| 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 | 95.1 | Very high | 93.4 | Very high | 81 Ų | 81 | 81.4 Ų | 81.4 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | 0 | 154 | 0 | 64.7 | -168.3 | 139.8 | 0 | 0 | 110.8 | V3 L22 Y26 F50 A51 V53 | M1-V3 HydrophobicContact CG-CG2 4.06Å; M1-L22 HydrophobicContact CE-CD2 4.35Å; M1-Y26 HydrophobicContact CE-CD2 4.02Å; M1-Y26 HydrophobicContact CE-CE2 3.41Å; M1-Y26 VanDerWaalsContact CE-CE2 3.41Å; M1-Y26 HydrophobicContact SD-CE2 3.66Å; M1-Y26 PolarHBondContact SD-OH 2.97Å; M1-F50 WeakPolarHBondContact O-CA 3.42Å; M1-A51 HydrophobicContact CE-CB 3.96Å; M1-A51 HydrophobicContact CG-CB 4.23Å; M1-A51 PolarHBondContact N-O 3.09Å; M1-A51 PolarHBondContact O-N 2.79Å; M1-V53 HydrophobicContact CE-CG2 3.39Å | |||
| 2 | V | 96.5 | Very high | 93.3 | Very high | 101 Ų | 101 | 80.1 Ų | 80.1 | 61% | 0.612 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 137.5 | 166.7 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | G49 F50 | V2-G49 WeakPolarHBondContact CA-O 3.3Å; V2-F50 HydrophobicContact CG2-CD1 4.23Å; V2-F50 HydrophobicContact CG2-CE1 3.93Å |
| 3 | V | 96.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 75.4 Ų | 75.4 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 112.4 | 178 | -178 | 0 | 0 | 0 | 0 | 108.6 | M1 I5 L22 F38 T48 G49 A51 | M1-V3 HydrophobicContact CG-CG2 4.06Å; V3-I5 HydrophobicContact CG1-CD1 4.36Å; V3-I5 HydrophobicContact CG1-CG1 3.88Å; V3-L22 HydrophobicContact CG2-CD1 4.24Å; V3-L22 HydrophobicContact CG2-CD2 4.45Å; V3-F38 HydrophobicContact CB-CE1 4.11Å; V3-F38 HydrophobicContact CB-CZ 4.01Å; V3-F38 HydrophobicContact CG1-CE1 4.14Å; V3-F38 HydrophobicContact CG1-CZ 4.16Å; V3-T48 WeakPolarHBondContact O-CA 3.35Å; V3-G49 PolarHBondContact N-O 2.96Å; V3-G49 PolarHBondContact O-N 2.94Å; V3-A51 HydrophobicContact CG2-CB 3.49Å; V3-A51 VanDerWaalsContact CG2-CB 3.49Å |
| 4 | D | 95.5 | Very high | 93.2 | Very high | 86 Ų | 86 | 74.7 Ų | 74.7 | 46% | 0.46 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.8 | 171.3 | -81.6 | 0.4 | 0 | 0 | 0 | 109.2 | K46 T48 | D4-K46 VanDerWaalsContact CG-CE 3.49Å; D4-K46 WeakPolarHBondContact OD2-CE 3.09Å; D4-K46 IonicContact OD2-NZ 3.65Å; D4-K46 PolarHBondContact OD2-NZ 2.83Å; D4-T48 WeakPolarHBondContact OD1-CB 3.43Å; D4-T48 WeakPolarHBondContact OD1-CG2 3.28Å |
| 5 | I | 95.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 76.4 Ų | 76.4 | 11% | 0.108 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.2 | -179.3 | -52.5 | 174.5 | 0 | 0 | 0 | 108.1 | V3 H7 L13 I18 F38 K46 S47 | V3-I5 HydrophobicContact CG1-CD1 4.36Å; V3-I5 HydrophobicContact CG1-CG1 3.88Å; I5-H7 PolarHBondContact O-CD2 2.87Å; I5-L13 HydrophobicContact CG2-CD1 3.78Å; I5-L13 HydrophobicContact CG2-CD2 4.11Å; I5-L13 HydrophobicContact CG2-CG 4.44Å; I5-I18 HydrophobicContact CD1-CD1 3.29Å; I5-I18 HydrophobicContact CD1-CG1 3.54Å; I5-I18 HydrophobicContact CD1-CG2 4.29Å; I5-F38 HydrophobicContact CD1-CD1 3.84Å; I5-F38 HydrophobicContact CD1-CE1 3.34Å; I5-F38 HydrophobicContact CD1-CZ 4.13Å; I5-F38 HydrophobicContact CG1-CE1 4.01Å; I5-K46 CarbonylContact O-C 3.57Å; I5-K46 WeakPolarHBondContact O-CA 3.5Å; I5-S47 PolarHBondContact N-O 3.33Å; I5-S47 PolarHBondContact O-N 3.48Å |
| 6 | L | 94.7 | Very high | 93.2 | Very high | 131 Ų | 131 | 77.6 Ų | 77.6 | 69% | 0.686 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.7 | 169.3 | -58.5 | 177.6 | 0 | 0 | 0 | 108.6 | K46 | L6-K46 HydrophobicContact CD2-CB 4.25Å; L6-K46 HydrophobicContact CD2-CD 4.07Å; L6-K46 HydrophobicContact CD2-CG 4.02Å |
| 7 | H | 92.4 | Very high | 93.3 | Very high | 9 Ų | 9 | 75.3 Ų | 75.3 | 4% | 0.042 | 44% | 0.438 | C | S | . | . | trans | -139 | 60.9 | 177.9 | 53.3 | 81.8 | 0 | 0 | 0 | 110.3 | I5 G9 R10 L13 G45 S47 | I5-H7 PolarHBondContact O-CD2 2.87Å; H7-G9 PolarHBondContact O-N 3.31Å; H7-R10 HydrophobicContact CB-CB 4.49Å; H7-R10 PolarHBondContact ND1-O 2.92Å; H7-R10 VanDerWaalsContact ND1-O 3.13Å; H7-R10 PolarHBondContact O-N 3.49Å; H7-L13 HydrophobicContact CB-CD1 3.69Å; H7-G45 CarbonylContact C-O 3.56Å; H7-G45 PolarHBondContact N-O 2.79Å; H7-S47 WeakPolarHBondContact NE2-CB 3.37Å; H7-S47 PolarHBondContact NE2-N 3.48Å; H7-S47 PolarHBondContact NE2-OG 3.02Å | ||
| 8 | P | 93.1 | Very high | 93.4 | Very high | 106 Ų | 106 | 71.6 Ų | 71.6 | 69% | 0.688 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 136.7 | 177.4 | 29 | -34.9 | 0 | 0 | 0 | 110.1 | R10 | P8-R10 PolarHBondContact O-N 2.88Š|
| 9 | G | 90 | Very high | 93.5 | Very high | 98 Ų | 98 | 68.9 Ų | 68.9 | 100% | 1.01 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 2.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | H7 | H7-G9 PolarHBondContact O-N 3.31Š|
| 10 | R | 89.9 | Confident | 93.6 | Very high | 137 Ų | 137 | 70.7 Ų | 70.7 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -124.6 | 149.2 | 178.6 | -169.2 | 179.6 | 174.2 | -152.9 | -10 | 110.6 | H7 P8 E17 | H7-R10 HydrophobicContact CB-CB 4.49Å; H7-R10 PolarHBondContact ND1-O 2.92Å; H7-R10 VanDerWaalsContact ND1-O 3.13Å; H7-R10 PolarHBondContact O-N 3.49Å; P8-R10 PolarHBondContact O-N 2.88Å; R10-E17 IonicContact CZ-OE1 3.68Å; R10-E17 IonicContact CZ-OE2 3.68Å; R10-E17 IonicContact NH1-OE1 3.9Å; R10-E17 PolarHBondContact NH1-OE1 3.29Å; R10-E17 IonicContact NH1-OE2 3.16Å; R10-E17 IonicContact NH2-OE1 3.48Å; R10-E17 PolarHBondContact NH2-OE1 3Å; R10-E17 IonicContact NH2-OE2 2.87Å; R10-E17 PolarHBondContact NH2-OE2 3.42Å |
| 11 | C | 89.3 | Confident | 93.6 | Very high | 108 Ų | 108 | 72.2 Ų | 72.2 | 73% | 0.73 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 166.8 | 168.9 | -165.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 12 | V | 91.6 | Very high | 93.7 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 40% | 0.4 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.3 | 179.5 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | T40 | V12-T40 HydrophobicContact CG2-CG2 3.98Å; V12-T40 WeakPolarHBondContact CG2-OG1 3.44Å |
| 13 | L | 92.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 145.1 | 176.4 | -76.9 | 70.1 | 0 | 0 | 0 | 110.8 | I5 H7 E17 I18 K21 | I5-L13 HydrophobicContact CG2-CD1 3.78Å; I5-L13 HydrophobicContact CG2-CD2 4.11Å; I5-L13 HydrophobicContact CG2-CG 4.44Å; H7-L13 HydrophobicContact CB-CD1 3.69Å; L13-E17 HydrophobicContact CD2-CG 4.27Å; L13-I18 HydrophobicContact CB-CD1 4.18Å; L13-I18 HydrophobicContact CB-CG1 3.91Å; L13-I18 HydrophobicContact CD2-CG1 4.5Å; L13-K21 HydrophobicContact CD2-CD 4.38Å |
| 14 | S | 93.6 | Very high | 93.6 | Very high | 66 Ų | 66 | 71.7 Ų | 71.7 | 46% | 0.462 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 150.8 | 172.2 | 78.6 | 0 | 0 | 0 | 0 | 110.7 | N16 E17 I18 | S14-N16 PolarHBondContact O-N 3.46Å; S14-E17 PolarHBondContact O-N 3.02Å; S14-E17 WeakPolarHBondContact OG-CB 3.44Å; S14-E17 PolarHBondContact OG-N 3.04Å; S14-E17 VanDerWaalsContact OG-N 3.13Å; S14-I18 WeakPolarHBondContact O-CG1 3.44Å; S14-I18 PolarHBondContact O-N 3.22Å |
| 15 | K | 93 | Very high | 93.6 | Very high | 100 Ų | 100 | 72.5 Ų | 72.5 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.3 | -28.7 | 176.7 | -69 | 176.9 | -174.5 | 163.7 | 0 | 112.8 | R19 | K15-R19 WeakPolarHBondContact O-CG 3.32Å; K15-R19 PolarHBondContact O-N 3.48Å |
| 16 | N | 93.5 | Very high | 93.6 | Very high | 96 Ų | 96 | 77.1 Ų | 77.1 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.7 | -45.4 | 175.9 | -67.5 | -11.4 | 0 | 0 | 0 | 110.8 | S14 I18 R19 E20 | S14-N16 PolarHBondContact O-N 3.46Å; N16-I18 VanDerWaalsContact C-N 3.28Å; N16-I18 PolarHBondContact O-N 3.42Å; N16-R19 WeakPolarHBondContact O-CB 3.44Å; N16-R19 PolarHBondContact O-N 3.46Å; N16-R19 VanDerWaalsContact O-N 3.13Å; N16-E20 WeakPolarHBondContact O-CG 3.21Å; N16-E20 PolarHBondContact O-N 3.09Å |
| 17 | E | 94.1 | Very high | 93.7 | Very high | 38 Ų | 38 | 80.3 Ų | 80.3 | 18% | 0.178 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 175.5 | -172.1 | -177.3 | 165.1 | 0 | 0 | 111.3 | R10 L13 S14 E20 K21 | R10-E17 IonicContact CZ-OE1 3.68Å; R10-E17 IonicContact CZ-OE2 3.68Å; R10-E17 IonicContact NH1-OE1 3.9Å; R10-E17 PolarHBondContact NH1-OE1 3.29Å; R10-E17 IonicContact NH1-OE2 3.16Å; R10-E17 IonicContact NH2-OE1 3.48Å; R10-E17 PolarHBondContact NH2-OE1 3Å; R10-E17 IonicContact NH2-OE2 2.87Å; R10-E17 PolarHBondContact NH2-OE2 3.42Å; L13-E17 HydrophobicContact CD2-CG 4.27Å; S14-E17 PolarHBondContact O-N 3.02Å; S14-E17 WeakPolarHBondContact OG-CB 3.44Å; S14-E17 PolarHBondContact OG-N 3.04Å; S14-E17 VanDerWaalsContact OG-N 3.13Å; E17-E20 PolarHBondContact O-N 3.43Å; E17-K21 HydrophobicContact CG-CD 4.43Å; E17-K21 WeakPolarHBondContact O-CB 3.38Å; E17-K21 WeakPolarHBondContact O-CG 3.5Å; E17-K21 PolarHBondContact O-N 3.3Å; E17-K21 WeakPolarHBondContact OE1-CE 3.17Å; E17-K21 IonicContact OE1-NZ 2.88Å; E17-K21 PolarHBondContact OE1-NZ 2.97Å |
| 18 | I | 94.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 82.3 Ų | 82.3 | 4% | 0.041 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 175.9 | -63.9 | 164.5 | 0 | 0 | 0 | 110.8 | I5 L13 S14 N16 K21 L22 A35 F38 | I5-I18 HydrophobicContact CD1-CD1 3.29Å; I5-I18 HydrophobicContact CD1-CG1 3.54Å; I5-I18 HydrophobicContact CD1-CG2 4.29Å; L13-I18 HydrophobicContact CB-CD1 4.18Å; L13-I18 HydrophobicContact CB-CG1 3.91Å; L13-I18 HydrophobicContact CD2-CG1 4.5Å; S14-I18 WeakPolarHBondContact O-CG1 3.44Å; S14-I18 PolarHBondContact O-N 3.22Å; N16-I18 VanDerWaalsContact C-N 3.28Å; N16-I18 PolarHBondContact O-N 3.42Å; I18-K21 PolarHBondContact O-N 2.89Å; I18-L22 HydrophobicContact CG2-CD1 3.78Å; I18-L22 HydrophobicContact CG2-CG 4.36Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 VanDerWaalsContact O-CG 3.28Å; I18-L22 WeakPolarHBondContact O-CG 3.32Å; I18-L22 PolarHBondContact O-N 2.84Å; I18-A35 HydrophobicContact CG2-CB 4.01Å; I18-F38 HydrophobicContact CD1-CD1 4.32Å; I18-F38 HydrophobicContact CD1-CD2 4.46Å; I18-F38 HydrophobicContact CD1-CE1 4.13Å; I18-F38 HydrophobicContact CD1-CE2 4.3Å; I18-F38 HydrophobicContact CD1-CG 4.49Å; I18-F38 HydrophobicContact CD1-CZ 4.11Å; I18-F38 HydrophobicContact CG2-CE2 4.42Å; I18-F38 HydrophobicContact CG2-CZ 3.92Å |
| 19 | R | 95 | Very high | 93.7 | Very high | 21 Ų | 21 | 79.9 Ų | 79.9 | 8% | 0.079 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 178.2 | -73.9 | 169.1 | 67.8 | -159 | -4 | 111.6 | K15 N16 L22 A23 P30 D31 V33 A35 N72 | K15-R19 WeakPolarHBondContact O-CG 3.32Å; K15-R19 PolarHBondContact O-N 3.48Å; N16-R19 WeakPolarHBondContact O-CB 3.44Å; N16-R19 PolarHBondContact O-N 3.46Å; N16-R19 VanDerWaalsContact O-N 3.13Å; R19-L22 PolarHBondContact O-N 2.92Å; R19-A23 WeakPolarHBondContact O-CB 3.49Å; R19-A23 PolarHBondContact O-N 3.13Å; R19-P30 PolarHBondContact NE-O 3.09Å; R19-P30 VanDerWaalsContact NE-O 3.14Å; R19-P30 PolarHBondContact NH2-O 2.76Å; R19-D31 IonicContact NH2-OD1 3.85Å; R19-V33 HydrophobicContact CB-CB 4.43Å; R19-V33 HydrophobicContact CB-CG1 4.43Å; R19-V33 HydrophobicContact CG-CB 4.41Å; R19-V33 HydrophobicContact CG-CG1 4.24Å; R19-V33 WeakPolarHBondContact CG-O 3.49Å; R19-V33 PolarHBondContact NE-O 2.95Å; R19-A35 HydrophobicContact CG-CB 3.99Å; R19-N72 VanDerWaalsContact CZ-ND2 3.34Å; R19-N72 PolarHBondContact NH1-OD1 3.45Å |
| 20 | E | 95.5 | Very high | 93.9 | Very high | 104 Ų | 104 | 77.6 Ų | 77.6 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 178.2 | -72.8 | 170.4 | -160.9 | 0 | 0 | 112.3 | N16 E17 A23 K24 | N16-E20 WeakPolarHBondContact O-CG 3.21Å; N16-E20 PolarHBondContact O-N 3.09Å; E17-E20 PolarHBondContact O-N 3.43Å; E20-A23 PolarHBondContact O-N 3.13Å; E20-K24 WeakPolarHBondContact O-CG 3.4Å; E20-K24 PolarHBondContact O-N 3.04Å |
| 21 | K | 95.3 | Very high | 94 | Very high | 103 Ų | 103 | 74.7 Ų | 74.7 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 177.2 | -74.5 | -178.3 | 179.8 | 175 | 0 | 111.6 | L13 E17 I18 A23 K24 T25 | L13-K21 HydrophobicContact CD2-CD 4.38Å; E17-K21 HydrophobicContact CG-CD 4.43Å; E17-K21 WeakPolarHBondContact O-CB 3.38Å; E17-K21 WeakPolarHBondContact O-CG 3.5Å; E17-K21 PolarHBondContact O-N 3.3Å; E17-K21 WeakPolarHBondContact OE1-CE 3.17Å; E17-K21 IonicContact OE1-NZ 2.88Å; E17-K21 PolarHBondContact OE1-NZ 2.97Å; I18-K21 PolarHBondContact O-N 2.89Å; K21-A23 VanDerWaalsContact C-N 3.35Å; K21-A23 PolarHBondContact O-N 3.17Å; K21-K24 PolarHBondContact O-N 3.22Å; K21-T25 PolarHBondContact O-N 2.86Å; K21-T25 PolarHBondContact O-OG1 3.13Å; K21-T25 VanDerWaalsContact O-OG1 3.09Å |
| 22 | L | 95.8 | Very high | 94.3 | Very high | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 177.2 | -71.3 | 173.1 | 0 | 0 | 0 | 111.9 | M1 V3 I18 R19 K24 T25 Y26 V33 A51 | M1-L22 HydrophobicContact CE-CD2 4.35Å; V3-L22 HydrophobicContact CG2-CD1 4.24Å; V3-L22 HydrophobicContact CG2-CD2 4.45Å; I18-L22 HydrophobicContact CG2-CD1 3.78Å; I18-L22 HydrophobicContact CG2-CG 4.36Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 VanDerWaalsContact O-CG 3.28Å; I18-L22 WeakPolarHBondContact O-CG 3.32Å; I18-L22 PolarHBondContact O-N 2.84Å; R19-L22 PolarHBondContact O-N 2.92Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 2.77Å; L22-T25 PolarHBondContact O-N 2.93Å; L22-Y26 HydrophobicContact CD2-CE2 4.14Å; L22-Y26 VanDerWaalsContact O-CD2 3.32Å; L22-Y26 WeakPolarHBondContact O-CD2 3.47Å; L22-Y26 PolarHBondContact O-N 3.02Å; L22-V33 HydrophobicContact CB-CG1 3.89Å; L22-V33 HydrophobicContact CD1-CG1 3.97Å; L22-A51 HydrophobicContact CD1-CB 3.53Å |
| 23 | A | 95.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.033 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R19 E20 K21 K27 T28 P30 V33 | R19-A23 WeakPolarHBondContact O-CB 3.49Å; R19-A23 PolarHBondContact O-N 3.13Å; E20-A23 PolarHBondContact O-N 3.13Å; K21-A23 VanDerWaalsContact C-N 3.35Å; K21-A23 PolarHBondContact O-N 3.17Å; A23-K27 WeakPolarHBondContact O-CA 3.44Å; A23-K27 PolarHBondContact O-N 3.34Å; A23-T28 CarbonylContact C-O 3.47Å; A23-T28 WeakPolarHBondContact CB-O 3.28Å; A23-T28 PolarHBondContact O-N 2.81Å; A23-P30 HydrophobicContact CB-CB 4.22Å; A23-V33 HydrophobicContact CB-CG2 4.08Å |
| 24 | K | 96 | Very high | 94.6 | Very high | 163 Ų | 163 | 66.1 Ų | 66.1 | 71% | 0.709 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.8 | -46.7 | 173.8 | -70.7 | 175.2 | -177 | -178.3 | 0 | 112.1 | E20 K21 L22 Y26 K27 | E20-K24 WeakPolarHBondContact O-CG 3.4Å; E20-K24 PolarHBondContact O-N 3.04Å; K21-K24 PolarHBondContact O-N 3.22Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 2.77Å; K24-Y26 PolarHBondContact O-N 3.36Å; K24-K27 PolarHBondContact O-N 3.42Å |
| 25 | T | 95.5 | Very high | 94.7 | Very high | 103 Ų | 103 | 63.6 Ų | 63.6 | 63% | 0.632 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | -179.8 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | K21 L22 K27 | K21-T25 PolarHBondContact O-N 2.86Å; K21-T25 PolarHBondContact O-OG1 3.13Å; K21-T25 VanDerWaalsContact O-OG1 3.09Å; L22-T25 PolarHBondContact O-N 2.93Å; T25-K27 VanDerWaalsContact C-N 3.33Å |
| 26 | Y | 95.4 | Very high | 94.7 | Very high | 119 Ų | 119 | 61.2 Ų | 61.2 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -90.3 | 5.5 | -177.8 | -71 | -75.4 | 0 | 0 | 0 | 113.6 | M1 L22 K24 T28 V53 | M1-Y26 HydrophobicContact CE-CD2 4.02Å; M1-Y26 HydrophobicContact CE-CE2 3.41Å; M1-Y26 VanDerWaalsContact CE-CE2 3.41Å; M1-Y26 HydrophobicContact SD-CE2 3.66Å; M1-Y26 PolarHBondContact SD-OH 2.97Å; L22-Y26 HydrophobicContact CD2-CE2 4.14Å; L22-Y26 VanDerWaalsContact O-CD2 3.32Å; L22-Y26 WeakPolarHBondContact O-CD2 3.47Å; L22-Y26 PolarHBondContact O-N 3.02Å; K24-Y26 PolarHBondContact O-N 3.36Å; Y26-T28 PolarHBondContact O-N 2.88Å; Y26-V53 HydrophobicContact CD2-CG2 4.19Å; Y26-V53 HydrophobicContact CG-CG2 4.49Å |
| 27 | K | 94.8 | Very high | 94.8 | Very high | 198 Ų | 198 | 58.8 Ų | 58.8 | 86% | 0.861 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 40.3 | -178.3 | -55.6 | 177.2 | -179.4 | 177.5 | 0 | 112.7 | A23 K24 T25 | A23-K27 WeakPolarHBondContact O-CA 3.44Å; A23-K27 PolarHBondContact O-N 3.34Å; K24-K27 PolarHBondContact O-N 3.42Å; T25-K27 VanDerWaalsContact C-N 3.33Å |
| 28 | T | 94 | Very high | 94.9 | Very high | 50 Ų | 50 | 58.9 Ų | 58.9 | 31% | 0.307 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -119 | 176.9 | 178.2 | 56.6 | 0 | 0 | 0 | 0 | 111.3 | A23 Y26 V32 V53 | A23-T28 CarbonylContact C-O 3.47Å; A23-T28 WeakPolarHBondContact CB-O 3.28Å; A23-T28 PolarHBondContact O-N 2.81Å; Y26-T28 PolarHBondContact O-N 2.88Å; T28-V32 HydrophobicContact CG2-CG2 4.35Å; T28-V53 HydrophobicContact CG2-CG1 3.99Å |
| 29 | S | 93.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | trans | -85.9 | 149.4 | 171.8 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | D31 V32 | S29-D31 PolarHBondContact O-N 3.49Å; S29-D31 VanDerWaalsContact O-N 3.09Å; S29-V32 WeakPolarHBondContact O-CG2 3.4Å; S29-V32 PolarHBondContact O-N 3.21Å | ||
| 30 | P | 93.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 70.3 Ų | 70.3 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -61.6 | -20.6 | 178.4 | 24.7 | -34.3 | 0 | 0 | 0 | 113.4 | R19 A23 V32 V33 | R19-P30 PolarHBondContact NE-O 3.09Å; R19-P30 VanDerWaalsContact NE-O 3.14Å; R19-P30 PolarHBondContact NH2-O 2.76Å; A23-P30 HydrophobicContact CB-CB 4.22Å; P30-V32 VanDerWaalsContact C-N 3.33Å; P30-V32 PolarHBondContact O-N 3.14Å; P30-V33 PolarHBondContact O-N 3.29Å |
| 31 | D | 92.2 | Very high | 94.8 | Very high | 77 Ų | 77 | 70.9 Ų | 70.9 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -71.2 | -25.7 | -179.9 | -62.5 | -37.7 | 0 | 0 | 0 | 113.8 | R19 S29 F34 L57 | R19-D31 IonicContact NH2-OD1 3.85Å; S29-D31 PolarHBondContact O-N 3.49Å; S29-D31 VanDerWaalsContact O-N 3.09Å; D31-F34 WeakPolarHBondContact O-CE2 3.13Å; D31-L57 HydrophobicContact CB-CD1 4.01Å |
| 32 | V | 94.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 75.9 Ų | 75.9 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -91.7 | 1.1 | 175.4 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | T28 S29 P30 Y54 L57 | T28-V32 HydrophobicContact CG2-CG2 4.35Å; S29-V32 WeakPolarHBondContact O-CG2 3.4Å; S29-V32 PolarHBondContact O-N 3.21Å; P30-V32 VanDerWaalsContact C-N 3.33Å; P30-V32 PolarHBondContact O-N 3.14Å; V32-Y54 WeakPolarHBondContact CB-O 3.41Å; V32-Y54 WeakPolarHBondContact CG2-O 3.18Å; V32-Y54 PolarHBondContact O-N 3.17Å; V32-L57 HydrophobicContact CG1-CB 4.42Å |
| 33 | V | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.4 | 178.6 | -174.1 | 0 | 0 | 0 | 0 | 111 | R19 L22 A23 P30 L52 V53 | R19-V33 HydrophobicContact CB-CB 4.43Å; R19-V33 HydrophobicContact CB-CG1 4.43Å; R19-V33 HydrophobicContact CG-CB 4.41Å; R19-V33 HydrophobicContact CG-CG1 4.24Å; R19-V33 WeakPolarHBondContact CG-O 3.49Å; R19-V33 PolarHBondContact NE-O 2.95Å; L22-V33 HydrophobicContact CB-CG1 3.89Å; L22-V33 HydrophobicContact CD1-CG1 3.97Å; A23-V33 HydrophobicContact CB-CG2 4.08Å; P30-V33 PolarHBondContact O-N 3.29Å; V33-L52 WeakPolarHBondContact CA-O 3.48Å; V33-V53 HydrophobicContact CG1-CG2 4.35Å; V33-V53 HydrophobicContact CG2-CG2 4.22Å |
| 34 | F | 95.2 | Very high | 94.3 | Very high | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.018 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 102.7 | -180 | -72.1 | -98.4 | 0 | 0 | 0 | 110.9 | D31 A51 L52 Y54 A60 E64 R68 L69 N72 L74 | D31-F34 WeakPolarHBondContact O-CE2 3.13Å; F34-A51 CarbonylContact O-C 3.59Å; F34-A51 VanDerWaalsContact O-CA 3.28Å; F34-A51 WeakPolarHBondContact O-CA 3.48Å; F34-L52 HydrophobicContact CB-CB 4.44Å; F34-L52 PolarHBondContact N-O 2.86Å; F34-L52 PolarHBondContact O-N 2.82Å; F34-Y54 AromaticContact CD2-CD2 3.83Å; F34-Y54 HydrophobicContact CD2-CD2 3.83Å; F34-Y54 AromaticContact CD2-CE2 3.85Å; F34-Y54 HydrophobicContact CD2-CE2 3.85Å; F34-Y54 HydrophobicContact CE2-CD2 4.14Å; F34-Y54 HydrophobicContact CE2-CE2 4.33Å; F34-Y54 HydrophobicContact CG-CE2 4.5Å; F34-A60 HydrophobicContact CE2-CB 3.64Å; F34-A60 HydrophobicContact CZ-CB 4.15Å; F34-E64 VanDerWaalsContact CB-OE1 3.3Å; F34-E64 WeakPolarHBondContact CB-OE1 3.48Å; F34-E64 HydrophobicContact CD1-CG 3.88Å; F34-E64 HydrophobicContact CD2-CG 4.11Å; F34-E64 HydrophobicContact CE1-CB 4.45Å; F34-E64 HydrophobicContact CE1-CG 3.97Å; F34-E64 HydrophobicContact CE2-CG 4.22Å; F34-E64 HydrophobicContact CG-CG 3.95Å; F34-E64 WeakPolarHBondContact CG-OE1 3.34Å; F34-E64 HydrophobicContact CZ-CG 4.13Å; F34-R68 HydrophobicContact CD1-CB 4.28Å; F34-L69 HydrophobicContact CE1-CD2 3.94Å; F34-L69 HydrophobicContact CZ-CD2 3.81Å; F34-N72 VanDerWaalsContact CD1-ND2 3.35Å; F34-N72 WeakPolarHBondContact CD1-ND2 3.14Å; F34-N72 HydrophobicContact CE1-CB 4.36Å; F34-N72 WeakPolarHBondContact CE1-ND2 3.49Å; F34-L74 HydrophobicContact CE1-CD1 4.38Å; F34-L74 HydrophobicContact CZ-CD1 3.71Å |
| 35 | A | 95 | Very high | 94.1 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | I18 R19 F38 | I18-A35 HydrophobicContact CG2-CB 4.01Å; R19-A35 HydrophobicContact CG-CB 3.99Å; A35-F38 HydrophobicContact CB-CE2 3.75Å; A35-F38 HydrophobicContact CB-CZ 4.44Å |
| 36 | Y | 94.7 | Very high | 94 | Very high | 51 Ų | 51 | 71.6 Ų | 71.6 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 169.1 | -178.2 | 66.2 | -89.6 | 0 | 0 | 0 | 113.3 | F38 F50 L52 R68 | Y36-F38 PolarHBondContact O-N 3.01Å; Y36-F50 HydrophobicContact CD1-CB 4.4Å; Y36-F50 HydrophobicContact CD2-CB 3.99Å; Y36-F50 HydrophobicContact CD2-CD2 4.43Å; Y36-F50 HydrophobicContact CE1-CB 3.99Å; Y36-F50 HydrophobicContact CE2-CB 3.53Å; Y36-F50 HydrophobicContact CE2-CD2 4.05Å; Y36-F50 AromaticContact CE2-CG 3.99Å; Y36-F50 HydrophobicContact CE2-CG 3.99Å; Y36-F50 HydrophobicContact CG-CB 4.41Å; Y36-F50 PolarHBondContact N-O 3.01Å; Y36-F50 PolarHBondContact O-N 3.48Å; Y36-L52 HydrophobicContact CE1-CD1 3.75Å; Y36-L52 HydrophobicContact CE1-CG 3.86Å; Y36-R68 VanDerWaalsContact CG-NH2 3.3Å |
| 37 | G | 94.8 | Very high | 94.1 | Very high | 45 Ų | 45 | 66 Ų | 66 | 46% | 0.464 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.5 | 10.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | R39 | G37-R39 PolarHBondContact O-N 3.22Å |
| 38 | F | 95.7 | Very high | 94.2 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 126.9 | 179.1 | -72.4 | -86.4 | 0 | 0 | 0 | 112.2 | V3 I5 I18 A35 Y36 T48 | V3-F38 HydrophobicContact CB-CE1 4.11Å; V3-F38 HydrophobicContact CB-CZ 4.01Å; V3-F38 HydrophobicContact CG1-CE1 4.14Å; V3-F38 HydrophobicContact CG1-CZ 4.16Å; I5-F38 HydrophobicContact CD1-CD1 3.84Å; I5-F38 HydrophobicContact CD1-CE1 3.34Å; I5-F38 HydrophobicContact CD1-CZ 4.13Å; I5-F38 HydrophobicContact CG1-CE1 4.01Å; I18-F38 HydrophobicContact CD1-CD1 4.32Å; I18-F38 HydrophobicContact CD1-CD2 4.46Å; I18-F38 HydrophobicContact CD1-CE1 4.13Å; I18-F38 HydrophobicContact CD1-CE2 4.3Å; I18-F38 HydrophobicContact CD1-CG 4.49Å; I18-F38 HydrophobicContact CD1-CZ 4.11Å; I18-F38 HydrophobicContact CG2-CE2 4.42Å; I18-F38 HydrophobicContact CG2-CZ 3.92Å; A35-F38 HydrophobicContact CB-CE2 3.75Å; A35-F38 HydrophobicContact CB-CZ 4.44Å; Y36-F38 PolarHBondContact O-N 3.01Å; F38-T48 CarbonylContact C-O 3.56Å; F38-T48 VanDerWaalsContact CA-O 3.24Å; F38-T48 WeakPolarHBondContact CA-O 3.46Å |
| 39 | R | 94.9 | Very high | 94.3 | Very high | 203 Ų | 203 | 57.1 Ų | 57.1 | 77% | 0.766 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 133.2 | 169.8 | -68 | -171.8 | 174.7 | -166.8 | -1.2 | 108.8 | G37 S47 T48 | G37-R39 PolarHBondContact O-N 3.22Å; R39-S47 CarbonylContact O-C 3.51Å; R39-S47 WeakPolarHBondContact O-CA 3.46Å; R39-T48 PolarHBondContact N-O 2.84Å; R39-T48 PolarHBondContact O-N 2.84Å |
| 40 | T | 94.9 | Very high | 94.5 | Very high | 66 Ų | 66 | 59.1 Ų | 59.1 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.4 | 175.6 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | V12 S47 | V12-T40 HydrophobicContact CG2-CG2 3.98Å; V12-T40 WeakPolarHBondContact CG2-OG1 3.44Å; T40-S47 WeakPolarHBondContact CA-OG 3.2Å; T40-S47 WeakPolarHBondContact CB-OG 3.24Å; T40-S47 PolarHBondContact OG1-OG 2.96Å |
| 41 | Q | 93.7 | Very high | 94.6 | Very high | 116 Ų | 116 | 56.8 Ų | 56.8 | 54% | 0.542 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 146.2 | 174.8 | -173.5 | 170.1 | -10.8 | 0 | 0 | 110.1 | G43 G44 K46 | Q41-G43 PolarHBondContact O-N 3.49Å; Q41-G44 PolarHBondContact O-N 2.89Å; Q41-K46 HydrophobicContact CB-CB 4.28Å; Q41-K46 WeakPolarHBondContact CB-O 3.33Å; Q41-K46 PolarHBondContact N-O 2.95Å |
| 42 | F | 93.3 | Very high | 94.8 | Very high | 208 Ų | 208 | 55.8 Ų | 55.8 | 91% | 0.912 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 135.5 | 172.9 | -176.8 | -98.6 | 0 | 0 | 0 | 110.2 | G44 | F42-G44 VanDerWaalsContact C-N 3.29Š|
| 43 | G | 91.2 | Very high | 94.8 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 81% | 0.814 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -7.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115 | Q41 | Q41-G43 PolarHBondContact O-N 3.49Š|
| 44 | G | 91.5 | Very high | 94.8 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 79.7 | -164.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q41 F42 K46 | Q41-G44 PolarHBondContact O-N 2.89Å; F42-G44 VanDerWaalsContact C-N 3.29Å; G44-K46 PolarHBondContact O-N 2.93Å |
| 45 | G | 92 | Very high | 94.7 | Very high | 31 Ų | 31 | 66.5 Ų | 66.5 | 32% | 0.32 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 77.4 | -23.4 | 176 | 0 | 0 | 0 | 0 | 0 | 116.6 | H7 | H7-G45 CarbonylContact C-O 3.56Å; H7-G45 PolarHBondContact N-O 2.79Å |
| 46 | K | 95.1 | Very high | 94.7 | Very high | 58 Ų | 58 | 67.7 Ų | 67.7 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 140 | 173.7 | -174.9 | 173 | -178.1 | 178.8 | 0 | 111.3 | D4 I5 L6 Q41 G44 T48 | D4-K46 VanDerWaalsContact CG-CE 3.49Å; D4-K46 WeakPolarHBondContact OD2-CE 3.09Å; D4-K46 IonicContact OD2-NZ 3.65Å; D4-K46 PolarHBondContact OD2-NZ 2.83Å; I5-K46 CarbonylContact O-C 3.57Å; I5-K46 WeakPolarHBondContact O-CA 3.5Å; L6-K46 HydrophobicContact CD2-CB 4.25Å; L6-K46 HydrophobicContact CD2-CD 4.07Å; L6-K46 HydrophobicContact CD2-CG 4.02Å; Q41-K46 HydrophobicContact CB-CB 4.28Å; Q41-K46 WeakPolarHBondContact CB-O 3.33Å; Q41-K46 PolarHBondContact N-O 2.95Å; G44-K46 PolarHBondContact O-N 2.93Å; K46-T48 HydrophobicContact CD-CG2 4.38Å; K46-T48 HydrophobicContact CG-CG2 4.29Å |
| 47 | S | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.9 | 167.6 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | I5 H7 R39 T40 | I5-S47 PolarHBondContact N-O 3.33Å; I5-S47 PolarHBondContact O-N 3.48Å; H7-S47 WeakPolarHBondContact NE2-CB 3.37Å; H7-S47 PolarHBondContact NE2-N 3.48Å; H7-S47 PolarHBondContact NE2-OG 3.02Å; R39-S47 CarbonylContact O-C 3.51Å; R39-S47 WeakPolarHBondContact O-CA 3.46Å; T40-S47 WeakPolarHBondContact CA-OG 3.2Å; T40-S47 WeakPolarHBondContact CB-OG 3.24Å; T40-S47 PolarHBondContact OG1-OG 2.96Å |
| 48 | T | 96.9 | Very high | 94.5 | Very high | 59 Ų | 59 | 71.4 Ų | 71.4 | 36% | 0.362 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.2 | -179.7 | 66.2 | 0 | 0 | 0 | 0 | 109.8 | V3 D4 F38 R39 K46 | V3-T48 WeakPolarHBondContact O-CA 3.35Å; D4-T48 WeakPolarHBondContact OD1-CB 3.43Å; D4-T48 WeakPolarHBondContact OD1-CG2 3.28Å; F38-T48 CarbonylContact C-O 3.56Å; F38-T48 VanDerWaalsContact CA-O 3.24Å; F38-T48 WeakPolarHBondContact CA-O 3.46Å; R39-T48 PolarHBondContact N-O 2.84Å; R39-T48 PolarHBondContact O-N 2.84Å; K46-T48 HydrophobicContact CD-CG2 4.38Å; K46-T48 HydrophobicContact CG-CG2 4.29Å |
| 49 | G | 96.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 73.3 Ų | 73.3 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | -163.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V2 V3 | V2-G49 WeakPolarHBondContact CA-O 3.3Å; V3-G49 PolarHBondContact N-O 2.96Å; V3-G49 PolarHBondContact O-N 2.94Å |
| 50 | F | 97 | Very high | 94.4 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.3 | -179.1 | -60.8 | -83.7 | 0 | 0 | 0 | 110.4 | M1 V2 Y36 | M1-F50 WeakPolarHBondContact O-CA 3.42Å; V2-F50 HydrophobicContact CG2-CD1 4.23Å; V2-F50 HydrophobicContact CG2-CE1 3.93Å; Y36-F50 HydrophobicContact CD1-CB 4.4Å; Y36-F50 HydrophobicContact CD2-CB 3.99Å; Y36-F50 HydrophobicContact CD2-CD2 4.43Å; Y36-F50 HydrophobicContact CE1-CB 3.99Å; Y36-F50 HydrophobicContact CE2-CB 3.53Å; Y36-F50 HydrophobicContact CE2-CD2 4.05Å; Y36-F50 AromaticContact CE2-CG 3.99Å; Y36-F50 HydrophobicContact CE2-CG 3.99Å; Y36-F50 HydrophobicContact CG-CB 4.41Å; Y36-F50 PolarHBondContact N-O 3.01Å; Y36-F50 PolarHBondContact O-N 3.48Å |
| 51 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 V3 L22 F34 | M1-A51 HydrophobicContact CE-CB 3.96Å; M1-A51 HydrophobicContact CG-CB 4.23Å; M1-A51 PolarHBondContact N-O 3.09Å; M1-A51 PolarHBondContact O-N 2.79Å; V3-A51 HydrophobicContact CG2-CB 3.49Å; V3-A51 VanDerWaalsContact CG2-CB 3.49Å; L22-A51 HydrophobicContact CD1-CB 3.53Å; F34-A51 CarbonylContact O-C 3.59Å; F34-A51 VanDerWaalsContact O-CA 3.28Å; F34-A51 WeakPolarHBondContact O-CA 3.48Å |
| 52 | L | 95.7 | Very high | 94.3 | Very high | 56 Ų | 56 | 66.9 Ų | 66.9 | 29% | 0.293 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.3 | 167.8 | -64.2 | 169 | 0 | 0 | 0 | 108 | V33 F34 Y36 Y54 E64 | V33-L52 WeakPolarHBondContact CA-O 3.48Å; F34-L52 HydrophobicContact CB-CB 4.44Å; F34-L52 PolarHBondContact N-O 2.86Å; F34-L52 PolarHBondContact O-N 2.82Å; Y36-L52 HydrophobicContact CE1-CD1 3.75Å; Y36-L52 HydrophobicContact CE1-CG 3.86Å; L52-Y54 HydrophobicContact CB-CE2 4.03Å; L52-E64 WeakPolarHBondContact CD1-OE1 3.39Å |
| 53 | V | 95.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.6 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 105.5 | M1 Y26 T28 V33 | M1-V53 HydrophobicContact CE-CG2 3.39Å; Y26-V53 HydrophobicContact CD2-CG2 4.19Å; Y26-V53 HydrophobicContact CG-CG2 4.49Å; T28-V53 HydrophobicContact CG2-CG1 3.99Å; V33-V53 HydrophobicContact CG1-CG2 4.35Å; V33-V53 HydrophobicContact CG2-CG2 4.22Å |
| 54 | Y | 95.6 | Very high | 94.4 | Very high | 38 Ų | 38 | 60.1 Ų | 60.1 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | trans | -98.5 | 152.5 | 177.3 | -69.5 | -85.3 | 0 | 0 | 0 | 110.4 | V32 F34 L52 S56 H59 A60 F63 E64 | V32-Y54 WeakPolarHBondContact CB-O 3.41Å; V32-Y54 WeakPolarHBondContact CG2-O 3.18Å; V32-Y54 PolarHBondContact O-N 3.17Å; F34-Y54 AromaticContact CD2-CD2 3.83Å; F34-Y54 HydrophobicContact CD2-CD2 3.83Å; F34-Y54 AromaticContact CD2-CE2 3.85Å; F34-Y54 HydrophobicContact CD2-CE2 3.85Å; F34-Y54 HydrophobicContact CE2-CD2 4.14Å; F34-Y54 HydrophobicContact CE2-CE2 4.33Å; F34-Y54 HydrophobicContact CG-CE2 4.5Å; L52-Y54 HydrophobicContact CB-CE2 4.03Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-H59 HydrophobicContact CD1-CB 4.16Å; Y54-A60 HydrophobicContact CD1-CB 4.44Å; Y54-A60 HydrophobicContact CD2-CB 3.64Å; Y54-A60 HydrophobicContact CE2-CB 4.19Å; Y54-A60 HydrophobicContact CG-CB 3.79Å; Y54-F63 HydrophobicContact CE1-CB 4.02Å; Y54-F63 HydrophobicContact CE1-CD2 4.33Å; Y54-E64 HydrophobicContact CE2-CG 3.56Å; Y54-E64 WeakPolarHBondContact OH-CG 3.24Å; Y54-E64 PolarHBondContact OH-OE1 3.41Å | ||
| 55 | D | 93.3 | Very high | 94.5 | Very high | 152 Ų | 152 | 63.5 Ų | 63.5 | 81% | 0.813 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -70.2 | -33.1 | 175 | -52 | -42.7 | 0 | 0 | 0 | 111.9 | ||
| 56 | S | 93.4 | Very high | 94.5 | Very high | 37 Ų | 37 | 69.8 Ų | 69.8 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -141.8 | 155.7 | -177.6 | 79.8 | 0 | 0 | 0 | 0 | 112.3 | Y54 D58 H59 A60 | Y54-S56 VanDerWaalsContact C-N 3.33Å; S56-D58 PolarHBondContact O-N 3.38Å; S56-H59 PolarHBondContact O-N 3.43Å; S56-H59 VanDerWaalsContact OG-CG 3.27Å; S56-H59 PolarHBondContact OG-N 3.02Å; S56-H59 VanDerWaalsContact OG-N 3.16Å; S56-A60 PolarHBondContact O-N 3.17Å; S56-A60 VanDerWaalsContact O-N 3.09Å |
| 57 | L | 92.4 | Very high | 94.3 | Very high | 63 Ų | 63 | 72.1 Ų | 72.1 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -28.1 | 175.4 | -167.6 | 71.5 | 0 | 0 | 0 | 112.1 | D31 V32 A60 K61 L74 | D31-L57 HydrophobicContact CB-CD1 4.01Å; V32-L57 HydrophobicContact CG1-CB 4.42Å; L57-A60 PolarHBondContact O-N 3.16Å; L57-K61 WeakPolarHBondContact O-CG 3.47Å; L57-K61 PolarHBondContact O-N 3.41Å; L57-L74 HydrophobicContact CD1-CD1 3.97Å; L57-L74 HydrophobicContact CD1-CD2 4.09Å |
| 58 | D | 93.9 | Very high | 94.2 | Very high | 111 Ų | 111 | 73.4 Ų | 73.4 | 59% | 0.594 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.8 | -46.7 | 177.1 | -172.5 | 68.8 | 0 | 0 | 0 | 111.2 | S56 A60 K61 K62 | S56-D58 PolarHBondContact O-N 3.38Å; D58-A60 VanDerWaalsContact C-N 3.31Å; D58-A60 PolarHBondContact O-N 3.48Å; D58-K61 PolarHBondContact O-N 3.19Å; D58-K61 VanDerWaalsContact O-N 3.17Å; D58-K62 WeakPolarHBondContact O-CB 3.37Å; D58-K62 PolarHBondContact O-N 3Å |
| 59 | H | 93.8 | Very high | 94 | Very high | 79 Ų | 79 | 70.9 Ų | 70.9 | 37% | 0.366 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 173.5 | -67 | 175 | 0 | 0 | 0 | 110.9 | Y54 S56 K61 K62 F63 | Y54-H59 HydrophobicContact CD1-CB 4.16Å; S56-H59 PolarHBondContact O-N 3.43Å; S56-H59 VanDerWaalsContact OG-CG 3.27Å; S56-H59 PolarHBondContact OG-N 3.02Å; S56-H59 VanDerWaalsContact OG-N 3.16Å; H59-K61 VanDerWaalsContact C-N 3.35Å; H59-K61 PolarHBondContact O-N 3.39Å; H59-K62 PolarHBondContact O-N 3.28Å; H59-F63 HydrophobicContact CB-CD2 4.27Å; H59-F63 HydrophobicContact CB-CE2 4.37Å; H59-F63 WeakPolarHBondContact O-CD2 3.34Å; H59-F63 PolarHBondContact O-N 3.17Å |
| 60 | A | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.4 | -47.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F34 Y54 S56 L57 D58 K62 E64 | F34-A60 HydrophobicContact CE2-CB 3.64Å; F34-A60 HydrophobicContact CZ-CB 4.15Å; Y54-A60 HydrophobicContact CD1-CB 4.44Å; Y54-A60 HydrophobicContact CD2-CB 3.64Å; Y54-A60 HydrophobicContact CE2-CB 4.19Å; Y54-A60 HydrophobicContact CG-CB 3.79Å; S56-A60 PolarHBondContact O-N 3.17Å; S56-A60 VanDerWaalsContact O-N 3.09Å; L57-A60 PolarHBondContact O-N 3.16Å; D58-A60 VanDerWaalsContact C-N 3.31Å; D58-A60 PolarHBondContact O-N 3.48Å; A60-K62 VanDerWaalsContact C-N 3.31Å; A60-K62 PolarHBondContact O-N 3.04Å; A60-E64 WeakPolarHBondContact O-CB 3.34Å; A60-E64 PolarHBondContact O-N 2.83Å |
| 61 | K | 93.3 | Very high | 93.5 | Very high | 97 Ų | 97 | 74.4 Ų | 74.4 | 42% | 0.422 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.9 | -32.7 | 178.9 | -75.9 | 176.1 | 179.5 | 176.5 | 0 | 113.4 | L57 D58 H59 L69 | L57-K61 WeakPolarHBondContact O-CG 3.47Å; L57-K61 PolarHBondContact O-N 3.41Å; D58-K61 PolarHBondContact O-N 3.19Å; D58-K61 VanDerWaalsContact O-N 3.17Å; H59-K61 VanDerWaalsContact C-N 3.35Å; H59-K61 PolarHBondContact O-N 3.39Å; K61-L69 HydrophobicContact CG-CD2 4.34Å |
| 62 | K | 94.1 | Very high | 93.2 | Very high | 154 Ų | 154 | 76 Ų | 76 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -73.4 | -42.1 | -180 | -174 | 175.3 | -179 | 177.4 | 0 | 112.6 | D58 H59 A60 | D58-K62 WeakPolarHBondContact O-CB 3.37Å; D58-K62 PolarHBondContact O-N 3Å; H59-K62 PolarHBondContact O-N 3.28Å; A60-K62 VanDerWaalsContact C-N 3.31Å; A60-K62 PolarHBondContact O-N 3.04Å |
| 63 | F | 94.2 | Very high | 92.9 | Very high | 133 Ų | 133 | 82.7 Ų | 82.7 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -100.3 | -27.7 | -171.3 | -63.2 | -65.6 | 0 | 0 | 0 | 114.2 | Y54 H59 | Y54-F63 HydrophobicContact CE1-CB 4.02Å; Y54-F63 HydrophobicContact CE1-CD2 4.33Å; H59-F63 HydrophobicContact CB-CD2 4.27Å; H59-F63 HydrophobicContact CB-CE2 4.37Å; H59-F63 WeakPolarHBondContact O-CD2 3.34Å; H59-F63 PolarHBondContact O-N 3.17Å |
| 64 | E | 92.7 | Very high | 92.6 | Very high | 12 Ų | 12 | 82.3 Ų | 82.3 | 6% | 0.056 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -72 | 150.5 | -179.5 | -81.5 | -71 | 178.7 | 0 | 0 | 113.2 | F34 L52 Y54 A60 K66 R68 L69 | F34-E64 VanDerWaalsContact CB-OE1 3.3Å; F34-E64 WeakPolarHBondContact CB-OE1 3.48Å; F34-E64 HydrophobicContact CD1-CG 3.88Å; F34-E64 HydrophobicContact CD2-CG 4.11Å; F34-E64 HydrophobicContact CE1-CB 4.45Å; F34-E64 HydrophobicContact CE1-CG 3.97Å; F34-E64 HydrophobicContact CE2-CG 4.22Å; F34-E64 HydrophobicContact CG-CG 3.95Å; F34-E64 WeakPolarHBondContact CG-OE1 3.34Å; F34-E64 HydrophobicContact CZ-CG 4.13Å; L52-E64 WeakPolarHBondContact CD1-OE1 3.39Å; Y54-E64 HydrophobicContact CE2-CG 3.56Å; Y54-E64 WeakPolarHBondContact OH-CG 3.24Å; Y54-E64 PolarHBondContact OH-OE1 3.41Å; A60-E64 WeakPolarHBondContact O-CB 3.34Å; A60-E64 PolarHBondContact O-N 2.83Å; E64-K66 PolarHBondContact O-N 3.34Å; E64-R68 IonicContact OE1-NH1 2.92Å; E64-R68 WeakPolarHBondContact OE2-CD 3.16Å; E64-R68 IonicContact OE2-CZ 2.79Å; E64-R68 IonicContact OE2-NE 3.6Å; E64-R68 IonicContact OE2-NH1 3.79Å; E64-R68 PolarHBondContact OE2-NH1 3.43Å; E64-R68 VanDerWaalsContact OE2-NH1 3.16Å; E64-L69 HydrophobicContact CB-CD2 3.9Å; E64-L69 HydrophobicContact CB-CG 4.04Å |
| 65 | M | 92.5 | Very high | 92.2 | Very high | 104 Ų | 104 | 83.2 Ų | 83.2 | 51% | 0.512 | 39% | 0.394 | S | S | . | . | trans | -67.9 | 134.6 | 175.6 | -55.5 | 174.8 | 93.2 | 0 | 0 | 109.9 | Y67 R68 L69 | M65-Y67 HydrophobicContact CB-CD1 3.67Å; M65-Y67 HydrophobicContact CB-CE1 3.33Å; M65-Y67 HydrophobicContact CE-CE1 3.76Å; M65-Y67 HydrophobicContact CG-CE1 3.96Å; M65-Y67 PolarHBondContact O-N 2.98Å; M65-Y67 HydrophobicContact SD-CE1 3.42Å; M65-Y67 WeakPolarHBondContact SD-CE1 2.94Å; M65-Y67 PolarHBondContact SD-OH 3.39Å; M65-R68 HydrophobicContact CB-CG 4.46Å; M65-R68 WeakPolarHBondContact O-CB 3.46Å; M65-R68 PolarHBondContact O-N 3.32Å; M65-L69 PolarHBondContact O-N 3.16Å | ||
| 66 | K | 92.2 | Very high | 92 | Very high | 163 Ų | 163 | 82.4 Ų | 82.4 | 71% | 0.709 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -50.4 | -36.4 | -175.6 | -64.7 | -174.3 | 179.9 | -177.4 | 0 | 114.8 | E64 R68 L69 A70 | E64-K66 PolarHBondContact O-N 3.34Å; K66-R68 VanDerWaalsContact C-N 3.31Å; K66-R68 PolarHBondContact O-N 2.9Å; K66-L69 PolarHBondContact O-N 2.85Å; K66-A70 WeakPolarHBondContact O-CB 3.36Å; K66-A70 PolarHBondContact O-N 3.17Å |
| 67 | Y | 92.3 | Very high | 91.5 | Very high | 106 Ų | 106 | 84.5 Ų | 84.5 | 42% | 0.416 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69 | -28 | 179 | 73.8 | -89.3 | 0 | 0 | 0 | 112.9 | M65 R71 | M65-Y67 HydrophobicContact CB-CD1 3.67Å; M65-Y67 HydrophobicContact CB-CE1 3.33Å; M65-Y67 HydrophobicContact CE-CE1 3.76Å; M65-Y67 HydrophobicContact CG-CE1 3.96Å; M65-Y67 PolarHBondContact O-N 2.98Å; M65-Y67 HydrophobicContact SD-CE1 3.42Å; M65-Y67 WeakPolarHBondContact SD-CE1 2.94Å; M65-Y67 PolarHBondContact SD-OH 3.39Å; Y67-R71 VanDerWaalsContact CE2-NH2 3.33Å; Y67-R71 WeakPolarHBondContact O-CG 3.45Å; Y67-R71 PolarHBondContact O-N 3.39Å |
| 68 | R | 92.6 | Very high | 91 | Very high | 27 Ų | 27 | 85.8 Ų | 85.8 | 10% | 0.102 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -74.3 | -42.8 | 175.4 | -65.3 | 175.5 | 173.7 | -168.3 | 1.5 | 110.7 | F34 Y36 E64 M65 K66 A70 R71 N72 | F34-R68 HydrophobicContact CD1-CB 4.28Å; Y36-R68 VanDerWaalsContact CG-NH2 3.3Å; E64-R68 IonicContact OE1-NH1 2.92Å; E64-R68 WeakPolarHBondContact OE2-CD 3.16Å; E64-R68 IonicContact OE2-CZ 2.79Å; E64-R68 IonicContact OE2-NE 3.6Å; E64-R68 IonicContact OE2-NH1 3.79Å; E64-R68 PolarHBondContact OE2-NH1 3.43Å; E64-R68 VanDerWaalsContact OE2-NH1 3.16Å; M65-R68 HydrophobicContact CB-CG 4.46Å; M65-R68 WeakPolarHBondContact O-CB 3.46Å; M65-R68 PolarHBondContact O-N 3.32Å; K66-R68 VanDerWaalsContact C-N 3.31Å; K66-R68 PolarHBondContact O-N 2.9Å; R68-A70 VanDerWaalsContact C-N 3.27Å; R68-A70 PolarHBondContact O-N 3.4Å; R68-R71 PolarHBondContact O-N 3.43Å; R68-N72 PolarHBondContact O-N 2.94Å |
| 69 | L | 93.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 86.8 Ų | 86.8 | 3% | 0.031 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -56.6 | -43.8 | 171.3 | -62.1 | 175.8 | 0 | 0 | 0 | 111.3 | F34 K61 E64 M65 K66 N72 K73 L74 V75 | F34-L69 HydrophobicContact CE1-CD2 3.94Å; F34-L69 HydrophobicContact CZ-CD2 3.81Å; K61-L69 HydrophobicContact CG-CD2 4.34Å; E64-L69 HydrophobicContact CB-CD2 3.9Å; E64-L69 HydrophobicContact CB-CG 4.04Å; M65-L69 PolarHBondContact O-N 3.16Å; K66-L69 PolarHBondContact O-N 2.85Å; L69-N72 CarbonylContact O-C 3.59Å; L69-N72 PolarHBondContact O-N 3.2Å; L69-K73 PolarHBondContact O-N 2.84Å; L69-K73 VanDerWaalsContact O-N 3.17Å; L69-L74 HydrophobicContact CB-CB 4.4Å; L69-L74 HydrophobicContact CD2-CB 4.45Å; L69-L74 HydrophobicContact CD2-CD1 3.95Å; L69-L74 PolarHBondContact O-N 3.32Å; L69-V75 HydrophobicContact CB-CB 4.11Å; L69-V75 HydrophobicContact CB-CG2 3.88Å; L69-V75 HydrophobicContact CD1-CG2 4.01Å |
| 70 | A | 92.2 | Very high | 89.7 | Confident | 35 Ų | 35 | 91 Ų | 91 | 29% | 0.289 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | K66 R68 N72 K73 V75 V77 | K66-A70 WeakPolarHBondContact O-CB 3.36Å; K66-A70 PolarHBondContact O-N 3.17Å; R68-A70 VanDerWaalsContact C-N 3.27Å; R68-A70 PolarHBondContact O-N 3.4Å; A70-N72 VanDerWaalsContact C-N 3.27Å; A70-N72 PolarHBondContact O-N 2.91Å; A70-K73 PolarHBondContact O-N 3.01Å; A70-V75 WeakPolarHBondContact CA-O 3.42Å; A70-V77 HydrophobicContact CB-CG2 3.96Å |
| 71 | R | 90.8 | Very high | 89.5 | Confident | 141 Ų | 141 | 92.9 Ų | 92.9 | 53% | 0.532 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -32.7 | 175.3 | -74.9 | -169.3 | -58.9 | -163.3 | 6.9 | 113 | Y67 R68 K73 | Y67-R71 VanDerWaalsContact CE2-NH2 3.33Å; Y67-R71 WeakPolarHBondContact O-CG 3.45Å; Y67-R71 PolarHBondContact O-N 3.39Å; R68-R71 PolarHBondContact O-N 3.43Å; R71-K73 VanDerWaalsContact C-N 3.25Å; R71-K73 PolarHBondContact O-N 3.47Å |
| 72 | N | 90.1 | Very high | 89.5 | Confident | 33 Ų | 33 | 96.9 Ų | 96.9 | 18% | 0.176 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 9.8 | 174.4 | -70.2 | 10.4 | 0 | 0 | 0 | 112.9 | R19 F34 R68 L69 A70 L74 | R19-N72 VanDerWaalsContact CZ-ND2 3.34Å; R19-N72 PolarHBondContact NH1-OD1 3.45Å; F34-N72 VanDerWaalsContact CD1-ND2 3.35Å; F34-N72 WeakPolarHBondContact CD1-ND2 3.14Å; F34-N72 HydrophobicContact CE1-CB 4.36Å; F34-N72 WeakPolarHBondContact CE1-ND2 3.49Å; R68-N72 PolarHBondContact O-N 2.94Å; L69-N72 CarbonylContact O-C 3.59Å; L69-N72 PolarHBondContact O-N 3.2Å; A70-N72 VanDerWaalsContact C-N 3.27Å; A70-N72 PolarHBondContact O-N 2.91Å; N72-L74 HydrophobicContact CB-CD1 4.29Å; N72-L74 HydrophobicContact CB-CG 4.25Å; N72-L74 PolarHBondContact O-N 3Å |
| 73 | K | 88.9 | Confident | 89.5 | Confident | 196 Ų | 196 | 96.8 Ų | 96.8 | 85% | 0.852 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 21.2 | 179 | -54 | 177.4 | 179.8 | 178 | 0 | 115.1 | L69 A70 R71 | L69-K73 PolarHBondContact O-N 2.84Å; L69-K73 VanDerWaalsContact O-N 3.17Å; A70-K73 PolarHBondContact O-N 3.01Å; R71-K73 VanDerWaalsContact C-N 3.25Å; R71-K73 PolarHBondContact O-N 3.47Å |
| 74 | L | 88.9 | Confident | 89.4 | Confident | 41 Ų | 41 | 96.1 Ų | 96.1 | 22% | 0.215 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -86.5 | -21.1 | -179.9 | -63.5 | 175.1 | 0 | 0 | 0 | 113.5 | F34 L57 L69 N72 | F34-L74 HydrophobicContact CE1-CD1 4.38Å; F34-L74 HydrophobicContact CZ-CD1 3.71Å; L57-L74 HydrophobicContact CD1-CD1 3.97Å; L57-L74 HydrophobicContact CD1-CD2 4.09Å; L69-L74 HydrophobicContact CB-CB 4.4Å; L69-L74 HydrophobicContact CD2-CB 4.45Å; L69-L74 HydrophobicContact CD2-CD1 3.95Å; L69-L74 PolarHBondContact O-N 3.32Å; N72-L74 HydrophobicContact CB-CD1 4.29Å; N72-L74 HydrophobicContact CB-CG 4.25Å; N72-L74 PolarHBondContact O-N 3Å |
| 75 | V | 89.1 | Confident | 89.3 | Confident | 57 Ų | 57 | 103.9 Ų | 103.9 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -143.1 | 134.1 | -178.7 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | L69 A70 | L69-V75 HydrophobicContact CB-CB 4.11Å; L69-V75 HydrophobicContact CB-CG2 3.88Å; L69-V75 HydrophobicContact CD1-CG2 4.01Å; A70-V75 WeakPolarHBondContact CA-O 3.42Å |
| 76 | T | 88.3 | Confident | 89.5 | Confident | 135 Ų | 135 | 103.7 Ų | 103.7 | 83% | 0.828 | 51% | 0.506 | S | S | * | . | trans | -89.4 | 122.7 | 170.5 | -59.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 77 | V | 83 | Confident | 89.5 | Confident | 81 Ų | 81 | 99.6 Ų | 99.6 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | trans | -98 | 113.1 | 176 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | A70 P79 | A70-V77 HydrophobicContact CB-CG2 3.96Å; V77-P79 WeakPolarHBondContact O-CD 3.5Å | ||
| 78 | P | 82.5 | Confident | 89.5 | Confident | 90 Ų | 90 | 103.7 Ų | 103.7 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | trans | -68.6 | 126.6 | -178.5 | 25.9 | -32.9 | 0 | 0 | 0 | 110.7 | K80 | P78-K80 PolarHBondContact O-N 3.03Š| ||
| 79 | P | 76.2 | Confident | 89.5 | Confident | 133 Ų | 133 | 107.8 Ų | 107.8 | 86% | 0.864 | 52% | 0.523 | S | S | * | . | trans | -76.4 | 96.6 | 178.3 | 30.4 | -32.9 | 0 | 0 | 0 | 109.5 | V77 | V77-P79 WeakPolarHBondContact O-CD 3.5Š| ||
| 80 | K | 82.6 | Confident | 89.5 | Confident | 168 Ų | 168 | 111.5 Ų | 111.5 | 73% | 0.73 | 54% | 0.543 | S | S | * | . | trans | -107.9 | 114.9 | 166.9 | -73.8 | -178.1 | 176.3 | 169.1 | 0 | 109.6 | P78 | P78-K80 PolarHBondContact O-N 3.03Š| ||
| 81 | G | 89.5 | Confident | 89.5 | Confident | 39 Ų | 39 | 117 Ų | 117 | 40% | 0.402 | 56% | 0.56 | S | S | . | * | trans | -58.1 | 139.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K83 L84 R85 | G81-K83 PolarHBondContact O-N 3.25Å; G81-L84 PolarHBondContact O-N 3.25Å; G81-R85 PolarHBondContact O-N 2.95Å | ||
| 82 | R | 93.2 | Very high | 89.4 | Confident | 180 Ų | 180 | 113.1 Ų | 113.1 | 68% | 0.679 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.3 | -36.2 | -179.2 | -171.6 | 178.9 | -176.6 | -167.4 | 0.9 | 112.1 | K86 | R82-K86 WeakPolarHBondContact O-CG 3.41Å; R82-K86 PolarHBondContact O-N 3.32Å; R82-K86 VanDerWaalsContact O-N 3.16Å |
| 83 | K | 94.3 | Very high | 89.4 | Confident | 153 Ų | 153 | 119 Ų | 119 | 67% | 0.665 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.4 | -55.4 | 177.7 | -176.3 | 177.6 | 174.9 | -179.1 | 0 | 111.5 | G81 R85 K86 E87 | G81-K83 PolarHBondContact O-N 3.25Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.2Å; K83-K86 WeakPolarHBondContact O-CA 2.95Å; K83-K86 WeakPolarHBondContact O-CB 3.35Å; K83-K86 PolarHBondContact O-N 3.16Å; K83-E87 WeakPolarHBondContact CE-OE1 3.47Å; K83-E87 HydrophobicContact CG-CG 4.49Å; K83-E87 WeakPolarHBondContact CG-OE1 3.46Å; K83-E87 PolarHBondContact O-N 2.99Å |
| 84 | L | 92 | Very high | 89.4 | Confident | 119 Ų | 119 | 118.6 Ų | 118.6 | 62% | 0.623 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -56.1 | -40.8 | 178.6 | -64.6 | 173.6 | 0 | 0 | 0 | 112.6 | G81 K86 E87 R88 | G81-L84 PolarHBondContact O-N 3.25Å; L84-K86 PolarHBondContact O-N 2.88Å; L84-E87 PolarHBondContact O-N 2.9Å; L84-R88 WeakPolarHBondContact O-CB 3.43Å; L84-R88 PolarHBondContact O-N 3.5Å |
| 85 | R | 91.5 | Very high | 89.1 | Confident | 174 Ų | 174 | 120 Ų | 120 | 66% | 0.657 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64 | -40.6 | 176.3 | -172.9 | 174.3 | 63.9 | 170.1 | -0.8 | 112.2 | G81 K83 K89 | G81-R85 PolarHBondContact O-N 2.95Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.2Å; R85-K89 WeakPolarHBondContact O-CB 3.5Å; R85-K89 PolarHBondContact O-N 2.88Å; R85-K89 VanDerWaalsContact O-N 3.09Å |
| 86 | K | 95.3 | Very high | 88.9 | Confident | 100 Ų | 100 | 128.4 Ų | 128.4 | 44% | 0.435 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.4 | -41.7 | 177.5 | -76 | -179.1 | 174.6 | -172 | 0 | 111.6 | R82 K83 L84 K89 N90 | R82-K86 WeakPolarHBondContact O-CG 3.41Å; R82-K86 PolarHBondContact O-N 3.32Å; R82-K86 VanDerWaalsContact O-N 3.16Å; K83-K86 WeakPolarHBondContact O-CA 2.95Å; K83-K86 WeakPolarHBondContact O-CB 3.35Å; K83-K86 PolarHBondContact O-N 3.16Å; L84-K86 PolarHBondContact O-N 2.88Å; K86-K89 WeakPolarHBondContact O-CB 3.43Å; K86-K89 PolarHBondContact O-N 3.18Å; K86-N90 WeakPolarHBondContact O-CB 3.43Å; K86-N90 VanDerWaalsContact O-CG 3.24Å; K86-N90 PolarHBondContact O-N 3.41Å; K86-N90 PolarHBondContact O-OD1 3.45Å |
| 87 | E | 93.5 | Very high | 88.6 | Confident | 78 Ų | 78 | 125 Ų | 125 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.5 | -46.5 | 176.2 | -72.4 | 173.1 | -178 | 0 | 0 | 111.7 | K83 L84 K89 N90 K91 | K83-E87 WeakPolarHBondContact CE-OE1 3.47Å; K83-E87 HydrophobicContact CG-CG 4.49Å; K83-E87 WeakPolarHBondContact CG-OE1 3.46Å; K83-E87 PolarHBondContact O-N 2.99Å; L84-E87 PolarHBondContact O-N 2.9Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.31Å; E87-N90 PolarHBondContact O-N 3.45Å; E87-K91 WeakPolarHBondContact O-CG 3.48Å; E87-K91 PolarHBondContact O-N 3.09Å |
| 88 | R | 91.2 | Very high | 88.5 | Confident | 192 Ų | 192 | 128.3 Ų | 128.3 | 73% | 0.725 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.5 | -44 | 174.6 | -175 | -180 | 174.2 | -177 | -0.8 | 111.7 | L84 K91 A92 | L84-R88 WeakPolarHBondContact O-CB 3.43Å; L84-R88 PolarHBondContact O-N 3.5Å; R88-K91 PolarHBondContact O-N 3.5Å; R88-A92 WeakPolarHBondContact O-CB 3.41Å; R88-A92 PolarHBondContact O-N 2.94Å |
| 89 | K | 93.7 | Very high | 88.1 | Confident | 112 Ų | 112 | 132 Ų | 132 | 49% | 0.487 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -59.2 | -47.1 | 175.2 | -175.8 | -168.5 | 70.4 | 170.4 | 0 | 111.2 | R85 K86 E87 K91 A92 K93 | R85-K89 WeakPolarHBondContact O-CB 3.5Å; R85-K89 PolarHBondContact O-N 2.88Å; R85-K89 VanDerWaalsContact O-N 3.09Å; K86-K89 WeakPolarHBondContact O-CB 3.43Å; K86-K89 PolarHBondContact O-N 3.18Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.31Å; K89-K91 PolarHBondContact O-N 3.4Å; K89-A92 PolarHBondContact O-N 2.99Å; K89-K93 WeakPolarHBondContact O-CG 3.48Å; K89-K93 PolarHBondContact O-N 3.21Å |
| 90 | N | 93.8 | Very high | 87.9 | Confident | 85 Ų | 85 | 130.6 Ų | 130.6 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.8 | -34 | -178.7 | -69 | -7 | 0 | 0 | 0 | 112.3 | K86 E87 | K86-N90 WeakPolarHBondContact O-CB 3.43Å; K86-N90 VanDerWaalsContact O-CG 3.24Å; K86-N90 PolarHBondContact O-N 3.41Å; K86-N90 PolarHBondContact O-OD1 3.45Å; E87-N90 PolarHBondContact O-N 3.45Å |
| 91 | K | 90.2 | Very high | 87.2 | Confident | 151 Ų | 151 | 131.3 Ų | 131.3 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.1 | -45.8 | 171.1 | -71.5 | 179 | 180 | -177 | 0 | 111.6 | E87 R88 K89 K93 K94 | E87-K91 WeakPolarHBondContact O-CG 3.48Å; E87-K91 PolarHBondContact O-N 3.09Å; R88-K91 PolarHBondContact O-N 3.5Å; K89-K91 PolarHBondContact O-N 3.4Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 3.12Å; K91-K94 PolarHBondContact O-N 3.17Å; K91-K94 VanDerWaalsContact O-N 3.12Å |
| 92 | A | 89 | Confident | 85.8 | Confident | 58 Ų | 58 | 136.6 Ų | 136.6 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.7 | -36.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R88 K89 K94 I95 | R88-A92 WeakPolarHBondContact O-CB 3.41Å; R88-A92 PolarHBondContact O-N 2.94Å; K89-A92 PolarHBondContact O-N 2.99Å; A92-K94 PolarHBondContact O-N 3.12Å; A92-K94 VanDerWaalsContact O-N 3.17Å; A92-I95 PolarHBondContact O-N 3.37Å; A92-I95 VanDerWaalsContact O-N 3.12Å |
| 93 | K | 90.9 | Very high | 84.1 | Confident | 156 Ų | 156 | 131.4 Ų | 131.4 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -22.4 | 175.1 | -78 | -177.4 | 172 | -158.4 | 0 | 114.5 | K89 K91 I95 | K89-K93 WeakPolarHBondContact O-CG 3.48Å; K89-K93 PolarHBondContact O-N 3.21Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 3.12Å; K93-I95 VanDerWaalsContact C-N 3.32Å |
| 94 | K | 88 | Confident | 82.2 | Confident | 189 Ų | 189 | 134 Ų | 134 | 82% | 0.822 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -11 | 179 | -61.6 | -174 | -177.8 | -170.2 | 0 | 113.2 | K91 A92 | K91-K94 PolarHBondContact O-N 3.17Å; K91-K94 VanDerWaalsContact O-N 3.12Å; A92-K94 PolarHBondContact O-N 3.12Å; A92-K94 VanDerWaalsContact O-N 3.17Å |
| 95 | I | 83.7 | Confident | 80.3 | Confident | 71 Ų | 71 | 137.4 Ų | 137.4 | 36% | 0.364 | 65% | 0.648 | S | S | . | * | trans | -97.2 | 127.4 | -176.2 | -56.8 | 170.3 | 0 | 0 | 0 | 108.8 | A92 K93 K99 V100 | A92-I95 PolarHBondContact O-N 3.37Å; A92-I95 VanDerWaalsContact O-N 3.12Å; K93-I95 VanDerWaalsContact C-N 3.32Å; I95-K99 WeakPolarHBondContact CG2-O 3.4Å; I95-V100 HydrophobicContact CD1-CG2 3.57Å; I95-V100 HydrophobicContact CG1-CG2 3.96Å; I95-V100 HydrophobicContact CG2-CG2 4.48Å | ||
| 96 | R | 84.4 | Confident | 78.7 | Confident | 232 Ų | 232 | 134.5 Ų | 134.5 | 88% | 0.875 | 65% | 0.646 | S | S | * | * | trans | -96.9 | 115.4 | 169.5 | -173.7 | 174.3 | -179.7 | 170 | 0.3 | 109.3 | ||||
| 97 | G | 81.4 | Confident | 76.2 | Confident | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 99.2 | -170.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 98 | T | 80.8 | Confident | 75.4 | Confident | 149 Ų | 149 | 139.9 Ų | 139.9 | 91% | 0.914 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -79 | -26.1 | -177 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 99 | K | 74 | Confident | 74.5 | Confident | 169 Ų | 169 | 137.2 Ų | 137.2 | 74% | 0.735 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -124.7 | 150.2 | -179.1 | -65.7 | -176.2 | -179.2 | 178.6 | 0 | 110.2 | I95 K101 | I95-K99 WeakPolarHBondContact CG2-O 3.4Å; K99-K101 PolarHBondContact O-N 3.01Å |
| 100 | V | 73.2 | Confident | 73.5 | Confident | 102 Ų | 102 | 138.6 Ų | 138.6 | 62% | 0.618 | 70% | 0.701 | S | S | * | * | trans | -57.8 | 122.6 | 163.7 | -175.6 | 0 | 0 | 0 | 0 | 106.6 | I95 K102 | I95-V100 HydrophobicContact CD1-CG2 3.57Å; I95-V100 HydrophobicContact CG1-CG2 3.96Å; I95-V100 HydrophobicContact CG2-CG2 4.48Å; V100-K102 PolarHBondContact O-N 3.32Å | ||
| 101 | K | 66.6 | Low | 72.3 | Confident | 184 Ų | 184 | 141.7 Ų | 141.7 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | trans | -62.3 | 107.9 | 165.8 | -73.8 | -171.4 | 177.6 | -173.2 | 0 | 106 | K99 S103 | K99-K101 PolarHBondContact O-N 3.01Å; K101-S103 PolarHBondContact O-N 3.26Å | ||
| 102 | K | 61 | Low | 71.1 | Confident | 150 Ų | 150 | 141.1 Ų | 141.1 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | trans | -53 | 125.4 | 166.5 | -77.2 | -171.9 | 171.9 | -167.6 | 0 | 106.4 | V100 | V100-K102 PolarHBondContact O-N 3.32Š| ||
| 103 | S | 57.3 | Low | 70 | Confident | 71 Ų | 71 | 146.7 Ų | 146.7 | 50% | 0.497 | 74% | 0.735 | S | S | . | * | trans | -61.9 | 150.4 | 165.3 | 60.1 | 0 | 0 | 0 | 0 | 106.8 | K101 K105 D106 | K101-S103 PolarHBondContact O-N 3.26Å; S103-K105 PolarHBondContact O-N 2.78Å; S103-D106 PolarHBondContact O-N 3.19Å | ||
| 104 | K | 54 | Low | 68.5 | Low | 207 Ų | 207 | 146 Ų | 146 | 90% | 0.9 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -1.8 | 178.4 | -80.7 | -176.8 | 172.8 | -177.9 | 0 | 114.4 | ||
| 105 | K | 52.5 | Low | 67 | Low | 190 Ų | 190 | 142.7 Ų | 142.7 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -13.9 | -176.5 | -133.3 | 177.6 | -176.8 | -178.3 | 0 | 113.9 | S103 | S103-K105 PolarHBondContact O-N 2.78Š|
| 106 | D | 58.2 | Low | 65.6 | Low | 113 Ų | 113 | 148.7 Ų | 148.7 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | trans | -109.4 | 24.2 | -179 | -59.8 | -32.1 | 0 | 0 | 0 | 112.9 | S103 | S103-D106 PolarHBondContact O-N 3.19Š| ||
| 107 | S | 43.2 | Very low | 63.8 | Low | 152 Ų | 152 | 141.1 Ų | 141.1 | 100% | 1.063 | 75% | 0.753 | S | S | * | * | trans | -123.6 | 0 | 170.6 | -59 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 107 of 107 residues in 41.2 ms
(Link to these results)