| 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 | 63.5 | Low | 74.8 | Confident | 226 Ų | 226 | 153.6 Ų | 153.6 | 100% | 1.113 | 77% | 0.765 | S | S | * | * | 0 | 130.2 | 0 | -58.5 | -154.3 | -75.8 | 0 | 0 | 106.5 | E3 | M1-E3 PolarHBondContact O-N 3.23Š| |||
| 2 | P | 71.1 | Confident | 75.4 | Confident | 131 Ų | 131 | 146.8 Ų | 146.8 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 122.4 | 175.4 | 28.2 | -29.5 | 0 | 0 | 0 | 108 | E4 | P2-E4 PolarHBondContact O-N 3.11Š|
| 3 | E | 74.3 | Confident | 76 | Confident | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 120.1 | 177.2 | -70.6 | 177.4 | 169.6 | 0 | 0 | 109.5 | M1 K5 | M1-E3 PolarHBondContact O-N 3.23Å; E3-K5 PolarHBondContact O-N 2.67Å |
| 4 | E | 75.6 | Confident | 76.8 | Confident | 188 Ų | 188 | 148.3 Ų | 148.3 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 117.9 | 170.1 | -73.9 | -174.8 | 160 | 0 | 0 | 109.2 | P2 | P2-E4 PolarHBondContact O-N 3.11Š|
| 5 | K | 78.7 | Confident | 77.6 | Confident | 158 Ų | 158 | 144.9 Ų | 144.9 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 130.2 | 178.6 | -168.4 | 176.4 | 175.6 | -173.3 | 0 | 109.3 | E3 E8 | E3-K5 PolarHBondContact O-N 2.67Å; K5-E8 WeakPolarHBondContact CE-OE1 3.21Å; K5-E8 IonicContact NZ-OE1 2.67Å; K5-E8 PolarHBondContact NZ-OE1 3.43Å |
| 6 | P | 75.9 | Confident | 78.4 | Confident | 98 Ų | 98 | 141.5 Ų | 141.5 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 149.1 | 179.6 | 25 | -33.5 | 0 | 0 | 0 | 110.9 | E8 | P6-E8 PolarHBondContact O-N 2.96Š|
| 7 | P | 77.1 | Confident | 79.2 | Confident | 125 Ų | 125 | 141.8 Ų | 141.8 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 123.6 | -178.5 | 24 | -32.8 | 0 | 0 | 0 | 110.2 | F9 | P7-F9 PolarHBondContact O-N 2.75Š|
| 8 | E | 73.6 | Confident | 80 | Confident | 122 Ų | 122 | 138.9 Ų | 138.9 | 57% | 0.57 | 70% | 0.696 | S | S | * | * | trans | -72.7 | 76.2 | 177.5 | -70 | -169.3 | -171.8 | 0 | 0 | 110.6 | K5 P6 K10 | K5-E8 WeakPolarHBondContact CE-OE1 3.21Å; K5-E8 IonicContact NZ-OE1 2.67Å; K5-E8 PolarHBondContact NZ-OE1 3.43Å; P6-E8 PolarHBondContact O-N 2.96Å; E8-K10 PolarHBondContact O-N 3.41Å | ||
| 9 | F | 75.5 | Confident | 80.8 | Confident | 141 Ų | 141 | 138.4 Ų | 138.4 | 62% | 0.618 | 69% | 0.689 | S | S | * | * | trans | -79 | 113.1 | 167.5 | -162.5 | -70.4 | 0 | 0 | 0 | 109.2 | P7 F11 | P7-F9 PolarHBondContact O-N 2.75Å; F9-F11 HydrophobicContact CB-CE2 4.29Å; F9-F11 HydrophobicContact CD1-CB 4.41Å; F9-F11 AromaticContact CD1-CD1 3.65Å; F9-F11 HydrophobicContact CD1-CD1 3.65Å; F9-F11 AromaticContact CD1-CD2 3.28Å; F9-F11 HydrophobicContact CD1-CD2 3.28Å; F9-F11 AromaticContact CD1-CE1 3.5Å; F9-F11 HydrophobicContact CD1-CE1 3.5Å; F9-F11 VanDerWaalsContact CD1-CE1 3.5Å; F9-F11 AromaticContact CD1-CE2 3.13Å; F9-F11 HydrophobicContact CD1-CE2 3.13Å; F9-F11 AromaticContact CD1-CG 3.52Å; F9-F11 HydrophobicContact CD1-CG 3.52Å; F9-F11 AromaticContact CD1-CZ 3.22Å; F9-F11 HydrophobicContact CD1-CZ 3.22Å; F9-F11 HydrophobicContact CD2-CZ 4.41Å; F9-F11 HydrophobicContact CE1-CB 4.22Å; F9-F11 AromaticContact CE1-CD1 3.06Å; F9-F11 HydrophobicContact CE1-CD1 3.06Å; F9-F11 AromaticContact CE1-CD2 3.67Å; F9-F11 HydrophobicContact CE1-CD2 3.67Å; F9-F11 AromaticContact CE1-CE1 3Å; F9-F11 HydrophobicContact CE1-CE1 3Å; F9-F11 AromaticContact CE1-CE2 3.64Å; F9-F11 HydrophobicContact CE1-CE2 3.64Å; F9-F11 AromaticContact CE1-CG 3.37Å; F9-F11 HydrophobicContact CE1-CG 3.37Å; F9-F11 AromaticContact CE1-CZ 3.29Å; F9-F11 HydrophobicContact CE1-CZ 3.29Å; F9-F11 HydrophobicContact CE2-CE1 4.39Å; F9-F11 HydrophobicContact CE2-CZ 4.41Å; F9-F11 HydrophobicContact CG-CD2 4.33Å; F9-F11 HydrophobicContact CG-CE1 4.4Å; F9-F11 AromaticContact CG-CE2 3.83Å; F9-F11 HydrophobicContact CG-CE2 3.83Å; F9-F11 AromaticContact CG-CZ 3.85Å; F9-F11 HydrophobicContact CG-CZ 3.85Å; F9-F11 AromaticContact CZ-CD1 3.89Å; F9-F11 HydrophobicContact CZ-CD1 3.89Å; F9-F11 AromaticContact CZ-CE1 3.5Å; F9-F11 HydrophobicContact CZ-CE1 3.5Å; F9-F11 VanDerWaalsContact CZ-CE1 3.5Å; F9-F11 AromaticContact CZ-CZ 3.88Å; F9-F11 HydrophobicContact CZ-CZ 3.88Å | ||
| 10 | K | 76 | Confident | 81.4 | Confident | 171 Ų | 171 | 136.2 Ų | 136.2 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | trans | -98.5 | 97.7 | 172 | -68.1 | -179.5 | -174.8 | 171.4 | 0 | 109.6 | E8 | E8-K10 PolarHBondContact O-N 3.41Š| ||
| 11 | F | 81.9 | Confident | 82.2 | Confident | 141 Ų | 141 | 133.6 Ų | 133.6 | 62% | 0.618 | 67% | 0.668 | S | S | * | * | trans | -69.2 | 140.5 | 167.7 | -64.4 | -83.5 | 0 | 0 | 0 | 109.3 | F9 M13 | F9-F11 HydrophobicContact CB-CE2 4.29Å; F9-F11 HydrophobicContact CD1-CB 4.41Å; F9-F11 AromaticContact CD1-CD1 3.65Å; F9-F11 HydrophobicContact CD1-CD1 3.65Å; F9-F11 AromaticContact CD1-CD2 3.28Å; F9-F11 HydrophobicContact CD1-CD2 3.28Å; F9-F11 AromaticContact CD1-CE1 3.5Å; F9-F11 HydrophobicContact CD1-CE1 3.5Å; F9-F11 VanDerWaalsContact CD1-CE1 3.5Å; F9-F11 AromaticContact CD1-CE2 3.13Å; F9-F11 HydrophobicContact CD1-CE2 3.13Å; F9-F11 AromaticContact CD1-CG 3.52Å; F9-F11 HydrophobicContact CD1-CG 3.52Å; F9-F11 AromaticContact CD1-CZ 3.22Å; F9-F11 HydrophobicContact CD1-CZ 3.22Å; F9-F11 HydrophobicContact CD2-CZ 4.41Å; F9-F11 HydrophobicContact CE1-CB 4.22Å; F9-F11 AromaticContact CE1-CD1 3.06Å; F9-F11 HydrophobicContact CE1-CD1 3.06Å; F9-F11 AromaticContact CE1-CD2 3.67Å; F9-F11 HydrophobicContact CE1-CD2 3.67Å; F9-F11 AromaticContact CE1-CE1 3Å; F9-F11 HydrophobicContact CE1-CE1 3Å; F9-F11 AromaticContact CE1-CE2 3.64Å; F9-F11 HydrophobicContact CE1-CE2 3.64Å; F9-F11 AromaticContact CE1-CG 3.37Å; F9-F11 HydrophobicContact CE1-CG 3.37Å; F9-F11 AromaticContact CE1-CZ 3.29Å; F9-F11 HydrophobicContact CE1-CZ 3.29Å; F9-F11 HydrophobicContact CE2-CE1 4.39Å; F9-F11 HydrophobicContact CE2-CZ 4.41Å; F9-F11 HydrophobicContact CG-CD2 4.33Å; F9-F11 HydrophobicContact CG-CE1 4.4Å; F9-F11 AromaticContact CG-CE2 3.83Å; F9-F11 HydrophobicContact CG-CE2 3.83Å; F9-F11 AromaticContact CG-CZ 3.85Å; F9-F11 HydrophobicContact CG-CZ 3.85Å; F9-F11 AromaticContact CZ-CD1 3.89Å; F9-F11 HydrophobicContact CZ-CD1 3.89Å; F9-F11 AromaticContact CZ-CE1 3.5Å; F9-F11 HydrophobicContact CZ-CE1 3.5Å; F9-F11 VanDerWaalsContact CZ-CE1 3.5Å; F9-F11 AromaticContact CZ-CZ 3.88Å; F9-F11 HydrophobicContact CZ-CZ 3.88Å; F11-M13 PolarHBondContact O-N 2.85Å; F11-M13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | P | 82.1 | Confident | 83.7 | Confident | 71 Ų | 71 | 129.5 Ų | 129.5 | 46% | 0.461 | 64% | 0.644 | S | S | . | * | trans | -64.4 | 114.6 | 169.1 | 1.2 | 9.4 | 0 | 0 | 0 | 108.4 | L16 | P12-L16 HydrophobicContact CB-CD2 3.87Å; P12-L16 HydrophobicContact CG-CD2 3.88Å; P12-L16 WeakPolarHBondContact O-CD1 3.33Å; P12-L16 WeakPolarHBondContact O-CD2 3.35Å; P12-L16 VanDerWaalsContact O-CG 3.24Å; P12-L16 WeakPolarHBondContact O-CG 3.24Å | ||
| 13 | M | 82.3 | Confident | 85 | Confident | 165 Ų | 165 | 131.1 Ų | 131.1 | 81% | 0.813 | 63% | 0.633 | S | S | * | * | trans | -86.8 | -17.3 | 179.4 | -67.8 | -76.7 | -88.9 | 0 | 0 | 112.7 | F11 | F11-M13 PolarHBondContact O-N 2.85Å; F11-M13 VanDerWaalsContact O-N 3.11Å | ||
| 14 | H | 87.1 | Confident | 86.1 | Confident | 150 Ų | 150 | 126.2 Ų | 126.2 | 69% | 0.694 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -116 | 150.3 | -176.6 | -59.3 | -56.8 | 0 | 0 | 0 | 112.2 | L16 | H14-L16 PolarHBondContact O-N 3.05Š|
| 15 | D | 88.9 | Confident | 87.1 | Confident | 97 Ų | 97 | 121 Ų | 121 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | S | Bend | trans | 58.6 | 16.6 | 174.1 | -57 | -39.7 | 0 | 0 | 0 | 116.2 | H17 L18 K19 | D15-H17 VanDerWaalsContact C-N 3.34Å; D15-H17 PolarHBondContact O-N 2.84Å; D15-L18 HydrophobicContact CB-CB 4.04Å; D15-L18 HydrophobicContact CB-CD2 4.2Å; D15-L18 PolarHBondContact O-N 3.36Å; D15-K19 WeakPolarHBondContact O-CB 3.43Å; D15-K19 WeakPolarHBondContact O-CG 3.16Å; D15-K19 PolarHBondContact O-N 3.41Å |
| 16 | L | 91.4 | Very high | 88 | Confident | 91 Ų | 91 | 120.6 Ų | 120.6 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -55.3 | -50.8 | 176.4 | -72.2 | 176.2 | 0 | 0 | 0 | 111 | P12 H14 Q20 | P12-L16 HydrophobicContact CB-CD2 3.87Å; P12-L16 HydrophobicContact CG-CD2 3.88Å; P12-L16 WeakPolarHBondContact O-CD1 3.33Å; P12-L16 WeakPolarHBondContact O-CD2 3.35Å; P12-L16 VanDerWaalsContact O-CG 3.24Å; P12-L16 WeakPolarHBondContact O-CG 3.24Å; H14-L16 PolarHBondContact O-N 3.05Å; L16-Q20 WeakPolarHBondContact O-CB 3.37Å; L16-Q20 PolarHBondContact O-N 2.86Å |
| 17 | H | 91.7 | Very high | 89.1 | Confident | 146 Ų | 146 | 120.9 Ų | 120.9 | 68% | 0.676 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.4 | -36.6 | 178 | -69.9 | -67.9 | 0 | 0 | 0 | 112.9 | D15 Q20 T21 | D15-H17 VanDerWaalsContact C-N 3.34Å; D15-H17 PolarHBondContact O-N 2.84Å; H17-Q20 PolarHBondContact O-N 3.18Å; H17-T21 WeakPolarHBondContact O-CB 3.32Å; H17-T21 PolarHBondContact O-N 2.92Å; H17-T21 PolarHBondContact O-OG1 3.13Å |
| 18 | L | 94.1 | Very high | 90.1 | Very high | 90 Ų | 90 | 117.6 Ų | 117.6 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.3 | -50.8 | 176.9 | -172 | 89.5 | 0 | 0 | 0 | 110.5 | D15 Q20 T21 F22 | D15-L18 HydrophobicContact CB-CB 4.04Å; D15-L18 HydrophobicContact CB-CD2 4.2Å; D15-L18 PolarHBondContact O-N 3.36Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.4Å; L18-T21 PolarHBondContact O-N 3.2Å; L18-F22 HydrophobicContact CD1-CD2 4.47Å; L18-F22 HydrophobicContact CD1-CE2 3.9Å; L18-F22 HydrophobicContact CD2-CD2 4.35Å; L18-F22 HydrophobicContact CD2-CE2 3.99Å; L18-F22 HydrophobicContact CG-CD2 3.87Å; L18-F22 HydrophobicContact CG-CE2 3.67Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.37Å; L18-F22 PolarHBondContact O-N 2.96Å |
| 19 | K | 93.5 | Very high | 91.2 | Very high | 130 Ų | 130 | 115.2 Ų | 115.2 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60 | -41.4 | 176.6 | -71.9 | 174.2 | -178.3 | 172.6 | 0 | 111.6 | D15 R23 | D15-K19 WeakPolarHBondContact O-CB 3.43Å; D15-K19 WeakPolarHBondContact O-CG 3.16Å; D15-K19 PolarHBondContact O-N 3.41Å; K19-R23 WeakPolarHBondContact O-CB 3.41Å; K19-R23 PolarHBondContact O-N 2.81Å |
| 20 | Q | 94.4 | Very high | 92.3 | Very high | 94 Ų | 94 | 111.2 Ų | 111.2 | 44% | 0.439 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -43.9 | 175.6 | -174.3 | 176 | 4.1 | 0 | 0 | 111.6 | L16 H17 L18 R23 N24 | L16-Q20 WeakPolarHBondContact O-CB 3.37Å; L16-Q20 PolarHBondContact O-N 2.86Å; H17-Q20 PolarHBondContact O-N 3.18Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.4Å; Q20-R23 PolarHBondContact O-N 3.28Å; Q20-N24 VanDerWaalsContact O-CG 3.28Å; Q20-N24 PolarHBondContact O-N 3.26Å; Q20-N24 PolarHBondContact O-OD1 3.4Å |
| 21 | T | 96.6 | Very high | 93.3 | Very high | 82 Ų | 82 | 108.1 Ų | 108.1 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 178.5 | -58 | 0 | 0 | 0 | 0 | 111 | H17 L18 R23 N24 V25 | H17-T21 WeakPolarHBondContact O-CB 3.32Å; H17-T21 PolarHBondContact O-N 2.92Å; H17-T21 PolarHBondContact O-OG1 3.13Å; L18-T21 PolarHBondContact O-N 3.2Å; T21-R23 VanDerWaalsContact C-N 3.3Å; T21-R23 PolarHBondContact O-N 2.83Å; T21-N24 PolarHBondContact O-N 3.4Å; T21-N24 VanDerWaalsContact O-N 3.13Å; T21-V25 HydrophobicContact CG2-CG2 4.38Å; T21-V25 WeakPolarHBondContact O-CG2 3.46Å; T21-V25 PolarHBondContact O-N 3.4Å |
| 22 | F | 96.8 | Very high | 94.1 | Very high | 140 Ų | 140 | 104.5 Ų | 104.5 | 61% | 0.614 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.4 | -39.1 | 175.8 | -83.1 | -65 | 0 | 0 | 0 | 112.7 | L18 V25 K26 | L18-F22 HydrophobicContact CD1-CD2 4.47Å; L18-F22 HydrophobicContact CD1-CE2 3.9Å; L18-F22 HydrophobicContact CD2-CD2 4.35Å; L18-F22 HydrophobicContact CD2-CE2 3.99Å; L18-F22 HydrophobicContact CG-CD2 3.87Å; L18-F22 HydrophobicContact CG-CE2 3.67Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.37Å; L18-F22 PolarHBondContact O-N 2.96Å; F22-V25 PolarHBondContact O-N 2.99Å; F22-K26 WeakPolarHBondContact O-CB 3.27Å; F22-K26 PolarHBondContact O-N 3.29Å |
| 23 | R | 96.7 | Very high | 94.8 | Very high | 164 Ų | 164 | 107.4 Ų | 107.4 | 62% | 0.619 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.6 | -45.1 | 174.1 | -171 | 178.3 | 72.6 | -176.5 | 3.5 | 111.2 | K19 Q20 T21 K26 M27 | K19-R23 WeakPolarHBondContact O-CB 3.41Å; K19-R23 PolarHBondContact O-N 2.81Å; Q20-R23 PolarHBondContact O-N 3.28Å; T21-R23 VanDerWaalsContact C-N 3.3Å; T21-R23 PolarHBondContact O-N 2.83Å; R23-K26 PolarHBondContact O-N 3.2Å; R23-M27 VanDerWaalsContact O-CG 3.31Å; R23-M27 WeakPolarHBondContact O-CG 3.31Å; R23-M27 PolarHBondContact O-N 3.49Å |
| 24 | N | 97.6 | Very high | 95.5 | Very high | 87 Ų | 87 | 103.7 Ų | 103.7 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 179.3 | -69.4 | -5.1 | 0 | 0 | 0 | 111.8 | Q20 T21 K26 M27 A28 | Q20-N24 VanDerWaalsContact O-CG 3.28Å; Q20-N24 PolarHBondContact O-N 3.26Å; Q20-N24 PolarHBondContact O-OD1 3.4Å; T21-N24 PolarHBondContact O-N 3.4Å; T21-N24 VanDerWaalsContact O-N 3.13Å; N24-K26 VanDerWaalsContact C-N 3.35Å; N24-K26 PolarHBondContact O-N 3.24Å; N24-M27 PolarHBondContact O-N 3.48Å; N24-A28 WeakPolarHBondContact O-CB 3.27Å; N24-A28 PolarHBondContact O-N 3.46Å |
| 25 | V | 97.8 | Very high | 96 | Very high | 77 Ų | 77 | 99.4 Ų | 99.4 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 176 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | T21 F22 M27 A28 C29 | T21-V25 HydrophobicContact CG2-CG2 4.38Å; T21-V25 WeakPolarHBondContact O-CG2 3.46Å; T21-V25 PolarHBondContact O-N 3.4Å; F22-V25 PolarHBondContact O-N 2.99Å; V25-M27 VanDerWaalsContact C-N 3.33Å; V25-M27 PolarHBondContact O-N 3.01Å; V25-A28 PolarHBondContact O-N 2.9Å; V25-C29 PolarHBondContact O-N 3Å; V25-C29 PolarHBondContact O-SG 3.38Å; V25-C29 VanDerWaalsContact O-SG 3.35Å |
| 26 | K | 97.7 | Very high | 96.4 | Very high | 151 Ų | 151 | 98.4 Ų | 98.4 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.4 | -46.8 | 175.5 | -177 | 178 | 178.6 | 178.3 | 0 | 111.3 | F22 R23 N24 C29 T30 | F22-K26 WeakPolarHBondContact O-CB 3.27Å; F22-K26 PolarHBondContact O-N 3.29Å; R23-K26 PolarHBondContact O-N 3.2Å; N24-K26 VanDerWaalsContact C-N 3.35Å; N24-K26 PolarHBondContact O-N 3.24Å; K26-C29 PolarHBondContact O-N 3.41Å; K26-T30 WeakPolarHBondContact O-CG2 3.37Å; K26-T30 PolarHBondContact O-N 3.33Å; K26-T30 PolarHBondContact O-OG1 3.43Å |
| 27 | M | 97.7 | Very high | 96.7 | Very high | 103 Ų | 103 | 98.9 Ų | 98.9 | 51% | 0.507 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 177.3 | -69.4 | -58.1 | -61.9 | 0 | 0 | 112.7 | R23 N24 V25 T30 L31 | R23-M27 VanDerWaalsContact O-CG 3.31Å; R23-M27 WeakPolarHBondContact O-CG 3.31Å; R23-M27 PolarHBondContact O-N 3.49Å; N24-M27 PolarHBondContact O-N 3.48Å; V25-M27 VanDerWaalsContact C-N 3.33Å; V25-M27 PolarHBondContact O-N 3.01Å; M27-T30 WeakPolarHBondContact CA-OG1 3.32Å; M27-T30 PolarHBondContact O-N 2.91Å; M27-T30 PolarHBondContact O-OG1 3.35Å; M27-L31 WeakPolarHBondContact O-CB 3.46Å; M27-L31 VanDerWaalsContact O-CG 3.27Å; M27-L31 WeakPolarHBondContact O-CG 3.33Å; M27-L31 PolarHBondContact O-N 2.92Å |
| 28 | A | 97.9 | Very high | 97 | Very high | 57 Ų | 57 | 96.1 Ų | 96.1 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N24 V25 T30 L31 A32 | N24-A28 WeakPolarHBondContact O-CB 3.27Å; N24-A28 PolarHBondContact O-N 3.46Å; V25-A28 PolarHBondContact O-N 2.9Å; A28-T30 PolarHBondContact O-N 3.45Å; A28-L31 PolarHBondContact O-N 2.86Å; A28-A32 WeakPolarHBondContact O-CB 3.22Å; A28-A32 PolarHBondContact O-N 3.41Å |
| 29 | C | 98 | Very high | 97.2 | Very high | 72 Ų | 72 | 97.3 Ų | 97.3 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 176.9 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | V25 K26 A32 L33 | V25-C29 PolarHBondContact O-N 3Å; V25-C29 PolarHBondContact O-SG 3.38Å; V25-C29 VanDerWaalsContact O-SG 3.35Å; K26-C29 PolarHBondContact O-N 3.41Å; C29-A32 PolarHBondContact O-N 2.92Å; C29-L33 WeakPolarHBondContact O-CG 3.42Å; C29-L33 PolarHBondContact O-N 3.48Å; C29-L33 VanDerWaalsContact O-N 3.1Å |
| 30 | T | 97.9 | Very high | 97.4 | Very high | 57 Ų | 57 | 96.6 Ų | 96.6 | 35% | 0.35 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 178.2 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | K26 M27 A28 L33 L34 | K26-T30 WeakPolarHBondContact O-CG2 3.37Å; K26-T30 PolarHBondContact O-N 3.33Å; K26-T30 PolarHBondContact O-OG1 3.43Å; M27-T30 WeakPolarHBondContact CA-OG1 3.32Å; M27-T30 PolarHBondContact O-N 2.91Å; M27-T30 PolarHBondContact O-OG1 3.35Å; A28-T30 PolarHBondContact O-N 3.45Å; T30-L33 PolarHBondContact O-N 3.31Å; T30-L34 WeakPolarHBondContact O-CB 3.42Å; T30-L34 VanDerWaalsContact O-CG 3.27Å; T30-L34 WeakPolarHBondContact O-CG 2.91Å; T30-L34 PolarHBondContact O-N 3.1Å |
| 31 | L | 97.8 | Very high | 97.5 | Very high | 105 Ų | 105 | 94.9 Ų | 94.9 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 176.3 | -69.9 | 174 | 0 | 0 | 0 | 112 | M27 A28 L33 L34 A35 | M27-L31 WeakPolarHBondContact O-CB 3.46Å; M27-L31 VanDerWaalsContact O-CG 3.27Å; M27-L31 WeakPolarHBondContact O-CG 3.33Å; M27-L31 PolarHBondContact O-N 2.92Å; A28-L31 PolarHBondContact O-N 2.86Å; L31-L33 VanDerWaalsContact C-N 3.28Å; L31-L33 PolarHBondContact O-N 3.05Å; L31-L34 PolarHBondContact O-N 3.28Å; L31-A35 WeakPolarHBondContact O-CB 3.36Å; L31-A35 PolarHBondContact O-N 2.96Å |
| 32 | A | 97.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 97.1 Ų | 97.1 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -32 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A28 C29 P36 | A28-A32 WeakPolarHBondContact O-CB 3.22Å; A28-A32 PolarHBondContact O-N 3.41Å; C29-A32 PolarHBondContact O-N 2.92Å; A32-P36 WeakPolarHBondContact O-CD 3.49Å; A32-P36 WeakPolarHBondContact O-CG 3.27Å |
| 33 | L | 97.3 | Very high | 97.5 | Very high | 131 Ų | 131 | 95 Ų | 95 | 69% | 0.686 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -81.6 | -36.6 | 173.8 | -68.4 | 174.2 | 0 | 0 | 0 | 112.6 | C29 T30 L31 P36 L37 | C29-L33 WeakPolarHBondContact O-CG 3.42Å; C29-L33 PolarHBondContact O-N 3.48Å; C29-L33 VanDerWaalsContact O-N 3.1Å; T30-L33 PolarHBondContact O-N 3.31Å; L31-L33 VanDerWaalsContact C-N 3.28Å; L31-L33 PolarHBondContact O-N 3.05Å; L33-P36 WeakPolarHBondContact O-CD 3.31Å; L33-P36 WeakPolarHBondContact O-CG 3.5Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 2.85Å |
| 34 | L | 97.9 | Very high | 97.4 | Very high | 88 Ų | 88 | 88.7 Ų | 88.7 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 179.7 | -78.6 | 169.9 | 0 | 0 | 0 | 112.4 | T30 L31 L37 L38 | T30-L34 WeakPolarHBondContact O-CB 3.42Å; T30-L34 VanDerWaalsContact O-CG 3.27Å; T30-L34 WeakPolarHBondContact O-CG 2.91Å; T30-L34 PolarHBondContact O-N 3.1Å; L31-L34 PolarHBondContact O-N 3.28Å; L34-L37 PolarHBondContact O-N 3.39Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.4Å; L34-L38 PolarHBondContact O-N 3.43Å |
| 35 | A | 97.2 | Very high | 97.3 | Very high | 60 Ų | 60 | 88.1 Ų | 88.1 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.4 | -54.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L31 L37 L38 F39 | L31-A35 WeakPolarHBondContact O-CB 3.36Å; L31-A35 PolarHBondContact O-N 2.96Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 2.96Å; A35-L38 PolarHBondContact O-N 2.86Å; A35-F39 WeakPolarHBondContact O-CB 3.36Å; A35-F39 PolarHBondContact O-N 3.24Å |
| 36 | P | 97.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 86.3 Ų | 86.3 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.2 | -32.2 | 178 | 26.4 | -34.5 | 0 | 0 | 0 | 112.4 | A32 L33 F39 Y40 | A32-P36 WeakPolarHBondContact O-CD 3.49Å; A32-P36 WeakPolarHBondContact O-CG 3.27Å; L33-P36 WeakPolarHBondContact O-CD 3.31Å; L33-P36 WeakPolarHBondContact O-CG 3.5Å; P36-F39 PolarHBondContact O-N 3.14Å; P36-Y40 WeakPolarHBondContact O-CB 3.4Å; P36-Y40 PolarHBondContact O-N 3.49Å |
| 37 | L | 97.6 | Very high | 97.2 | Very high | 101 Ų | 101 | 84.8 Ų | 84.8 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 175.8 | -172.9 | 151.1 | 0 | 0 | 0 | 111 | L33 L34 A35 Y40 T41 | L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 2.85Å; L34-L37 PolarHBondContact O-N 3.39Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 2.96Å; L37-Y40 PolarHBondContact O-N 3.37Å; L37-T41 HydrophobicContact CD2-CG2 4.19Å; L37-T41 WeakPolarHBondContact O-CG2 3.44Å; L37-T41 PolarHBondContact O-N 3.41Å; L37-T41 PolarHBondContact O-OG1 3.25Å; L37-T41 VanDerWaalsContact O-OG1 3.07Å |
| 38 | L | 97.7 | Very high | 97.1 | Very high | 89 Ų | 89 | 85.7 Ų | 85.7 | 47% | 0.466 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.4 | -71.1 | 173.3 | 0 | 0 | 0 | 111.5 | L34 A35 Y40 T41 L42 | L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.4Å; L34-L38 PolarHBondContact O-N 3.43Å; A35-L38 PolarHBondContact O-N 2.86Å; L38-Y40 VanDerWaalsContact C-N 3.3Å; L38-Y40 PolarHBondContact O-N 3.26Å; L38-T41 PolarHBondContact O-N 3Å; L38-T41 PolarHBondContact O-OG1 2.89Å; L38-L42 HydrophobicContact CD2-CD1 4.3Å; L38-L42 VanDerWaalsContact O-CB 3.26Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 3.07Å |
| 39 | F | 97.7 | Very high | 97 | Very high | 114 Ų | 114 | 90.7 Ų | 90.7 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 176.2 | -171.8 | -106.7 | 0 | 0 | 0 | 111.7 | A35 P36 H43 N44 | A35-F39 WeakPolarHBondContact O-CB 3.36Å; A35-F39 PolarHBondContact O-N 3.24Å; P36-F39 PolarHBondContact O-N 3.14Å; F39-H43 HydrophobicContact CD2-CB 3.99Å; F39-H43 HydrophobicContact CE2-CB 3.89Å; F39-H43 AromaticContact CE2-CD2 3.76Å; F39-H43 AromaticContact CE2-CG 3.8Å; F39-H43 HydrophobicContact CZ-CB 4.33Å; F39-H43 AromaticContact CZ-CD2 3.5Å; F39-H43 VanDerWaalsContact CZ-CD2 3.5Å; F39-H43 WeakPolarHBondContact CZ-CD2 3.43Å; F39-H43 WeakPolarHBondContact O-CA 3.42Å; F39-H43 VanDerWaalsContact O-CB 3.23Å; F39-H43 WeakPolarHBondContact O-CB 3.47Å; F39-H43 PolarHBondContact O-N 3.22Å; F39-N44 PolarHBondContact O-N 3.42Å; F39-N44 VanDerWaalsContact O-N 3.14Å |
| 40 | Y | 97.5 | Very high | 96.9 | Very high | 116 Ų | 116 | 94.8 Ų | 94.8 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -65.1 | -48.3 | 176.7 | -178.4 | -100.2 | 0 | 0 | 0 | 112.2 | P36 L37 L38 N44 N45 | P36-Y40 WeakPolarHBondContact O-CB 3.4Å; P36-Y40 PolarHBondContact O-N 3.49Å; L37-Y40 PolarHBondContact O-N 3.37Å; L38-Y40 VanDerWaalsContact C-N 3.3Å; L38-Y40 PolarHBondContact O-N 3.26Å; Y40-N44 HydrophobicContact CD2-CB 4.01Å; Y40-N44 HydrophobicContact CE2-CB 4.5Å; Y40-N44 PolarHBondContact O-N 3.04Å; Y40-N45 VanDerWaalsContact O-CB 3.31Å; Y40-N45 WeakPolarHBondContact O-CB 3.23Å; Y40-N45 PolarHBondContact O-N 2.94Å |
| 41 | T | 97.1 | Very high | 96.8 | Very high | 58 Ų | 58 | 99.1 Ų | 99.1 | 36% | 0.356 | 49% | 0.492 | S | S | . | . | I | π-helix | trans | -74.4 | -35.4 | -174.5 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | L37 L38 P46 | L37-T41 HydrophobicContact CD2-CG2 4.19Å; L37-T41 WeakPolarHBondContact O-CG2 3.44Å; L37-T41 PolarHBondContact O-N 3.41Å; L37-T41 PolarHBondContact O-OG1 3.25Å; L37-T41 VanDerWaalsContact O-OG1 3.07Å; L38-T41 PolarHBondContact O-N 3Å; L38-T41 PolarHBondContact O-OG1 2.89Å; T41-P46 VanDerWaalsContact O-CD 3.23Å; T41-P46 WeakPolarHBondContact O-CD 3.42Å; T41-P46 WeakPolarHBondContact O-CG 3.3Å |
| 42 | L | 97.2 | Very high | 96.7 | Very high | 129 Ų | 129 | 103.6 Ų | 103.6 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | I | π-helix | trans | -96.5 | -26 | -174.8 | -59.3 | 178.2 | 0 | 0 | 0 | 113.7 | L38 P46 | L38-L42 HydrophobicContact CD2-CD1 4.3Å; L38-L42 VanDerWaalsContact O-CB 3.26Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 3.07Å; L42-P46 WeakPolarHBondContact O-CG 3.31Å |
| 43 | H | 96 | Very high | 96.6 | Very high | 94 Ų | 94 | 104.7 Ų | 104.7 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | I | π-helix | trans | -111.9 | -59.1 | -178.4 | -173.2 | 82.4 | 0 | 0 | 0 | 112.4 | F39 R47 | F39-H43 HydrophobicContact CD2-CB 3.99Å; F39-H43 HydrophobicContact CE2-CB 3.89Å; F39-H43 AromaticContact CE2-CD2 3.76Å; F39-H43 AromaticContact CE2-CG 3.8Å; F39-H43 HydrophobicContact CZ-CB 4.33Å; F39-H43 AromaticContact CZ-CD2 3.5Å; F39-H43 VanDerWaalsContact CZ-CD2 3.5Å; F39-H43 WeakPolarHBondContact CZ-CD2 3.43Å; F39-H43 WeakPolarHBondContact O-CA 3.42Å; F39-H43 VanDerWaalsContact O-CB 3.23Å; F39-H43 WeakPolarHBondContact O-CB 3.47Å; F39-H43 PolarHBondContact O-N 3.22Å; H43-R47 WeakPolarHBondContact O-CB 3.31Å; H43-R47 PolarHBondContact O-N 2.84Å |
| 44 | N | 95.3 | Very high | 96.5 | Very high | 32 Ų | 32 | 103.8 Ų | 103.8 | 17% | 0.171 | 49% | 0.489 | C | S | . | . | I | π-helix | trans | -69.9 | -45.6 | -171.9 | -70.1 | -33 | 0 | 0 | 0 | 113 | F39 Y40 R47 K48 | F39-N44 PolarHBondContact O-N 3.42Å; F39-N44 VanDerWaalsContact O-N 3.14Å; Y40-N44 HydrophobicContact CD2-CB 4.01Å; Y40-N44 HydrophobicContact CE2-CB 4.5Å; Y40-N44 PolarHBondContact O-N 3.04Å; N44-R47 PolarHBondContact O-N 3.43Å; N44-R47 PolarHBondContact OD1-NH2 2.91Å; N44-K48 WeakPolarHBondContact O-CG 3.35Å; N44-K48 PolarHBondContact O-N 3.36Å |
| 45 | N | 95.8 | Very high | 96.3 | Very high | 76 Ų | 76 | 106.6 Ų | 106.6 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -45.3 | -176.5 | -166.6 | 17.9 | 0 | 0 | 0 | 112.1 | Y40 R47 K48 R49 | Y40-N45 VanDerWaalsContact O-CB 3.31Å; Y40-N45 WeakPolarHBondContact O-CB 3.23Å; Y40-N45 PolarHBondContact O-N 2.94Å; N45-R47 VanDerWaalsContact C-N 3.31Å; N45-R47 PolarHBondContact O-N 3.33Å; N45-K48 PolarHBondContact O-N 2.87Å; N45-R49 WeakPolarHBondContact O-CB 3.4Å; N45-R49 PolarHBondContact O-N 3.27Å |
| 46 | P | 96.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 107.7 Ų | 107.7 | 25% | 0.247 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.1 | -36 | 175.6 | -26.4 | 39.3 | 0 | 0 | 0 | 112.7 | T41 L42 R49 K50 | T41-P46 VanDerWaalsContact O-CD 3.23Å; T41-P46 WeakPolarHBondContact O-CD 3.42Å; T41-P46 WeakPolarHBondContact O-CG 3.3Å; L42-P46 WeakPolarHBondContact O-CG 3.31Å; P46-R49 PolarHBondContact O-N 3.11Å; P46-K50 VanDerWaalsContact O-CG 3.31Å; P46-K50 WeakPolarHBondContact O-CG 3.47Å; P46-K50 PolarHBondContact O-N 3.17Å |
| 47 | R | 95.9 | Very high | 95.9 | Very high | 120 Ų | 120 | 109.9 Ų | 109.9 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -54.4 | 172.3 | -178 | 179 | 64.5 | -171.8 | -3.7 | 110.8 | H43 N44 N45 R49 K50 Y51 | H43-R47 WeakPolarHBondContact O-CB 3.31Å; H43-R47 PolarHBondContact O-N 2.84Å; N44-R47 PolarHBondContact O-N 3.43Å; N44-R47 PolarHBondContact OD1-NH2 2.91Å; N45-R47 VanDerWaalsContact C-N 3.31Å; N45-R47 PolarHBondContact O-N 3.33Å; R47-R49 VanDerWaalsContact C-N 3.29Å; R47-R49 PolarHBondContact O-N 3.24Å; R47-K50 PolarHBondContact O-N 3.36Å; R47-Y51 HydrophobicContact CG-CD2 3.98Å; R47-Y51 HydrophobicContact CG-CE2 3.83Å; R47-Y51 VanDerWaalsContact O-CD2 3.3Å; R47-Y51 WeakPolarHBondContact O-CD2 3.25Å; R47-Y51 PolarHBondContact O-N 3.42Å; R47-Y51 VanDerWaalsContact O-N 3.11Å |
| 48 | K | 96.1 | Very high | 95.6 | Very high | 122 Ų | 122 | 109.5 Ų | 109.5 | 53% | 0.53 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 178.4 | -71.8 | -176.7 | 179.7 | -174.1 | 0 | 112.1 | N44 N45 Y51 R52 | N44-K48 WeakPolarHBondContact O-CG 3.35Å; N44-K48 PolarHBondContact O-N 3.36Å; N45-K48 PolarHBondContact O-N 2.87Å; K48-Y51 PolarHBondContact O-N 3.42Å; K48-R52 WeakPolarHBondContact O-CB 3.23Å; K48-R52 PolarHBondContact O-N 2.96Å |
| 49 | R | 95.9 | Very high | 95.4 | Very high | 162 Ų | 162 | 109.4 Ų | 109.4 | 61% | 0.611 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -43 | 176.9 | -169.1 | 173.9 | 72.6 | -177 | 3.2 | 112.2 | N45 P46 R47 R52 N53 | N45-R49 WeakPolarHBondContact O-CB 3.4Å; N45-R49 PolarHBondContact O-N 3.27Å; P46-R49 PolarHBondContact O-N 3.11Å; R47-R49 VanDerWaalsContact C-N 3.29Å; R47-R49 PolarHBondContact O-N 3.24Å; R49-R52 PolarHBondContact O-N 2.89Å; R49-N53 WeakPolarHBondContact O-CB 3.44Å; R49-N53 PolarHBondContact O-N 3.48Å; R49-N53 PolarHBondContact O-OD1 3.34Å |
| 50 | K | 95.6 | Very high | 95.1 | Very high | 158 Ų | 158 | 107.8 Ų | 107.8 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -47.6 | 175.9 | -75.8 | 176.8 | -178.7 | -175.6 | 0 | 111.8 | P46 R47 N53 F54 | P46-K50 VanDerWaalsContact O-CG 3.31Å; P46-K50 WeakPolarHBondContact O-CG 3.47Å; P46-K50 PolarHBondContact O-N 3.17Å; R47-K50 PolarHBondContact O-N 3.36Å; K50-N53 PolarHBondContact O-N 3.45Å; K50-F54 WeakPolarHBondContact O-CB 3.42Å; K50-F54 PolarHBondContact O-N 3.31Å |
| 51 | Y | 95.3 | Very high | 94.8 | Very high | 148 Ų | 148 | 107.5 Ų | 107.5 | 58% | 0.58 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -45.7 | 176.8 | -83.2 | -80.5 | 0 | 0 | 0 | 112.2 | R47 K48 N53 F54 Y55 | R47-Y51 HydrophobicContact CG-CD2 3.98Å; R47-Y51 HydrophobicContact CG-CE2 3.83Å; R47-Y51 VanDerWaalsContact O-CD2 3.3Å; R47-Y51 WeakPolarHBondContact O-CD2 3.25Å; R47-Y51 PolarHBondContact O-N 3.42Å; R47-Y51 VanDerWaalsContact O-N 3.11Å; K48-Y51 PolarHBondContact O-N 3.42Å; Y51-N53 VanDerWaalsContact C-N 3.34Å; Y51-N53 PolarHBondContact O-N 3.47Å; Y51-F54 PolarHBondContact O-N 3.45Å; Y51-Y55 HydrophobicContact CD1-CE2 4.13Å; Y51-Y55 VanDerWaalsContact O-CD2 3.25Å; Y51-Y55 WeakPolarHBondContact O-CD2 3.33Å; Y51-Y55 PolarHBondContact O-N 2.92Å; Y51-Y55 VanDerWaalsContact O-N 3.09Å |
| 52 | R | 96.2 | Very high | 94.4 | Very high | 198 Ų | 198 | 107.9 Ų | 107.9 | 75% | 0.747 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.6 | -45.5 | 176.4 | -179.2 | 178.9 | 173.2 | 179.5 | -1.4 | 111.7 | K48 R49 Y55 S56 | K48-R52 WeakPolarHBondContact O-CB 3.23Å; K48-R52 PolarHBondContact O-N 2.96Å; R49-R52 PolarHBondContact O-N 2.89Å; R52-Y55 PolarHBondContact O-N 3.39Å; R52-S56 WeakPolarHBondContact O-CB 3.25Å; R52-S56 PolarHBondContact O-N 3.33Å |
| 53 | N | 94.9 | Very high | 94.1 | Very high | 89 Ų | 89 | 102.6 Ų | 102.6 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 179.8 | -70.7 | 0.7 | 0 | 0 | 0 | 111.3 | R49 K50 Y51 Y55 S56 | R49-N53 WeakPolarHBondContact O-CB 3.44Å; R49-N53 PolarHBondContact O-N 3.48Å; R49-N53 PolarHBondContact O-OD1 3.34Å; K50-N53 PolarHBondContact O-N 3.45Å; Y51-N53 VanDerWaalsContact C-N 3.34Å; Y51-N53 PolarHBondContact O-N 3.47Å; N53-Y55 PolarHBondContact O-N 3.27Å; N53-S56 PolarHBondContact O-N 3.09Å; N53-S56 PolarHBondContact O-OG 3.06Å |
| 54 | F | 94.5 | Very high | 93.9 | Very high | 113 Ų | 113 | 101.7 Ų | 101.7 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56 | -53.4 | 176.3 | -178.1 | -96.8 | 0 | 0 | 0 | 110.7 | K50 Y51 S56 Y58 | K50-F54 WeakPolarHBondContact O-CB 3.42Å; K50-F54 PolarHBondContact O-N 3.31Å; Y51-F54 PolarHBondContact O-N 3.45Å; F54-S56 VanDerWaalsContact C-N 3.34Å; F54-S56 PolarHBondContact O-N 2.87Å; F54-Y58 HydrophobicContact CD1-CD2 4.39Å; F54-Y58 AromaticContact CE1-CD2 3.56Å; F54-Y58 HydrophobicContact CE1-CD2 3.56Å; F54-Y58 AromaticContact CE1-CE2 3.85Å; F54-Y58 HydrophobicContact CE1-CE2 3.85Å; F54-Y58 HydrophobicContact CE1-CG 4.01Å; F54-Y58 HydrophobicContact CE2-CD2 4.3Å; F54-Y58 AromaticContact CZ-CD2 3.51Å; F54-Y58 HydrophobicContact CZ-CD2 3.51Å; F54-Y58 AromaticContact CZ-CE2 3.6Å; F54-Y58 HydrophobicContact CZ-CE2 3.6Å; F54-Y58 HydrophobicContact CZ-CG 4.4Å; F54-Y58 WeakPolarHBondContact O-CB 3.34Å; F54-Y58 PolarHBondContact O-N 3.39Å |
| 55 | Y | 94.4 | Very high | 93.5 | Very high | 146 Ų | 146 | 102.5 Ų | 102.5 | 57% | 0.573 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -76.7 | -15.9 | -177.5 | -70 | -65 | 0 | 0 | 0 | 115 | Y51 R52 N53 T57 Y58 | Y51-Y55 HydrophobicContact CD1-CE2 4.13Å; Y51-Y55 VanDerWaalsContact O-CD2 3.25Å; Y51-Y55 WeakPolarHBondContact O-CD2 3.33Å; Y51-Y55 PolarHBondContact O-N 2.92Å; Y51-Y55 VanDerWaalsContact O-N 3.09Å; R52-Y55 PolarHBondContact O-N 3.39Å; N53-Y55 PolarHBondContact O-N 3.27Å; Y55-T57 PolarHBondContact O-N 3.4Å; Y55-Y58 HydrophobicContact CD1-CD1 4.21Å; Y55-Y58 HydrophobicContact CD1-CG 4.35Å; Y55-Y58 HydrophobicContact CE1-CD1 4.34Å |
| 56 | S | 93.7 | Very high | 93.2 | Very high | 83 Ų | 83 | 106.7 Ų | 106.7 | 58% | 0.58 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.1 | -26 | 178.5 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | R52 N53 F54 | R52-S56 WeakPolarHBondContact O-CB 3.25Å; R52-S56 PolarHBondContact O-N 3.33Å; N53-S56 PolarHBondContact O-N 3.09Å; N53-S56 PolarHBondContact O-OG 3.06Å; F54-S56 VanDerWaalsContact C-N 3.34Å; F54-S56 PolarHBondContact O-N 2.87Å |
| 57 | T | 91.7 | Very high | 92.8 | Very high | 121 Ų | 121 | 109.4 Ų | 109.4 | 74% | 0.742 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -130.1 | 16 | -179.6 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | Y55 D59 | Y55-T57 PolarHBondContact O-N 3.4Å; T57-D59 PolarHBondContact O-N 3.43Å |
| 58 | Y | 92.5 | Very high | 92.3 | Very high | 93 Ų | 93 | 104.3 Ų | 104.3 | 37% | 0.365 | 48% | 0.484 | S | S | . | . | trans | -78.1 | 114.1 | -178.4 | -176.7 | -107.2 | 0 | 0 | 0 | 110.2 | F54 Y55 P60 A63 | F54-Y58 HydrophobicContact CD1-CD2 4.39Å; F54-Y58 AromaticContact CE1-CD2 3.56Å; F54-Y58 HydrophobicContact CE1-CD2 3.56Å; F54-Y58 AromaticContact CE1-CE2 3.85Å; F54-Y58 HydrophobicContact CE1-CE2 3.85Å; F54-Y58 HydrophobicContact CE1-CG 4.01Å; F54-Y58 HydrophobicContact CE2-CD2 4.3Å; F54-Y58 AromaticContact CZ-CD2 3.51Å; F54-Y58 HydrophobicContact CZ-CD2 3.51Å; F54-Y58 AromaticContact CZ-CE2 3.6Å; F54-Y58 HydrophobicContact CZ-CE2 3.6Å; F54-Y58 HydrophobicContact CZ-CG 4.4Å; F54-Y58 WeakPolarHBondContact O-CB 3.34Å; F54-Y58 PolarHBondContact O-N 3.39Å; Y55-Y58 HydrophobicContact CD1-CD1 4.21Å; Y55-Y58 HydrophobicContact CD1-CG 4.35Å; Y55-Y58 HydrophobicContact CE1-CD1 4.34Å; Y58-P60 HydrophobicContact CE1-CB 3.95Å; Y58-A63 HydrophobicContact CE2-CB 3.62Å; Y58-A63 VanDerWaalsContact OH-CB 3.25Å; Y58-A63 WeakPolarHBondContact OH-CB 3.38Å | ||
| 59 | D | 92.8 | Very high | 91.9 | Very high | 88 Ų | 88 | 102.7 Ų | 102.7 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | trans | -94.4 | 111.5 | 167.1 | -176.9 | -8.8 | 0 | 0 | 0 | 109.1 | T57 M61 D62 A63 | T57-D59 PolarHBondContact O-N 3.43Å; D59-M61 VanDerWaalsContact C-N 3.26Å; D59-M61 PolarHBondContact O-N 3Å; D59-M61 PolarHBondContact OD1-N 3.04Å; D59-D62 HydrophobicContact CB-CB 3.99Å; D59-D62 PolarHBondContact O-N 3.25Å; D59-A63 PolarHBondContact O-N 2.89Å; D59-A63 VanDerWaalsContact O-N 3.11Å | ||
| 60 | P | 92.3 | Very high | 91.5 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -31 | -179 | 27 | -34.7 | 0 | 0 | 0 | 112.9 | Y58 F64 | Y58-P60 HydrophobicContact CE1-CB 3.95Å; P60-F64 WeakPolarHBondContact O-CB 3.48Å; P60-F64 PolarHBondContact O-N 3.37Å |
| 61 | M | 90.2 | Very high | 91 | Very high | 111 Ų | 111 | 91.4 Ų | 91.4 | 55% | 0.547 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75 | -42.3 | -178.5 | -69 | -56.6 | -57.8 | 0 | 0 | 111.3 | D59 A63 F64 D65 | D59-M61 VanDerWaalsContact C-N 3.26Å; D59-M61 PolarHBondContact O-N 3Å; D59-M61 PolarHBondContact OD1-N 3.04Å; M61-A63 VanDerWaalsContact C-N 3.32Å; M61-A63 PolarHBondContact O-N 3.06Å; M61-F64 PolarHBondContact O-N 2.83Å; M61-D65 WeakPolarHBondContact O-CB 3.48Å; M61-D65 PolarHBondContact O-N 3.05Å |
| 62 | D | 90.2 | Very high | 90.6 | Very high | 66 Ų | 66 | 93.5 Ų | 93.5 | 35% | 0.353 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 173.7 | -178.2 | 52.2 | 0 | 0 | 0 | 111.5 | D59 F64 D65 R66 | D59-D62 HydrophobicContact CB-CB 3.99Å; D59-D62 PolarHBondContact O-N 3.25Å; D62-F64 PolarHBondContact O-N 3.46Å; D62-D65 PolarHBondContact O-N 3.06Å; D62-R66 VanDerWaalsContact O-CG 3.25Å; D62-R66 WeakPolarHBondContact O-CG 3.4Å; D62-R66 PolarHBondContact O-N 2.99Å; D62-R66 IonicContact OD1-NE 3.55Å; D62-R66 IonicContact OD1-NH2 3.94Å; D62-R66 IonicContact OD2-CZ 3.11Å; D62-R66 IonicContact OD2-NE 3.02Å; D62-R66 PolarHBondContact OD2-NE 3.48Å; D62-R66 IonicContact OD2-NH2 2.66Å; D62-R66 PolarHBondContact OD2-NH2 3.23Å |
| 63 | A | 91 | Very high | 90.2 | Very high | 17 Ų | 17 | 86 Ų | 86 | 14% | 0.14 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y58 D59 M61 R66 M67 | Y58-A63 HydrophobicContact CE2-CB 3.62Å; Y58-A63 VanDerWaalsContact OH-CB 3.25Å; Y58-A63 WeakPolarHBondContact OH-CB 3.38Å; D59-A63 PolarHBondContact O-N 2.89Å; D59-A63 VanDerWaalsContact O-N 3.11Å; M61-A63 VanDerWaalsContact C-N 3.32Å; M61-A63 PolarHBondContact O-N 3.06Å; A63-R66 PolarHBondContact O-N 3.21Å; A63-M67 WeakPolarHBondContact O-CG 3.34Å; A63-M67 PolarHBondContact O-N 3.46Å |
| 64 | F | 90.1 | Very high | 89.7 | Confident | 75 Ų | 75 | 87.8 Ų | 87.8 | 33% | 0.329 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 176.1 | 177.5 | -106.2 | 0 | 0 | 0 | 112.2 | P60 M61 D62 R66 M67 M68 L73 | P60-F64 WeakPolarHBondContact O-CB 3.48Å; P60-F64 PolarHBondContact O-N 3.37Å; M61-F64 PolarHBondContact O-N 2.83Å; D62-F64 PolarHBondContact O-N 3.46Å; F64-R66 VanDerWaalsContact C-N 3.28Å; F64-R66 PolarHBondContact O-N 3.43Å; F64-M67 PolarHBondContact O-N 3.11Å; F64-M68 HydrophobicContact CD1-CE 4.03Å; F64-M68 HydrophobicContact CE1-CE 3.14Å; F64-M68 HydrophobicContact CE2-CE 4.5Å; F64-M68 HydrophobicContact CZ-CE 3.43Å; F64-M68 VanDerWaalsContact CZ-CE 3.43Å; F64-M68 PolarHBondContact O-N 3.35Å; F64-L73 HydrophobicContact CD2-CD1 3.87Å; F64-L73 HydrophobicContact CE2-CD1 3.41Å; F64-L73 VanDerWaalsContact CE2-CD1 3.41Å; F64-L73 HydrophobicContact CZ-CD1 4.11Å |
| 65 | D | 88.6 | Confident | 89.4 | Confident | 49 Ų | 49 | 87 Ų | 87 | 26% | 0.262 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 176.7 | -78.8 | -9 | 0 | 0 | 0 | 111.3 | M61 D62 S69 | M61-D65 WeakPolarHBondContact O-CB 3.48Å; M61-D65 PolarHBondContact O-N 3.05Å; D62-D65 PolarHBondContact O-N 3.06Å; D65-S69 VanDerWaalsContact O-CB 3.27Å; D65-S69 WeakPolarHBondContact O-CB 3.32Å; D65-S69 PolarHBondContact O-N 3.35Å; D65-S69 PolarHBondContact O-OG 3.42Å |
| 66 | R | 88.3 | Confident | 88.7 | Confident | 164 Ų | 164 | 81.3 Ų | 81.3 | 62% | 0.619 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 173.2 | -69.2 | 171.9 | -167 | -158.5 | 5.2 | 112.5 | D62 A63 F64 S69 G70 | D62-R66 VanDerWaalsContact O-CG 3.25Å; D62-R66 WeakPolarHBondContact O-CG 3.4Å; D62-R66 PolarHBondContact O-N 2.99Å; D62-R66 IonicContact OD1-NE 3.55Å; D62-R66 IonicContact OD1-NH2 3.94Å; D62-R66 IonicContact OD2-CZ 3.11Å; D62-R66 IonicContact OD2-NE 3.02Å; D62-R66 PolarHBondContact OD2-NE 3.48Å; D62-R66 IonicContact OD2-NH2 2.66Å; D62-R66 PolarHBondContact OD2-NH2 3.23Å; A63-R66 PolarHBondContact O-N 3.21Å; F64-R66 VanDerWaalsContact C-N 3.28Å; F64-R66 PolarHBondContact O-N 3.43Å; R66-S69 WeakPolarHBondContact CA-OG 3.44Å; R66-S69 PolarHBondContact O-OG 2.86Å; R66-G70 PolarHBondContact O-N 2.98Å |
| 67 | M | 88.6 | Confident | 87.7 | Confident | 95 Ų | 95 | 81 Ų | 81 | 47% | 0.468 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 177.6 | -72.7 | -177.3 | -175.9 | 0 | 0 | 112.4 | A63 F64 G70 G71 Y72 L73 | A63-M67 WeakPolarHBondContact O-CG 3.34Å; A63-M67 PolarHBondContact O-N 3.46Å; F64-M67 PolarHBondContact O-N 3.11Å; M67-G70 PolarHBondContact O-N 3.48Å; M67-G71 PolarHBondContact O-N 2.72Å; M67-Y72 PolarHBondContact O-N 2.7Å; M67-L73 HydrophobicContact CB-CD1 4.28Å; M67-L73 HydrophobicContact CB-CG 4.29Å |
| 68 | M | 86.1 | Confident | 86.7 | Confident | 13 Ų | 13 | 79.3 Ų | 79.3 | 6% | 0.064 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 177.5 | -171.4 | -167.9 | -60 | 0 | 0 | 111.3 | F64 G70 G71 L73 C76 P78 G81 | F64-M68 HydrophobicContact CD1-CE 4.03Å; F64-M68 HydrophobicContact CE1-CE 3.14Å; F64-M68 HydrophobicContact CE2-CE 4.5Å; F64-M68 HydrophobicContact CZ-CE 3.43Å; F64-M68 VanDerWaalsContact CZ-CE 3.43Å; F64-M68 PolarHBondContact O-N 3.35Å; M68-G70 VanDerWaalsContact C-N 3.25Å; M68-G70 PolarHBondContact O-N 3.33Å; M68-G71 PolarHBondContact O-N 3.33Å; M68-L73 HydrophobicContact CB-CD1 4.12Å; M68-C76 HydrophobicContact CE-CB 3.95Å; M68-C76 HydrophobicContact CG-CB 3.9Å; M68-C76 WeakPolarHBondContact CG-O 3.27Å; M68-C76 HydrophobicContact SD-CB 4.31Å; M68-P78 WeakPolarHBondContact O-CA 3.34Å; M68-G81 WeakPolarHBondContact SD-CA 3.49Å; M68-G81 PolarHBondContact SD-N 3.03Å |
| 69 | S | 86.3 | Confident | 85.5 | Confident | 88 Ų | 88 | 78.5 Ų | 78.5 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.5 | -31 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | D65 R66 G71 | D65-S69 VanDerWaalsContact O-CB 3.27Å; D65-S69 WeakPolarHBondContact O-CB 3.32Å; D65-S69 PolarHBondContact O-N 3.35Å; D65-S69 PolarHBondContact O-OG 3.42Å; R66-S69 WeakPolarHBondContact CA-OG 3.44Å; R66-S69 PolarHBondContact O-OG 2.86Å; S69-G71 PolarHBondContact O-N 2.94Å |
| 70 | G | 87.8 | Confident | 84.2 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 46% | 0.464 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -6.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R66 M67 M68 Y72 | R66-G70 PolarHBondContact O-N 2.98Å; M67-G70 PolarHBondContact O-N 3.48Å; M68-G70 VanDerWaalsContact C-N 3.25Å; M68-G70 PolarHBondContact O-N 3.33Å; G70-Y72 VanDerWaalsContact C-N 3.28Å; G70-Y72 PolarHBondContact O-N 2.9Å |
| 71 | G | 86.1 | Confident | 82.8 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 40% | 0.402 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 20.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M67 M68 S69 L73 | M67-G71 PolarHBondContact O-N 2.72Å; M68-G71 PolarHBondContact O-N 3.33Å; S69-G71 PolarHBondContact O-N 2.94Å; G71-L73 VanDerWaalsContact C-N 3.25Å; G71-L73 PolarHBondContact O-N 3.3Å |
| 72 | Y | 87 | Confident | 81.3 | Confident | 191 Ų | 191 | 74.5 Ų | 74.5 | 75% | 0.749 | 46% | 0.458 | S | S | * | . | trans | -75.6 | -13.8 | 178.5 | -64.8 | -76.5 | 0 | 0 | 0 | 113.3 | M67 G70 | M67-Y72 PolarHBondContact O-N 2.7Å; G70-Y72 VanDerWaalsContact C-N 3.28Å; G70-Y72 PolarHBondContact O-N 2.9Å | ||
| 73 | L | 87.1 | Confident | 79.8 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 22% | 0.215 | 48% | 0.48 | C | S | . | . | trans | -105.9 | 113.1 | -174.3 | -58.8 | 176.6 | 0 | 0 | 0 | 110.4 | F64 M67 M68 G71 S75 C76 | F64-L73 HydrophobicContact CD2-CD1 3.87Å; F64-L73 HydrophobicContact CE2-CD1 3.41Å; F64-L73 VanDerWaalsContact CE2-CD1 3.41Å; F64-L73 HydrophobicContact CZ-CD1 4.11Å; M67-L73 HydrophobicContact CB-CD1 4.28Å; M67-L73 HydrophobicContact CB-CG 4.29Å; M68-L73 HydrophobicContact CB-CD1 4.12Å; G71-L73 VanDerWaalsContact C-N 3.25Å; G71-L73 PolarHBondContact O-N 3.3Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.04Å; L73-C76 HydrophobicContact CB-CB 3.99Å; L73-C76 HydrophobicContact CD1-CB 4.14Å; L73-C76 CarbonylContact O-C 3.32Å; L73-C76 PolarHBondContact O-N 3.35Å; L73-C76 VanDerWaalsContact O-O 3.12Å | ||
| 74 | S | 85.2 | Confident | 78.2 | Confident | 127 Ų | 127 | 87.7 Ų | 87.7 | 89% | 0.888 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -30.7 | 174 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | C76 | S74-C76 VanDerWaalsContact C-N 3.32Š|
| 75 | S | 87.8 | Confident | 76.4 | Confident | 97 Ų | 97 | 91 Ų | 91 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.8 | 177.1 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | L73 | L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.04Å |
| 76 | C | 78.5 | Confident | 74.6 | Confident | 26 Ų | 26 | 96.1 Ų | 96.1 | 18% | 0.176 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -135.9 | 79.4 | -176.4 | -58 | 0 | 0 | 0 | 0 | 109 | M68 L73 S74 S80 | M68-C76 HydrophobicContact CE-CB 3.95Å; M68-C76 HydrophobicContact CG-CB 3.9Å; M68-C76 WeakPolarHBondContact CG-O 3.27Å; M68-C76 HydrophobicContact SD-CB 4.31Å; L73-C76 HydrophobicContact CB-CB 3.99Å; L73-C76 HydrophobicContact CD1-CB 4.14Å; L73-C76 CarbonylContact O-C 3.32Å; L73-C76 PolarHBondContact O-N 3.35Å; L73-C76 VanDerWaalsContact O-O 3.12Å; S74-C76 VanDerWaalsContact C-N 3.32Å; C76-S80 WeakPolarHBondContact CA-OG 3.26Å |
| 77 | P | 74.2 | Confident | 72.7 | Confident | 75 Ų | 75 | 97.9 Ų | 97.9 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | trans | -58.4 | 147.9 | -179.1 | 22 | -30.6 | 0 | 0 | 0 | 110.7 | G79 S80 | P77-G79 PolarHBondContact O-N 3.43Å; P77-S80 WeakPolarHBondContact O-CB 3.25Å; P77-S80 PolarHBondContact O-N 3.02Å; P77-S80 PolarHBondContact O-OG 2.66Å; P77-S80 VanDerWaalsContact O-OG 3.06Å | ||
| 78 | P | 70.8 | Confident | 70.3 | Confident | 87 Ų | 87 | 102.6 Ų | 102.6 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 118.8 | -177.7 | 18.1 | -27.7 | 0 | 0 | 0 | 110 | M68 | M68-P78 WeakPolarHBondContact O-CA 3.34Š|
| 79 | G | 66.8 | Low | 68.2 | Low | 75 Ų | 75 | 112.2 Ų | 112.2 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.1 | -6.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116 | P77 G81 | P77-G79 PolarHBondContact O-N 3.43Å; G79-G81 PolarHBondContact O-N 3.43Å |
| 80 | S | 66.1 | Low | 66 | Low | 65 Ų | 65 | 120.9 Ų | 120.9 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | trans | -80.4 | -1.2 | 173.7 | 73.4 | 0 | 0 | 0 | 0 | 114 | C76 P77 | C76-S80 WeakPolarHBondContact CA-OG 3.26Å; P77-S80 WeakPolarHBondContact O-CB 3.25Å; P77-S80 PolarHBondContact O-N 3.02Å; P77-S80 PolarHBondContact O-OG 2.66Å; P77-S80 VanDerWaalsContact O-OG 3.06Å | ||
| 81 | G | 62.4 | Low | 64.9 | Low | 20 Ų | 20 | 124.7 Ų | 124.7 | 21% | 0.206 | 67% | 0.665 | C | S | . | * | S | Bend | trans | -72.1 | 159.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M68 G79 K83 | M68-G81 WeakPolarHBondContact SD-CA 3.49Å; M68-G81 PolarHBondContact SD-N 3.03Å; G79-G81 PolarHBondContact O-N 3.43Å; G81-K83 PolarHBondContact O-N 3.21Å |
| 82 | P | 59.2 | Low | 63.8 | Low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 68% | 0.679 | S | S | * | * | trans | -54.5 | 119.8 | 174 | 22.7 | -30.3 | 0 | 0 | 0 | 108.3 | K84 | P82-K84 PolarHBondContact O-N 2.79Š| ||
| 83 | K | 56.8 | Low | 62.5 | Low | 187 Ų | 187 | 125.8 Ų | 125.8 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | trans | -53.3 | 113.5 | 169.3 | -76.2 | -179.6 | 178.2 | 174.6 | 0 | 105.4 | G81 D85 | G81-K83 PolarHBondContact O-N 3.21Å; K83-D85 PolarHBondContact O-N 2.93Å | ||
| 84 | K | 57.5 | Low | 61.1 | Low | 172 Ų | 172 | 130.8 Ų | 130.8 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | -60 | 98.8 | 165.3 | -83.5 | -179 | 178.8 | 169.6 | 0 | 104.5 | P82 D86 | P82-K84 PolarHBondContact O-N 2.79Å; K84-D86 VanDerWaalsContact C-N 3.34Å; K84-D86 PolarHBondContact O-N 2.77Å | ||
| 85 | D | 52.6 | Low | 59.6 | Low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | trans | -55.8 | 107.7 | 168.7 | -71.2 | -34.5 | 0 | 0 | 0 | 105.3 | K83 K87 | K83-D85 PolarHBondContact O-N 2.93Å; D85-K87 VanDerWaalsContact C-N 3.27Å; D85-K87 PolarHBondContact O-N 2.9Å | ||
| 86 | D | 52.3 | Low | 57.7 | Low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 69% | 0.692 | S | S | * | * | trans | -51 | 102.1 | 166.8 | -79.9 | -43.3 | 0 | 0 | 0 | 105.9 | K84 K88 | K84-D86 VanDerWaalsContact C-N 3.34Å; K84-D86 PolarHBondContact O-N 2.77Å; D86-K88 PolarHBondContact O-N 2.73Å | ||
| 87 | K | 46.6 | Very low | 56.2 | Low | 200 Ų | 200 | 140.9 Ų | 140.9 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | trans | -54.6 | 100 | 165.1 | -93.5 | -175.4 | 176.3 | 177.5 | 0 | 105.2 | D85 K89 | D85-K87 VanDerWaalsContact C-N 3.27Å; D85-K87 PolarHBondContact O-N 2.9Å; K87-K89 PolarHBondContact O-N 2.84Å | ||
| 88 | K | 38.9 | Very low | 54.8 | Low | 194 Ų | 194 | 146 Ų | 146 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -36.1 | 102.6 | 163.7 | -96 | 175 | 170.7 | 170 | 0 | 107.8 | D86 K90 | D86-K88 PolarHBondContact O-N 2.73Å; K88-K90 PolarHBondContact O-N 3.06Å | ||
| 89 | K | 42.6 | Very low | 53.5 | Low | 216 Ų | 216 | 150.9 Ų | 150.9 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | trans | -63.6 | 99.6 | 148.4 | -82 | -173.9 | 174.5 | -177.7 | 0 | 104.8 | K87 | K87-K89 PolarHBondContact O-N 2.84Š| ||
| 90 | K | 39.8 | Very low | 52.3 | Low | 270 Ų | 270 | 157.8 Ų | 157.8 | 100% | 1.174 | 76% | 0.762 | S | S | * | * | trans | -92.3 | 0 | 161.8 | -152.2 | -173.6 | -174 | -170 | 0 | 107.5 | K88 | K88-K90 PolarHBondContact O-N 3.06Š|
Retrieved 90 of 90 residues in 26 ms
(Link to these results)