| 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 | 56.6 | Low | 66.5 | Low | 229 Ų | 229 | 133.1 Ų | 133.1 | 100% | 1.128 | 67% | 0.67 | S | S | * | * | 0 | 82.4 | 0 | -72.9 | -79.5 | -145 | 0 | 0 | 105.1 | E3 | M1-E3 PolarHBondContact O-N 3.16Š| |||
| 2 | D | 58 | Low | 66 | Low | 168 Ų | 168 | 138 Ų | 138 | 90% | 0.898 | 68% | 0.675 | S | S | * | * | trans | -82.8 | 106.2 | -179 | -62.5 | -43.8 | 0 | 0 | 0 | 107.7 | N4 | D2-N4 PolarHBondContact O-N 3.33Å; D2-N4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | E | 65.2 | Low | 65.6 | Low | 164 Ų | 164 | 131.8 Ų | 131.8 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | trans | -70.9 | 103.6 | 174.5 | -73.3 | -171.7 | 169.8 | 0 | 0 | 109.2 | M1 K5 | M1-E3 PolarHBondContact O-N 3.16Å; E3-K5 VanDerWaalsContact C-N 3.31Å; E3-K5 PolarHBondContact O-N 2.93Å | ||
| 4 | N | 70 | Confident | 65 | Low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | trans | -63 | 89.8 | 168.4 | -174.1 | 6 | 0 | 0 | 0 | 109.8 | D2 K6 | D2-N4 PolarHBondContact O-N 3.33Å; D2-N4 VanDerWaalsContact O-N 3.11Å; N4-K6 PolarHBondContact O-N 3.25Å | ||
| 5 | K | 68.6 | Low | 64.3 | Low | 177 Ų | 177 | 133.2 Ų | 133.2 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | trans | -77.3 | 93.6 | 168 | -74.4 | 177.7 | -178.8 | 171.6 | 0 | 108.4 | E3 S7 | E3-K5 VanDerWaalsContact C-N 3.31Å; E3-K5 PolarHBondContact O-N 2.93Å; K5-S7 PolarHBondContact O-N 3.4Å | ||
| 6 | K | 69.7 | Low | 63.8 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 44% | 0.443 | 66% | 0.658 | S | S | . | * | trans | -52.8 | 126.5 | 169 | -168.4 | 166.1 | -166.6 | -105.9 | 0 | 108.6 | N4 D10 E14 | N4-K6 PolarHBondContact O-N 3.25Å; K6-D10 HydrophobicContact CD-CB 4.27Å; K6-D10 HydrophobicContact CG-CB 3.58Å; K6-D10 PolarHBondContact NZ-O 2.89Å; K6-E14 IonicContact NZ-OE2 2.8Å; K6-E14 PolarHBondContact NZ-OE2 3.35Å | ||
| 7 | S | 72.8 | Confident | 62.7 | Low | 52 Ų | 52 | 130.6 Ų | 130.6 | 36% | 0.364 | 67% | 0.665 | S | S | . | * | trans | -60.9 | 148.4 | -176.8 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | K5 D9 D10 M11 | K5-S7 PolarHBondContact O-N 3.4Å; S7-D9 PolarHBondContact O-N 3.23Å; S7-D9 VanDerWaalsContact O-N 3.17Å; S7-D9 PolarHBondContact OG-N 3.28Å; S7-D10 WeakPolarHBondContact CB-OD2 3.43Å; S7-D10 PolarHBondContact N-OD2 3.23Å; S7-D10 VanDerWaalsContact N-OD2 3.16Å; S7-D10 WeakPolarHBondContact O-CB 3.36Å; S7-D10 PolarHBondContact O-N 3.36Å; S7-M11 PolarHBondContact O-N 3.02Å | ||
| 8 | L | 67.1 | Low | 61.9 | Low | 128 Ų | 128 | 134 Ų | 134 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56.4 | -28.5 | 173.1 | -104.5 | 148.3 | 0 | 0 | 0 | 112.4 | M11 R12 | L8-M11 HydrophobicContact CD2-CE 4.27Å; L8-M11 HydrophobicContact CG-CE 4.03Å; L8-M11 PolarHBondContact O-N 3.2Å; L8-R12 PolarHBondContact O-N 3.24Å |
| 9 | D | 72.4 | Confident | 61 | Low | 114 Ų | 114 | 131.8 Ų | 131.8 | 61% | 0.61 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -70.9 | -33.6 | 176.2 | -61.8 | -37.7 | 0 | 0 | 0 | 111.6 | S7 M11 R12 A13 | S7-D9 PolarHBondContact O-N 3.23Å; S7-D9 VanDerWaalsContact O-N 3.17Å; S7-D9 PolarHBondContact OG-N 3.28Å; D9-M11 VanDerWaalsContact C-N 3.29Å; D9-M11 PolarHBondContact O-N 3.22Å; D9-R12 PolarHBondContact O-N 3.34Å; D9-A13 PolarHBondContact O-N 3.11Å |
| 10 | D | 66.2 | Low | 59.8 | Low | 80 Ų | 80 | 133.9 Ų | 133.9 | 43% | 0.428 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -72.7 | -19.6 | 175.8 | -57.7 | -31.2 | 0 | 0 | 0 | 112.7 | K6 S7 | K6-D10 HydrophobicContact CD-CB 4.27Å; K6-D10 HydrophobicContact CG-CB 3.58Å; K6-D10 PolarHBondContact NZ-O 2.89Å; S7-D10 WeakPolarHBondContact CB-OD2 3.43Å; S7-D10 PolarHBondContact N-OD2 3.23Å; S7-D10 VanDerWaalsContact N-OD2 3.16Å; S7-D10 WeakPolarHBondContact O-CB 3.36Å; S7-D10 PolarHBondContact O-N 3.36Å |
| 11 | M | 64.4 | Low | 58.7 | Low | 98 Ų | 98 | 130.8 Ų | 130.8 | 48% | 0.483 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -82.6 | -25.3 | 172.5 | -74.7 | -171.7 | -85.1 | 0 | 0 | 112.4 | S7 L8 D9 N15 | S7-M11 PolarHBondContact O-N 3.02Å; L8-M11 HydrophobicContact CD2-CE 4.27Å; L8-M11 HydrophobicContact CG-CE 4.03Å; L8-M11 PolarHBondContact O-N 3.2Å; D9-M11 VanDerWaalsContact C-N 3.29Å; D9-M11 PolarHBondContact O-N 3.22Å; M11-N15 PolarHBondContact O-ND2 3.34Å; M11-N15 VanDerWaalsContact O-ND2 3.16Å |
| 12 | R | 61.4 | Low | 57.7 | Low | 192 Ų | 192 | 125.3 Ų | 125.3 | 73% | 0.725 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.6 | -34.8 | 175.1 | -92.2 | -178.3 | 160.1 | 134.8 | -3 | 112.5 | L8 D9 E14 N15 | L8-R12 PolarHBondContact O-N 3.24Å; D9-R12 PolarHBondContact O-N 3.34Å; R12-E14 VanDerWaalsContact C-N 3.27Å; R12-E14 PolarHBondContact O-N 3.22Å; R12-N15 PolarHBondContact O-N 3.17Å |
| 13 | A | 59.8 | Low | 56.9 | Low | 58 Ų | 58 | 121 Ų | 121 | 48% | 0.479 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.9 | -29.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D9 N15 S16 | D9-A13 PolarHBondContact O-N 3.11Å; A13-N15 PolarHBondContact O-N 2.97Å; A13-S16 PolarHBondContact O-OG 3.37Å |
| 14 | E | 57.4 | Low | 55.7 | Low | 147 Ų | 147 | 120.2 Ų | 120.2 | 69% | 0.687 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -12.5 | -179.3 | -134.9 | 172.5 | 165.9 | 0 | 0 | 113.4 | K6 R12 | K6-E14 IonicContact NZ-OE2 2.8Å; K6-E14 PolarHBondContact NZ-OE2 3.35Å; R12-E14 VanDerWaalsContact C-N 3.27Å; R12-E14 PolarHBondContact O-N 3.22Å |
| 15 | N | 55.4 | Low | 54.4 | Low | 137 Ų | 137 | 118.6 Ų | 118.6 | 73% | 0.733 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 0.6 | -178.6 | -69.3 | -69.3 | 0 | 0 | 0 | 113.8 | M11 R12 A13 | M11-N15 PolarHBondContact O-ND2 3.34Å; M11-N15 VanDerWaalsContact O-ND2 3.16Å; R12-N15 PolarHBondContact O-N 3.17Å; A13-N15 PolarHBondContact O-N 2.97Å |
| 16 | S | 55.9 | Low | 53.4 | Low | 77 Ų | 77 | 116.9 Ų | 116.9 | 54% | 0.538 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -94.9 | -4.8 | -176.6 | 44.3 | 0 | 0 | 0 | 0 | 115.9 | A13 M18 | A13-S16 PolarHBondContact O-OG 3.37Å; S16-M18 PolarHBondContact O-N 3.27Å |
| 17 | D | 45 | Very low | 52.9 | Low | 145 Ų | 145 | 115.5 Ų | 115.5 | 78% | 0.775 | 66% | 0.658 | S | S | * | * | trans | -94.4 | 19.2 | -175.9 | -74.7 | -14.7 | 0 | 0 | 0 | 115.3 | S19 | D17-S19 VanDerWaalsContact C-N 3.27Å; D17-S19 PolarHBondContact O-N 3.37Å | ||
| 18 | M | 48 | Very low | 53 | Low | 192 Ų | 192 | 114.4 Ų | 114.4 | 95% | 0.946 | 66% | 0.655 | S | S | * | * | trans | -90.6 | 60.1 | 167 | -73.1 | -79 | -162.9 | 0 | 0 | 110.4 | S16 | S16-M18 PolarHBondContact O-N 3.27Š| ||
| 19 | S | 44.4 | Very low | 54 | Low | 92 Ų | 92 | 110.9 Ų | 110.9 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -133.8 | 117.5 | 166.6 | 73.1 | 0 | 0 | 0 | 0 | 111.3 | D17 | D17-S19 VanDerWaalsContact C-N 3.27Å; D17-S19 PolarHBondContact O-N 3.37Å |
| 20 | N | 37.8 | Very low | 55 | Low | 174 Ų | 174 | 108.3 Ų | 108.3 | 93% | 0.93 | 63% | 0.626 | S | S | * | * | trans | 57.4 | 69.7 | 163.4 | -64.2 | -14.8 | 0 | 0 | 0 | 118.1 | ||||
| 21 | G | 37.2 | Very low | 56.3 | Low | 69 Ų | 69 | 104.6 Ų | 104.6 | 71% | 0.711 | 61% | 0.606 | S | S | * | * | trans | -126.7 | 102.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A23 | G21-A23 PolarHBondContact O-N 3.16Š| ||
| 22 | S | 35.3 | Very low | 57.7 | Low | 114 Ų | 114 | 102.2 Ų | 102.2 | 80% | 0.797 | 60% | 0.599 | S | S | * | * | trans | 10.5 | 91.6 | 153 | -167.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 23 | A | 41.5 | Very low | 59.2 | Low | 76 Ų | 76 | 98.7 Ų | 98.7 | 63% | 0.628 | 59% | 0.591 | S | S | * | * | trans | -119.9 | 76.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | G21 N25 | G21-A23 PolarHBondContact O-N 3.16Å; A23-N25 PolarHBondContact O-N 3.47Å | ||
| 24 | N | 38.6 | Very low | 60.9 | Low | 148 Ų | 148 | 101.9 Ų | 101.9 | 79% | 0.791 | 59% | 0.591 | S | S | * | * | trans | -64.6 | 62.9 | 151.9 | -65.9 | -39.6 | 0 | 0 | 0 | 108.2 | T26 | N24-T26 PolarHBondContact O-N 2.68Š| ||
| 25 | N | 42.7 | Very low | 62.8 | Low | 118 Ų | 118 | 99.7 Ų | 99.7 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | trans | -68.6 | 121.6 | 163.2 | -89.5 | -41.4 | 0 | 0 | 0 | 104.9 | A23 L27 | A23-N25 PolarHBondContact O-N 3.47Å; N25-L27 HydrophobicContact CB-CD1 3.55Å; N25-L27 PolarHBondContact O-N 2.78Å | ||
| 26 | T | 48.9 | Very low | 64.7 | Low | 142 Ų | 142 | 104.7 Ų | 104.7 | 87% | 0.871 | 59% | 0.586 | S | S | * | * | trans | -63.8 | 44.7 | -179.3 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | N24 G28 | N24-T26 PolarHBondContact O-N 2.68Å; T26-G28 PolarHBondContact O-N 3.35Å | ||
| 27 | L | 59.5 | Low | 66.6 | Low | 72 Ų | 72 | 103.6 Ų | 103.6 | 38% | 0.377 | 57% | 0.574 | S | S | . | * | trans | -65 | 118 | 164.4 | -82.1 | 80.1 | 0 | 0 | 0 | 105.4 | N25 Y43 | N25-L27 HydrophobicContact CB-CD1 3.55Å; N25-L27 PolarHBondContact O-N 2.78Å; L27-Y43 WeakPolarHBondContact CD2-OH 3.46Å | ||
| 28 | G | 74.3 | Confident | 69 | Low | 30 Ų | 30 | 99 Ų | 99 | 31% | 0.309 | 55% | 0.549 | S | S | . | . | trans | -61.9 | 178.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T26 Q30 D49 | T26-G28 PolarHBondContact O-N 3.35Å; G28-Q30 PolarHBondContact O-N 3.28Å; G28-D49 WeakPolarHBondContact CA-OD2 3.3Å; G28-D49 PolarHBondContact N-OD2 2.97Å | ||
| 29 | S | 87.4 | Confident | 71.2 | Confident | 53 Ų | 53 | 100.1 Ų | 100.1 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | trans | -38.5 | 126.5 | -174.9 | -65.5 | 0 | 0 | 0 | 0 | 114.3 | E33 Y34 P48 V77 | S29-E33 WeakPolarHBondContact CA-OE2 3.43Å; S29-Y34 PolarHBondContact OG-OH 3.4Å; S29-P48 WeakPolarHBondContact O-CD 3.05Å; S29-V77 WeakPolarHBondContact O-CG1 3.47Å | ||
| 30 | Q | 92.9 | Very high | 73.5 | Confident | 61 Ų | 61 | 105.3 Ų | 105.3 | 29% | 0.285 | 55% | 0.554 | S | S | . | * | trans | -84.4 | 151.5 | 175.4 | -60.6 | -171.3 | -48.4 | 0 | 0 | 110.7 | G28 S32 E33 Y34 N46 N47 | G28-Q30 PolarHBondContact O-N 3.28Å; Q30-S32 VanDerWaalsContact C-N 3.27Å; Q30-S32 PolarHBondContact O-N 2.86Å; Q30-E33 HydrophobicContact CB-CG 4.1Å; Q30-E33 PolarHBondContact N-OE2 3.22Å; Q30-E33 WeakPolarHBondContact O-CB 3.45Å; Q30-E33 PolarHBondContact O-N 3.22Å; Q30-Y34 WeakPolarHBondContact O-CD2 3.11Å; Q30-N46 CarbonylContact C-O 3.35Å; Q30-N46 VanDerWaalsContact CA-O 3.26Å; Q30-N46 WeakPolarHBondContact CA-O 3.36Å; Q30-N46 WeakPolarHBondContact CB-O 3.26Å; Q30-N47 PolarHBondContact NE2-OD1 3.36Å | ||
| 31 | T | 94 | Very high | 76.3 | Confident | 1 Ų | 1 | 97.9 Ų | 97.9 | 1% | 0.006 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -68.7 | -31.4 | 178.2 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | E33 Y34 Y35 F45 N46 P48 V77 M80 | T31-E33 PolarHBondContact O-N 3.16Å; T31-Y34 PolarHBondContact O-N 3.23Å; T31-Y34 VanDerWaalsContact O-N 3.16Å; T31-Y35 PolarHBondContact O-N 2.96Å; T31-F45 WeakPolarHBondContact CG2-O 3.49Å; T31-F45 PolarHBondContact OG1-O 3.11Å; T31-N46 PolarHBondContact N-O 3.32Å; T31-N46 PolarHBondContact N-OD1 3.46Å; T31-N46 WeakPolarHBondContact OG1-CA 3.41Å; T31-N46 PolarHBondContact OG1-OD1 3Å; T31-P48 HydrophobicContact CG2-CG 3.97Å; T31-V77 HydrophobicContact CG2-CB 4.27Å; T31-V77 HydrophobicContact CG2-CG1 4.31Å; T31-M80 HydrophobicContact CG2-CB 3.37Å; T31-M80 HydrophobicContact CG2-CG 3.67Å |
| 32 | S | 94.2 | Very high | 79 | Confident | 49 Ų | 49 | 96.5 Ų | 96.5 | 34% | 0.343 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -20.8 | 173.9 | 53 | 0 | 0 | 0 | 0 | 114.5 | Q30 Y35 N46 | Q30-S32 VanDerWaalsContact C-N 3.27Å; Q30-S32 PolarHBondContact O-N 2.86Å; S32-Y35 WeakPolarHBondContact CA-O 3.39Å; S32-N46 WeakPolarHBondContact CB-OD1 3.33Å; S32-N46 PolarHBondContact N-OD1 2.88Å; S32-N46 PolarHBondContact OG-ND2 3.01Å; S32-N46 PolarHBondContact OG-OD1 3.08Å; S32-N46 VanDerWaalsContact OG-OD1 3.08Å |
| 33 | E | 94 | Very high | 81.8 | Confident | 118 Ų | 118 | 97.7 Ų | 97.7 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -74.4 | -27.3 | 176.9 | -67.4 | 168.7 | 170.5 | 0 | 0 | 112.2 | S29 Q30 T31 | S29-E33 WeakPolarHBondContact CA-OE2 3.43Å; Q30-E33 HydrophobicContact CB-CG 4.1Å; Q30-E33 PolarHBondContact N-OE2 3.22Å; Q30-E33 WeakPolarHBondContact O-CB 3.45Å; Q30-E33 PolarHBondContact O-N 3.22Å; T31-E33 PolarHBondContact O-N 3.16Å |
| 34 | Y | 95 | Very high | 84.3 | Confident | 125 Ų | 125 | 100.2 Ų | 100.2 | 49% | 0.49 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -111 | -26.6 | -174.8 | -61.7 | -93 | 0 | 0 | 0 | 112.9 | S29 Q30 T31 V77 | S29-Y34 PolarHBondContact OG-OH 3.4Å; Q30-Y34 WeakPolarHBondContact O-CD2 3.11Å; T31-Y34 PolarHBondContact O-N 3.23Å; T31-Y34 VanDerWaalsContact O-N 3.16Å; Y34-V77 HydrophobicContact CD2-CB 4.16Å; Y34-V77 HydrophobicContact CD2-CG1 4.17Å; Y34-V77 HydrophobicContact CD2-CG2 3.93Å; Y34-V77 HydrophobicContact CE2-CG1 4.37Å; Y34-V77 HydrophobicContact CE2-CG2 4.25Å; Y34-V77 HydrophobicContact CG-CG2 4.23Å |
| 35 | Y | 96.1 | Very high | 86.9 | Confident | 100 Ų | 100 | 94 Ų | 94 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -134.6 | 152.6 | -174.6 | -59.8 | -77.2 | 0 | 0 | 0 | 111.9 | T31 S32 I37 V77 H78 V82 | T31-Y35 PolarHBondContact O-N 2.96Å; S32-Y35 WeakPolarHBondContact CA-O 3.39Å; Y35-I37 PolarHBondContact O-N 3.37Å; Y35-V77 WeakPolarHBondContact CE2-O 3.14Å; Y35-H78 AromaticContact CE2-ND1 3.55Å; Y35-H78 AromaticContact CZ-ND1 3.59Å; Y35-H78 PolarHBondContact OH-ND1 3.3Å; Y35-V82 HydrophobicContact CG-CG1 4.28Å |
| 36 | R | 96.3 | Very high | 89.4 | Confident | 243 Ų | 243 | 89.4 Ų | 89.4 | 92% | 0.917 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 117.1 | 169.3 | -65.4 | -178.7 | -179.6 | 175.2 | 0.5 | 109.1 | ||
| 37 | I | 95.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 82.9 Ų | 82.9 | 28% | 0.277 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 153.9 | 179.3 | 62.9 | 161.4 | 0 | 0 | 0 | 112.1 | Y35 L41 N46 V82 | Y35-I37 PolarHBondContact O-N 3.37Å; I37-L41 HydrophobicContact CB-CD2 3.91Å; I37-L41 HydrophobicContact CD1-CD2 4.2Å; I37-L41 HydrophobicContact CG2-CD2 3.94Å; I37-N46 HydrophobicContact CD1-CB 4.34Å; I37-V82 HydrophobicContact CG2-CG1 4.45Å |
| 38 | D | 95.5 | Very high | 93.2 | Very high | 47 Ų | 47 | 79.7 Ų | 79.7 | 25% | 0.251 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 141.7 | 169.7 | -167.3 | -73.9 | 0 | 0 | 0 | 111 | R40 L41 V82 V83 | D38-R40 PolarHBondContact O-N 2.86Å; D38-R40 WeakPolarHBondContact OD1-CA 3.41Å; D38-R40 VanDerWaalsContact OD1-CB 3.23Å; D38-R40 WeakPolarHBondContact OD1-CB 3.28Å; D38-R40 WeakPolarHBondContact OD1-CG 3.3Å; D38-R40 PolarHBondContact OD1-N 2.96Å; D38-L41 WeakPolarHBondContact O-CB 3.15Å; D38-L41 PolarHBondContact O-N 3.08Å; D38-V82 PolarHBondContact N-O 3.38Å; D38-V83 HydrophobicContact CB-CG1 4.32Å; D38-V83 HydrophobicContact CB-CG2 4.17Å |
| 39 | K | 93.6 | Very high | 94 | Very high | 216 Ų | 216 | 81.9 Ų | 81.9 | 94% | 0.939 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.7 | 178.6 | -63.7 | -177.9 | -179.8 | -178.9 | 0 | 113.4 | L41 | K39-L41 VanDerWaalsContact C-N 3.34Š|
| 40 | R | 94 | Very high | 94.2 | Very high | 201 Ų | 201 | 84.5 Ų | 84.5 | 76% | 0.758 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1.5 | 179.9 | -51.1 | 174.2 | -163.7 | 169.3 | 6.1 | 112.1 | D38 P42 | D38-R40 PolarHBondContact O-N 2.86Å; D38-R40 WeakPolarHBondContact OD1-CA 3.41Å; D38-R40 VanDerWaalsContact OD1-CB 3.23Å; D38-R40 WeakPolarHBondContact OD1-CB 3.28Å; D38-R40 WeakPolarHBondContact OD1-CG 3.3Å; D38-R40 PolarHBondContact OD1-N 2.96Å; R40-P42 WeakPolarHBondContact O-CD 3.41Å |
| 41 | L | 95.2 | Very high | 94.1 | Very high | 19 Ų | 19 | 83.9 Ų | 83.9 | 10% | 0.099 | 37% | 0.365 | C | S | . | . | trans | -60.6 | 126.1 | -179.6 | -173.3 | 70.8 | 0 | 0 | 0 | 110 | I37 D38 K39 Y43 F45 N81 | I37-L41 HydrophobicContact CB-CD2 3.91Å; I37-L41 HydrophobicContact CD1-CD2 4.2Å; I37-L41 HydrophobicContact CG2-CD2 3.94Å; D38-L41 WeakPolarHBondContact O-CB 3.15Å; D38-L41 PolarHBondContact O-N 3.08Å; K39-L41 VanDerWaalsContact C-N 3.34Å; L41-Y43 PolarHBondContact O-N 3.12Å; L41-F45 HydrophobicContact CD1-CB 3.85Å; L41-F45 HydrophobicContact CD1-CD2 3.94Å; L41-F45 HydrophobicContact CD1-CG 4.34Å; L41-F45 HydrophobicContact CD2-CB 4Å; L41-F45 HydrophobicContact CG-CB 3.86Å; L41-N81 WeakPolarHBondContact CD1-O 3.37Å; L41-N81 WeakPolarHBondContact CD2-O 3.49Å | ||
| 42 | P | 94.7 | Very high | 93.8 | Very high | 40 Ų | 40 | 86.9 Ų | 86.9 | 26% | 0.26 | 40% | 0.395 | S | S | . | . | trans | -52.8 | 136.4 | 174.6 | -29.7 | 33 | 0 | 0 | 0 | 112.9 | R40 R44 F45 Y84 | R40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-R44 HydrophobicContact CB-CG 4.48Å; P42-R44 PolarHBondContact O-N 3.22Å; P42-F45 HydrophobicContact CB-CD2 3.83Å; P42-F45 HydrophobicContact CB-CE2 4.2Å; P42-F45 HydrophobicContact CG-CD2 3.8Å; P42-F45 HydrophobicContact CG-CE2 3.92Å; P42-F45 PolarHBondContact O-N 2.96Å; P42-Y84 HydrophobicContact CG-CD1 3.57Å; P42-Y84 HydrophobicContact CG-CE1 4.16Å; P42-Y84 HydrophobicContact CG-CG 4.4Å | ||
| 43 | Y | 93.5 | Very high | 93.5 | Very high | 138 Ų | 138 | 88 Ų | 88 | 54% | 0.541 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -47 | -41.3 | -177.4 | 171 | -102 | 0 | 0 | 0 | 113.9 | L27 L41 F45 N46 N47 K50 | L27-Y43 WeakPolarHBondContact CD2-OH 3.46Å; L41-Y43 PolarHBondContact O-N 3.12Å; Y43-F45 VanDerWaalsContact C-N 3.29Å; Y43-F45 PolarHBondContact O-N 2.84Å; Y43-N46 PolarHBondContact O-N 3.3Å; Y43-N46 VanDerWaalsContact O-N 3.11Å; Y43-N47 WeakPolarHBondContact CD2-ND2 3.37Å; Y43-N47 WeakPolarHBondContact CE2-ND2 3.4Å; Y43-N47 PolarHBondContact O-N 2.86Å; Y43-N47 PolarHBondContact O-ND2 3.13Å; Y43-K50 HydrophobicContact CE1-CD 4.26Å; Y43-K50 HydrophobicContact CE1-CG 4.18Å; Y43-K50 VanDerWaalsContact OH-CE 3.28Å; Y43-K50 WeakPolarHBondContact OH-CE 3.44Å |
| 44 | R | 93.7 | Very high | 93.2 | Very high | 130 Ų | 130 | 85.9 Ų | 85.9 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 179.1 | 71.2 | -178.9 | -172.3 | -179.4 | 1.6 | 113.3 | P42 N46 N47 K50 F51 | P42-R44 HydrophobicContact CB-CG 4.48Å; P42-R44 PolarHBondContact O-N 3.22Å; R44-N46 VanDerWaalsContact C-N 3.3Å; R44-N47 CarbonylContact O-C 3.58Å; R44-N47 PolarHBondContact O-N 3.28Å; R44-K50 HydrophobicContact CB-CB 4.43Å; R44-F51 HydrophobicContact CB-CE2 4.29Å; R44-F51 HydrophobicContact CG-CE2 4.3Å; R44-F51 HydrophobicContact CG-CZ 4.11Å; R44-F51 VanDerWaalsContact O-CE2 3.3Å; R44-F51 WeakPolarHBondContact O-CE2 3.36Å |
| 45 | F | 94.8 | Very high | 92.4 | Very high | 16 Ų | 16 | 86.7 Ų | 86.7 | 7% | 0.07 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -75.1 | -22 | 178.7 | -63.9 | -46.1 | 0 | 0 | 0 | 112.2 | T31 L41 P42 Y43 N47 F51 M80 Y84 | T31-F45 WeakPolarHBondContact CG2-O 3.49Å; T31-F45 PolarHBondContact OG1-O 3.11Å; L41-F45 HydrophobicContact CD1-CB 3.85Å; L41-F45 HydrophobicContact CD1-CD2 3.94Å; L41-F45 HydrophobicContact CD1-CG 4.34Å; L41-F45 HydrophobicContact CD2-CB 4Å; L41-F45 HydrophobicContact CG-CB 3.86Å; P42-F45 HydrophobicContact CB-CD2 3.83Å; P42-F45 HydrophobicContact CB-CE2 4.2Å; P42-F45 HydrophobicContact CG-CD2 3.8Å; P42-F45 HydrophobicContact CG-CE2 3.92Å; P42-F45 PolarHBondContact O-N 2.96Å; Y43-F45 VanDerWaalsContact C-N 3.29Å; Y43-F45 PolarHBondContact O-N 2.84Å; F45-N47 VanDerWaalsContact C-N 3.32Å; F45-F51 HydrophobicContact CD1-CE2 4.09Å; F45-F51 AromaticContact CD1-CZ 3.6Å; F45-F51 HydrophobicContact CD1-CZ 3.6Å; F45-F51 HydrophobicContact CE1-CE1 4.46Å; F45-F51 AromaticContact CE1-CZ 3.66Å; F45-F51 HydrophobicContact CE1-CZ 3.66Å; F45-M80 HydrophobicContact CD1-SD 4.08Å; F45-Y84 HydrophobicContact CD2-CD1 4.47Å; F45-Y84 HydrophobicContact CD2-CG 4.21Å; F45-Y84 AromaticContact CE2-CD1 3.73Å; F45-Y84 HydrophobicContact CE2-CD1 3.73Å; F45-Y84 AromaticContact CE2-CD2 3.77Å; F45-Y84 HydrophobicContact CE2-CD2 3.77Å; F45-Y84 HydrophobicContact CE2-CE1 4.05Å; F45-Y84 HydrophobicContact CE2-CE2 4.17Å; F45-Y84 AromaticContact CE2-CG 3.54Å; F45-Y84 HydrophobicContact CE2-CG 3.54Å; F45-Y84 HydrophobicContact CZ-CD2 4.25Å; F45-Y84 HydrophobicContact CZ-CE2 4.34Å; F45-Y84 HydrophobicContact CZ-CG 4.44Å |
| 46 | N | 95.3 | Very high | 91.4 | Very high | 23 Ų | 23 | 88.6 Ų | 88.6 | 12% | 0.123 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -77.2 | -20 | 170.1 | -165.1 | 36.1 | 0 | 0 | 0 | 113.2 | Q30 T31 S32 I37 Y43 R44 P48 | Q30-N46 CarbonylContact C-O 3.35Å; Q30-N46 VanDerWaalsContact CA-O 3.26Å; Q30-N46 WeakPolarHBondContact CA-O 3.36Å; Q30-N46 WeakPolarHBondContact CB-O 3.26Å; T31-N46 PolarHBondContact N-O 3.32Å; T31-N46 PolarHBondContact N-OD1 3.46Å; T31-N46 WeakPolarHBondContact OG1-CA 3.41Å; T31-N46 PolarHBondContact OG1-OD1 3Å; S32-N46 WeakPolarHBondContact CB-OD1 3.33Å; S32-N46 PolarHBondContact N-OD1 2.88Å; S32-N46 PolarHBondContact OG-ND2 3.01Å; S32-N46 PolarHBondContact OG-OD1 3.08Å; S32-N46 VanDerWaalsContact OG-OD1 3.08Å; I37-N46 HydrophobicContact CD1-CB 4.34Å; Y43-N46 PolarHBondContact O-N 3.3Å; Y43-N46 VanDerWaalsContact O-N 3.11Å; R44-N46 VanDerWaalsContact C-N 3.3Å; N46-P48 WeakPolarHBondContact O-CD 3.47Å |
| 47 | N | 94.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 82.8 Ų | 82.8 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | trans | -125.6 | 85.7 | -172.6 | -61 | -94.4 | 0 | 0 | 0 | 109.8 | Q30 Y43 R44 F45 D49 K50 | Q30-N47 PolarHBondContact NE2-OD1 3.36Å; Y43-N47 WeakPolarHBondContact CD2-ND2 3.37Å; Y43-N47 WeakPolarHBondContact CE2-ND2 3.4Å; Y43-N47 PolarHBondContact O-N 2.86Å; Y43-N47 PolarHBondContact O-ND2 3.13Å; R44-N47 CarbonylContact O-C 3.58Å; R44-N47 PolarHBondContact O-N 3.28Å; F45-N47 VanDerWaalsContact C-N 3.32Å; N47-D49 PolarHBondContact O-N 3.09Å; N47-D49 VanDerWaalsContact O-N 3.12Å; N47-K50 HydrophobicContact CB-CG 3.7Å; N47-K50 VanDerWaalsContact O-CB 3.3Å; N47-K50 WeakPolarHBondContact O-CB 3.48Å; N47-K50 WeakPolarHBondContact O-CG 3.46Å; N47-K50 PolarHBondContact O-N 3.39Å | ||
| 48 | P | 93.2 | Very high | 89.9 | Confident | 6 Ų | 6 | 90.3 Ų | 90.3 | 4% | 0.039 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -55.1 | -33.2 | -174 | -24.2 | 31.5 | 0 | 0 | 0 | 115.2 | S29 T31 N46 K50 F51 V77 M80 | S29-P48 WeakPolarHBondContact O-CD 3.05Å; T31-P48 HydrophobicContact CG2-CG 3.97Å; N46-P48 WeakPolarHBondContact O-CD 3.47Å; P48-K50 PolarHBondContact O-N 2.9Å; P48-K50 VanDerWaalsContact O-N 3.08Å; P48-F51 WeakPolarHBondContact O-CB 3.45Å; P48-F51 WeakPolarHBondContact O-CD2 3.21Å; P48-F51 PolarHBondContact O-N 3.35Å; P48-V77 HydrophobicContact CG-CG1 3.82Å; P48-M80 HydrophobicContact CB-CE 3.82Å; P48-M80 HydrophobicContact CB-CG 4.29Å; P48-M80 HydrophobicContact CG-CE 4.36Å; P48-M80 HydrophobicContact CG-CG 3.88Å |
| 49 | D | 90.9 | Very high | 89.3 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 40% | 0.401 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -66.8 | -10.3 | 178.7 | -66.1 | -39.3 | 0 | 0 | 0 | 113.9 | G28 N47 F51 K74 | G28-D49 WeakPolarHBondContact CA-OD2 3.3Å; G28-D49 PolarHBondContact N-OD2 2.97Å; N47-D49 PolarHBondContact O-N 3.09Å; N47-D49 VanDerWaalsContact O-N 3.12Å; D49-F51 PolarHBondContact O-N 2.92Å; D49-K74 IonicContact OD1-NZ 3.22Å; D49-K74 PolarHBondContact OD1-NZ 2.61Å |
| 50 | K | 90.9 | Very high | 89.1 | Confident | 109 Ų | 109 | 86 Ų | 86 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -72.3 | -11.7 | 171.5 | -61.2 | -64.5 | 178.3 | -179.4 | 0 | 112.8 | Y43 R44 N47 P48 G52 | Y43-K50 HydrophobicContact CE1-CD 4.26Å; Y43-K50 HydrophobicContact CE1-CG 4.18Å; Y43-K50 VanDerWaalsContact OH-CE 3.28Å; Y43-K50 WeakPolarHBondContact OH-CE 3.44Å; R44-K50 HydrophobicContact CB-CB 4.43Å; N47-K50 HydrophobicContact CB-CG 3.7Å; N47-K50 VanDerWaalsContact O-CB 3.3Å; N47-K50 WeakPolarHBondContact O-CB 3.48Å; N47-K50 WeakPolarHBondContact O-CG 3.46Å; N47-K50 PolarHBondContact O-N 3.39Å; P48-K50 PolarHBondContact O-N 2.9Å; P48-K50 VanDerWaalsContact O-N 3.08Å; K50-G52 PolarHBondContact O-N 2.83Å |
| 51 | F | 90.6 | Very high | 88.7 | Confident | 48 Ų | 48 | 81.8 Ų | 81.8 | 21% | 0.211 | 43% | 0.431 | C | S | . | . | trans | -86.3 | 101.6 | 174.3 | -72.6 | -95 | 0 | 0 | 0 | 110.6 | R44 F45 P48 D49 Y54 P75 M80 | R44-F51 HydrophobicContact CB-CE2 4.29Å; R44-F51 HydrophobicContact CG-CE2 4.3Å; R44-F51 HydrophobicContact CG-CZ 4.11Å; R44-F51 VanDerWaalsContact O-CE2 3.3Å; R44-F51 WeakPolarHBondContact O-CE2 3.36Å; F45-F51 HydrophobicContact CD1-CE2 4.09Å; F45-F51 AromaticContact CD1-CZ 3.6Å; F45-F51 HydrophobicContact CD1-CZ 3.6Å; F45-F51 HydrophobicContact CE1-CE1 4.46Å; F45-F51 AromaticContact CE1-CZ 3.66Å; F45-F51 HydrophobicContact CE1-CZ 3.66Å; P48-F51 WeakPolarHBondContact O-CB 3.45Å; P48-F51 WeakPolarHBondContact O-CD2 3.21Å; P48-F51 PolarHBondContact O-N 3.35Å; D49-F51 PolarHBondContact O-N 2.92Å; F51-Y54 HydrophobicContact CB-CE2 4.07Å; F51-P75 HydrophobicContact CB-CG 4.09Å; F51-P75 HydrophobicContact CD1-CG 4.48Å; F51-P75 HydrophobicContact CG-CG 4.23Å; F51-M80 HydrophobicContact CD2-CE 3.15Å; F51-M80 HydrophobicContact CD2-SD 4.38Å; F51-M80 HydrophobicContact CE2-CE 3.11Å; F51-M80 HydrophobicContact CE2-SD 3.76Å; F51-M80 HydrophobicContact CG-CE 3.98Å; F51-M80 HydrophobicContact CZ-CE 3.94Å; F51-M80 HydrophobicContact CZ-SD 4.24Å | ||
| 52 | G | 89 | Confident | 88.5 | Confident | 63 Ų | 63 | 87.4 Ų | 87.4 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | trans | -89.4 | 170 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K50 | K50-G52 PolarHBondContact O-N 2.83Š| ||
| 53 | G | 87.7 | Confident | 88.2 | Confident | 73 Ų | 73 | 93.1 Ų | 93.1 | 75% | 0.753 | 48% | 0.478 | S | S | * | . | trans | 93.5 | 2.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 54 | Y | 88.5 | Confident | 88 | Confident | 73 Ų | 73 | 91.6 Ų | 91.6 | 29% | 0.286 | 47% | 0.472 | S | S | . | . | trans | -86.3 | -14.6 | 174.6 | -66.1 | -88.9 | 0 | 0 | 0 | 112.9 | F51 R56 L73 K74 P75 | F51-Y54 HydrophobicContact CB-CE2 4.07Å; Y54-R56 PolarHBondContact O-N 3.37Å; Y54-L73 WeakPolarHBondContact CD1-O 3.5Å; Y54-K74 HydrophobicContact CD2-CB 4.34Å; Y54-K74 HydrophobicContact CG-CB 4.12Å; Y54-P75 HydrophobicContact CD2-CG 4.47Å; Y54-P75 HydrophobicContact CE1-CG 4.38Å; Y54-P75 HydrophobicContact CE2-CG 3.78Å; Y54-P75 VanDerWaalsContact CZ-CD 3.48Å | ||
| 55 | D | 76.9 | Confident | 87.9 | Confident | 142 Ų | 142 | 89.1 Ų | 89.1 | 76% | 0.759 | 47% | 0.471 | S | S | * | . | trans | -75.3 | 91.1 | 174.7 | -54.6 | -53.4 | 0 | 0 | 0 | 109.4 | ||||
| 56 | R | 75.7 | Confident | 87.7 | Confident | 141 Ų | 141 | 94.2 Ų | 94.2 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | trans | -81.8 | 147.7 | 173.7 | -64.4 | -167.7 | -177.1 | -146.1 | 4.1 | 110.4 | Y54 K58 Y70 | Y54-R56 PolarHBondContact O-N 3.37Å; R56-K58 PolarHBondContact O-N 3.01Å; R56-Y70 PolarHBondContact NH2-O 3.3Å | ||
| 57 | P | 78.8 | Confident | 87.5 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 78% | 0.779 | 53% | 0.531 | S | S | * | . | trans | -50.3 | 137.7 | 167.6 | -24.1 | 32.9 | 0 | 0 | 0 | 110.1 | L59 | P57-L59 VanDerWaalsContact C-N 3.33Å; P57-L59 PolarHBondContact O-N 2.8Å | ||
| 58 | K | 81.1 | Confident | 87.2 | Confident | 212 Ų | 212 | 100.2 Ų | 100.2 | 92% | 0.922 | 54% | 0.537 | S | S | * | . | trans | -62.7 | 95 | 177.6 | -174.3 | 179.2 | 179.9 | -179.5 | 0 | 109 | R56 | R56-K58 PolarHBondContact O-N 3.01Š| ||
| 59 | L | 83.1 | Confident | 87 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | trans | -70.3 | 142.7 | 174.7 | -174 | 57.6 | 0 | 0 | 0 | 109.2 | P57 Y63 R64 | P57-L59 VanDerWaalsContact C-N 3.33Å; P57-L59 PolarHBondContact O-N 2.8Å; L59-Y63 WeakPolarHBondContact CD2-O 3.41Å; L59-R64 HydrophobicContact CD2-CB 4.47Å | ||
| 60 | N | 88 | Confident | 86.9 | Confident | 84 Ų | 84 | 110.4 Ų | 110.4 | 45% | 0.449 | 58% | 0.575 | S | S | . | * | trans | -57.3 | 129.7 | 172 | -173 | -47.4 | 0 | 0 | 0 | 108.8 | L62 Y63 R64 | N60-L62 PolarHBondContact O-N 3.44Å; N60-L62 VanDerWaalsContact OD1-CB 3.23Å; N60-L62 WeakPolarHBondContact OD1-CB 3.15Å; N60-L62 PolarHBondContact OD1-N 3.44Å; N60-Y63 HydrophobicContact CB-CD2 3.73Å; N60-Y63 HydrophobicContact CB-CE2 4.4Å; N60-Y63 PolarHBondContact O-N 3.04Å; N60-R64 PolarHBondContact O-N 3.36Å | ||
| 61 | P | 86.1 | Confident | 86.8 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 73% | 0.727 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -50.9 | -31.4 | 177.7 | -28.3 | 35.4 | 0 | 0 | 0 | 113.9 | Y63 | P61-Y63 VanDerWaalsContact C-N 3.35Å; P61-Y63 PolarHBondContact O-N 3.04Å |
| 62 | L | 91 | Very high | 86.7 | Confident | 137 Ų | 137 | 109.9 Ų | 109.9 | 72% | 0.717 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -70.2 | -26.1 | 178.6 | -168.5 | 65.2 | 0 | 0 | 0 | 113.8 | N60 | N60-L62 PolarHBondContact O-N 3.44Å; N60-L62 VanDerWaalsContact OD1-CB 3.23Å; N60-L62 WeakPolarHBondContact OD1-CB 3.15Å; N60-L62 PolarHBondContact OD1-N 3.44Å |
| 63 | Y | 89.6 | Confident | 86.8 | Confident | 160 Ų | 160 | 112.5 Ų | 112.5 | 63% | 0.627 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -104.8 | 14.2 | -179.4 | -58 | -54.8 | 0 | 0 | 0 | 112.9 | L59 N60 P61 T65 | L59-Y63 WeakPolarHBondContact CD2-O 3.41Å; N60-Y63 HydrophobicContact CB-CD2 3.73Å; N60-Y63 HydrophobicContact CB-CE2 4.4Å; N60-Y63 PolarHBondContact O-N 3.04Å; P61-Y63 VanDerWaalsContact C-N 3.35Å; P61-Y63 PolarHBondContact O-N 3.04Å; Y63-T65 PolarHBondContact O-N 3.41Å |
| 64 | R | 89.1 | Confident | 87 | Confident | 106 Ų | 106 | 114.5 Ų | 114.5 | 40% | 0.4 | 56% | 0.563 | S | S | . | * | trans | -76.4 | 124 | 179.9 | -172.1 | 178.9 | -178.5 | 160.7 | 3.2 | 110.9 | L59 N60 E69 R72 | L59-R64 HydrophobicContact CD2-CB 4.47Å; N60-R64 PolarHBondContact O-N 3.36Å; R64-E69 IonicContact CZ-OE1 3.83Å; R64-E69 IonicContact CZ-OE2 3.44Å; R64-E69 IonicContact NE-OE1 2.89Å; R64-E69 PolarHBondContact NE-OE1 2.87Å; R64-E69 IonicContact NH1-OE1 2.86Å; R64-E69 IonicContact NH2-OE1 3.01Å; R64-E69 PolarHBondContact NH2-OE1 2.87Å; R64-E69 IonicContact NH2-OE2 2.61Å; R64-E69 PolarHBondContact NH2-OE2 3.01Å; R64-R72 VanDerWaalsContact NH2-NE 3.11Å | ||
| 65 | T | 90.3 | Very high | 87.2 | Confident | 78 Ų | 78 | 111.9 Ų | 111.9 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | trans | -88.4 | 157.8 | 172.3 | 62.9 | 0 | 0 | 0 | 0 | 110.9 | Y63 N67 S68 | Y63-T65 PolarHBondContact O-N 3.41Å; T65-N67 PolarHBondContact O-N 3.05Å; T65-S68 PolarHBondContact N-OG 2.85Å; T65-S68 WeakPolarHBondContact O-CB 3.37Å; T65-S68 PolarHBondContact O-N 2.75Å; T65-S68 PolarHBondContact O-OG 3.42Å; T65-S68 PolarHBondContact OG1-N 3.18Å; T65-S68 PolarHBondContact OG1-OG 3.49Å | ||
| 66 | T | 90.9 | Very high | 87.9 | Confident | 122 Ų | 122 | 108.6 Ų | 108.6 | 75% | 0.748 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -57.9 | -36.1 | 173 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | S68 E69 | T66-S68 PolarHBondContact O-N 2.98Å; T66-S68 VanDerWaalsContact O-N 3.15Å; T66-E69 WeakPolarHBondContact O-CB 3.23Å; T66-E69 PolarHBondContact O-N 2.93Å; T66-E69 VanDerWaalsContact O-N 3.11Å |
| 67 | N | 91 | Very high | 88.8 | Confident | 132 Ų | 132 | 102.5 Ų | 102.5 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -62.8 | -18.9 | 174.5 | -66.5 | -9.5 | 0 | 0 | 0 | 113.3 | T65 E69 Y70 | T65-N67 PolarHBondContact O-N 3.05Å; N67-E69 PolarHBondContact O-N 3.04Å; N67-Y70 PolarHBondContact O-N 3.31Å |
| 68 | S | 88.4 | Confident | 89.6 | Confident | 21 Ų | 21 | 102.2 Ų | 102.2 | 15% | 0.147 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -74.3 | -11 | 176.6 | -55.1 | 0 | 0 | 0 | 0 | 113.2 | T65 T66 | T65-S68 PolarHBondContact N-OG 2.85Å; T65-S68 WeakPolarHBondContact O-CB 3.37Å; T65-S68 PolarHBondContact O-N 2.75Å; T65-S68 PolarHBondContact O-OG 3.42Å; T65-S68 PolarHBondContact OG1-N 3.18Å; T65-S68 PolarHBondContact OG1-OG 3.49Å; T66-S68 PolarHBondContact O-N 2.98Å; T66-S68 VanDerWaalsContact O-N 3.15Å |
| 69 | E | 88.4 | Confident | 90.2 | Very high | 99 Ų | 99 | 96.2 Ų | 96.2 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -70.4 | -36.8 | 170.6 | -66.6 | -57.3 | 146.8 | 0 | 0 | 111.8 | R64 T66 N67 G71 R72 | R64-E69 IonicContact CZ-OE1 3.83Å; R64-E69 IonicContact CZ-OE2 3.44Å; R64-E69 IonicContact NE-OE1 2.89Å; R64-E69 PolarHBondContact NE-OE1 2.87Å; R64-E69 IonicContact NH1-OE1 2.86Å; R64-E69 IonicContact NH2-OE1 3.01Å; R64-E69 PolarHBondContact NH2-OE1 2.87Å; R64-E69 IonicContact NH2-OE2 2.61Å; R64-E69 PolarHBondContact NH2-OE2 3.01Å; T66-E69 WeakPolarHBondContact O-CB 3.23Å; T66-E69 PolarHBondContact O-N 2.93Å; T66-E69 VanDerWaalsContact O-N 3.11Å; N67-E69 PolarHBondContact O-N 3.04Å; E69-G71 PolarHBondContact O-N 3.39Å; E69-R72 WeakPolarHBondContact O-CB 3.46Å; E69-R72 PolarHBondContact O-N 2.8Å; E69-R72 IonicContact OE2-NE 3.77Å; E69-R72 PolarHBondContact OE2-NE 3.11Å |
| 70 | Y | 90.8 | Very high | 90.7 | Very high | 197 Ų | 197 | 93 Ų | 93 | 77% | 0.773 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 128.9 | -178.5 | -177.7 | -98.9 | 0 | 0 | 0 | 111.1 | R56 N67 R72 | R56-Y70 PolarHBondContact NH2-O 3.3Å; N67-Y70 PolarHBondContact O-N 3.31Å; Y70-R72 PolarHBondContact O-N 3.4Å |
| 71 | G | 88.6 | Confident | 91 | Very high | 26 Ų | 26 | 93 Ų | 93 | 27% | 0.268 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 20.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E69 | E69-G71 PolarHBondContact O-N 3.39Š|
| 72 | R | 88 | Confident | 91.4 | Very high | 120 Ų | 120 | 90.4 Ų | 90.4 | 45% | 0.453 | 45% | 0.45 | S | S | . | . | trans | -72 | -36.9 | 172.9 | 178.6 | 174 | 74 | 96.5 | -2 | 113.1 | R64 E69 Y70 | R64-R72 VanDerWaalsContact NH2-NE 3.11Å; E69-R72 WeakPolarHBondContact O-CB 3.46Å; E69-R72 PolarHBondContact O-N 2.8Å; E69-R72 IonicContact OE2-NE 3.77Å; E69-R72 PolarHBondContact OE2-NE 3.11Å; Y70-R72 PolarHBondContact O-N 3.4Å | ||
| 73 | L | 90 | Very high | 91.7 | Very high | 117 Ų | 117 | 86.6 Ų | 86.6 | 61% | 0.613 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -97.6 | 130.5 | -172.1 | -62.2 | 177.1 | 0 | 0 | 0 | 110 | Y54 | Y54-L73 WeakPolarHBondContact CD1-O 3.5Š|
| 74 | K | 91.9 | Very high | 92 | Very high | 115 Ų | 115 | 83.5 Ų | 83.5 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 145.5 | 171.3 | 72.4 | 170.3 | -174.7 | 164.8 | 0 | 110.7 | D49 Y54 | D49-K74 IonicContact OD1-NZ 3.22Å; D49-K74 PolarHBondContact OD1-NZ 2.61Å; Y54-K74 HydrophobicContact CD2-CB 4.34Å; Y54-K74 HydrophobicContact CG-CB 4.12Å |
| 75 | P | 93.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 87.1 Ų | 87.1 | 12% | 0.117 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 141.1 | 169.2 | -26.3 | 35.9 | 0 | 0 | 0 | 111.5 | F51 Y54 T79 M80 | F51-P75 HydrophobicContact CB-CG 4.09Å; F51-P75 HydrophobicContact CD1-CG 4.48Å; F51-P75 HydrophobicContact CG-CG 4.23Å; Y54-P75 HydrophobicContact CD2-CG 4.47Å; Y54-P75 HydrophobicContact CE1-CG 4.38Å; Y54-P75 HydrophobicContact CE2-CG 3.78Å; Y54-P75 VanDerWaalsContact CZ-CD 3.48Å; P75-T79 WeakPolarHBondContact CA-OG1 3.23Å; P75-M80 HydrophobicContact CB-CE 3.24Å; P75-M80 HydrophobicContact CB-SD 4.46Å; P75-M80 HydrophobicContact CG-CE 4.16Å |
| 76 | N | 92.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 88.6 Ų | 88.6 | 39% | 0.39 | 44% | 0.44 | S | S | . | . | trans | -123 | 178.6 | 173.9 | 68.9 | 29.8 | 0 | 0 | 0 | 110.8 | H78 T79 M80 | N76-H78 PolarHBondContact O-N 3.48Å; N76-H78 VanDerWaalsContact O-N 3.13Å; N76-H78 WeakPolarHBondContact OD1-CA 3.11Å; N76-H78 WeakPolarHBondContact OD1-CB 3.39Å; N76-H78 PolarHBondContact OD1-N 3.46Å; N76-T79 PolarHBondContact N-OG1 2.95Å; N76-T79 PolarHBondContact O-N 2.89Å; N76-T79 VanDerWaalsContact O-N 3.09Å; N76-T79 PolarHBondContact O-OG1 3.3Å; N76-T79 WeakPolarHBondContact OD1-CG2 3.47Å; N76-T79 PolarHBondContact OD1-N 2.93Å; N76-T79 PolarHBondContact OD1-OG1 3.15Å; N76-M80 WeakPolarHBondContact O-CG 3.39Å; N76-M80 PolarHBondContact O-N 3.46Å | ||
| 77 | V | 94.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 91.8 Ų | 91.8 | 8% | 0.079 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28 | -178.3 | -65.2 | 0 | 0 | 0 | 0 | 114.1 | S29 T31 Y34 Y35 P48 | S29-V77 WeakPolarHBondContact O-CG1 3.47Å; T31-V77 HydrophobicContact CG2-CB 4.27Å; T31-V77 HydrophobicContact CG2-CG1 4.31Å; Y34-V77 HydrophobicContact CD2-CB 4.16Å; Y34-V77 HydrophobicContact CD2-CG1 4.17Å; Y34-V77 HydrophobicContact CD2-CG2 3.93Å; Y34-V77 HydrophobicContact CE2-CG1 4.37Å; Y34-V77 HydrophobicContact CE2-CG2 4.25Å; Y34-V77 HydrophobicContact CG-CG2 4.23Å; Y35-V77 WeakPolarHBondContact CE2-O 3.14Å; P48-V77 HydrophobicContact CG-CG1 3.82Å |
| 78 | H | 94.9 | Very high | 92.5 | Very high | 114 Ų | 114 | 91.4 Ų | 91.4 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -15.1 | -178.1 | -51.2 | -63.1 | 0 | 0 | 0 | 113.4 | Y35 N76 | Y35-H78 AromaticContact CE2-ND1 3.55Å; Y35-H78 AromaticContact CZ-ND1 3.59Å; Y35-H78 PolarHBondContact OH-ND1 3.3Å; N76-H78 PolarHBondContact O-N 3.48Å; N76-H78 VanDerWaalsContact O-N 3.13Å; N76-H78 WeakPolarHBondContact OD1-CA 3.11Å; N76-H78 WeakPolarHBondContact OD1-CB 3.39Å; N76-H78 PolarHBondContact OD1-N 3.46Å |
| 79 | T | 94 | Very high | 92.8 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 53% | 0.534 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -11.3 | 175.1 | 59 | 0 | 0 | 0 | 0 | 113.3 | P75 N76 | P75-T79 WeakPolarHBondContact CA-OG1 3.23Å; N76-T79 PolarHBondContact N-OG1 2.95Å; N76-T79 PolarHBondContact O-N 2.89Å; N76-T79 VanDerWaalsContact O-N 3.09Å; N76-T79 PolarHBondContact O-OG1 3.3Å; N76-T79 WeakPolarHBondContact OD1-CG2 3.47Å; N76-T79 PolarHBondContact OD1-N 2.93Å; N76-T79 PolarHBondContact OD1-OG1 3.15Å |
| 80 | M | 94 | Very high | 93.2 | Very high | 21 Ų | 21 | 95.6 Ų | 95.6 | 10% | 0.103 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -78.3 | 147.2 | -177.4 | -79.3 | -55.3 | 168.5 | 0 | 0 | 113 | T31 F45 P48 F51 P75 N76 | T31-M80 HydrophobicContact CG2-CB 3.37Å; T31-M80 HydrophobicContact CG2-CG 3.67Å; F45-M80 HydrophobicContact CD1-SD 4.08Å; P48-M80 HydrophobicContact CB-CE 3.82Å; P48-M80 HydrophobicContact CB-CG 4.29Å; P48-M80 HydrophobicContact CG-CE 4.36Å; P48-M80 HydrophobicContact CG-CG 3.88Å; F51-M80 HydrophobicContact CD2-CE 3.15Å; F51-M80 HydrophobicContact CD2-SD 4.38Å; F51-M80 HydrophobicContact CE2-CE 3.11Å; F51-M80 HydrophobicContact CE2-SD 3.76Å; F51-M80 HydrophobicContact CG-CE 3.98Å; F51-M80 HydrophobicContact CZ-CE 3.94Å; F51-M80 HydrophobicContact CZ-SD 4.24Å; P75-M80 HydrophobicContact CB-CE 3.24Å; P75-M80 HydrophobicContact CB-SD 4.46Å; P75-M80 HydrophobicContact CG-CE 4.16Å; N76-M80 WeakPolarHBondContact O-CG 3.39Å; N76-M80 PolarHBondContact O-N 3.46Å |
| 81 | N | 93.8 | Very high | 93.3 | Very high | 86 Ų | 86 | 92.6 Ų | 92.6 | 46% | 0.46 | 45% | 0.45 | S | S | . | . | trans | -71.2 | 132.4 | 174.3 | -62.8 | -34.2 | 0 | 0 | 0 | 110.6 | L41 | L41-N81 WeakPolarHBondContact CD1-O 3.37Å; L41-N81 WeakPolarHBondContact CD2-O 3.49Å | ||
| 82 | V | 95.7 | Very high | 93.6 | Very high | 57 Ų | 57 | 94 Ų | 94 | 35% | 0.345 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -82.4 | -20.5 | 172.6 | -68.8 | 0 | 0 | 0 | 0 | 113.1 | Y35 I37 D38 | Y35-V82 HydrophobicContact CG-CG1 4.28Å; I37-V82 HydrophobicContact CG2-CG1 4.45Å; D38-V82 PolarHBondContact N-O 3.38Å |
| 83 | V | 96 | Very high | 93.9 | Very high | 57 Ų | 57 | 93.1 Ų | 93.1 | 35% | 0.345 | 46% | 0.455 | S | S | . | . | trans | -138.3 | 141.7 | 178.9 | -174 | 0 | 0 | 0 | 0 | 109.5 | D38 Y85 | D38-V83 HydrophobicContact CB-CG1 4.32Å; D38-V83 HydrophobicContact CB-CG2 4.17Å; V83-Y85 HydrophobicContact CG1-CD2 4.02Å; V83-Y85 HydrophobicContact CG1-CE1 4.07Å; V83-Y85 HydrophobicContact CG1-CE2 3.42Å; V83-Y85 VanDerWaalsContact CG1-CE2 3.42Å; V83-Y85 VanDerWaalsContact CG1-CZ 3.46Å | ||
| 84 | Y | 95.4 | Very high | 94.2 | Very high | 94 Ų | 94 | 94.7 Ų | 94.7 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | trans | -143.1 | 112.3 | 176.1 | -177.8 | -111.6 | 0 | 0 | 0 | 111.7 | P42 F45 N86 | P42-Y84 HydrophobicContact CG-CD1 3.57Å; P42-Y84 HydrophobicContact CG-CE1 4.16Å; P42-Y84 HydrophobicContact CG-CG 4.4Å; F45-Y84 HydrophobicContact CD2-CD1 4.47Å; F45-Y84 HydrophobicContact CD2-CG 4.21Å; F45-Y84 AromaticContact CE2-CD1 3.73Å; F45-Y84 HydrophobicContact CE2-CD1 3.73Å; F45-Y84 AromaticContact CE2-CD2 3.77Å; F45-Y84 HydrophobicContact CE2-CD2 3.77Å; F45-Y84 HydrophobicContact CE2-CE1 4.05Å; F45-Y84 HydrophobicContact CE2-CE2 4.17Å; F45-Y84 AromaticContact CE2-CG 3.54Å; F45-Y84 HydrophobicContact CE2-CG 3.54Å; F45-Y84 HydrophobicContact CZ-CD2 4.25Å; F45-Y84 HydrophobicContact CZ-CE2 4.34Å; F45-Y84 HydrophobicContact CZ-CG 4.44Å; Y84-N86 HydrophobicContact CD1-CB 4.1Å; Y84-N86 HydrophobicContact CE1-CB 3.57Å; Y84-N86 PolarHBondContact O-N 2.92Å | ||
| 85 | Y | 94.6 | Very high | 94.2 | Very high | 183 Ų | 183 | 95.9 Ų | 95.9 | 72% | 0.718 | 46% | 0.455 | S | S | * | . | trans | -97 | 85.4 | 178 | -61.8 | -67.6 | 0 | 0 | 0 | 110.7 | V83 | V83-Y85 HydrophobicContact CG1-CD2 4.02Å; V83-Y85 HydrophobicContact CG1-CE1 4.07Å; V83-Y85 HydrophobicContact CG1-CE2 3.42Å; V83-Y85 VanDerWaalsContact CG1-CE2 3.42Å; V83-Y85 VanDerWaalsContact CG1-CZ 3.46Å | ||
| 86 | N | 92.5 | Very high | 94.1 | Very high | 109 Ų | 109 | 101 Ų | 101 | 58% | 0.583 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 142.2 | 174.7 | 65.3 | -43 | 0 | 0 | 0 | 111.5 | Y84 N88 | Y84-N86 HydrophobicContact CD1-CB 4.1Å; Y84-N86 HydrophobicContact CE1-CB 3.57Å; Y84-N86 PolarHBondContact O-N 2.92Å; N86-N88 PolarHBondContact O-N 3.48Å |
| 87 | K | 93.3 | Very high | 94 | Very high | 189 Ų | 189 | 106.6 Ų | 106.6 | 82% | 0.822 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 117.5 | 166.7 | -67.9 | -175.1 | 178.5 | -179.7 | 0 | 108.8 | Q89 | K87-Q89 PolarHBondContact O-N 3.3Š|
| 88 | N | 92.4 | Very high | 93.8 | Very high | 123 Ų | 123 | 110.2 Ų | 110.2 | 66% | 0.658 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 125.1 | 171 | -175.4 | -0.5 | 0 | 0 | 0 | 109.4 | N86 E90 | N86-N88 PolarHBondContact O-N 3.48Å; N88-E90 WeakPolarHBondContact OD1-CB 3.24Å; N88-E90 VanDerWaalsContact OD1-CG 3.24Å; N88-E90 WeakPolarHBondContact OD1-CG 3.32Å; N88-E90 PolarHBondContact OD1-N 3.14Å |
| 89 | Q | 95.3 | Very high | 93.5 | Very high | 109 Ų | 109 | 107.1 Ų | 107.1 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | trans | -110.1 | 5.3 | 179.7 | -62.6 | -176.5 | 7.5 | 0 | 0 | 113.1 | K87 F91 S92 K93 | K87-Q89 PolarHBondContact O-N 3.3Å; Q89-F91 VanDerWaalsContact C-N 3.29Å; Q89-F91 PolarHBondContact O-N 3.46Å; Q89-S92 PolarHBondContact O-N 3.19Å; Q89-K93 HydrophobicContact CB-CG 4.43Å; Q89-K93 WeakPolarHBondContact O-CB 3.43Å; Q89-K93 WeakPolarHBondContact O-CG 3.15Å; Q89-K93 PolarHBondContact O-N 3.11Å | ||
| 90 | E | 95.9 | Very high | 93.4 | Very high | 100 Ų | 100 | 110.4 Ų | 110.4 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | -175 | -69.1 | -54.1 | 114.8 | 0 | 0 | 112.7 | N88 K93 R94 | N88-E90 WeakPolarHBondContact OD1-CB 3.24Å; N88-E90 VanDerWaalsContact OD1-CG 3.24Å; N88-E90 WeakPolarHBondContact OD1-CG 3.32Å; N88-E90 PolarHBondContact OD1-N 3.14Å; E90-K93 IonicContact OE1-NZ 3.14Å; E90-K93 PolarHBondContact OE1-NZ 3.47Å; E90-K93 VanDerWaalsContact OE1-NZ 3.14Å; E90-R94 WeakPolarHBondContact O-CB 3.27Å; E90-R94 PolarHBondContact O-N 2.85Å; E90-R94 VanDerWaalsContact O-N 3.11Å |
| 91 | F | 93.7 | Very high | 93.2 | Very high | 133 Ų | 133 | 118.5 Ų | 118.5 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.3 | -55.7 | 173.1 | 177 | -90.5 | 0 | 0 | 0 | 111.1 | Q89 K93 R94 Y95 | Q89-F91 VanDerWaalsContact C-N 3.29Å; Q89-F91 PolarHBondContact O-N 3.46Å; F91-K93 PolarHBondContact O-N 3.4Å; F91-R94 WeakPolarHBondContact O-CB 3.33Å; F91-R94 PolarHBondContact O-N 2.8Å; F91-R94 VanDerWaalsContact O-N 3.1Å; F91-Y95 HydrophobicContact CD1-CD2 4.18Å; F91-Y95 HydrophobicContact CD2-CD2 4.05Å; F91-Y95 AromaticContact CD2-CE2 3.62Å; F91-Y95 HydrophobicContact CD2-CE2 3.62Å; F91-Y95 AromaticContact CE1-CD2 3.89Å; F91-Y95 HydrophobicContact CE1-CD2 3.89Å; F91-Y95 HydrophobicContact CE1-CE2 4.21Å; F91-Y95 AromaticContact CE2-CD2 3.76Å; F91-Y95 HydrophobicContact CE2-CD2 3.76Å; F91-Y95 AromaticContact CE2-CE2 3.22Å; F91-Y95 HydrophobicContact CE2-CE2 3.22Å; F91-Y95 HydrophobicContact CG-CD2 4.25Å; F91-Y95 HydrophobicContact CG-CE2 4.28Å; F91-Y95 AromaticContact CZ-CD2 3.66Å; F91-Y95 HydrophobicContact CZ-CD2 3.66Å; F91-Y95 AromaticContact CZ-CE2 3.54Å; F91-Y95 HydrophobicContact CZ-CE2 3.54Å; F91-Y95 VanDerWaalsContact O-CD2 3.29Å; F91-Y95 WeakPolarHBondContact O-CD2 3.29Å; F91-Y95 PolarHBondContact O-N 3.27Å |
| 92 | S | 94 | Very high | 93.1 | Very high | 55 Ų | 55 | 123.2 Ų | 123.2 | 39% | 0.385 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.5 | -42.9 | -177 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | Q89 R94 Y95 M96 | Q89-S92 PolarHBondContact O-N 3.19Å; S92-R94 VanDerWaalsContact C-N 3.25Å; S92-R94 PolarHBondContact O-N 3.25Å; S92-Y95 PolarHBondContact O-N 3.29Å; S92-M96 VanDerWaalsContact O-CB 3.27Å; S92-M96 WeakPolarHBondContact O-CB 3.35Å; S92-M96 WeakPolarHBondContact O-CG 3.44Å; S92-M96 PolarHBondContact O-N 3.1Å |
| 93 | K | 95 | Very high | 92.9 | Very high | 102 Ų | 102 | 125 Ų | 125 | 44% | 0.443 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -58.3 | -36.2 | 175.3 | -73.9 | 176.6 | -174.5 | 171.4 | 0 | 112.7 | Q89 E90 F91 | Q89-K93 HydrophobicContact CB-CG 4.43Å; Q89-K93 WeakPolarHBondContact O-CB 3.43Å; Q89-K93 WeakPolarHBondContact O-CG 3.15Å; Q89-K93 PolarHBondContact O-N 3.11Å; E90-K93 IonicContact OE1-NZ 3.14Å; E90-K93 PolarHBondContact OE1-NZ 3.47Å; E90-K93 VanDerWaalsContact OE1-NZ 3.14Å; F91-K93 PolarHBondContact O-N 3.4Å |
| 94 | R | 94.5 | Very high | 92.6 | Very high | 150 Ų | 150 | 130.1 Ų | 130.1 | 57% | 0.566 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.5 | -47.7 | 177.6 | -171.9 | -178.4 | -60.5 | 115.6 | 3.5 | 111.6 | E90 F91 S92 | E90-R94 WeakPolarHBondContact O-CB 3.27Å; E90-R94 PolarHBondContact O-N 2.85Å; E90-R94 VanDerWaalsContact O-N 3.11Å; F91-R94 WeakPolarHBondContact O-CB 3.33Å; F91-R94 PolarHBondContact O-N 2.8Å; F91-R94 VanDerWaalsContact O-N 3.1Å; S92-R94 VanDerWaalsContact C-N 3.25Å; S92-R94 PolarHBondContact O-N 3.25Å |
| 95 | Y | 91.9 | Very high | 92.4 | Very high | 140 Ų | 140 | 129.5 Ų | 129.5 | 55% | 0.549 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -85.3 | -25.4 | -176.5 | -67.1 | -77.6 | 0 | 0 | 0 | 113.9 | F91 S92 K97 A98 | F91-Y95 HydrophobicContact CD1-CD2 4.18Å; F91-Y95 HydrophobicContact CD2-CD2 4.05Å; F91-Y95 AromaticContact CD2-CE2 3.62Å; F91-Y95 HydrophobicContact CD2-CE2 3.62Å; F91-Y95 AromaticContact CE1-CD2 3.89Å; F91-Y95 HydrophobicContact CE1-CD2 3.89Å; F91-Y95 HydrophobicContact CE1-CE2 4.21Å; F91-Y95 AromaticContact CE2-CD2 3.76Å; F91-Y95 HydrophobicContact CE2-CD2 3.76Å; F91-Y95 AromaticContact CE2-CE2 3.22Å; F91-Y95 HydrophobicContact CE2-CE2 3.22Å; F91-Y95 HydrophobicContact CG-CD2 4.25Å; F91-Y95 HydrophobicContact CG-CE2 4.28Å; F91-Y95 AromaticContact CZ-CD2 3.66Å; F91-Y95 HydrophobicContact CZ-CD2 3.66Å; F91-Y95 AromaticContact CZ-CE2 3.54Å; F91-Y95 HydrophobicContact CZ-CE2 3.54Å; F91-Y95 VanDerWaalsContact O-CD2 3.29Å; F91-Y95 WeakPolarHBondContact O-CD2 3.29Å; F91-Y95 PolarHBondContact O-N 3.27Å; S92-Y95 PolarHBondContact O-N 3.29Å; Y95-K97 PolarHBondContact O-N 3.44Å; Y95-A98 WeakPolarHBondContact O-CB 3.47Å; Y95-A98 PolarHBondContact O-N 3.17Å; Y95-A98 VanDerWaalsContact O-N 3.08Å |
| 96 | M | 91.1 | Very high | 92.2 | Very high | 127 Ų | 127 | 128 Ų | 128 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -56.8 | -30.8 | 173.6 | -82.3 | -177.3 | -131 | 0 | 0 | 112.3 | S92 A98 G99 | S92-M96 VanDerWaalsContact O-CB 3.27Å; S92-M96 WeakPolarHBondContact O-CB 3.35Å; S92-M96 WeakPolarHBondContact O-CG 3.44Å; S92-M96 PolarHBondContact O-N 3.1Å; M96-A98 PolarHBondContact O-N 3.18Å; M96-G99 PolarHBondContact O-N 3.08Å |
| 97 | K | 91.7 | Very high | 92 | Very high | 189 Ų | 189 | 130.6 Ų | 130.6 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -24.7 | 178.2 | -69.5 | 179.7 | -178 | -174 | 0 | 113.8 | Y95 G99 | Y95-K97 PolarHBondContact O-N 3.44Å; K97-G99 PolarHBondContact O-N 3.24Å |
| 98 | A | 89.6 | Confident | 91.7 | Very high | 89 Ų | 89 | 127.5 Ų | 127.5 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -11 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y95 M96 | Y95-A98 WeakPolarHBondContact O-CB 3.47Å; Y95-A98 PolarHBondContact O-N 3.17Å; Y95-A98 VanDerWaalsContact O-N 3.08Å; M96-A98 PolarHBondContact O-N 3.18Å |
| 99 | G | 89.4 | Confident | 91.6 | Very high | 49 Ų | 49 | 126.4 Ų | 126.4 | 51% | 0.505 | 65% | 0.646 | S | S | . | * | trans | 72.3 | -156.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | M96 K97 | M96-G99 PolarHBondContact O-N 3.08Å; K97-G99 PolarHBondContact O-N 3.24Å | ||
| 100 | N | 90.7 | Very high | 91.1 | Very high | 156 Ų | 156 | 126.3 Ų | 126.3 | 83% | 0.834 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -78 | 136.9 | -174.9 | -64.7 | 7.7 | 0 | 0 | 0 | 110.7 | ||
| 101 | Y | 91.3 | Very high | 90.7 | Very high | 192 Ų | 192 | 128.7 Ų | 128.7 | 75% | 0.753 | 67% | 0.669 | S | S | * | * | trans | -59.2 | 137.5 | 174.3 | 171.1 | -102.3 | 0 | 0 | 0 | 111.6 | N103 | Y101-N103 HydrophobicContact CE1-CB 4.22Š| ||
| 102 | R | 91.7 | Very high | 90.1 | Very high | 185 Ų | 185 | 129.3 Ų | 129.3 | 70% | 0.698 | 67% | 0.673 | S | S | * | * | trans | -134.2 | 131.9 | 172.6 | -59.1 | -65.1 | -71 | 178.7 | -3.7 | 109 | H104 | R102-H104 WeakPolarHBondContact CB-NE2 3.37Š| ||
| 103 | N | 90.6 | Very high | 89.6 | Confident | 94 Ų | 94 | 135.9 Ų | 135.9 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | trans | -87.8 | 123.1 | 172.2 | -172.2 | 7.3 | 0 | 0 | 0 | 109.8 | Y101 S105 | Y101-N103 HydrophobicContact CE1-CB 4.22Å; N103-S105 WeakPolarHBondContact OD1-CB 3.49Å; N103-S105 PolarHBondContact OD1-N 2.94Å; N103-S105 PolarHBondContact OD1-OG 3.41Å | ||
| 104 | H | 89.9 | Confident | 88.7 | Confident | 165 Ų | 165 | 142.3 Ų | 142.3 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | trans | -121.6 | 12.4 | 175.1 | -61.7 | -68 | 0 | 0 | 0 | 112.5 | R102 | R102-H104 WeakPolarHBondContact CB-NE2 3.37Š| ||
| 105 | S | 91.8 | Very high | 87.5 | Confident | 80 Ų | 80 | 144 Ų | 144 | 56% | 0.559 | 75% | 0.753 | S | S | * | * | trans | -80.1 | 155.7 | 178.7 | 73.9 | 0 | 0 | 0 | 0 | 112 | N103 | N103-S105 WeakPolarHBondContact OD1-CB 3.49Å; N103-S105 PolarHBondContact OD1-N 2.94Å; N103-S105 PolarHBondContact OD1-OG 3.41Å | ||
| 106 | L | 90.8 | Very high | 87.3 | Confident | 151 Ų | 151 | 144.2 Ų | 144.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -83.6 | 154 | 167.7 | -64.2 | 171 | 0 | 0 | 0 | 110.3 | T108 | L106-T108 PolarHBondContact O-N 2.95Š| ||
| 107 | N | 87.1 | Confident | 87.1 | Confident | 164 Ų | 164 | 145.1 Ų | 145.1 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -76.6 | 115.9 | 170.3 | -67.4 | -27.6 | 0 | 0 | 0 | 108.9 | ||||
| 108 | T | 88.4 | Confident | 86.9 | Confident | 125 Ų | 125 | 142.7 Ų | 142.7 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | -117.8 | 8 | -178.1 | 61 | 0 | 0 | 0 | 0 | 113.3 | L106 T110 | L106-T108 PolarHBondContact O-N 2.95Å; T108-T110 PolarHBondContact O-N 3.3Å | ||
| 109 | A | 89 | Confident | 86.7 | Confident | 100 Ų | 100 | 145.8 Ų | 145.8 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 125.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 110 | T | 85.6 | Confident | 86.6 | Confident | 106 Ų | 106 | 151.9 Ų | 151.9 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 136.8 | 166.9 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | T108 H112 | T108-T110 PolarHBondContact O-N 3.3Å; T110-H112 PolarHBondContact O-CD2 3.24Å; T110-H112 PolarHBondContact O-N 3.18Å |
| 111 | D | 85.9 | Confident | 86.3 | Confident | 151 Ų | 151 | 151.6 Ų | 151.6 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.4 | 176.1 | -171.8 | 30.4 | 0 | 0 | 0 | 110 | ||
| 112 | H | 82.5 | Confident | 85.9 | Confident | 145 Ų | 145 | 148.7 Ų | 148.7 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -93 | 113.4 | 176 | -70.7 | -177.5 | 0 | 0 | 0 | 107.8 | T110 Y114 | T110-H112 PolarHBondContact O-CD2 3.24Å; T110-H112 PolarHBondContact O-N 3.18Å; H112-Y114 PolarHBondContact O-N 3.15Å | ||
| 113 | K | 82.4 | Confident | 85.5 | Confident | 193 Ų | 193 | 145.9 Ų | 145.9 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -67.2 | 121.9 | 168.4 | -66.1 | -172 | 179 | -176.2 | 0 | 108.3 | S115 | K113-S115 PolarHBondContact O-N 3.29Å; K113-S115 VanDerWaalsContact O-N 3.15Å | ||
| 114 | Y | 77.5 | Confident | 85.1 | Confident | 237 Ų | 237 | 150.3 Ų | 150.3 | 93% | 0.929 | 82% | 0.815 | S | S | * | * | trans | -62.9 | 113.1 | 164.5 | -62.8 | -84.3 | 0 | 0 | 0 | 107.3 | H112 | H112-Y114 PolarHBondContact O-N 3.15Š| ||
| 115 | S | 69.7 | Low | 84.6 | Confident | 186 Ų | 186 | 148.9 Ų | 148.9 | 100% | 1.301 | 82% | 0.82 | S | S | * | * | trans | -86.2 | 0 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | K113 | K113-S115 PolarHBondContact O-N 3.29Å; K113-S115 VanDerWaalsContact O-N 3.15Å |
Retrieved 115 of 115 residues in 34.4 ms
(Link to these results)