| 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 | 60.7 | Low | 86 | Confident | 219 Ų | 219 | 137.2 Ų | 137.2 | 100% | 1.079 | 72% | 0.724 | S | S | * | * | 0 | 112.6 | 0 | -80.1 | -142.6 | -147.3 | 0 | 0 | 107.3 | R3 | M1-R3 PolarHBondContact O-N 3.11Å; M1-R3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | G | 63.6 | Low | 86.8 | Confident | 36 Ų | 36 | 140.5 Ų | 140.5 | 37% | 0.371 | 72% | 0.719 | S | S | . | * | trans | -38 | 102.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | D7 | G2-D7 WeakPolarHBondContact CA-O 3.47Å; G2-D7 WeakPolarHBondContact CA-OD2 3.36Å; G2-D7 PolarHBondContact N-OD2 3.33Å | ||
| 3 | R | 83.3 | Confident | 87.6 | Confident | 210 Ų | 210 | 142.8 Ų | 142.8 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -120.3 | -2.1 | 171.5 | -70.2 | -174.1 | 177.7 | 154.9 | -0.7 | 113.2 | M1 | M1-R3 PolarHBondContact O-N 3.11Å; M1-R3 VanDerWaalsContact O-N 3.11Å | ||
| 4 | H | 90 | Very high | 88.3 | Confident | 145 Ų | 145 | 140.1 Ų | 140.1 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -137.3 | 152.9 | -173.6 | -56.6 | -64.2 | 0 | 0 | 0 | 111.5 | G6 D7 L8 | H4-G6 PolarHBondContact O-N 3.36Å; H4-D7 PolarHBondContact O-N 3.12Å; H4-D7 VanDerWaalsContact O-N 3.12Å; H4-L8 WeakPolarHBondContact O-CD2 3.46Å; H4-L8 WeakPolarHBondContact O-CG 2.91Å |
| 5 | F | 93.6 | Very high | 88.9 | Confident | 202 Ų | 202 | 139.5 Ų | 139.5 | 89% | 0.886 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 129.9 | 172.3 | -66.8 | -66.5 | 0 | 0 | 0 | 110.3 | L8 | F5-L8 HydrophobicContact CD1-CD1 3.73Å; F5-L8 HydrophobicContact CE1-CD1 4.09Å |
| 6 | G | 89.9 | Confident | 89.5 | Confident | 90 Ų | 90 | 138.1 Ų | 138.1 | 93% | 0.928 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.3 | -26 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | H4 | H4-G6 PolarHBondContact O-N 3.36Š|
| 7 | D | 93.8 | Very high | 90 | Very high | 106 Ų | 106 | 141.6 Ų | 141.6 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -125.1 | 19.7 | 178.2 | -172.3 | 38.1 | 0 | 0 | 0 | 112.6 | G2 H4 | G2-D7 WeakPolarHBondContact CA-O 3.47Å; G2-D7 WeakPolarHBondContact CA-OD2 3.36Å; G2-D7 PolarHBondContact N-OD2 3.33Å; H4-D7 PolarHBondContact O-N 3.12Å; H4-D7 VanDerWaalsContact O-N 3.12Å |
| 8 | L | 92.5 | Very high | 90.4 | Very high | 102 Ų | 102 | 140.2 Ų | 140.2 | 53% | 0.534 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -72.3 | -56.2 | -173 | -65.3 | 174.7 | 0 | 0 | 0 | 113.3 | H4 F5 | H4-L8 WeakPolarHBondContact O-CD2 3.46Å; H4-L8 WeakPolarHBondContact O-CG 2.91Å; F5-L8 HydrophobicContact CD1-CD1 3.73Å; F5-L8 HydrophobicContact CE1-CD1 4.09Å |
| 9 | A | 92.2 | Very high | 90.7 | Very high | 76 Ų | 76 | 138.8 Ų | 138.8 | 63% | 0.628 | 72% | 0.718 | S | S | * | * | trans | -159.9 | 154.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111 | I11 | A9-I11 HydrophobicContact CB-CD1 4.45Å; A9-I11 HydrophobicContact CB-CG1 4.24Å | ||
| 10 | K | 92.7 | Very high | 91.1 | Very high | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 70% | 0.699 | S | S | * | * | trans | -91.8 | 102.4 | 171.5 | -172.2 | 176.6 | -176.6 | 175.8 | 0 | 109.6 | ||||
| 11 | I | 93.7 | Very high | 91.4 | Very high | 130 Ų | 130 | 133 Ų | 133 | 67% | 0.667 | 70% | 0.698 | S | S | * | * | trans | -115.4 | 139.3 | 177.3 | -56.2 | 173.7 | 0 | 0 | 0 | 108.2 | A9 V14 | A9-I11 HydrophobicContact CB-CD1 4.45Å; A9-I11 HydrophobicContact CB-CG1 4.24Å; I11-V14 HydrophobicContact CG2-CB 4.26Å; I11-V14 HydrophobicContact CG2-CG2 3.68Å | ||
| 12 | R | 96.1 | Very high | 93.1 | Very high | 177 Ų | 177 | 132.1 Ų | 132.1 | 67% | 0.668 | 69% | 0.689 | S | S | * | * | trans | -131.3 | 140.5 | 179 | -62.6 | -178.9 | 68.9 | -172.8 | 2.1 | 110.4 | V14 | R12-V14 PolarHBondContact O-N 3.49Š| ||
| 13 | H | 97.4 | Very high | 94.7 | Very high | 170 Ų | 170 | 137.1 Ų | 137.1 | 79% | 0.787 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 59.2 | 42 | 170.9 | -40.6 | 119.3 | 0 | 0 | 0 | 115.8 | ||
| 14 | V | 96.8 | Very high | 95.4 | Very high | 105 Ų | 105 | 132.2 Ų | 132.2 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | trans | -110.5 | 119.9 | 171.4 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | I11 R12 T16 | I11-V14 HydrophobicContact CG2-CB 4.26Å; I11-V14 HydrophobicContact CG2-CG2 3.68Å; R12-V14 PolarHBondContact O-N 3.49Å; V14-T16 HydrophobicContact CG1-CG2 4.3Å | ||
| 15 | I | 97.5 | Very high | 95.7 | Very high | 131 Ų | 131 | 135.3 Ų | 135.3 | 67% | 0.672 | 69% | 0.694 | S | S | * | * | trans | -107.2 | 128.1 | 177.8 | -54.3 | 173 | 0 | 0 | 0 | 108.3 | Y17 | I15-Y17 HydrophobicContact CG2-CE1 4.06Å; I15-Y17 HydrophobicContact CG2-CE2 4.11Å | ||
| 16 | T | 97.8 | Very high | 95.8 | Very high | 117 Ų | 117 | 130 Ų | 130 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | -122.4 | 135.8 | 179.6 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | V14 | V14-T16 HydrophobicContact CG1-CG2 4.3Š| ||
| 17 | Y | 98 | Very high | 96.1 | Very high | 198 Ų | 198 | 134.1 Ų | 134.1 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | trans | -109 | 149 | 177.3 | -54.3 | -79.8 | 0 | 0 | 0 | 110.6 | I15 | I15-Y17 HydrophobicContact CG2-CE1 4.06Å; I15-Y17 HydrophobicContact CG2-CE2 4.11Å | ||
| 18 | S | 97.2 | Very high | 96.2 | Very high | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | trans | -150.2 | 149.2 | 178.2 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 19 | L | 97.6 | Very high | 96.4 | Very high | 115 Ų | 115 | 132.7 Ų | 132.7 | 60% | 0.602 | 68% | 0.677 | S | S | * | * | trans | -105.9 | 153.7 | 174.5 | -65.7 | 173.8 | 0 | 0 | 0 | 110 | Q24 | L19-Q24 HydrophobicContact CB-CG 3.88Å; L19-Q24 HydrophobicContact CD1-CG 4.45Å; L19-Q24 PolarHBondContact O-NE2 2.95Å | ||
| 20 | S | 97.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 135.5 Ų | 135.5 | 34% | 0.343 | 67% | 0.673 | S | S | . | * | trans | -60.8 | 141.2 | 176.2 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | F22 E23 Q24 | S20-F22 PolarHBondContact O-N 3.31Å; S20-F22 VanDerWaalsContact O-N 3.15Å; S20-E23 PolarHBondContact N-OE2 2.82Å; S20-E23 WeakPolarHBondContact O-CB 3.47Å; S20-E23 PolarHBondContact O-N 3.38Å; S20-Q24 PolarHBondContact O-N 3.42Å | ||
| 21 | P | 97.4 | Very high | 96.7 | Very high | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -56.4 | -31 | 176.7 | -26.3 | 35.2 | 0 | 0 | 0 | 113.5 | E23 Q24 | P21-E23 PolarHBondContact O-N 3.39Å; P21-Q24 PolarHBondContact O-N 3.15Å |
| 22 | F | 97.5 | Very high | 96.8 | Very high | 201 Ų | 201 | 131.1 Ų | 131.1 | 88% | 0.882 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -74.8 | -11.7 | 178.4 | -58.1 | -70.8 | 0 | 0 | 0 | 113.6 | S20 | S20-F22 PolarHBondContact O-N 3.31Å; S20-F22 VanDerWaalsContact O-N 3.15Å |
| 23 | E | 97 | Very high | 96.8 | Very high | 142 Ų | 142 | 129 Ų | 129 | 66% | 0.664 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -99 | -8.3 | 175.6 | -62.7 | 178.1 | 148.1 | 0 | 0 | 112.2 | S20 P21 | S20-E23 PolarHBondContact N-OE2 2.82Å; S20-E23 WeakPolarHBondContact O-CB 3.47Å; S20-E23 PolarHBondContact O-N 3.38Å; P21-E23 PolarHBondContact O-N 3.39Å |
| 24 | Q | 97.8 | Very high | 96.8 | Very high | 107 Ų | 107 | 122.3 Ų | 122.3 | 50% | 0.5 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -106.8 | 156.2 | -178.1 | -62.2 | -175.7 | 47.9 | 0 | 0 | 111.4 | L19 S20 P21 | L19-Q24 HydrophobicContact CB-CG 3.88Å; L19-Q24 HydrophobicContact CD1-CG 4.45Å; L19-Q24 PolarHBondContact O-NE2 2.95Å; S20-Q24 PolarHBondContact O-N 3.42Å; P21-Q24 PolarHBondContact O-N 3.15Å |
| 25 | R | 96 | Very high | 96.8 | Very high | 210 Ų | 210 | 121.2 Ų | 121.2 | 79% | 0.792 | 62% | 0.62 | S | S | * | * | trans | -82 | 137 | 168 | -62.6 | 178.7 | -176.7 | 159.2 | 1.2 | 108.7 | F27 P28 | R25-F27 VanDerWaalsContact C-N 3.32Å; R25-F27 PolarHBondContact O-N 3.44Å; R25-P28 HydrophobicContact CB-CB 4.46Å; R25-P28 WeakPolarHBondContact O-CD 3.47Å | ||
| 26 | A | 96 | Very high | 96.9 | Very high | 91 Ų | 91 | 118.1 Ų | 118.1 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -64.1 | -35.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | P28 | A26-P28 WeakPolarHBondContact O-CD 3.37Š|
| 27 | F | 95.4 | Very high | 96.9 | Very high | 175 Ų | 175 | 115.9 Ų | 115.9 | 77% | 0.768 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -125.4 | 71.8 | 179.9 | -59.2 | -74.5 | 0 | 0 | 0 | 112.1 | R25 | R25-F27 VanDerWaalsContact C-N 3.32Å; R25-F27 PolarHBondContact O-N 3.44Å |
| 28 | P | 95.4 | Very high | 96.9 | Very high | 76 Ų | 76 | 111 Ų | 111 | 49% | 0.494 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | 144.8 | 177.7 | 32.2 | -30.6 | 0 | 0 | 0 | 110.7 | R25 A26 Y30 | R25-P28 HydrophobicContact CB-CB 4.46Å; R25-P28 WeakPolarHBondContact O-CD 3.47Å; A26-P28 WeakPolarHBondContact O-CD 3.37Å; P28-Y30 VanDerWaalsContact C-N 3.25Å; P28-Y30 PolarHBondContact O-N 3.14Å; P28-Y30 VanDerWaalsContact O-N 3.14Å |
| 29 | N | 96.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 113.3 Ų | 113.3 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 55.2 | 32.7 | 170.2 | -57.2 | -51.9 | 0 | 0 | 0 | 115.6 | F31 S32 K33 G34 | N29-F31 PolarHBondContact O-N 2.87Å; N29-S32 WeakPolarHBondContact CB-OG 3.25Å; N29-S32 PolarHBondContact O-N 2.96Å; N29-K33 HydrophobicContact CB-CB 3.86Å; N29-K33 HydrophobicContact CB-CG 3.81Å; N29-K33 WeakPolarHBondContact O-CA 3.48Å; N29-K33 PolarHBondContact O-N 3.34Å; N29-G34 PolarHBondContact O-N 3.13Å |
| 30 | Y | 95.4 | Very high | 97 | Very high | 135 Ų | 135 | 114.7 Ų | 114.7 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | I | π-helix | trans | -54.2 | -52.5 | -175.5 | -176.5 | -97.3 | 0 | 0 | 0 | 112.9 | P28 G34 I35 | P28-Y30 VanDerWaalsContact C-N 3.25Å; P28-Y30 PolarHBondContact O-N 3.14Å; P28-Y30 VanDerWaalsContact O-N 3.14Å; Y30-G34 CarbonylContact O-C 3.52Å; Y30-G34 WeakPolarHBondContact O-CA 3.3Å; Y30-G34 PolarHBondContact O-N 2.97Å; Y30-I35 HydrophobicContact CE1-CD1 4.16Å; Y30-I35 HydrophobicContact CE1-CG1 4.31Å; Y30-I35 PolarHBondContact O-N 3.44Å |
| 31 | F | 96.5 | Very high | 97 | Very high | 162 Ų | 162 | 120.5 Ų | 120.5 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | I | π-helix | trans | -79.9 | -40.1 | -179.8 | -61.3 | -78 | 0 | 0 | 0 | 112.9 | N29 I35 P36 | N29-F31 PolarHBondContact O-N 2.87Å; F31-I35 HydrophobicContact CD1-CD1 3.54Å; F31-I35 HydrophobicContact CE1-CD1 4.05Å; F31-I35 HydrophobicContact CG-CD1 4.48Å; F31-P36 WeakPolarHBondContact O-CD 3.47Å |
| 32 | S | 95.9 | Very high | 97 | Very high | 70 Ų | 70 | 120.6 Ų | 120.6 | 49% | 0.49 | 58% | 0.576 | S | S | . | * | I | π-helix | trans | -76.7 | -26.4 | -174.1 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | N29 | N29-S32 WeakPolarHBondContact CB-OG 3.25Å; N29-S32 PolarHBondContact O-N 2.96Å |
| 33 | K | 96.6 | Very high | 97 | Very high | 132 Ų | 132 | 113.5 Ų | 113.5 | 57% | 0.574 | 55% | 0.549 | S | S | * | . | I | π-helix | trans | -131.6 | -36.4 | -177.9 | -60.8 | -66.4 | -179 | -176.3 | 0 | 113.4 | N29 N37 | N29-K33 HydrophobicContact CB-CB 3.86Å; N29-K33 HydrophobicContact CB-CG 3.81Å; N29-K33 WeakPolarHBondContact O-CA 3.48Å; N29-K33 PolarHBondContact O-N 3.34Å; K33-N37 VanDerWaalsContact O-CB 3.3Å; K33-N37 WeakPolarHBondContact O-CB 3.11Å; K33-N37 PolarHBondContact O-N 2.98Å; K33-N37 VanDerWaalsContact O-N 3.13Å; K33-N37 PolarHBondContact O-ND2 2.87Å |
| 34 | G | 97 | Very high | 97.1 | Very high | 29 Ų | 29 | 110 Ų | 110 | 30% | 0.299 | 54% | 0.54 | S | S | . | . | I | π-helix | trans | -61.8 | -63.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | N29 Y30 N37 V38 | N29-G34 PolarHBondContact O-N 3.13Å; Y30-G34 CarbonylContact O-C 3.52Å; Y30-G34 WeakPolarHBondContact O-CA 3.3Å; Y30-G34 PolarHBondContact O-N 2.97Å; G34-N37 PolarHBondContact O-N 2.83Å; G34-N37 VanDerWaalsContact O-N 3.14Å; G34-V38 WeakPolarHBondContact O-CG2 3.48Å; G34-V38 PolarHBondContact O-N 3.48Å |
| 35 | I | 97.6 | Very high | 97 | Very high | 82 Ų | 82 | 107.5 Ų | 107.5 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | -179.4 | -62 | 175.5 | 0 | 0 | 0 | 112.2 | Y30 F31 N37 V38 W39 | Y30-I35 HydrophobicContact CE1-CD1 4.16Å; Y30-I35 HydrophobicContact CE1-CG1 4.31Å; Y30-I35 PolarHBondContact O-N 3.44Å; F31-I35 HydrophobicContact CD1-CD1 3.54Å; F31-I35 HydrophobicContact CE1-CD1 4.05Å; F31-I35 HydrophobicContact CG-CD1 4.48Å; I35-N37 VanDerWaalsContact C-N 3.28Å; I35-N37 PolarHBondContact O-N 2.98Å; I35-V38 PolarHBondContact O-N 3.38Å; I35-V38 VanDerWaalsContact O-N 3.13Å; I35-W39 PolarHBondContact O-N 3.28Å |
| 36 | P | 98.2 | Very high | 97.1 | Very high | 66 Ų | 66 | 99.2 Ų | 99.2 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.5 | -36.8 | 176.3 | -29.1 | 37 | 0 | 0 | 0 | 113.7 | F31 W39 R40 | F31-P36 WeakPolarHBondContact O-CD 3.47Å; P36-W39 PolarHBondContact O-N 3.03Å; P36-R40 WeakPolarHBondContact O-CB 3.33Å; P36-R40 PolarHBondContact O-N 3.46Å |
| 37 | N | 97.9 | Very high | 97.2 | Very high | 70 Ų | 70 | 102.8 Ų | 102.8 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72 | -35.8 | 176.2 | -84.7 | -59.7 | 0 | 0 | 0 | 112.8 | K33 G34 I35 W39 R40 R41 | K33-N37 VanDerWaalsContact O-CB 3.3Å; K33-N37 WeakPolarHBondContact O-CB 3.11Å; K33-N37 PolarHBondContact O-N 2.98Å; K33-N37 VanDerWaalsContact O-N 3.13Å; K33-N37 PolarHBondContact O-ND2 2.87Å; G34-N37 PolarHBondContact O-N 2.83Å; G34-N37 VanDerWaalsContact O-N 3.14Å; I35-N37 VanDerWaalsContact C-N 3.28Å; I35-N37 PolarHBondContact O-N 2.98Å; N37-W39 VanDerWaalsContact C-N 3.34Å; N37-R40 PolarHBondContact O-N 2.98Å; N37-R40 PolarHBondContact OD1-NE 2.97Å; N37-R41 WeakPolarHBondContact O-CB 3.36Å; N37-R41 VanDerWaalsContact O-CG 3.25Å; N37-R41 WeakPolarHBondContact O-CG 3.47Å; N37-R41 PolarHBondContact O-N 3.03Å |
| 38 | V | 98.2 | Very high | 97.3 | Very high | 97 Ų | 97 | 102.5 Ų | 102.5 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -47.1 | 172.5 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | G34 I35 R40 R41 F42 | G34-V38 WeakPolarHBondContact O-CG2 3.48Å; G34-V38 PolarHBondContact O-N 3.48Å; I35-V38 PolarHBondContact O-N 3.38Å; I35-V38 VanDerWaalsContact O-N 3.13Å; V38-R40 PolarHBondContact O-N 2.95Å; V38-R41 PolarHBondContact O-N 3.42Å; V38-F42 WeakPolarHBondContact O-CB 3.45Å; V38-F42 PolarHBondContact O-N 2.78Å |
| 39 | W | 98.2 | Very high | 97.4 | Very high | 164 Ų | 164 | 103.2 Ų | 103.2 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.7 | -48 | 176.4 | -177.1 | -113.5 | 0 | 0 | 0 | 112 | I35 P36 N37 R41 F42 T43 | I35-W39 PolarHBondContact O-N 3.28Å; P36-W39 PolarHBondContact O-N 3.03Å; N37-W39 VanDerWaalsContact C-N 3.34Å; W39-R41 VanDerWaalsContact C-N 3.3Å; W39-R41 PolarHBondContact O-N 3.34Å; W39-F42 AromaticContact CE3-CD1 3.97Å; W39-F42 HydrophobicContact CE3-CD1 3.97Å; W39-F42 HydrophobicContact CH2-CD1 4.3Å; W39-F42 HydrophobicContact CH2-CE1 4.32Å; W39-F42 AromaticContact CZ3-CD1 3.69Å; W39-F42 HydrophobicContact CZ3-CD1 3.69Å; W39-F42 AromaticContact CZ3-CE1 3.94Å; W39-F42 HydrophobicContact CZ3-CE1 3.94Å; W39-F42 WeakPolarHBondContact O-CB 3.29Å; W39-F42 PolarHBondContact O-N 3.29Å; W39-F42 VanDerWaalsContact O-N 3.17Å; W39-T43 HydrophobicContact CD2-CG2 3.97Å; W39-T43 HydrophobicContact CG-CG2 4.4Å; W39-T43 HydrophobicContact CH2-CG2 4.33Å; W39-T43 HydrophobicContact CZ2-CG2 3.73Å; W39-T43 WeakPolarHBondContact O-CG2 3.43Å; W39-T43 PolarHBondContact O-N 2.85Å; W39-T43 PolarHBondContact O-OG1 3.24Å |
| 40 | R | 98.1 | Very high | 97.5 | Very high | 143 Ų | 143 | 99.7 Ų | 99.7 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.7 | -40.2 | 175.8 | -173.8 | -173.4 | 64.5 | 75.7 | -1.9 | 112.9 | P36 N37 V38 T43 S44 | P36-R40 WeakPolarHBondContact O-CB 3.33Å; P36-R40 PolarHBondContact O-N 3.46Å; N37-R40 PolarHBondContact O-N 2.98Å; N37-R40 PolarHBondContact OD1-NE 2.97Å; V38-R40 PolarHBondContact O-N 2.95Å; R40-T43 PolarHBondContact O-OG1 3Å; R40-S44 WeakPolarHBondContact O-CB 3.5Å; R40-S44 PolarHBondContact O-N 3.26Å; R40-S44 PolarHBondContact O-OG 3.28Å |
| 41 | R | 97.9 | Very high | 97.6 | Very high | 171 Ų | 171 | 96.1 Ų | 96.1 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71.7 | -36.7 | 178 | -72.1 | 174.6 | 70.3 | -175.3 | 1.9 | 112.4 | N37 V38 W39 S44 S45 | N37-R41 WeakPolarHBondContact O-CB 3.36Å; N37-R41 VanDerWaalsContact O-CG 3.25Å; N37-R41 WeakPolarHBondContact O-CG 3.47Å; N37-R41 PolarHBondContact O-N 3.03Å; V38-R41 PolarHBondContact O-N 3.42Å; W39-R41 VanDerWaalsContact C-N 3.3Å; W39-R41 PolarHBondContact O-N 3.34Å; R41-S44 PolarHBondContact O-OG 3.2Å; R41-S45 PolarHBondContact O-OG 3.14Å |
| 42 | F | 98.4 | Very high | 97.7 | Very high | 108 Ų | 108 | 92.2 Ų | 92.2 | 47% | 0.474 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -52.6 | 175.4 | 173 | -102.7 | 0 | 0 | 0 | 110.5 | V38 W39 S44 S45 V46 | V38-F42 WeakPolarHBondContact O-CB 3.45Å; V38-F42 PolarHBondContact O-N 2.78Å; W39-F42 AromaticContact CE3-CD1 3.97Å; W39-F42 HydrophobicContact CE3-CD1 3.97Å; W39-F42 HydrophobicContact CH2-CD1 4.3Å; W39-F42 HydrophobicContact CH2-CE1 4.32Å; W39-F42 AromaticContact CZ3-CD1 3.69Å; W39-F42 HydrophobicContact CZ3-CD1 3.69Å; W39-F42 AromaticContact CZ3-CE1 3.94Å; W39-F42 HydrophobicContact CZ3-CE1 3.94Å; W39-F42 WeakPolarHBondContact O-CB 3.29Å; W39-F42 PolarHBondContact O-N 3.29Å; W39-F42 VanDerWaalsContact O-N 3.17Å; F42-S44 VanDerWaalsContact C-N 3.28Å; F42-S44 PolarHBondContact O-N 3.16Å; F42-S45 PolarHBondContact O-N 3.48Å; F42-V46 HydrophobicContact CE1-CB 4.16Å; F42-V46 HydrophobicContact CE1-CG1 4.44Å; F42-V46 HydrophobicContact CE1-CG2 4.12Å; F42-V46 HydrophobicContact CE2-CB 4.19Å; F42-V46 HydrophobicContact CE2-CG2 4.04Å; F42-V46 HydrophobicContact CZ-CB 3.96Å; F42-V46 HydrophobicContact CZ-CG2 3.59Å; F42-V46 WeakPolarHBondContact O-CB 3.1Å; F42-V46 PolarHBondContact O-N 2.9Å |
| 43 | T | 97.6 | Very high | 97.8 | Very high | 51 Ų | 51 | 94 Ų | 94 | 31% | 0.313 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -32.3 | -178.1 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | W39 R40 S45 | W39-T43 HydrophobicContact CD2-CG2 3.97Å; W39-T43 HydrophobicContact CG-CG2 4.4Å; W39-T43 HydrophobicContact CH2-CG2 4.33Å; W39-T43 HydrophobicContact CZ2-CG2 3.73Å; W39-T43 WeakPolarHBondContact O-CG2 3.43Å; W39-T43 PolarHBondContact O-N 2.85Å; W39-T43 PolarHBondContact O-OG1 3.24Å; R40-T43 PolarHBondContact O-OG1 3Å; T43-S45 PolarHBondContact O-N 3.2Å |
| 44 | S | 97.8 | Very high | 97.9 | Very high | 69 Ų | 69 | 92.3 Ų | 92.3 | 48% | 0.483 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.3 | -15.3 | 175.7 | 73.6 | 0 | 0 | 0 | 0 | 114.3 | R40 R41 F42 | R40-S44 WeakPolarHBondContact O-CB 3.5Å; R40-S44 PolarHBondContact O-N 3.26Å; R40-S44 PolarHBondContact O-OG 3.28Å; R41-S44 PolarHBondContact O-OG 3.2Å; F42-S44 VanDerWaalsContact C-N 3.28Å; F42-S44 PolarHBondContact O-N 3.16Å |
| 45 | S | 97.4 | Very high | 98 | Very high | 55 Ų | 55 | 94.6 Ų | 94.6 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -117.9 | -29.1 | -171.2 | -47.1 | 0 | 0 | 0 | 0 | 112.6 | R41 F42 T43 F47 K48 V49 | R41-S45 PolarHBondContact O-OG 3.14Å; F42-S45 PolarHBondContact O-N 3.48Å; T43-S45 PolarHBondContact O-N 3.2Å; S45-F47 VanDerWaalsContact C-N 3.31Å; S45-F47 PolarHBondContact O-N 3.15Å; S45-K48 WeakPolarHBondContact O-CB 3.41Å; S45-K48 PolarHBondContact O-N 3.17Å; S45-V49 PolarHBondContact O-N 3.31Å; S45-V49 VanDerWaalsContact O-N 3.16Å |
| 46 | V | 98 | Very high | 98.1 | Very high | 35 Ų | 35 | 96.2 Ų | 96.2 | 21% | 0.212 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -57 | -41.1 | -173.2 | 69.8 | 0 | 0 | 0 | 0 | 112.4 | F42 K48 V49 A50 | F42-V46 HydrophobicContact CE1-CB 4.16Å; F42-V46 HydrophobicContact CE1-CG1 4.44Å; F42-V46 HydrophobicContact CE1-CG2 4.12Å; F42-V46 HydrophobicContact CE2-CB 4.19Å; F42-V46 HydrophobicContact CE2-CG2 4.04Å; F42-V46 HydrophobicContact CZ-CB 3.96Å; F42-V46 HydrophobicContact CZ-CG2 3.59Å; F42-V46 WeakPolarHBondContact O-CB 3.1Å; F42-V46 PolarHBondContact O-N 2.9Å; V46-K48 PolarHBondContact O-N 2.89Å; V46-V49 PolarHBondContact O-N 3.18Å; V46-A50 HydrophobicContact CG2-CB 4.05Å; V46-A50 WeakPolarHBondContact O-CB 3.49Å; V46-A50 PolarHBondContact O-N 3.46Å |
| 47 | F | 97 | Very high | 98.1 | Very high | 167 Ų | 167 | 100.2 Ų | 100.2 | 73% | 0.732 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -74.8 | -11 | 179.5 | -65.3 | -69 | 0 | 0 | 0 | 114.4 | S45 P51 | S45-F47 VanDerWaalsContact C-N 3.31Å; S45-F47 PolarHBondContact O-N 3.15Å; F47-P51 VanDerWaalsContact O-CD 3.27Å; F47-P51 WeakPolarHBondContact O-CD 3.47Å; F47-P51 VanDerWaalsContact O-CG 3.23Å; F47-P51 WeakPolarHBondContact O-CG 3.2Å |
| 48 | K | 97.6 | Very high | 98.1 | Very high | 169 Ų | 169 | 102 Ų | 102 | 74% | 0.735 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -89.3 | -33.7 | 172.2 | -62.7 | 177.5 | -178.7 | 175.8 | 0 | 111.4 | S45 V46 | S45-K48 WeakPolarHBondContact O-CB 3.41Å; S45-K48 PolarHBondContact O-N 3.17Å; V46-K48 PolarHBondContact O-N 2.89Å |
| 49 | V | 98.1 | Very high | 98.1 | Very high | 90 Ų | 90 | 101.7 Ų | 101.7 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -96.6 | -42.7 | -173.3 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | S45 V46 P52 M53 | S45-V49 PolarHBondContact O-N 3.31Å; S45-V49 VanDerWaalsContact O-N 3.16Å; V46-V49 PolarHBondContact O-N 3.18Å; V49-P52 WeakPolarHBondContact O-CD 3.5Å; V49-P52 WeakPolarHBondContact O-CG 3.31Å; V49-M53 HydrophobicContact CG1-CG 4.44Å; V49-M53 VanDerWaalsContact O-CG 3.29Å; V49-M53 WeakPolarHBondContact O-CG 3.42Å |
| 50 | A | 98.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 101 Ų | 101 | 24% | 0.24 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | V46 M53 I54 | V46-A50 HydrophobicContact CG2-CB 4.05Å; V46-A50 WeakPolarHBondContact O-CB 3.49Å; V46-A50 PolarHBondContact O-N 3.46Å; A50-M53 WeakPolarHBondContact O-CB 3.48Å; A50-M53 PolarHBondContact O-N 2.92Å; A50-I54 HydrophobicContact CB-CD1 4.27Å; A50-I54 VanDerWaalsContact O-CG1 3.27Å; A50-I54 WeakPolarHBondContact O-CG1 3.23Å; A50-I54 PolarHBondContact O-N 3.32Å |
| 51 | P | 98.4 | Very high | 98.2 | Very high | 59 Ų | 59 | 97.1 Ų | 97.1 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.8 | -52.1 | -177.3 | -26.1 | 35.7 | 0 | 0 | 0 | 114.9 | F47 M53 I54 C55 | F47-P51 VanDerWaalsContact O-CD 3.27Å; F47-P51 WeakPolarHBondContact O-CD 3.47Å; F47-P51 VanDerWaalsContact O-CG 3.23Å; F47-P51 WeakPolarHBondContact O-CG 3.2Å; P51-M53 VanDerWaalsContact C-N 3.29Å; P51-M53 PolarHBondContact O-N 3.28Å; P51-I54 PolarHBondContact O-N 3.45Å; P51-C55 PolarHBondContact O-N 2.9Å; P51-C55 PolarHBondContact O-SG 3.48Å; P51-C55 VanDerWaalsContact O-SG 3.32Å |
| 52 | P | 98.2 | Very high | 98.2 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 178.1 | 24.7 | -33.9 | 0 | 0 | 0 | 112.5 | V49 C55 M56 | V49-P52 WeakPolarHBondContact O-CD 3.5Å; V49-P52 WeakPolarHBondContact O-CG 3.31Å; P52-C55 PolarHBondContact O-N 2.95Å; P52-M56 WeakPolarHBondContact O-CB 3.27Å; P52-M56 PolarHBondContact O-N 3.48Å |
| 53 | M | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 93.5 Ų | 93.5 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 175.9 | -67.2 | -64.5 | -67.5 | 0 | 0 | 112 | V49 A50 P51 M56 Y57 | V49-M53 HydrophobicContact CG1-CG 4.44Å; V49-M53 VanDerWaalsContact O-CG 3.29Å; V49-M53 WeakPolarHBondContact O-CG 3.42Å; A50-M53 WeakPolarHBondContact O-CB 3.48Å; A50-M53 PolarHBondContact O-N 2.92Å; P51-M53 VanDerWaalsContact C-N 3.29Å; P51-M53 PolarHBondContact O-N 3.28Å; M53-M56 HydrophobicContact CE-CE 4.46Å; M53-M56 PolarHBondContact O-N 3.14Å; M53-Y57 PolarHBondContact O-N 3.13Å |
| 54 | I | 98.6 | Very high | 98.2 | Very high | 96 Ų | 96 | 94.7 Ų | 94.7 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 176.4 | -67.8 | 164 | 0 | 0 | 0 | 110 | A50 P51 M56 Y57 L58 | A50-I54 HydrophobicContact CB-CD1 4.27Å; A50-I54 VanDerWaalsContact O-CG1 3.27Å; A50-I54 WeakPolarHBondContact O-CG1 3.23Å; A50-I54 PolarHBondContact O-N 3.32Å; P51-I54 PolarHBondContact O-N 3.45Å; I54-M56 VanDerWaalsContact C-N 3.29Å; I54-M56 PolarHBondContact O-N 2.92Å; I54-Y57 PolarHBondContact O-N 2.81Å; I54-Y57 VanDerWaalsContact O-N 3.15Å; I54-L58 HydrophobicContact CG2-CD1 3.93Å; I54-L58 HydrophobicContact CG2-CG 4.27Å; I54-L58 WeakPolarHBondContact O-CG 3.21Å; I54-L58 PolarHBondContact O-N 3.31Å |
| 55 | C | 98.6 | Very high | 98.2 | Very high | 76 Ų | 76 | 96.5 Ų | 96.5 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 177 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | P51 P52 T59 | P51-C55 PolarHBondContact O-N 2.9Å; P51-C55 PolarHBondContact O-SG 3.48Å; P51-C55 VanDerWaalsContact O-SG 3.32Å; P52-C55 PolarHBondContact O-N 2.95Å; C55-T59 WeakPolarHBondContact O-CB 3.36Å; C55-T59 PolarHBondContact O-N 3.29Å; C55-T59 PolarHBondContact O-OG1 2.94Å |
| 56 | M | 98.6 | Very high | 98.2 | Very high | 117 Ų | 117 | 97.2 Ų | 97.2 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.6 | -49.4 | 175.2 | -175.6 | -166.9 | 82 | 0 | 0 | 111.1 | P52 M53 I54 L58 T59 Y60 | P52-M56 WeakPolarHBondContact O-CB 3.27Å; P52-M56 PolarHBondContact O-N 3.48Å; M53-M56 HydrophobicContact CE-CE 4.46Å; M53-M56 PolarHBondContact O-N 3.14Å; I54-M56 VanDerWaalsContact C-N 3.29Å; I54-M56 PolarHBondContact O-N 2.92Å; M56-L58 PolarHBondContact O-N 3.5Å; M56-T59 PolarHBondContact O-N 3.45Å; M56-Y60 WeakPolarHBondContact O-CB 3.47Å; M56-Y60 PolarHBondContact O-N 3.15Å |
| 57 | Y | 98.6 | Very high | 98.2 | Very high | 149 Ų | 149 | 100.7 Ų | 100.7 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | -178.1 | 179.4 | -104.8 | 0 | 0 | 0 | 112.8 | M53 I54 Y60 T61 | M53-Y57 PolarHBondContact O-N 3.13Å; I54-Y57 PolarHBondContact O-N 2.81Å; I54-Y57 VanDerWaalsContact O-N 3.15Å; Y57-Y60 PolarHBondContact O-N 3.35Å; Y57-T61 WeakPolarHBondContact O-CB 3.34Å; Y57-T61 PolarHBondContact O-N 3.22Å; Y57-T61 PolarHBondContact O-OG1 2.88Å |
| 58 | L | 98.6 | Very high | 98.2 | Very high | 107 Ų | 107 | 95.1 Ų | 95.1 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -46.3 | 176.2 | -67.9 | 175.4 | 0 | 0 | 0 | 111.4 | I54 M56 Y60 T61 W62 | I54-L58 HydrophobicContact CG2-CD1 3.93Å; I54-L58 HydrophobicContact CG2-CG 4.27Å; I54-L58 WeakPolarHBondContact O-CG 3.21Å; I54-L58 PolarHBondContact O-N 3.31Å; M56-L58 PolarHBondContact O-N 3.5Å; L58-Y60 PolarHBondContact O-N 2.98Å; L58-T61 PolarHBondContact O-N 3.04Å; L58-W62 WeakPolarHBondContact O-CB 3.36Å; L58-W62 PolarHBondContact O-N 2.91Å |
| 59 | T | 98.5 | Very high | 98.1 | Very high | 91 Ų | 91 | 90.7 Ų | 90.7 | 56% | 0.558 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.7 | -43.9 | 179.2 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | C55 M56 G63 | C55-T59 WeakPolarHBondContact O-CB 3.36Å; C55-T59 PolarHBondContact O-N 3.29Å; C55-T59 PolarHBondContact O-OG1 2.94Å; M56-T59 PolarHBondContact O-N 3.45Å; T59-G63 PolarHBondContact O-N 3.3Å |
| 60 | Y | 98.5 | Very high | 97.8 | Very high | 151 Ų | 151 | 89.7 Ų | 89.7 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59 | -47.5 | 175.4 | 170.7 | -99.8 | 0 | 0 | 0 | 112 | M56 Y57 L58 G63 N64 | M56-Y60 WeakPolarHBondContact O-CB 3.47Å; M56-Y60 PolarHBondContact O-N 3.15Å; Y57-Y60 PolarHBondContact O-N 3.35Å; L58-Y60 PolarHBondContact O-N 2.98Å; Y60-G63 PolarHBondContact O-N 3.42Å; Y60-N64 VanDerWaalsContact CE1-ND2 3.31Å; Y60-N64 WeakPolarHBondContact CE1-ND2 3.35Å; Y60-N64 WeakPolarHBondContact CE2-ND2 3.27Å; Y60-N64 PolarHBondContact O-N 3.5Å; Y60-N64 VanDerWaalsContact O-N 3.08Å; Y60-N64 PolarHBondContact O-ND2 3.38Å; Y60-N64 PolarHBondContact OH-ND2 3.46Å |
| 61 | T | 98.5 | Very high | 97.6 | Very high | 61 Ų | 61 | 95.5 Ų | 95.5 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | -178 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | Y57 L58 N64 H65 | Y57-T61 WeakPolarHBondContact O-CB 3.34Å; Y57-T61 PolarHBondContact O-N 3.22Å; Y57-T61 PolarHBondContact O-OG1 2.88Å; L58-T61 PolarHBondContact O-N 3.04Å; T61-N64 PolarHBondContact O-N 2.98Å; T61-H65 WeakPolarHBondContact O-CB 3.42Å; T61-H65 PolarHBondContact O-N 2.79Å |
| 62 | W | 98.4 | Very high | 97.2 | Very high | 172 Ų | 172 | 100.2 Ų | 100.2 | 65% | 0.652 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 176.3 | 170.9 | 78.5 | 0 | 0 | 0 | 112 | L58 N64 H65 V66 | L58-W62 WeakPolarHBondContact O-CB 3.36Å; L58-W62 PolarHBondContact O-N 2.91Å; W62-N64 VanDerWaalsContact C-N 3.33Å; W62-N64 PolarHBondContact O-N 3.19Å; W62-H65 PolarHBondContact O-N 2.97Å; W62-H65 VanDerWaalsContact O-N 3.13Å; W62-V66 HydrophobicContact CD2-CG2 4.28Å; W62-V66 HydrophobicContact CG-CG2 4.44Å; W62-V66 HydrophobicContact CZ2-CG2 4.03Å; W62-V66 PolarHBondContact O-N 3.12Å |
| 63 | G | 98.3 | Very high | 96.7 | Very high | 30 Ų | 30 | 104.7 Ų | 104.7 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | T59 Y60 H67 | T59-G63 PolarHBondContact O-N 3.3Å; Y60-G63 PolarHBondContact O-N 3.42Å; G63-H67 VanDerWaalsContact O-CB 3.23Å; G63-H67 WeakPolarHBondContact O-CB 3.23Å; G63-H67 PolarHBondContact O-N 3.03Å |
| 64 | N | 98.2 | Very high | 96.2 | Very high | 76 Ų | 76 | 103.3 Ų | 103.3 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 175.2 | -74.3 | -34.7 | 0 | 0 | 0 | 112.6 | Y60 T61 W62 S68 | Y60-N64 VanDerWaalsContact CE1-ND2 3.31Å; Y60-N64 WeakPolarHBondContact CE1-ND2 3.35Å; Y60-N64 WeakPolarHBondContact CE2-ND2 3.27Å; Y60-N64 PolarHBondContact O-N 3.5Å; Y60-N64 VanDerWaalsContact O-N 3.08Å; Y60-N64 PolarHBondContact O-ND2 3.38Å; Y60-N64 PolarHBondContact OH-ND2 3.46Å; T61-N64 PolarHBondContact O-N 2.98Å; W62-N64 VanDerWaalsContact C-N 3.33Å; W62-N64 PolarHBondContact O-N 3.19Å; N64-S68 WeakPolarHBondContact O-CB 3.44Å; N64-S68 PolarHBondContact O-N 3.41Å; N64-S68 PolarHBondContact O-OG 3.08Å |
| 65 | H | 98.1 | Very high | 95.6 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -52.9 | 178.2 | -177.1 | 65.4 | 0 | 0 | 0 | 111.2 | T61 W62 H67 S68 E69 | T61-H65 WeakPolarHBondContact O-CB 3.42Å; T61-H65 PolarHBondContact O-N 2.79Å; W62-H65 PolarHBondContact O-N 2.97Å; W62-H65 VanDerWaalsContact O-N 3.13Å; H65-H67 VanDerWaalsContact C-N 3.33Å; H65-H67 PolarHBondContact O-N 3.42Å; H65-S68 PolarHBondContact O-N 2.98Å; H65-S68 VanDerWaalsContact O-N 3.07Å; H65-S68 PolarHBondContact O-OG 2.92Å; H65-E69 IonicContact CE1-OE1 3.23Å; H65-E69 PolarHBondContact O-N 3.07Å |
| 66 | V | 97.7 | Very high | 95.1 | Very high | 70 Ų | 70 | 101.3 Ų | 101.3 | 42% | 0.424 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 178.9 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | W62 S68 E69 G70 | W62-V66 HydrophobicContact CD2-CG2 4.28Å; W62-V66 HydrophobicContact CG-CG2 4.44Å; W62-V66 HydrophobicContact CZ2-CG2 4.03Å; W62-V66 PolarHBondContact O-N 3.12Å; V66-S68 VanDerWaalsContact C-N 3.28Å; V66-S68 PolarHBondContact O-N 3.38Å; V66-E69 PolarHBondContact O-N 3.38Å; V66-G70 PolarHBondContact O-N 2.7Å |
| 67 | H | 97 | Very high | 94.3 | Very high | 108 Ų | 108 | 100.9 Ų | 100.9 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 175.5 | -176.9 | 62 | 0 | 0 | 0 | 112.7 | G63 H65 K71 | G63-H67 VanDerWaalsContact O-CB 3.23Å; G63-H67 WeakPolarHBondContact O-CB 3.23Å; G63-H67 PolarHBondContact O-N 3.03Å; H65-H67 VanDerWaalsContact C-N 3.33Å; H65-H67 PolarHBondContact O-N 3.42Å; H67-K71 VanDerWaalsContact CE1-CE 3.44Å; H67-K71 WeakPolarHBondContact CE1-CE 3.36Å; H67-K71 VanDerWaalsContact NE2-CE 3.34Å; H67-K71 WeakPolarHBondContact NE2-CE 3.47Å; H67-K71 PolarHBondContact NE2-NZ 3.33Å; H67-K71 WeakPolarHBondContact O-CG 3.39Å; H67-K71 PolarHBondContact O-N 2.84Å |
| 68 | S | 96.6 | Very high | 93.6 | Very high | 49 Ų | 49 | 99 Ų | 99 | 34% | 0.343 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.2 | -40.3 | 177.6 | 76.2 | 0 | 0 | 0 | 0 | 112.5 | N64 H65 V66 K71 | N64-S68 WeakPolarHBondContact O-CB 3.44Å; N64-S68 PolarHBondContact O-N 3.41Å; N64-S68 PolarHBondContact O-OG 3.08Å; H65-S68 PolarHBondContact O-N 2.98Å; H65-S68 VanDerWaalsContact O-N 3.07Å; H65-S68 PolarHBondContact O-OG 2.92Å; V66-S68 VanDerWaalsContact C-N 3.28Å; V66-S68 PolarHBondContact O-N 3.38Å; S68-K71 PolarHBondContact O-N 3.13Å |
| 69 | E | 95.1 | Very high | 92.9 | Very high | 76 Ų | 76 | 101 Ų | 101 | 36% | 0.355 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 175.9 | -67.6 | -58.5 | 131.1 | 0 | 0 | 111 | H65 V66 K71 R72 | H65-E69 IonicContact CE1-OE1 3.23Å; H65-E69 PolarHBondContact O-N 3.07Å; V66-E69 PolarHBondContact O-N 3.38Å; E69-K71 PolarHBondContact O-N 3.03Å; E69-K71 VanDerWaalsContact O-N 3.12Å; E69-R72 VanDerWaalsContact CD-NH1 3.34Å; E69-R72 WeakPolarHBondContact O-CB 3.44Å; E69-R72 PolarHBondContact O-N 3.23Å; E69-R72 IonicContact OE1-CZ 3.89Å; E69-R72 IonicContact OE1-NE 3.88Å; E69-R72 IonicContact OE1-NH1 3.59Å; E69-R72 PolarHBondContact OE1-NH1 2.68Å; E69-R72 IonicContact OE1-NH2 3.18Å; E69-R72 IonicContact OE2-NH1 2.68Å; E69-R72 PolarHBondContact OE2-NH1 2.91Å |
| 70 | G | 92.7 | Very high | 92 | Very high | 69 Ų | 69 | 104 Ų | 104 | 71% | 0.711 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V66 | V66-G70 PolarHBondContact O-N 2.7Š|
| 71 | K | 93.6 | Very high | 90.5 | Very high | 151 Ų | 151 | 104 Ų | 104 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -13.5 | 171.3 | -74.8 | 178.5 | 177.6 | -175.6 | 0 | 113.4 | H67 S68 E69 | H67-K71 VanDerWaalsContact CE1-CE 3.44Å; H67-K71 WeakPolarHBondContact CE1-CE 3.36Å; H67-K71 VanDerWaalsContact NE2-CE 3.34Å; H67-K71 WeakPolarHBondContact NE2-CE 3.47Å; H67-K71 PolarHBondContact NE2-NZ 3.33Å; H67-K71 WeakPolarHBondContact O-CG 3.39Å; H67-K71 PolarHBondContact O-N 2.84Å; S68-K71 PolarHBondContact O-N 3.13Å; E69-K71 PolarHBondContact O-N 3.03Å; E69-K71 VanDerWaalsContact O-N 3.12Å |
| 72 | R | 91 | Very high | 88.7 | Confident | 158 Ų | 158 | 113.7 Ų | 113.7 | 60% | 0.596 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -80.2 | 141.9 | 179.6 | -65.5 | 180 | 176.4 | 166.6 | 5.7 | 109.5 | E69 | E69-R72 VanDerWaalsContact CD-NH1 3.34Å; E69-R72 WeakPolarHBondContact O-CB 3.44Å; E69-R72 PolarHBondContact O-N 3.23Å; E69-R72 IonicContact OE1-CZ 3.89Å; E69-R72 IonicContact OE1-NE 3.88Å; E69-R72 IonicContact OE1-NH1 3.59Å; E69-R72 PolarHBondContact OE1-NH1 2.68Å; E69-R72 IonicContact OE1-NH2 3.18Å; E69-R72 IonicContact OE2-NH1 2.68Å; E69-R72 PolarHBondContact OE2-NH1 2.91Å |
| 73 | K | 87.9 | Confident | 88.3 | Confident | 174 Ų | 174 | 110.8 Ų | 110.8 | 76% | 0.757 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -70 | 135.7 | 173.1 | -65.4 | -176.2 | 174.8 | -168.5 | 0 | 109.3 | Y78 | K73-Y78 HydrophobicContact CB-CE2 4.16Š|
| 74 | V | 87.8 | Confident | 87.7 | Confident | 80 Ų | 80 | 115.1 Ų | 115.1 | 49% | 0.485 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -97.1 | 126.9 | 174.7 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | A76 D77 Y78 | V74-A76 VanDerWaalsContact C-N 3.25Å; V74-A76 HydrophobicContact CG1-CB 4.05Å; V74-A76 PolarHBondContact O-N 3.38Å; V74-D77 PolarHBondContact O-N 3.17Å; V74-Y78 VanDerWaalsContact O-CD2 3.3Å; V74-Y78 WeakPolarHBondContact O-CD2 3.25Å; V74-Y78 VanDerWaalsContact O-CE2 3.25Å; V74-Y78 WeakPolarHBondContact O-CE2 3.3Å |
| 75 | A | 86.4 | Confident | 87.1 | Confident | 78 Ų | 78 | 117.2 Ų | 117.2 | 65% | 0.645 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -61 | -35.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D77 Y78 | A75-D77 PolarHBondContact O-N 3.19Å; A75-Y78 PolarHBondContact O-N 3.25Å |
| 76 | A | 86.2 | Confident | 86.5 | Confident | 53 Ų | 53 | 117.8 Ų | 117.8 | 44% | 0.438 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -60.8 | -24.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V74 Y78 | V74-A76 VanDerWaalsContact C-N 3.25Å; V74-A76 HydrophobicContact CG1-CB 4.05Å; V74-A76 PolarHBondContact O-N 3.38Å; A76-Y78 PolarHBondContact O-N 3.33Å |
| 77 | D | 82.5 | Confident | 85.8 | Confident | 107 Ų | 107 | 120.8 Ų | 120.8 | 57% | 0.572 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -71.1 | -19 | -179.5 | -64.6 | -18.5 | 0 | 0 | 0 | 112.3 | V74 A75 | V74-D77 PolarHBondContact O-N 3.17Å; A75-D77 PolarHBondContact O-N 3.19Å |
| 78 | Y | 83.9 | Confident | 85.1 | Confident | 111 Ų | 111 | 121.6 Ų | 121.6 | 44% | 0.435 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -106.9 | 2.2 | -175.7 | -51.6 | -81.6 | 0 | 0 | 0 | 113.5 | K73 V74 A75 A76 N80 | K73-Y78 HydrophobicContact CB-CE2 4.16Å; V74-Y78 VanDerWaalsContact O-CD2 3.3Å; V74-Y78 WeakPolarHBondContact O-CD2 3.25Å; V74-Y78 VanDerWaalsContact O-CE2 3.25Å; V74-Y78 WeakPolarHBondContact O-CE2 3.3Å; A75-Y78 PolarHBondContact O-N 3.25Å; A76-Y78 PolarHBondContact O-N 3.33Å; Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.32Å |
| 79 | E | 83.4 | Confident | 84.2 | Confident | 148 Ų | 148 | 126.8 Ų | 126.8 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -21.4 | -175.1 | -70.5 | 179.5 | 178.4 | 0 | 0 | 113.7 | ||
| 80 | N | 80.4 | Confident | 83.4 | Confident | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 13.5 | -176.9 | -59.7 | -62.6 | 0 | 0 | 0 | 113.6 | Y78 E82 | Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.32Å; N80-E82 PolarHBondContact O-N 3.47Å |
| 81 | E | 67.6 | Low | 82.6 | Confident | 149 Ų | 149 | 135.8 Ų | 135.8 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | trans | -89 | 90.2 | 172 | -64 | -169.6 | 158.8 | 0 | 0 | 108.3 | ||||
| 82 | E | 60.8 | Low | 81.6 | Confident | 266 Ų | 266 | 134.5 Ų | 134.5 | 100% | 1.243 | 67% | 0.672 | S | S | * | * | trans | -94.8 | 0 | 171.9 | -152.9 | 180 | -152.9 | 0 | 0 | 111.3 | N80 | N80-E82 PolarHBondContact O-N 3.47Š|
Retrieved 82 of 82 residues in 477.2 ms
(Link to these results)