| 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 | 54.9 | Low | 59.7 | Low | 244 Ų | 244 | 150.5 Ų | 150.5 | 100% | 1.202 | 85% | 0.847 | S | S | * | * | 0 | 102.2 | 0 | -55.3 | -173.9 | -177.5 | 0 | 0 | 106 | |||||
| 2 | S | 46.8 | Very low | 59.7 | Low | 129 Ų | 129 | 147.7 Ų | 147.7 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | trans | -87.5 | 115.5 | -169.1 | -147.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | T | 60.2 | Low | 59.5 | Low | 129 Ų | 129 | 151.3 Ų | 151.3 | 79% | 0.791 | 84% | 0.841 | S | S | * | * | trans | -87.9 | 116 | 174.7 | 41 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | A | 62 | Low | 59.4 | Low | 95 Ų | 95 | 149.4 Ų | 149.4 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | -95 | 112.8 | 171 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 5 | C | 56.4 | Low | 59.5 | Low | 113 Ų | 113 | 147.3 Ų | 147.3 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | trans | -86 | 117.2 | 172.1 | -67.2 | 0 | 0 | 0 | 0 | 109.4 | I7 | C5-I7 PolarHBondContact O-N 3.09Š| ||
| 6 | L | 63.2 | Low | 59.3 | Low | 171 Ų | 171 | 142.7 Ų | 142.7 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -76 | 107 | 170.2 | -64.4 | 176.7 | 0 | 0 | 0 | 108.9 | V8 | L6-V8 PolarHBondContact O-N 3.44Š| ||
| 7 | I | 62.3 | Low | 58.7 | Low | 151 Ų | 151 | 141.3 Ų | 141.3 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | trans | -76.3 | 104.9 | 169 | -68.3 | 164.8 | 0 | 0 | 0 | 107.2 | C5 K9 | C5-I7 PolarHBondContact O-N 3.09Å; I7-K9 PolarHBondContact O-N 3.28Å | ||
| 8 | V | 65.4 | Low | 58.4 | Low | 133 Ų | 133 | 146.1 Ų | 146.1 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -71.7 | 117.4 | 167.9 | 105.2 | 0 | 0 | 0 | 0 | 107.4 | L6 Q10 | L6-V8 PolarHBondContact O-N 3.44Å; V8-Q10 PolarHBondContact O-N 3.4Å | ||
| 9 | K | 62.6 | Low | 57.7 | Low | 190 Ų | 190 | 143.9 Ų | 143.9 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -76.1 | 110.7 | 171 | -70.7 | -175.2 | 175.8 | -178.8 | 0 | 107.4 | I7 T11 | I7-K9 PolarHBondContact O-N 3.28Å; K9-T11 PolarHBondContact O-N 3.48Å; K9-T11 VanDerWaalsContact O-N 3.17Å | ||
| 10 | Q | 59.3 | Low | 57.1 | Low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -60 | 114.5 | 172.7 | -168.3 | 170.9 | 21.7 | 0 | 0 | 108.7 | V8 | V8-Q10 PolarHBondContact O-N 3.4Š| ||
| 11 | T | 64.1 | Low | 56.8 | Low | 116 Ų | 116 | 144 Ų | 144 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | trans | -63.3 | 132.6 | 170.5 | 49.6 | 0 | 0 | 0 | 0 | 108.4 | K9 F13 | K9-T11 PolarHBondContact O-N 3.48Å; K9-T11 VanDerWaalsContact O-N 3.17Å; T11-F13 PolarHBondContact O-N 3.31Å | ||
| 12 | P | 59.7 | Low | 56.3 | Low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -59.2 | 127.4 | 173.7 | 25.6 | -32.3 | 0 | 0 | 0 | 108 | V14 | P12-V14 VanDerWaalsContact C-N 3.35Å; P12-V14 PolarHBondContact O-N 3.37Å | ||
| 13 | F | 57.3 | Low | 56.7 | Low | 195 Ų | 195 | 138.2 Ų | 138.2 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -59.8 | 101 | 173.4 | -156.4 | -92.8 | 0 | 0 | 0 | 106.8 | T11 V15 | T11-F13 PolarHBondContact O-N 3.31Å; F13-V15 PolarHBondContact O-N 3.23Å | ||
| 14 | V | 57.1 | Low | 56.4 | Low | 124 Ų | 124 | 142.3 Ų | 142.3 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -65.1 | 106.1 | 169.4 | 177 | 0 | 0 | 0 | 0 | 104.8 | P12 A16 | P12-V14 VanDerWaalsContact C-N 3.35Å; P12-V14 PolarHBondContact O-N 3.37Å; V14-A16 VanDerWaalsContact C-N 3.31Å; V14-A16 PolarHBondContact O-N 3.23Å | ||
| 15 | V | 60.9 | Low | 56 | Low | 118 Ų | 118 | 145.7 Ų | 145.7 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | trans | -57.8 | 104.1 | 164.9 | 170.8 | 0 | 0 | 0 | 0 | 105.3 | F13 | F13-V15 PolarHBondContact O-N 3.23Š| ||
| 16 | A | 56.2 | Low | 56 | Low | 74 Ų | 74 | 147.5 Ų | 147.5 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 132.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | V14 R18 | V14-A16 VanDerWaalsContact C-N 3.31Å; V14-A16 PolarHBondContact O-N 3.23Å; A16-R18 PolarHBondContact O-N 3.03Å |
| 17 | P | 50 | Low | 55.7 | Low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 118.9 | 176.4 | 20.3 | -29.8 | 0 | 0 | 0 | 107.5 | P19 | P17-P19 WeakPolarHBondContact O-CD 3.38Š|
| 18 | R | 52.1 | Low | 55.5 | Low | 227 Ų | 227 | 142.9 Ų | 142.9 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 119.4 | 170.6 | -170.5 | -179.7 | -159.9 | -143.5 | 3.8 | 105.5 | A16 Q20 | A16-R18 PolarHBondContact O-N 3.03Å; R18-Q20 PolarHBondContact O-N 3.39Å |
| 19 | P | 45 | Very low | 55 | Low | 106 Ų | 106 | 147.5 Ų | 147.5 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | trans | -58.3 | 112.5 | 174.7 | 22.3 | -29.3 | 0 | 0 | 0 | 105.3 | P17 T21 | P17-P19 WeakPolarHBondContact O-CD 3.38Å; P19-T21 VanDerWaalsContact C-N 3.3Å; P19-T21 PolarHBondContact O-N 3.41Å | ||
| 20 | Q | 46.3 | Very low | 55 | Low | 178 Ų | 178 | 144.3 Ų | 144.3 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | -58.6 | 108.7 | 164 | -66.2 | -162.8 | 34.3 | 0 | 0 | 103.9 | R18 N22 | R18-Q20 PolarHBondContact O-N 3.39Å; Q20-N22 PolarHBondContact O-N 2.94Å | ||
| 21 | T | 50.4 | Low | 55.1 | Low | 112 Ų | 112 | 140.3 Ų | 140.3 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -69.6 | 79.1 | 176.6 | 51.8 | 0 | 0 | 0 | 0 | 106.3 | P19 D23 | P19-T21 VanDerWaalsContact C-N 3.3Å; P19-T21 PolarHBondContact O-N 3.41Å; T21-D23 PolarHBondContact O-N 3.04Å; T21-D23 VanDerWaalsContact O-N 3.1Å | ||
| 22 | N | 45.8 | Very low | 55 | Low | 93 Ų | 93 | 139.6 Ų | 139.6 | 50% | 0.497 | 71% | 0.706 | S | S | . | * | trans | -61.8 | 108.7 | 160.5 | -149.1 | -0.9 | 0 | 0 | 0 | 103.7 | Q20 R24 Y25 | Q20-N22 PolarHBondContact O-N 2.94Å; N22-R24 PolarHBondContact O-N 2.72Å; N22-Y25 HydrophobicContact CB-CD2 4.33Å; N22-Y25 HydrophobicContact CB-CE2 3.55Å; N22-Y25 WeakPolarHBondContact O-CD2 3.29Å; N22-Y25 WeakPolarHBondContact O-CE2 3.49Å | ||
| 23 | D | 54.2 | Low | 55.1 | Low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 21.9 | -177 | -71.1 | -44.5 | 0 | 0 | 0 | 113.8 | T21 | T21-D23 PolarHBondContact O-N 3.04Å; T21-D23 VanDerWaalsContact O-N 3.1Å |
| 24 | R | 54.4 | Low | 55.1 | Low | 215 Ų | 215 | 133.6 Ų | 133.6 | 81% | 0.811 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 10.1 | -170.8 | -60 | -170.9 | -172.9 | -156 | 2.9 | 113.4 | N22 D26 | N22-R24 PolarHBondContact O-N 2.72Å; R24-D26 PolarHBondContact O-N 3.25Å |
| 25 | Y | 53.5 | Low | 55.6 | Low | 167 Ų | 167 | 130.4 Ų | 130.4 | 66% | 0.655 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -82 | 107.2 | 162.6 | -53 | -68.4 | 0 | 0 | 0 | 106.4 | N22 S27 | N22-Y25 HydrophobicContact CB-CD2 4.33Å; N22-Y25 HydrophobicContact CB-CE2 3.55Å; N22-Y25 WeakPolarHBondContact O-CD2 3.29Å; N22-Y25 WeakPolarHBondContact O-CE2 3.49Å; Y25-S27 PolarHBondContact O-N 2.96Å |
| 26 | D | 55.5 | Low | 55.7 | Low | 151 Ų | 151 | 134.4 Ų | 134.4 | 81% | 0.807 | 67% | 0.668 | S | S | * | * | trans | -31.5 | 112.8 | 167.7 | -81.5 | -50.5 | 0 | 0 | 0 | 109.4 | R24 L28 | R24-D26 PolarHBondContact O-N 3.25Å; D26-L28 PolarHBondContact O-N 2.83Å | ||
| 27 | S | 57.4 | Low | 56 | Low | 84 Ų | 84 | 137.3 Ų | 137.3 | 59% | 0.587 | 67% | 0.667 | S | S | * | * | trans | -49.5 | 111.7 | -175.4 | -53.4 | 0 | 0 | 0 | 0 | 107.6 | Y25 W29 | Y25-S27 PolarHBondContact O-N 2.96Å; S27-W29 VanDerWaalsContact O-CA 3.24Å; S27-W29 WeakPolarHBondContact O-CA 3.33Å; S27-W29 PolarHBondContact O-N 3.28Å | ||
| 28 | L | 59.1 | Low | 56.5 | Low | 141 Ų | 141 | 134.4 Ų | 134.4 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | trans | -27.5 | 103.2 | 170.6 | -69.5 | 162.4 | 0 | 0 | 0 | 107.5 | D26 R30 | D26-L28 PolarHBondContact O-N 2.83Å; L28-R30 WeakPolarHBondContact O-CB 3.19Å; L28-R30 WeakPolarHBondContact O-CG 3.25Å; L28-R30 PolarHBondContact O-N 2.77Å | ||
| 29 | W | 54.4 | Low | 56.9 | Low | 230 Ų | 230 | 129 Ų | 129 | 87% | 0.871 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -47.4 | 101.4 | -159.4 | -101 | 75.7 | 0 | 0 | 0 | 110.2 | S27 | S27-W29 VanDerWaalsContact O-CA 3.24Å; S27-W29 WeakPolarHBondContact O-CA 3.33Å; S27-W29 PolarHBondContact O-N 3.28Å |
| 30 | R | 63.1 | Low | 57.5 | Low | 122 Ų | 122 | 131.6 Ų | 131.6 | 46% | 0.46 | 63% | 0.634 | S | S | . | * | trans | -125.9 | 87.6 | 179.1 | -76.9 | 167.4 | -177.2 | -83.7 | 1.5 | 105.8 | L28 W32 L33 | L28-R30 WeakPolarHBondContact O-CB 3.19Å; L28-R30 WeakPolarHBondContact O-CG 3.25Å; L28-R30 PolarHBondContact O-N 2.77Å; R30-W32 HydrophobicContact CB-CD2 4.24Å; R30-W32 HydrophobicContact CB-CZ2 4.11Å; R30-W32 HydrophobicContact CG-CH2 4.23Å; R30-W32 HydrophobicContact CG-CZ2 3.69Å; R30-W32 PolarHBondContact O-N 2.97Å; R30-L33 HydrophobicContact CB-CB 4.24Å; R30-L33 HydrophobicContact CB-CD1 3.76Å; R30-L33 HydrophobicContact CB-CG 3.69Å; R30-L33 VanDerWaalsContact CD-CD1 3.42Å; R30-L33 HydrophobicContact CG-CD1 4.24Å; R30-L33 HydrophobicContact CG-CG 4.46Å; R30-L33 PolarHBondContact O-N 3.43Å | ||
| 31 | P | 60.3 | Low | 58.1 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 66% | 0.662 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -16.2 | -178.6 | -27.9 | 34.6 | 0 | 0 | 0 | 114.8 | ||
| 32 | W | 61.5 | Low | 58.3 | Low | 101 Ų | 101 | 129.7 Ų | 129.7 | 38% | 0.383 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.2 | -5.6 | -178.8 | 61 | 86.2 | 0 | 0 | 0 | 115.1 | R30 T34 F75 | R30-W32 HydrophobicContact CB-CD2 4.24Å; R30-W32 HydrophobicContact CB-CZ2 4.11Å; R30-W32 HydrophobicContact CG-CH2 4.23Å; R30-W32 HydrophobicContact CG-CZ2 3.69Å; R30-W32 PolarHBondContact O-N 2.97Å; W32-T34 PolarHBondContact O-N 2.92Å; W32-F75 HydrophobicContact CB-CE1 4.47Å; W32-F75 HydrophobicContact CB-CE2 3.59Å; W32-F75 HydrophobicContact CB-CZ 3.42Å; W32-F75 VanDerWaalsContact CB-CZ 3.42Å; W32-F75 AromaticContact CD1-CZ 3.8Å; W32-F75 HydrophobicContact CG-CE1 4.42Å; W32-F75 HydrophobicContact CG-CE2 4.21Å; W32-F75 AromaticContact CG-CZ 3.77Å; W32-F75 HydrophobicContact CG-CZ 3.77Å |
| 33 | L | 62.2 | Low | 58.5 | Low | 91 Ų | 91 | 130.3 Ų | 130.3 | 48% | 0.476 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -78.2 | 108.1 | 168.1 | -71.4 | -177.8 | 0 | 0 | 0 | 107.7 | R30 T35 | R30-L33 HydrophobicContact CB-CB 4.24Å; R30-L33 HydrophobicContact CB-CD1 3.76Å; R30-L33 HydrophobicContact CB-CG 3.69Å; R30-L33 VanDerWaalsContact CD-CD1 3.42Å; R30-L33 HydrophobicContact CG-CD1 4.24Å; R30-L33 HydrophobicContact CG-CG 4.46Å; R30-L33 PolarHBondContact O-N 3.43Å; L33-T35 PolarHBondContact O-N 3.44Å |
| 34 | T | 58.8 | Low | 58.3 | Low | 93 Ų | 93 | 130.1 Ų | 130.1 | 57% | 0.571 | 62% | 0.616 | S | S | * | * | trans | -62.7 | 107.3 | 178.6 | -33.1 | 0 | 0 | 0 | 0 | 109 | W32 D38 M39 | W32-T34 PolarHBondContact O-N 2.92Å; T34-D38 HydrophobicContact CG2-CB 4.25Å; T34-M39 HydrophobicContact CG2-CG 4.22Å | ||
| 35 | T | 66.6 | Low | 58.2 | Low | 58 Ų | 58 | 128.4 Ų | 128.4 | 36% | 0.356 | 61% | 0.61 | S | S | . | * | trans | -83.4 | 159.2 | 172.9 | 71.1 | 0 | 0 | 0 | 0 | 109.5 | L33 K37 D38 M39 | L33-T35 PolarHBondContact O-N 3.44Å; T35-K37 PolarHBondContact O-N 3.4Å; T35-K37 PolarHBondContact OG1-N 3.21Å; T35-D38 WeakPolarHBondContact CB-OD2 3.15Å; T35-D38 PolarHBondContact N-OD2 3.24Å; T35-D38 PolarHBondContact O-N 3.02Å; T35-D38 VanDerWaalsContact OG1-CG 3.27Å; T35-D38 PolarHBondContact OG1-N 3.07Å; T35-D38 PolarHBondContact OG1-OD2 3.06Å; T35-M39 PolarHBondContact O-N 3.45Å | ||
| 36 | K | 63.3 | Low | 58.3 | Low | 201 Ų | 201 | 124.5 Ų | 124.5 | 87% | 0.874 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -55.1 | -24.6 | 174.2 | -65.5 | -177.1 | 179.7 | 178.3 | 0 | 112.5 | ||
| 37 | K | 62.2 | Low | 58.1 | Low | 136 Ų | 136 | 128.2 Ų | 128.2 | 59% | 0.591 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.9 | -28.3 | 176.3 | -170.9 | 177.6 | 179.3 | 177.9 | 0 | 112.8 | T35 | T35-K37 PolarHBondContact O-N 3.4Å; T35-K37 PolarHBondContact OG1-N 3.21Å |
| 38 | D | 61.4 | Low | 57.8 | Low | 57 Ų | 57 | 132.5 Ų | 132.5 | 31% | 0.305 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -77.5 | -35.5 | 179.4 | -60.5 | -46 | 0 | 0 | 0 | 112.1 | T34 T35 Q40 R41 E42 | T34-D38 HydrophobicContact CG2-CB 4.25Å; T35-D38 WeakPolarHBondContact CB-OD2 3.15Å; T35-D38 PolarHBondContact N-OD2 3.24Å; T35-D38 PolarHBondContact O-N 3.02Å; T35-D38 VanDerWaalsContact OG1-CG 3.27Å; T35-D38 PolarHBondContact OG1-N 3.07Å; T35-D38 PolarHBondContact OG1-OD2 3.06Å; D38-Q40 PolarHBondContact O-N 3.37Å; D38-Q40 VanDerWaalsContact O-N 3.13Å; D38-R41 CarbonylContact O-C 3.59Å; D38-R41 WeakPolarHBondContact O-CA 3.46Å; D38-R41 PolarHBondContact O-N 3.04Å; D38-E42 PolarHBondContact O-N 3.41Å |
| 39 | M | 59.2 | Low | 57.3 | Low | 115 Ų | 115 | 129.3 Ų | 129.3 | 57% | 0.567 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -53.2 | -34.5 | 172.7 | -76.3 | -100.3 | 70.2 | 0 | 0 | 112.8 | T34 T35 | T34-M39 HydrophobicContact CG2-CG 4.22Å; T35-M39 PolarHBondContact O-N 3.45Å |
| 40 | Q | 58 | Low | 56.9 | Low | 159 Ų | 159 | 121.7 Ų | 121.7 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.8 | -24.8 | 177.8 | -168.4 | 171.5 | -18.8 | 0 | 0 | 113 | D38 | D38-Q40 PolarHBondContact O-N 3.37Å; D38-Q40 VanDerWaalsContact O-N 3.13Å |
| 41 | R | 58.3 | Low | 56.4 | Low | 138 Ų | 138 | 121.5 Ų | 121.5 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -87.3 | -25.8 | 178.8 | -69.1 | 178.5 | 171.1 | -157.6 | -6.9 | 112.6 | D38 Q44 R45 | D38-R41 CarbonylContact O-C 3.59Å; D38-R41 WeakPolarHBondContact O-CA 3.46Å; D38-R41 PolarHBondContact O-N 3.04Å; R41-Q44 PolarHBondContact O-N 3.43Å; R41-Q44 VanDerWaalsContact O-N 3.1Å; R41-R45 PolarHBondContact O-N 3.47Å |
| 42 | E | 55.3 | Low | 55.4 | Low | 112 Ų | 112 | 126.9 Ų | 126.9 | 52% | 0.523 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66 | -36.2 | 179.1 | -161.5 | 137.4 | -142.1 | 0 | 0 | 112.3 | D38 Q44 R45 S46 | D38-E42 PolarHBondContact O-N 3.41Å; E42-Q44 PolarHBondContact O-N 3.19Å; E42-R45 PolarHBondContact O-N 3.28Å; E42-S46 WeakPolarHBondContact O-CB 3.29Å; E42-S46 PolarHBondContact O-N 3.48Å; E42-S46 VanDerWaalsContact O-N 3.08Å |
| 43 | C | 49.6 | Very low | 54.8 | Low | 107 Ų | 107 | 126.5 Ų | 126.5 | 72% | 0.723 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61 | -25.3 | 171.1 | -68.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 44 | Q | 50.7 | Low | 54 | Low | 153 Ų | 153 | 132.7 Ų | 132.7 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -90 | -38.3 | 176.8 | -69.5 | -173.2 | -9.5 | 0 | 0 | 112.2 | R41 E42 | R41-Q44 PolarHBondContact O-N 3.43Å; R41-Q44 VanDerWaalsContact O-N 3.1Å; E42-Q44 PolarHBondContact O-N 3.19Å |
| 45 | R | 52.9 | Low | 53.2 | Low | 179 Ų | 179 | 133.9 Ų | 133.9 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75 | -23.4 | -178.3 | -71.5 | -178.6 | 74.5 | -170.7 | 3.2 | 114.4 | R41 E42 R47 E48 S49 | R41-R45 PolarHBondContact O-N 3.47Å; E42-R45 PolarHBondContact O-N 3.28Å; R45-R47 PolarHBondContact O-N 3.2Å; R45-E48 PolarHBondContact O-N 3.38Å; R45-S49 PolarHBondContact O-N 3Å; R45-S49 PolarHBondContact O-OG 3.47Å |
| 46 | S | 54.8 | Low | 52.2 | Low | 84 Ų | 84 | 137.3 Ų | 137.3 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -18.2 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 114.3 | E42 | E42-S46 WeakPolarHBondContact O-CB 3.29Å; E42-S46 PolarHBondContact O-N 3.48Å; E42-S46 VanDerWaalsContact O-N 3.08Å |
| 47 | R | 51.8 | Low | 51.3 | Low | 230 Ų | 230 | 135 Ų | 135 | 87% | 0.868 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -15.9 | 178.3 | -66.2 | 179.8 | 92 | 152.6 | 3.3 | 113.8 | R45 | R45-R47 PolarHBondContact O-N 3.2Š|
| 48 | E | 50.1 | Low | 50.8 | Low | 173 Ų | 173 | 133.4 Ų | 133.4 | 81% | 0.808 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | -13.2 | -169 | -61.8 | -179.1 | 170.7 | 0 | 0 | 113.3 | R45 | R45-E48 PolarHBondContact O-N 3.38Š|
| 49 | S | 49.5 | Very low | 49.8 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 52% | 0.517 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -91.9 | 2.8 | -171.8 | 61.9 | 0 | 0 | 0 | 0 | 115.8 | R45 P51 | R45-S49 PolarHBondContact O-N 3Å; R45-S49 PolarHBondContact O-OG 3.47Å; S49-P51 WeakPolarHBondContact O-CD 3.4Å |
| 50 | C | 46.2 | Very low | 49.2 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 48% | 0.48 | 71% | 0.712 | S | S | . | * | trans | -114.1 | 82.5 | -177.2 | -60.2 | 0 | 0 | 0 | 0 | 111 | Y52 S53 | C50-Y52 PolarHBondContact O-N 3.19Å; C50-S53 WeakPolarHBondContact CB-OG 3.18Å; C50-S53 PolarHBondContact O-N 3.13Å | ||
| 51 | P | 51.4 | Low | 48.7 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -4.7 | 177.2 | 25.9 | -32.3 | 0 | 0 | 0 | 113.7 | S49 | S49-P51 WeakPolarHBondContact O-CD 3.4Š|
| 52 | Y | 39.1 | Very low | 47.7 | Very low | 215 Ų | 215 | 132.1 Ų | 132.1 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 8.8 | -179.4 | -70.3 | -79 | 0 | 0 | 0 | 115 | C50 R54 | C50-Y52 PolarHBondContact O-N 3.19Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 3.37Å |
| 53 | S | 48.6 | Very low | 47.3 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | -71.3 | 87.3 | 173.2 | -69.6 | 0 | 0 | 0 | 0 | 110.2 | C50 | C50-S53 WeakPolarHBondContact CB-OG 3.18Å; C50-S53 PolarHBondContact O-N 3.13Å | ||
| 54 | R | 45.6 | Very low | 47 | Very low | 222 Ų | 222 | 131 Ų | 131 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 136.9 | 167.4 | -175.1 | 174.3 | -101.2 | -108.7 | 1.7 | 108.6 | Y52 T56 | Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 3.37Å; R54-T56 PolarHBondContact O-N 3.37Å |
| 55 | P | 43.5 | Very low | 46.9 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 126.1 | 175.3 | -18.2 | 30 | 0 | 0 | 0 | 109.4 | ||
| 56 | T | 45.6 | Very low | 46.6 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -78 | 118.5 | 179 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | R54 | R54-T56 PolarHBondContact O-N 3.37Š|
| 57 | D | 43.2 | Very low | 45.9 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -112.1 | 104.5 | 151.7 | -79.9 | -34.8 | 0 | 0 | 0 | 107.9 | ||||
| 58 | S | 51 | Low | 45.6 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 41.7 | 107.4 | 149.4 | 56.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 59 | T | 41 | Very low | 45.2 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | -170.5 | 141.4 | 142.9 | -65.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 60 | P | 47.4 | Very low | 45.1 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | trans | -87.3 | 145.4 | -162.4 | 33.7 | -32.8 | 0 | 0 | 0 | 115 | ||||
| 61 | A | 47.2 | Very low | 45 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 42.4 | 96.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 62 | A | 36.5 | Very low | 44.7 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -82.3 | 130.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G64 | A62-G64 PolarHBondContact O-N 3.47Š| ||
| 63 | P | 48.1 | Very low | 45.1 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -80.4 | 111.8 | 178.4 | 31.5 | -29.1 | 0 | 0 | 0 | 108.9 | ||
| 64 | G | 43.4 | Very low | 45.4 | Very low | 61 Ų | 61 | 128.4 Ų | 128.4 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | -179.6 | -12.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | A62 F66 | A62-G64 PolarHBondContact O-N 3.47Å; G64-F66 PolarHBondContact O-N 3.28Å | ||
| 65 | L | 47.4 | Very low | 45.6 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -89.5 | 103.8 | 171.7 | -75.3 | 93.1 | 0 | 0 | 0 | 109.7 | ||||
| 66 | F | 46.6 | Very low | 46.1 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -51.6 | 130.2 | 165 | -64.3 | -84 | 0 | 0 | 0 | 109.5 | G64 F68 | G64-F66 PolarHBondContact O-N 3.28Å; F66-F68 PolarHBondContact O-N 3.42Å | ||
| 67 | P | 40 | Very low | 46.4 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | -68.2 | 103.7 | 170.3 | 27.4 | -30.6 | 0 | 0 | 0 | 107.8 | N69 | P67-N69 VanDerWaalsContact C-N 3.32Å; P67-N69 PolarHBondContact O-N 3.2Å | ||
| 68 | F | 46.9 | Very low | 47.5 | Very low | 140 Ų | 140 | 117.7 Ų | 117.7 | 61% | 0.614 | 70% | 0.702 | S | S | * | * | trans | -66.5 | 95.5 | 171.9 | -176.2 | -102.9 | 0 | 0 | 0 | 108.5 | F66 G70 K71 | F66-F68 PolarHBondContact O-N 3.42Å; F68-G70 PolarHBondContact O-N 3.04Å; F68-K71 WeakPolarHBondContact CE1-O 3.41Å; F68-K71 WeakPolarHBondContact CZ-O 3.17Å | ||
| 69 | N | 41.7 | Very low | 48.6 | Very low | 121 Ų | 121 | 114.9 Ų | 114.9 | 65% | 0.647 | 68% | 0.681 | S | S | * | * | trans | -60.6 | 101.3 | 175.8 | 174.8 | 10.1 | 0 | 0 | 0 | 110.6 | P67 K71 | P67-N69 VanDerWaalsContact C-N 3.32Å; P67-N69 PolarHBondContact O-N 3.2Å; N69-K71 PolarHBondContact O-N 3.29Å | ||
| 70 | G | 46.7 | Very low | 50.5 | Low | 75 Ų | 75 | 115.4 Ų | 115.4 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 55.8 | 2.3 | 135.8 | 0 | 0 | 0 | 0 | 0 | 121 | F68 | F68-G70 PolarHBondContact O-N 3.04Š|
| 71 | K | 43.3 | Very low | 52.1 | Low | 148 Ų | 148 | 112.2 Ų | 112.2 | 64% | 0.643 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -115.2 | 108.2 | -174.9 | -62.7 | 172.5 | -174.5 | 176.1 | 0 | 108.6 | F68 N69 Q73 | F68-K71 WeakPolarHBondContact CE1-O 3.41Å; F68-K71 WeakPolarHBondContact CZ-O 3.17Å; N69-K71 PolarHBondContact O-N 3.29Å; K71-Q73 PolarHBondContact O-N 3.34Å |
| 72 | S | 45.8 | Very low | 53.8 | Low | 112 Ų | 112 | 113 Ų | 113 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | trans | 14.5 | 95.6 | 167.6 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | S74 | S72-S74 VanDerWaalsContact C-N 3.31Å; S72-S74 PolarHBondContact O-N 3.33Å | ||
| 73 | Q | 48.7 | Very low | 56.3 | Low | 161 Ų | 161 | 109.5 Ų | 109.5 | 75% | 0.752 | 60% | 0.597 | S | S | * | * | trans | -44.3 | 96.4 | 176.1 | -173.2 | 171 | -8.7 | 0 | 0 | 109.2 | K71 F75 | K71-Q73 PolarHBondContact O-N 3.34Å; Q73-F75 PolarHBondContact O-N 3.05Å | ||
| 74 | S | 54.8 | Low | 58.2 | Low | 95 Ų | 95 | 103.4 Ų | 103.4 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | trans | -64.7 | 124.4 | 175.9 | 46.4 | 0 | 0 | 0 | 0 | 105 | S72 Q76 | S72-S74 VanDerWaalsContact C-N 3.31Å; S72-S74 PolarHBondContact O-N 3.33Å; S74-Q76 PolarHBondContact O-N 3.07Å | ||
| 75 | F | 49.2 | Very low | 60.1 | Low | 115 Ų | 115 | 105 Ų | 105 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | trans | -34.2 | 108.9 | -177.2 | 175.2 | -103 | 0 | 0 | 0 | 112.1 | W32 Q73 H77 | W32-F75 HydrophobicContact CB-CE1 4.47Å; W32-F75 HydrophobicContact CB-CE2 3.59Å; W32-F75 HydrophobicContact CB-CZ 3.42Å; W32-F75 VanDerWaalsContact CB-CZ 3.42Å; W32-F75 AromaticContact CD1-CZ 3.8Å; W32-F75 HydrophobicContact CG-CE1 4.42Å; W32-F75 HydrophobicContact CG-CE2 4.21Å; W32-F75 AromaticContact CG-CZ 3.77Å; W32-F75 HydrophobicContact CG-CZ 3.77Å; Q73-F75 PolarHBondContact O-N 3.05Å; F75-H77 HydrophobicContact CD1-CB 4.18Å; F75-H77 HydrophobicContact CE1-CB 3.68Å; F75-H77 HydrophobicContact CZ-CB 4.48Å; F75-H77 PolarHBondContact O-N 3.32Å; F75-H77 VanDerWaalsContact O-N 3.14Å | ||
| 76 | Q | 54.1 | Low | 62 | Low | 165 Ų | 165 | 100.9 Ų | 100.9 | 77% | 0.771 | 53% | 0.532 | S | S | * | . | trans | -79.5 | 97.3 | 175 | -174.9 | 173.4 | -2.5 | 0 | 0 | 106.7 | S74 | S74-Q76 PolarHBondContact O-N 3.07Š| ||
| 77 | H | 51.9 | Low | 63.8 | Low | 25 Ų | 25 | 97 Ų | 97 | 12% | 0.116 | 52% | 0.515 | C | S | . | . | trans | -59.7 | 149.2 | 179.8 | 114.2 | -75.9 | 0 | 0 | 0 | 110.5 | F75 V79 R80 Q106 A107 T108 | F75-H77 HydrophobicContact CD1-CB 4.18Å; F75-H77 HydrophobicContact CE1-CB 3.68Å; F75-H77 HydrophobicContact CZ-CB 4.48Å; F75-H77 PolarHBondContact O-N 3.32Å; F75-H77 VanDerWaalsContact O-N 3.14Å; H77-V79 VanDerWaalsContact C-N 3.27Å; H77-V79 PolarHBondContact CE1-O 3.2Å; H77-V79 VanDerWaalsContact NE2-C 3.25Å; H77-V79 PolarHBondContact NE2-N 3.44Å; H77-V79 PolarHBondContact NE2-O 2.82Å; H77-V79 PolarHBondContact O-N 3.37Å; H77-V79 VanDerWaalsContact O-N 3.09Å; H77-R80 WeakPolarHBondContact CE1-CA 3.11Å; H77-R80 PolarHBondContact CE1-N 3.19Å; H77-R80 PolarHBondContact ND1-N 3.35Å; H77-Q106 PolarHBondContact CD2-O 2.58Å; H77-Q106 PolarHBondContact NE2-O 3.49Å; H77-A107 VanDerWaalsContact NE2-C 3.35Å; H77-A107 VanDerWaalsContact NE2-CA 3.32Å; H77-A107 WeakPolarHBondContact NE2-CA 3.16Å; H77-T108 PolarHBondContact CD2-OG1 3.47Å; H77-T108 WeakPolarHBondContact CE1-CB 3.43Å; H77-T108 PolarHBondContact CE1-N 2.96Å; H77-T108 PolarHBondContact CE1-OG1 3.29Å; H77-T108 VanDerWaalsContact CE1-OG1 3.25Å; H77-T108 PolarHBondContact ND1-OG1 3.34Å; H77-T108 PolarHBondContact NE2-N 2.91Å; H77-T108 PolarHBondContact NE2-OG1 3.36Å | ||
| 78 | P | 66.9 | Low | 65.9 | Low | 93 Ų | 93 | 91.9 Ų | 91.9 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.3 | -163.9 | 20.8 | -32.7 | 0 | 0 | 0 | 115.7 | V105 | P78-V105 HydrophobicContact CB-CG1 4.47Å; P78-V105 HydrophobicContact CG-CG1 3.6Å |
| 79 | V | 72.9 | Confident | 67.7 | Low | 44 Ų | 44 | 91.8 Ų | 91.8 | 27% | 0.267 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.6 | 72.4 | -177.2 | -172.1 | 0 | 0 | 0 | 0 | 112.9 | H77 L81 L99 | H77-V79 VanDerWaalsContact C-N 3.27Å; H77-V79 PolarHBondContact CE1-O 3.2Å; H77-V79 VanDerWaalsContact NE2-C 3.25Å; H77-V79 PolarHBondContact NE2-N 3.44Å; H77-V79 PolarHBondContact NE2-O 2.82Å; H77-V79 PolarHBondContact O-N 3.37Å; H77-V79 VanDerWaalsContact O-N 3.09Å; V79-L81 HydrophobicContact CG1-CD2 4.09Å; V79-L81 HydrophobicContact CG1-CG 4.25Å; V79-L81 PolarHBondContact O-N 2.92Å; V79-L99 HydrophobicContact CG1-CD1 4.46Å |
| 80 | R | 80.4 | Confident | 69.8 | Low | 150 Ų | 150 | 91.2 Ų | 91.2 | 57% | 0.566 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 107.7 | 178.7 | -166.9 | 170.3 | 157.8 | 178.4 | -10.4 | 111.4 | H77 F82 S110 | H77-R80 WeakPolarHBondContact CE1-CA 3.11Å; H77-R80 PolarHBondContact CE1-N 3.19Å; H77-R80 PolarHBondContact ND1-N 3.35Å; R80-F82 HydrophobicContact CG-CE2 3.93Å; R80-F82 HydrophobicContact CG-CZ 4.23Å; R80-S110 PolarHBondContact NE-OG 2.8Å; R80-S110 VanDerWaalsContact NE-OG 3.15Å |
| 81 | L | 80.9 | Confident | 71.6 | Confident | 48 Ų | 48 | 91.6 Ų | 91.6 | 25% | 0.251 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143.2 | 177.2 | -58.3 | -179.6 | 0 | 0 | 0 | 109.7 | V79 W83 L99 T108 S110 | V79-L81 HydrophobicContact CG1-CD2 4.09Å; V79-L81 HydrophobicContact CG1-CG 4.25Å; V79-L81 PolarHBondContact O-N 2.92Å; L81-W83 HydrophobicContact CD1-CZ2 4.44Å; L81-L99 HydrophobicContact CD1-CD1 4.24Å; L81-L99 HydrophobicContact CD1-CD2 3.52Å; L81-T108 PolarHBondContact N-O 3.46Å; L81-S110 PolarHBondContact O-N 2.77Å |
| 82 | F | 83.7 | Confident | 73.5 | Confident | 113 Ų | 113 | 88.1 Ų | 88.1 | 50% | 0.496 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.2 | 174.4 | -70.9 | -93.6 | 0 | 0 | 0 | 108.4 | R80 S110 Y112 | R80-F82 HydrophobicContact CG-CE2 3.93Å; R80-F82 HydrophobicContact CG-CZ 4.23Å; F82-S110 CarbonylContact C-O 3.58Å; F82-S110 VanDerWaalsContact CA-O 3.24Å; F82-S110 WeakPolarHBondContact CA-O 3.13Å; F82-Y112 HydrophobicContact CB-CD1 4.22Å |
| 83 | W | 88.6 | Confident | 75.1 | Confident | 17 Ų | 17 | 91 Ų | 91 | 6% | 0.064 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.2 | 177 | -69.3 | -15.9 | 0 | 0 | 0 | 110.9 | L81 Y91 L92 D95 I109 S110 F111 Y112 | L81-W83 HydrophobicContact CD1-CZ2 4.44Å; W83-Y91 HydrophobicContact CG-CD2 4.43Å; W83-Y91 WeakPolarHBondContact CH2-O 3.23Å; W83-Y91 WeakPolarHBondContact CZ2-O 3.24Å; W83-L92 HydrophobicContact CH2-CB 4.17Å; W83-L92 HydrophobicContact CH2-CD1 3.95Å; W83-L92 HydrophobicContact CZ3-CB 3.6Å; W83-L92 HydrophobicContact CZ3-CD1 3.57Å; W83-L92 HydrophobicContact CZ3-CG 4.18Å; W83-D95 HydrophobicContact CZ2-CB 4.45Å; W83-I109 HydrophobicContact CB-CG2 4.45Å; W83-I109 HydrophobicContact CD2-CG2 3.82Å; W83-I109 HydrophobicContact CE3-CD1 4.36Å; W83-I109 HydrophobicContact CE3-CG2 3.65Å; W83-I109 HydrophobicContact CG-CG2 4.2Å; W83-I109 HydrophobicContact CH2-CD1 3.64Å; W83-I109 HydrophobicContact CH2-CG1 4.35Å; W83-I109 HydrophobicContact CZ2-CD1 4.32Å; W83-I109 HydrophobicContact CZ3-CD1 3.69Å; W83-I109 HydrophobicContact CZ3-CG1 4.43Å; W83-I109 HydrophobicContact CZ3-CG2 4.1Å; W83-S110 PolarHBondContact N-O 3.08Å; W83-F111 HydrophobicContact CB-CD1 4.18Å; W83-F111 HydrophobicContact CB-CE1 4.24Å; W83-F111 HydrophobicContact CE3-CE1 4.22Å; W83-F111 WeakPolarHBondContact O-CA 3.43Å; W83-Y112 VanDerWaalsContact C-CE1 3.47Å; W83-Y112 WeakPolarHBondContact O-CD1 3.39Å; W83-Y112 PolarHBondContact O-N 3.05Å; W83-Y112 VanDerWaalsContact O-N 3.09Å |
| 84 | P | 87.8 | Confident | 76.7 | Confident | 7 Ų | 7 | 86 Ų | 86 | 5% | 0.045 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 140.6 | 170.6 | 27.7 | -32.9 | 0 | 0 | 0 | 109.8 | S86 K87 S88 Y91 Y112 E114 | P84-S86 VanDerWaalsContact C-N 3.33Å; P84-S86 PolarHBondContact O-N 3.23Å; P84-K87 HydrophobicContact CG-CB 4.24Å; P84-K87 PolarHBondContact O-N 2.8Å; P84-S88 WeakPolarHBondContact O-CA 3.32Å; P84-S88 WeakPolarHBondContact O-CB 3.35Å; P84-S88 PolarHBondContact O-N 3.34Å; P84-Y91 HydrophobicContact CG-CD2 4.37Å; P84-Y91 HydrophobicContact CG-CE2 3.8Å; P84-Y112 HydrophobicContact CB-CE1 4.19Å; P84-Y112 HydrophobicContact CB-CE2 4.25Å; P84-E114 HydrophobicContact CB-CG 3.78Å; P84-E114 WeakPolarHBondContact CB-OE1 3.38Å |
| 85 | K | 84.9 | Confident | 77.9 | Confident | 95 Ų | 95 | 85.4 Ų | 85.4 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -61.4 | -42.4 | -179.9 | -82.6 | 177.1 | 164.4 | -170.9 | 0 | 112.5 | K87 S88 F111 Y112 E113 | K85-K87 VanDerWaalsContact C-N 3.31Å; K85-K87 PolarHBondContact O-N 3.04Å; K85-S88 WeakPolarHBondContact O-CB 3.16Å; K85-S88 PolarHBondContact O-N 3.47Å; K85-S88 PolarHBondContact O-OG 3.34Å; K85-F111 HydrophobicContact CD-CB 4.3Å; K85-F111 HydrophobicContact CG-CB 3.57Å; K85-F111 HydrophobicContact CG-CG 4.34Å; K85-Y112 PolarHBondContact N-O 3.22Å; K85-E113 HydrophobicContact CD-CG 4.26Å; K85-E113 WeakPolarHBondContact CD-OE1 3.42Å; K85-E113 WeakPolarHBondContact CD-OE2 3.32Å; K85-E113 WeakPolarHBondContact CE-OE1 3.12Å; K85-E113 IonicContact NZ-OE1 2.58Å; K85-E113 PolarHBondContact NZ-OE1 3.25Å |
| 86 | S | 86.3 | Confident | 79.4 | Confident | 81 Ų | 81 | 80.3 Ų | 80.3 | 57% | 0.566 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -45.2 | 178.8 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | P84 E114 | P84-S86 VanDerWaalsContact C-N 3.33Å; P84-S86 PolarHBondContact O-N 3.23Å; S86-E114 PolarHBondContact OG-OE2 3.44Å |
| 87 | K | 83.5 | Confident | 80.6 | Confident | 109 Ų | 109 | 77.7 Ų | 77.7 | 47% | 0.474 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 18.9 | -175 | -59.3 | 179.9 | -179.4 | 178.4 | 0 | 113.7 | P84 K85 F89 D90 Y91 | P84-K87 HydrophobicContact CG-CB 4.24Å; P84-K87 PolarHBondContact O-N 2.8Å; K85-K87 VanDerWaalsContact C-N 3.31Å; K85-K87 PolarHBondContact O-N 3.04Å; K87-F89 PolarHBondContact O-N 2.9Å; K87-D90 PolarHBondContact O-N 3.29Å; K87-Y91 HydrophobicContact CB-CD2 4.1Å; K87-Y91 HydrophobicContact CB-CE2 3.69Å; K87-Y91 WeakPolarHBondContact O-CD2 3.18Å; K87-Y91 PolarHBondContact O-N 3.48Å |
| 88 | S | 84.8 | Confident | 82 | Confident | 15 Ų | 15 | 81.7 Ų | 81.7 | 11% | 0.105 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.2 | -34 | -173.8 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | P84 K85 L92 | P84-S88 WeakPolarHBondContact O-CA 3.32Å; P84-S88 WeakPolarHBondContact O-CB 3.35Å; P84-S88 PolarHBondContact O-N 3.34Å; K85-S88 WeakPolarHBondContact O-CB 3.16Å; K85-S88 PolarHBondContact O-N 3.47Å; K85-S88 PolarHBondContact O-OG 3.34Å; S88-L92 PolarHBondContact O-N 3.09Å |
| 89 | F | 84.3 | Confident | 82.5 | Confident | 139 Ų | 139 | 79.1 Ų | 79.1 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -74.4 | -38.1 | -179 | -67.7 | -73.1 | 0 | 0 | 0 | 112.8 | K87 L92 Y93 | K87-F89 PolarHBondContact O-N 2.9Å; F89-L92 WeakPolarHBondContact O-CB 3.47Å; F89-L92 PolarHBondContact O-N 3.46Å; F89-Y93 WeakPolarHBondContact O-CD2 3.4Å; F89-Y93 PolarHBondContact O-N 3.37Å |
| 90 | D | 87.2 | Confident | 82.7 | Confident | 108 Ų | 108 | 82.9 Ų | 82.9 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.3 | -49.3 | 180 | -58.4 | -38.2 | 0 | 0 | 0 | 110.5 | K87 L92 Y93 S94 | K87-D90 PolarHBondContact O-N 3.29Å; D90-L92 VanDerWaalsContact C-N 3.27Å; D90-L92 PolarHBondContact O-N 2.96Å; D90-Y93 PolarHBondContact O-N 2.99Å; D90-S94 PolarHBondContact O-N 3.17Å; D90-S94 PolarHBondContact O-OG 2.97Å |
| 91 | Y | 83.2 | Confident | 82.7 | Confident | 84 Ų | 84 | 84.7 Ų | 84.7 | 33% | 0.329 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.7 | -28.2 | 177.1 | -62.3 | -60.3 | 0 | 0 | 0 | 112.8 | W83 P84 K87 Y93 D95 G96 | W83-Y91 HydrophobicContact CG-CD2 4.43Å; W83-Y91 WeakPolarHBondContact CH2-O 3.23Å; W83-Y91 WeakPolarHBondContact CZ2-O 3.24Å; P84-Y91 HydrophobicContact CG-CD2 4.37Å; P84-Y91 HydrophobicContact CG-CE2 3.8Å; K87-Y91 HydrophobicContact CB-CD2 4.1Å; K87-Y91 HydrophobicContact CB-CE2 3.69Å; K87-Y91 WeakPolarHBondContact O-CD2 3.18Å; K87-Y91 PolarHBondContact O-N 3.48Å; Y91-Y93 VanDerWaalsContact C-N 3.34Å; Y91-Y93 PolarHBondContact O-N 3.33Å; Y91-D95 WeakPolarHBondContact O-CB 3.15Å; Y91-D95 PolarHBondContact O-N 3.09Å; Y91-G96 PolarHBondContact O-N 3.39Å |
| 92 | L | 83.3 | Confident | 82.2 | Confident | 74 Ų | 74 | 88 Ų | 88 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.3 | -166.6 | 69.9 | 0 | 0 | 0 | 112.5 | W83 S88 F89 D90 G96 I109 | W83-L92 HydrophobicContact CH2-CB 4.17Å; W83-L92 HydrophobicContact CH2-CD1 3.95Å; W83-L92 HydrophobicContact CZ3-CB 3.6Å; W83-L92 HydrophobicContact CZ3-CD1 3.57Å; W83-L92 HydrophobicContact CZ3-CG 4.18Å; S88-L92 PolarHBondContact O-N 3.09Å; F89-L92 WeakPolarHBondContact O-CB 3.47Å; F89-L92 PolarHBondContact O-N 3.46Å; D90-L92 VanDerWaalsContact C-N 3.27Å; D90-L92 PolarHBondContact O-N 2.96Å; L92-G96 WeakPolarHBondContact O-CA 3.24Å; L92-I109 HydrophobicContact CD1-CD1 3.86Å |
| 93 | Y | 79.8 | Confident | 81.3 | Confident | 172 Ų | 172 | 88.2 Ų | 88.2 | 68% | 0.675 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -88.2 | -40.8 | -176 | -66.1 | -66.3 | 0 | 0 | 0 | 112.4 | F89 D90 Y91 | F89-Y93 WeakPolarHBondContact O-CD2 3.4Å; F89-Y93 PolarHBondContact O-N 3.37Å; D90-Y93 PolarHBondContact O-N 2.99Å; Y91-Y93 VanDerWaalsContact C-N 3.34Å; Y91-Y93 PolarHBondContact O-N 3.33Å |
| 94 | S | 82.9 | Confident | 80 | Confident | 58 Ų | 58 | 94 Ų | 94 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.4 | -63 | 178.1 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | D90 N98 | D90-S94 PolarHBondContact O-N 3.17Å; D90-S94 PolarHBondContact O-OG 2.97Å; S94-N98 PolarHBondContact O-OD1 2.96Å |
| 95 | D | 79.5 | Confident | 78.9 | Confident | 81 Ų | 81 | 96.9 Ų | 96.9 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -81.7 | -28.8 | -167.7 | -65.2 | 8.6 | 0 | 0 | 0 | 110.2 | W83 Y91 L99 | W83-D95 HydrophobicContact CZ2-CB 4.45Å; Y91-D95 WeakPolarHBondContact O-CB 3.15Å; Y91-D95 PolarHBondContact O-N 3.09Å; D95-L99 WeakPolarHBondContact O-CB 3.12Å; D95-L99 PolarHBondContact O-N 3.28Å |
| 96 | G | 80.3 | Confident | 78.3 | Confident | 9 Ų | 9 | 99.1 Ų | 99.1 | 9% | 0.093 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y91 L92 L99 L100 | Y91-G96 PolarHBondContact O-N 3.39Å; L92-G96 WeakPolarHBondContact O-CA 3.24Å; G96-L99 PolarHBondContact O-N 3.01Å; G96-L100 VanDerWaalsContact O-CG 3.29Å; G96-L100 WeakPolarHBondContact O-CG 3.24Å; G96-L100 PolarHBondContact O-N 2.76Å; G96-L100 VanDerWaalsContact O-N 3.08Å |
| 97 | E | 79.6 | Confident | 77.8 | Confident | 109 Ų | 109 | 96.8 Ų | 96.8 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -49.8 | 177.4 | -170.6 | -174.5 | 172.9 | 0 | 0 | 110.6 | L99 L100 R101 | E97-L99 VanDerWaalsContact C-N 3.28Å; E97-L99 PolarHBondContact O-N 2.86Å; E97-L100 PolarHBondContact O-N 3.14Å; E97-R101 HydrophobicContact CG-CG 4.48Å; E97-R101 VanDerWaalsContact O-CG 3.25Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.48Å; E97-R101 IonicContact OE1-CZ 3.95Å; E97-R101 IonicContact OE1-NE 3.67Å; E97-R101 IonicContact OE1-NH2 3.28Å; E97-R101 PolarHBondContact OE1-NH2 3.43Å |
| 98 | N | 81.8 | Confident | 77.9 | Confident | 110 Ų | 110 | 94.3 Ų | 94.3 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.8 | -36.5 | 179.3 | -81.8 | 76.5 | 0 | 0 | 0 | 113 | S94 N102 | S94-N98 PolarHBondContact O-OD1 2.96Å; N98-N102 PolarHBondContact O-ND2 3.05Å |
| 99 | L | 78 | Confident | 77.8 | Confident | 39 Ų | 39 | 96.3 Ų | 96.3 | 20% | 0.204 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.6 | -48.9 | 176.8 | -173.8 | 78.7 | 0 | 0 | 0 | 111.4 | V79 L81 D95 G96 E97 R101 N102 F103 A107 | V79-L99 HydrophobicContact CG1-CD1 4.46Å; L81-L99 HydrophobicContact CD1-CD1 4.24Å; L81-L99 HydrophobicContact CD1-CD2 3.52Å; D95-L99 WeakPolarHBondContact O-CB 3.12Å; D95-L99 PolarHBondContact O-N 3.28Å; G96-L99 PolarHBondContact O-N 3.01Å; E97-L99 VanDerWaalsContact C-N 3.28Å; E97-L99 PolarHBondContact O-N 2.86Å; L99-R101 VanDerWaalsContact C-N 3.31Å; L99-R101 PolarHBondContact O-N 3.49Å; L99-N102 PolarHBondContact O-N 3.37Å; L99-F103 PolarHBondContact O-N 3.15Å; L99-A107 HydrophobicContact CD2-CB 3.79Å |
| 100 | L | 76.5 | Confident | 77.9 | Confident | 122 Ų | 122 | 90.8 Ų | 90.8 | 64% | 0.639 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.1 | -25.6 | -176.4 | -67.5 | 174.9 | 0 | 0 | 0 | 112.9 | G96 E97 N102 | G96-L100 VanDerWaalsContact O-CG 3.29Å; G96-L100 WeakPolarHBondContact O-CG 3.24Å; G96-L100 PolarHBondContact O-N 2.76Å; G96-L100 VanDerWaalsContact O-N 3.08Å; E97-L100 PolarHBondContact O-N 3.14Å; L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 3.25Å |
| 101 | R | 79.7 | Confident | 77.9 | Confident | 188 Ų | 188 | 90.8 Ų | 90.8 | 71% | 0.709 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.8 | -33.5 | 176.2 | -79 | -76.7 | -173.5 | 152.8 | 5.2 | 113.9 | E97 L99 | E97-R101 HydrophobicContact CG-CG 4.48Å; E97-R101 VanDerWaalsContact O-CG 3.25Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.48Å; E97-R101 IonicContact OE1-CZ 3.95Å; E97-R101 IonicContact OE1-NE 3.67Å; E97-R101 IonicContact OE1-NH2 3.28Å; E97-R101 PolarHBondContact OE1-NH2 3.43Å; L99-R101 VanDerWaalsContact C-N 3.31Å; L99-R101 PolarHBondContact O-N 3.49Å |
| 102 | N | 70.4 | Confident | 77.9 | Confident | 118 Ų | 118 | 91.6 Ų | 91.6 | 63% | 0.631 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -108.4 | -20.9 | -169.5 | -64.8 | -53.1 | 0 | 0 | 0 | 114 | N98 L99 L100 | N98-N102 PolarHBondContact O-ND2 3.05Å; L99-N102 PolarHBondContact O-N 3.37Å; L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 3.25Å |
| 103 | F | 65.1 | Low | 77.9 | Confident | 117 Ų | 117 | 94.3 Ų | 94.3 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | trans | -121.8 | 105.1 | -173.4 | -65.9 | -80.4 | 0 | 0 | 0 | 110.6 | L99 V105 | L99-F103 PolarHBondContact O-N 3.15Å; F103-V105 PolarHBondContact O-N 2.83Å | ||
| 104 | P | 60.8 | Low | 77.5 | Confident | 138 Ų | 138 | 90.5 Ų | 90.5 | 90% | 0.896 | 46% | 0.461 | S | S | * | . | trans | -75.9 | 43.8 | 170.5 | 34.5 | -35.6 | 0 | 0 | 0 | 110.5 | ||||
| 105 | V | 66.1 | Low | 76.7 | Confident | 69 Ų | 69 | 93.5 Ų | 93.5 | 42% | 0.418 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -129.1 | 137.9 | -178.3 | 165.6 | 0 | 0 | 0 | 0 | 108.4 | P78 F103 A107 | P78-V105 HydrophobicContact CB-CG1 4.47Å; P78-V105 HydrophobicContact CG-CG1 3.6Å; F103-V105 PolarHBondContact O-N 2.83Å; V105-A107 PolarHBondContact O-N 2.83Å |
| 106 | Q | 71.6 | Confident | 75.8 | Confident | 142 Ų | 142 | 95.7 Ų | 95.7 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | trans | -63.1 | 118.6 | 177.5 | -173.3 | -180 | -37.7 | 0 | 0 | 110.3 | H77 | H77-Q106 PolarHBondContact CD2-O 2.58Å; H77-Q106 PolarHBondContact NE2-O 3.49Å | ||
| 107 | A | 76.4 | Confident | 74.6 | Confident | 31 Ų | 31 | 100.8 Ų | 100.8 | 26% | 0.256 | 53% | 0.528 | S | S | . | . | trans | -93.6 | 153.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | H77 L99 V105 | H77-A107 VanDerWaalsContact NE2-C 3.35Å; H77-A107 VanDerWaalsContact NE2-CA 3.32Å; H77-A107 WeakPolarHBondContact NE2-CA 3.16Å; L99-A107 HydrophobicContact CD2-CB 3.79Å; V105-A107 PolarHBondContact O-N 2.83Å | ||
| 108 | T | 84.4 | Confident | 73.3 | Confident | 58 Ų | 58 | 102.1 Ų | 102.1 | 36% | 0.356 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.6 | 176.4 | -50.2 | 0 | 0 | 0 | 0 | 108.2 | H77 L81 | H77-T108 PolarHBondContact CD2-OG1 3.47Å; H77-T108 WeakPolarHBondContact CE1-CB 3.43Å; H77-T108 PolarHBondContact CE1-N 2.96Å; H77-T108 PolarHBondContact CE1-OG1 3.29Å; H77-T108 VanDerWaalsContact CE1-OG1 3.25Å; H77-T108 PolarHBondContact ND1-OG1 3.34Å; H77-T108 PolarHBondContact NE2-N 2.91Å; H77-T108 PolarHBondContact NE2-OG1 3.36Å; L81-T108 PolarHBondContact N-O 3.46Å |
| 109 | I | 84.2 | Confident | 71.8 | Confident | 56 Ų | 56 | 103.4 Ų | 103.4 | 29% | 0.287 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.1 | 179.7 | -59.2 | 161.4 | 0 | 0 | 0 | 108.3 | W83 L92 F111 | W83-I109 HydrophobicContact CB-CG2 4.45Å; W83-I109 HydrophobicContact CD2-CG2 3.82Å; W83-I109 HydrophobicContact CE3-CD1 4.36Å; W83-I109 HydrophobicContact CE3-CG2 3.65Å; W83-I109 HydrophobicContact CG-CG2 4.2Å; W83-I109 HydrophobicContact CH2-CD1 3.64Å; W83-I109 HydrophobicContact CH2-CG1 4.35Å; W83-I109 HydrophobicContact CZ2-CD1 4.32Å; W83-I109 HydrophobicContact CZ3-CD1 3.69Å; W83-I109 HydrophobicContact CZ3-CG1 4.43Å; W83-I109 HydrophobicContact CZ3-CG2 4.1Å; L92-I109 HydrophobicContact CD1-CD1 3.86Å; I109-F111 HydrophobicContact CG2-CD1 4.49Å; I109-F111 HydrophobicContact CG2-CE1 3.86Å; I109-F111 HydrophobicContact CG2-CZ 3.97Å |
| 110 | S | 85.9 | Confident | 70.7 | Confident | 24 Ų | 24 | 107.5 Ų | 107.5 | 17% | 0.168 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.8 | 134.2 | 175.9 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | R80 L81 F82 W83 | R80-S110 PolarHBondContact NE-OG 2.8Å; R80-S110 VanDerWaalsContact NE-OG 3.15Å; L81-S110 PolarHBondContact O-N 2.77Å; F82-S110 CarbonylContact C-O 3.58Å; F82-S110 VanDerWaalsContact CA-O 3.24Å; F82-S110 WeakPolarHBondContact CA-O 3.13Å; W83-S110 PolarHBondContact N-O 3.08Å |
| 111 | F | 86.1 | Confident | 69.7 | Low | 107 Ų | 107 | 109.4 Ų | 109.4 | 47% | 0.469 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 137 | 180 | -60.7 | -65.8 | 0 | 0 | 0 | 111.8 | W83 K85 I109 | W83-F111 HydrophobicContact CB-CD1 4.18Å; W83-F111 HydrophobicContact CB-CE1 4.24Å; W83-F111 HydrophobicContact CE3-CE1 4.22Å; W83-F111 WeakPolarHBondContact O-CA 3.43Å; K85-F111 HydrophobicContact CD-CB 4.3Å; K85-F111 HydrophobicContact CG-CB 3.57Å; K85-F111 HydrophobicContact CG-CG 4.34Å; I109-F111 HydrophobicContact CG2-CD1 4.49Å; I109-F111 HydrophobicContact CG2-CE1 3.86Å; I109-F111 HydrophobicContact CG2-CZ 3.97Å |
| 112 | Y | 82.8 | Confident | 68.5 | Low | 102 Ų | 102 | 108.2 Ų | 108.2 | 40% | 0.4 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.9 | 149.6 | 171.3 | 71.8 | -87.8 | 0 | 0 | 0 | 110.9 | F82 W83 P84 K85 E114 | F82-Y112 HydrophobicContact CB-CD1 4.22Å; W83-Y112 VanDerWaalsContact C-CE1 3.47Å; W83-Y112 WeakPolarHBondContact O-CD1 3.39Å; W83-Y112 PolarHBondContact O-N 3.05Å; W83-Y112 VanDerWaalsContact O-N 3.09Å; P84-Y112 HydrophobicContact CB-CE1 4.19Å; P84-Y112 HydrophobicContact CB-CE2 4.25Å; K85-Y112 PolarHBondContact N-O 3.22Å; Y112-E114 HydrophobicContact CD2-CG 4.36Å; Y112-E114 HydrophobicContact CE2-CG 3.58Å; Y112-E114 PolarHBondContact OH-OE1 2.88Å |
| 113 | E | 83.7 | Confident | 67.8 | Low | 131 Ų | 131 | 108.3 Ų | 108.3 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | trans | -77.4 | 122.5 | 171.3 | -56 | -65.8 | 174 | 0 | 0 | 108 | K85 S115 | K85-E113 HydrophobicContact CD-CG 4.26Å; K85-E113 WeakPolarHBondContact CD-OE1 3.42Å; K85-E113 WeakPolarHBondContact CD-OE2 3.32Å; K85-E113 WeakPolarHBondContact CE-OE1 3.12Å; K85-E113 IonicContact NZ-OE1 2.58Å; K85-E113 PolarHBondContact NZ-OE1 3.25Å; E113-S115 PolarHBondContact O-N 2.95Å | ||
| 114 | E | 71.8 | Confident | 67.4 | Low | 91 Ų | 91 | 110.4 Ų | 110.4 | 43% | 0.425 | 58% | 0.583 | S | S | . | * | trans | -71.4 | 124 | 161.6 | -79.6 | 174.8 | 165 | 0 | 0 | 106.5 | P84 S86 Y112 D116 | P84-E114 HydrophobicContact CB-CG 3.78Å; P84-E114 WeakPolarHBondContact CB-OE1 3.38Å; S86-E114 PolarHBondContact OG-OE2 3.44Å; Y112-E114 HydrophobicContact CD2-CG 4.36Å; Y112-E114 HydrophobicContact CE2-CG 3.58Å; Y112-E114 PolarHBondContact OH-OE1 2.88Å; E114-D116 PolarHBondContact O-N 3.03Å | ||
| 115 | S | 66.2 | Low | 67.3 | Low | 122 Ų | 122 | 110.1 Ų | 110.1 | 85% | 0.853 | 57% | 0.57 | S | S | * | * | trans | -66.1 | 107.7 | 171.1 | -132.4 | 0 | 0 | 0 | 0 | 106.1 | E113 S117 | E113-S115 PolarHBondContact O-N 2.95Å; S115-S117 PolarHBondContact O-N 3.04Å | ||
| 116 | D | 61 | Low | 67.1 | Low | 126 Ų | 126 | 114.9 Ų | 114.9 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | trans | -61.1 | 98.8 | -176.6 | -153.5 | 10.4 | 0 | 0 | 0 | 109.7 | E114 E118 | E114-D116 PolarHBondContact O-N 3.03Å; D116-E118 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 117 | S | 55 | Low | 66.8 | Low | 116 Ų | 116 | 114.2 Ų | 114.2 | 81% | 0.811 | 58% | 0.577 | S | S | * | * | trans | -102.7 | 84.4 | 156.5 | 67.4 | 0 | 0 | 0 | 0 | 105.5 | S115 D119 | S115-S117 PolarHBondContact O-N 3.04Å; S117-D119 PolarHBondContact O-N 3.31Å | ||
| 118 | E | 52.7 | Low | 66.4 | Low | 137 Ų | 137 | 119.7 Ų | 119.7 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | trans | -49.2 | 123.7 | 177.8 | -71.8 | 162.6 | 146.3 | 0 | 0 | 110.9 | D116 D120 | D116-E118 WeakPolarHBondContact OD1-CG 3.48Å; E118-D120 HydrophobicContact CB-CB 4.26Å | ||
| 119 | D | 50.1 | Low | 65.8 | Low | 138 Ų | 138 | 122.7 Ų | 122.7 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | trans | -118.2 | 83.8 | 148.2 | -170.4 | 33.5 | 0 | 0 | 0 | 104.1 | S117 | S117-D119 PolarHBondContact O-N 3.31Š| ||
| 120 | D | 54.1 | Low | 65.4 | Low | 125 Ų | 125 | 125.5 Ų | 125.5 | 67% | 0.668 | 62% | 0.621 | S | S | * | * | trans | -107.7 | 53.4 | -169.7 | -142.1 | 19.8 | 0 | 0 | 0 | 108.5 | E118 | E118-D120 HydrophobicContact CB-CB 4.26Š| ||
| 121 | E | 55.5 | Low | 64.9 | Low | 161 Ų | 161 | 130.5 Ų | 130.5 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | trans | -95.8 | 3.2 | -176.9 | -70.7 | -172.1 | 175.4 | 0 | 0 | 113.7 | ||||
| 122 | E | 55.4 | Low | 64.5 | Low | 164 Ų | 164 | 128.9 Ų | 128.9 | 77% | 0.766 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -95.7 | -9.4 | -173.1 | -101.7 | -177.3 | -160.1 | 0 | 0 | 115.7 | W126 | E122-W126 VanDerWaalsContact O-CD1 3.23Å; E122-W126 PolarHBondContact O-NE1 3Å |
| 123 | D | 54.7 | Low | 64.3 | Low | 120 Ų | 120 | 130.6 Ų | 130.6 | 64% | 0.642 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -92 | -15.9 | -174.9 | -134.6 | 11.3 | 0 | 0 | 0 | 113.8 | ||
| 124 | E | 56.9 | Low | 64.2 | Low | 160 Ų | 160 | 130.3 Ų | 130.3 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -82 | -24.3 | -177.3 | -72.9 | 177.3 | 167.9 | 0 | 0 | 113.7 | ||
| 125 | E | 58.9 | Low | 64.5 | Low | 132 Ų | 132 | 133.1 Ų | 133.1 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.8 | -36.4 | -177.4 | -168.2 | 172.5 | -161.5 | 0 | 0 | 112.4 | E128 E129 | E125-E128 PolarHBondContact O-N 3.14Å; E125-E129 PolarHBondContact O-N 3.34Å |
| 126 | W | 60.9 | Low | 65.3 | Low | 170 Ų | 170 | 131.9 Ų | 131.9 | 64% | 0.644 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.2 | -32.5 | -176.5 | -58.9 | 103.5 | 0 | 0 | 0 | 113.6 | E122 M130 | E122-W126 VanDerWaalsContact O-CD1 3.23Å; E122-W126 PolarHBondContact O-NE1 3Å; W126-M130 PolarHBondContact O-N 3.31Å |
| 127 | E | 65.3 | Low | 66.1 | Low | 127 Ų | 127 | 132.3 Ų | 132.3 | 59% | 0.593 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.2 | -40.3 | 176.6 | -65.2 | -165 | 168.5 | 0 | 0 | 110.8 | E129 M130 Y131 | E127-E129 PolarHBondContact O-N 3.27Å; E127-M130 PolarHBondContact O-N 3.35Å; E127-Y131 WeakPolarHBondContact O-CD2 3.5Å; E127-Y131 PolarHBondContact O-N 2.62Å; E127-Y131 VanDerWaalsContact O-N 3.13Å |
| 128 | E | 68.5 | Low | 67.3 | Low | 147 Ų | 147 | 132.3 Ų | 132.3 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.9 | -33.9 | -176.8 | -148.4 | 172.7 | -145.4 | 0 | 0 | 112.7 | E125 S132 | E125-E128 PolarHBondContact O-N 3.14Å; E128-S132 WeakPolarHBondContact O-CB 3.41Å; E128-S132 PolarHBondContact O-N 3.23Å; E128-S132 PolarHBondContact O-OG 3.17Å |
| 129 | E | 72.4 | Confident | 68.5 | Low | 120 Ų | 120 | 132.1 Ų | 132.1 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.5 | -45 | 171.2 | -76 | -163.2 | 157.8 | 0 | 0 | 112.1 | E125 E127 Y131 S132 E133 | E125-E129 PolarHBondContact O-N 3.34Å; E127-E129 PolarHBondContact O-N 3.27Å; E129-Y131 PolarHBondContact O-N 3.25Å; E129-S132 PolarHBondContact O-N 3.26Å; E129-E133 PolarHBondContact O-N 2.98Å |
| 130 | M | 76.3 | Confident | 69.7 | Low | 115 Ų | 115 | 132.1 Ų | 132.1 | 57% | 0.567 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.9 | -43.1 | -179.8 | -166.1 | -165.6 | 76.5 | 0 | 0 | 112 | W126 E127 S132 E133 E134 | W126-M130 PolarHBondContact O-N 3.31Å; E127-M130 PolarHBondContact O-N 3.35Å; M130-S132 VanDerWaalsContact C-N 3.3Å; M130-S132 PolarHBondContact O-N 2.99Å; M130-E133 PolarHBondContact O-N 2.89Å; M130-E134 PolarHBondContact O-N 3.44Å |
| 131 | Y | 73.8 | Confident | 70.5 | Confident | 129 Ų | 129 | 130.4 Ų | 130.4 | 51% | 0.506 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.9 | -30.2 | 177 | -84 | -73.3 | 0 | 0 | 0 | 113 | E127 E129 K135 | E127-Y131 WeakPolarHBondContact O-CD2 3.5Å; E127-Y131 PolarHBondContact O-N 2.62Å; E127-Y131 VanDerWaalsContact O-N 3.13Å; E129-Y131 PolarHBondContact O-N 3.25Å; Y131-K135 WeakPolarHBondContact O-CG 3.22Å; Y131-K135 PolarHBondContact O-N 3.48Å |
| 132 | S | 78.6 | Confident | 71.1 | Confident | 73 Ų | 73 | 126 Ų | 126 | 51% | 0.51 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.2 | -41.3 | 177.9 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | E128 E129 M130 K135 E136 | E128-S132 WeakPolarHBondContact O-CB 3.41Å; E128-S132 PolarHBondContact O-N 3.23Å; E128-S132 PolarHBondContact O-OG 3.17Å; E129-S132 PolarHBondContact O-N 3.26Å; M130-S132 VanDerWaalsContact C-N 3.3Å; M130-S132 PolarHBondContact O-N 2.99Å; S132-K135 PolarHBondContact O-N 2.97Å; S132-E136 PolarHBondContact O-N 3.02Å |
| 133 | E | 77.9 | Confident | 71.5 | Confident | 138 Ų | 138 | 124.6 Ų | 124.6 | 65% | 0.645 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.2 | -38.8 | 178.3 | -167.2 | 166.4 | -144.1 | 0 | 0 | 112.1 | E129 M130 K135 E136 Y137 | E129-E133 PolarHBondContact O-N 2.98Å; M130-E133 PolarHBondContact O-N 2.89Å; E133-K135 PolarHBondContact O-N 3.29Å; E133-E136 PolarHBondContact O-N 3.34Å; E133-Y137 PolarHBondContact O-N 2.9Å |
| 134 | E | 81.3 | Confident | 71.9 | Confident | 126 Ų | 126 | 128.8 Ų | 128.8 | 59% | 0.589 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63 | -40.7 | 176.1 | -170.9 | 176.1 | -162.5 | 0 | 0 | 112.2 | M130 Y137 L138 | M130-E134 PolarHBondContact O-N 3.44Å; E134-Y137 PolarHBondContact O-N 2.89Å; E134-L138 PolarHBondContact O-N 2.96Å |
| 135 | K | 79.9 | Confident | 72 | Confident | 150 Ų | 150 | 126.4 Ų | 126.4 | 65% | 0.652 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -36.9 | 175.8 | -73.9 | 176.6 | -176.4 | 167.3 | 0 | 112.2 | Y131 S132 E133 K139 | Y131-K135 WeakPolarHBondContact O-CG 3.22Å; Y131-K135 PolarHBondContact O-N 3.48Å; S132-K135 PolarHBondContact O-N 2.97Å; E133-K135 PolarHBondContact O-N 3.29Å; K135-K139 VanDerWaalsContact O-CB 3.29Å; K135-K139 WeakPolarHBondContact O-CB 3.15Å; K135-K139 PolarHBondContact O-N 3.24Å |
| 136 | E | 82.8 | Confident | 72 | Confident | 96 Ų | 96 | 125 Ų | 125 | 45% | 0.449 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.5 | -40.1 | 177.1 | -158 | -157.3 | -178.6 | 0 | 0 | 111.5 | S132 E133 K139 R140 | S132-E136 PolarHBondContact O-N 3.02Å; E133-E136 PolarHBondContact O-N 3.34Å; E136-K139 PolarHBondContact O-N 3.1Å; E136-R140 PolarHBondContact O-N 3.22Å; E136-R140 IonicContact OE1-CZ 3.59Å; E136-R140 IonicContact OE1-NH1 2.77Å; E136-R140 PolarHBondContact OE1-NH1 2.88Å; E136-R140 IonicContact OE1-NH2 3.78Å; E136-R140 IonicContact OE2-CZ 3.43Å; E136-R140 IonicContact OE2-NH1 3.28Å; E136-R140 PolarHBondContact OE2-NH1 2.96Å; E136-R140 IonicContact OE2-NH2 2.83Å; E136-R140 PolarHBondContact OE2-NH2 2.87Å |
| 137 | Y | 78.1 | Confident | 71.8 | Confident | 134 Ų | 134 | 127.3 Ų | 127.3 | 53% | 0.525 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.3 | -48.2 | 175.1 | -178.9 | -99.4 | 0 | 0 | 0 | 112.1 | E133 E134 K139 R140 Q141 | E133-Y137 PolarHBondContact O-N 2.9Å; E134-Y137 PolarHBondContact O-N 2.89Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 3.39Å; Y137-R140 PolarHBondContact O-N 2.95Å; Y137-Q141 HydrophobicContact CD1-CG 4.34Å; Y137-Q141 HydrophobicContact CE1-CG 3.96Å; Y137-Q141 VanDerWaalsContact CE1-OE1 3.32Å; Y137-Q141 VanDerWaalsContact CZ-NE2 3.31Å; Y137-Q141 PolarHBondContact O-N 3.17Å; Y137-Q141 PolarHBondContact OH-NE2 3.08Å |
| 138 | L | 79.3 | Confident | 71.1 | Confident | 116 Ų | 116 | 132.8 Ų | 132.8 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.5 | -37.1 | 179.7 | -165.3 | 67.7 | 0 | 0 | 0 | 111.7 | E134 Q141 S142 | E134-L138 PolarHBondContact O-N 2.96Å; L138-Q141 PolarHBondContact O-N 2.73Å; L138-S142 PolarHBondContact O-N 2.73Å |
| 139 | K | 78.8 | Confident | 71.3 | Confident | 134 Ų | 134 | 132.1 Ų | 132.1 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.8 | -48.6 | 173.3 | -172.3 | 176.2 | -178.4 | -176.1 | 0 | 111.1 | K135 E136 Y137 Q141 S142 H143 | K135-K139 VanDerWaalsContact O-CB 3.29Å; K135-K139 WeakPolarHBondContact O-CB 3.15Å; K135-K139 PolarHBondContact O-N 3.24Å; E136-K139 PolarHBondContact O-N 3.1Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 3.39Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.1Å; K139-S142 PolarHBondContact O-N 2.92Å; K139-S142 PolarHBondContact O-OG 3.37Å; K139-H143 PolarHBondContact O-CD2 2.84Å; K139-H143 PolarHBondContact O-N 3.13Å |
| 140 | R | 74.6 | Confident | 71.2 | Confident | 137 Ų | 137 | 132.7 Ų | 132.7 | 52% | 0.517 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -58.2 | -41.7 | 175.9 | -86.9 | -163.2 | -78.1 | -99.2 | -5.1 | 112.4 | E136 Y137 H143 | E136-R140 PolarHBondContact O-N 3.22Å; E136-R140 IonicContact OE1-CZ 3.59Å; E136-R140 IonicContact OE1-NH1 2.77Å; E136-R140 PolarHBondContact OE1-NH1 2.88Å; E136-R140 IonicContact OE1-NH2 3.78Å; E136-R140 IonicContact OE2-CZ 3.43Å; E136-R140 IonicContact OE2-NH1 3.28Å; E136-R140 PolarHBondContact OE2-NH1 2.96Å; E136-R140 IonicContact OE2-NH2 2.83Å; E136-R140 PolarHBondContact OE2-NH2 2.87Å; Y137-R140 PolarHBondContact O-N 2.95Å; R140-H143 PolarHBondContact O-N 3.35Å |
| 141 | Q | 69.9 | Low | 70.9 | Confident | 89 Ų | 89 | 133.7 Ų | 133.7 | 42% | 0.416 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.7 | -41.4 | 177.3 | -74.1 | -168.4 | -41.2 | 0 | 0 | 112.4 | Y137 L138 K139 H143 Y144 T145 | Y137-Q141 HydrophobicContact CD1-CG 4.34Å; Y137-Q141 HydrophobicContact CE1-CG 3.96Å; Y137-Q141 VanDerWaalsContact CE1-OE1 3.32Å; Y137-Q141 VanDerWaalsContact CZ-NE2 3.31Å; Y137-Q141 PolarHBondContact O-N 3.17Å; Y137-Q141 PolarHBondContact OH-NE2 3.08Å; L138-Q141 PolarHBondContact O-N 2.73Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.1Å; Q141-H143 VanDerWaalsContact C-N 3.26Å; Q141-H143 PolarHBondContact O-N 3.01Å; Q141-Y144 PolarHBondContact O-N 2.72Å; Q141-Y144 VanDerWaalsContact O-N 3.09Å; Q141-T145 PolarHBondContact O-N 2.97Å |
| 142 | S | 69.6 | Low | 70.8 | Confident | 69 Ų | 69 | 134 Ų | 134 | 48% | 0.483 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.1 | -31 | 178.2 | 75.7 | 0 | 0 | 0 | 0 | 113.5 | L138 K139 Y144 T145 | L138-S142 PolarHBondContact O-N 2.73Å; K139-S142 PolarHBondContact O-N 2.92Å; K139-S142 PolarHBondContact O-OG 3.37Å; S142-Y144 VanDerWaalsContact C-N 3.28Å; S142-Y144 PolarHBondContact O-N 3.31Å; S142-T145 PolarHBondContact O-OG1 2.87Å |
| 143 | H | 64 | Low | 70.3 | Confident | 135 Ų | 135 | 137.8 Ų | 137.8 | 63% | 0.625 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.7 | -20.1 | 176.6 | -74.8 | -64.8 | 0 | 0 | 0 | 113.1 | K139 R140 Q141 | K139-H143 PolarHBondContact O-CD2 2.84Å; K139-H143 PolarHBondContact O-N 3.13Å; R140-H143 PolarHBondContact O-N 3.35Å; Q141-H143 VanDerWaalsContact C-N 3.26Å; Q141-H143 PolarHBondContact O-N 3.01Å |
| 144 | Y | 62.2 | Low | 69.8 | Low | 207 Ų | 207 | 137.8 Ų | 137.8 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -86.6 | -23.9 | 178.9 | -171.6 | -101.6 | 0 | 0 | 0 | 112.9 | Q141 S142 S146 | Q141-Y144 PolarHBondContact O-N 2.72Å; Q141-Y144 VanDerWaalsContact O-N 3.09Å; S142-Y144 VanDerWaalsContact C-N 3.28Å; S142-Y144 PolarHBondContact O-N 3.31Å; Y144-S146 VanDerWaalsContact C-N 3.3Å; Y144-S146 PolarHBondContact O-N 2.72Å |
| 145 | T | 58.3 | Low | 68.9 | Low | 111 Ų | 111 | 138.6 Ų | 138.6 | 68% | 0.681 | 66% | 0.658 | S | S | * | * | trans | -86 | 13 | -173.3 | 60.4 | 0 | 0 | 0 | 0 | 115 | Q141 S142 Y147 | Q141-T145 PolarHBondContact O-N 2.97Å; S142-T145 PolarHBondContact O-OG1 2.87Å; T145-Y147 VanDerWaalsContact C-N 3.34Å; T145-Y147 PolarHBondContact O-N 3.05Å | ||
| 146 | S | 60 | Low | 68.1 | Low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | trans | -85.5 | 10.9 | -176.6 | -170.4 | 0 | 0 | 0 | 0 | 115.4 | Y144 | Y144-S146 VanDerWaalsContact C-N 3.3Å; Y144-S146 PolarHBondContact O-N 2.72Å | ||
| 147 | Y | 56.1 | Low | 66.9 | Low | 219 Ų | 219 | 141.3 Ų | 141.3 | 86% | 0.859 | 68% | 0.676 | S | S | * | * | trans | -114 | 88.5 | 170.9 | -88.3 | -87.4 | 0 | 0 | 0 | 110.9 | T145 | T145-Y147 VanDerWaalsContact C-N 3.34Å; T145-Y147 PolarHBondContact O-N 3.05Å | ||
| 148 | N | 51.8 | Low | 65.9 | Low | 243 Ų | 243 | 141.9 Ų | 141.9 | 100% | 1.299 | 69% | 0.69 | S | S | * | * | trans | -163.3 | 0 | 142.7 | -96.7 | -45.2 | 0 | 0 | 0 | 109.5 |
Retrieved 148 of 148 residues in 235.2 ms
(Link to these results)