| 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 | 43 | Very low | 66.9 | Low | 202 Ų | 202 | 133.5 Ų | 133.5 | 100% | 0.995 | 67% | 0.671 | S | S | * | * | 0 | 114 | 0 | -75.3 | -75.2 | -177.6 | 0 | 0 | 106.6 | D3 | M1-D3 PolarHBondContact O-N 3.47Š| |||
| 2 | A | 40.8 | Very low | 68.9 | Low | 92 Ų | 92 | 126.6 Ų | 126.6 | 76% | 0.76 | 64% | 0.636 | S | S | * | * | trans | -72.1 | 110.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | L4 | A2-L4 PolarHBondContact O-N 3.1Š| ||
| 3 | D | 55 | Low | 70.6 | Confident | 136 Ų | 136 | 123.6 Ų | 123.6 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | trans | -67.5 | 99.1 | 173.2 | -70.4 | -33.9 | 0 | 0 | 0 | 108.4 | M1 R5 | M1-D3 PolarHBondContact O-N 3.47Å; D3-R5 WeakPolarHBondContact O-CG 3.47Å; D3-R5 PolarHBondContact O-N 3.41Å | ||
| 4 | L | 63.4 | Low | 72.1 | Confident | 83 Ų | 83 | 123.3 Ų | 123.3 | 44% | 0.435 | 62% | 0.62 | S | S | . | * | trans | -64.8 | 111.2 | 174.2 | -67.1 | 168.6 | 0 | 0 | 0 | 108.3 | A2 F73 S116 P118 | A2-L4 PolarHBondContact O-N 3.1Å; L4-F73 WeakPolarHBondContact O-CZ 3.38Å; L4-S116 WeakPolarHBondContact CD1-O 3.5Å; L4-P118 HydrophobicContact CB-CB 3.8Å; L4-P118 HydrophobicContact CB-CG 3.66Å; L4-P118 HydrophobicContact CD1-CB 4.27Å; L4-P118 HydrophobicContact CD1-CG 4.13Å | ||
| 5 | R | 65.3 | Low | 73.5 | Confident | 220 Ų | 220 | 122.9 Ų | 122.9 | 83% | 0.83 | 61% | 0.613 | S | S | * | * | trans | -87.8 | 134.4 | -179.5 | -61.4 | -179 | -173.8 | 178.4 | 1.2 | 109.1 | D3 | D3-R5 WeakPolarHBondContact O-CG 3.47Å; D3-R5 PolarHBondContact O-N 3.41Å | ||
| 6 | P | 71 | Confident | 74.7 | Confident | 29 Ų | 29 | 119.6 Ų | 119.6 | 19% | 0.188 | 59% | 0.591 | C | S | . | * | trans | -63.2 | 139.6 | 173.3 | 25.8 | -32.3 | 0 | 0 | 0 | 109.9 | M8 K9 F73 | P6-M8 PolarHBondContact O-N 3.37Å; P6-K9 HydrophobicContact CG-CB 4.19Å; P6-K9 HydrophobicContact CG-CD 4.46Å; P6-K9 HydrophobicContact CG-CG 4.46Å; P6-F73 HydrophobicContact CB-CD1 4.14Å; P6-F73 HydrophobicContact CB-CE1 3.63Å; P6-F73 HydrophobicContact CB-CE2 4.41Å; P6-F73 HydrophobicContact CB-CZ 3.78Å; P6-F73 HydrophobicContact CG-CE1 4.46Å; P6-F73 HydrophobicContact CG-CE2 4.39Å; P6-F73 HydrophobicContact CG-CZ 4.17Å | ||
| 7 | L | 70.1 | Confident | 75.7 | Confident | 177 Ų | 177 | 120.1 Ų | 120.1 | 93% | 0.927 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -56.8 | -36.2 | 178.9 | -177.5 | 64.3 | 0 | 0 | 0 | 112.3 | ||
| 8 | M | 74.9 | Confident | 76.7 | Confident | 159 Ų | 159 | 122.8 Ų | 122.8 | 78% | 0.783 | 61% | 0.61 | S | S | * | * | trans | -132.1 | 124.2 | 173.3 | -61.2 | -167.5 | 86 | 0 | 0 | 110.5 | P6 P10 | P6-M8 PolarHBondContact O-N 3.37Å; M8-P10 WeakPolarHBondContact O-CD 3.05Å | ||
| 9 | K | 80.3 | Confident | 77.6 | Confident | 130 Ų | 130 | 125.9 Ų | 125.9 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | trans | -116 | 92.2 | 175.2 | -166.6 | 173.6 | -177.1 | 172.2 | 0 | 110.4 | P6 P70 | P6-K9 HydrophobicContact CG-CB 4.19Å; P6-K9 HydrophobicContact CG-CD 4.46Å; P6-K9 HydrophobicContact CG-CG 4.46Å; K9-P70 WeakPolarHBondContact CE-O 3.31Å; K9-P70 PolarHBondContact NZ-O 2.98Å | ||
| 10 | P | 84.5 | Confident | 78.4 | Confident | 55 Ų | 55 | 122 Ų | 122 | 36% | 0.357 | 60% | 0.599 | S | S | . | * | trans | -63.4 | 140.7 | 176.7 | 26.3 | -32.9 | 0 | 0 | 0 | 110.6 | M8 I12 T65 M68 | M8-P10 WeakPolarHBondContact O-CD 3.05Å; P10-I12 PolarHBondContact O-N 3.06Å; P10-T65 HydrophobicContact CB-CG2 4.35Å; P10-T65 HydrophobicContact CG-CG2 4.36Å; P10-M68 HydrophobicContact CG-CE 3.89Å; P10-M68 HydrophobicContact CG-SD 3.76Å | ||
| 11 | K | 87.9 | Confident | 79.2 | Confident | 186 Ų | 186 | 118.9 Ų | 118.9 | 81% | 0.809 | 58% | 0.584 | S | S | * | * | trans | -61.6 | 119.3 | 176.5 | -174.9 | 176 | -178.1 | 175 | 0 | 110 | V13 | K11-V13 HydrophobicContact CG-CG2 4.35Å; K11-V13 PolarHBondContact O-N 3.19Å | ||
| 12 | I | 90.6 | Very high | 81.6 | Confident | 50 Ų | 50 | 113.1 Ų | 113.1 | 26% | 0.256 | 55% | 0.552 | S | S | . | * | trans | -80.7 | 103.4 | 179.2 | -56.7 | 174 | 0 | 0 | 0 | 108.7 | P10 K14 T65 M68 P69 | P10-I12 PolarHBondContact O-N 3.06Å; I12-K14 HydrophobicContact CG2-CD 4.11Å; I12-K14 HydrophobicContact CG2-CG 4.39Å; I12-T65 HydrophobicContact CG1-CG2 4.5Å; I12-M68 HydrophobicContact CD1-CG 4.17Å; I12-M68 HydrophobicContact CD1-SD 4.35Å; I12-M68 HydrophobicContact CG1-SD 4.4Å; I12-P69 WeakPolarHBondContact CD1-O 3.49Å | ||
| 13 | V | 90.8 | Very high | 84.1 | Confident | 88 Ų | 88 | 110.3 Ų | 110.3 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | trans | -97.2 | 117.4 | 172.2 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | K11 N62 | K11-V13 HydrophobicContact CG-CG2 4.35Å; K11-V13 PolarHBondContact O-N 3.19Å; V13-N62 PolarHBondContact O-ND2 3.22Å | ||
| 14 | K | 91.3 | Very high | 85.9 | Confident | 119 Ų | 119 | 107 Ų | 107 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | trans | -96.1 | 115.3 | 172.5 | -60.6 | -60.9 | -173.8 | -176.5 | 0 | 108.9 | I12 R16 | I12-K14 HydrophobicContact CG2-CD 4.11Å; I12-K14 HydrophobicContact CG2-CG 4.39Å; K14-R16 PolarHBondContact O-N 2.97Å | ||
| 15 | K | 92.8 | Very high | 87.3 | Confident | 118 Ų | 118 | 103.6 Ų | 103.6 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -64.6 | -30.3 | 177.5 | -67 | 176.8 | 176.2 | 173.8 | 0 | 112.6 | G59 G61 N62 | K15-G59 VanDerWaalsContact CD-O 3.27Å; K15-G59 WeakPolarHBondContact CD-O 3.13Å; K15-G59 PolarHBondContact NZ-O 2.79Å; K15-G61 PolarHBondContact NZ-O 2.87Å; K15-N62 VanDerWaalsContact CE-OD1 3.3Å; K15-N62 WeakPolarHBondContact CE-OD1 3.12Å |
| 16 | R | 93.1 | Very high | 88.5 | Confident | 69 Ų | 69 | 98.9 Ų | 98.9 | 26% | 0.26 | 48% | 0.477 | S | S | . | . | trans | -148.3 | 133.5 | 176.7 | -172.7 | -175.8 | 177.6 | 105.4 | -3.7 | 109.4 | K14 K18 F20 Y60 | K14-R16 PolarHBondContact O-N 2.97Å; R16-K18 PolarHBondContact NE-O 3.24Å; R16-F20 VanDerWaalsContact CD-CZ 3.42Å; R16-Y60 HydrophobicContact CB-CD1 4.03Å; R16-Y60 HydrophobicContact CB-CE1 4.42Å | ||
| 17 | T | 92.6 | Very high | 89.6 | Confident | 129 Ų | 129 | 105.5 Ų | 105.5 | 79% | 0.791 | 50% | 0.499 | S | S | * | . | trans | -103.2 | -31.9 | 176.3 | -47.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 18 | K | 92.9 | Very high | 90.5 | Very high | 168 Ų | 168 | 99.5 Ų | 99.5 | 73% | 0.73 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -66.3 | 132.2 | 178.2 | -65.7 | -172.3 | 178.4 | -175.6 | 0 | 111 | R16 | R16-K18 PolarHBondContact NE-O 3.24Š|
| 19 | K | 93.4 | Very high | 91.4 | Very high | 182 Ų | 182 | 99.2 Ų | 99.2 | 79% | 0.791 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 151.4 | 173.2 | -65.2 | -177.6 | -179.6 | 178.2 | 0 | 110.6 | ||
| 20 | F | 94.8 | Very high | 92.1 | Very high | 48 Ų | 48 | 102.8 Ų | 102.8 | 21% | 0.211 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 117.3 | 166.9 | -66.6 | -79.6 | 0 | 0 | 0 | 107.4 | R16 W35 L54 P56 Y60 | R16-F20 VanDerWaalsContact CD-CZ 3.42Å; F20-W35 HydrophobicContact CB-CB 3.99Å; F20-W35 HydrophobicContact CB-CD2 4.01Å; F20-W35 HydrophobicContact CB-CE3 3.8Å; F20-W35 HydrophobicContact CB-CG 4.08Å; F20-L54 VanDerWaalsContact CD1-O 3.26Å; F20-L54 WeakPolarHBondContact CD1-O 2.9Å; F20-L54 WeakPolarHBondContact CE1-O 3.12Å; F20-P56 HydrophobicContact CD1-CB 4.2Å; F20-P56 HydrophobicContact CD2-CB 4.09Å; F20-P56 HydrophobicContact CE1-CB 4.14Å; F20-P56 HydrophobicContact CE2-CB 4.02Å; F20-P56 HydrophobicContact CG-CB 4.18Å; F20-P56 HydrophobicContact CZ-CB 4.04Å; F20-Y60 HydrophobicContact CE1-CE2 4.24Å; F20-Y60 AromaticContact CZ-CD2 3.75Å; F20-Y60 HydrophobicContact CZ-CD2 3.75Å; F20-Y60 AromaticContact CZ-CE2 3.87Å; F20-Y60 HydrophobicContact CZ-CE2 3.87Å; F20-Y60 HydrophobicContact CZ-CG 4.18Å |
| 21 | I | 94.7 | Very high | 92.5 | Very high | 56 Ų | 56 | 102.1 Ų | 102.1 | 29% | 0.287 | 49% | 0.486 | S | S | . | . | trans | -106.8 | 152.5 | -178.1 | 62.1 | 171.9 | 0 | 0 | 0 | 110.2 | H23 C33 W35 I53 | I21-H23 PolarHBondContact O-N 2.84Å; I21-C33 WeakPolarHBondContact CA-O 3.34Å; I21-C33 HydrophobicContact CG2-CB 4.25Å; I21-W35 WeakPolarHBondContact O-CZ3 2.99Å; I21-I53 HydrophobicContact CD1-CD1 4.14Å; I21-I53 HydrophobicContact CG1-CD1 4.04Å; I21-I53 HydrophobicContact CG1-CG2 4.33Å | ||
| 22 | W | 93.9 | Very high | 92.7 | Very high | 82 Ų | 82 | 100.7 Ų | 100.7 | 31% | 0.311 | 48% | 0.48 | S | S | . | . | trans | -63.3 | 134.4 | 171.5 | -158.6 | -20.1 | 0 | 0 | 0 | 109.8 | Q24 S25 I31 N34 W36 | W22-Q24 PolarHBondContact O-N 3.19Å; W22-S25 WeakPolarHBondContact O-CB 3.12Å; W22-S25 PolarHBondContact O-N 3.49Å; W22-S25 VanDerWaalsContact O-N 3.12Å; W22-S25 PolarHBondContact O-OG 3.12Å; W22-S25 VanDerWaalsContact O-OG 3.04Å; W22-I31 HydrophobicContact CB-CG2 3.97Å; W22-I31 HydrophobicContact CD2-CG2 3.51Å; W22-I31 HydrophobicContact CE3-CG2 3.49Å; W22-I31 VanDerWaalsContact CE3-CG2 3.49Å; W22-I31 HydrophobicContact CG-CG2 3.77Å; W22-I31 HydrophobicContact CZ3-CG2 4.1Å; W22-N34 WeakPolarHBondContact CB-O 3.26Å; W22-W36 HydrophobicContact CD2-CB 3.8Å; W22-W36 AromaticContact CE2-CE3 3.91Å; W22-W36 HydrophobicContact CE3-CB 4.22Å; W22-W36 HydrophobicContact CG-CB 4.1Å; W22-W36 HydrophobicContact CZ2-CB 4.26Å; W22-W36 HydrophobicContact CZ2-CD2 4.03Å; W22-W36 AromaticContact CZ2-CE3 3.73Å; W22-W36 HydrophobicContact CZ2-CE3 3.73Å; W22-W36 HydrophobicContact CZ2-CG 4.28Å; W22-W36 HydrophobicContact CZ2-CZ3 4.4Å; W22-W36 AromaticContact NE1-CE3 3.82Å | ||
| 23 | H | 93.2 | Very high | 92.9 | Very high | 32 Ų | 32 | 101.9 Ų | 101.9 | 15% | 0.148 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46 | 125.7 | 165.1 | -176.8 | -115.3 | 0 | 0 | 0 | 111.9 | I21 S25 N43 V45 | I21-H23 PolarHBondContact O-N 2.84Å; H23-S25 VanDerWaalsContact C-N 3.35Å; H23-N43 PolarHBondContact ND1-ND2 3.26Å; H23-V45 HydrophobicContact CB-CG2 4.3Å; H23-V45 WeakPolarHBondContact CD2-CG2 3.22Å |
| 24 | Q | 91.9 | Very high | 93.1 | Very high | 66 Ų | 66 | 103.4 Ų | 103.4 | 31% | 0.308 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 7.9 | -179.2 | -43.2 | -178.4 | -11 | 0 | 0 | 116.7 | W22 D26 R27 C28 I31 | W22-Q24 PolarHBondContact O-N 3.19Å; Q24-D26 VanDerWaalsContact CA-OD1 3.29Å; Q24-D26 WeakPolarHBondContact CA-OD1 3.2Å; Q24-D26 PolarHBondContact O-N 3.48Å; Q24-R27 VanDerWaalsContact CG-NH2 3.3Å; Q24-R27 PolarHBondContact O-N 2.79Å; Q24-R27 VanDerWaalsContact O-N 3.07Å; Q24-C28 PolarHBondContact O-N 3.39Å; Q24-C28 VanDerWaalsContact O-N 3.07Å; Q24-I31 HydrophobicContact CB-CD1 4.34Å |
| 25 | S | 92.9 | Very high | 93.2 | Very high | 13 Ų | 13 | 101.1 Ų | 101.1 | 9% | 0.091 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.7 | 174.2 | 66.3 | 0 | 0 | 0 | 0 | 113.4 | W22 H23 | W22-S25 WeakPolarHBondContact O-CB 3.12Å; W22-S25 PolarHBondContact O-N 3.49Å; W22-S25 VanDerWaalsContact O-N 3.12Å; W22-S25 PolarHBondContact O-OG 3.12Å; W22-S25 VanDerWaalsContact O-OG 3.04Å; H23-S25 VanDerWaalsContact C-N 3.35Å |
| 26 | D | 91 | Very high | 93.2 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 64% | 0.642 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -29.1 | 173.8 | 58.4 | -53.4 | 0 | 0 | 0 | 113.1 | Q24 | Q24-D26 VanDerWaalsContact CA-OD1 3.29Å; Q24-D26 WeakPolarHBondContact CA-OD1 3.2Å; Q24-D26 PolarHBondContact O-N 3.48Å |
| 27 | R | 93 | Very high | 93.2 | Very high | 169 Ų | 169 | 104.3 Ų | 104.3 | 64% | 0.638 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -31.7 | -176.6 | -61.8 | -171.7 | -65.3 | 179.7 | 4.5 | 113.4 | Q24 | Q24-R27 VanDerWaalsContact CG-NH2 3.3Å; Q24-R27 PolarHBondContact O-N 2.79Å; Q24-R27 VanDerWaalsContact O-N 3.07Å |
| 28 | C | 90.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 98.4 Ų | 98.4 | 34% | 0.338 | 46% | 0.461 | S | S | . | . | trans | -116.3 | 111.6 | -174.1 | -63.6 | 0 | 0 | 0 | 0 | 111 | Q24 K30 I31 | Q24-C28 PolarHBondContact O-N 3.39Å; Q24-C28 VanDerWaalsContact O-N 3.07Å; C28-K30 PolarHBondContact O-N 3.43Å; C28-K30 VanDerWaalsContact O-N 3.14Å; C28-I31 HydrophobicContact CB-CB 4.26Å; C28-I31 HydrophobicContact CB-CD1 3.76Å; C28-I31 HydrophobicContact CB-CG1 3.79Å; C28-I31 PolarHBondContact O-N 3.22Å | ||
| 29 | V | 92.9 | Very high | 93.3 | Very high | 153 Ų | 153 | 94.8 Ų | 94.8 | 93% | 0.927 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.9 | 179.1 | -177.4 | 0 | 0 | 0 | 0 | 112.9 | I31 | V29-I31 PolarHBondContact O-N 3.18Š|
| 30 | K | 94.4 | Very high | 93.2 | Very high | 206 Ų | 206 | 89.7 Ų | 89.7 | 90% | 0.896 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -26.6 | 176.4 | -63 | -178.8 | -179 | 179.3 | 0 | 112.7 | C28 | C28-K30 PolarHBondContact O-N 3.43Å; C28-K30 VanDerWaalsContact O-N 3.14Å |
| 31 | I | 92.7 | Very high | 93.1 | Very high | 40 Ų | 40 | 93.2 Ų | 93.2 | 21% | 0.205 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -90 | 112.7 | -177.2 | -57.1 | -178.8 | 0 | 0 | 0 | 108.6 | W22 Q24 C28 V29 | W22-I31 HydrophobicContact CB-CG2 3.97Å; W22-I31 HydrophobicContact CD2-CG2 3.51Å; W22-I31 HydrophobicContact CE3-CG2 3.49Å; W22-I31 VanDerWaalsContact CE3-CG2 3.49Å; W22-I31 HydrophobicContact CG-CG2 3.77Å; W22-I31 HydrophobicContact CZ3-CG2 4.1Å; Q24-I31 HydrophobicContact CB-CD1 4.34Å; C28-I31 HydrophobicContact CB-CB 4.26Å; C28-I31 HydrophobicContact CB-CD1 3.76Å; C28-I31 HydrophobicContact CB-CG1 3.79Å; C28-I31 PolarHBondContact O-N 3.22Å; V29-I31 PolarHBondContact O-N 3.18Å |
| 32 | K | 93.8 | Very high | 93 | Very high | 156 Ų | 156 | 93.2 Ų | 93.2 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | trans | -69.1 | 149.7 | 177.3 | -62.6 | -179.2 | -178.6 | 178.3 | 0 | 110.8 | N34 | K32-N34 PolarHBondContact O-N 3.02Š| ||
| 33 | C | 93.8 | Very high | 92.9 | Very high | 75 Ų | 75 | 90.5 Ų | 90.5 | 51% | 0.507 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -71.3 | 13.1 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 114.8 | I21 | I21-C33 WeakPolarHBondContact CA-O 3.34Å; I21-C33 HydrophobicContact CG2-CB 4.25Å |
| 34 | N | 94.3 | Very high | 93 | Very high | 120 Ų | 120 | 96.4 Ų | 96.4 | 64% | 0.642 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -78.2 | 133.6 | 178.3 | -66.9 | 22.6 | 0 | 0 | 0 | 109.3 | W22 K32 W36 | W22-N34 WeakPolarHBondContact CB-O 3.26Å; K32-N34 PolarHBondContact O-N 3.02Å; N34-W36 PolarHBondContact O-N 3.13Å |
| 35 | W | 94.4 | Very high | 93 | Very high | 71 Ų | 71 | 93.3 Ų | 93.3 | 27% | 0.269 | 48% | 0.476 | S | S | . | . | trans | -58.7 | 130.2 | -179.2 | 176.9 | -102.8 | 0 | 0 | 0 | 112.2 | F20 I21 V45 I53 M55 P56 | F20-W35 HydrophobicContact CB-CB 3.99Å; F20-W35 HydrophobicContact CB-CD2 4.01Å; F20-W35 HydrophobicContact CB-CE3 3.8Å; F20-W35 HydrophobicContact CB-CG 4.08Å; I21-W35 WeakPolarHBondContact O-CZ3 2.99Å; W35-V45 HydrophobicContact CH2-CG1 4.29Å; W35-I53 HydrophobicContact CZ3-CG2 4.31Å; W35-M55 HydrophobicContact CH2-CB 4.1Å; W35-M55 HydrophobicContact CH2-CE 4.48Å; W35-M55 HydrophobicContact CH2-CG 4.03Å; W35-M55 HydrophobicContact CZ2-CB 4.08Å; W35-M55 HydrophobicContact CZ2-CE 4.31Å; W35-M55 HydrophobicContact CZ2-CG 4.27Å; W35-P56 HydrophobicContact CD2-CG 4.05Å; W35-P56 HydrophobicContact CG-CG 4.17Å; W35-P56 HydrophobicContact CZ2-CG 4.02Å | ||
| 36 | W | 93.4 | Very high | 93.1 | Very high | 141 Ų | 141 | 98 Ų | 98 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | trans | -134.2 | 139.5 | 169.6 | -163.3 | 73.4 | 0 | 0 | 0 | 109.7 | W22 N34 P38 | W22-W36 HydrophobicContact CD2-CB 3.8Å; W22-W36 AromaticContact CE2-CE3 3.91Å; W22-W36 HydrophobicContact CE3-CB 4.22Å; W22-W36 HydrophobicContact CG-CB 4.1Å; W22-W36 HydrophobicContact CZ2-CB 4.26Å; W22-W36 HydrophobicContact CZ2-CD2 4.03Å; W22-W36 AromaticContact CZ2-CE3 3.73Å; W22-W36 HydrophobicContact CZ2-CE3 3.73Å; W22-W36 HydrophobicContact CZ2-CG 4.28Å; W22-W36 HydrophobicContact CZ2-CZ3 4.4Å; W22-W36 AromaticContact NE1-CE3 3.82Å; N34-W36 PolarHBondContact O-N 3.13Å; W36-P38 VanDerWaalsContact O-CD 3.24Å; W36-P38 WeakPolarHBondContact O-CD 3.41Å | ||
| 37 | K | 93.1 | Very high | 93.2 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 50% | 0.496 | 49% | 0.485 | S | S | . | . | trans | -76 | 114.4 | -179.3 | -175.6 | 81.1 | -178.7 | -179 | 0 | 108.5 | M55 | K37-M55 HydrophobicContact CD-CE 3.51Å; K37-M55 HydrophobicContact CG-CE 4.47Å; K37-M55 PolarHBondContact NZ-SD 2.72Å | ||
| 38 | P | 93.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 95.5 Ų | 95.5 | 3% | 0.032 | 48% | 0.484 | C | S | . | . | trans | -65.2 | 141.5 | 174.9 | 26.7 | -33.2 | 0 | 0 | 0 | 110.2 | W36 N43 V45 W46 M55 | W36-P38 VanDerWaalsContact O-CD 3.24Å; W36-P38 WeakPolarHBondContact O-CD 3.41Å; P38-N43 HydrophobicContact CB-CB 4.35Å; P38-N43 VanDerWaalsContact CB-ND2 3.33Å; P38-N43 WeakPolarHBondContact CB-ND2 3.06Å; P38-V45 HydrophobicContact CG-CB 4.08Å; P38-V45 HydrophobicContact CG-CG1 3.9Å; P38-W46 HydrophobicContact CB-CB 4.37Å; P38-W46 HydrophobicContact CG-CB 4.18Å; P38-M55 HydrophobicContact CG-CE 3.77Å | ||
| 39 | S | 92.7 | Very high | 93.3 | Very high | 92 Ų | 92 | 98.2 Ų | 98.2 | 64% | 0.643 | 49% | 0.491 | S | S | * | . | trans | -115.2 | -20.5 | -177.3 | -166.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 40 | S | 92.1 | Very high | 93.3 | Very high | 74 Ų | 74 | 101 Ų | 101 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | trans | -66.4 | 135.5 | -174.5 | 172 | 0 | 0 | 0 | 0 | 112.9 | G42 N43 | S40-G42 PolarHBondContact O-N 3.16Å; S40-G42 PolarHBondContact OG-N 3.43Å; S40-N43 WeakPolarHBondContact O-CB 3.48Å; S40-N43 PolarHBondContact O-N 3.08Å | ||
| 41 | I | 91.7 | Very high | 93.2 | Very high | 122 Ų | 122 | 95.1 Ų | 95.1 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -31 | 178.8 | -162.5 | 159.4 | 0 | 0 | 0 | 112.7 | N43 W46 R47 | I41-N43 VanDerWaalsContact C-N 3.27Å; I41-N43 PolarHBondContact O-N 3.31Å; I41-W46 HydrophobicContact CG1-CZ3 4.12Å; I41-R47 PolarHBondContact O-NE 3.25Å; I41-R47 PolarHBondContact O-NH2 2.87Å |
| 42 | G | 93.4 | Very high | 93.2 | Very high | 56 Ų | 56 | 96.3 Ų | 96.3 | 58% | 0.577 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -6.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S40 R44 | S40-G42 PolarHBondContact O-N 3.16Å; S40-G42 PolarHBondContact OG-N 3.43Å; G42-R44 PolarHBondContact O-N 3.46Å |
| 43 | N | 92.9 | Very high | 93.1 | Very high | 26 Ų | 26 | 91 Ų | 91 | 14% | 0.139 | 47% | 0.472 | C | S | . | . | trans | -77.5 | 124.3 | -173.2 | -169.4 | -50.7 | 0 | 0 | 0 | 111.7 | H23 P38 S40 I41 V45 W46 R47 | H23-N43 PolarHBondContact ND1-ND2 3.26Å; P38-N43 HydrophobicContact CB-CB 4.35Å; P38-N43 VanDerWaalsContact CB-ND2 3.33Å; P38-N43 WeakPolarHBondContact CB-ND2 3.06Å; S40-N43 WeakPolarHBondContact O-CB 3.48Å; S40-N43 PolarHBondContact O-N 3.08Å; I41-N43 VanDerWaalsContact C-N 3.27Å; I41-N43 PolarHBondContact O-N 3.31Å; N43-V45 PolarHBondContact O-N 3.42Å; N43-V45 WeakPolarHBondContact OD1-CA 3.43Å; N43-V45 WeakPolarHBondContact OD1-CB 3.36Å; N43-V45 PolarHBondContact OD1-N 3.42Å; N43-W46 HydrophobicContact CB-CB 4Å; N43-W46 PolarHBondContact O-N 3.01Å; N43-W46 PolarHBondContact OD1-N 2.75Å; N43-R47 PolarHBondContact O-N 2.88Å | ||
| 44 | R | 93.3 | Very high | 93 | Very high | 155 Ų | 155 | 91.5 Ų | 91.5 | 59% | 0.585 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -34.9 | -179.3 | -69.9 | -177.3 | 154.4 | -153.9 | -6 | 113.9 | G42 T48 F49 Q52 | G42-R44 PolarHBondContact O-N 3.46Å; R44-T48 PolarHBondContact O-N 3.23Å; R44-F49 HydrophobicContact CB-CD2 3.85Å; R44-F49 HydrophobicContact CG-CD2 3.99Å; R44-F49 HydrophobicContact CG-CE2 4.31Å; R44-F49 WeakPolarHBondContact O-CD2 3.31Å; R44-F49 PolarHBondContact O-N 3.36Å; R44-Q52 HydrophobicContact CB-CG 4.1Å |
| 45 | V | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 86.9 Ų | 86.9 | 1% | 0.006 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -36.9 | 177 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | H23 W35 P38 N43 R47 T48 Q52 I53 M55 | H23-V45 HydrophobicContact CB-CG2 4.3Å; H23-V45 WeakPolarHBondContact CD2-CG2 3.22Å; W35-V45 HydrophobicContact CH2-CG1 4.29Å; P38-V45 HydrophobicContact CG-CB 4.08Å; P38-V45 HydrophobicContact CG-CG1 3.9Å; N43-V45 PolarHBondContact O-N 3.42Å; N43-V45 WeakPolarHBondContact OD1-CA 3.43Å; N43-V45 WeakPolarHBondContact OD1-CB 3.36Å; N43-V45 PolarHBondContact OD1-N 3.42Å; V45-R47 VanDerWaalsContact C-N 3.34Å; V45-R47 PolarHBondContact O-N 3.18Å; V45-T48 PolarHBondContact O-N 3.13Å; V45-T48 VanDerWaalsContact O-N 3.16Å; V45-Q52 HydrophobicContact CG2-CB 4.07Å; V45-I53 WeakPolarHBondContact CG1-O 3.43Å; V45-I53 HydrophobicContact CG2-CB 4.42Å; V45-M55 HydrophobicContact CG1-CE 4.24Å; V45-M55 HydrophobicContact CG1-CG 4.02Å |
| 46 | W | 93.7 | Very high | 93.1 | Very high | 113 Ų | 113 | 86.1 Ų | 86.1 | 43% | 0.428 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -42.6 | 175.4 | 178.9 | 75.8 | 0 | 0 | 0 | 111.6 | P38 I41 N43 T48 | P38-W46 HydrophobicContact CB-CB 4.37Å; P38-W46 HydrophobicContact CG-CB 4.18Å; I41-W46 HydrophobicContact CG1-CZ3 4.12Å; N43-W46 HydrophobicContact CB-CB 4Å; N43-W46 PolarHBondContact O-N 3.01Å; N43-W46 PolarHBondContact OD1-N 2.75Å; W46-T48 PolarHBondContact O-N 3.2Å |
| 47 | R | 93.9 | Very high | 93.1 | Very high | 134 Ų | 134 | 83.9 Ų | 83.9 | 51% | 0.506 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -1 | 176 | -60 | -166.6 | -169.6 | -170.6 | 1.6 | 114.8 | I41 N43 V45 F49 | I41-R47 PolarHBondContact O-NE 3.25Å; I41-R47 PolarHBondContact O-NH2 2.87Å; N43-R47 PolarHBondContact O-N 2.88Å; V45-R47 VanDerWaalsContact C-N 3.34Å; V45-R47 PolarHBondContact O-N 3.18Å; R47-F49 HydrophobicContact CB-CD2 3.83Å; R47-F49 HydrophobicContact CB-CE2 3.65Å; R47-F49 HydrophobicContact CB-CZ 4.47Å; R47-F49 HydrophobicContact CG-CE2 4.24Å; R47-F49 PolarHBondContact O-N 3.34Å |
| 48 | T | 92.4 | Very high | 93.1 | Very high | 101 Ų | 101 | 85.1 Ų | 85.1 | 62% | 0.62 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 41.6 | 178.5 | -44.9 | 0 | 0 | 0 | 0 | 113.5 | R44 V45 W46 | R44-T48 PolarHBondContact O-N 3.23Å; V45-T48 PolarHBondContact O-N 3.13Å; V45-T48 VanDerWaalsContact O-N 3.16Å; W46-T48 PolarHBondContact O-N 3.2Å |
| 49 | F | 93.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 87.2 Ų | 87.2 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | trans | -63.9 | 144.8 | 172.8 | -75.2 | -79.6 | 0 | 0 | 0 | 111.8 | R44 R47 Q52 | R44-F49 HydrophobicContact CB-CD2 3.85Å; R44-F49 HydrophobicContact CG-CD2 3.99Å; R44-F49 HydrophobicContact CG-CE2 4.31Å; R44-F49 WeakPolarHBondContact O-CD2 3.31Å; R44-F49 PolarHBondContact O-N 3.36Å; R47-F49 HydrophobicContact CB-CD2 3.83Å; R47-F49 HydrophobicContact CB-CE2 3.65Å; R47-F49 HydrophobicContact CB-CZ 4.47Å; R47-F49 HydrophobicContact CG-CE2 4.24Å; R47-F49 PolarHBondContact O-N 3.34Å; F49-Q52 HydrophobicContact CB-CG 4.37Å; F49-Q52 PolarHBondContact O-N 3.38Å | ||
| 50 | K | 93.1 | Very high | 93.2 | Very high | 210 Ų | 210 | 86 Ų | 86 | 91% | 0.913 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 148.4 | 174.7 | -65.5 | -175.9 | 179.4 | 179.5 | 0 | 111 | Q52 | K50-Q52 PolarHBondContact O-N 3.45Š|
| 51 | G | 91.8 | Very high | 93.1 | Very high | 84 Ų | 84 | 84.6 Ų | 84.6 | 87% | 0.866 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -3.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 52 | Q | 92.6 | Very high | 93.1 | Very high | 65 Ų | 65 | 80.9 Ų | 80.9 | 30% | 0.304 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -93.6 | 171.8 | 175.7 | -64.7 | -60.9 | -31.1 | 0 | 0 | 112.6 | R44 V45 F49 K50 L54 | R44-Q52 HydrophobicContact CB-CG 4.1Å; V45-Q52 HydrophobicContact CG2-CB 4.07Å; F49-Q52 HydrophobicContact CB-CG 4.37Å; F49-Q52 PolarHBondContact O-N 3.38Å; K50-Q52 PolarHBondContact O-N 3.45Å; Q52-L54 PolarHBondContact O-N 2.96Å |
| 53 | I | 92.3 | Very high | 92.8 | Very high | 44 Ų | 44 | 87.8 Ų | 87.8 | 23% | 0.226 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 123.7 | 176.3 | -58.9 | 161.4 | 0 | 0 | 0 | 109.2 | I21 W35 V45 | I21-I53 HydrophobicContact CD1-CD1 4.14Å; I21-I53 HydrophobicContact CG1-CD1 4.04Å; I21-I53 HydrophobicContact CG1-CG2 4.33Å; W35-I53 HydrophobicContact CZ3-CG2 4.31Å; V45-I53 WeakPolarHBondContact CG1-O 3.43Å; V45-I53 HydrophobicContact CG2-CB 4.42Å |
| 54 | L | 92.4 | Very high | 92.5 | Very high | 86 Ų | 86 | 95.3 Ų | 95.3 | 45% | 0.45 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -69 | 139.4 | 178 | -64.3 | 171.9 | 0 | 0 | 0 | 111.2 | F20 Q52 | F20-L54 VanDerWaalsContact CD1-O 3.26Å; F20-L54 WeakPolarHBondContact CD1-O 2.9Å; F20-L54 WeakPolarHBondContact CE1-O 3.12Å; Q52-L54 PolarHBondContact O-N 2.96Å |
| 55 | M | 94 | Very high | 92.3 | Very high | 23 Ų | 23 | 88.5 Ų | 88.5 | 11% | 0.113 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 150 | 174.6 | -50.7 | -175.3 | 109 | 0 | 0 | 111.3 | W35 K37 P38 V45 Y60 | W35-M55 HydrophobicContact CH2-CB 4.1Å; W35-M55 HydrophobicContact CH2-CE 4.48Å; W35-M55 HydrophobicContact CH2-CG 4.03Å; W35-M55 HydrophobicContact CZ2-CB 4.08Å; W35-M55 HydrophobicContact CZ2-CE 4.31Å; W35-M55 HydrophobicContact CZ2-CG 4.27Å; K37-M55 HydrophobicContact CD-CE 3.51Å; K37-M55 HydrophobicContact CG-CE 4.47Å; K37-M55 PolarHBondContact NZ-SD 2.72Å; P38-M55 HydrophobicContact CG-CE 3.77Å; V45-M55 HydrophobicContact CG1-CE 4.24Å; V45-M55 HydrophobicContact CG1-CG 4.02Å; M55-Y60 WeakPolarHBondContact O-CE2 3.45Å |
| 56 | P | 95.3 | Very high | 92.1 | Very high | 54 Ų | 54 | 94.3 Ų | 94.3 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 138.2 | 170.8 | 29 | -30.9 | 0 | 0 | 0 | 110 | F20 W35 | F20-P56 HydrophobicContact CD1-CB 4.2Å; F20-P56 HydrophobicContact CD2-CB 4.09Å; F20-P56 HydrophobicContact CE1-CB 4.14Å; F20-P56 HydrophobicContact CE2-CB 4.02Å; F20-P56 HydrophobicContact CG-CB 4.18Å; F20-P56 HydrophobicContact CZ-CB 4.04Å; W35-P56 HydrophobicContact CD2-CG 4.05Å; W35-P56 HydrophobicContact CG-CG 4.17Å; W35-P56 HydrophobicContact CZ2-CG 4.02Å |
| 57 | N | 93.8 | Very high | 91.8 | Very high | 95 Ų | 95 | 95.4 Ų | 95.4 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | trans | -142.7 | 167.9 | 175.7 | 67.5 | 31.2 | 0 | 0 | 0 | 109.6 | G59 Y60 | N57-G59 PolarHBondContact O-N 2.97Å; N57-G59 WeakPolarHBondContact OD1-CA 3.29Å; N57-G59 PolarHBondContact OD1-N 2.65Å; N57-Y60 PolarHBondContact O-N 2.99Å; N57-Y60 WeakPolarHBondContact OD1-CD2 3.26Å; N57-Y60 VanDerWaalsContact OD1-CE2 3.24Å; N57-Y60 WeakPolarHBondContact OD1-CE2 3.45Å; N57-Y60 PolarHBondContact OD1-N 2.89Å | ||
| 58 | T | 93.3 | Very high | 91.4 | Very high | 139 Ų | 139 | 89.7 Ų | 89.7 | 85% | 0.853 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -62.1 | -25.5 | 179.6 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | Y60 G61 | T58-Y60 PolarHBondContact O-N 3.45Å; T58-G61 PolarHBondContact O-N 3.19Å |
| 59 | G | 94.1 | Very high | 91 | Very high | 49 Ų | 49 | 85.8 Ų | 85.8 | 51% | 0.505 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -60.1 | -27.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K15 N57 G61 | K15-G59 VanDerWaalsContact CD-O 3.27Å; K15-G59 WeakPolarHBondContact CD-O 3.13Å; K15-G59 PolarHBondContact NZ-O 2.79Å; N57-G59 PolarHBondContact O-N 2.97Å; N57-G59 WeakPolarHBondContact OD1-CA 3.29Å; N57-G59 PolarHBondContact OD1-N 2.65Å; G59-G61 VanDerWaalsContact C-N 3.31Å; G59-G61 PolarHBondContact O-N 3.38Å |
| 60 | Y | 93.8 | Very high | 90.6 | Very high | 67 Ų | 67 | 85.9 Ų | 85.9 | 26% | 0.263 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -77.9 | -11 | 175.9 | -60.2 | -71.3 | 0 | 0 | 0 | 114.4 | R16 F20 M55 N57 T58 | R16-Y60 HydrophobicContact CB-CD1 4.03Å; R16-Y60 HydrophobicContact CB-CE1 4.42Å; F20-Y60 HydrophobicContact CE1-CE2 4.24Å; F20-Y60 AromaticContact CZ-CD2 3.75Å; F20-Y60 HydrophobicContact CZ-CD2 3.75Å; F20-Y60 AromaticContact CZ-CE2 3.87Å; F20-Y60 HydrophobicContact CZ-CE2 3.87Å; F20-Y60 HydrophobicContact CZ-CG 4.18Å; M55-Y60 WeakPolarHBondContact O-CE2 3.45Å; N57-Y60 PolarHBondContact O-N 2.99Å; N57-Y60 WeakPolarHBondContact OD1-CD2 3.26Å; N57-Y60 VanDerWaalsContact OD1-CE2 3.24Å; N57-Y60 WeakPolarHBondContact OD1-CE2 3.45Å; N57-Y60 PolarHBondContact OD1-N 2.89Å; T58-Y60 PolarHBondContact O-N 3.45Å |
| 61 | G | 90.5 | Very high | 90 | Very high | 45 Ų | 45 | 78.2 Ų | 78.2 | 46% | 0.464 | 44% | 0.442 | S | S | . | . | trans | -69.8 | 146.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K15 T58 G59 | K15-G61 PolarHBondContact NZ-O 2.87Å; T58-G61 PolarHBondContact O-N 3.19Å; G59-G61 VanDerWaalsContact C-N 3.31Å; G59-G61 PolarHBondContact O-N 3.38Å | ||
| 62 | N | 90.9 | Very high | 89.5 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | trans | -120.3 | 130.8 | 171.6 | -69.4 | -18.9 | 0 | 0 | 0 | 109.5 | V13 K15 K66 | V13-N62 PolarHBondContact O-ND2 3.22Å; K15-N62 VanDerWaalsContact CE-OD1 3.3Å; K15-N62 WeakPolarHBondContact CE-OD1 3.12Å; N62-K66 WeakPolarHBondContact O-CB 3.4Å | ||
| 63 | K | 88.5 | Confident | 88.9 | Confident | 201 Ų | 201 | 72.1 Ų | 72.1 | 87% | 0.874 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -86.6 | -50.6 | -179.9 | -65 | -175.9 | 179.4 | -177.8 | 0 | 112.7 | ||
| 64 | K | 86.8 | Confident | 88.5 | Confident | 185 Ų | 185 | 75.1 Ų | 75.1 | 80% | 0.804 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -39.4 | -171.8 | -64.2 | -174.7 | 178.6 | -177.3 | 0 | 114.3 | ||
| 65 | T | 88.8 | Confident | 88.2 | Confident | 12 Ų | 12 | 76.4 Ų | 76.4 | 7% | 0.074 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 25.1 | -175.6 | 67.5 | 0 | 0 | 0 | 0 | 112 | P10 I12 | P10-T65 HydrophobicContact CB-CG2 4.35Å; P10-T65 HydrophobicContact CG-CG2 4.36Å; I12-T65 HydrophobicContact CG1-CG2 4.5Å |
| 66 | K | 88.5 | Confident | 87.8 | Confident | 122 Ų | 122 | 78.5 Ų | 78.5 | 53% | 0.53 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 134.8 | 177.3 | -154.3 | -167.5 | 177.9 | -165 | 0 | 108.1 | N62 M68 | N62-K66 WeakPolarHBondContact O-CB 3.4Å; K66-M68 PolarHBondContact O-N 3.16Å |
| 67 | H | 87 | Confident | 87.4 | Confident | 136 Ų | 136 | 80.2 Ų | 80.2 | 63% | 0.63 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 4.7 | -179.8 | -50.8 | -71.9 | 0 | 0 | 0 | 116.8 | P69 | H67-P69 WeakPolarHBondContact O-CD 3Š|
| 68 | M | 87 | Confident | 87.2 | Confident | 15 Ų | 15 | 75.7 Ų | 75.7 | 7% | 0.074 | 39% | 0.393 | C | S | . | . | trans | -79.2 | 123.2 | 177.9 | -174 | 177.5 | -93.9 | 0 | 0 | 111.4 | P10 I12 K66 G72 | P10-M68 HydrophobicContact CG-CE 3.89Å; P10-M68 HydrophobicContact CG-SD 3.76Å; I12-M68 HydrophobicContact CD1-CG 4.17Å; I12-M68 HydrophobicContact CD1-SD 4.35Å; I12-M68 HydrophobicContact CG1-SD 4.4Å; K66-M68 PolarHBondContact O-N 3.16Å; M68-G72 WeakPolarHBondContact CE-O 3.3Å | ||
| 69 | P | 83.9 | Confident | 87 | Confident | 19 Ų | 19 | 73.1 Ų | 73.1 | 12% | 0.123 | 37% | 0.371 | C | S | . | . | trans | -75.2 | 167.5 | 169.8 | 33.2 | -35.5 | 0 | 0 | 0 | 112.2 | I12 H67 S71 G72 F73 K75 | I12-P69 WeakPolarHBondContact CD1-O 3.49Å; H67-P69 WeakPolarHBondContact O-CD 3Å; P69-S71 WeakPolarHBondContact CG-OG 3.46Å; P69-S71 PolarHBondContact O-N 2.89Å; P69-S71 VanDerWaalsContact O-N 3.13Å; P69-G72 PolarHBondContact O-N 3.48Å; P69-F73 WeakPolarHBondContact CD-O 3.27Å; P69-F73 WeakPolarHBondContact CG-O 3.25Å; P69-K75 HydrophobicContact CG-CG 4.12Å | ||
| 70 | P | 85.3 | Confident | 86.7 | Confident | 109 Ų | 109 | 75 Ų | 75 | 71% | 0.708 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.8 | 178.7 | -21.3 | 32.5 | 0 | 0 | 0 | 114.8 | K9 G72 | K9-P70 WeakPolarHBondContact CE-O 3.31Å; K9-P70 PolarHBondContact NZ-O 2.98Å; P70-G72 PolarHBondContact O-N 3.22Å |
| 71 | S | 80.4 | Confident | 86.2 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 34% | 0.343 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.8 | 174.2 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | P69 | P69-S71 WeakPolarHBondContact CG-OG 3.46Å; P69-S71 PolarHBondContact O-N 2.89Å; P69-S71 VanDerWaalsContact O-N 3.13Å |
| 72 | G | 79.6 | Confident | 86 | Confident | 5 Ų | 5 | 81.5 Ų | 81.5 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | S | Bend | trans | 92.2 | 0.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M68 P69 P70 | M68-G72 WeakPolarHBondContact CE-O 3.3Å; P69-G72 PolarHBondContact O-N 3.48Å; P70-G72 PolarHBondContact O-N 3.22Å |
| 73 | F | 81.7 | Confident | 85.5 | Confident | 16 Ų | 16 | 82 Ų | 82 | 7% | 0.07 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -100.2 | 142.5 | 175.5 | -61.6 | -72.7 | 0 | 0 | 0 | 111.5 | L4 P6 P69 S93 C95 P118 | L4-F73 WeakPolarHBondContact O-CZ 3.38Å; P6-F73 HydrophobicContact CB-CD1 4.14Å; P6-F73 HydrophobicContact CB-CE1 3.63Å; P6-F73 HydrophobicContact CB-CE2 4.41Å; P6-F73 HydrophobicContact CB-CZ 3.78Å; P6-F73 HydrophobicContact CG-CE1 4.46Å; P6-F73 HydrophobicContact CG-CE2 4.39Å; P6-F73 HydrophobicContact CG-CZ 4.17Å; P69-F73 WeakPolarHBondContact CD-O 3.27Å; P69-F73 WeakPolarHBondContact CG-O 3.25Å; F73-S93 VanDerWaalsContact CD1-O 3.26Å; F73-S93 WeakPolarHBondContact CD1-O 3.4Å; F73-C95 HydrophobicContact CB-CB 3.68Å; F73-C95 HydrophobicContact CG-CB 4.45Å; F73-P118 HydrophobicContact CD2-CG 4.08Å; F73-P118 HydrophobicContact CE1-CG 4.03Å; F73-P118 HydrophobicContact CE2-CB 3.95Å; F73-P118 HydrophobicContact CE2-CG 3.42Å; F73-P118 VanDerWaalsContact CE2-CG 3.42Å; F73-P118 HydrophobicContact CZ-CB 4.34Å; F73-P118 HydrophobicContact CZ-CG 3.38Å |
| 74 | W | 83.6 | Confident | 85.1 | Confident | 107 Ų | 107 | 73.1 Ų | 73.1 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 135 | 177 | -73.7 | 58.8 | 0 | 0 | 0 | 110.2 | P94 C95 | W74-P94 CarbonylContact O-C 3.51Å; W74-P94 WeakPolarHBondContact O-CA 3.46Å; W74-P94 VanDerWaalsContact O-CB 3.26Å; W74-P94 WeakPolarHBondContact O-CB 3.08Å; W74-C95 PolarHBondContact O-N 3.35Å |
| 75 | K | 85.1 | Confident | 84.6 | Confident | 114 Ų | 114 | 70.9 Ų | 70.9 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 130.3 | -179.8 | -62.7 | 177.8 | 170.5 | -135.3 | 0 | 110.5 | P69 C95 E97 | P69-K75 HydrophobicContact CG-CG 4.12Å; K75-C95 WeakPolarHBondContact CA-O 3.43Å; K75-E97 WeakPolarHBondContact CD-OE1 3.48Å; K75-E97 WeakPolarHBondContact CE-OE1 3.33Å; K75-E97 IonicContact NZ-OE1 3.9Å; K75-E97 PolarHBondContact NZ-OE1 3.33Å; K75-E97 IonicContact NZ-OE2 2.65Å |
| 76 | F | 86 | Confident | 83.9 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.4 | 171.6 | -178.4 | -102.9 | 0 | 0 | 0 | 109 | V78 P87 P94 C95 A96 E97 | F76-V78 HydrophobicContact CD1-CG2 3.65Å; F76-V78 HydrophobicContact CE1-CG2 3.86Å; F76-P87 HydrophobicContact CD1-CG 3.69Å; F76-P87 HydrophobicContact CE1-CG 3.76Å; F76-P87 HydrophobicContact CG-CG 4.46Å; F76-P94 HydrophobicContact CB-CB 3.9Å; F76-P94 HydrophobicContact CB-CG 4.32Å; F76-C95 PolarHBondContact N-O 3.42Å; F76-A96 CarbonylContact O-C 3.57Å; F76-A96 VanDerWaalsContact O-CA 3.29Å; F76-A96 WeakPolarHBondContact O-CA 3.5Å; F76-E97 PolarHBondContact O-N 2.99Å |
| 77 | L | 87.8 | Confident | 82.9 | Confident | 90 Ų | 90 | 69.5 Ų | 69.5 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 123.9 | 179.9 | -173.5 | 68.7 | 0 | 0 | 0 | 109.3 | E97 A99 | L77-E97 CarbonylContact C-O 3.37Å; L77-E97 WeakPolarHBondContact CA-O 3.01Å; L77-E97 HydrophobicContact CD1-CB 4.48Å; L77-A99 HydrophobicContact CD1-CB 3.87Å; L77-A99 HydrophobicContact CD2-CB 4.43Å; L77-A99 HydrophobicContact CG-CB 4.08Å |
| 78 | V | 88.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.5 | -179.3 | -177.9 | 0 | 0 | 0 | 0 | 110 | F76 N80 E83 A96 E97 A99 I110 | F76-V78 HydrophobicContact CD1-CG2 3.65Å; F76-V78 HydrophobicContact CE1-CG2 3.86Å; V78-N80 VanDerWaalsContact CG1-O 3.25Å; V78-N80 WeakPolarHBondContact CG1-O 3.46Å; V78-E83 HydrophobicContact CG1-CB 4.25Å; V78-A96 HydrophobicContact CG2-CB 3.66Å; V78-E97 PolarHBondContact N-O 3.17Å; V78-A99 WeakPolarHBondContact O-CB 3.21Å; V78-A99 PolarHBondContact O-N 3Å; V78-I110 HydrophobicContact CG1-CD1 4.14Å; V78-I110 HydrophobicContact CG1-CG2 4.32Å |
| 79 | H | 88.8 | Confident | 80.7 | Confident | 84 Ų | 84 | 73 Ų | 73 | 39% | 0.389 | 38% | 0.378 | S | S | . | . | trans | -101.3 | -34.2 | 175.1 | -65 | -78.9 | 0 | 0 | 0 | 112.5 | E83 A99 V102 | H79-E83 IonicContact CD2-OE2 3.63Å; H79-E83 PolarHBondContact N-OE2 2.84Å; H79-A99 WeakPolarHBondContact ND1-CB 3.46Å; H79-V102 WeakPolarHBondContact O-CG2 3.36Å | ||
| 80 | N | 88.1 | Confident | 79.8 | Confident | 88 Ų | 88 | 75.6 Ų | 75.6 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -133 | 159.8 | -173.4 | -62.2 | -61 | 0 | 0 | 0 | 112.7 | V78 K82 E83 | V78-N80 VanDerWaalsContact CG1-O 3.25Å; V78-N80 WeakPolarHBondContact CG1-O 3.46Å; N80-K82 VanDerWaalsContact C-N 3.27Å; N80-K82 PolarHBondContact O-N 3.37Å; N80-E83 HydrophobicContact CB-CG 4.39Å; N80-E83 PolarHBondContact N-OE2 2.97Å; N80-E83 PolarHBondContact ND2-OE1 2.78Å; N80-E83 PolarHBondContact O-N 3.21Å |
| 81 | V | 83.5 | Confident | 78.5 | Confident | 70 Ų | 70 | 76.3 Ų | 76.3 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -62.8 | -34.9 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | E83 L84 A109 I110 | V81-E83 VanDerWaalsContact C-N 3.26Å; V81-E83 PolarHBondContact O-N 3.36Å; V81-L84 WeakPolarHBondContact O-CB 3.44Å; V81-L84 PolarHBondContact O-N 3.13Å; V81-L84 VanDerWaalsContact O-N 3.13Å; V81-A109 HydrophobicContact CG2-CB 4.25Å; V81-I110 HydrophobicContact CG2-CG1 3.85Å |
| 82 | K | 85.4 | Confident | 77.7 | Confident | 179 Ų | 179 | 82 Ų | 82 | 78% | 0.778 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -64.5 | -29.5 | 177.9 | -63.9 | -176.1 | 178.5 | -175.2 | 0 | 113.2 | N80 L84 E85 | N80-K82 VanDerWaalsContact C-N 3.27Å; N80-K82 PolarHBondContact O-N 3.37Å; K82-L84 PolarHBondContact O-N 3.46Å; K82-E85 PolarHBondContact O-N 2.81Å |
| 83 | E | 81.9 | Confident | 76.9 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 25% | 0.252 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -72.8 | -8.2 | 178.6 | -69 | 163.1 | -149.3 | 0 | 0 | 112.3 | V78 H79 N80 V81 E85 P87 | V78-E83 HydrophobicContact CG1-CB 4.25Å; H79-E83 IonicContact CD2-OE2 3.63Å; H79-E83 PolarHBondContact N-OE2 2.84Å; N80-E83 HydrophobicContact CB-CG 4.39Å; N80-E83 PolarHBondContact N-OE2 2.97Å; N80-E83 PolarHBondContact ND2-OE1 2.78Å; N80-E83 PolarHBondContact O-N 3.21Å; V81-E83 VanDerWaalsContact C-N 3.26Å; V81-E83 PolarHBondContact O-N 3.36Å; E83-E85 VanDerWaalsContact C-N 3.28Å; E83-E85 PolarHBondContact O-N 2.9Å; E83-P87 WeakPolarHBondContact O-CD 3.37Å |
| 84 | L | 79.1 | Confident | 76.4 | Confident | 15 Ų | 15 | 84.4 Ų | 84.4 | 8% | 0.079 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -73.7 | -20.8 | 178.8 | -159.9 | 63.6 | 0 | 0 | 0 | 113.2 | V81 K82 P87 L88 I110 G113 Q114 | V81-L84 WeakPolarHBondContact O-CB 3.44Å; V81-L84 PolarHBondContact O-N 3.13Å; V81-L84 VanDerWaalsContact O-N 3.13Å; K82-L84 PolarHBondContact O-N 3.46Å; L84-P87 WeakPolarHBondContact O-CD 3.47Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-I110 HydrophobicContact CD1-CG2 4.23Å; L84-G113 VanDerWaalsContact CD2-C 3.44Å; L84-G113 WeakPolarHBondContact CD2-O 3.41Å; L84-Q114 HydrophobicContact CD1-CG 3.77Å; L84-Q114 HydrophobicContact CD2-CG 4.11Å; L84-Q114 HydrophobicContact CG-CG 4.44Å |
| 85 | E | 76 | Confident | 76.1 | Confident | 137 Ų | 137 | 79.7 Ų | 79.7 | 64% | 0.64 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -72.4 | -33.2 | 177.5 | -66 | 175.6 | -171.4 | 0 | 0 | 111.9 | K82 E83 L88 | K82-E85 PolarHBondContact O-N 2.81Å; E83-E85 VanDerWaalsContact C-N 3.28Å; E83-E85 PolarHBondContact O-N 2.9Å; E85-L88 WeakPolarHBondContact O-CB 3.36Å; E85-L88 PolarHBondContact O-N 2.7Å |
| 86 | V | 73.5 | Confident | 75.9 | Confident | 90 Ų | 90 | 74.7 Ų | 74.7 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -64.3 | -43.2 | -176.1 | -179.5 | 0 | 0 | 0 | 0 | 113 | L88 | V86-L88 PolarHBondContact O-N 3.41Š|
| 87 | P | 67.8 | Low | 75.9 | Confident | 16 Ų | 16 | 74.4 Ų | 74.4 | 10% | 0.104 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -56.5 | -28.3 | 172.3 | -31.3 | 35.9 | 0 | 0 | 0 | 115.8 | F76 E83 L84 T89 C90 P94 | F76-P87 HydrophobicContact CD1-CG 3.69Å; F76-P87 HydrophobicContact CE1-CG 3.76Å; F76-P87 HydrophobicContact CG-CG 4.46Å; E83-P87 WeakPolarHBondContact O-CD 3.37Å; L84-P87 WeakPolarHBondContact O-CD 3.47Å; P87-T89 VanDerWaalsContact C-N 3.29Å; P87-T89 PolarHBondContact O-N 3.16Å; P87-C90 PolarHBondContact O-N 3.22Å; P87-P94 HydrophobicContact CB-CG 3.96Å |
| 88 | L | 64.4 | Low | 75.9 | Confident | 97 Ų | 97 | 71 Ų | 71 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -69.4 | -28.6 | -169.2 | -60.2 | 175.3 | 0 | 0 | 0 | 112.8 | L84 E85 V86 P115 | L84-L88 WeakPolarHBondContact O-CG 3.39Å; E85-L88 WeakPolarHBondContact O-CB 3.36Å; E85-L88 PolarHBondContact O-N 2.7Å; V86-L88 PolarHBondContact O-N 3.41Å; L88-P115 HydrophobicContact CD2-CG 3.37Å |
| 89 | T | 64.8 | Low | 76 | Confident | 128 Ų | 128 | 71.4 Ų | 71.4 | 79% | 0.785 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -86.7 | -10.2 | -174.9 | -32.1 | 0 | 0 | 0 | 0 | 112.6 | P87 | P87-T89 VanDerWaalsContact C-N 3.29Å; P87-T89 PolarHBondContact O-N 3.16Å |
| 90 | C | 63.9 | Low | 76 | Confident | 73 Ų | 73 | 76.5 Ų | 76.5 | 49% | 0.493 | 41% | 0.411 | S | S | . | . | trans | -87.4 | 116 | -176.7 | -73.7 | 0 | 0 | 0 | 0 | 111.5 | P87 K92 S93 | P87-C90 PolarHBondContact O-N 3.22Å; C90-K92 CarbonylContact O-C 3.48Å; C90-K92 PolarHBondContact O-N 3.47Å; C90-K92 VanDerWaalsContact O-N 3.1Å; C90-S93 PolarHBondContact O-N 3.1Å | ||
| 91 | S | 58.8 | Low | 76.1 | Confident | 124 Ų | 124 | 76.1 Ų | 76.1 | 87% | 0.867 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -59.3 | -22.5 | 178.7 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 92 | K | 63.1 | Low | 76.4 | Confident | 168 Ų | 168 | 73.9 Ų | 73.9 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -96.4 | 86.3 | 167 | -64.7 | 170.9 | -174.1 | 163.2 | 0 | 107.2 | C90 P94 | C90-K92 CarbonylContact O-C 3.48Å; C90-K92 PolarHBondContact O-N 3.47Å; C90-K92 VanDerWaalsContact O-N 3.1Å; K92-P94 WeakPolarHBondContact O-CD 3.32Å |
| 93 | S | 63.4 | Low | 76.6 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 37% | 0.371 | 38% | 0.384 | S | S | . | . | trans | -51.9 | 110.4 | -175.7 | 46.4 | 0 | 0 | 0 | 0 | 110.9 | F73 C90 | F73-S93 VanDerWaalsContact CD1-O 3.26Å; F73-S93 WeakPolarHBondContact CD1-O 3.4Å; C90-S93 PolarHBondContact O-N 3.1Å | ||
| 94 | P | 70.4 | Confident | 76.8 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 146.7 | 173.3 | 30.8 | -30.8 | 0 | 0 | 0 | 108.7 | W74 F76 P87 K92 | W74-P94 CarbonylContact O-C 3.51Å; W74-P94 WeakPolarHBondContact O-CA 3.46Å; W74-P94 VanDerWaalsContact O-CB 3.26Å; W74-P94 WeakPolarHBondContact O-CB 3.08Å; F76-P94 HydrophobicContact CB-CB 3.9Å; F76-P94 HydrophobicContact CB-CG 4.32Å; P87-P94 HydrophobicContact CB-CG 3.96Å; K92-P94 WeakPolarHBondContact O-CD 3.32Å |
| 95 | C | 77.3 | Confident | 77.3 | Confident | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.054 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 120.6 | 170.6 | -164 | 0 | 0 | 0 | 0 | 108.5 | F73 W74 K75 F76 P118 S120 | F73-C95 HydrophobicContact CB-CB 3.68Å; F73-C95 HydrophobicContact CG-CB 4.45Å; W74-C95 PolarHBondContact O-N 3.35Å; K75-C95 WeakPolarHBondContact CA-O 3.43Å; F76-C95 PolarHBondContact N-O 3.42Å; C95-P118 PolarHBondContact SG-O 2.96Å; C95-S120 WeakPolarHBondContact SG-CB 3.24Å; C95-S120 PolarHBondContact SG-OG 3.38Å |
| 96 | A | 81.8 | Confident | 77.8 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 7% | 0.066 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F76 V78 S120 | F76-A96 CarbonylContact O-C 3.57Å; F76-A96 VanDerWaalsContact O-CA 3.29Å; F76-A96 WeakPolarHBondContact O-CA 3.5Å; V78-A96 HydrophobicContact CG2-CB 3.66Å; A96-S120 PolarHBondContact O-OG 3.07Å |
| 97 | E | 84.4 | Confident | 78.4 | Confident | 61 Ų | 61 | 70.8 Ų | 70.8 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.1 | 169.7 | -66.4 | -174 | 168.9 | 0 | 0 | 108.5 | K75 F76 L77 V78 | K75-E97 WeakPolarHBondContact CD-OE1 3.48Å; K75-E97 WeakPolarHBondContact CE-OE1 3.33Å; K75-E97 IonicContact NZ-OE1 3.9Å; K75-E97 PolarHBondContact NZ-OE1 3.33Å; K75-E97 IonicContact NZ-OE2 2.65Å; F76-E97 PolarHBondContact O-N 2.99Å; L77-E97 CarbonylContact C-O 3.37Å; L77-E97 WeakPolarHBondContact CA-O 3.01Å; L77-E97 HydrophobicContact CD1-CB 4.48Å; V78-E97 PolarHBondContact N-O 3.17Å |
| 98 | I | 89.1 | Confident | 79.3 | Confident | 20 Ų | 20 | 76.2 Ų | 76.2 | 10% | 0.103 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 130 | 178 | -58.5 | 167.6 | 0 | 0 | 0 | 108.7 | V102 H107 I110 | I98-V102 HydrophobicContact CG2-CB 3.86Å; I98-V102 HydrophobicContact CG2-CG1 4.23Å; I98-V102 HydrophobicContact CG2-CG2 3.86Å; I98-H107 VanDerWaalsContact CD1-CE1 3.44Å; I98-H107 WeakPolarHBondContact CD1-CE1 3.47Å; I98-H107 WeakPolarHBondContact CD1-NE2 3.26Å; I98-H107 WeakPolarHBondContact CG2-CD2 3.38Å; I98-I110 HydrophobicContact CD1-CB 4.23Å; I98-I110 HydrophobicContact CD1-CG2 3.96Å; I98-I110 HydrophobicContact CG1-CG2 3.95Å; I98-I110 HydrophobicContact CG2-CD1 4.37Å |
| 99 | A | 90.3 | Very high | 80.3 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 6% | 0.058 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 148.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L77 V78 H79 S101 V102 | L77-A99 HydrophobicContact CD1-CB 3.87Å; L77-A99 HydrophobicContact CD2-CB 4.43Å; L77-A99 HydrophobicContact CG-CB 4.08Å; V78-A99 WeakPolarHBondContact O-CB 3.21Å; V78-A99 PolarHBondContact O-N 3Å; H79-A99 WeakPolarHBondContact ND1-CB 3.46Å; A99-S101 PolarHBondContact O-N 3.5Å; A99-S101 VanDerWaalsContact O-N 3.1Å; A99-V102 HydrophobicContact CB-CG2 4.2Å; A99-V102 WeakPolarHBondContact O-CG2 3.37Å; A99-V102 PolarHBondContact O-N 3.24Å |
| 100 | H | 88.2 | Confident | 81.2 | Confident | 191 Ų | 191 | 67.7 Ų | 67.7 | 88% | 0.884 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.3 | -177.4 | 98.3 | -59 | 0 | 0 | 0 | 113.9 | V102 | H100-V102 VanDerWaalsContact C-N 3.31Š|
| 101 | S | 90.6 | Very high | 82.1 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 57% | 0.566 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -9.6 | -175.2 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | A99 S103 | A99-S101 PolarHBondContact O-N 3.5Å; A99-S101 VanDerWaalsContact O-N 3.1Å; S101-S103 PolarHBondContact O-N 3.4Å |
| 102 | V | 90.9 | Very high | 83.1 | Confident | 22 Ų | 22 | 71.2 Ų | 71.2 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -74.7 | 127.5 | -176.8 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | H79 I98 A99 H100 N106 H107 I110 | H79-V102 WeakPolarHBondContact O-CG2 3.36Å; I98-V102 HydrophobicContact CG2-CB 3.86Å; I98-V102 HydrophobicContact CG2-CG1 4.23Å; I98-V102 HydrophobicContact CG2-CG2 3.86Å; A99-V102 HydrophobicContact CB-CG2 4.2Å; A99-V102 WeakPolarHBondContact O-CG2 3.37Å; A99-V102 PolarHBondContact O-N 3.24Å; H100-V102 VanDerWaalsContact C-N 3.31Å; V102-N106 HydrophobicContact CG1-CB 3.57Å; V102-H107 HydrophobicContact CG1-CB 4.39Å; V102-I110 HydrophobicContact CG1-CD1 4.09Å |
| 103 | S | 89.4 | Confident | 83.5 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 42% | 0.42 | 35% | 0.35 | S | S | . | . | trans | -61.9 | 154.9 | 176.8 | 72.4 | 0 | 0 | 0 | 0 | 111.6 | S101 K105 N106 H107 | S101-S103 PolarHBondContact O-N 3.4Å; S103-K105 PolarHBondContact O-N 3.18Å; S103-K105 VanDerWaalsContact O-N 3.16Å; S103-N106 PolarHBondContact O-N 3.46Å; S103-N106 VanDerWaalsContact O-N 3.13Å; S103-H107 WeakPolarHBondContact O-CB 3.48Å; S103-H107 PolarHBondContact O-N 2.95Å | ||
| 104 | S | 86.7 | Confident | 83.6 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58 | -32.5 | -178.7 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | K108 | S104-K108 WeakPolarHBondContact O-CG 3.41Å; S104-K108 PolarHBondContact O-N 3.33Å |
| 105 | K | 88 | Confident | 82.8 | Confident | 172 Ų | 172 | 67 Ų | 67 | 75% | 0.748 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.4 | -50.5 | 175.9 | -66.7 | -176 | -178.9 | -179.6 | 0 | 111.2 | S103 H107 K108 A109 | S103-K105 PolarHBondContact O-N 3.18Å; S103-K105 VanDerWaalsContact O-N 3.16Å; K105-H107 VanDerWaalsContact C-N 3.35Å; K105-K108 PolarHBondContact O-N 3.24Å; K105-A109 PolarHBondContact O-N 3.23Å |
| 106 | N | 86.4 | Confident | 81.6 | Confident | 81 Ų | 81 | 71.8 Ų | 71.8 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.3 | -32.2 | -179.6 | -68.4 | -6.1 | 0 | 0 | 0 | 111.6 | V102 S103 K108 A109 I110 | V102-N106 HydrophobicContact CG1-CB 3.57Å; S103-N106 PolarHBondContact O-N 3.46Å; S103-N106 VanDerWaalsContact O-N 3.13Å; N106-K108 VanDerWaalsContact C-N 3.35Å; N106-K108 PolarHBondContact O-N 3.16Å; N106-A109 WeakPolarHBondContact O-CB 3.37Å; N106-A109 PolarHBondContact O-N 3.49Å; N106-A109 VanDerWaalsContact O-N 3.16Å; N106-I110 WeakPolarHBondContact O-CG1 3.47Å; N106-I110 PolarHBondContact O-N 3.34Å |
| 107 | H | 86.4 | Confident | 79.8 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61 | -42.3 | 174.6 | -166.7 | -70.2 | 0 | 0 | 0 | 111.9 | I98 V102 S103 K105 W111 Q122 | I98-H107 VanDerWaalsContact CD1-CE1 3.44Å; I98-H107 WeakPolarHBondContact CD1-CE1 3.47Å; I98-H107 WeakPolarHBondContact CD1-NE2 3.26Å; I98-H107 WeakPolarHBondContact CG2-CD2 3.38Å; V102-H107 HydrophobicContact CG1-CB 4.39Å; S103-H107 WeakPolarHBondContact O-CB 3.48Å; S103-H107 PolarHBondContact O-N 2.95Å; K105-H107 VanDerWaalsContact C-N 3.35Å; H107-W111 VanDerWaalsContact O-CB 3.31Å; H107-W111 WeakPolarHBondContact O-CB 3.24Å; H107-W111 PolarHBondContact O-N 3.29Å; H107-Q122 PolarHBondContact NE2-NE2 3.21Å |
| 108 | K | 86.4 | Confident | 78 | Confident | 131 Ų | 131 | 72 Ų | 72 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.8 | -38.9 | 173.7 | -72.5 | 178.7 | -176.8 | -179.6 | 0 | 111.9 | S104 K105 N106 K112 | S104-K108 WeakPolarHBondContact O-CG 3.41Å; S104-K108 PolarHBondContact O-N 3.33Å; K105-K108 PolarHBondContact O-N 3.24Å; N106-K108 VanDerWaalsContact C-N 3.35Å; N106-K108 PolarHBondContact O-N 3.16Å; K108-K112 WeakPolarHBondContact O-CB 3.29Å; K108-K112 VanDerWaalsContact O-CG 3.31Å; K108-K112 WeakPolarHBondContact O-CG 3.4Å; K108-K112 PolarHBondContact O-N 3.31Å |
| 109 | A | 85.8 | Confident | 75.9 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 37% | 0.372 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V81 K105 N106 K112 G113 | V81-A109 HydrophobicContact CG2-CB 4.25Å; K105-A109 PolarHBondContact O-N 3.23Å; N106-A109 WeakPolarHBondContact O-CB 3.37Å; N106-A109 PolarHBondContact O-N 3.49Å; N106-A109 VanDerWaalsContact O-N 3.16Å; A109-K112 PolarHBondContact O-N 3.37Å; A109-G113 PolarHBondContact O-N 3.04Å |
| 110 | I | 84.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.7 | -65 | 167.5 | 0 | 0 | 0 | 110.5 | V78 V81 L84 I98 V102 N106 K112 G113 Q114 | V78-I110 HydrophobicContact CG1-CD1 4.14Å; V78-I110 HydrophobicContact CG1-CG2 4.32Å; V81-I110 HydrophobicContact CG2-CG1 3.85Å; L84-I110 HydrophobicContact CD1-CG2 4.23Å; I98-I110 HydrophobicContact CD1-CB 4.23Å; I98-I110 HydrophobicContact CD1-CG2 3.96Å; I98-I110 HydrophobicContact CG1-CG2 3.95Å; I98-I110 HydrophobicContact CG2-CD1 4.37Å; V102-I110 HydrophobicContact CG1-CD1 4.09Å; N106-I110 WeakPolarHBondContact O-CG1 3.47Å; N106-I110 PolarHBondContact O-N 3.34Å; I110-K112 PolarHBondContact O-N 3.12Å; I110-G113 PolarHBondContact O-N 3.43Å; I110-Q114 WeakPolarHBondContact O-CG 3.33Å; I110-Q114 PolarHBondContact O-N 2.81Å |
| 111 | W | 81.4 | Confident | 71.2 | Confident | 97 Ų | 97 | 77.6 Ų | 77.6 | 37% | 0.367 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 178.7 | 177.8 | -93.4 | 0 | 0 | 0 | 112.9 | H107 Q119 | H107-W111 VanDerWaalsContact O-CB 3.31Å; H107-W111 WeakPolarHBondContact O-CB 3.24Å; H107-W111 PolarHBondContact O-N 3.29Å; W111-Q119 HydrophobicContact CH2-CB 4.27Å; W111-Q119 HydrophobicContact CH2-CG 3.61Å; W111-Q119 VanDerWaalsContact CH2-NE2 3.29Å; W111-Q119 HydrophobicContact CZ2-CG 4.26Å; W111-Q119 HydrophobicContact CZ3-CG 4.3Å |
| 112 | K | 80.6 | Confident | 68.9 | Low | 175 Ų | 175 | 78 Ų | 78 | 76% | 0.761 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -72.7 | -31.6 | 178.6 | -70.8 | -179 | 178.7 | -169.2 | 0 | 112.6 | K108 A109 I110 Q114 | K108-K112 WeakPolarHBondContact O-CB 3.29Å; K108-K112 VanDerWaalsContact O-CG 3.31Å; K108-K112 WeakPolarHBondContact O-CG 3.4Å; K108-K112 PolarHBondContact O-N 3.31Å; A109-K112 PolarHBondContact O-N 3.37Å; I110-K112 PolarHBondContact O-N 3.12Å; K112-Q114 VanDerWaalsContact C-N 3.26Å; K112-Q114 PolarHBondContact O-N 3.28Å |
| 113 | G | 71.7 | Confident | 66.4 | Low | 43 Ų | 43 | 82.1 Ų | 82.1 | 44% | 0.443 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -76.6 | -8.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L84 A109 I110 P115 | L84-G113 VanDerWaalsContact CD2-C 3.44Å; L84-G113 WeakPolarHBondContact CD2-O 3.41Å; A109-G113 PolarHBondContact O-N 3.04Å; I110-G113 PolarHBondContact O-N 3.43Å; G113-P115 WeakPolarHBondContact O-CD 3.17Å |
| 114 | Q | 64.4 | Low | 63.8 | Low | 42 Ų | 42 | 88.2 Ų | 88.2 | 20% | 0.196 | 47% | 0.467 | C | S | . | . | trans | -74 | 114.4 | 176.6 | -82.3 | 177.9 | -61.2 | 0 | 0 | 110.8 | L84 I110 K112 S116 | L84-Q114 HydrophobicContact CD1-CG 3.77Å; L84-Q114 HydrophobicContact CD2-CG 4.11Å; L84-Q114 HydrophobicContact CG-CG 4.44Å; I110-Q114 WeakPolarHBondContact O-CG 3.33Å; I110-Q114 PolarHBondContact O-N 2.81Å; K112-Q114 VanDerWaalsContact C-N 3.26Å; K112-Q114 PolarHBondContact O-N 3.28Å; Q114-S116 PolarHBondContact O-N 3.42Å; Q114-S116 VanDerWaalsContact O-N 3.12Å | ||
| 115 | P | 53.4 | Low | 61.5 | Low | 66 Ų | 66 | 89.2 Ų | 89.2 | 43% | 0.429 | 47% | 0.473 | S | S | . | . | trans | -72.8 | 107.7 | 170.3 | 29.3 | -30.2 | 0 | 0 | 0 | 108.4 | L88 G113 C117 | L88-P115 HydrophobicContact CD2-CG 3.37Å; G113-P115 WeakPolarHBondContact O-CD 3.17Å; P115-C117 PolarHBondContact O-N 3.47Å | ||
| 116 | S | 52.3 | Low | 59.4 | Low | 109 Ų | 109 | 86.3 Ų | 86.3 | 76% | 0.762 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 38.2 | 42.9 | 165.3 | 64.5 | 0 | 0 | 0 | 0 | 116.5 | L4 Q114 | L4-S116 WeakPolarHBondContact CD1-O 3.5Å; Q114-S116 PolarHBondContact O-N 3.42Å; Q114-S116 VanDerWaalsContact O-N 3.12Å |
| 117 | C | 45.5 | Very low | 57 | Low | 42 Ų | 42 | 86.1 Ų | 86.1 | 28% | 0.284 | 47% | 0.472 | S | S | . | . | trans | -85.7 | 144.5 | 171.8 | -77.7 | 0 | 0 | 0 | 0 | 109.8 | P115 Q119 | P115-C117 PolarHBondContact O-N 3.47Å; C117-Q119 PolarHBondContact O-N 2.75Å; C117-Q119 VanDerWaalsContact O-N 3.16Å | ||
| 118 | P | 46.5 | Very low | 54.9 | Low | 31 Ų | 31 | 88.3 Ų | 88.3 | 20% | 0.201 | 50% | 0.496 | C | S | . | . | trans | -58.5 | 123.5 | 174.6 | 2.2 | -2.4 | 0 | 0 | 0 | 109.2 | L4 F73 C95 S120 | L4-P118 HydrophobicContact CB-CB 3.8Å; L4-P118 HydrophobicContact CB-CG 3.66Å; L4-P118 HydrophobicContact CD1-CB 4.27Å; L4-P118 HydrophobicContact CD1-CG 4.13Å; F73-P118 HydrophobicContact CD2-CG 4.08Å; F73-P118 HydrophobicContact CE1-CG 4.03Å; F73-P118 HydrophobicContact CE2-CB 3.95Å; F73-P118 HydrophobicContact CE2-CG 3.42Å; F73-P118 VanDerWaalsContact CE2-CG 3.42Å; F73-P118 HydrophobicContact CZ-CB 4.34Å; F73-P118 HydrophobicContact CZ-CG 3.38Å; C95-P118 PolarHBondContact SG-O 2.96Å; P118-S120 PolarHBondContact O-N 2.75Å; P118-S120 VanDerWaalsContact O-N 3.08Å | ||
| 119 | Q | 44.9 | Very low | 53 | Low | 118 Ų | 118 | 88.3 Ų | 88.3 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | trans | -55.6 | 113 | 173.8 | -63.3 | 178.2 | -22.4 | 0 | 0 | 109 | W111 C117 H121 | W111-Q119 HydrophobicContact CH2-CB 4.27Å; W111-Q119 HydrophobicContact CH2-CG 3.61Å; W111-Q119 VanDerWaalsContact CH2-NE2 3.29Å; W111-Q119 HydrophobicContact CZ2-CG 4.26Å; W111-Q119 HydrophobicContact CZ3-CG 4.3Å; C117-Q119 PolarHBondContact O-N 2.75Å; C117-Q119 VanDerWaalsContact O-N 3.16Å; Q119-H121 PolarHBondContact O-N 3.25Å | ||
| 120 | S | 39.3 | Very low | 51 | Low | 35 Ų | 35 | 93.9 Ų | 93.9 | 25% | 0.245 | 52% | 0.516 | C | S | . | . | trans | -70 | 127.2 | 162.6 | 36 | 0 | 0 | 0 | 0 | 108.7 | C95 A96 P118 Q122 | C95-S120 WeakPolarHBondContact SG-CB 3.24Å; C95-S120 PolarHBondContact SG-OG 3.38Å; A96-S120 PolarHBondContact O-OG 3.07Å; P118-S120 PolarHBondContact O-N 2.75Å; P118-S120 VanDerWaalsContact O-N 3.08Å; S120-Q122 PolarHBondContact O-N 3.42Å | ||
| 121 | H | 39.8 | Very low | 49.1 | Very low | 183 Ų | 183 | 104.8 Ų | 104.8 | 85% | 0.847 | 56% | 0.557 | S | S | * | * | trans | -27.9 | 103.6 | 162.3 | -67.3 | -84.9 | 0 | 0 | 0 | 112.9 | Q119 | Q119-H121 PolarHBondContact O-N 3.25Š| ||
| 122 | Q | 42.5 | Very low | 47 | Very low | 90 Ų | 90 | 113.1 Ų | 113.1 | 42% | 0.421 | 60% | 0.596 | S | S | . | * | trans | -98.6 | 128.8 | 155.5 | -84.9 | -173.1 | -42.9 | 0 | 0 | 108 | H107 S120 | H107-Q122 PolarHBondContact NE2-NE2 3.21Å; S120-Q122 PolarHBondContact O-N 3.42Å | ||
| 123 | P | 37.5 | Very low | 45.3 | Very low | 107 Ų | 107 | 110.1 Ų | 110.1 | 70% | 0.695 | 59% | 0.588 | S | S | * | * | trans | -60.5 | 148.2 | 162.7 | 28.8 | -31.5 | 0 | 0 | 0 | 108.2 | C125 | P123-C125 VanDerWaalsContact C-N 3.29Å; P123-C125 PolarHBondContact O-N 3.07Å | ||
| 124 | Q | 35.8 | Very low | 43.9 | Very low | 188 Ų | 188 | 113.6 Ų | 113.6 | 88% | 0.879 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -55.2 | 76.9 | -172.5 | -62.8 | 164.8 | -38 | 0 | 0 | 113.7 | ||
| 125 | C | 38.1 | Very low | 42.8 | Very low | 84 Ų | 84 | 117.6 Ų | 117.6 | 57% | 0.568 | 62% | 0.618 | S | S | * | * | trans | -91 | -15.5 | 167 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | P123 A127 A128 | P123-C125 VanDerWaalsContact C-N 3.29Å; P123-C125 PolarHBondContact O-N 3.07Å; C125-A127 VanDerWaalsContact C-N 3.31Å; C125-A127 PolarHBondContact O-N 2.93Å; C125-A128 PolarHBondContact O-N 3.37Å | ||
| 126 | Q | 43.5 | Very low | 42.2 | Very low | 110 Ų | 110 | 120.6 Ų | 120.6 | 51% | 0.514 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -68.2 | -28.3 | -176.6 | -65 | -174.4 | -4.2 | 0 | 0 | 113.2 | A128 | Q126-A128 VanDerWaalsContact C-N 3.27Å; Q126-A128 PolarHBondContact O-N 3.14Å |
| 127 | A | 36.1 | Very low | 41.5 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -71.9 | -18.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C125 | C125-A127 VanDerWaalsContact C-N 3.31Å; C125-A127 PolarHBondContact O-N 2.93Å |
| 128 | A | 42.2 | Very low | 41.3 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 66% | 0.661 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -88.6 | -19.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C125 Q126 | C125-A128 PolarHBondContact O-N 3.37Å; Q126-A128 VanDerWaalsContact C-N 3.27Å; Q126-A128 PolarHBondContact O-N 3.14Å |
| 129 | Q | 46.5 | Very low | 40.9 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 61% | 0.612 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -100.7 | -4.6 | -168.6 | -73.1 | 170.6 | -26.8 | 0 | 0 | 114.7 | R131 | Q129-R131 VanDerWaalsContact C-N 3.34Š|
| 130 | Q | 43.5 | Very low | 40.6 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -90 | 9.7 | 175.1 | -63.3 | -159.1 | 3.3 | 0 | 0 | 114.1 | ||
| 131 | R | 45 | Very low | 40.7 | Very low | 228 Ų | 228 | 142.9 Ų | 142.9 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -100.1 | 24.3 | -178.7 | -68.4 | -172.6 | 178.1 | 175.5 | -0.9 | 114.4 | Q129 | Q129-R131 VanDerWaalsContact C-N 3.34Š| ||
| 132 | K | 37.8 | Very low | 40.8 | Very low | 273 Ų | 273 | 139.3 Ų | 139.3 | 100% | 1.187 | 71% | 0.709 | S | S | * | * | trans | -139.4 | 0 | 169.9 | -68.3 | -167.2 | -179.5 | -169.1 | 0 | 110.6 |
Retrieved 132 of 132 residues in 22.8 ms
(Link to these results)