| 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 | 36.1 | Very low | 51 | Low | 255 Ų | 255 | 128.5 Ų | 128.5 | 100% | 1.256 | 74% | 0.744 | S | S | * | * | 0 | 155.1 | 0 | -68.8 | -169.7 | -170.6 | 0 | 0 | 109.3 | |||||
| 2 | A | 42.9 | Very low | 51.7 | Low | 100 Ų | 100 | 127.6 Ų | 127.6 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | -71.3 | 154.7 | -149.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | K | 58.3 | Low | 52.3 | Low | 176 Ų | 176 | 128.8 Ų | 128.8 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | trans | -51.3 | 155.6 | 160.1 | -108.8 | 172.2 | 176.7 | 172.8 | 0 | 111.3 | T5 | K3-T5 HydrophobicContact CD-CG2 4.32Š| ||
| 4 | P | 48.4 | Very low | 52.9 | Low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | -139.2 | 125.4 | 100.1 | 31.1 | -14.4 | 0 | 0 | 0 | 114.1 | S6 | P4-S6 PolarHBondContact O-N 3.48Š| |||
| 5 | T | 46.4 | Very low | 53.6 | Low | 104 Ų | 104 | 126.7 Ų | 126.7 | 64% | 0.638 | 69% | 0.69 | S | S | * | * | trans | -67.6 | 115.1 | 157.5 | 38.9 | 0 | 0 | 0 | 0 | 109.2 | K3 K7 | K3-T5 HydrophobicContact CD-CG2 4.32Å; T5-K7 PolarHBondContact O-N 3.19Å | ||
| 6 | S | 48.7 | Very low | 53.9 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 87% | 0.867 | 69% | 0.687 | S | S | * | * | trans | -72 | 117 | 176.6 | -155.1 | 0 | 0 | 0 | 0 | 110.6 | P4 D8 | P4-S6 PolarHBondContact O-N 3.48Å; S6-D8 PolarHBondContact O-N 3.03Å | ||
| 7 | K | 51.4 | Low | 54.3 | Low | 196 Ų | 196 | 128.4 Ų | 128.4 | 85% | 0.852 | 69% | 0.687 | S | S | * | * | trans | -83 | 85.8 | 177.3 | -102.2 | 176.7 | 171.9 | 176.6 | 0 | 109.6 | T5 S9 | T5-K7 PolarHBondContact O-N 3.19Å; K7-S9 VanDerWaalsContact C-N 3.29Å; K7-S9 PolarHBondContact O-N 3.38Å | ||
| 8 | D | 57.2 | Low | 54.7 | Low | 101 Ų | 101 | 129.3 Ų | 129.3 | 54% | 0.54 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | 73.6 | 163.7 | -171.1 | -110.7 | 0 | 0 | 0 | 109.7 | S6 K12 | S6-D8 PolarHBondContact O-N 3.03Å; D8-K12 WeakPolarHBondContact O-CE 3.4Å; D8-K12 PolarHBondContact O-NZ 3.39Å; D8-K12 WeakPolarHBondContact OD1-CE 3Å; D8-K12 IonicContact OD1-NZ 2.61Å; D8-K12 PolarHBondContact OD1-NZ 3.49Å |
| 9 | S | 54.7 | Low | 54.9 | Low | 80 Ų | 80 | 129.7 Ų | 129.7 | 56% | 0.559 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.6 | -12.6 | 173.3 | -73.2 | 0 | 0 | 0 | 0 | 114.2 | K7 | K7-S9 VanDerWaalsContact C-N 3.29Å; K7-S9 PolarHBondContact O-N 3.38Å |
| 10 | G | 57 | Low | 55 | Low | 53 Ų | 53 | 126.7 Ų | 126.7 | 55% | 0.546 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.4 | -10 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K14 | G10-K14 PolarHBondContact O-NZ 3.28Š|
| 11 | L | 60.3 | Low | 55.4 | Low | 99 Ų | 99 | 128 Ų | 128 | 52% | 0.518 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | -46.1 | -177.6 | -124.1 | 97.1 | 0 | 0 | 0 | 113.1 | E13 K14 F15 | L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.39Å; L11-K14 VanDerWaalsContact CG-NZ 3.33Å; L11-K14 WeakPolarHBondContact O-CG 3.48Å; L11-K14 PolarHBondContact O-N 3.33Å; L11-F15 HydrophobicContact CD2-CE2 4.3Å; L11-F15 WeakPolarHBondContact O-CD2 2.85Å |
| 12 | K | 58.8 | Low | 56 | Low | 118 Ų | 118 | 118.2 Ų | 118.2 | 51% | 0.513 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.3 | -26.2 | -178.9 | 40.7 | -156 | 170.1 | -160.6 | 0 | 114 | D8 | D8-K12 WeakPolarHBondContact O-CE 3.4Å; D8-K12 PolarHBondContact O-NZ 3.39Å; D8-K12 WeakPolarHBondContact OD1-CE 3Å; D8-K12 IonicContact OD1-NZ 2.61Å; D8-K12 PolarHBondContact OD1-NZ 3.49Å |
| 13 | E | 60.2 | Low | 56.4 | Low | 143 Ų | 143 | 120 Ų | 120 | 67% | 0.668 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73 | -36.3 | 176.9 | -161.9 | 144.6 | 89.2 | 0 | 0 | 112.7 | L11 K16 | L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.39Å; E13-K16 PolarHBondContact O-N 3.17Å |
| 14 | K | 60.2 | Low | 56 | Low | 97 Ų | 97 | 117.5 Ų | 117.5 | 42% | 0.422 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -73.9 | -27.8 | 178.2 | 56.2 | 167.8 | 170.8 | -86.3 | 0 | 114.2 | G10 L11 I17 L18 | G10-K14 PolarHBondContact O-NZ 3.28Å; L11-K14 VanDerWaalsContact CG-NZ 3.33Å; L11-K14 WeakPolarHBondContact O-CG 3.48Å; L11-K14 PolarHBondContact O-N 3.33Å; K14-I17 PolarHBondContact O-N 3.46Å; K14-L18 PolarHBondContact O-N 2.61Å |
| 15 | F | 63.4 | Low | 56.2 | Low | 129 Ų | 129 | 121.5 Ų | 121.5 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.5 | -29.9 | 175.9 | -87.1 | -82.4 | 0 | 0 | 0 | 112.9 | L11 I17 L19 | L11-F15 HydrophobicContact CD2-CE2 4.3Å; L11-F15 WeakPolarHBondContact O-CD2 2.85Å; F15-I17 VanDerWaalsContact C-N 3.3Å; F15-I17 PolarHBondContact O-N 3.36Å; F15-L19 WeakPolarHBondContact O-CB 3.36Å; F15-L19 PolarHBondContact O-N 2.86Å; F15-L19 VanDerWaalsContact O-N 3.17Å |
| 16 | K | 58.8 | Low | 56 | Low | 147 Ų | 147 | 122.1 Ų | 122.1 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.2 | -31.6 | 172.3 | -86.8 | -176.1 | 171.8 | -177.7 | 0 | 113.2 | E13 | E13-K16 PolarHBondContact O-N 3.17Å |
| 17 | I | 59.8 | Low | 56.1 | Low | 135 Ų | 135 | 121.8 Ų | 121.8 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.3 | -36.4 | -179.4 | -60.4 | 170 | 0 | 0 | 0 | 110.9 | K14 F15 | K14-I17 PolarHBondContact O-N 3.46Å; F15-I17 VanDerWaalsContact C-N 3.3Å; F15-I17 PolarHBondContact O-N 3.36Å |
| 18 | L | 62.1 | Low | 55.9 | Low | 145 Ų | 145 | 115.6 Ų | 115.6 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.8 | -25.9 | 178 | -78.1 | 163.8 | 0 | 0 | 0 | 113.4 | K14 | K14-L18 PolarHBondContact O-N 2.61Å |
| 19 | L | 59.3 | Low | 55.8 | Low | 137 Ų | 137 | 121.5 Ų | 121.5 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 27.7 | -179.2 | -134.2 | 92.9 | 0 | 0 | 0 | 114.1 | F15 L21 | F15-L19 WeakPolarHBondContact O-CB 3.36Å; F15-L19 PolarHBondContact O-N 2.86Å; F15-L19 VanDerWaalsContact O-N 3.17Å; L19-L21 PolarHBondContact O-N 3.01Å |
| 20 | G | 56 | Low | 55.4 | Low | 70 Ų | 70 | 122.9 Ų | 122.9 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | 6.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 21 | L | 64.1 | Low | 54.8 | Low | 154 Ų | 154 | 124.4 Ų | 124.4 | 81% | 0.806 | 67% | 0.671 | S | S | * | * | trans | -124.1 | 68.6 | -176.4 | -96 | 77.5 | 0 | 0 | 0 | 111.1 | L19 | L19-L21 PolarHBondContact O-N 3.01Š| ||
| 22 | G | 49 | Very low | 54.3 | Low | 49 Ų | 49 | 128.1 Ų | 128.1 | 51% | 0.505 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -154.5 | 80.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 23 | T | 51.4 | Low | 53.7 | Low | 138 Ų | 138 | 125.5 Ų | 125.5 | 85% | 0.847 | 69% | 0.692 | S | S | * | * | trans | 69.9 | 139.3 | 159.6 | 62.3 | 0 | 0 | 0 | 0 | 119.5 | R25 | T23-R25 PolarHBondContact O-N 2.87Š| ||
| 24 | P | 49 | Very low | 53.3 | Low | 123 Ų | 123 | 127.8 Ų | 127.8 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.8 | -172.5 | 30.5 | -32.9 | 0 | 0 | 0 | 109.8 | ||
| 25 | R | 52.4 | Low | 52.9 | Low | 210 Ų | 210 | 129 Ų | 129 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 131.2 | 167.7 | -165.8 | 177.1 | -169 | 167.4 | 2.5 | 108.4 | T23 N27 | T23-R25 PolarHBondContact O-N 2.87Å; R25-N27 PolarHBondContact O-N 3.42Å |
| 26 | P | 42.8 | Very low | 52.7 | Low | 117 Ų | 117 | 127.9 Ų | 127.9 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 118.7 | 166.3 | 24 | -29.7 | 0 | 0 | 0 | 106.3 | P28 | P26-P28 WeakPolarHBondContact O-CD 3.36Š|
| 27 | N | 50.8 | Low | 53.6 | Low | 117 Ų | 117 | 126.2 Ų | 126.2 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | trans | -39.1 | 110.7 | 177 | -179 | 16.3 | 0 | 0 | 0 | 110.1 | R25 R29 | R25-N27 PolarHBondContact O-N 3.42Å; N27-R29 VanDerWaalsContact ND2-CG 3.3Å; N27-R29 WeakPolarHBondContact ND2-CG 3.18Å; N27-R29 PolarHBondContact O-N 3.34Å; N27-R29 PolarHBondContact OD1-N 2.84Å; N27-R29 VanDerWaalsContact OD1-N 3.09Å | ||
| 28 | P | 47.2 | Very low | 54.7 | Low | 66 Ų | 66 | 122.1 Ų | 122.1 | 43% | 0.429 | 68% | 0.683 | S | S | . | * | trans | -69.2 | 99.3 | 148.6 | 30 | -23.2 | 0 | 0 | 0 | 104.3 | P26 S30 | P26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-S30 PolarHBondContact O-N 3.35Å | ||
| 29 | R | 54.4 | Low | 56.1 | Low | 224 Ų | 224 | 120.1 Ų | 120.1 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -57.8 | 77 | 152.2 | -71.3 | -175.4 | 178.5 | -164 | -0.1 | 106.5 | N27 | N27-R29 VanDerWaalsContact ND2-CG 3.3Å; N27-R29 WeakPolarHBondContact ND2-CG 3.18Å; N27-R29 PolarHBondContact O-N 3.34Å; N27-R29 PolarHBondContact OD1-N 2.84Å; N27-R29 VanDerWaalsContact OD1-N 3.09Å |
| 30 | S | 47 | Very low | 57.6 | Low | 109 Ų | 109 | 114.2 Ų | 114.2 | 76% | 0.762 | 64% | 0.641 | S | S | * | * | trans | 160.8 | 60.2 | 177.1 | -79.2 | 0 | 0 | 0 | 0 | 109 | P28 | P28-S30 PolarHBondContact O-N 3.35Š| ||
| 31 | A | 43.7 | Very low | 59.5 | Low | 85 Ų | 85 | 113.8 Ų | 113.8 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | trans | -139 | 51.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | G33 | A31-G33 PolarHBondContact O-N 2.73Š| ||
| 32 | E | 50.3 | Low | 60.8 | Low | 177 Ų | 177 | 109.8 Ų | 109.8 | 83% | 0.827 | 61% | 0.613 | S | S | * | * | trans | -66.2 | 71.9 | 148.1 | -171.3 | 154.3 | 73.8 | 0 | 0 | 105.3 | K34 | E32-K34 PolarHBondContact O-N 2.76Š| ||
| 33 | G | 45.5 | Very low | 63 | Low | 63 Ų | 63 | 113.3 Ų | 113.3 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | trans | -70.3 | 83.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | A31 Q35 | A31-G33 PolarHBondContact O-N 2.73Å; G33-Q35 PolarHBondContact O-N 2.68Å | ||
| 34 | K | 52.2 | Low | 65 | Low | 191 Ų | 191 | 107.7 Ų | 107.7 | 83% | 0.83 | 58% | 0.581 | S | S | * | * | trans | 26.9 | 63.1 | 160 | -148.1 | 155.2 | -173.1 | 176.2 | 0 | 111.3 | E32 T36 | E32-K34 PolarHBondContact O-N 2.76Å; K34-T36 PolarHBondContact O-N 2.8Å | ||
| 35 | Q | 51.5 | Low | 67.2 | Low | 122 Ų | 122 | 104.4 Ų | 104.4 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | trans | -52.6 | 121 | 162.6 | -77 | -173.2 | -1.5 | 0 | 0 | 103.6 | G33 E37 | G33-Q35 PolarHBondContact O-N 2.68Å; Q35-E37 PolarHBondContact O-N 3.09Å | ||
| 36 | T | 59.4 | Low | 69.2 | Low | 107 Ų | 107 | 102.5 Ų | 102.5 | 66% | 0.656 | 55% | 0.55 | S | S | * | . | trans | -66.9 | 93.9 | -175.3 | -41.6 | 0 | 0 | 0 | 0 | 106.4 | K34 F38 | K34-T36 PolarHBondContact O-N 2.8Å; T36-F38 PolarHBondContact O-N 3.03Å | ||
| 37 | E | 76.9 | Confident | 71.6 | Confident | 112 Ų | 112 | 100.9 Ų | 100.9 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | trans | -57.8 | 132 | -179.6 | -69.6 | 174.7 | 103.4 | 0 | 0 | 107.4 | Q35 I39 K72 | Q35-E37 PolarHBondContact O-N 3.09Å; E37-I39 PolarHBondContact O-N 2.83Å; E37-K72 CarbonylContact C-O 3.59Å; E37-K72 WeakPolarHBondContact CA-O 3.33Å | ||
| 38 | F | 84.9 | Confident | 73.7 | Confident | 48 Ų | 48 | 95.4 Ų | 95.4 | 21% | 0.211 | 50% | 0.502 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 114.1 | 172.3 | -171.2 | -96.4 | 0 | 0 | 0 | 108.3 | T36 I40 I44 V67 K71 K72 F73 E74 | T36-F38 PolarHBondContact O-N 3.03Å; F38-I40 HydrophobicContact CD1-CD1 3.62Å; F38-I40 HydrophobicContact CE1-CD1 3.57Å; F38-I44 HydrophobicContact CE1-CD1 3.77Å; F38-I44 HydrophobicContact CZ-CD1 3.76Å; F38-V67 HydrophobicContact CB-CG1 3.79Å; F38-V67 HydrophobicContact CD1-CG1 3.86Å; F38-V67 HydrophobicContact CD2-CG1 3.51Å; F38-V67 HydrophobicContact CD2-CG2 4.48Å; F38-V67 HydrophobicContact CE1-CG1 4.22Å; F38-V67 HydrophobicContact CE2-CG1 3.95Å; F38-V67 HydrophobicContact CE2-CG2 4.13Å; F38-V67 HydrophobicContact CG-CG1 3.44Å; F38-V67 VanDerWaalsContact CG-CG1 3.44Å; F38-V67 HydrophobicContact CZ-CG1 4.26Å; F38-V67 HydrophobicContact CZ-CG2 4.29Å; F38-K71 HydrophobicContact CB-CB 4.28Å; F38-K71 HydrophobicContact CB-CD 4.35Å; F38-K71 HydrophobicContact CD2-CD 4.49Å; F38-K72 PolarHBondContact N-O 3.01Å; F38-F73 HydrophobicContact CB-CD1 3.87Å; F38-F73 HydrophobicContact CB-CE1 4.13Å; F38-F73 AromaticContact CD1-CD1 3.65Å; F38-F73 HydrophobicContact CD1-CD1 3.65Å; F38-F73 AromaticContact CD1-CE1 3.43Å; F38-F73 HydrophobicContact CD1-CE1 3.43Å; F38-F73 VanDerWaalsContact CD1-CE1 3.43Å; F38-F73 HydrophobicContact CE1-CE1 4.14Å; F38-F73 HydrophobicContact CG-CD1 4.21Å; F38-F73 HydrophobicContact CG-CE1 4.11Å; F38-E74 PolarHBondContact O-N 3.02Å; F38-E74 VanDerWaalsContact O-N 3.16Å |
| 39 | I | 90.6 | Very high | 75.9 | Confident | 103 Ų | 103 | 93.5 Ų | 93.5 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | trans | -82.6 | 128.9 | 177.7 | -63.1 | 173 | 0 | 0 | 0 | 108.4 | E37 T41 | E37-I39 PolarHBondContact O-N 2.83Å; I39-T41 HydrophobicContact CG2-CG2 4.46Å; I39-T41 PolarHBondContact O-N 3.36Å | ||
| 40 | I | 91.7 | Very high | 77.5 | Confident | 13 Ų | 13 | 90 Ų | 90 | 7% | 0.067 | 49% | 0.486 | C | S | . | . | trans | -86 | 98.1 | 174.6 | -60.5 | -59.2 | 0 | 0 | 0 | 108 | F38 I44 L45 F73 E74 A77 L81 | F38-I40 HydrophobicContact CD1-CD1 3.62Å; F38-I40 HydrophobicContact CE1-CD1 3.57Å; I40-I44 HydrophobicContact CG2-CB 4.44Å; I40-I44 HydrophobicContact CG2-CG2 4.24Å; I40-L45 HydrophobicContact CG2-CD1 4.39Å; I40-L45 HydrophobicContact CG2-CD2 3.7Å; I40-L45 HydrophobicContact CG2-CG 3.81Å; I40-F73 HydrophobicContact CD1-CD1 3.96Å; I40-F73 HydrophobicContact CD1-CE1 3.94Å; I40-F73 HydrophobicContact CG1-CD1 4.38Å; I40-E74 PolarHBondContact N-OE1 3.03Å; I40-A77 HydrophobicContact CB-CB 4.12Å; I40-A77 HydrophobicContact CG1-CB 3.35Å; I40-L81 HydrophobicContact CD1-CD1 3.85Å; I40-L81 HydrophobicContact CD1-CD2 4.14Å; I40-L81 HydrophobicContact CD1-CG 4.16Å; I40-L81 HydrophobicContact CG1-CD1 4.14Å; I40-L81 HydrophobicContact CG1-CD2 4.48Å; I40-L81 HydrophobicContact CG1-CG 4.17Å; I40-L81 HydrophobicContact CG2-CD2 4.06Å; I40-L81 HydrophobicContact CG2-CG 4.34Å | ||
| 41 | T | 94.1 | Very high | 79.7 | Confident | 62 Ų | 62 | 92.9 Ų | 92.9 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | trans | -70.9 | 158.5 | -179.9 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | I39 E43 I44 L45 | I39-T41 HydrophobicContact CG2-CG2 4.46Å; I39-T41 PolarHBondContact O-N 3.36Å; T41-E43 PolarHBondContact O-N 2.91Å; T41-I44 PolarHBondContact O-N 3.06Å; T41-I44 VanDerWaalsContact O-N 3.13Å; T41-I44 PolarHBondContact OG1-N 2.96Å; T41-L45 PolarHBondContact O-N 3.37Å | ||
| 42 | A | 92.8 | Very high | 82 | Confident | 69 Ų | 69 | 90.8 Ų | 90.8 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.4 | -24.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R46 | A42-R46 WeakPolarHBondContact O-CB 3.4Å; A42-R46 PolarHBondContact O-N 2.91Å |
| 43 | E | 94.4 | Very high | 83.9 | Confident | 123 Ų | 123 | 84.4 Ų | 84.4 | 58% | 0.575 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68 | -46.5 | 174.3 | -176.9 | 174.1 | 81.5 | 0 | 0 | 111.3 | T41 L45 R46 E47 | T41-E43 PolarHBondContact O-N 2.91Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.29Å; E43-R46 WeakPolarHBondContact O-CB 3.3Å; E43-R46 PolarHBondContact O-N 3.19Å; E43-E47 PolarHBondContact O-N 3.13Å |
| 44 | I | 94.3 | Very high | 85.9 | Confident | 20 Ų | 20 | 85.4 Ų | 85.4 | 10% | 0.103 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 175 | -66.3 | 171.4 | 0 | 0 | 0 | 110.3 | F38 I40 T41 R46 E47 L48 M60 I64 L81 | F38-I44 HydrophobicContact CE1-CD1 3.77Å; F38-I44 HydrophobicContact CZ-CD1 3.76Å; I40-I44 HydrophobicContact CG2-CB 4.44Å; I40-I44 HydrophobicContact CG2-CG2 4.24Å; T41-I44 PolarHBondContact O-N 3.06Å; T41-I44 VanDerWaalsContact O-N 3.13Å; T41-I44 PolarHBondContact OG1-N 2.96Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.06Å; I44-E47 PolarHBondContact O-N 3.17Å; I44-L48 HydrophobicContact CG2-CD1 4.22Å; I44-L48 WeakPolarHBondContact O-CG 3.38Å; I44-L48 PolarHBondContact O-N 3.43Å; I44-M60 HydrophobicContact CG2-SD 4.3Å; I44-I64 HydrophobicContact CG2-CD1 3.65Å; I44-I64 HydrophobicContact CG2-CG1 4.35Å; I44-L81 HydrophobicContact CG2-CD2 4.49Å |
| 45 | L | 94.3 | Very high | 87.7 | Confident | 55 Ų | 55 | 82.5 Ų | 82.5 | 29% | 0.288 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 177.3 | -64.8 | 176.5 | 0 | 0 | 0 | 112.3 | I40 T41 E43 L48 S49 A80 L81 A84 | I40-L45 HydrophobicContact CG2-CD1 4.39Å; I40-L45 HydrophobicContact CG2-CD2 3.7Å; I40-L45 HydrophobicContact CG2-CG 3.81Å; T41-L45 PolarHBondContact O-N 3.37Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.29Å; L45-L48 CarbonylContact O-C 3.59Å; L45-L48 PolarHBondContact O-N 3.26Å; L45-S49 PolarHBondContact O-N 3.12Å; L45-S49 VanDerWaalsContact O-N 3.09Å; L45-A80 HydrophobicContact CD1-CB 4.49Å; L45-A80 HydrophobicContact CD2-CB 4.28Å; L45-L81 HydrophobicContact CD2-CD2 4.48Å; L45-A84 HydrophobicContact CD2-CB 4.15Å |
| 46 | R | 94.4 | Very high | 89.6 | Confident | 170 Ų | 170 | 81.4 Ų | 81.4 | 64% | 0.642 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 176.1 | -167.9 | -177.5 | -63.2 | 146.1 | 0.5 | 111.7 | A42 E43 I44 L48 S49 C52 | A42-R46 WeakPolarHBondContact O-CB 3.4Å; A42-R46 PolarHBondContact O-N 2.91Å; E43-R46 WeakPolarHBondContact O-CB 3.3Å; E43-R46 PolarHBondContact O-N 3.19Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.06Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 3.16Å; R46-S49 WeakPolarHBondContact O-CB 3.35Å; R46-S49 PolarHBondContact O-N 3.24Å; R46-S49 VanDerWaalsContact O-N 3.14Å; R46-C52 PolarHBondContact O-SG 3.43Å |
| 47 | E | 94.4 | Very high | 91.1 | Very high | 83 Ų | 83 | 76.9 Ų | 76.9 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.9 | -25.7 | 175.1 | -71.6 | -169.3 | -139.8 | 0 | 0 | 113.2 | E43 I44 C52 M60 | E43-E47 PolarHBondContact O-N 3.13Å; I44-E47 PolarHBondContact O-N 3.17Å; E47-C52 WeakPolarHBondContact O-CB 3.23Å; E47-M60 HydrophobicContact CB-CE 4.05Å; E47-M60 HydrophobicContact CB-CG 4.35Å; E47-M60 VanDerWaalsContact CD-CE 3.44Å; E47-M60 HydrophobicContact CG-CE 4.34Å; E47-M60 WeakPolarHBondContact OE2-CE 2.87Å |
| 48 | L | 94.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -8.1 | 171.9 | -68 | 174.9 | 0 | 0 | 0 | 113.8 | I44 L45 R46 R57 M60 I61 I64 L81 A84 V85 | I44-L48 HydrophobicContact CG2-CD1 4.22Å; I44-L48 WeakPolarHBondContact O-CG 3.38Å; I44-L48 PolarHBondContact O-N 3.43Å; L45-L48 CarbonylContact O-C 3.59Å; L45-L48 PolarHBondContact O-N 3.26Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 3.16Å; L48-R57 PolarHBondContact O-NE 3.37Å; L48-R57 PolarHBondContact O-NH2 3.06Å; L48-R57 VanDerWaalsContact O-NH2 3.15Å; L48-M60 HydrophobicContact CD2-CB 3.95Å; L48-M60 HydrophobicContact CD2-CG 3.7Å; L48-M60 HydrophobicContact CG-CG 3.92Å; L48-I61 HydrophobicContact CD2-CD1 4.42Å; L48-I61 HydrophobicContact CD2-CG1 3.62Å; L48-I64 HydrophobicContact CD1-CD1 3.75Å; L48-I64 HydrophobicContact CD2-CD1 4.42Å; L48-I64 HydrophobicContact CG-CD1 4.4Å; L48-L81 HydrophobicContact CD1-CD2 3.44Å; L48-L81 VanDerWaalsContact CD1-CD2 3.44Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.41Å; L48-V85 HydrophobicContact CB-CG1 4.48Å; L48-V85 HydrophobicContact CD1-CG1 4.37Å; L48-V85 HydrophobicContact CD2-CG1 4.12Å |
| 49 | S | 92.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 82.5 Ų | 82.5 | 19% | 0.189 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -57.8 | 149.2 | 179.9 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | L45 R46 E51 C52 R57 | L45-S49 PolarHBondContact O-N 3.12Å; L45-S49 VanDerWaalsContact O-N 3.09Å; R46-S49 WeakPolarHBondContact O-CB 3.35Å; R46-S49 PolarHBondContact O-N 3.24Å; R46-S49 VanDerWaalsContact O-N 3.14Å; S49-E51 PolarHBondContact O-N 3.45Å; S49-E51 VanDerWaalsContact O-N 3.13Å; S49-E51 PolarHBondContact OG-N 3.23Å; S49-E51 PolarHBondContact OG-OE2 3.42Å; S49-C52 WeakPolarHBondContact O-CB 3.46Å; S49-C52 PolarHBondContact O-N 3.39Å; S49-R57 WeakPolarHBondContact O-CD 3.45Å; S49-R57 PolarHBondContact O-NE 3.2Å |
| 50 | M | 89.4 | Confident | 92.3 | Very high | 150 Ų | 150 | 78.4 Ų | 78.4 | 74% | 0.739 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.5 | 171.7 | 63.6 | -178.8 | -68.9 | 0 | 0 | 113.8 | C52 | M50-C52 PolarHBondContact O-N 3.02Š|
| 51 | E | 91.6 | Very high | 92.3 | Very high | 170 Ų | 170 | 80.1 Ų | 80.1 | 79% | 0.794 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -19.8 | 173.5 | -61.9 | 166.9 | 110.9 | 0 | 0 | 112.1 | S49 | S49-E51 PolarHBondContact O-N 3.45Å; S49-E51 VanDerWaalsContact O-N 3.13Å; S49-E51 PolarHBondContact OG-N 3.23Å; S49-E51 PolarHBondContact OG-OE2 3.42Å |
| 52 | C | 92.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 78.8 Ų | 78.8 | 27% | 0.27 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -85.4 | 145.7 | 173.2 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | R46 E47 S49 M50 R57 | R46-C52 PolarHBondContact O-SG 3.43Å; E47-C52 WeakPolarHBondContact O-CB 3.23Å; S49-C52 WeakPolarHBondContact O-CB 3.46Å; S49-C52 PolarHBondContact O-N 3.39Å; M50-C52 PolarHBondContact O-N 3.02Å; C52-R57 HydrophobicContact CB-CG 3.98Å; C52-R57 WeakPolarHBondContact O-CD 3.4Å |
| 53 | G | 90.9 | Very high | 92.1 | Very high | 43 Ų | 43 | 80.6 Ų | 80.6 | 44% | 0.443 | 41% | 0.405 | S | S | . | . | trans | -59.9 | 144.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N55 N56 R57 | G53-N55 PolarHBondContact O-N 3.28Å; G53-N55 VanDerWaalsContact O-N 3.12Å; G53-N56 WeakPolarHBondContact O-CB 3.21Å; G53-N56 PolarHBondContact O-N 2.91Å; G53-R57 PolarHBondContact O-N 3.12Å | ||
| 54 | L | 87.3 | Confident | 91.9 | Very high | 85 Ų | 85 | 75.4 Ų | 75.4 | 45% | 0.445 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -51.6 | -40.3 | -175.5 | -177.9 | 63.8 | 0 | 0 | 0 | 113.5 | N56 R57 I58 L88 | L54-N56 VanDerWaalsContact C-N 3.33Å; L54-N56 PolarHBondContact O-N 2.92Å; L54-R57 PolarHBondContact O-N 3.46Å; L54-I58 HydrophobicContact CD1-CD1 4.17Å; L54-I58 HydrophobicContact CD1-CG1 4.35Å; L54-I58 HydrophobicContact CD2-CD1 4.45Å; L54-I58 HydrophobicContact CG-CD1 3.84Å; L54-I58 HydrophobicContact CG-CG1 4.43Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.46Å; L54-L88 HydrophobicContact CD1-CD2 3.56Å |
| 55 | N | 88.9 | Confident | 91.6 | Very high | 130 Ų | 130 | 75 Ų | 75 | 70% | 0.695 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.7 | -36 | 178.8 | -70.7 | -33 | 0 | 0 | 0 | 113.1 | G53 R59 | G53-N55 PolarHBondContact O-N 3.28Å; G53-N55 VanDerWaalsContact O-N 3.12Å; N55-R59 WeakPolarHBondContact O-CB 3.45Å; N55-R59 PolarHBondContact O-N 3.46Å; N55-R59 VanDerWaalsContact O-N 3.1Å |
| 56 | N | 91.7 | Very high | 91.2 | Very high | 99 Ų | 99 | 77.7 Ų | 77.7 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 177.4 | -65.2 | -9.2 | 0 | 0 | 0 | 109.9 | G53 L54 I58 R59 M60 | G53-N56 WeakPolarHBondContact O-CB 3.21Å; G53-N56 PolarHBondContact O-N 2.91Å; L54-N56 VanDerWaalsContact C-N 3.33Å; L54-N56 PolarHBondContact O-N 2.92Å; N56-I58 PolarHBondContact O-N 3.06Å; N56-R59 PolarHBondContact O-N 2.97Å; N56-M60 PolarHBondContact O-N 3.49Å |
| 57 | R | 92.6 | Very high | 90.9 | Very high | 11 Ų | 11 | 71.2 Ų | 71.2 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 177.2 | -59.7 | 174.9 | 72.6 | -162.3 | -0.8 | 111.5 | L48 S49 C52 G53 L54 R59 M60 I61 A84 D87 | L48-R57 PolarHBondContact O-NE 3.37Å; L48-R57 PolarHBondContact O-NH2 3.06Å; L48-R57 VanDerWaalsContact O-NH2 3.15Å; S49-R57 WeakPolarHBondContact O-CD 3.45Å; S49-R57 PolarHBondContact O-NE 3.2Å; C52-R57 HydrophobicContact CB-CG 3.98Å; C52-R57 WeakPolarHBondContact O-CD 3.4Å; G53-R57 PolarHBondContact O-N 3.12Å; L54-R57 PolarHBondContact O-N 3.46Å; R57-R59 PolarHBondContact O-N 2.77Å; R57-M60 PolarHBondContact O-N 2.91Å; R57-I61 VanDerWaalsContact O-CG1 3.22Å; R57-I61 WeakPolarHBondContact O-CG1 3.12Å; R57-I61 PolarHBondContact O-N 3.23Å; R57-A84 PolarHBondContact NH2-O 2.94Å; R57-D87 IonicContact CZ-OD1 3.65Å; R57-D87 IonicContact CZ-OD2 3.45Å; R57-D87 IonicContact NH1-OD1 3.71Å; R57-D87 IonicContact NH1-OD2 2.73Å; R57-D87 PolarHBondContact NH1-OD2 3.13Å; R57-D87 IonicContact NH2-OD1 2.66Å; R57-D87 PolarHBondContact NH2-OD1 3.34Å; R57-D87 IonicContact NH2-OD2 3.58Å; R57-D87 PolarHBondContact NH2-OD2 2.96Å |
| 58 | I | 89.5 | Confident | 90.5 | Very high | 95 Ų | 95 | 68.6 Ų | 68.6 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.2 | -69.3 | 167.8 | 0 | 0 | 0 | 111.4 | L54 N56 I61 G62 | L54-I58 HydrophobicContact CD1-CD1 4.17Å; L54-I58 HydrophobicContact CD1-CG1 4.35Å; L54-I58 HydrophobicContact CD2-CD1 4.45Å; L54-I58 HydrophobicContact CG-CD1 3.84Å; L54-I58 HydrophobicContact CG-CG1 4.43Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.46Å; N56-I58 PolarHBondContact O-N 3.06Å; I58-I61 PolarHBondContact O-N 3.14Å; I58-G62 PolarHBondContact O-N 2.78Å |
| 59 | R | 92.8 | Very high | 90.1 | Very high | 183 Ų | 183 | 75.2 Ų | 75.2 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.6 | -47.8 | 177.5 | -178.9 | -172.7 | -64.3 | -90.5 | 0.2 | 111.4 | N55 N56 R57 G62 Q63 | N55-R59 WeakPolarHBondContact O-CB 3.45Å; N55-R59 PolarHBondContact O-N 3.46Å; N55-R59 VanDerWaalsContact O-N 3.1Å; N56-R59 PolarHBondContact O-N 2.97Å; R57-R59 PolarHBondContact O-N 2.77Å; R59-G62 PolarHBondContact O-N 3.44Å; R59-Q63 PolarHBondContact O-N 3.3Å |
| 60 | M | 93.9 | Very high | 89.6 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 9% | 0.089 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 179.9 | 179.1 | 53 | 75 | 0 | 0 | 111.7 | I44 E47 L48 N56 R57 G62 Q63 I64 | I44-M60 HydrophobicContact CG2-SD 4.3Å; E47-M60 HydrophobicContact CB-CE 4.05Å; E47-M60 HydrophobicContact CB-CG 4.35Å; E47-M60 VanDerWaalsContact CD-CE 3.44Å; E47-M60 HydrophobicContact CG-CE 4.34Å; E47-M60 WeakPolarHBondContact OE2-CE 2.87Å; L48-M60 HydrophobicContact CD2-CB 3.95Å; L48-M60 HydrophobicContact CD2-CG 3.7Å; L48-M60 HydrophobicContact CG-CG 3.92Å; N56-M60 PolarHBondContact O-N 3.49Å; R57-M60 PolarHBondContact O-N 2.91Å; M60-G62 VanDerWaalsContact C-N 3.28Å; M60-G62 PolarHBondContact O-N 3.28Å; M60-Q63 PolarHBondContact O-N 3.13Å; M60-Q63 VanDerWaalsContact O-N 3.13Å; M60-I64 HydrophobicContact CG-CD1 3.89Å; M60-I64 WeakPolarHBondContact O-CG1 3.39Å; M60-I64 PolarHBondContact O-N 3.31Å; M60-I64 HydrophobicContact SD-CD1 4.02Å; M60-I64 HydrophobicContact SD-CG1 4.14Å |
| 61 | I | 92.1 | Very high | 89.4 | Confident | 49 Ų | 49 | 76.9 Ų | 76.9 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.2 | -47.7 | 172.3 | -68.8 | 164.3 | 0 | 0 | 0 | 110 | L48 R57 I58 Q63 I64 C65 V85 L88 | L48-I61 HydrophobicContact CD2-CD1 4.42Å; L48-I61 HydrophobicContact CD2-CG1 3.62Å; R57-I61 VanDerWaalsContact O-CG1 3.22Å; R57-I61 WeakPolarHBondContact O-CG1 3.12Å; R57-I61 PolarHBondContact O-N 3.23Å; I58-I61 PolarHBondContact O-N 3.14Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 2.9Å; I61-I64 PolarHBondContact O-N 2.94Å; I61-C65 PolarHBondContact O-N 3.09Å; I61-C65 PolarHBondContact O-SG 3.15Å; I61-V85 HydrophobicContact CD1-CB 4.42Å; I61-V85 HydrophobicContact CD1-CG1 3.89Å; I61-V85 HydrophobicContact CG1-CG1 4.11Å; I61-L88 HydrophobicContact CD1-CD1 3.81Å |
| 62 | G | 89.6 | Confident | 89 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 34% | 0.34 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.6 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I58 R59 M60 C65 E66 | I58-G62 PolarHBondContact O-N 2.78Å; R59-G62 PolarHBondContact O-N 3.44Å; M60-G62 VanDerWaalsContact C-N 3.28Å; M60-G62 PolarHBondContact O-N 3.28Å; G62-C65 WeakPolarHBondContact O-CB 3.42Å; G62-C65 PolarHBondContact O-N 3.12Å; G62-E66 PolarHBondContact O-N 3.32Å; G62-E66 VanDerWaalsContact O-N 3.11Å |
| 63 | Q | 92.3 | Very high | 88.8 | Confident | 107 Ų | 107 | 74.5 Ų | 74.5 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 176.9 | -67.7 | 177.2 | -75.4 | 0 | 0 | 112.1 | R59 M60 I61 C65 E66 V67 | R59-Q63 PolarHBondContact O-N 3.3Å; M60-Q63 PolarHBondContact O-N 3.13Å; M60-Q63 VanDerWaalsContact O-N 3.13Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 2.9Å; Q63-C65 VanDerWaalsContact C-N 3.27Å; Q63-C65 PolarHBondContact O-N 3.36Å; Q63-E66 PolarHBondContact O-N 3.34Å; Q63-V67 WeakPolarHBondContact O-CG2 3.46Å; Q63-V67 PolarHBondContact O-N 3.46Å; Q63-V67 VanDerWaalsContact O-N 3.12Å |
| 64 | I | 91.6 | Very high | 88.7 | Confident | 14 Ų | 14 | 75.3 Ų | 75.3 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 177.7 | -65.6 | 163.1 | 0 | 0 | 0 | 110.7 | I44 L48 M60 I61 V67 A68 F73 L81 | I44-I64 HydrophobicContact CG2-CD1 3.65Å; I44-I64 HydrophobicContact CG2-CG1 4.35Å; L48-I64 HydrophobicContact CD1-CD1 3.75Å; L48-I64 HydrophobicContact CD2-CD1 4.42Å; L48-I64 HydrophobicContact CG-CD1 4.4Å; M60-I64 HydrophobicContact CG-CD1 3.89Å; M60-I64 WeakPolarHBondContact O-CG1 3.39Å; M60-I64 PolarHBondContact O-N 3.31Å; M60-I64 HydrophobicContact SD-CD1 4.02Å; M60-I64 HydrophobicContact SD-CG1 4.14Å; I61-I64 PolarHBondContact O-N 2.94Å; I64-V67 WeakPolarHBondContact O-CB 3.22Å; I64-V67 PolarHBondContact O-N 3.34Å; I64-A68 PolarHBondContact O-N 2.96Å; I64-F73 HydrophobicContact CG2-CE1 4.19Å; I64-F73 HydrophobicContact CG2-CZ 3.74Å; I64-L81 HydrophobicContact CD1-CD2 3.8Å; I64-L81 HydrophobicContact CG2-CD1 3.73Å; I64-L81 HydrophobicContact CG2-CD2 4.46Å |
| 65 | C | 86.9 | Confident | 88.5 | Confident | 13 Ų | 13 | 78.7 Ų | 78.7 | 9% | 0.088 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 175.4 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | I61 G62 Q63 V67 A68 K69 C113 | I61-C65 PolarHBondContact O-N 3.09Å; I61-C65 PolarHBondContact O-SG 3.15Å; G62-C65 WeakPolarHBondContact O-CB 3.42Å; G62-C65 PolarHBondContact O-N 3.12Å; Q63-C65 VanDerWaalsContact C-N 3.27Å; Q63-C65 PolarHBondContact O-N 3.36Å; C65-V67 VanDerWaalsContact C-N 3.29Å; C65-V67 PolarHBondContact O-N 3.13Å; C65-A68 WeakPolarHBondContact O-CB 2.93Å; C65-A68 PolarHBondContact O-N 3.25Å; C65-K69 PolarHBondContact O-N 3.1Å; C65-C113 HydrophobicContact CB-CB 3.72Å; C65-C113 WeakPolarHBondContact CB-SG 3.36Å; C65-C113 WeakPolarHBondContact SG-CB 3.49Å; C65-C113 CovalentContact SG-SG 2.02Å; C65-C113 PolarHBondContact SG-SG 3.21Å |
| 66 | E | 87.4 | Confident | 88.4 | Confident | 111 Ų | 111 | 78.1 Ų | 78.1 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 173.7 | -65.4 | -51.1 | 133.1 | 0 | 0 | 112.1 | G62 Q63 K69 | G62-E66 PolarHBondContact O-N 3.32Å; G62-E66 VanDerWaalsContact O-N 3.11Å; Q63-E66 PolarHBondContact O-N 3.34Å; E66-K69 PolarHBondContact O-N 3.45Å; E66-K69 IonicContact OE1-NZ 2.71Å; E66-K69 PolarHBondContact OE1-NZ 2.91Å; E66-K69 IonicContact OE2-NZ 3.28Å; E66-K69 PolarHBondContact OE2-NZ 3.31Å |
| 67 | V | 87.6 | Confident | 88.2 | Confident | 33 Ų | 33 | 73.5 Ų | 73.5 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 174 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | F38 Q63 I64 C65 K69 T70 K71 F73 | F38-V67 HydrophobicContact CB-CG1 3.79Å; F38-V67 HydrophobicContact CD1-CG1 3.86Å; F38-V67 HydrophobicContact CD2-CG1 3.51Å; F38-V67 HydrophobicContact CD2-CG2 4.48Å; F38-V67 HydrophobicContact CE1-CG1 4.22Å; F38-V67 HydrophobicContact CE2-CG1 3.95Å; F38-V67 HydrophobicContact CE2-CG2 4.13Å; F38-V67 HydrophobicContact CG-CG1 3.44Å; F38-V67 VanDerWaalsContact CG-CG1 3.44Å; F38-V67 HydrophobicContact CZ-CG1 4.26Å; F38-V67 HydrophobicContact CZ-CG2 4.29Å; Q63-V67 WeakPolarHBondContact O-CG2 3.46Å; Q63-V67 PolarHBondContact O-N 3.46Å; Q63-V67 VanDerWaalsContact O-N 3.12Å; I64-V67 WeakPolarHBondContact O-CB 3.22Å; I64-V67 PolarHBondContact O-N 3.34Å; C65-V67 VanDerWaalsContact C-N 3.29Å; C65-V67 PolarHBondContact O-N 3.13Å; V67-K69 PolarHBondContact O-N 3Å; V67-K69 VanDerWaalsContact O-N 3.12Å; V67-T70 PolarHBondContact O-N 3.49Å; V67-T70 PolarHBondContact O-OG1 3.18Å; V67-K71 HydrophobicContact CG1-CB 4.14Å; V67-K71 HydrophobicContact CG1-CD 4.37Å; V67-K71 PolarHBondContact O-N 3.42Å; V67-F73 HydrophobicContact CG1-CE1 4.04Å; V67-F73 HydrophobicContact CG1-CZ 4.42Å |
| 68 | A | 85.9 | Confident | 87.9 | Confident | 29 Ų | 29 | 75.5 Ų | 75.5 | 24% | 0.24 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.4 | -26.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I64 C65 T70 F73 | I64-A68 PolarHBondContact O-N 2.96Å; C65-A68 WeakPolarHBondContact O-CB 2.93Å; C65-A68 PolarHBondContact O-N 3.25Å; A68-T70 VanDerWaalsContact C-N 3.29Å; A68-T70 PolarHBondContact O-N 2.93Å; A68-F73 HydrophobicContact CB-CE2 3.49Å; A68-F73 VanDerWaalsContact CB-CE2 3.49Å; A68-F73 HydrophobicContact CB-CZ 3.72Å |
| 69 | K | 84.7 | Confident | 87.7 | Confident | 140 Ų | 140 | 75.3 Ų | 75.3 | 61% | 0.609 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25 | 177.5 | -65.8 | 174.7 | -168.8 | 171 | 0 | 113.6 | C65 E66 V67 | C65-K69 PolarHBondContact O-N 3.1Å; E66-K69 PolarHBondContact O-N 3.45Å; E66-K69 IonicContact OE1-NZ 2.71Å; E66-K69 PolarHBondContact OE1-NZ 2.91Å; E66-K69 IonicContact OE2-NZ 3.28Å; E66-K69 PolarHBondContact OE2-NZ 3.31Å; V67-K69 PolarHBondContact O-N 3Å; V67-K69 VanDerWaalsContact O-N 3.12Å |
| 70 | T | 83.1 | Confident | 87.6 | Confident | 119 Ų | 119 | 68.1 Ų | 68.1 | 73% | 0.73 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | -17.2 | -168.7 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | V67 A68 | V67-T70 PolarHBondContact O-N 3.49Å; V67-T70 PolarHBondContact O-OG1 3.18Å; A68-T70 VanDerWaalsContact C-N 3.29Å; A68-T70 PolarHBondContact O-N 2.93Å |
| 71 | K | 84.1 | Confident | 87.4 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 40% | 0.404 | 35% | 0.347 | S | S | . | . | trans | -129.4 | 142 | -178.4 | -62.3 | -167.4 | 178.2 | -177.7 | 0 | 111.1 | F38 V67 | F38-K71 HydrophobicContact CB-CB 4.28Å; F38-K71 HydrophobicContact CB-CD 4.35Å; F38-K71 HydrophobicContact CD2-CD 4.49Å; V67-K71 HydrophobicContact CG1-CB 4.14Å; V67-K71 HydrophobicContact CG1-CD 4.37Å; V67-K71 PolarHBondContact O-N 3.42Å | ||
| 72 | K | 84.3 | Confident | 87.2 | Confident | 124 Ų | 124 | 69.3 Ų | 69.3 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 141.7 | 161.7 | -89.7 | -168.4 | 169.6 | -174.7 | 0 | 109.6 | E37 F38 | E37-K72 CarbonylContact C-O 3.59Å; E37-K72 WeakPolarHBondContact CA-O 3.33Å; F38-K72 PolarHBondContact N-O 3.01Å |
| 73 | F | 86.9 | Confident | 87.1 | Confident | 35 Ų | 35 | 75.6 Ų | 75.6 | 15% | 0.154 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 155.1 | 166.9 | -66.3 | -64.3 | 0 | 0 | 0 | 110.5 | F38 I40 I64 V67 A68 A77 V78 | F38-F73 HydrophobicContact CB-CD1 3.87Å; F38-F73 HydrophobicContact CB-CE1 4.13Å; F38-F73 AromaticContact CD1-CD1 3.65Å; F38-F73 HydrophobicContact CD1-CD1 3.65Å; F38-F73 AromaticContact CD1-CE1 3.43Å; F38-F73 HydrophobicContact CD1-CE1 3.43Å; F38-F73 VanDerWaalsContact CD1-CE1 3.43Å; F38-F73 HydrophobicContact CE1-CE1 4.14Å; F38-F73 HydrophobicContact CG-CD1 4.21Å; F38-F73 HydrophobicContact CG-CE1 4.11Å; I40-F73 HydrophobicContact CD1-CD1 3.96Å; I40-F73 HydrophobicContact CD1-CE1 3.94Å; I40-F73 HydrophobicContact CG1-CD1 4.38Å; I64-F73 HydrophobicContact CG2-CE1 4.19Å; I64-F73 HydrophobicContact CG2-CZ 3.74Å; V67-F73 HydrophobicContact CG1-CE1 4.04Å; V67-F73 HydrophobicContact CG1-CZ 4.42Å; A68-F73 HydrophobicContact CB-CE2 3.49Å; A68-F73 VanDerWaalsContact CB-CE2 3.49Å; A68-F73 HydrophobicContact CB-CZ 3.72Å; F73-A77 HydrophobicContact CB-CB 3.77Å; F73-A77 HydrophobicContact CG-CB 4.41Å; F73-V78 HydrophobicContact CB-CG2 4.41Å; F73-V78 HydrophobicContact CD2-CG2 4.08Å |
| 74 | E | 88.8 | Confident | 87 | Confident | 61 Ų | 61 | 71.7 Ų | 71.7 | 29% | 0.285 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 166.3 | 169 | 65.1 | 178.7 | 165.7 | 0 | 0 | 112.1 | F38 I40 H76 A77 | F38-E74 PolarHBondContact O-N 3.02Å; F38-E74 VanDerWaalsContact O-N 3.16Å; I40-E74 PolarHBondContact N-OE1 3.03Å; E74-H76 PolarHBondContact O-N 3.11Å; E74-A77 HydrophobicContact CG-CB 3.57Å; E74-A77 WeakPolarHBondContact O-CB 3.02Å; E74-A77 PolarHBondContact O-N 2.66Å |
| 75 | E | 84.6 | Confident | 86.8 | Confident | 156 Ų | 156 | 72.1 Ų | 72.1 | 73% | 0.729 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 137.6 | 173 | -165.7 | 173.7 | 88.2 | 0 | 0 | 110.7 | A77 | E75-A77 PolarHBondContact O-N 2.93Š|
| 76 | H | 85.9 | Confident | 86.7 | Confident | 118 Ų | 118 | 73.2 Ų | 73.2 | 55% | 0.546 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -5.1 | -179.5 | -53 | -50.2 | 0 | 0 | 0 | 117.8 | E74 V78 E79 A80 | E74-H76 PolarHBondContact O-N 3.11Å; H76-V78 VanDerWaalsContact C-N 3.28Å; H76-V78 PolarHBondContact O-N 2.02Å; H76-E79 VanDerWaalsContact CA-OE2 3.23Å; H76-E79 WeakPolarHBondContact CA-OE2 3.5Å; H76-E79 IonicContact ND1-OE1 2.77Å; H76-E79 PolarHBondContact O-N 3.26Å; H76-A80 PolarHBondContact O-N 3.39Å |
| 77 | A | 88.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 2% | 0.017 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I40 F73 E74 E75 A80 L81 | I40-A77 HydrophobicContact CB-CB 4.12Å; I40-A77 HydrophobicContact CG1-CB 3.35Å; F73-A77 HydrophobicContact CB-CB 3.77Å; F73-A77 HydrophobicContact CG-CB 4.41Å; E74-A77 HydrophobicContact CG-CB 3.57Å; E74-A77 WeakPolarHBondContact O-CB 3.02Å; E74-A77 PolarHBondContact O-N 2.66Å; E75-A77 PolarHBondContact O-N 2.93Å; A77-A80 PolarHBondContact O-N 3.28Å; A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.33Å; A77-L81 PolarHBondContact O-N 3.28Å |
| 78 | V | 85.8 | Confident | 86.3 | Confident | 52 Ų | 52 | 71 Ų | 71 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59 | -48.4 | 177.9 | 161.6 | 0 | 0 | 0 | 0 | 109.8 | F73 H76 A80 L81 W82 L109 | F73-V78 HydrophobicContact CB-CG2 4.41Å; F73-V78 HydrophobicContact CD2-CG2 4.08Å; H76-V78 VanDerWaalsContact C-N 3.28Å; H76-V78 PolarHBondContact O-N 2.02Å; V78-A80 PolarHBondContact O-N 3.11Å; V78-L81 PolarHBondContact O-N 2.71Å; V78-W82 PolarHBondContact O-N 3.22Å; V78-L109 HydrophobicContact CB-CD1 4.19Å; V78-L109 HydrophobicContact CB-CD2 3.96Å; V78-L109 HydrophobicContact CG1-CB 4.33Å; V78-L109 HydrophobicContact CG1-CD1 3.09Å; V78-L109 HydrophobicContact CG1-CD2 3.61Å; V78-L109 HydrophobicContact CG1-CG 3.76Å; V78-L109 HydrophobicContact CG2-CD2 4.21Å; V78-L109 WeakPolarHBondContact O-CD1 3.47Å; V78-L109 WeakPolarHBondContact O-CD2 3.34Å |
| 79 | E | 84.8 | Confident | 85.7 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 43% | 0.425 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 177.6 | -63.7 | 92.9 | 133.2 | 0 | 0 | 112.7 | H76 K83 | H76-E79 VanDerWaalsContact CA-OE2 3.23Å; H76-E79 WeakPolarHBondContact CA-OE2 3.5Å; H76-E79 IonicContact ND1-OE1 2.77Å; H76-E79 PolarHBondContact O-N 3.26Å; E79-K83 WeakPolarHBondContact O-CG 3.48Å; E79-K83 PolarHBondContact O-N 3.46Å; E79-K83 VanDerWaalsContact O-N 3.11Å |
| 80 | A | 90.6 | Very high | 84.8 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L45 H76 A77 V78 K83 A84 | L45-A80 HydrophobicContact CD1-CB 4.49Å; L45-A80 HydrophobicContact CD2-CB 4.28Å; H76-A80 PolarHBondContact O-N 3.39Å; A77-A80 PolarHBondContact O-N 3.28Å; V78-A80 PolarHBondContact O-N 3.11Å; A80-K83 PolarHBondContact O-N 3.03Å; A80-A84 PolarHBondContact O-N 3.35Å; A80-A84 VanDerWaalsContact O-N 3.09Å |
| 81 | L | 90.8 | Very high | 83.2 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 175.9 | -72.9 | 173 | 0 | 0 | 0 | 111.7 | I40 I44 L45 L48 I64 A77 V78 K83 A84 V85 L109 | I40-L81 HydrophobicContact CD1-CD1 3.85Å; I40-L81 HydrophobicContact CD1-CD2 4.14Å; I40-L81 HydrophobicContact CD1-CG 4.16Å; I40-L81 HydrophobicContact CG1-CD1 4.14Å; I40-L81 HydrophobicContact CG1-CD2 4.48Å; I40-L81 HydrophobicContact CG1-CG 4.17Å; I40-L81 HydrophobicContact CG2-CD2 4.06Å; I40-L81 HydrophobicContact CG2-CG 4.34Å; I44-L81 HydrophobicContact CG2-CD2 4.49Å; L45-L81 HydrophobicContact CD2-CD2 4.48Å; L48-L81 HydrophobicContact CD1-CD2 3.44Å; L48-L81 VanDerWaalsContact CD1-CD2 3.44Å; I64-L81 HydrophobicContact CD1-CD2 3.8Å; I64-L81 HydrophobicContact CG2-CD1 3.73Å; I64-L81 HydrophobicContact CG2-CD2 4.46Å; A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.33Å; A77-L81 PolarHBondContact O-N 3.28Å; V78-L81 PolarHBondContact O-N 2.71Å; L81-K83 VanDerWaalsContact C-N 3.34Å; L81-K83 PolarHBondContact O-N 3.41Å; L81-A84 PolarHBondContact O-N 3.13Å; L81-A84 VanDerWaalsContact O-N 3.13Å; L81-V85 WeakPolarHBondContact O-CG2 3.42Å; L81-V85 PolarHBondContact O-N 3.42Å; L81-L109 HydrophobicContact CB-CD2 4.29Å |
| 82 | W | 86.6 | Confident | 81.8 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 31% | 0.307 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.3 | -47.5 | 177.5 | 176.7 | -100.2 | 0 | 0 | 0 | 111.8 | V78 A84 V85 A86 L89 R108 L109 | V78-W82 PolarHBondContact O-N 3.22Å; W82-A84 VanDerWaalsContact C-N 3.27Å; W82-A84 PolarHBondContact O-N 3.09Å; W82-V85 PolarHBondContact O-N 3.36Å; W82-A86 WeakPolarHBondContact O-CB 3.43Å; W82-A86 PolarHBondContact O-N 3.2Å; W82-L89 HydrophobicContact CE3-CD1 3.89Å; W82-L89 HydrophobicContact CH2-CD1 3.17Å; W82-L89 HydrophobicContact CZ2-CD1 3.96Å; W82-L89 HydrophobicContact CZ3-CD1 3.1Å; W82-R108 HydrophobicContact CH2-CB 3.82Å; W82-R108 HydrophobicContact CZ2-CB 4.11Å; W82-R108 HydrophobicContact CZ3-CB 4.09Å; W82-R108 WeakPolarHBondContact CZ3-O 3.35Å; W82-L109 HydrophobicContact CB-CD1 3.83Å; W82-L109 HydrophobicContact CB-CG 4.27Å; W82-L109 HydrophobicContact CE3-CG 4.47Å; W82-L109 HydrophobicContact CG-CD1 4.46Å |
| 83 | K | 87.1 | Confident | 80.2 | Confident | 165 Ų | 165 | 73 Ų | 73 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.7 | -38.4 | 177.1 | -73.2 | 172.1 | -177 | 174.4 | 0 | 112.1 | E79 A80 L81 V85 | E79-K83 WeakPolarHBondContact O-CG 3.48Å; E79-K83 PolarHBondContact O-N 3.46Å; E79-K83 VanDerWaalsContact O-N 3.11Å; A80-K83 PolarHBondContact O-N 3.03Å; L81-K83 VanDerWaalsContact C-N 3.34Å; L81-K83 PolarHBondContact O-N 3.41Å; K83-V85 VanDerWaalsContact C-N 3.29Å; K83-V85 PolarHBondContact O-N 2.95Å |
| 84 | A | 90.9 | Very high | 78.2 | Confident | 24 Ų | 24 | 75.5 Ų | 75.5 | 20% | 0.198 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.9 | -22 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L45 L48 R57 A80 L81 W82 | L45-A84 HydrophobicContact CD2-CB 4.15Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.41Å; R57-A84 PolarHBondContact NH2-O 2.94Å; A80-A84 PolarHBondContact O-N 3.35Å; A80-A84 VanDerWaalsContact O-N 3.09Å; L81-A84 PolarHBondContact O-N 3.13Å; L81-A84 VanDerWaalsContact O-N 3.13Å; W82-A84 VanDerWaalsContact C-N 3.27Å; W82-A84 PolarHBondContact O-N 3.09Å |
| 85 | V | 88.1 | Confident | 76.2 | Confident | 23 Ų | 23 | 78.1 Ų | 78.1 | 14% | 0.139 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -118.9 | 2.7 | -176.6 | -52.9 | 0 | 0 | 0 | 0 | 114 | L48 I61 L81 W82 K83 D87 L88 | L48-V85 HydrophobicContact CB-CG1 4.48Å; L48-V85 HydrophobicContact CD1-CG1 4.37Å; L48-V85 HydrophobicContact CD2-CG1 4.12Å; I61-V85 HydrophobicContact CD1-CB 4.42Å; I61-V85 HydrophobicContact CD1-CG1 3.89Å; I61-V85 HydrophobicContact CG1-CG1 4.11Å; L81-V85 WeakPolarHBondContact O-CG2 3.42Å; L81-V85 PolarHBondContact O-N 3.42Å; W82-V85 PolarHBondContact O-N 3.36Å; K83-V85 VanDerWaalsContact C-N 3.29Å; K83-V85 PolarHBondContact O-N 2.95Å; V85-D87 PolarHBondContact O-N 3.15Å; V85-L88 HydrophobicContact CB-CD1 4.27Å; V85-L88 VanDerWaalsContact O-CB 3.32Å; V85-L88 WeakPolarHBondContact O-CB 3.18Å; V85-L88 PolarHBondContact O-N 2.85Å |
| 86 | A | 85.1 | Confident | 74.6 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -59.7 | -30.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W82 L88 L89 | W82-A86 WeakPolarHBondContact O-CB 3.43Å; W82-A86 PolarHBondContact O-N 3.2Å; A86-L88 PolarHBondContact O-N 2.73Å; A86-L89 PolarHBondContact O-N 3.2Å; A86-L89 VanDerWaalsContact O-N 3.15Å |
| 87 | D | 84.1 | Confident | 72.7 | Confident | 68 Ų | 68 | 75 Ų | 75 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -62 | -31 | 175.2 | 66.1 | -61.1 | 0 | 0 | 0 | 112.4 | R57 V85 L89 | R57-D87 IonicContact CZ-OD1 3.65Å; R57-D87 IonicContact CZ-OD2 3.45Å; R57-D87 IonicContact NH1-OD1 3.71Å; R57-D87 IonicContact NH1-OD2 2.73Å; R57-D87 PolarHBondContact NH1-OD2 3.13Å; R57-D87 IonicContact NH2-OD1 2.66Å; R57-D87 PolarHBondContact NH2-OD1 3.34Å; R57-D87 IonicContact NH2-OD2 3.58Å; R57-D87 PolarHBondContact NH2-OD2 2.96Å; V85-D87 PolarHBondContact O-N 3.15Å; D87-L89 PolarHBondContact O-N 3.36Å |
| 88 | L | 81.9 | Confident | 70.9 | Confident | 30 Ų | 30 | 81.8 Ų | 81.8 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -69.2 | -16.9 | 178.8 | -59.2 | -178.6 | 0 | 0 | 0 | 112.7 | L54 I61 V85 A86 R93 | L54-L88 HydrophobicContact CD1-CD2 3.56Å; I61-L88 HydrophobicContact CD1-CD1 3.81Å; V85-L88 HydrophobicContact CB-CD1 4.27Å; V85-L88 VanDerWaalsContact O-CB 3.32Å; V85-L88 WeakPolarHBondContact O-CB 3.18Å; V85-L88 PolarHBondContact O-N 2.85Å; A86-L88 PolarHBondContact O-N 2.73Å; L88-R93 PolarHBondContact O-NH2 3.21Å |
| 89 | L | 72.7 | Confident | 68.9 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 40% | 0.403 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -103.2 | 0.7 | -171.5 | -55.8 | 176.7 | 0 | 0 | 0 | 114 | W82 A86 D87 | W82-L89 HydrophobicContact CE3-CD1 3.89Å; W82-L89 HydrophobicContact CH2-CD1 3.17Å; W82-L89 HydrophobicContact CZ2-CD1 3.96Å; W82-L89 HydrophobicContact CZ3-CD1 3.1Å; A86-L89 PolarHBondContact O-N 3.2Å; A86-L89 VanDerWaalsContact O-N 3.15Å; D87-L89 PolarHBondContact O-N 3.36Å |
| 90 | Q | 65.8 | Low | 67 | Low | 115 Ų | 115 | 90.8 Ų | 90.8 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | trans | -65.4 | 139 | -176.7 | -68.9 | -168.5 | -11.4 | 0 | 0 | 113 | E92 | Q90-E92 VanDerWaalsContact C-N 3.31Å; Q90-E92 WeakPolarHBondContact CB-OE2 3.31Å; Q90-E92 PolarHBondContact O-N 2.99Å | ||
| 91 | P | 50.4 | Low | 65.1 | Low | 61 Ų | 61 | 92.7 Ų | 92.7 | 40% | 0.396 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 6.6 | -168.2 | 32.9 | -36.8 | 0 | 0 | 0 | 115.9 | R93 R98 | P91-R93 PolarHBondContact O-N 2.98Å; P91-R93 VanDerWaalsContact O-N 3.07Å; P91-R98 HydrophobicContact CB-CG 4.36Å |
| 92 | E | 54 | Low | 62.9 | Low | 161 Ų | 161 | 101.5 Ų | 101.5 | 75% | 0.752 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -4.1 | 164.4 | -71.8 | 66.9 | -149 | 0 | 0 | 112 | Q90 | Q90-E92 VanDerWaalsContact C-N 3.31Å; Q90-E92 WeakPolarHBondContact CB-OE2 3.31Å; Q90-E92 PolarHBondContact O-N 2.99Å |
| 93 | R | 50.7 | Low | 60.9 | Low | 132 Ų | 132 | 99.2 Ų | 99.2 | 50% | 0.498 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -84.3 | 149.8 | 168.5 | -59.8 | -136.4 | -143.6 | -167.3 | 11.1 | 112.2 | L88 P91 | L88-R93 PolarHBondContact O-NH2 3.21Å; P91-R93 PolarHBondContact O-N 2.98Å; P91-R93 VanDerWaalsContact O-N 3.07Å |
| 94 | P | 45.6 | Very low | 58.8 | Low | 87 Ų | 87 | 95.4 Ų | 95.4 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | trans | -47.8 | 150.5 | -170.9 | -26.2 | 29.4 | 0 | 0 | 0 | 115.9 | E96 A97 | P94-E96 VanDerWaalsContact CB-OE2 3.29Å; P94-E96 WeakPolarHBondContact CB-OE2 3.32Å; P94-E96 PolarHBondContact O-N 3.11Å; P94-A97 WeakPolarHBondContact O-CB 2.84Å; P94-A97 PolarHBondContact O-N 3.39Å | ||
| 95 | L | 46.7 | Very low | 56.7 | Low | 116 Ų | 116 | 100.9 Ų | 100.9 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -53 | -24.8 | -171.9 | -168.8 | 67.7 | 0 | 0 | 0 | 114.7 | A97 R98 | L95-A97 PolarHBondContact O-N 2.91Å; L95-R98 HydrophobicContact CD1-CB 4.34Å; L95-R98 WeakPolarHBondContact O-CB 3.48Å; L95-R98 PolarHBondContact O-N 3.38Å |
| 96 | E | 50.1 | Low | 54.8 | Low | 157 Ų | 157 | 103.4 Ų | 103.4 | 73% | 0.734 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -62.8 | -23 | 174.8 | -53.1 | 97.2 | -168.8 | 0 | 0 | 113 | P94 | P94-E96 VanDerWaalsContact CB-OE2 3.29Å; P94-E96 WeakPolarHBondContact CB-OE2 3.32Å; P94-E96 PolarHBondContact O-N 3.11Å |
| 97 | A | 46.4 | Very low | 52.8 | Low | 52 Ų | 52 | 108.1 Ų | 108.1 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -81.3 | -14.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P94 L95 | P94-A97 WeakPolarHBondContact O-CB 2.84Å; P94-A97 PolarHBondContact O-N 3.39Å; L95-A97 PolarHBondContact O-N 2.91Å |
| 98 | R | 50.5 | Low | 51.2 | Low | 144 Ų | 144 | 110.2 Ų | 110.2 | 54% | 0.543 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -84.7 | -26.1 | -171.5 | -70.9 | 174.1 | 48 | 173.2 | -0.9 | 114 | P91 L95 R100 | P91-R98 HydrophobicContact CB-CG 4.36Å; L95-R98 HydrophobicContact CD1-CB 4.34Å; L95-R98 WeakPolarHBondContact O-CB 3.48Å; L95-R98 PolarHBondContact O-N 3.38Å; R98-R100 PolarHBondContact O-N 2.78Å; R98-R100 VanDerWaalsContact O-N 3.08Å |
| 99 | L | 43.9 | Very low | 49.5 | Very low | 167 Ų | 167 | 111 Ų | 111 | 87% | 0.874 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -73.8 | 5 | -178 | -76.3 | 167.5 | 0 | 0 | 0 | 115 | ||
| 100 | R | 46 | Very low | 48.4 | Very low | 165 Ų | 165 | 109.4 Ų | 109.4 | 62% | 0.623 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -110 | 7.8 | -178 | -84.6 | -175.1 | 168.6 | 115.7 | -3.8 | 114.9 | R98 V111 | R98-R100 PolarHBondContact O-N 2.78Å; R98-R100 VanDerWaalsContact O-N 3.08Å; R100-V111 HydrophobicContact CB-CG1 4.19Å; R100-V111 HydrophobicContact CG-CG1 4.15Å |
| 101 | Q | 50.5 | Low | 47.5 | Very low | 72 Ų | 72 | 106.8 Ų | 106.8 | 34% | 0.336 | 56% | 0.56 | S | S | . | * | trans | -107.1 | 3.2 | -162.1 | -61.9 | -169.6 | -8.6 | 0 | 0 | 116.3 | A103 R108 | Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 2.77Å; Q101-R108 VanDerWaalsContact O-CZ 3.25Å; Q101-R108 PolarHBondContact O-NE 3.07Å; Q101-R108 PolarHBondContact O-NH2 2.98Å | ||
| 102 | E | 44.7 | Very low | 47.1 | Very low | 198 Ų | 198 | 111.1 Ų | 111.1 | 93% | 0.925 | 57% | 0.574 | S | S | * | * | trans | -83.6 | 66.8 | 177.8 | -68 | -73.5 | 119.2 | 0 | 0 | 112 | ||||
| 103 | A | 44.8 | Very low | 46.5 | Very low | 32 Ų | 32 | 106 Ų | 106 | 26% | 0.264 | 56% | 0.556 | S | S | . | * | trans | -123.3 | 138.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q101 R108 | Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 2.77Å; A103-R108 HydrophobicContact CB-CG 3.96Å; A103-R108 PolarHBondContact O-NE 2.91Å; A103-R108 PolarHBondContact O-NH2 3.06Å | ||
| 104 | P | 41.7 | Very low | 46 | Very low | 85 Ų | 85 | 104.3 Ų | 104.3 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | trans | -70 | 164.9 | -175.8 | 27.4 | -32.8 | 0 | 0 | 0 | 113.2 | G106 Q107 | P104-G106 PolarHBondContact O-N 3.47Å; P104-Q107 PolarHBondContact O-N 3.3Å; P104-Q107 VanDerWaalsContact O-N 3.13Å | ||
| 105 | P | 48 | Very low | 45.7 | Very low | 140 Ų | 140 | 110.1 Ų | 110.1 | 91% | 0.909 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 2 | -157.6 | 24.6 | -33.8 | 0 | 0 | 0 | 116.7 | ||
| 106 | G | 48.1 | Very low | 45.6 | Very low | 76 Ų | 76 | 109.8 Ų | 109.8 | 78% | 0.784 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 2.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | P104 | P104-G106 PolarHBondContact O-N 3.47Š|
| 107 | Q | 43 | Very low | 45.4 | Very low | 136 Ų | 136 | 107.3 Ų | 107.3 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | trans | -133 | 11.3 | -170.4 | -79.4 | 179.4 | 62.2 | 0 | 0 | 115.6 | P104 L109 | P104-Q107 PolarHBondContact O-N 3.3Å; P104-Q107 VanDerWaalsContact O-N 3.13Å; Q107-L109 PolarHBondContact O-N 3.21Å | ||
| 108 | R | 49.8 | Very low | 45.3 | Very low | 111 Ų | 111 | 110.4 Ų | 110.4 | 42% | 0.419 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | 2.1 | -172.6 | -87.8 | -171.8 | -170.5 | -176.4 | 2.2 | 117.1 | W82 Q101 A103 C110 | W82-R108 HydrophobicContact CH2-CB 3.82Å; W82-R108 HydrophobicContact CZ2-CB 4.11Å; W82-R108 HydrophobicContact CZ3-CB 4.09Å; W82-R108 WeakPolarHBondContact CZ3-O 3.35Å; Q101-R108 VanDerWaalsContact O-CZ 3.25Å; Q101-R108 PolarHBondContact O-NE 3.07Å; Q101-R108 PolarHBondContact O-NH2 2.98Å; A103-R108 HydrophobicContact CB-CG 3.96Å; A103-R108 PolarHBondContact O-NE 2.91Å; A103-R108 PolarHBondContact O-NH2 3.06Å; R108-C110 PolarHBondContact O-N 3.02Å; R108-C110 VanDerWaalsContact O-N 3.11Å |
| 109 | L | 46.8 | Very low | 45 | Very low | 48 Ų | 48 | 108.4 Ų | 108.4 | 25% | 0.251 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -8.5 | 170.3 | -89.2 | 84.1 | 0 | 0 | 0 | 114 | V78 L81 W82 Q107 L114 | V78-L109 HydrophobicContact CB-CD1 4.19Å; V78-L109 HydrophobicContact CB-CD2 3.96Å; V78-L109 HydrophobicContact CG1-CB 4.33Å; V78-L109 HydrophobicContact CG1-CD1 3.09Å; V78-L109 HydrophobicContact CG1-CD2 3.61Å; V78-L109 HydrophobicContact CG1-CG 3.76Å; V78-L109 HydrophobicContact CG2-CD2 4.21Å; V78-L109 WeakPolarHBondContact O-CD1 3.47Å; V78-L109 WeakPolarHBondContact O-CD2 3.34Å; L81-L109 HydrophobicContact CB-CD2 4.29Å; W82-L109 HydrophobicContact CB-CD1 3.83Å; W82-L109 HydrophobicContact CB-CG 4.27Å; W82-L109 HydrophobicContact CE3-CG 4.47Å; W82-L109 HydrophobicContact CG-CD1 4.46Å; Q107-L109 PolarHBondContact O-N 3.21Å; L109-L114 HydrophobicContact CB-CD1 4Å |
| 110 | C | 49.7 | Very low | 45.1 | Very low | 43 Ų | 43 | 104.8 Ų | 104.8 | 29% | 0.291 | 56% | 0.556 | S | S | . | * | trans | -119.9 | 102.2 | -161.9 | -40.6 | 0 | 0 | 0 | 0 | 109 | R108 L114 | R108-C110 PolarHBondContact O-N 3.02Å; R108-C110 VanDerWaalsContact O-N 3.11Å; C110-L114 HydrophobicContact CB-CB 3.37Å; C110-L114 HydrophobicContact CB-CD1 4.5Å; C110-L114 HydrophobicContact CB-CG 4.49Å; C110-L114 WeakPolarHBondContact SG-CB 3.29Å; C110-L114 WeakPolarHBondContact SG-CD1 3.46Å | ||
| 111 | V | 46.2 | Very low | 45.1 | Very low | 60 Ų | 60 | 100.7 Ų | 100.7 | 36% | 0.364 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -130 | -19.7 | 144.6 | -164.4 | 0 | 0 | 0 | 0 | 112.1 | R100 Q115 | R100-V111 HydrophobicContact CB-CG1 4.19Å; R100-V111 HydrophobicContact CG-CG1 4.15Å; V111-Q115 PolarHBondContact O-NE2 3.08Å |
| 112 | H | 41.9 | Very low | 44.7 | Very low | 151 Ų | 151 | 102.8 Ų | 102.8 | 70% | 0.699 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -142.4 | -4.5 | 175.2 | -138.2 | -73.8 | 0 | 0 | 0 | 116.5 | ||
| 113 | C | 41.2 | Very low | 44.7 | Very low | 54 Ų | 54 | 95.5 Ų | 95.5 | 37% | 0.365 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -105.9 | -8.8 | 171.3 | -87.3 | 0 | 0 | 0 | 0 | 114.6 | C65 | C65-C113 HydrophobicContact CB-CB 3.72Å; C65-C113 WeakPolarHBondContact CB-SG 3.36Å; C65-C113 WeakPolarHBondContact SG-CB 3.49Å; C65-C113 CovalentContact SG-SG 2.02Å; C65-C113 PolarHBondContact SG-SG 3.21Å |
| 114 | L | 40.4 | Very low | 44.7 | Very low | 97 Ų | 97 | 100.8 Ų | 100.8 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | trans | -133.9 | 46 | 178.2 | -92.1 | 137.9 | 0 | 0 | 0 | 109 | L109 C110 | L109-L114 HydrophobicContact CB-CD1 4Å; C110-L114 HydrophobicContact CB-CB 3.37Å; C110-L114 HydrophobicContact CB-CD1 4.5Å; C110-L114 HydrophobicContact CB-CG 4.49Å; C110-L114 WeakPolarHBondContact SG-CB 3.29Å; C110-L114 WeakPolarHBondContact SG-CD1 3.46Å | ||
| 115 | Q | 39.1 | Very low | 44.9 | Very low | 208 Ų | 208 | 102.2 Ų | 102.2 | 97% | 0.972 | 56% | 0.563 | S | S | * | * | trans | -116.7 | 0 | 169.2 | -151 | 166.2 | 95.1 | 0 | 0 | 107.3 | V111 | V111-Q115 PolarHBondContact O-NE2 3.08Š|
Retrieved 115 of 115 residues in 20.9 ms
(Link to these results)