| 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 | 42 | Very low | 64.2 | Low | 244 Ų | 244 | 148.9 Ų | 148.9 | 100% | 1.202 | 81% | 0.811 | S | S | * | * | 0 | 104.1 | 0 | -69.3 | -59.7 | 154.7 | 0 | 0 | 107.1 | |||||
| 2 | T | 59.5 | Low | 64.7 | Low | 145 Ų | 145 | 156.4 Ų | 156.4 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 131.7 | -177.2 | -5.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 3 | S | 61.9 | Low | 64.9 | Low | 98 Ų | 98 | 153.8 Ų | 153.8 | 69% | 0.685 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 147.8 | -178.5 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | E5 | S3-E5 PolarHBondContact O-N 3.49Š|
| 4 | P | 62.8 | Low | 64.9 | Low | 117 Ų | 117 | 149.8 Ų | 149.8 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 120.8 | 169.5 | 30.8 | -27.5 | 0 | 0 | 0 | 109.7 | D6 | P4-D6 PolarHBondContact O-N 3.28Š|
| 5 | E | 63.7 | Low | 64.6 | Low | 160 Ų | 160 | 146.7 Ų | 146.7 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 127.1 | 166.5 | -106.1 | 80.1 | -172.8 | 0 | 0 | 111.6 | S3 K7 | S3-E5 PolarHBondContact O-N 3.49Å; E5-K7 PolarHBondContact O-N 3.4Å |
| 6 | D | 64 | Low | 64 | Low | 125 Ų | 125 | 144.6 Ų | 144.6 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 107.1 | 171.7 | -170 | 9.4 | 0 | 0 | 0 | 110.1 | P4 H8 | P4-D6 PolarHBondContact O-N 3.28Å; D6-H8 VanDerWaalsContact CG-CD2 3.45Å; D6-H8 PolarHBondContact O-N 3.15Å; D6-H8 IonicContact OD1-CD2 3.34Å; D6-H8 PolarHBondContact OD1-CD2 2.88Å; D6-H8 IonicContact OD1-CE1 3.9Å; D6-H8 IonicContact OD1-CG 3.15Å; D6-H8 IonicContact OD1-ND1 2.77Å; D6-H8 IonicContact OD1-NE2 3.96Å; D6-H8 PolarHBondContact OD1-NE2 3.49Å; D6-H8 VanDerWaalsContact OD1-NE2 3.15Å; D6-H8 IonicContact OD2-CD2 3.71Å; D6-H8 PolarHBondContact OD2-CD2 3.34Å; D6-H8 IonicContact OD2-NE2 3.44Å | ||
| 7 | K | 65.3 | Low | 63.5 | Low | 188 Ų | 188 | 142.4 Ų | 142.4 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | -100.7 | 63.6 | -177.4 | -59.5 | -176.1 | -174.5 | -179.9 | 0 | 110.4 | E5 | E5-K7 PolarHBondContact O-N 3.4Š| ||
| 8 | H | 70.3 | Confident | 63 | Low | 159 Ų | 159 | 144.5 Ų | 144.5 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 122 | 170.7 | -70.4 | -39.7 | 0 | 0 | 0 | 111.1 | D6 | D6-H8 VanDerWaalsContact CG-CD2 3.45Å; D6-H8 PolarHBondContact O-N 3.15Å; D6-H8 IonicContact OD1-CD2 3.34Å; D6-H8 PolarHBondContact OD1-CD2 2.88Å; D6-H8 IonicContact OD1-CE1 3.9Å; D6-H8 IonicContact OD1-CG 3.15Å; D6-H8 IonicContact OD1-ND1 2.77Å; D6-H8 IonicContact OD1-NE2 3.96Å; D6-H8 PolarHBondContact OD1-NE2 3.49Å; D6-H8 VanDerWaalsContact OD1-NE2 3.15Å; D6-H8 IonicContact OD2-CD2 3.71Å; D6-H8 PolarHBondContact OD2-CD2 3.34Å; D6-H8 IonicContact OD2-NE2 3.44Å |
| 9 | G | 71.9 | Confident | 62.7 | Low | 69 Ų | 69 | 144.1 Ų | 144.1 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | K11 | G9-K11 PolarHBondContact O-N 3.28Š|
| 10 | T | 68.6 | Low | 62.5 | Low | 143 Ų | 143 | 140.7 Ų | 140.7 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 120.1 | 178.4 | -35.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 11 | K | 76.1 | Confident | 62.7 | Low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 137.9 | 171.8 | -63 | -66.8 | -177.4 | 178.1 | 0 | 109 | G9 | G9-K11 PolarHBondContact O-N 3.28Š|
| 12 | R | 70.8 | Confident | 64 | Low | 239 Ų | 239 | 128.7 Ų | 128.7 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 136.7 | 172.7 | -68.6 | -178.6 | 173.8 | -177.2 | -2.6 | 108.9 | A14 | R12-A14 PolarHBondContact O-N 3.46Š|
| 13 | P | 67 | Low | 65 | Low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138.5 | 172.1 | 26.5 | -33 | 0 | 0 | 0 | 108.9 | S15 | P13-S15 PolarHBondContact O-N 3.21Š|
| 14 | A | 65.1 | Low | 65.7 | Low | 98 Ų | 98 | 130.5 Ų | 130.5 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 122.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | R12 | R12-A14 PolarHBondContact O-N 3.46Š|
| 15 | S | 60.1 | Low | 66.4 | Low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 132.2 | 175.2 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | P13 S17 | P13-S15 PolarHBondContact O-N 3.21Å; S15-S17 PolarHBondContact O-N 2.99Å |
| 16 | P | 54.4 | Low | 67.1 | Low | 112 Ų | 112 | 123.1 Ų | 123.1 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | -65.1 | 111 | 174.7 | -10.2 | 24.4 | 0 | 0 | 0 | 108.2 | E18 | P16-E18 PolarHBondContact O-N 3.15Š| ||
| 17 | S | 55.8 | Low | 67.9 | Low | 108 Ų | 108 | 118.7 Ų | 118.7 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | trans | -78.6 | 74.9 | 165.6 | 56.9 | 0 | 0 | 0 | 0 | 107.5 | S15 D19 | S15-S17 PolarHBondContact O-N 2.99Å; S17-D19 PolarHBondContact O-N 3.45Å | ||
| 18 | E | 55.1 | Low | 68.8 | Low | 180 Ų | 180 | 117 Ų | 117 | 84% | 0.841 | 68% | 0.68 | S | S | * | * | trans | -76.3 | -6.7 | -177 | -120.5 | -179.9 | 175.9 | 0 | 0 | 113.5 | P16 | P16-E18 PolarHBondContact O-N 3.15Š| ||
| 19 | D | 57.5 | Low | 69.5 | Low | 136 Ų | 136 | 111.8 Ų | 111.8 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -118.1 | 120.2 | 164.6 | -91.6 | -39.7 | 0 | 0 | 0 | 108.8 | S17 S21 | S17-D19 PolarHBondContact O-N 3.45Å; D19-S21 PolarHBondContact O-N 2.92Å |
| 20 | G | 58.7 | Low | 70.4 | Confident | 77 Ų | 77 | 111.9 Ų | 111.9 | 79% | 0.794 | 66% | 0.659 | S | S | * | * | trans | -60.5 | 10.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T22 | G20-T22 PolarHBondContact O-N 3.42Š| ||
| 21 | S | 65.1 | Low | 71.4 | Confident | 80 Ų | 80 | 107.7 Ų | 107.7 | 56% | 0.559 | 64% | 0.635 | S | S | * | * | trans | -87 | 82.4 | 175.2 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | D19 | D19-S21 PolarHBondContact O-N 2.92Š| ||
| 22 | T | 71.1 | Confident | 72 | Confident | 53 Ų | 53 | 104.5 Ų | 104.5 | 33% | 0.325 | 63% | 0.627 | S | S | . | * | trans | -58.2 | 150.6 | 162.2 | 59 | 0 | 0 | 0 | 0 | 109.8 | G20 W24 A25 A44 | G20-T22 PolarHBondContact O-N 3.42Å; T22-W24 PolarHBondContact O-N 3.24Å; T22-A25 VanDerWaalsContact O-CB 3.24Å; T22-A25 WeakPolarHBondContact O-CB 3.3Å; T22-A25 PolarHBondContact O-N 3.43Å; T22-A44 HydrophobicContact CG2-CB 3.63Å; T22-A44 VanDerWaalsContact OG1-CB 3.26Å; T22-A44 WeakPolarHBondContact OG1-CB 3.23Å | ||
| 23 | Q | 79.3 | Confident | 72.9 | Confident | 167 Ų | 167 | 98.9 Ų | 98.9 | 78% | 0.78 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -19.9 | 175.9 | -175.1 | 179.6 | -35.5 | 0 | 0 | 113 | S26 | Q23-S26 PolarHBondContact O-OG 2.94Š|
| 24 | W | 78 | Confident | 74.1 | Confident | 114 Ų | 114 | 100.8 Ų | 100.8 | 43% | 0.432 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -22.8 | 175.5 | -60.4 | 121.9 | 0 | 0 | 0 | 114.5 | T22 S26 A27 F38 L39 M42 | T22-W24 PolarHBondContact O-N 3.24Å; W24-S26 PolarHBondContact O-N 3.39Å; W24-A27 WeakPolarHBondContact O-CB 3.39Å; W24-A27 PolarHBondContact O-N 3.02Å; W24-F38 HydrophobicContact CB-CD1 4.43Å; W24-F38 HydrophobicContact CB-CE1 3.7Å; W24-F38 AromaticContact CD2-CE1 3.81Å; W24-F38 HydrophobicContact CD2-CE1 3.81Å; W24-F38 AromaticContact CD2-CZ 3.8Å; W24-F38 HydrophobicContact CD2-CZ 3.8Å; W24-F38 AromaticContact CE3-CE1 3.53Å; W24-F38 HydrophobicContact CE3-CE1 3.53Å; W24-F38 AromaticContact CE3-CZ 3.39Å; W24-F38 HydrophobicContact CE3-CZ 3.39Å; W24-F38 AromaticContact CG-CE1 3.9Å; W24-F38 HydrophobicContact CG-CE1 3.9Å; W24-F38 HydrophobicContact CG-CZ 4.29Å; W24-F38 HydrophobicContact CZ3-CE1 4.4Å; W24-F38 AromaticContact CZ3-CZ 3.85Å; W24-F38 HydrophobicContact CZ3-CZ 3.85Å; W24-L39 HydrophobicContact CB-CD2 3.88Å; W24-M42 HydrophobicContact CD2-CE 4.39Å; W24-M42 HydrophobicContact CG-CB 4.5Å; W24-M42 HydrophobicContact CG-CG 4.38Å; W24-M42 HydrophobicContact CZ2-CE 3.8Å |
| 25 | A | 75.6 | Confident | 75.3 | Confident | 25 Ų | 25 | 99.2 Ų | 99.2 | 21% | 0.207 | 58% | 0.577 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -24.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T22 K35 L39 | T22-A25 VanDerWaalsContact O-CB 3.24Å; T22-A25 WeakPolarHBondContact O-CB 3.3Å; T22-A25 PolarHBondContact O-N 3.43Å; A25-K35 WeakPolarHBondContact O-CE 3.29Å; A25-K35 PolarHBondContact O-NZ 3.1Å; A25-L39 HydrophobicContact CB-CD2 4.45Å |
| 26 | S | 78.4 | Confident | 76.6 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -1.4 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | Q23 W24 D28 | Q23-S26 PolarHBondContact O-OG 2.94Å; W24-S26 PolarHBondContact O-N 3.39Å; S26-D28 PolarHBondContact O-N 3.05Å |
| 27 | A | 80.9 | Confident | 78.3 | Confident | 32 Ų | 32 | 100.9 Ų | 100.9 | 26% | 0.264 | 56% | 0.562 | S | S | . | * | trans | -72 | 129 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W24 L29 | W24-A27 WeakPolarHBondContact O-CB 3.39Å; W24-A27 PolarHBondContact O-N 3.02Å; A27-L29 HydrophobicContact CB-CG 4.48Å; A27-L29 PolarHBondContact O-N 3.34Å | ||
| 28 | D | 84.2 | Confident | 79.9 | Confident | 151 Ų | 151 | 98.1 Ų | 98.1 | 81% | 0.807 | 54% | 0.536 | S | S | * | . | trans | -82.6 | 107.8 | 174.6 | -175.2 | 9.4 | 0 | 0 | 0 | 110 | S26 G30 | S26-D28 PolarHBondContact O-N 3.05Å; D28-G30 PolarHBondContact OD1-N 3.22Å | ||
| 29 | L | 86.2 | Confident | 81.4 | Confident | 50 Ų | 50 | 90.9 Ų | 90.9 | 26% | 0.262 | 50% | 0.503 | S | S | . | . | trans | -107 | 14.4 | -179.3 | -64 | 173.6 | 0 | 0 | 0 | 111.6 | A27 S31 R34 K35 F38 | A27-L29 HydrophobicContact CB-CG 4.48Å; A27-L29 PolarHBondContact O-N 3.34Å; L29-S31 PolarHBondContact O-N 3.44Å; L29-R34 HydrophobicContact CB-CB 4.46Å; L29-R34 HydrophobicContact CB-CG 4.22Å; L29-R34 VanDerWaalsContact O-CD 3.26Å; L29-R34 WeakPolarHBondContact O-CD 3.46Å; L29-K35 HydrophobicContact CD1-CB 4.45Å; L29-F38 HydrophobicContact CD1-CB 3.46Å; L29-F38 VanDerWaalsContact CD1-CB 3.46Å; L29-F38 HydrophobicContact CD1-CD1 3.39Å; L29-F38 HydrophobicContact CD1-CD2 4.29Å; L29-F38 HydrophobicContact CD1-CE1 4.14Å; L29-F38 HydrophobicContact CD1-CG 3.45Å; L29-F38 VanDerWaalsContact CD1-CG 3.45Å | ||
| 30 | G | 90 | Very high | 82.8 | Confident | 72 Ų | 72 | 92.3 Ų | 92.3 | 74% | 0.742 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 74 | -31 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D28 | D28-G30 PolarHBondContact OD1-N 3.22Š|
| 31 | S | 91.1 | Very high | 84.3 | Confident | 54 Ų | 54 | 95.5 Ų | 95.5 | 38% | 0.378 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -137.4 | 146.7 | 172.8 | 75.8 | 0 | 0 | 0 | 0 | 113.1 | L29 E33 R34 K35 | L29-S31 PolarHBondContact O-N 3.44Å; S31-E33 VanDerWaalsContact C-N 3.3Å; S31-E33 PolarHBondContact O-N 3.5Å; S31-R34 PolarHBondContact O-N 3.17Å; S31-R34 VanDerWaalsContact O-N 3.17Å; S31-R34 VanDerWaalsContact OG-CB 3.26Å; S31-R34 WeakPolarHBondContact OG-CB 3.45Å; S31-R34 PolarHBondContact OG-N 3.12Å; S31-K35 WeakPolarHBondContact O-CB 3.48Å; S31-K35 PolarHBondContact O-N 2.92Å |
| 32 | D | 87.9 | Confident | 85.4 | Confident | 123 Ų | 123 | 95.6 Ų | 95.6 | 66% | 0.658 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -34.5 | 178.7 | -75.5 | -26.2 | 0 | 0 | 0 | 112.4 | K35 Q36 | D32-K35 PolarHBondContact O-N 2.7Å; D32-Q36 WeakPolarHBondContact O-CB 3.07Å; D32-Q36 VanDerWaalsContact O-CG 3.31Å; D32-Q36 WeakPolarHBondContact O-CG 3.17Å; D32-Q36 PolarHBondContact O-N 2.94Å |
| 33 | E | 90.4 | Very high | 85.9 | Confident | 121 Ų | 121 | 96.2 Ų | 96.2 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 174.5 | -167.4 | -166.4 | 158.1 | 0 | 0 | 111.3 | S31 K35 Q36 K37 | S31-E33 VanDerWaalsContact C-N 3.3Å; S31-E33 PolarHBondContact O-N 3.5Å; E33-K35 VanDerWaalsContact C-N 3.34Å; E33-Q36 PolarHBondContact O-N 2.96Å; E33-K37 HydrophobicContact CG-CD 4.42Å; E33-K37 WeakPolarHBondContact O-CB 3.46Å; E33-K37 WeakPolarHBondContact O-CG 3.49Å; E33-K37 PolarHBondContact O-N 3.01Å; E33-K37 VanDerWaalsContact OE1-CE 3.3Å; E33-K37 WeakPolarHBondContact OE1-CE 3.43Å; E33-K37 IonicContact OE1-NZ 2.64Å; E33-K37 PolarHBondContact OE1-NZ 3.32Å |
| 34 | R | 90.8 | Very high | 85.8 | Confident | 162 Ų | 162 | 89.4 Ų | 89.4 | 61% | 0.611 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 176.2 | -170.3 | -177.4 | -57.2 | -150.4 | -3.8 | 110.4 | L29 S31 K37 F38 | L29-R34 HydrophobicContact CB-CB 4.46Å; L29-R34 HydrophobicContact CB-CG 4.22Å; L29-R34 VanDerWaalsContact O-CD 3.26Å; L29-R34 WeakPolarHBondContact O-CD 3.46Å; S31-R34 PolarHBondContact O-N 3.17Å; S31-R34 VanDerWaalsContact O-N 3.17Å; S31-R34 VanDerWaalsContact OG-CB 3.26Å; S31-R34 WeakPolarHBondContact OG-CB 3.45Å; S31-R34 PolarHBondContact OG-N 3.12Å; R34-K37 PolarHBondContact O-N 3.3Å; R34-F38 VanDerWaalsContact O-CB 3.25Å; R34-F38 WeakPolarHBondContact O-CB 3.32Å; R34-F38 PolarHBondContact O-N 3.16Å |
| 35 | K | 90 | Very high | 85.3 | Confident | 65 Ų | 65 | 85.9 Ų | 85.9 | 28% | 0.283 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 176 | -174.9 | 179.6 | -179.2 | 173.7 | 0 | 112.2 | A25 L29 S31 D32 E33 F38 L39 | A25-K35 WeakPolarHBondContact O-CE 3.29Å; A25-K35 PolarHBondContact O-NZ 3.1Å; L29-K35 HydrophobicContact CD1-CB 4.45Å; S31-K35 WeakPolarHBondContact O-CB 3.48Å; S31-K35 PolarHBondContact O-N 2.92Å; D32-K35 PolarHBondContact O-N 2.7Å; E33-K35 VanDerWaalsContact C-N 3.34Å; K35-F38 PolarHBondContact O-N 2.77Å; K35-L39 HydrophobicContact CG-CD1 4.08Å; K35-L39 HydrophobicContact CG-CG 4.5Å; K35-L39 WeakPolarHBondContact O-CB 3.5Å; K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.39Å; K35-L39 PolarHBondContact O-N 3.05Å |
| 36 | Q | 87.9 | Confident | 85 | Confident | 124 Ų | 124 | 92.8 Ų | 92.8 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 178.1 | -74.3 | -176.6 | -1.3 | 0 | 0 | 112.5 | D32 E33 F38 L39 R40 | D32-Q36 WeakPolarHBondContact O-CB 3.07Å; D32-Q36 VanDerWaalsContact O-CG 3.31Å; D32-Q36 WeakPolarHBondContact O-CG 3.17Å; D32-Q36 PolarHBondContact O-N 2.94Å; E33-Q36 PolarHBondContact O-N 2.96Å; Q36-F38 VanDerWaalsContact C-N 3.31Å; Q36-F38 PolarHBondContact O-N 3.26Å; Q36-L39 PolarHBondContact O-N 2.83Å; Q36-R40 VanDerWaalsContact O-CB 3.26Å; Q36-R40 WeakPolarHBondContact O-CB 3.39Å; Q36-R40 PolarHBondContact O-N 2.78Å |
| 37 | K | 90.8 | Very high | 84.5 | Confident | 127 Ų | 127 | 94.9 Ų | 94.9 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 173.8 | -77.4 | 174.4 | 171.1 | 169.3 | 0 | 111.2 | E33 R34 R40 L41 | E33-K37 HydrophobicContact CG-CD 4.42Å; E33-K37 WeakPolarHBondContact O-CB 3.46Å; E33-K37 WeakPolarHBondContact O-CG 3.49Å; E33-K37 PolarHBondContact O-N 3.01Å; E33-K37 VanDerWaalsContact OE1-CE 3.3Å; E33-K37 WeakPolarHBondContact OE1-CE 3.43Å; E33-K37 IonicContact OE1-NZ 2.64Å; E33-K37 PolarHBondContact OE1-NZ 3.32Å; R34-K37 PolarHBondContact O-N 3.3Å; K37-R40 PolarHBondContact O-N 3.2Å; K37-L41 WeakPolarHBondContact O-CB 3.45Å; K37-L41 PolarHBondContact O-N 2.97Å |
| 38 | F | 89.3 | Confident | 83.8 | Confident | 50 Ų | 50 | 99.5 Ų | 99.5 | 22% | 0.219 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -64.7 | -49.6 | 176.8 | 177.8 | -105.3 | 0 | 0 | 0 | 112.4 | W24 L29 R34 K35 Q36 R40 L41 M42 | W24-F38 HydrophobicContact CB-CD1 4.43Å; W24-F38 HydrophobicContact CB-CE1 3.7Å; W24-F38 AromaticContact CD2-CE1 3.81Å; W24-F38 HydrophobicContact CD2-CE1 3.81Å; W24-F38 AromaticContact CD2-CZ 3.8Å; W24-F38 HydrophobicContact CD2-CZ 3.8Å; W24-F38 AromaticContact CE3-CE1 3.53Å; W24-F38 HydrophobicContact CE3-CE1 3.53Å; W24-F38 AromaticContact CE3-CZ 3.39Å; W24-F38 HydrophobicContact CE3-CZ 3.39Å; W24-F38 AromaticContact CG-CE1 3.9Å; W24-F38 HydrophobicContact CG-CE1 3.9Å; W24-F38 HydrophobicContact CG-CZ 4.29Å; W24-F38 HydrophobicContact CZ3-CE1 4.4Å; W24-F38 AromaticContact CZ3-CZ 3.85Å; W24-F38 HydrophobicContact CZ3-CZ 3.85Å; L29-F38 HydrophobicContact CD1-CB 3.46Å; L29-F38 VanDerWaalsContact CD1-CB 3.46Å; L29-F38 HydrophobicContact CD1-CD1 3.39Å; L29-F38 HydrophobicContact CD1-CD2 4.29Å; L29-F38 HydrophobicContact CD1-CE1 4.14Å; L29-F38 HydrophobicContact CD1-CG 3.45Å; L29-F38 VanDerWaalsContact CD1-CG 3.45Å; R34-F38 VanDerWaalsContact O-CB 3.25Å; R34-F38 WeakPolarHBondContact O-CB 3.32Å; R34-F38 PolarHBondContact O-N 3.16Å; K35-F38 PolarHBondContact O-N 2.77Å; Q36-F38 VanDerWaalsContact C-N 3.31Å; Q36-F38 PolarHBondContact O-N 3.26Å; F38-R40 PolarHBondContact O-N 2.88Å; F38-L41 WeakPolarHBondContact O-CB 3.23Å; F38-L41 PolarHBondContact O-N 2.78Å; F38-M42 HydrophobicContact CD1-CG 4.23Å; F38-M42 HydrophobicContact CD2-CG 4.08Å; F38-M42 HydrophobicContact CE1-CG 3.88Å; F38-M42 HydrophobicContact CE2-CG 3.67Å; F38-M42 HydrophobicContact CE2-SD 4.03Å; F38-M42 HydrophobicContact CG-CG 4.34Å; F38-M42 HydrophobicContact CZ-CG 3.57Å; F38-M42 HydrophobicContact CZ-SD 4.2Å; F38-M42 WeakPolarHBondContact O-CG 3.47Å; F38-M42 PolarHBondContact O-N 2.94Å |
| 39 | L | 87.3 | Confident | 82.5 | Confident | 28 Ų | 28 | 97.5 Ų | 97.5 | 15% | 0.147 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -59.3 | -37.4 | 175.9 | -71.6 | 171.7 | 0 | 0 | 0 | 111.4 | W24 A25 K35 Q36 M42 G43 A44 S45 | W24-L39 HydrophobicContact CB-CD2 3.88Å; A25-L39 HydrophobicContact CB-CD2 4.45Å; K35-L39 HydrophobicContact CG-CD1 4.08Å; K35-L39 HydrophobicContact CG-CG 4.5Å; K35-L39 WeakPolarHBondContact O-CB 3.5Å; K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.39Å; K35-L39 PolarHBondContact O-N 3.05Å; Q36-L39 PolarHBondContact O-N 2.83Å; L39-M42 PolarHBondContact O-N 3.22Å; L39-G43 PolarHBondContact O-N 2.91Å; L39-A44 HydrophobicContact CB-CB 4.27Å; L39-A44 HydrophobicContact CD2-CB 3.66Å; L39-A44 CarbonylContact O-C 3.48Å; L39-A44 WeakPolarHBondContact O-CA 3.42Å; L39-A44 PolarHBondContact O-N 3.06Å; L39-S45 PolarHBondContact O-N 3.05Å |
| 40 | R | 86.9 | Confident | 81 | Confident | 166 Ų | 166 | 101.8 Ų | 101.8 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -41.7 | 173.8 | -174.8 | 177 | -63.9 | 174.6 | 3 | 112.9 | Q36 K37 F38 G43 S45 | Q36-R40 VanDerWaalsContact O-CB 3.26Å; Q36-R40 WeakPolarHBondContact O-CB 3.39Å; Q36-R40 PolarHBondContact O-N 2.78Å; K37-R40 PolarHBondContact O-N 3.2Å; F38-R40 PolarHBondContact O-N 2.88Å; R40-G43 PolarHBondContact O-N 3.34Å; R40-S45 VanDerWaalsContact CA-OG 3.25Å; R40-S45 WeakPolarHBondContact CA-OG 3.47Å |
| 41 | L | 89.2 | Confident | 80 | Confident | 145 Ų | 145 | 100.9 Ų | 100.9 | 76% | 0.759 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.3 | -40.5 | 176 | -175.7 | 64.3 | 0 | 0 | 0 | 112.1 | K37 F38 G43 | K37-L41 WeakPolarHBondContact O-CB 3.45Å; K37-L41 PolarHBondContact O-N 2.97Å; F38-L41 WeakPolarHBondContact O-CB 3.23Å; F38-L41 PolarHBondContact O-N 2.78Å; L41-G43 PolarHBondContact O-N 2.68Å |
| 42 | M | 87.8 | Confident | 79.2 | Confident | 82 Ų | 82 | 109.1 Ų | 109.1 | 40% | 0.404 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 5.2 | 179.6 | -63.3 | -52 | -66.6 | 0 | 0 | 113.6 | W24 F38 L39 A44 | W24-M42 HydrophobicContact CD2-CE 4.39Å; W24-M42 HydrophobicContact CG-CB 4.5Å; W24-M42 HydrophobicContact CG-CG 4.38Å; W24-M42 HydrophobicContact CZ2-CE 3.8Å; F38-M42 HydrophobicContact CD1-CG 4.23Å; F38-M42 HydrophobicContact CD2-CG 4.08Å; F38-M42 HydrophobicContact CE1-CG 3.88Å; F38-M42 HydrophobicContact CE2-CG 3.67Å; F38-M42 HydrophobicContact CE2-SD 4.03Å; F38-M42 HydrophobicContact CG-CG 4.34Å; F38-M42 HydrophobicContact CZ-CG 3.57Å; F38-M42 HydrophobicContact CZ-SD 4.2Å; F38-M42 WeakPolarHBondContact O-CG 3.47Å; F38-M42 PolarHBondContact O-N 2.94Å; L39-M42 PolarHBondContact O-N 3.22Å; M42-A44 PolarHBondContact O-N 3.24Å; M42-A44 VanDerWaalsContact O-N 3.16Å |
| 43 | G | 81.4 | Confident | 78.2 | Confident | 66 Ų | 66 | 108.4 Ų | 108.4 | 68% | 0.68 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 8.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L39 R40 L41 | L39-G43 PolarHBondContact O-N 2.91Å; R40-G43 PolarHBondContact O-N 3.34Å; L41-G43 PolarHBondContact O-N 2.68Å |
| 44 | A | 76.8 | Confident | 77.1 | Confident | 23 Ų | 23 | 105.7 Ų | 105.7 | 19% | 0.19 | 52% | 0.524 | C | S | . | . | trans | -88.4 | -9.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | T22 L39 M42 K46 | T22-A44 HydrophobicContact CG2-CB 3.63Å; T22-A44 VanDerWaalsContact OG1-CB 3.26Å; T22-A44 WeakPolarHBondContact OG1-CB 3.23Å; L39-A44 HydrophobicContact CB-CB 4.27Å; L39-A44 HydrophobicContact CD2-CB 3.66Å; L39-A44 CarbonylContact O-C 3.48Å; L39-A44 WeakPolarHBondContact O-CA 3.42Å; L39-A44 PolarHBondContact O-N 3.06Å; M42-A44 PolarHBondContact O-N 3.24Å; M42-A44 VanDerWaalsContact O-N 3.16Å; A44-K46 PolarHBondContact O-N 3Å | ||
| 45 | S | 69.1 | Low | 76 | Confident | 40 Ų | 40 | 105.4 Ų | 105.4 | 28% | 0.28 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -75.3 | 113.7 | 169.3 | 76.4 | 0 | 0 | 0 | 0 | 108.9 | L39 R40 K47 | L39-S45 PolarHBondContact O-N 3.05Å; R40-S45 VanDerWaalsContact CA-OG 3.25Å; R40-S45 WeakPolarHBondContact CA-OG 3.47Å; S45-K47 PolarHBondContact O-N 2.89Å |
| 46 | K | 68.4 | Low | 74.9 | Confident | 171 Ų | 171 | 105.7 Ų | 105.7 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | trans | -68.6 | 78.9 | 165.6 | -161.3 | -169.2 | 74.3 | 161.3 | 0 | 108.4 | A44 E48 | A44-K46 PolarHBondContact O-N 3Å; K46-E48 WeakPolarHBondContact CE-OE1 3.33Å; K46-E48 IonicContact NZ-OE1 2.78Å; K46-E48 PolarHBondContact NZ-OE1 3.19Å; K46-E48 PolarHBondContact O-N 3.47Å; K46-E48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | K | 68.3 | Low | 73.6 | Confident | 141 Ų | 141 | 105.5 Ų | 105.5 | 61% | 0.613 | 56% | 0.557 | S | S | * | * | trans | -73 | 102.6 | 164.9 | -178.1 | 173.9 | 172 | -174.5 | 0 | 105.3 | S45 H49 | S45-K47 PolarHBondContact O-N 2.89Å; K47-H49 VanDerWaalsContact C-N 3.33Å; K47-H49 PolarHBondContact O-CD2 2.94Å; K47-H49 PolarHBondContact O-N 3.02Å | ||
| 48 | E | 66.1 | Low | 72.1 | Confident | 129 Ų | 129 | 105 Ų | 105 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | trans | -59.6 | 105.5 | 167.3 | -40.6 | -159.6 | 171.3 | 0 | 0 | 105 | K46 T50 | K46-E48 WeakPolarHBondContact CE-OE1 3.33Å; K46-E48 IonicContact NZ-OE1 2.78Å; K46-E48 PolarHBondContact NZ-OE1 3.19Å; K46-E48 PolarHBondContact O-N 3.47Å; K46-E48 VanDerWaalsContact O-N 3.15Å; E48-T50 PolarHBondContact O-N 3.08Å | ||
| 49 | H | 56.4 | Low | 70.7 | Confident | 108 Ų | 108 | 111.7 Ų | 111.7 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | trans | -70.8 | 82.2 | 169.6 | -68.7 | -87.8 | 0 | 0 | 0 | 105.6 | K47 G51 | K47-H49 VanDerWaalsContact C-N 3.33Å; K47-H49 PolarHBondContact O-CD2 2.94Å; K47-H49 PolarHBondContact O-N 3.02Å; H49-G51 PolarHBondContact O-N 3.31Å | ||
| 50 | T | 54.4 | Low | 69.3 | Low | 141 Ų | 141 | 115.9 Ų | 115.9 | 87% | 0.865 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -66 | 83.2 | 165.2 | -51.6 | 0 | 0 | 0 | 0 | 106.2 | E48 | E48-T50 PolarHBondContact O-N 3.08Š|
| 51 | G | 69.8 | Low | 67.9 | Low | 52 Ų | 52 | 113.6 Ų | 113.6 | 54% | 0.536 | 62% | 0.622 | S | S | . | * | S | Bend | trans | 141.2 | 128.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H49 L53 | H49-G51 PolarHBondContact O-N 3.31Å; G51-L53 PolarHBondContact O-N 3.05Å |
| 52 | R | 74.4 | Confident | 66.7 | Low | 228 Ų | 228 | 110.5 Ų | 110.5 | 86% | 0.86 | 61% | 0.612 | S | S | * | * | trans | -57.8 | 118.2 | 169.8 | -179.2 | -179.6 | 178.9 | -173.8 | -1.9 | 108.2 | V54 | R52-V54 HydrophobicContact CG-CG2 4.38Å; R52-V54 PolarHBondContact O-N 3.08Å | ||
| 53 | L | 67.1 | Low | 65.8 | Low | 108 Ų | 108 | 114.4 Ų | 114.4 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | trans | -64.1 | 104.2 | 166.7 | -67.4 | 174.8 | 0 | 0 | 0 | 107.3 | G51 I55 | G51-L53 PolarHBondContact O-N 3.05Å; L53-I55 VanDerWaalsContact C-N 3.35Å; L53-I55 HydrophobicContact CB-CD1 4.45Å; L53-I55 HydrophobicContact CB-CG1 4.32Å; L53-I55 PolarHBondContact O-N 2.92Å; L53-I55 VanDerWaalsContact O-N 3.15Å | ||
| 54 | V | 66.2 | Low | 65.2 | Low | 63 Ų | 63 | 118.9 Ų | 118.9 | 38% | 0.382 | 63% | 0.63 | S | S | . | * | trans | -82.6 | 86.6 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | R52 D57 | R52-V54 HydrophobicContact CG-CG2 4.38Å; R52-V54 PolarHBondContact O-N 3.08Å; V54-D57 HydrophobicContact CG1-CB 3.78Å; V54-D57 VanDerWaalsContact CG1-CG 3.44Å; V54-D57 VanDerWaalsContact CG1-OD2 3.3Å; V54-D57 WeakPolarHBondContact CG1-OD2 3.32Å | ||
| 55 | I | 69.4 | Low | 65.3 | Low | 156 Ų | 156 | 121.2 Ų | 121.2 | 80% | 0.8 | 63% | 0.634 | S | S | * | * | trans | -89.7 | 100.2 | 172 | -58.8 | 166.8 | 0 | 0 | 0 | 106.2 | L53 | L53-I55 VanDerWaalsContact C-N 3.35Å; L53-I55 HydrophobicContact CB-CD1 4.45Å; L53-I55 HydrophobicContact CB-CG1 4.32Å; L53-I55 PolarHBondContact O-N 2.92Å; L53-I55 VanDerWaalsContact O-N 3.15Å | ||
| 56 | G | 66.7 | Low | 65.8 | Low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 151.1 | -19.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 57 | D | 60.5 | Low | 66.6 | Low | 120 Ų | 120 | 115.5 Ų | 115.5 | 64% | 0.642 | 62% | 0.623 | S | S | * | * | trans | -117.7 | -6.7 | -156.3 | -49.3 | 6.9 | 0 | 0 | 0 | 112.9 | V54 K59 | V54-D57 HydrophobicContact CG1-CB 3.78Å; V54-D57 VanDerWaalsContact CG1-CG 3.44Å; V54-D57 VanDerWaalsContact CG1-OD2 3.3Å; V54-D57 WeakPolarHBondContact CG1-OD2 3.32Å; D57-K59 PolarHBondContact O-N 3.39Å | ||
| 58 | H | 58.7 | Low | 67.6 | Low | 117 Ų | 117 | 114.7 Ų | 114.7 | 54% | 0.542 | 62% | 0.622 | S | S | . | * | trans | -92 | 104.7 | 178.2 | -62.4 | -65.2 | 0 | 0 | 0 | 110.4 | S60 T61 | H58-S60 PolarHBondContact O-N 2.96Å; H58-T61 HydrophobicContact CB-CG2 4.02Å; H58-T61 PolarHBondContact O-N 3.32Å | ||
| 59 | K | 60.3 | Low | 68.6 | Low | 190 Ų | 190 | 113.4 Ų | 113.4 | 83% | 0.826 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -4.8 | 167.4 | -49.4 | -167.9 | -173.8 | -169.6 | 0 | 113.7 | D57 | D57-K59 PolarHBondContact O-N 3.39Š|
| 60 | S | 56.9 | Low | 70.2 | Confident | 117 Ų | 117 | 111.6 Ų | 111.6 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -5.3 | -177.8 | -57.6 | 0 | 0 | 0 | 0 | 115.1 | H58 | H58-S60 PolarHBondContact O-N 2.96Š|
| 61 | T | 59.1 | Low | 72.1 | Confident | 118 Ų | 118 | 111.9 Ų | 111.9 | 72% | 0.724 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -15.6 | -178.7 | 71 | 0 | 0 | 0 | 0 | 114.1 | H58 | H58-T61 HydrophobicContact CB-CG2 4.02Å; H58-T61 PolarHBondContact O-N 3.32Å |
| 62 | S | 62.2 | Low | 73.3 | Confident | 79 Ų | 79 | 116.9 Ų | 116.9 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -76.7 | 138.3 | 164.9 | 105.3 | 0 | 0 | 0 | 0 | 106.6 | F64 | S62-F64 PolarHBondContact O-N 3.46Š|
| 63 | H | 69.2 | Low | 74.2 | Confident | 165 Ų | 165 | 110.1 Ų | 110.1 | 76% | 0.764 | 58% | 0.581 | S | S | * | * | trans | -61.4 | 86.2 | 173.9 | -178.5 | 60.3 | 0 | 0 | 0 | 107.8 | R65 | H63-R65 PolarHBondContact O-N 2.88Š| ||
| 64 | F | 70.3 | Confident | 75.5 | Confident | 159 Ų | 159 | 109.7 Ų | 109.7 | 70% | 0.697 | 58% | 0.579 | S | S | * | * | trans | -73.4 | 103.6 | -178.5 | -177.7 | -98.5 | 0 | 0 | 0 | 106.4 | S62 | S62-F64 PolarHBondContact O-N 3.46Š| ||
| 65 | R | 77.3 | Confident | 77 | Confident | 72 Ų | 72 | 111.2 Ų | 111.2 | 27% | 0.272 | 59% | 0.585 | S | S | . | * | trans | -74.7 | 134.4 | 172.2 | -61.7 | 179.3 | 62.3 | -161.7 | -12.6 | 107.2 | H63 E69 D70 M73 | H63-R65 PolarHBondContact O-N 2.88Å; R65-E69 PolarHBondContact NH2-O 2.95Å; R65-D70 WeakPolarHBondContact CB-OD1 3.42Å; R65-D70 WeakPolarHBondContact CD-OD1 3.26Å; R65-D70 IonicContact CZ-OD1 3.01Å; R65-D70 IonicContact NE-OD1 3.05Å; R65-D70 PolarHBondContact NE-OD1 3.35Å; R65-D70 IonicContact NH1-OD1 3.55Å; R65-D70 IonicContact NH2-OD1 3.24Å; R65-D70 PolarHBondContact NH2-OD1 2.9Å; R65-M73 PolarHBondContact NH1-SD 3Å; R65-M73 PolarHBondContact NH2-SD 3.41Å | ||
| 66 | S | 80.7 | Confident | 78.2 | Confident | 45 Ų | 45 | 109.8 Ų | 109.8 | 32% | 0.315 | 58% | 0.575 | S | S | . | * | trans | -66.6 | 144.4 | 174.2 | 63.8 | 0 | 0 | 0 | 0 | 108.9 | Q68 E69 D70 | S66-Q68 PolarHBondContact O-N 3.47Å; S66-E69 PolarHBondContact N-OE2 2.97Å; S66-E69 WeakPolarHBondContact O-CA 3.36Å; S66-E69 WeakPolarHBondContact O-CB 3.1Å; S66-E69 PolarHBondContact O-N 3.41Å; S66-E69 WeakPolarHBondContact OG-CB 3.18Å; S66-E69 WeakPolarHBondContact OG-CG 3.47Å; S66-E69 PolarHBondContact OG-N 2.77Å; S66-E69 PolarHBondContact OG-OE2 2.96Å; S66-D70 PolarHBondContact O-N 2.99Å | ||
| 67 | G | 85.3 | Confident | 79.7 | Confident | 47 Ų | 47 | 110.8 Ų | 110.8 | 49% | 0.485 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.9 | -19.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K71 | G67-K71 VanDerWaalsContact O-CG 3.23Å; G67-K71 WeakPolarHBondContact O-CG 3.24Å; G67-K71 PolarHBondContact O-N 3.47Å |
| 68 | Q | 87.8 | Confident | 81.4 | Confident | 124 Ų | 124 | 111.1 Ų | 111.1 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -75.8 | -40.1 | 171.8 | -169.4 | 178.6 | 37.1 | 0 | 0 | 112.5 | S66 D70 K71 R72 | S66-Q68 PolarHBondContact O-N 3.47Å; Q68-D70 VanDerWaalsContact C-N 3.31Å; Q68-K71 PolarHBondContact O-N 3.13Å; Q68-R72 WeakPolarHBondContact O-CG 3.25Å; Q68-R72 PolarHBondContact O-N 2.89Å |
| 69 | E | 88.9 | Confident | 83.1 | Confident | 101 Ų | 101 | 111.2 Ų | 111.2 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.2 | -34.4 | 173.4 | -74 | 163.8 | 151.2 | 0 | 0 | 111.8 | R65 S66 M73 | R65-E69 PolarHBondContact NH2-O 2.95Å; S66-E69 PolarHBondContact N-OE2 2.97Å; S66-E69 WeakPolarHBondContact O-CA 3.36Å; S66-E69 WeakPolarHBondContact O-CB 3.1Å; S66-E69 PolarHBondContact O-N 3.41Å; S66-E69 WeakPolarHBondContact OG-CB 3.18Å; S66-E69 WeakPolarHBondContact OG-CG 3.47Å; S66-E69 PolarHBondContact OG-N 2.77Å; S66-E69 PolarHBondContact OG-OE2 2.96Å; E69-M73 WeakPolarHBondContact O-CB 3.26Å; E69-M73 PolarHBondContact O-N 2.86Å |
| 70 | D | 89.8 | Confident | 84.8 | Confident | 70 Ų | 70 | 108 Ų | 108 | 37% | 0.374 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.1 | -44 | 175.1 | -73.9 | -15.8 | 0 | 0 | 0 | 111.5 | R65 S66 Q68 M73 N74 | R65-D70 WeakPolarHBondContact CB-OD1 3.42Å; R65-D70 WeakPolarHBondContact CD-OD1 3.26Å; R65-D70 IonicContact CZ-OD1 3.01Å; R65-D70 IonicContact NE-OD1 3.05Å; R65-D70 PolarHBondContact NE-OD1 3.35Å; R65-D70 IonicContact NH1-OD1 3.55Å; R65-D70 IonicContact NH2-OD1 3.24Å; R65-D70 PolarHBondContact NH2-OD1 2.9Å; S66-D70 PolarHBondContact O-N 2.99Å; Q68-D70 VanDerWaalsContact C-N 3.31Å; D70-M73 PolarHBondContact O-N 3.3Å; D70-N74 WeakPolarHBondContact O-CB 3.3Å; D70-N74 PolarHBondContact O-N 3.15Å |
| 71 | K | 93.9 | Very high | 86.5 | Confident | 147 Ų | 147 | 109.1 Ų | 109.1 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.8 | -51.1 | 173.3 | -74.3 | 173.1 | -177 | -170.6 | 0 | 111.6 | G67 Q68 M73 N74 D75 | G67-K71 VanDerWaalsContact O-CG 3.23Å; G67-K71 WeakPolarHBondContact O-CG 3.24Å; G67-K71 PolarHBondContact O-N 3.47Å; Q68-K71 PolarHBondContact O-N 3.13Å; K71-M73 VanDerWaalsContact C-N 3.31Å; K71-M73 PolarHBondContact O-N 3.44Å; K71-N74 WeakPolarHBondContact O-CB 3.44Å; K71-N74 PolarHBondContact O-N 2.8Å; K71-N74 VanDerWaalsContact O-N 3.08Å; K71-D75 PolarHBondContact O-N 2.91Å |
| 72 | R | 94.4 | Very high | 88.2 | Confident | 158 Ų | 158 | 108.4 Ų | 108.4 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.4 | -42.3 | 179 | -74.3 | 179.8 | -176.6 | 177.8 | 4 | 112.8 | Q68 N74 D75 E76 | Q68-R72 WeakPolarHBondContact O-CG 3.25Å; Q68-R72 PolarHBondContact O-N 2.89Å; R72-N74 VanDerWaalsContact C-N 3.34Å; R72-D75 PolarHBondContact O-N 2.81Å; R72-E76 WeakPolarHBondContact O-CB 3.34Å; R72-E76 PolarHBondContact O-N 3.47Å |
| 73 | M | 93.6 | Very high | 89.5 | Confident | 85 Ų | 85 | 111 Ų | 111 | 42% | 0.419 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 177.7 | -175.4 | 179.7 | -73.3 | 0 | 0 | 111.5 | R65 E69 D70 K71 E76 L77 | R65-M73 PolarHBondContact NH1-SD 3Å; R65-M73 PolarHBondContact NH2-SD 3.41Å; E69-M73 WeakPolarHBondContact O-CB 3.26Å; E69-M73 PolarHBondContact O-N 2.86Å; D70-M73 PolarHBondContact O-N 3.3Å; K71-M73 VanDerWaalsContact C-N 3.31Å; K71-M73 PolarHBondContact O-N 3.44Å; M73-E76 PolarHBondContact O-N 2.83Å; M73-L77 HydrophobicContact CG-CD1 4.12Å; M73-L77 HydrophobicContact CG-CG 4.44Å; M73-L77 WeakPolarHBondContact O-CB 3.44Å; M73-L77 VanDerWaalsContact O-CG 3.23Å; M73-L77 WeakPolarHBondContact O-CG 3.34Å; M73-L77 PolarHBondContact O-N 3.28Å |
| 74 | N | 95.3 | Very high | 90.2 | Very high | 100 Ų | 100 | 105.5 Ų | 105.5 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.3 | -167.4 | 46.7 | 0 | 0 | 0 | 111.4 | D70 K71 R72 E76 L77 E78 | D70-N74 WeakPolarHBondContact O-CB 3.3Å; D70-N74 PolarHBondContact O-N 3.15Å; K71-N74 WeakPolarHBondContact O-CB 3.44Å; K71-N74 PolarHBondContact O-N 2.8Å; K71-N74 VanDerWaalsContact O-N 3.08Å; R72-N74 VanDerWaalsContact C-N 3.34Å; N74-E76 VanDerWaalsContact C-N 3.33Å; N74-E76 PolarHBondContact O-N 3.28Å; N74-L77 PolarHBondContact O-N 3.26Å; N74-E78 PolarHBondContact O-N 3.27Å |
| 75 | D | 96.2 | Very high | 90.9 | Very high | 95 Ų | 95 | 100.9 Ų | 100.9 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.1 | -58.9 | -18.2 | 0 | 0 | 0 | 111.2 | K71 R72 E78 M79 | K71-D75 PolarHBondContact O-N 2.91Å; R72-D75 PolarHBondContact O-N 2.81Å; D75-E78 PolarHBondContact O-N 2.79Å; D75-M79 WeakPolarHBondContact O-CB 3.44Å; D75-M79 PolarHBondContact O-N 3.16Å |
| 76 | E | 96.1 | Very high | 91.1 | Very high | 125 Ų | 125 | 101.7 Ų | 101.7 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -41 | 176.2 | -175.3 | 174.3 | -172.9 | 0 | 0 | 112.2 | R72 M73 N74 M79 Q80 | R72-E76 WeakPolarHBondContact O-CB 3.34Å; R72-E76 PolarHBondContact O-N 3.47Å; M73-E76 PolarHBondContact O-N 2.83Å; N74-E76 VanDerWaalsContact C-N 3.33Å; N74-E76 PolarHBondContact O-N 3.28Å; E76-M79 HydrophobicContact CG-CE 4.36Å; E76-M79 PolarHBondContact O-N 3.24Å; E76-Q80 PolarHBondContact O-N 3.4Å |
| 77 | L | 96.8 | Very high | 90.7 | Very high | 93 Ų | 93 | 100.8 Ų | 100.8 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.6 | -75.5 | 169.4 | 0 | 0 | 0 | 111.7 | M73 N74 Q80 Y81 | M73-L77 HydrophobicContact CG-CD1 4.12Å; M73-L77 HydrophobicContact CG-CG 4.44Å; M73-L77 WeakPolarHBondContact O-CB 3.44Å; M73-L77 VanDerWaalsContact O-CG 3.23Å; M73-L77 WeakPolarHBondContact O-CG 3.34Å; M73-L77 PolarHBondContact O-N 3.28Å; N74-L77 PolarHBondContact O-N 3.26Å; L77-Q80 PolarHBondContact O-N 2.74Å; L77-Y81 PolarHBondContact O-N 2.67Å |
| 78 | E | 95.9 | Very high | 89.8 | Confident | 127 Ų | 127 | 103.6 Ų | 103.6 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -42.3 | 177.3 | -174.9 | 164.2 | -141.2 | 0 | 0 | 111.5 | N74 D75 Q80 Y81 Q82 | N74-E78 PolarHBondContact O-N 3.27Å; D75-E78 PolarHBondContact O-N 2.79Å; E78-Q80 VanDerWaalsContact C-N 3.34Å; E78-Q80 PolarHBondContact O-N 2.88Å; E78-Y81 WeakPolarHBondContact O-CB 3.49Å; E78-Y81 PolarHBondContact O-N 2.83Å; E78-Q82 PolarHBondContact O-N 3.38Å |
| 79 | M | 95.8 | Very high | 88.7 | Confident | 118 Ų | 118 | 104.6 Ų | 104.6 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60 | -44.1 | 173.8 | -178.8 | -174.3 | 61.5 | 0 | 0 | 111.6 | D75 E76 Y81 Q82 Q83 | D75-M79 WeakPolarHBondContact O-CB 3.44Å; D75-M79 PolarHBondContact O-N 3.16Å; E76-M79 HydrophobicContact CG-CE 4.36Å; E76-M79 PolarHBondContact O-N 3.24Å; M79-Y81 VanDerWaalsContact C-N 3.32Å; M79-Y81 PolarHBondContact O-N 3.09Å; M79-Q82 PolarHBondContact O-N 3.29Å; M79-Q83 WeakPolarHBondContact O-CB 3.31Å; M79-Q83 PolarHBondContact O-N 2.82Å |
| 80 | Q | 95.5 | Very high | 87.6 | Confident | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 177 | -174.8 | -177.5 | 4.4 | 0 | 0 | 111.6 | E76 L77 E78 S84 | E76-Q80 PolarHBondContact O-N 3.4Å; L77-Q80 PolarHBondContact O-N 2.74Å; E78-Q80 VanDerWaalsContact C-N 3.34Å; E78-Q80 PolarHBondContact O-N 2.88Å; Q80-S84 WeakPolarHBondContact O-CB 3.48Å; Q80-S84 PolarHBondContact O-N 2.86Å |
| 81 | Y | 93.4 | Very high | 86.3 | Confident | 141 Ų | 141 | 102 Ų | 102 | 55% | 0.553 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.5 | -50.9 | 175.5 | 171.1 | -101.4 | 0 | 0 | 0 | 110.9 | L77 E78 M79 Q83 S84 M85 | L77-Y81 PolarHBondContact O-N 2.67Å; E78-Y81 WeakPolarHBondContact O-CB 3.49Å; E78-Y81 PolarHBondContact O-N 2.83Å; M79-Y81 VanDerWaalsContact C-N 3.32Å; M79-Y81 PolarHBondContact O-N 3.09Å; Y81-Q83 PolarHBondContact O-N 3.49Å; Y81-S84 PolarHBondContact O-N 2.9Å; Y81-S84 VanDerWaalsContact O-N 3.16Å; Y81-S84 PolarHBondContact O-OG 3.36Å; Y81-M85 HydrophobicContact CD1-CG 4.49Å; Y81-M85 HydrophobicContact CD2-CG 4.43Å; Y81-M85 HydrophobicContact CE1-CG 4.04Å; Y81-M85 HydrophobicContact CE2-CE 4.16Å; Y81-M85 HydrophobicContact CE2-CG 3.97Å; Y81-M85 HydrophobicContact CE2-SD 4.24Å; Y81-M85 WeakPolarHBondContact O-CG 3.25Å; Y81-M85 PolarHBondContact O-N 3.26Å |
| 82 | Q | 92.8 | Very high | 85.1 | Confident | 103 Ų | 103 | 103.1 Ų | 103.1 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 179.8 | -169.7 | 59.8 | 39.6 | 0 | 0 | 111.7 | E78 M79 S84 M85 D86 | E78-Q82 PolarHBondContact O-N 3.38Å; M79-Q82 PolarHBondContact O-N 3.29Å; Q82-S84 VanDerWaalsContact C-N 3.27Å; Q82-S84 PolarHBondContact O-N 3.44Å; Q82-M85 WeakPolarHBondContact O-CB 3.37Å; Q82-M85 PolarHBondContact O-N 3.2Å; Q82-M85 VanDerWaalsContact O-N 3.1Å; Q82-D86 PolarHBondContact NE2-OD1 3.47Å; Q82-D86 PolarHBondContact O-N 3.16Å |
| 83 | Q | 89.6 | Confident | 83.4 | Confident | 133 Ų | 133 | 100.2 Ų | 100.2 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.4 | -40.9 | 175.6 | -175.7 | -175.6 | 6.3 | 0 | 0 | 111.9 | M79 Y81 D86 G87 | M79-Q83 WeakPolarHBondContact O-CB 3.31Å; M79-Q83 PolarHBondContact O-N 2.82Å; Y81-Q83 PolarHBondContact O-N 3.49Å; Q83-D86 PolarHBondContact O-N 3.44Å; Q83-G87 PolarHBondContact O-N 3.06Å; Q83-G87 VanDerWaalsContact O-N 3.13Å |
| 84 | S | 83.9 | Confident | 82 | Confident | 51 Ų | 51 | 105.7 Ų | 105.7 | 36% | 0.357 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.7 | 81.3 | 0 | 0 | 0 | 0 | 111.5 | Q80 Y81 Q82 G87 K88 | Q80-S84 WeakPolarHBondContact O-CB 3.48Å; Q80-S84 PolarHBondContact O-N 2.86Å; Y81-S84 PolarHBondContact O-N 2.9Å; Y81-S84 VanDerWaalsContact O-N 3.16Å; Y81-S84 PolarHBondContact O-OG 3.36Å; Q82-S84 VanDerWaalsContact C-N 3.27Å; Q82-S84 PolarHBondContact O-N 3.44Å; S84-G87 PolarHBondContact O-N 2.91Å; S84-K88 VanDerWaalsContact O-CG 3.29Å; S84-K88 WeakPolarHBondContact O-CG 3.44Å; S84-K88 PolarHBondContact O-N 2.84Å |
| 85 | M | 86 | Confident | 80.7 | Confident | 62 Ų | 62 | 107.2 Ų | 107.2 | 31% | 0.305 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 177.6 | -72.7 | -58.4 | 102 | 0 | 0 | 111.1 | Y81 Q82 G87 K88 L89 | Y81-M85 HydrophobicContact CD1-CG 4.49Å; Y81-M85 HydrophobicContact CD2-CG 4.43Å; Y81-M85 HydrophobicContact CE1-CG 4.04Å; Y81-M85 HydrophobicContact CE2-CE 4.16Å; Y81-M85 HydrophobicContact CE2-CG 3.97Å; Y81-M85 HydrophobicContact CE2-SD 4.24Å; Y81-M85 WeakPolarHBondContact O-CG 3.25Å; Y81-M85 PolarHBondContact O-N 3.26Å; Q82-M85 WeakPolarHBondContact O-CB 3.37Å; Q82-M85 PolarHBondContact O-N 3.2Å; Q82-M85 VanDerWaalsContact O-N 3.1Å; M85-G87 VanDerWaalsContact C-N 3.26Å; M85-G87 PolarHBondContact O-N 3.17Å; M85-K88 HydrophobicContact CE-CG 4.37Å; M85-K88 PolarHBondContact O-N 2.98Å; M85-K88 VanDerWaalsContact O-N 3.12Å; M85-L89 WeakPolarHBondContact O-CB 2.96Å; M85-L89 WeakPolarHBondContact O-CG 3.48Å; M85-L89 PolarHBondContact O-N 2.8Å |
| 86 | D | 80.3 | Confident | 79.1 | Confident | 88 Ų | 88 | 110.7 Ų | 110.7 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 177.2 | -62.5 | -17.8 | 0 | 0 | 0 | 111.1 | Q82 Q83 S90 | Q82-D86 PolarHBondContact NE2-OD1 3.47Å; Q82-D86 PolarHBondContact O-N 3.16Å; Q83-D86 PolarHBondContact O-N 3.44Å; D86-S90 WeakPolarHBondContact O-CB 3.3Å; D86-S90 PolarHBondContact O-N 2.76Å |
| 87 | G | 73.1 | Confident | 77.4 | Confident | 26 Ų | 26 | 109.1 Ų | 109.1 | 27% | 0.268 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -38 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q83 S84 M85 D93 | Q83-G87 PolarHBondContact O-N 3.06Å; Q83-G87 VanDerWaalsContact O-N 3.13Å; S84-G87 PolarHBondContact O-N 2.91Å; M85-G87 VanDerWaalsContact C-N 3.26Å; M85-G87 PolarHBondContact O-N 3.17Å; G87-D93 WeakPolarHBondContact O-CB 3.43Å |
| 88 | K | 67.3 | Low | 75.9 | Confident | 106 Ų | 106 | 106.6 Ų | 106.6 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.7 | -39.9 | 177.1 | -54.1 | -38.8 | -92.9 | -177 | 0 | 112 | S84 M85 D93 | S84-K88 VanDerWaalsContact O-CG 3.29Å; S84-K88 WeakPolarHBondContact O-CG 3.44Å; S84-K88 PolarHBondContact O-N 2.84Å; M85-K88 HydrophobicContact CE-CG 4.37Å; M85-K88 PolarHBondContact O-N 2.98Å; M85-K88 VanDerWaalsContact O-N 3.12Å; K88-D93 IonicContact NZ-OD2 2.88Å; K88-D93 PolarHBondContact NZ-OD2 3.4Å |
| 89 | L | 64.8 | Low | 74.3 | Confident | 146 Ų | 146 | 109.9 Ų | 109.9 | 76% | 0.764 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -78.1 | -33.9 | -177.1 | -65.2 | 176.3 | 0 | 0 | 0 | 112.3 | M85 G91 | M85-L89 WeakPolarHBondContact O-CB 2.96Å; M85-L89 WeakPolarHBondContact O-CG 3.48Å; M85-L89 PolarHBondContact O-N 2.8Å; L89-G91 PolarHBondContact O-N 2.87Å |
| 90 | S | 65.5 | Low | 72.7 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 60% | 0.601 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -6.2 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 113.5 | D86 R92 | D86-S90 WeakPolarHBondContact O-CB 3.3Å; D86-S90 PolarHBondContact O-N 2.76Å; S90-R92 PolarHBondContact O-N 3.24Å |
| 91 | G | 62.7 | Low | 70.6 | Confident | 30 Ų | 30 | 109 Ų | 109 | 31% | 0.309 | 57% | 0.567 | S | S | . | * | S | Bend | trans | 67.4 | -7.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L89 R94 | L89-G91 PolarHBondContact O-N 2.87Å; G91-R94 PolarHBondContact O-N 3.42Å |
| 92 | R | 67.9 | Low | 69.2 | Low | 170 Ų | 170 | 107.3 Ų | 107.3 | 64% | 0.642 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -74.6 | -32 | -177.1 | -168.4 | 170.6 | 134.4 | 148.4 | -3 | 112.6 | S90 | S90-R92 PolarHBondContact O-N 3.24Š|
| 93 | D | 60 | Low | 67.9 | Low | 97 Ų | 97 | 106.8 Ų | 106.8 | 52% | 0.519 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -15.8 | 175.7 | -172.5 | 50.3 | 0 | 0 | 0 | 113.6 | G87 K88 R95 | G87-D93 WeakPolarHBondContact O-CB 3.43Å; K88-D93 IonicContact NZ-OD2 2.88Å; K88-D93 PolarHBondContact NZ-OD2 3.4Å; D93-R95 VanDerWaalsContact C-N 3.33Å |
| 94 | R | 62.3 | Low | 66.8 | Low | 201 Ų | 201 | 105.6 Ų | 105.6 | 76% | 0.758 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -12.7 | 176.3 | -87.7 | -178.3 | 171 | 176.1 | -0.6 | 113.6 | G91 H96 | G91-R94 PolarHBondContact O-N 3.42Å; R94-H96 PolarHBondContact O-N 2.72Å |
| 95 | R | 69.4 | Low | 65.8 | Low | 131 Ų | 131 | 111.4 Ų | 111.4 | 49% | 0.494 | 60% | 0.599 | S | S | . | * | trans | -88.1 | 97.4 | 174 | -62.8 | -170.2 | -79.1 | -138.3 | 6.7 | 106.7 | D93 C97 E103 | D93-R95 VanDerWaalsContact C-N 3.33Å; R95-C97 PolarHBondContact O-N 2.77Å; R95-E103 IonicContact CZ-OE1 3.77Å; R95-E103 IonicContact CZ-OE2 3.91Å; R95-E103 IonicContact NH2-OE1 2.74Å; R95-E103 PolarHBondContact NH2-OE1 3.33Å; R95-E103 IonicContact NH2-OE2 2.83Å; R95-E103 PolarHBondContact NH2-OE2 2.88Å | ||
| 96 | H | 62.9 | Low | 64.6 | Low | 168 Ų | 168 | 113.8 Ų | 113.8 | 78% | 0.778 | 62% | 0.619 | S | S | * | * | trans | -51.9 | 104.5 | 148.8 | 45.1 | -71.6 | 0 | 0 | 0 | 104.5 | R94 G98 | R94-H96 PolarHBondContact O-N 2.72Å; H96-G98 PolarHBondContact O-N 3.48Å | ||
| 97 | C | 60.3 | Low | 63.2 | Low | 92 Ų | 92 | 118.3 Ų | 118.3 | 62% | 0.622 | 64% | 0.637 | S | S | * | * | trans | -65 | 77.3 | 166.8 | -65.7 | 0 | 0 | 0 | 0 | 105.5 | R95 F101 | R95-C97 PolarHBondContact O-N 2.77Å; C97-F101 WeakPolarHBondContact CB-O 3.26Å | ||
| 98 | G | 64.1 | Low | 62.3 | Low | 41 Ų | 41 | 124.8 Ų | 124.8 | 42% | 0.423 | 67% | 0.665 | S | S | . | * | trans | -53.7 | 149.6 | 175 | 0 | 0 | 0 | 0 | 0 | 108.3 | H96 G100 F101 | H96-G98 PolarHBondContact O-N 3.48Å; G98-G100 PolarHBondContact O-N 3.31Å; G98-F101 PolarHBondContact O-N 2.83Å | ||
| 99 | L | 63 | Low | 61.4 | Low | 195 Ų | 195 | 126.3 Ų | 126.3 | 100% | 1.021 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -18.9 | 88.8 | 176.9 | -70.5 | 158.9 | 0 | 0 | 0 | 112.9 | ||
| 100 | G | 61.8 | Low | 60.7 | Low | 83 Ų | 83 | 126.9 Ų | 126.9 | 86% | 0.856 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.5 | 12.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | G98 | G98-G100 PolarHBondContact O-N 3.31Š|
| 101 | F | 51.2 | Low | 59.8 | Low | 139 Ų | 139 | 127.3 Ų | 127.3 | 61% | 0.61 | 69% | 0.688 | S | S | * | * | trans | -114 | 119.6 | 173.3 | -161.5 | -96.5 | 0 | 0 | 0 | 114.3 | C97 G98 | C97-F101 WeakPolarHBondContact CB-O 3.26Å; G98-F101 PolarHBondContact O-N 2.83Å | ||
| 102 | S | 64.1 | Low | 58.9 | Low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -109.6 | 128.6 | 168 | -50.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 103 | E | 66.3 | Low | 57.8 | Low | 93 Ų | 93 | 129.6 Ų | 129.6 | 44% | 0.435 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 126.5 | 170.9 | -177.4 | 166.6 | -144.6 | 0 | 0 | 109.2 | R95 Q105 | R95-E103 IonicContact CZ-OE1 3.77Å; R95-E103 IonicContact CZ-OE2 3.91Å; R95-E103 IonicContact NH2-OE1 2.74Å; R95-E103 PolarHBondContact NH2-OE1 3.33Å; R95-E103 IonicContact NH2-OE2 2.83Å; R95-E103 PolarHBondContact NH2-OE2 2.88Å; E103-Q105 PolarHBondContact O-N 3.43Å |
| 104 | P | 66.8 | Low | 56.9 | Low | 108 Ų | 108 | 129.6 Ų | 129.6 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.7 | 175.9 | 24.3 | -30.1 | 0 | 0 | 0 | 109.8 | ||
| 105 | Q | 62.1 | Low | 55.9 | Low | 173 Ų | 173 | 127.8 Ų | 127.8 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.6 | 176.3 | -174.1 | 158.4 | -36.8 | 0 | 0 | 109.3 | E103 E107 | E103-Q105 PolarHBondContact O-N 3.43Å; Q105-E107 PolarHBondContact O-N 3.43Å |
| 106 | P | 59.9 | Low | 54.4 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -61 | 107.4 | 175.4 | 24.5 | -32.5 | 0 | 0 | 0 | 108 | L108 | P106-L108 PolarHBondContact O-N 2.97Š| ||
| 107 | E | 51 | Low | 53.3 | Low | 182 Ų | 182 | 128.3 Ų | 128.3 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -59.9 | 118.7 | 169.5 | -73.3 | -177.5 | 174.1 | 0 | 0 | 107 | Q105 V109 | Q105-E107 PolarHBondContact O-N 3.43Å; E107-V109 PolarHBondContact O-N 3.37Å | ||
| 108 | L | 55.4 | Low | 51.9 | Low | 163 Ų | 163 | 129.9 Ų | 129.9 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -53.7 | 111.8 | 164 | -67.6 | 171.5 | 0 | 0 | 0 | 106.1 | P106 I110 | P106-L108 PolarHBondContact O-N 2.97Å; L108-I110 VanDerWaalsContact C-N 3.31Å; L108-I110 PolarHBondContact O-N 2.89Å | ||
| 109 | V | 47.2 | Very low | 50.6 | Low | 138 Ų | 138 | 136.6 Ų | 136.6 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -61.5 | 95.5 | -179.3 | -170.6 | 0 | 0 | 0 | 0 | 107.6 | E107 S111 | E107-V109 PolarHBondContact O-N 3.37Å; V109-S111 PolarHBondContact O-N 3.5Å; V109-S111 VanDerWaalsContact O-N 3.16Å | ||
| 110 | I | 51.2 | Low | 49.3 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -71.4 | 105.1 | 165.9 | -61.7 | 171.5 | 0 | 0 | 0 | 105 | L108 | L108-I110 VanDerWaalsContact C-N 3.31Å; L108-I110 PolarHBondContact O-N 2.89Å | ||
| 111 | S | 47.1 | Very low | 48 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135.2 | 173.6 | 51.4 | 0 | 0 | 0 | 0 | 111.2 | V109 | V109-S111 PolarHBondContact O-N 3.5Å; V109-S111 VanDerWaalsContact O-N 3.16Å |
| 112 | P | 43.1 | Very low | 47.7 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 150.2 | 169.7 | 32.1 | -32 | 0 | 0 | 0 | 111 | ||
| 113 | P | 45 | Very low | 46.9 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81 | 125.1 | 176.9 | 32.6 | -30.6 | 0 | 0 | 0 | 109.9 | ||
| 114 | A | 39.8 | Very low | 45.4 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -139.1 | 105.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109 | S116 | A114-S116 PolarHBondContact O-N 3.04Š| ||
| 115 | D | 42.3 | Very low | 44 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -55.2 | 126.3 | 160.8 | -81.3 | -47.8 | 0 | 0 | 0 | 109.5 | ||||
| 116 | S | 38.9 | Very low | 43 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -176 | 127.8 | 143.5 | -78.2 | 0 | 0 | 0 | 0 | 110.4 | A114 | A114-S116 PolarHBondContact O-N 3.04Š| ||
| 117 | Q | 39.1 | Very low | 41.8 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -41.1 | 145.6 | 175.2 | -61.3 | 167.2 | 60.1 | 0 | 0 | 114.4 | ||||
| 118 | T | 31.4 | Very low | 41.4 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | 159.6 | 116.7 | 113.2 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 119 | E | 37.1 | Very low | 40.5 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | 34.4 | 140 | 144.9 | -133.4 | -176.7 | 162.5 | 0 | 0 | 124.1 | ||||
| 120 | A | 35 | Very low | 40.1 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 82.5 | 105.6 | 145 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 121 | A | 34.4 | Very low | 39.4 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | 136.3 | 109.5 | 114.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 122 | K | 44 | Very low | 38.8 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -78.4 | 154.4 | 148.3 | -74.4 | -172.8 | 173.4 | -174.1 | 0 | 108.5 | ||||
| 123 | P | 47.8 | Very low | 38.2 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | -141 | 141.7 | 95 | 21.4 | 1.3 | 0 | 0 | 0 | 114.2 | |||||
| 124 | E | 35.8 | Very low | 37.8 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | 74.5 | 107.6 | 106.9 | -55.1 | -62.6 | 144.5 | 0 | 0 | 113.7 | |||||
| 125 | E | 36.7 | Very low | 37.8 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 57.1 | 115.7 | 92.7 | -84.4 | -156.8 | 179.5 | 0 | 0 | 116.6 | |||||
| 126 | S | 39.8 | Very low | 37.5 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -167.8 | 109.2 | 140.8 | 49.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 127 | S | 36.3 | Very low | 37.4 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | 51.2 | 94.6 | 56.3 | -161.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 128 | S | 42 | Very low | 37.5 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -156.1 | 107.1 | 139.3 | 40.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 129 | E | 36.9 | Very low | 37.4 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -78 | 160.9 | 166.6 | -171.9 | -178.1 | 170.4 | 0 | 0 | 110.6 | ||||
| 130 | N | 38.3 | Very low | 37.1 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | trans | 128.6 | 106.7 | 147 | -67.7 | -47.5 | 0 | 0 | 0 | 114.2 | ||||
| 131 | Q | 36.8 | Very low | 36.9 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | 82.6 | 125.7 | 72.4 | -77.5 | -176.4 | 12.9 | 0 | 0 | 112.4 | |||||
| 132 | N | 34.2 | Very low | 37.5 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | 161.7 | 116.5 | 117 | -133.8 | 18.8 | 0 | 0 | 0 | 110 | |||||
| 133 | T | 30.6 | Very low | 37.1 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | 59.9 | 140.6 | 104.7 | 70.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 134 | E | 35.7 | Very low | 36.3 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | -179.2 | 118.1 | 54.3 | -156 | 168.1 | 159.4 | 0 | 0 | 106 | |||||
| 135 | A | 39.8 | Very low | 36.1 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 34.9 | 116.4 | 105.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 136 | Q | 36.5 | Very low | 35.8 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -151.6 | 115.9 | 136.6 | -117.6 | -173.8 | -52.5 | 0 | 0 | 111.3 | ||||
| 137 | E | 36.3 | Very low | 36.3 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -77.2 | 147.6 | 164.9 | -58.4 | 170.4 | 164 | 0 | 0 | 108.7 | ||||
| 138 | E | 41.2 | Very low | 36 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -144.8 | 128.8 | 148.3 | -83.9 | -66.4 | 156.6 | 0 | 0 | 107.8 | ||||
| 139 | D | 29.5 | Very low | 35.5 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -95.8 | 163.3 | -172.4 | -176 | 16.7 | 0 | 0 | 0 | 110.1 | ||||
| 140 | S | 31.9 | Very low | 35.1 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | 142.5 | 106.5 | 144.2 | -65 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 141 | S | 29.6 | Very low | 35.1 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -91.1 | -171.6 | 152.5 | -166.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 142 | P | 48.4 | Very low | 35.5 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -124.6 | 176 | -36.2 | 16.8 | 6.8 | 0 | 0 | 0 | 111.7 | ||||
| 143 | E | 34.7 | Very low | 35.2 | Very low | 204 Ų | 204 | 146.7 Ų | 146.7 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | -135.8 | 135.3 | 149 | -98 | -157.5 | 153.9 | 0 | 0 | 112.3 | ||||
| 144 | E | 32 | Very low | 35.5 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -79.5 | 155.2 | -176.8 | -59.3 | -173.1 | 125 | 0 | 0 | 113.1 | ||||
| 145 | K | 31 | Very low | 36 | Very low | 217 Ų | 217 | 145.6 Ų | 145.6 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | -161.4 | 131.1 | 125 | -105.3 | 171.6 | -166.2 | -179.2 | 0 | 111 | |||||
| 146 | S | 30.6 | Very low | 36.1 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -101.8 | -163.5 | -178 | -159.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 147 | P | 49.9 | Very low | 36.9 | Very low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | -124 | 171.7 | -92.2 | 39.5 | -23.9 | 0 | 0 | 0 | 113.3 | |||||
| 148 | E | 29.4 | Very low | 37.4 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 179.3 | 110.2 | 146.3 | -107.7 | 172.6 | 148.5 | 0 | 0 | 108.9 | ||||
| 149 | Q | 32 | Very low | 37.9 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | 85.2 | 116.7 | 94.2 | -82.9 | -164.3 | -42.9 | 0 | 0 | 113.7 | |||||
| 150 | E | 29.8 | Very low | 39.2 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | 171.8 | 106.6 | 119.6 | -89.6 | 177.4 | -164 | 0 | 0 | 110.2 | |||||
| 151 | D | 36.6 | Very low | 40.7 | Very low | 160 Ų | 160 | 149 Ų | 149 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -94.8 | 163.5 | 149.3 | -87.6 | -42.4 | 0 | 0 | 0 | 106.5 | ||||
| 152 | P | 45.1 | Very low | 42.2 | Very low | 128 Ų | 128 | 150.9 Ų | 150.9 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | cis | -146.8 | 167.1 | 28.6 | 37.6 | -16.1 | 0 | 0 | 0 | 116.9 | ||||
| 153 | G | 29.7 | Very low | 43.1 | Very low | 76 Ų | 76 | 154 Ų | 154 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 123.6 | 107.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 154 | S | 36.6 | Very low | 44.6 | Very low | 116 Ų | 116 | 151.7 Ų | 151.7 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | -173.8 | 117.8 | 110.6 | -168.3 | 0 | 0 | 0 | 0 | 108.7 | D156 | S154-D156 PolarHBondContact O-N 2.96Š| |||
| 155 | D | 44.5 | Very low | 46.2 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -59.4 | 121.7 | 163.9 | -155.8 | -2 | 0 | 0 | 0 | 108 | ||||
| 156 | D | 42.4 | Very low | 48.3 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -144.2 | 99.9 | 156.4 | -162.6 | 17.4 | 0 | 0 | 0 | 110.2 | S154 S158 | S154-D156 PolarHBondContact O-N 2.96Å; D156-S158 PolarHBondContact O-N 3.39Å; D156-S158 VanDerWaalsContact O-N 3.09Å | ||
| 157 | Q | 52.9 | Low | 50.5 | Low | 155 Ų | 155 | 152.4 Ų | 152.4 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -70.6 | 93.8 | 175.9 | -65 | 179 | 7.2 | 0 | 0 | 110.3 | ||||
| 158 | S | 47.4 | Very low | 51.6 | Low | 108 Ų | 108 | 153.8 Ų | 153.8 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -103.9 | 85.1 | 162.5 | 75.8 | 0 | 0 | 0 | 0 | 111.1 | D156 E160 | D156-S158 PolarHBondContact O-N 3.39Å; D156-S158 VanDerWaalsContact O-N 3.09Å; S158-E160 PolarHBondContact O-N 2.64Å | ||
| 159 | K | 51.5 | Low | 53.9 | Low | 179 Ų | 179 | 154.5 Ų | 154.5 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | trans | -9.5 | 112.6 | 165 | -63.2 | 173.8 | -178.1 | 173.6 | 0 | 115.4 | R161 | K159-R161 PolarHBondContact O-N 3.23Š| ||
| 160 | E | 57.9 | Low | 55.7 | Low | 152 Ų | 152 | 153.2 Ų | 153.2 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | trans | -52.6 | 108.4 | 158.9 | -75.6 | -168.2 | 151.1 | 0 | 0 | 110 | S158 K162 | S158-E160 PolarHBondContact O-N 2.64Å; E160-K162 IonicContact OE1-NZ 3.48Å; E160-K162 PolarHBondContact OE1-NZ 3.17Å; E160-K162 WeakPolarHBondContact OE2-CE 3.26Å; E160-K162 IonicContact OE2-NZ 2.72Å; E160-K162 PolarHBondContact OE2-NZ 2.92Å | ||
| 161 | R | 61.7 | Low | 57.4 | Low | 220 Ų | 220 | 153.5 Ų | 153.5 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | -97.8 | 83.8 | 160 | -74.2 | -175.1 | 178.4 | -179 | 0.6 | 108.1 | K159 Q163 | K159-R161 PolarHBondContact O-N 3.23Å; R161-Q163 PolarHBondContact O-N 3.23Å | ||
| 162 | K | 62.2 | Low | 58.7 | Low | 145 Ų | 145 | 151.5 Ų | 151.5 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | trans | -61.2 | 98.7 | 166.2 | -78.7 | 170.4 | 171.2 | 132.7 | 0 | 108.3 | E160 N164 | E160-K162 IonicContact OE1-NZ 3.48Å; E160-K162 PolarHBondContact OE1-NZ 3.17Å; E160-K162 WeakPolarHBondContact OE2-CE 3.26Å; E160-K162 IonicContact OE2-NZ 2.72Å; E160-K162 PolarHBondContact OE2-NZ 2.92Å; K162-N164 PolarHBondContact O-N 2.99Å | ||
| 163 | Q | 67.2 | Low | 59.4 | Low | 172 Ų | 172 | 157.3 Ų | 157.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -78.7 | 102 | 172.7 | -65.9 | -158.8 | 6.2 | 0 | 0 | 108.6 | R161 Y165 | R161-Q163 PolarHBondContact O-N 3.23Å; Q163-Y165 VanDerWaalsContact C-N 3.35Å; Q163-Y165 PolarHBondContact O-N 3.01Å | ||
| 164 | N | 65 | Low | 60.9 | Low | 157 Ų | 157 | 161.4 Ų | 161.4 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -74.1 | 87.6 | 173.2 | -55.5 | -53.2 | 0 | 0 | 0 | 108.9 | K162 | K162-N164 PolarHBondContact O-N 2.99Š| ||
| 165 | Y | 67.6 | Low | 62.2 | Low | 193 Ų | 193 | 163.7 Ų | 163.7 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | -84.2 | 113.9 | 175 | -164.1 | -108.9 | 0 | 0 | 0 | 110 | Q163 M167 | Q163-Y165 VanDerWaalsContact C-N 3.35Å; Q163-Y165 PolarHBondContact O-N 3.01Å; Y165-M167 HydrophobicContact CD1-CG 4.22Å; Y165-M167 HydrophobicContact CD1-SD 3.59Å; Y165-M167 VanDerWaalsContact CD1-SD 3.59Å; Y165-M167 HydrophobicContact CE1-CG 4.41Å; Y165-M167 HydrophobicContact CE1-SD 3.27Å; Y165-M167 WeakPolarHBondContact CE1-SD 3.27Å | ||
| 166 | K | 73.3 | Confident | 63.2 | Low | 194 Ų | 194 | 165.2 Ų | 165.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -94.1 | 108.4 | 179.2 | -144.9 | 174.9 | -170.8 | 176.5 | 0 | 108.8 | ||||
| 167 | M | 77.3 | Confident | 64.4 | Low | 128 Ų | 128 | 166.4 Ų | 166.4 | 63% | 0.631 | 81% | 0.81 | S | S | * | * | trans | -74.4 | 128.1 | 175 | -64.7 | -68.6 | -82.4 | 0 | 0 | 109.8 | Y165 | Y165-M167 HydrophobicContact CD1-CG 4.22Å; Y165-M167 HydrophobicContact CD1-SD 3.59Å; Y165-M167 VanDerWaalsContact CD1-SD 3.59Å; Y165-M167 HydrophobicContact CE1-CG 4.41Å; Y165-M167 HydrophobicContact CE1-SD 3.27Å; Y165-M167 WeakPolarHBondContact CE1-SD 3.27Å | ||
| 168 | V | 74.3 | Confident | 65.1 | Low | 140 Ų | 140 | 167.1 Ų | 167.1 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -106.1 | 123.9 | 169.9 | -103.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 169 | F | 76.8 | Confident | 66.3 | Low | 183 Ų | 183 | 171 Ų | 171 | 80% | 0.803 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 126.7 | 177.7 | -62.8 | -85.1 | 0 | 0 | 0 | 109.7 | ||
| 170 | V | 70.6 | Confident | 67.3 | Low | 136 Ų | 136 | 170.4 Ų | 170.4 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 121.2 | 170.2 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | S172 | V170-S172 PolarHBondContact O-N 3.47Š|
| 171 | K | 64.7 | Low | 68.1 | Low | 198 Ų | 198 | 171.8 Ų | 171.8 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 125.3 | 172.8 | -84.2 | 167.8 | 73.6 | 159.4 | 0 | 109 | ||
| 172 | S | 63.8 | Low | 68.6 | Low | 119 Ų | 119 | 167.8 Ų | 167.8 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 137.1 | 174 | -47.1 | 0 | 0 | 0 | 0 | 110.1 | V170 | V170-S172 PolarHBondContact O-N 3.47Š|
| 173 | L | 60.4 | Low | 69.2 | Low | 249 Ų | 249 | 169.9 Ų | 169.9 | 100% | 1.304 | 85% | 0.85 | S | S | * | * | trans | -72.7 | 0 | 173.8 | -79.4 | 147.7 | 0 | 0 | 0 | 111.3 |
Retrieved 173 of 173 residues in 91.3 ms
(Link to these results)