolarHBondContact O-CG 3.49Å; K27-E31 PolarHBondContact O-N 3.47Å; N28-E31 PolarHBondContact O-N 3.3Å; E31-Q34 PolarHBondContact O-N 3.28Å; E31-A35 PolarHBondContact O-N 3.44Å; E31-V58 HydrophobicContact CB-CG1 4.2Å; E31-F60 HydrophobicContact CB-CD1 4.26Å; E31-F60 HydrophobicContact CB-CE1 4.32Å; E31-F60 HydrophobicContact CB-CG 4.37Å; E31-F60 HydrophobicContact CB-CZ 4.46Å; E31-F60 HydrophobicContact CG-CB 4.47Å; E31-F60 HydrophobicContact CG-CD1 3.72Å; E31-F60 HydrophobicContact CG-CE1 4.06Å; E31-F60 HydrophobicContact CG-CG 4.08Å; E31-R61 PolarHBondContact OE2-N 3.39Å; E31-R62 PolarHBondContact OE2-N 3.19Å; E31-Y63 HydrophobicContact CG-CD2 4.48Å; E31-Y63 WeakPolarHBondContact OE1-CD2 3.45Å |
| 32 | T | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.2 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | N28 T29 Q34 A35 I36 V58 P84 L91 | N28-T32 WeakPolarHBondContact O-CG2 3.44Å; N28-T32 PolarHBondContact O-N 3.25Å; N28-T32 PolarHBondContact O-OG1 3.07Å; T29-T32 VanDerWaalsContact C-OG1 3.32Å; T29-T32 VanDerWaalsContact CA-OG1 3.24Å; T29-T32 WeakPolarHBondContact CA-OG1 3.35Å; T29-T32 PolarHBondContact O-OG1 3.33Å; T32-Q34 VanDerWaalsContact C-N 3.31Å; T32-A35 WeakPolarHBondContact O-CB 3.19Å; T32-A35 PolarHBondContact O-N 2.89Å; T32-I36 PolarHBondContact O-N 3.21Å; T32-V58 HydrophobicContact CG2-CB 4.39Å; T32-V58 HydrophobicContact CG2-CG1 4.07Å; T32-V58 HydrophobicContact CG2-CG2 3.76Å; T32-P84 HydrophobicContact CG2-CB 4.21Å; T32-P84 HydrophobicContact CG2-CG 3.15Å; T32-L91 VanDerWaalsContact OG1-CD1 3.23Å; T32-L91 WeakPolarHBondContact OG1-CD1 3.41Å |
| 33 | A | 95.9 | Very high | 95.6 | Very high | 39 Ų | 39 | 83.4 Ų | 83.4 | 32% | 0.322 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T29 R30 A35 I36 K37 L91 | T29-A33 WeakPolarHBondContact O-CB 3.5Å; T29-A33 PolarHBondContact O-N 3.31Å; R30-A33 PolarHBondContact O-N 3.15Å; A33-A35 VanDerWaalsContact C-N 3.31Å; A33-A35 PolarHBondContact O-N 2.82Å; A33-I36 VanDerWaalsContact O-CG1 3.23Å; A33-I36 WeakPolarHBondContact O-CG1 3.23Å; A33-I36 PolarHBondContact O-N 3.48Å; A33-K37 PolarHBondContact O-N 3.27Å; A33-L91 HydrophobicContact CB-CD1 4.36Å; A33-L91 HydrophobicContact CB-CD2 4.44Å |
| 34 | Q | 96.3 | Very high | 95.7 | Very high | 93 Ų | 93 | 73.4 Ų | 73.4 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 174.5 | -173.1 | 63.9 | 32.6 | 0 | 0 | 111.7 | R30 E31 T32 I36 K37 | R30-Q34 WeakPolarHBondContact O-CB 3.47Å; R30-Q34 PolarHBondContact O-N 3.28Å; E31-Q34 PolarHBondContact O-N 3.28Å; T32-Q34 VanDerWaalsContact C-N 3.31Å; Q34-I36 VanDerWaalsContact C-N 3.33Å; Q34-I36 PolarHBondContact O-N 2.94Å; Q34-K37 WeakPolarHBondContact O-CB 3.38Å; Q34-K37 PolarHBondContact O-N 3.38Å |
| 35 | A | 95.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 73.4 Ų | 73.4 | 12% | 0.124 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -34.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E31 T32 A33 M39 Y47 V58 | E31-A35 PolarHBondContact O-N 3.44Å; T32-A35 WeakPolarHBondContact O-CB 3.19Å; T32-A35 PolarHBondContact O-N 2.89Å; A33-A35 VanDerWaalsContact C-N 3.31Å; A33-A35 PolarHBondContact O-N 2.82Å; A35-M39 WeakPolarHBondContact O-CE 3.24Å; A35-Y47 HydrophobicContact CB-CE1 4Å; A35-V58 HydrophobicContact CB-CG1 4.24Å |
| 36 | I | 95.7 | Very high | 95.9 | Very high | 23 Ų | 23 | 75.2 Ų | 75.2 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -87.9 | -6.7 | 178.9 | 62.2 | 172.1 | 0 | 0 | 0 | 114.1 | T32 A33 Q34 G38 M39 A44 Y47 L48 L91 L95 | T32-I36 PolarHBondContact O-N 3.21Å; A33-I36 VanDerWaalsContact O-CG1 3.23Å; A33-I36 WeakPolarHBondContact O-CG1 3.23Å; A33-I36 PolarHBondContact O-N 3.48Å; Q34-I36 VanDerWaalsContact C-N 3.33Å; Q34-I36 PolarHBondContact O-N 2.94Å; I36-G38 PolarHBondContact O-N 3.43Å; I36-M39 WeakPolarHBondContact O-CB 3.23Å; I36-M39 PolarHBondContact O-N 3.22Å; I36-M39 VanDerWaalsContact O-N 3.1Å; I36-A44 HydrophobicContact CB-CB 4.21Å; I36-A44 HydrophobicContact CG2-CB 4.29Å; I36-Y47 HydrophobicContact CG2-CD1 3.69Å; I36-Y47 HydrophobicContact CG2-CE1 4.13Å; I36-L48 HydrophobicContact CD1-CD1 4.3Å; I36-L48 HydrophobicContact CG2-CD1 4.34Å; I36-L48 HydrophobicContact CG2-CD2 3.96Å; I36-L48 HydrophobicContact CG2-CG 4.01Å; I36-L91 HydrophobicContact CD1-CD1 4.17Å; I36-L95 HydrophobicContact CD1-CD1 4.46Å |
| 37 | K | 94.4 | Very high | 95.9 | Very high | 159 Ų | 159 | 69 Ų | 69 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 127 | -177.6 | -171.9 | -179.8 | -179.7 | -177.9 | 0 | 110.3 | A33 Q34 M39 | A33-K37 PolarHBondContact O-N 3.27Å; Q34-K37 WeakPolarHBondContact O-CB 3.38Å; Q34-K37 PolarHBondContact O-N 3.38Å; K37-M39 VanDerWaalsContact C-N 3.28Å; K37-M39 PolarHBondContact O-N 3.25Å |
| 38 | G | 92.4 | Very high | 95.9 | Very high | 87 Ų | 87 | 64.2 Ų | 64.2 | 90% | 0.897 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 1.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I36 | I36-G38 PolarHBondContact O-N 3.43Š|
| 39 | M | 95.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | trans | -80.4 | 145.9 | 172.6 | -65.1 | -171.1 | -178.3 | 0 | 0 | 111.6 | A35 I36 K37 K43 A44 W76 | A35-M39 WeakPolarHBondContact O-CE 3.24Å; I36-M39 WeakPolarHBondContact O-CB 3.23Å; I36-M39 PolarHBondContact O-N 3.22Å; I36-M39 VanDerWaalsContact O-N 3.1Å; K37-M39 VanDerWaalsContact C-N 3.28Å; K37-M39 PolarHBondContact O-N 3.25Å; M39-K43 HydrophobicContact SD-CG 4.45Å; M39-A44 HydrophobicContact CB-CB 4.12Å; M39-W76 HydrophobicContact CE-CH2 3.47Å; M39-W76 VanDerWaalsContact CE-CH2 3.47Å; M39-W76 HydrophobicContact CE-CZ3 3.88Å | ||
| 40 | H | 95.6 | Very high | 96 | Very high | 132 Ų | 132 | 68 Ų | 68 | 61% | 0.611 | 34% | 0.338 | S | S | * | . | trans | -61.8 | 140.5 | 166.2 | -172 | -91.8 | 0 | 0 | 0 | 110.5 | R42 K43 A44 | H40-R42 VanDerWaalsContact C-N 3.3Å; H40-R42 PolarHBondContact ND1-N 2.86Å; H40-R42 PolarHBondContact O-N 3.13Å; H40-R42 VanDerWaalsContact O-N 3.15Å; H40-K43 WeakPolarHBondContact O-CA 3.36Å; H40-K43 WeakPolarHBondContact O-CB 3.38Å; H40-K43 PolarHBondContact O-N 3.08Å; H40-A44 PolarHBondContact O-N 3.27Å | ||
| 41 | I | 93.5 | Very high | 96 | Very high | 106 Ų | 106 | 65.4 Ų | 65.4 | 54% | 0.544 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.6 | -46.2 | -171.9 | -63.3 | 172 | 0 | 0 | 0 | 111.9 | K43 A44 T45 | I41-K43 VanDerWaalsContact C-N 3.31Å; I41-K43 PolarHBondContact O-N 2.9Å; I41-A44 PolarHBondContact O-N 3.38Å; I41-T45 PolarHBondContact O-N 3.02Å; I41-T45 PolarHBondContact O-OG1 2.77Å |
| 42 | R | 95.6 | Very high | 95.9 | Very high | 208 Ų | 208 | 66.9 Ų | 66.9 | 79% | 0.785 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.4 | -40.1 | 177.9 | -65.5 | -178.6 | -179.4 | 173 | -0.9 | 113 | H40 K46 | H40-R42 VanDerWaalsContact C-N 3.3Å; H40-R42 PolarHBondContact ND1-N 2.86Å; H40-R42 PolarHBondContact O-N 3.13Å; H40-R42 VanDerWaalsContact O-N 3.15Å; R42-K46 PolarHBondContact O-N 3.39Å; R42-K46 VanDerWaalsContact O-N 3.15Å |
| 43 | K | 96.4 | Very high | 95.9 | Very high | 136 Ų | 136 | 72 Ų | 72 | 59% | 0.591 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -71.7 | -42.8 | 178.2 | -175.4 | 177.4 | 178.7 | 177.8 | 0 | 110.8 | M39 H40 I41 K46 Y47 | M39-K43 HydrophobicContact SD-CG 4.45Å; H40-K43 WeakPolarHBondContact O-CA 3.36Å; H40-K43 WeakPolarHBondContact O-CB 3.38Å; H40-K43 PolarHBondContact O-N 3.08Å; I41-K43 VanDerWaalsContact C-N 3.31Å; I41-K43 PolarHBondContact O-N 2.9Å; K43-K46 PolarHBondContact O-N 3.29Å; K43-Y47 WeakPolarHBondContact O-CB 3.37Å; K43-Y47 PolarHBondContact O-N 3.48Å |
| 44 | A | 96.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 76 Ų | 76 | 3% | 0.033 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I36 M39 H40 I41 K46 Y47 L48 L95 | I36-A44 HydrophobicContact CB-CB 4.21Å; I36-A44 HydrophobicContact CG2-CB 4.29Å; M39-A44 HydrophobicContact CB-CB 4.12Å; H40-A44 PolarHBondContact O-N 3.27Å; I41-A44 PolarHBondContact O-N 3.38Å; A44-K46 PolarHBondContact O-N 3.18Å; A44-Y47 PolarHBondContact O-N 3.5Å; A44-L48 WeakPolarHBondContact O-CG 3.29Å; A44-L48 PolarHBondContact O-N 2.99Å; A44-L95 HydrophobicContact CB-CD1 4.21Å |
| 45 | T | 96.1 | Very high | 95.9 | Very high | 38 Ų | 38 | 78.1 Ų | 78.1 | 23% | 0.233 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 177.2 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | I41 K49 L92 | I41-T45 PolarHBondContact O-N 3.02Å; I41-T45 PolarHBondContact O-OG1 2.77Å; T45-K49 WeakPolarHBondContact O-CG 3.45Å; T45-K49 PolarHBondContact O-N 3.25Å; T45-L92 HydrophobicContact CG2-CD2 3.76Å |
| 46 | K | 97.2 | Very high | 95.8 | Very high | 142 Ų | 142 | 79.8 Ų | 79.8 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.3 | -48.1 | 174.5 | -176.6 | 177.3 | 178.9 | 179.3 | 0 | 111.1 | R42 K43 A44 L48 K49 D50 | R42-K46 PolarHBondContact O-N 3.39Å; R42-K46 VanDerWaalsContact O-N 3.15Å; K43-K46 PolarHBondContact O-N 3.29Å; A44-K46 PolarHBondContact O-N 3.18Å; K46-L48 PolarHBondContact O-N 3.42Å; K46-K49 PolarHBondContact O-N 3.49Å; K46-D50 PolarHBondContact O-N 3.44Å |
| 47 | Y | 96.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 78.7 Ų | 78.7 | 2% | 0.024 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 179.5 | 174.3 | -107.9 | 0 | 0 | 0 | 112.3 | A35 I36 K43 A44 K49 D50 V51 Q56 C57 V58 W76 | A35-Y47 HydrophobicContact CB-CE1 4Å; I36-Y47 HydrophobicContact CG2-CD1 3.69Å; I36-Y47 HydrophobicContact CG2-CE1 4.13Å; K43-Y47 WeakPolarHBondContact O-CB 3.37Å; K43-Y47 PolarHBondContact O-N 3.48Å; A44-Y47 PolarHBondContact O-N 3.5Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 3.04Å; Y47-D50 WeakPolarHBondContact O-CB 3.07Å; Y47-D50 PolarHBondContact O-N 3.35Å; Y47-D50 VanDerWaalsContact O-N 3.09Å; Y47-V51 HydrophobicContact CD1-CG2 4.31Å; Y47-V51 HydrophobicContact CD2-CG2 4.42Å; Y47-V51 HydrophobicContact CE1-CG2 3.91Å; Y47-V51 HydrophobicContact CE2-CG2 4Å; Y47-V51 WeakPolarHBondContact O-CG2 3.48Å; Y47-V51 PolarHBondContact O-N 2.95Å; Y47-Q56 HydrophobicContact CD2-CB 4.23Å; Y47-Q56 VanDerWaalsContact CD2-OE1 3.29Å; Y47-Q56 HydrophobicContact CE2-CB 3.96Å; Y47-C57 PolarHBondContact OH-O 3.45Å; Y47-V58 WeakPolarHBondContact OH-CA 3.5Å; Y47-W76 HydrophobicContact CD2-CZ2 4.23Å; Y47-W76 HydrophobicContact CE2-CH2 4.35Å; Y47-W76 AromaticContact CE2-CZ2 3.56Å; Y47-W76 HydrophobicContact CE2-CZ2 3.56Å; Y47-W76 AromaticContact CZ-CZ2 3.99Å |
| 48 | L | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.7 | -33.8 | -179.7 | -67.1 | 168 | 0 | 0 | 0 | 112.5 | I36 A44 K46 V51 T52 A88 L91 L92 L95 | I36-L48 HydrophobicContact CD1-CD1 4.3Å; I36-L48 HydrophobicContact CG2-CD1 4.34Å; I36-L48 HydrophobicContact CG2-CD2 3.96Å; I36-L48 HydrophobicContact CG2-CG 4.01Å; A44-L48 WeakPolarHBondContact O-CG 3.29Å; A44-L48 PolarHBondContact O-N 2.99Å; K46-L48 PolarHBondContact O-N 3.42Å; L48-V51 PolarHBondContact O-N 3.38Å; L48-T52 PolarHBondContact O-N 2.81Å; L48-A88 HydrophobicContact CD2-CB 4.12Å; L48-L91 HydrophobicContact CD1-CB 3.84Å; L48-L91 HydrophobicContact CD2-CB 4.32Å; L48-L91 HydrophobicContact CD2-CD1 4.14Å; L48-L92 HydrophobicContact CB-CD1 3.97Å; L48-L92 HydrophobicContact CB-CD2 3.7Å; L48-L92 HydrophobicContact CB-CG 3.57Å; L48-L92 HydrophobicContact CD1-CD2 4.09Å; L48-L92 HydrophobicContact CD1-CG 4.03Å; L48-L92 HydrophobicContact CG-CG 4.46Å; L48-L95 HydrophobicContact CD1-CD1 3.65Å |
| 49 | K | 97.1 | Very high | 96.2 | Very high | 118 Ų | 118 | 67.4 Ų | 67.4 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 170.7 | -71.5 | 177.3 | 179 | -175.7 | 0 | 111.9 | T45 K46 Y47 V51 T52 L53 L92 | T45-K49 WeakPolarHBondContact O-CG 3.45Å; T45-K49 PolarHBondContact O-N 3.25Å; K46-K49 PolarHBondContact O-N 3.49Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 3.04Å; K49-V51 VanDerWaalsContact C-N 3.28Å; K49-V51 PolarHBondContact O-N 2.87Å; K49-T52 PolarHBondContact O-N 3.31Å; K49-T52 PolarHBondContact O-OG1 3.42Å; K49-L53 WeakPolarHBondContact O-CG 3.02Å; K49-L53 PolarHBondContact O-N 3.15Å; K49-L92 HydrophobicContact CG-CD1 3.99Å; K49-L92 HydrophobicContact CG-CD2 4.23Å |
| 50 | D | 97.2 | Very high | 96.3 | Very high | 24 Ų | 24 | 65.6 Ų | 65.6 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.2 | -32.1 | 175.7 | -72.4 | -17 | 0 | 0 | 0 | 111.8 | K46 Y47 L53 Q54 K55 Q56 | K46-D50 PolarHBondContact O-N 3.44Å; Y47-D50 WeakPolarHBondContact O-CB 3.07Å; Y47-D50 PolarHBondContact O-N 3.35Å; Y47-D50 VanDerWaalsContact O-N 3.09Å; D50-L53 CarbonylContact O-C 3.52Å; D50-L53 PolarHBondContact O-N 3.47Å; D50-Q54 PolarHBondContact O-N 3.1Å; D50-Q54 VanDerWaalsContact O-N 3.1Å; D50-K55 HydrophobicContact CB-CB 4.14Å; D50-K55 PolarHBondContact O-N 3Å; D50-Q56 HydrophobicContact CB-CB 4.13Å; D50-Q56 HydrophobicContact CB-CG 3.95Å; D50-Q56 PolarHBondContact O-N 3.35Å; D50-Q56 PolarHBondContact OD2-NE2 3.22Å |
| 51 | V | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 173.8 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | Y47 L48 K49 L53 Q54 Q56 V58 A88 | Y47-V51 HydrophobicContact CD1-CG2 4.31Å; Y47-V51 HydrophobicContact CD2-CG2 4.42Å; Y47-V51 HydrophobicContact CE1-CG2 3.91Å; Y47-V51 HydrophobicContact CE2-CG2 4Å; Y47-V51 WeakPolarHBondContact O-CG2 3.48Å; Y47-V51 PolarHBondContact O-N 2.95Å; L48-V51 PolarHBondContact O-N 3.38Å; K49-V51 VanDerWaalsContact C-N 3.28Å; K49-V51 PolarHBondContact O-N 2.87Å; V51-L53 VanDerWaalsContact C-N 3.27Å; V51-L53 PolarHBondContact O-N 3.33Å; V51-Q54 PolarHBondContact O-N 2.88Å; V51-Q54 VanDerWaalsContact O-N 3.14Å; V51-Q56 WeakPolarHBondContact CA-O 3.41Å; V51-Q56 WeakPolarHBondContact CG2-O 3.42Å; V51-V58 HydrophobicContact CG1-CG2 3.88Å; V51-V58 HydrophobicContact CG2-CG2 3.82Å; V51-A88 HydrophobicContact CB-CB 4.39Å; V51-A88 HydrophobicContact CG1-CB 4.06Å |
| 52 | T | 96 | Very high | 96.4 | Very high | 34 Ų | 34 | 68.3 Ų | 68.3 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.5 | -30.4 | 177.5 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | L48 K49 Q54 K85 A88 E89 | L48-T52 PolarHBondContact O-N 2.81Å; K49-T52 PolarHBondContact O-N 3.31Å; K49-T52 PolarHBondContact O-OG1 3.42Å; T52-Q54 VanDerWaalsContact C-N 3.31Å; T52-K85 HydrophobicContact CG2-CG 4.22Å; T52-A88 HydrophobicContact CG2-CB 3.9Å; T52-E89 HydrophobicContact CG2-CG 4Å |
| 53 | L | 96.8 | Very high | 96.4 | Very high | 109 Ų | 109 | 61.6 Ų | 61.6 | 57% | 0.571 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 3.6 | 174.1 | -62.5 | 177.1 | 0 | 0 | 0 | 113.9 | K49 D50 V51 K55 | K49-L53 WeakPolarHBondContact O-CG 3.02Å; K49-L53 PolarHBondContact O-N 3.15Å; D50-L53 CarbonylContact O-C 3.52Å; D50-L53 PolarHBondContact O-N 3.47Å; V51-L53 VanDerWaalsContact C-N 3.27Å; V51-L53 PolarHBondContact O-N 3.33Å; L53-K55 HydrophobicContact CB-CD 4.28Å; L53-K55 HydrophobicContact CB-CG 4.1Å; L53-K55 HydrophobicContact CD1-CD 4.45Å; L53-K55 PolarHBondContact O-N 3.06Å; L53-K55 VanDerWaalsContact O-N 3.13Å |
| 54 | Q | 95.4 | Very high | 96.3 | Very high | 122 Ų | 122 | 57.5 Ų | 57.5 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 19 | -178 | -51.7 | -177.8 | 14.9 | 0 | 0 | 115.7 | D50 V51 T52 Q72 W83 | D50-Q54 PolarHBondContact O-N 3.1Å; D50-Q54 VanDerWaalsContact O-N 3.1Å; V51-Q54 PolarHBondContact O-N 2.88Å; V51-Q54 VanDerWaalsContact O-N 3.14Å; T52-Q54 VanDerWaalsContact C-N 3.31Å; Q54-Q72 PolarHBondContact O-NE2 3.28Å; Q54-W83 VanDerWaalsContact CA-CD1 3.41Å; Q54-W83 HydrophobicContact CB-CD2 4.17Å; Q54-W83 HydrophobicContact CB-CG 3.99Å; Q54-W83 HydrophobicContact CG-CB 3.97Å; Q54-W83 HydrophobicContact CG-CD2 4.28Å; Q54-W83 HydrophobicContact CG-CG 3.9Å; Q54-W83 PolarHBondContact O-NE1 3.4Å |
| 55 | K | 95.9 | Very high | 96.2 | Very high | 138 Ų | 138 | 60.9 Ų | 60.9 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -77.5 | -31.6 | 177.7 | -66.8 | -178.3 | 177.9 | -178.7 | 0 | 112.4 | D50 L53 Q72 | D50-K55 HydrophobicContact CB-CB 4.14Å; D50-K55 PolarHBondContact O-N 3Å; L53-K55 HydrophobicContact CB-CD 4.28Å; L53-K55 HydrophobicContact CB-CG 4.1Å; L53-K55 HydrophobicContact CD1-CD 4.45Å; L53-K55 PolarHBondContact O-N 3.06Å; L53-K55 VanDerWaalsContact O-N 3.13Å; K55-Q72 PolarHBondContact O-NE2 3.37Å; K55-Q72 PolarHBondContact O-OE1 2.99Å |
| 56 | Q | 95.5 | Very high | 96 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 23% | 0.229 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -132.7 | 133.2 | 176.8 | -64 | -168.4 | 43.7 | 0 | 0 | 110.5 | Y47 D50 V51 Q72 W83 | Y47-Q56 HydrophobicContact CD2-CB 4.23Å; Y47-Q56 VanDerWaalsContact CD2-OE1 3.29Å; Y47-Q56 HydrophobicContact CE2-CB 3.96Å; D50-Q56 HydrophobicContact CB-CB 4.13Å; D50-Q56 HydrophobicContact CB-CG 3.95Å; D50-Q56 PolarHBondContact O-N 3.35Å; D50-Q56 PolarHBondContact OD2-NE2 3.22Å; V51-Q56 WeakPolarHBondContact CA-O 3.41Å; V51-Q56 WeakPolarHBondContact CG2-O 3.42Å; Q56-Q72 VanDerWaalsContact C-OE1 3.28Å; Q56-W83 PolarHBondContact O-NE1 3.15Å |
| 57 | C | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 157 | 178.2 | 75.2 | 0 | 0 | 0 | 0 | 112.1 | Y47 Q72 A73 W76 W83 | Y47-C57 PolarHBondContact OH-O 3.45Å; C57-Q72 HydrophobicContact CB-CB 4.04Å; C57-A73 VanDerWaalsContact SG-CA 3.53Å; C57-A73 PolarHBondContact SG-N 3.17Å; C57-W76 PolarHBondContact O-NE1 3.09Å; C57-W83 HydrophobicContact CB-CZ2 4.2Å |
| 58 | V | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.8 | 165.7 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | E31 T32 A35 Y47 V51 F60 G81 R82 P84 | E31-V58 HydrophobicContact CB-CG1 4.2Å; T32-V58 HydrophobicContact CG2-CB 4.39Å; T32-V58 HydrophobicContact CG2-CG1 4.07Å; T32-V58 HydrophobicContact CG2-CG2 3.76Å; A35-V58 HydrophobicContact CB-CG1 4.24Å; Y47-V58 WeakPolarHBondContact OH-CA 3.5Å; V51-V58 HydrophobicContact CG1-CG2 3.88Å; V51-V58 HydrophobicContact CG2-CG2 3.82Å; V58-F60 HydrophobicContact CB-CE2 4.16Å; V58-F60 HydrophobicContact CG1-CD2 4.46Å; V58-F60 HydrophobicContact CG1-CE2 4.18Å; V58-F60 VanDerWaalsContact O-CD2 3.31Å; V58-F60 WeakPolarHBondContact O-CD2 3.36Å; V58-F60 PolarHBondContact O-N 3.36Å; V58-G81 WeakPolarHBondContact O-CA 3.31Å; V58-R82 PolarHBondContact N-O 3.24Å; V58-R82 PolarHBondContact O-N 2.86Å; V58-R82 VanDerWaalsContact O-N 3.09Å; V58-P84 HydrophobicContact CB-CG 4.44Å; V58-P84 HydrophobicContact CG2-CG 4.12Å |
| 59 | P | 97.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.5 | 173.8 | 29.9 | -33.3 | 0 | 0 | 0 | 110.1 | W76 W78 | P59-W76 HydrophobicContact CB-CB 4.06Å; P59-W76 HydrophobicContact CB-CG 4.18Å; P59-W76 HydrophobicContact CG-CB 4.02Å; P59-W76 HydrophobicContact CG-CD2 4.18Å; P59-W76 HydrophobicContact CG-CG 3.79Å; P59-W78 HydrophobicContact CB-CB 4.35Å |
| 60 | F | 96.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | trans | -95.8 | 109.9 | 175.6 | -80.6 | -115.5 | 0 | 0 | 0 | 108.4 | E31 V58 Y63 N64 V67 W78 Q80 R82 P84 | E31-F60 HydrophobicContact CB-CD1 4.26Å; E31-F60 HydrophobicContact CB-CE1 4.32Å; E31-F60 HydrophobicContact CB-CG 4.37Å; E31-F60 HydrophobicContact CB-CZ 4.46Å; E31-F60 HydrophobicContact CG-CB 4.47Å; E31-F60 HydrophobicContact CG-CD1 3.72Å; E31-F60 HydrophobicContact CG-CE1 4.06Å; E31-F60 HydrophobicContact CG-CG 4.08Å; V58-F60 HydrophobicContact CB-CE2 4.16Å; V58-F60 HydrophobicContact CG1-CD2 4.46Å; V58-F60 HydrophobicContact CG1-CE2 4.18Å; V58-F60 VanDerWaalsContact O-CD2 3.31Å; V58-F60 WeakPolarHBondContact O-CD2 3.36Å; V58-F60 PolarHBondContact O-N 3.36Å; F60-Y63 WeakPolarHBondContact CD1-O 3.42Å; F60-N64 HydrophobicContact CB-CB 4.23Å; F60-N64 WeakPolarHBondContact O-CB 3.37Å; F60-V67 HydrophobicContact CB-CG1 4.27Å; F60-V67 HydrophobicContact CB-CG2 4.32Å; F60-V67 HydrophobicContact CD1-CG2 4.18Å; F60-V67 HydrophobicContact CG-CG1 4.4Å; F60-V67 HydrophobicContact CG-CG2 4.34Å; F60-W78 PolarHBondContact O-NE1 2.87Å; F60-Q80 PolarHBondContact N-O 2.91Å; F60-Q80 VanDerWaalsContact N-O 3.15Å; F60-R82 HydrophobicContact CD2-CB 4.17Å; F60-R82 HydrophobicContact CD2-CG 4.16Å; F60-R82 HydrophobicContact CE2-CB 3.57Å; F60-R82 HydrophobicContact CE2-CG 3.94Å; F60-R82 HydrophobicContact CZ-CB 4.05Å; F60-R82 HydrophobicContact CZ-CG 4.3Å; F60-P84 HydrophobicContact CE2-CG 4.5Å; F60-P84 HydrophobicContact CZ-CG 4.34Å | ||
| 61 | R | 94.2 | Very high | 95.5 | Very high | 141 Ų | 141 | 68.2 Ų | 68.2 | 53% | 0.532 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -104 | -46.2 | -174.9 | -67.2 | -175.2 | 176.6 | -174.8 | -1.7 | 113.3 | E31 W76 W78 | E31-R61 PolarHBondContact OE2-N 3.39Å; R61-W76 PolarHBondContact NH2-O 3.18Å; R61-W76 VanDerWaalsContact NH2-O 3.17Å; R61-W78 HydrophobicContact CG-CD2 4.27Å; R61-W78 HydrophobicContact CG-CZ2 4.41Å |
| 62 | R | 95.9 | Very high | 95.4 | Very high | 155 Ų | 155 | 71.2 Ų | 71.2 | 59% | 0.585 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -93 | -45.6 | -178.9 | -176.1 | -176.8 | -73.2 | 176.7 | -5.4 | 112.3 | R30 E31 N64 | R30-R62 VanDerWaalsContact CZ-CZ 3.45Å; E31-R62 PolarHBondContact OE2-N 3.19Å; R62-N64 PolarHBondContact O-N 3.22Å |
| 63 | Y | 95.8 | Very high | 95.4 | Very high | 67 Ų | 67 | 69.6 Ų | 69.6 | 26% | 0.263 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -100.2 | 60.3 | -177.8 | -60.1 | -57.7 | 0 | 0 | 0 | 111 | F26 K27 R30 E31 F60 | F26-Y63 HydrophobicContact CE1-CE2 4.16Å; F26-Y63 WeakPolarHBondContact CE1-OH 3.35Å; K27-Y63 HydrophobicContact CB-CD1 4.39Å; K27-Y63 HydrophobicContact CB-CD2 3.57Å; K27-Y63 HydrophobicContact CB-CE2 4.15Å; K27-Y63 HydrophobicContact CB-CG 3.7Å; K27-Y63 HydrophobicContact CD-CD1 3.76Å; K27-Y63 HydrophobicContact CD-CD2 4.47Å; K27-Y63 HydrophobicContact CD-CE1 4.26Å; K27-Y63 HydrophobicContact CD-CG 3.88Å; K27-Y63 HydrophobicContact CG-CD1 3.91Å; K27-Y63 HydrophobicContact CG-CD2 3.81Å; K27-Y63 HydrophobicContact CG-CE1 4.15Å; K27-Y63 HydrophobicContact CG-CE2 4.03Å; K27-Y63 HydrophobicContact CG-CG 3.73Å; R30-Y63 HydrophobicContact CB-CE2 4.26Å; R30-Y63 HydrophobicContact CG-CE2 4.22Å; E31-Y63 HydrophobicContact CG-CD2 4.48Å; E31-Y63 WeakPolarHBondContact OE1-CD2 3.45Å; F60-Y63 WeakPolarHBondContact CD1-O 3.42Å |
| 64 | N | 94.2 | Very high | 95.3 | Very high | 50 Ų | 50 | 72.8 Ų | 72.8 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | trans | -106.6 | 6 | -170.7 | 68.3 | -29.5 | 0 | 0 | 0 | 114.9 | F60 R62 G66 V67 Q80 | F60-N64 HydrophobicContact CB-CB 4.23Å; F60-N64 WeakPolarHBondContact O-CB 3.37Å; R62-N64 PolarHBondContact O-N 3.22Å; N64-G66 PolarHBondContact O-N 3.39Å; N64-V67 WeakPolarHBondContact O-CB 3.4Å; N64-V67 PolarHBondContact O-N 2.93Å; N64-V67 VanDerWaalsContact O-N 3.11Å; N64-Q80 PolarHBondContact ND2-OE1 3.47Å; N64-Q80 PolarHBondContact O-NE2 3.42Å | ||
| 65 | G | 94.1 | Very high | 95.2 | Very high | 74 Ų | 74 | 72.3 Ų | 72.3 | 76% | 0.763 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 122.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V67 | G65-V67 PolarHBondContact O-N 3.15Š|
| 66 | G | 92.1 | Very high | 95 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 93% | 0.928 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 12.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N64 | N64-G66 PolarHBondContact O-N 3.39Š|
| 67 | V | 94.6 | Very high | 95 | Very high | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 126 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | F60 N64 G65 Q80 R82 | F60-V67 HydrophobicContact CB-CG1 4.27Å; F60-V67 HydrophobicContact CB-CG2 4.32Å; F60-V67 HydrophobicContact CD1-CG2 4.18Å; F60-V67 HydrophobicContact CG-CG1 4.4Å; F60-V67 HydrophobicContact CG-CG2 4.34Å; N64-V67 WeakPolarHBondContact O-CB 3.4Å; N64-V67 PolarHBondContact O-N 2.93Å; N64-V67 VanDerWaalsContact O-N 3.11Å; G65-V67 PolarHBondContact O-N 3.15Å; V67-Q80 HydrophobicContact CB-CB 4.37Å; V67-Q80 HydrophobicContact CG1-CB 4.03Å; V67-Q80 PolarHBondContact O-NE2 3.44Å; V67-R82 HydrophobicContact CG1-CG 3.6Å |
| 68 | G | 94.9 | Very high | 94.9 | Very high | 50 Ų | 50 | 74.1 Ų | 74.1 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 154.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G81 | G68-G81 PolarHBondContact O-N 3.43Š|
| 69 | R | 96.1 | Very high | 94.8 | Very high | 216 Ų | 216 | 78 Ų | 78 | 82% | 0.815 | 43% | 0.434 | S | S | * | . | B | Isolated β-bridge | trans | -77 | 143.6 | 173.1 | -64.7 | -179.4 | -178.3 | 176.1 | 1.4 | 110 | T79 Q80 | R69-T79 CarbonylContact C-O 3.54Å; R69-T79 WeakPolarHBondContact CA-O 3.1Å; R69-Q80 HydrophobicContact CG-CG 4.38Å |
| 70 | C | 94.1 | Very high | 94.8 | Very high | 20 Ų | 20 | 79.3 Ų | 79.3 | 14% | 0.135 | 44% | 0.439 | C | S | . | . | trans | -135.7 | 129.9 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | Q72 A73 T79 W83 | C70-Q72 PolarHBondContact O-N 2.89Å; C70-A73 VanDerWaalsContact O-CB 3.23Å; C70-A73 WeakPolarHBondContact O-CB 3.44Å; C70-A73 PolarHBondContact O-N 3.37Å; C70-T79 PolarHBondContact N-O 3.29Å; C70-W83 VanDerWaalsContact SG-CZ2 3.6Å | ||
| 71 | A | 95.3 | Very high | 94.8 | Very high | 95 Ų | 95 | 79.5 Ų | 79.5 | 79% | 0.785 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -59.3 | -33.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A73 K74 | A71-A73 PolarHBondContact O-N 2.85Å; A71-A73 VanDerWaalsContact O-N 3.16Å; A71-K74 WeakPolarHBondContact O-CB 3.01Å; A71-K74 PolarHBondContact O-N 3.27Å; A71-K74 VanDerWaalsContact O-N 3.12Å |
| 72 | Q | 95.6 | Very high | 94.9 | Very high | 63 Ų | 63 | 78.9 Ų | 78.9 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -64.4 | -18.1 | 177.2 | -60.8 | 177.2 | 0.5 | 0 | 0 | 112.9 | Q54 K55 Q56 C57 C70 K74 Q75 W83 | Q54-Q72 PolarHBondContact O-NE2 3.28Å; K55-Q72 PolarHBondContact O-NE2 3.37Å; K55-Q72 PolarHBondContact O-OE1 2.99Å; Q56-Q72 VanDerWaalsContact C-OE1 3.28Å; C57-Q72 HydrophobicContact CB-CB 4.04Å; C70-Q72 PolarHBondContact O-N 2.89Å; Q72-K74 PolarHBondContact O-N 3.15Å; Q72-Q75 WeakPolarHBondContact O-CG 3.47Å; Q72-Q75 PolarHBondContact O-NE2 2.82Å; Q72-Q75 VanDerWaalsContact O-NE2 3.15Å; Q72-W83 VanDerWaalsContact OE1-CZ2 3.3Å |
| 73 | A | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -71.1 | -19 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C57 C70 A71 Q75 W76 W78 | C57-A73 VanDerWaalsContact SG-CA 3.53Å; C57-A73 PolarHBondContact SG-N 3.17Å; C70-A73 VanDerWaalsContact O-CB 3.23Å; C70-A73 WeakPolarHBondContact O-CB 3.44Å; C70-A73 PolarHBondContact O-N 3.37Å; A71-A73 PolarHBondContact O-N 2.85Å; A71-A73 VanDerWaalsContact O-N 3.16Å; A73-Q75 PolarHBondContact O-N 3.5Å; A73-W76 WeakPolarHBondContact O-CB 3.34Å; A73-W76 PolarHBondContact O-N 3.11Å; A73-W78 CarbonylContact C-O 3.02Å; A73-W78 VanDerWaalsContact CB-O 3.31Å; A73-W78 WeakPolarHBondContact CB-O 3.44Å; A73-W78 PolarHBondContact O-N 3.39Å |
| 74 | K | 95.2 | Very high | 95 | Very high | 177 Ų | 177 | 73 Ų | 73 | 77% | 0.77 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -56.5 | -36.2 | -179.8 | -172.2 | 177.9 | 179.7 | -178.9 | 0 | 112.6 | A71 Q72 W76 G77 W78 | A71-K74 WeakPolarHBondContact O-CB 3.01Å; A71-K74 PolarHBondContact O-N 3.27Å; A71-K74 VanDerWaalsContact O-N 3.12Å; Q72-K74 PolarHBondContact O-N 3.15Å; K74-W76 PolarHBondContact O-N 3.48Å; K74-W76 VanDerWaalsContact O-N 3.14Å; K74-G77 PolarHBondContact O-N 2.87Å; K74-W78 PolarHBondContact N-O 2.85Å |
| 75 | Q | 93.2 | Very high | 95.1 | Very high | 111 Ų | 111 | 76.3 Ų | 76.3 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -60.9 | -23.5 | 177.3 | 77.7 | -173.5 | -47.2 | 0 | 0 | 113 | Q72 A73 | Q72-Q75 WeakPolarHBondContact O-CG 3.47Å; Q72-Q75 PolarHBondContact O-NE2 2.82Å; Q72-Q75 VanDerWaalsContact O-NE2 3.15Å; A73-Q75 PolarHBondContact O-N 3.5Å |
| 76 | W | 92.4 | Very high | 95.2 | Very high | 66 Ų | 66 | 77.7 Ų | 77.7 | 25% | 0.25 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -97.6 | 9.5 | -179.9 | -55.8 | 106.6 | 0 | 0 | 0 | 112.7 | M39 Y47 C57 P59 R61 A73 K74 W78 | M39-W76 HydrophobicContact CE-CH2 3.47Å; M39-W76 VanDerWaalsContact CE-CH2 3.47Å; M39-W76 HydrophobicContact CE-CZ3 3.88Å; Y47-W76 HydrophobicContact CD2-CZ2 4.23Å; Y47-W76 HydrophobicContact CE2-CH2 4.35Å; Y47-W76 AromaticContact CE2-CZ2 3.56Å; Y47-W76 HydrophobicContact CE2-CZ2 3.56Å; Y47-W76 AromaticContact CZ-CZ2 3.99Å; C57-W76 PolarHBondContact O-NE1 3.09Å; P59-W76 HydrophobicContact CB-CB 4.06Å; P59-W76 HydrophobicContact CB-CG 4.18Å; P59-W76 HydrophobicContact CG-CB 4.02Å; P59-W76 HydrophobicContact CG-CD2 4.18Å; P59-W76 HydrophobicContact CG-CG 3.79Å; R61-W76 PolarHBondContact NH2-O 3.18Å; R61-W76 VanDerWaalsContact NH2-O 3.17Å; A73-W76 WeakPolarHBondContact O-CB 3.34Å; A73-W76 PolarHBondContact O-N 3.11Å; K74-W76 PolarHBondContact O-N 3.48Å; K74-W76 VanDerWaalsContact O-N 3.14Å; W76-W78 PolarHBondContact O-N 3.31Å |
| 77 | G | 94.5 | Very high | 95.4 | Very high | 69 Ų | 69 | 73.6 Ų | 73.6 | 71% | 0.711 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 30.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K74 | K74-G77 PolarHBondContact O-N 2.87Š|
| 78 | W | 95.6 | Very high | 95.5 | Very high | 90 Ų | 90 | 73 Ų | 73 | 34% | 0.341 | 37% | 0.369 | S | S | . | . | trans | -135 | 165.9 | -173.8 | -157.3 | -112.6 | 0 | 0 | 0 | 111.7 | P59 F60 R61 A73 K74 W76 | P59-W78 HydrophobicContact CB-CB 4.35Å; F60-W78 PolarHBondContact O-NE1 2.87Å; R61-W78 HydrophobicContact CG-CD2 4.27Å; R61-W78 HydrophobicContact CG-CZ2 4.41Å; A73-W78 CarbonylContact C-O 3.02Å; A73-W78 VanDerWaalsContact CB-O 3.31Å; A73-W78 WeakPolarHBondContact CB-O 3.44Å; A73-W78 PolarHBondContact O-N 3.39Å; K74-W78 PolarHBondContact N-O 2.85Å; W76-W78 PolarHBondContact O-N 3.31Å | ||
| 79 | T | 95.2 | Very high | 95.5 | Very high | 81 Ų | 81 | 74.9 Ų | 74.9 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -109.1 | -30.2 | -175.1 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | R69 C70 | R69-T79 CarbonylContact C-O 3.54Å; R69-T79 WeakPolarHBondContact CA-O 3.1Å; C70-T79 PolarHBondContact N-O 3.29Å |
| 80 | Q | 96.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -105.2 | 132.3 | -173.3 | -68.8 | 175.3 | -49.4 | 0 | 0 | 112.4 | F60 N64 V67 R69 | F60-Q80 PolarHBondContact N-O 2.91Å; F60-Q80 VanDerWaalsContact N-O 3.15Å; N64-Q80 PolarHBondContact ND2-OE1 3.47Å; N64-Q80 PolarHBondContact O-NE2 3.42Å; V67-Q80 HydrophobicContact CB-CB 4.37Å; V67-Q80 HydrophobicContact CG1-CB 4.03Å; V67-Q80 PolarHBondContact O-NE2 3.44Å; R69-Q80 HydrophobicContact CG-CG 4.38Å |
| 81 | G | 96.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 67.3 Ų | 67.3 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 158.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V58 G68 | V58-G81 WeakPolarHBondContact O-CA 3.31Å; G68-G81 PolarHBondContact O-N 3.43Å |
| 82 | R | 96.3 | Very high | 95.4 | Very high | 128 Ų | 128 | 64.3 Ų | 64.3 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 173.1 | 176.4 | -52.6 | -179.6 | 68.5 | 177.2 | 2.6 | 111.1 | V58 F60 V67 P84 | V58-R82 PolarHBondContact N-O 3.24Å; V58-R82 PolarHBondContact O-N 2.86Å; V58-R82 VanDerWaalsContact O-N 3.09Å; F60-R82 HydrophobicContact CD2-CB 4.17Å; F60-R82 HydrophobicContact CD2-CG 4.16Å; F60-R82 HydrophobicContact CE2-CB 3.57Å; F60-R82 HydrophobicContact CE2-CG 3.94Å; F60-R82 HydrophobicContact CZ-CB 4.05Å; F60-R82 HydrophobicContact CZ-CG 4.3Å; V67-R82 HydrophobicContact CG1-CG 3.6Å; R82-P84 VanDerWaalsContact C-CD 3.44Å; R82-P84 VanDerWaalsContact O-CD 3.23Å; R82-P84 WeakPolarHBondContact O-CD 3.36Å |
| 83 | W | 97.3 | Very high | 95.3 | Very high | 84 Ų | 84 | 67.3 Ų | 67.3 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | trans | -115.5 | 77.6 | 175 | -55.6 | -85.4 | 0 | 0 | 0 | 111.4 | Q54 Q56 C57 C70 Q72 K85 | Q54-W83 VanDerWaalsContact CA-CD1 3.41Å; Q54-W83 HydrophobicContact CB-CD2 4.17Å; Q54-W83 HydrophobicContact CB-CG 3.99Å; Q54-W83 HydrophobicContact CG-CB 3.97Å; Q54-W83 HydrophobicContact CG-CD2 4.28Å; Q54-W83 HydrophobicContact CG-CG 3.9Å; Q54-W83 PolarHBondContact O-NE1 3.4Å; Q56-W83 PolarHBondContact O-NE1 3.15Å; C57-W83 HydrophobicContact CB-CZ2 4.2Å; C70-W83 VanDerWaalsContact SG-CZ2 3.6Å; Q72-W83 VanDerWaalsContact OE1-CZ2 3.3Å; W83-K85 VanDerWaalsContact C-N 3.31Å; W83-K85 PolarHBondContact O-N 3.1Å | ||
| 84 | P | 96.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 69.7 Ų | 69.7 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | trans | -74 | 82 | -179.3 | 32.3 | -37.8 | 0 | 0 | 0 | 111.6 | N28 T32 V58 F60 R82 K86 S87 A88 | N28-P84 HydrophobicContact CB-CB 3.92Å; T32-P84 HydrophobicContact CG2-CB 4.21Å; T32-P84 HydrophobicContact CG2-CG 3.15Å; V58-P84 HydrophobicContact CB-CG 4.44Å; V58-P84 HydrophobicContact CG2-CG 4.12Å; F60-P84 HydrophobicContact CE2-CG 4.5Å; F60-P84 HydrophobicContact CZ-CG 4.34Å; R82-P84 VanDerWaalsContact C-CD 3.44Å; R82-P84 VanDerWaalsContact O-CD 3.23Å; R82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-K86 PolarHBondContact O-N 3.09Å; P84-S87 PolarHBondContact O-N 2.91Å; P84-A88 PolarHBondContact O-N 2.86Å | ||
| 85 | K | 96.6 | Very high | 94.9 | Very high | 121 Ų | 121 | 64.2 Ų | 64.2 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -50.6 | -52.7 | -176.3 | -174.9 | 176.3 | 177.2 | -179.8 | 0 | 113.3 | T52 W83 S87 A88 E89 | T52-K85 HydrophobicContact CG2-CG 4.22Å; W83-K85 VanDerWaalsContact C-N 3.31Å; W83-K85 PolarHBondContact O-N 3.1Å; K85-S87 PolarHBondContact O-N 2.82Å; K85-A88 PolarHBondContact O-N 2.92Å; K85-A88 VanDerWaalsContact O-N 3.15Å; K85-E89 WeakPolarHBondContact CE-OE1 3.2Å; K85-E89 WeakPolarHBondContact CG-OE1 3.32Å; K85-E89 WeakPolarHBondContact O-CG 3.23Å; K85-E89 PolarHBondContact O-N 2.92Å |
| 86 | K | 96.3 | Very high | 94.8 | Very high | 103 Ų | 103 | 68 Ų | 68 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | -178.6 | -163.2 | 179.7 | -166.4 | -177.5 | 0 | 112 | R23 V24 P84 A88 E89 F90 | R23-K86 WeakPolarHBondContact O-CE 3.41Å; R23-K86 PolarHBondContact O-NZ 3.19Å; V24-K86 HydrophobicContact CG1-CD 4.49Å; V24-K86 HydrophobicContact CG1-CG 4.3Å; P84-K86 PolarHBondContact O-N 3.09Å; K86-A88 VanDerWaalsContact C-N 3.34Å; K86-A88 PolarHBondContact O-N 3.34Å; K86-E89 PolarHBondContact O-N 3.14Å; K86-F90 HydrophobicContact CG-CD2 4.11Å; K86-F90 HydrophobicContact CG-CE2 3.97Å; K86-F90 VanDerWaalsContact O-CD2 3.29Å; K86-F90 WeakPolarHBondContact O-CD2 3.31Å; K86-F90 PolarHBondContact O-N 3.43Å |
| 87 | S | 96.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -40.2 | 178.2 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | T29 P84 K85 L91 | T29-S87 PolarHBondContact N-OG 3.32Å; T29-S87 PolarHBondContact OG1-OG 3.01Å; P84-S87 PolarHBondContact O-N 2.91Å; K85-S87 PolarHBondContact O-N 2.82Å; S87-L91 WeakPolarHBondContact O-CG 3.34Å; S87-L91 PolarHBondContact O-N 3.32Å; S87-L91 VanDerWaalsContact O-N 3.08Å |
| 88 | A | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L48 V51 T52 P84 K85 K86 L91 L92 | L48-A88 HydrophobicContact CD2-CB 4.12Å; V51-A88 HydrophobicContact CB-CB 4.39Å; V51-A88 HydrophobicContact CG1-CB 4.06Å; T52-A88 HydrophobicContact CG2-CB 3.9Å; P84-A88 PolarHBondContact O-N 2.86Å; K85-A88 PolarHBondContact O-N 2.92Å; K85-A88 VanDerWaalsContact O-N 3.15Å; K86-A88 VanDerWaalsContact C-N 3.34Å; K86-A88 PolarHBondContact O-N 3.34Å; A88-L91 PolarHBondContact O-N 3.26Å; A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 WeakPolarHBondContact O-CG 3.41Å; A88-L92 PolarHBondContact O-N 3.22Å |
| 89 | E | 95.5 | Very high | 93.7 | Very high | 89 Ų | 89 | 72.1 Ų | 72.1 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.3 | -72.2 | 168.2 | 174.7 | 0 | 0 | 112.3 | T52 K85 K86 L91 L92 H93 | T52-E89 HydrophobicContact CG2-CG 4Å; K85-E89 WeakPolarHBondContact CE-OE1 3.2Å; K85-E89 WeakPolarHBondContact CG-OE1 3.32Å; K85-E89 WeakPolarHBondContact O-CG 3.23Å; K85-E89 PolarHBondContact O-N 2.92Å; K86-E89 PolarHBondContact O-N 3.14Å; E89-L91 PolarHBondContact O-N 3.12Å; E89-L92 WeakPolarHBondContact O-CB 3.36Å; E89-L92 PolarHBondContact O-N 3.14Å; E89-H93 PolarHBondContact O-N 3.38Å |
| 90 | F | 94.7 | Very high | 93.7 | Very high | 65 Ų | 65 | 71.6 Ų | 71.6 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.4 | -85.8 | -80.6 | 0 | 0 | 0 | 112.4 | L22 V24 K86 H93 M94 | L22-F90 HydrophobicContact CD1-CD1 4.18Å; L22-F90 HydrophobicContact CD2-CD1 4.02Å; L22-F90 HydrophobicContact CD2-CE1 3.98Å; L22-F90 HydrophobicContact CG-CD1 4.48Å; V24-F90 HydrophobicContact CG1-CB 4.26Å; V24-F90 HydrophobicContact CG1-CD1 4.44Å; V24-F90 HydrophobicContact CG1-CD2 3.11Å; V24-F90 HydrophobicContact CG1-CE2 3.42Å; V24-F90 VanDerWaalsContact CG1-CE2 3.42Å; V24-F90 HydrophobicContact CG1-CG 3.69Å; V24-F90 HydrophobicContact CG1-CZ 4.21Å; K86-F90 HydrophobicContact CG-CD2 4.11Å; K86-F90 HydrophobicContact CG-CE2 3.97Å; K86-F90 VanDerWaalsContact O-CD2 3.29Å; K86-F90 WeakPolarHBondContact O-CD2 3.31Å; K86-F90 PolarHBondContact O-N 3.43Å; F90-H93 PolarHBondContact O-N 3Å; F90-M94 WeakPolarHBondContact O-CG 3.22Å; F90-M94 PolarHBondContact O-N 3.3Å; F90-M94 VanDerWaalsContact O-N 3.09Å |
| 91 | L | 94.2 | Very high | 93.5 | Very high | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | 175.2 | -73.5 | 177.5 | 0 | 0 | 0 | 111.8 | T32 A33 I36 L48 S87 A88 E89 H93 M94 L95 | T32-L91 VanDerWaalsContact OG1-CD1 3.23Å; T32-L91 WeakPolarHBondContact OG1-CD1 3.41Å; A33-L91 HydrophobicContact CB-CD1 4.36Å; A33-L91 HydrophobicContact CB-CD2 4.44Å; I36-L91 HydrophobicContact CD1-CD1 4.17Å; L48-L91 HydrophobicContact CD1-CB 3.84Å; L48-L91 HydrophobicContact CD2-CB 4.32Å; L48-L91 HydrophobicContact CD2-CD1 4.14Å; S87-L91 WeakPolarHBondContact O-CG 3.34Å; S87-L91 PolarHBondContact O-N 3.32Å; S87-L91 VanDerWaalsContact O-N 3.08Å; A88-L91 PolarHBondContact O-N 3.26Å; E89-L91 PolarHBondContact O-N 3.12Å; L91-H93 VanDerWaalsContact C-N 3.34Å; L91-H93 PolarHBondContact O-N 3.38Å; L91-M94 HydrophobicContact CD2-CE 3.34Å; L91-M94 HydrophobicContact CG-CE 4.46Å; L91-M94 PolarHBondContact O-N 2.93Å; L91-L95 WeakPolarHBondContact O-CG 3.23Å; L91-L95 PolarHBondContact O-N 3.15Å |
| 92 | L | 94.8 | Very high | 93.4 | Very high | 31 Ų | 31 | 77.8 Ų | 77.8 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.6 | -82 | 168.8 | 0 | 0 | 0 | 111.9 | T45 L48 K49 A88 E89 M94 L95 K96 | T45-L92 HydrophobicContact CG2-CD2 3.76Å; L48-L92 HydrophobicContact CB-CD1 3.97Å; L48-L92 HydrophobicContact CB-CD2 3.7Å; L48-L92 HydrophobicContact CB-CG 3.57Å; L48-L92 HydrophobicContact CD1-CD2 4.09Å; L48-L92 HydrophobicContact CD1-CG 4.03Å; L48-L92 HydrophobicContact CG-CG 4.46Å; K49-L92 HydrophobicContact CG-CD1 3.99Å; K49-L92 HydrophobicContact CG-CD2 4.23Å; A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 WeakPolarHBondContact O-CG 3.41Å; A88-L92 PolarHBondContact O-N 3.22Å; E89-L92 WeakPolarHBondContact O-CB 3.36Å; E89-L92 PolarHBondContact O-N 3.14Å; L92-M94 VanDerWaalsContact C-N 3.33Å; L92-M94 PolarHBondContact O-N 3.16Å; L92-L95 PolarHBondContact O-N 3.3Å; L92-K96 PolarHBondContact O-N 3.36Å; L92-K96 VanDerWaalsContact O-N 3.09Å |
| 93 | H | 92.9 | Very high | 93.2 | Very high | 126 Ų | 126 | 74.5 Ų | 74.5 | 58% | 0.583 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.8 | -43.2 | 176.6 | -169.8 | -79.9 | 0 | 0 | 0 | 111.4 | E89 F90 L91 L95 K96 N97 | E89-H93 PolarHBondContact O-N 3.38Å; F90-H93 PolarHBondContact O-N 3Å; L91-H93 VanDerWaalsContact C-N 3.34Å; L91-H93 PolarHBondContact O-N 3.38Å; H93-L95 VanDerWaalsContact C-N 3.3Å; H93-L95 PolarHBondContact O-N 3.48Å; H93-K96 PolarHBondContact O-N 3.18Å; H93-N97 PolarHBondContact O-N 3.13Å |
| 94 | M | 91.6 | Very high | 92.9 | Very high | 50 Ų | 50 | 73.8 Ų | 73.8 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67 | -27.1 | 177.5 | -69.7 | -166.7 | -52.1 | 0 | 0 | 114.3 | S17 L22 F90 L91 L92 | S17-M94 PolarHBondContact OG-O 3.25Å; L22-M94 HydrophobicContact CD1-SD 4.46Å; F90-M94 WeakPolarHBondContact O-CG 3.22Å; F90-M94 PolarHBondContact O-N 3.3Å; F90-M94 VanDerWaalsContact O-N 3.09Å; L91-M94 HydrophobicContact CD2-CE 3.34Å; L91-M94 HydrophobicContact CG-CE 4.46Å; L91-M94 PolarHBondContact O-N 2.93Å; L92-M94 VanDerWaalsContact C-N 3.33Å; L92-M94 PolarHBondContact O-N 3.16Å |
| 95 | L | 91.1 | Very high | 92.6 | Very high | 62 Ų | 62 | 78.5 Ų | 78.5 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -83.2 | -21.5 | 177.4 | -72 | 175.7 | 0 | 0 | 0 | 113.5 | I36 A44 L48 L91 L92 H93 | I36-L95 HydrophobicContact CD1-CD1 4.46Å; A44-L95 HydrophobicContact CB-CD1 4.21Å; L48-L95 HydrophobicContact CD1-CD1 3.65Å; L91-L95 WeakPolarHBondContact O-CG 3.23Å; L91-L95 PolarHBondContact O-N 3.15Å; L92-L95 PolarHBondContact O-N 3.3Å; H93-L95 VanDerWaalsContact C-N 3.3Å; H93-L95 PolarHBondContact O-N 3.48Å |
| 96 | K | 89.7 | Confident | 92.3 | Very high | 191 Ų | 191 | 74.9 Ų | 74.9 | 83% | 0.83 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -83.3 | -26 | 177.4 | -176.1 | 179 | 174.9 | -170.3 | 0 | 112.7 | L92 H93 | L92-K96 PolarHBondContact O-N 3.36Å; L92-K96 VanDerWaalsContact O-N 3.09Å; H93-K96 PolarHBondContact O-N 3.18Å |
| 97 | N | 73.8 | Confident | 91.9 | Very high | 167 Ų | 167 | 72.4 Ų | 72.4 | 89% | 0.893 | 35% | 0.348 | S | S | * | . | trans | -47.7 | 0 | -176.9 | -118.7 | 19.4 | 0 | 0 | 0 | 113.7 | H93 | H93-N97 PolarHBondContact O-N 3.13Š|
Retrieved 97 of 97 residues in 57.5 ms
(Link to these results)