| 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 | 50.7 | Low | 81.8 | Confident | 243 Ų | 243 | 107.5 Ų | 107.5 | 100% | 1.197 | 65% | 0.653 | S | S | * | * | 0 | 123.2 | 0 | -73.6 | -149.9 | -93.4 | 0 | 0 | 108.1 | G3 | M1-G3 PolarHBondContact O-N 3.11Š| |||
| 2 | A | 52.7 | Low | 83 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 88% | 0.876 | 61% | 0.609 | S | S | * | * | trans | -59.4 | 132.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A4 | A2-A4 PolarHBondContact O-N 3.17Å; A2-A4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | G | 61.9 | Low | 84 | Confident | 70 Ų | 70 | 102.2 Ų | 102.2 | 72% | 0.722 | 60% | 0.599 | S | S | * | * | trans | -67.2 | 111.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1 | M1-G3 PolarHBondContact O-N 3.11Š| ||
| 4 | A | 72.6 | Confident | 84.8 | Confident | 64 Ų | 64 | 100 Ų | 100 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | trans | -59 | 144.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A2 V6 | A2-A4 PolarHBondContact O-N 3.17Å; A2-A4 VanDerWaalsContact O-N 3.16Å; A4-V6 PolarHBondContact O-N 2.74Å | ||
| 5 | S | 91.2 | Very high | 85.6 | Confident | 132 Ų | 132 | 97.7 Ų | 97.7 | 92% | 0.923 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -65.1 | -20.5 | -179.7 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 6 | V | 92.6 | Very high | 86.1 | Confident | 101 Ų | 101 | 95.8 Ų | 95.8 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | trans | -125.7 | 134.3 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | A4 V8 | A4-V6 PolarHBondContact O-N 2.74Å; V6-V8 HydrophobicContact CG1-CG2 4.46Å | ||
| 7 | K | 93.4 | Very high | 86.8 | Confident | 121 Ų | 121 | 95.8 Ų | 95.8 | 53% | 0.526 | 56% | 0.562 | S | S | . | * | trans | -118.1 | 140.7 | 169.7 | -65.8 | -168.3 | 179.7 | -179.2 | 0 | 110 | D53 Y54 | K7-D53 VanDerWaalsContact CA-OD2 3.26Å; K7-D53 WeakPolarHBondContact CA-OD2 3.35Å; K7-D53 HydrophobicContact CB-CB 4.27Å; K7-Y54 HydrophobicContact CD-CE2 3.84Å; K7-Y54 PolarHBondContact NZ-OH 3.33Å; K7-Y54 VanDerWaalsContact NZ-OH 3.09Å | ||
| 8 | V | 95.8 | Very high | 87.4 | Confident | 69 Ų | 69 | 99.7 Ų | 99.7 | 42% | 0.418 | 57% | 0.566 | S | S | . | * | trans | -116.2 | 129.7 | -179.9 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | V6 F52 D53 Y54 | V6-V8 HydrophobicContact CG1-CG2 4.46Å; V8-F52 HydrophobicContact CB-CD1 4.26Å; V8-F52 HydrophobicContact CG1-CD1 3.62Å; V8-F52 HydrophobicContact CG1-CE1 4.12Å; V8-D53 PolarHBondContact N-OD2 2.95Å; V8-D53 WeakPolarHBondContact O-CB 3.38Å; V8-D53 PolarHBondContact O-N 3.34Å; V8-Y54 PolarHBondContact O-N 2.92Å | ||
| 9 | A | 95.9 | Very high | 87.9 | Confident | 57 Ų | 57 | 96.8 Ų | 96.8 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y54 Y56 | A9-Y54 CarbonylContact C-O 3.57Å; A9-Y54 VanDerWaalsContact CA-O 3.29Å; A9-Y54 WeakPolarHBondContact CA-O 3.45Å; A9-Y54 HydrophobicContact CB-CD2 4.27Å; A9-Y56 HydrophobicContact CB-CD2 4.47Å; A9-Y56 HydrophobicContact CB-CE2 4.05Å |
| 10 | V | 97.3 | Very high | 88.2 | Confident | 36 Ų | 36 | 97.5 Ų | 97.5 | 22% | 0.218 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.1 | 170.8 | -63 | 0 | 0 | 0 | 0 | 110.1 | M30 T35 F52 Y54 S55 Y56 | V10-M30 HydrophobicContact CG2-CE 4.02Å; V10-T35 WeakPolarHBondContact CG2-OG1 3.31Å; V10-F52 HydrophobicContact CB-CD2 4.23Å; V10-F52 HydrophobicContact CB-CE2 4.29Å; V10-F52 HydrophobicContact CG1-CD1 3.97Å; V10-F52 HydrophobicContact CG1-CD2 3.73Å; V10-F52 HydrophobicContact CG1-CE1 3.82Å; V10-F52 HydrophobicContact CG1-CE2 3.58Å; V10-F52 HydrophobicContact CG1-CG 3.92Å; V10-F52 HydrophobicContact CG1-CZ 3.62Å; V10-F52 HydrophobicContact CG2-CD2 3.42Å; V10-F52 VanDerWaalsContact CG2-CD2 3.42Å; V10-F52 HydrophobicContact CG2-CE2 3.75Å; V10-F52 HydrophobicContact CG2-CG 4.07Å; V10-Y54 PolarHBondContact N-O 3.21Å; V10-S55 WeakPolarHBondContact CG2-OG 3.46Å; V10-Y56 PolarHBondContact O-N 3.16Å |
| 11 | R | 96.1 | Very high | 88.6 | Confident | 183 Ų | 183 | 97.1 Ų | 97.1 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.5 | 177.9 | -175.9 | 176.9 | -173.8 | -172.6 | 2 | 110.6 | Y56 S58 | R11-Y56 VanDerWaalsContact CA-O 3.31Å; R11-Y56 WeakPolarHBondContact CA-O 3.26Å; R11-S58 PolarHBondContact NE-OG 3.47Å; R11-S58 PolarHBondContact NH2-OG 3.2Å; R11-S58 VanDerWaalsContact NH2-OG 3.15Å |
| 12 | V | 96.2 | Very high | 90.8 | Very high | 20 Ų | 20 | 93.2 Ų | 93.2 | 12% | 0.121 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.3 | 169.4 | 152.7 | 0 | 0 | 0 | 0 | 109.4 | I28 M30 Y56 W57 S58 H59 | V12-I28 HydrophobicContact CG2-CB 3.84Å; V12-I28 HydrophobicContact CG2-CG1 4.12Å; V12-I28 HydrophobicContact CG2-CG2 3.46Å; V12-I28 VanDerWaalsContact CG2-CG2 3.46Å; V12-M30 HydrophobicContact CB-CE 3.92Å; V12-M30 HydrophobicContact CB-SD 4.49Å; V12-M30 HydrophobicContact CG2-CE 3.58Å; V12-Y56 PolarHBondContact N-O 3.22Å; V12-W57 HydrophobicContact CB-CE3 4.06Å; V12-W57 HydrophobicContact CB-CZ3 4.3Å; V12-W57 HydrophobicContact CG1-CD2 4.47Å; V12-W57 HydrophobicContact CG1-CE3 3.85Å; V12-W57 HydrophobicContact CG1-CH2 4.4Å; V12-W57 HydrophobicContact CG1-CZ3 3.8Å; V12-W57 HydrophobicContact CG2-CZ3 4.44Å; V12-S58 CarbonylContact O-C 3.59Å; V12-S58 VanDerWaalsContact O-C 3.29Å; V12-S58 VanDerWaalsContact O-CA 3.29Å; V12-S58 WeakPolarHBondContact O-CA 3.47Å; V12-S58 VanDerWaalsContact O-CB 3.26Å; V12-S58 WeakPolarHBondContact O-CB 3.4Å; V12-S58 PolarHBondContact O-N 3.07Å; V12-H59 HydrophobicContact CG1-CB 3.5Å |
| 13 | R | 95.3 | Very high | 92.8 | Very high | 127 Ų | 127 | 95.1 Ų | 95.1 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 162.4 | 174.1 | 63.5 | 164 | 179.7 | 78.3 | 2 | 112 | E19 H59 | R13-E19 IonicContact CZ-OE1 3.62Å; R13-E19 IonicContact CZ-OE2 3.56Å; R13-E19 IonicContact NH1-OE1 3.57Å; R13-E19 IonicContact NH1-OE2 2.75Å; R13-E19 PolarHBondContact NH1-OE2 3.04Å; R13-E19 IonicContact NH2-OE1 2.75Å; R13-E19 PolarHBondContact NH2-OE1 2.9Å; R13-E19 IonicContact NH2-OE2 3.43Å; R13-E19 PolarHBondContact NH2-OE2 3.12Å; R13-H59 PolarHBondContact O-ND1 3.41Å |
| 14 | P | 95.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 94.1 Ų | 94.1 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -62 | 165.2 | 166.5 | -18.5 | 31.7 | 0 | 0 | 0 | 112 | S58 | P14-S58 WeakPolarHBondContact CD-O 3.33Å; P14-S58 WeakPolarHBondContact CG-O 3.24Å |
| 15 | F | 96 | Very high | 95.4 | Very high | 66 Ų | 66 | 99.8 Ų | 99.8 | 29% | 0.289 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 143.4 | 170.6 | -72.5 | -50.1 | 0 | 0 | 0 | 112.4 | E19 M20 S24 C26 H59 | F15-E19 VanDerWaalsContact CA-OE2 3.26Å; F15-E19 WeakPolarHBondContact CA-OE2 3.32Å; F15-E19 HydrophobicContact CB-CB 3.92Å; F15-E19 HydrophobicContact CD1-CB 3.54Å; F15-E19 HydrophobicContact CD1-CG 4.07Å; F15-E19 WeakPolarHBondContact CD1-OE2 3.47Å; F15-E19 HydrophobicContact CE1-CB 4.31Å; F15-E19 HydrophobicContact CG-CB 3.98Å; F15-M20 HydrophobicContact CB-CG 3.8Å; F15-S24 WeakPolarHBondContact CE2-O 3.35Å; F15-S24 VanDerWaalsContact CZ-O 3.32Å; F15-S24 WeakPolarHBondContact CZ-O 3.49Å; F15-C26 HydrophobicContact CE2-CB 4.19Å; F15-C26 HydrophobicContact CZ-CB 3.75Å; F15-H59 AromaticContact CD1-CE1 3.9Å; F15-H59 AromaticContact CD2-CE1 3.73Å; F15-H59 AromaticContact CD2-NE2 3.79Å; F15-H59 AromaticContact CE1-CE1 3.83Å; F15-H59 AromaticContact CE2-CE1 3.66Å; F15-H59 AromaticContact CE2-NE2 3.43Å; F15-H59 WeakPolarHBondContact CE2-NE2 3.45Å; F15-H59 AromaticContact CG-CE1 3.86Å; F15-H59 AromaticContact CZ-CE1 3.71Å; F15-H59 AromaticContact CZ-NE2 3.73Å |
| 16 | N | 95 | Very high | 95.6 | Very high | 67 Ų | 67 | 96.2 Ų | 96.2 | 36% | 0.358 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 172.4 | 169.4 | 69.8 | 28.6 | 0 | 0 | 0 | 110.9 | R18 E19 M20 | N16-R18 PolarHBondContact O-N 2.75Å; N16-R18 PolarHBondContact OD1-N 3.38Å; N16-R18 VanDerWaalsContact OD1-N 3.11Å; N16-E19 VanDerWaalsContact CG-OE2 3.3Å; N16-E19 PolarHBondContact N-OE2 3.13Å; N16-E19 PolarHBondContact O-N 3.15Å; N16-E19 VanDerWaalsContact O-N 3.12Å; N16-E19 WeakPolarHBondContact OD1-CG 3.48Å; N16-E19 PolarHBondContact OD1-N 3.43Å; N16-E19 PolarHBondContact OD1-OE2 2.95Å; N16-M20 WeakPolarHBondContact O-CG 3.34Å; N16-M20 PolarHBondContact O-N 2.98Å |
| 17 | S | 96.6 | Very high | 95.8 | Very high | 95 Ų | 95 | 94 Ų | 94 | 66% | 0.664 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -55.2 | -37.3 | -177.1 | -50 | 0 | 0 | 0 | 0 | 113.6 | S21 | S17-S21 VanDerWaalsContact O-CB 3.31Å; S17-S21 WeakPolarHBondContact O-CB 3.11Å; S17-S21 PolarHBondContact O-N 3.14Å; S17-S21 PolarHBondContact O-OG 3.26Å |
| 18 | R | 97.8 | Very high | 96 | Very high | 166 Ų | 166 | 90 Ų | 90 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.9 | -43 | 179.5 | -178.5 | 176.3 | -177.4 | -106.4 | 6.5 | 111.6 | N16 M20 S21 R22 | N16-R18 PolarHBondContact O-N 2.75Å; N16-R18 PolarHBondContact OD1-N 3.38Å; N16-R18 VanDerWaalsContact OD1-N 3.11Å; R18-M20 VanDerWaalsContact C-N 3.33Å; R18-S21 WeakPolarHBondContact CA-OG 3.46Å; R18-S21 PolarHBondContact O-N 3.2Å; R18-S21 PolarHBondContact O-OG 2.89Å; R18-R22 WeakPolarHBondContact O-CG 3.2Å; R18-R22 PolarHBondContact O-N 2.76Å |
| 19 | E | 97 | Very high | 95.9 | Very high | 45 Ų | 45 | 92.7 Ų | 92.7 | 21% | 0.21 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 179.3 | -71.6 | 155.6 | 174.1 | 0 | 0 | 110.7 | R13 F15 N16 R22 D23 S24 | R13-E19 IonicContact CZ-OE1 3.62Å; R13-E19 IonicContact CZ-OE2 3.56Å; R13-E19 IonicContact NH1-OE1 3.57Å; R13-E19 IonicContact NH1-OE2 2.75Å; R13-E19 PolarHBondContact NH1-OE2 3.04Å; R13-E19 IonicContact NH2-OE1 2.75Å; R13-E19 PolarHBondContact NH2-OE1 2.9Å; R13-E19 IonicContact NH2-OE2 3.43Å; R13-E19 PolarHBondContact NH2-OE2 3.12Å; F15-E19 VanDerWaalsContact CA-OE2 3.26Å; F15-E19 WeakPolarHBondContact CA-OE2 3.32Å; F15-E19 HydrophobicContact CB-CB 3.92Å; F15-E19 HydrophobicContact CD1-CB 3.54Å; F15-E19 HydrophobicContact CD1-CG 4.07Å; F15-E19 WeakPolarHBondContact CD1-OE2 3.47Å; F15-E19 HydrophobicContact CE1-CB 4.31Å; F15-E19 HydrophobicContact CG-CB 3.98Å; N16-E19 VanDerWaalsContact CG-OE2 3.3Å; N16-E19 PolarHBondContact N-OE2 3.13Å; N16-E19 PolarHBondContact O-N 3.15Å; N16-E19 VanDerWaalsContact O-N 3.12Å; N16-E19 WeakPolarHBondContact OD1-CG 3.48Å; N16-E19 PolarHBondContact OD1-N 3.43Å; N16-E19 PolarHBondContact OD1-OE2 2.95Å; E19-R22 PolarHBondContact O-N 2.92Å; E19-D23 PolarHBondContact O-N 2.75Å; E19-S24 WeakPolarHBondContact CA-OG 3.38Å; E19-S24 VanDerWaalsContact O-CB 3.24Å; E19-S24 WeakPolarHBondContact O-CB 3.29Å; E19-S24 PolarHBondContact O-N 2.96Å; E19-S24 PolarHBondContact O-OG 3.03Å |
| 20 | M | 94.7 | Very high | 95.8 | Very high | 111 Ų | 111 | 91.8 Ų | 91.8 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 173.1 | -66.5 | -174.5 | -77.3 | 0 | 0 | 112 | F15 N16 R18 R22 D23 | F15-M20 HydrophobicContact CB-CG 3.8Å; N16-M20 WeakPolarHBondContact O-CG 3.34Å; N16-M20 PolarHBondContact O-N 2.98Å; R18-M20 VanDerWaalsContact C-N 3.33Å; M20-R22 PolarHBondContact O-N 3.13Å; M20-D23 PolarHBondContact O-N 3.42Å; M20-D23 VanDerWaalsContact O-N 3.13Å |
| 21 | S | 97.1 | Very high | 95.6 | Very high | 89 Ų | 89 | 94.4 Ų | 94.4 | 62% | 0.622 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.4 | -16.4 | -179.4 | 70.6 | 0 | 0 | 0 | 0 | 114.9 | S17 R18 | S17-S21 VanDerWaalsContact O-CB 3.31Å; S17-S21 WeakPolarHBondContact O-CB 3.11Å; S17-S21 PolarHBondContact O-N 3.14Å; S17-S21 PolarHBondContact O-OG 3.26Å; R18-S21 WeakPolarHBondContact CA-OG 3.46Å; R18-S21 PolarHBondContact O-N 3.2Å; R18-S21 PolarHBondContact O-OG 2.89Å |
| 22 | R | 96.8 | Very high | 95.4 | Very high | 162 Ų | 162 | 89 Ų | 89 | 61% | 0.611 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 12 | -178.1 | -67 | -168.9 | 70.1 | -165.3 | 1.4 | 112.5 | R18 E19 M20 S24 | R18-R22 WeakPolarHBondContact O-CG 3.2Å; R18-R22 PolarHBondContact O-N 2.76Å; E19-R22 PolarHBondContact O-N 2.92Å; M20-R22 PolarHBondContact O-N 3.13Å; R22-S24 PolarHBondContact O-N 3.14Å; R22-S24 VanDerWaalsContact O-N 3.14Å |
| 23 | D | 94.3 | Very high | 95.2 | Very high | 145 Ų | 145 | 90.9 Ų | 90.9 | 78% | 0.775 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 42 | -177.1 | -58.8 | -63.6 | 0 | 0 | 0 | 112 | E19 M20 K25 | E19-D23 PolarHBondContact O-N 2.75Å; M20-D23 PolarHBondContact O-N 3.42Å; M20-D23 VanDerWaalsContact O-N 3.13Å; D23-K25 PolarHBondContact O-N 3.39Å |
| 24 | S | 95.6 | Very high | 95.2 | Very high | 49 Ų | 49 | 86.6 Ų | 86.6 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 133.7 | -177 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | F15 E19 R22 | F15-S24 WeakPolarHBondContact CE2-O 3.35Å; F15-S24 VanDerWaalsContact CZ-O 3.32Å; F15-S24 WeakPolarHBondContact CZ-O 3.49Å; E19-S24 WeakPolarHBondContact CA-OG 3.38Å; E19-S24 VanDerWaalsContact O-CB 3.24Å; E19-S24 WeakPolarHBondContact O-CB 3.29Å; E19-S24 PolarHBondContact O-N 2.96Å; E19-S24 PolarHBondContact O-OG 3.03Å; R22-S24 PolarHBondContact O-N 3.14Å; R22-S24 VanDerWaalsContact O-N 3.14Å |
| 25 | K | 93.7 | Very high | 95.2 | Very high | 184 Ų | 184 | 83.9 Ų | 83.9 | 80% | 0.8 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -85.8 | 141.3 | 178.8 | -64.7 | -172 | 178.1 | -176.8 | 0 | 111.1 | D23 I27 | D23-K25 PolarHBondContact O-N 3.39Å; K25-I27 PolarHBondContact O-N 2.83Å |
| 26 | C | 94.6 | Very high | 95.3 | Very high | 56 Ų | 56 | 81.9 Ų | 81.9 | 38% | 0.378 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 122.2 | 173.7 | -170.2 | 0 | 0 | 0 | 0 | 108.2 | F15 H59 | F15-C26 HydrophobicContact CE2-CB 4.19Å; F15-C26 HydrophobicContact CZ-CB 3.75Å; C26-H59 WeakPolarHBondContact CB-NE2 3.31Å; C26-H59 PolarHBondContact SG-NE2 2.92Å; C26-H59 VanDerWaalsContact SG-NE2 3.37Å |
| 27 | I | 96.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 81.6 Ų | 81.6 | 28% | 0.277 | 45% | 0.446 | S | S | . | . | trans | -107.9 | 3.7 | -179 | 61.7 | 169.5 | 0 | 0 | 0 | 112.4 | K25 I37 V38 P40 | K25-I27 PolarHBondContact O-N 2.83Å; I27-I37 HydrophobicContact CD1-CD1 4.16Å; I27-I37 HydrophobicContact CD1-CG1 4.07Å; I27-I37 HydrophobicContact CG1-CG1 4.35Å; I27-I37 CarbonylContact O-C 3.59Å; I27-I37 WeakPolarHBondContact O-CA 3.39Å; I27-V38 HydrophobicContact CB-CB 4.31Å; I27-V38 WeakPolarHBondContact CB-O 3.41Å; I27-V38 PolarHBondContact O-N 3.15Å; I27-P40 HydrophobicContact CG2-CB 4.4Å | ||
| 28 | I | 96.8 | Very high | 95.4 | Very high | 38 Ų | 38 | 78.8 Ų | 78.8 | 20% | 0.195 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 137.3 | 178.1 | -52.2 | -64 | 0 | 0 | 0 | 109.4 | V12 M30 T35 T36 I37 W57 | V12-I28 HydrophobicContact CG2-CB 3.84Å; V12-I28 HydrophobicContact CG2-CG1 4.12Å; V12-I28 HydrophobicContact CG2-CG2 3.46Å; V12-I28 VanDerWaalsContact CG2-CG2 3.46Å; I28-M30 HydrophobicContact CG2-CE 4.43Å; I28-T35 HydrophobicContact CG2-CG2 3.65Å; I28-T36 CarbonylContact C-O 3.52Å; I28-T36 WeakPolarHBondContact CA-O 3.43Å; I28-I37 HydrophobicContact CD1-CB 3.72Å; I28-I37 HydrophobicContact CD1-CD1 3.77Å; I28-I37 HydrophobicContact CD1-CG1 3.63Å; I28-W57 HydrophobicContact CG2-CZ3 4.47Å; I28-W57 WeakPolarHBondContact O-CH2 3.32Å; I28-W57 WeakPolarHBondContact O-CZ3 3.26Å |
| 29 | Q | 94.3 | Very high | 95.3 | Very high | 126 Ų | 126 | 73.8 Ų | 73.8 | 59% | 0.589 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.1 | 168.1 | -68.8 | -179.3 | -29.8 | 0 | 0 | 108.6 | T35 T36 | Q29-T35 CarbonylContact O-C 3.6Å; Q29-T35 WeakPolarHBondContact O-CA 3.29Å; Q29-T36 PolarHBondContact N-O 2.92Å; Q29-T36 PolarHBondContact O-N 2.89Å |
| 30 | M | 94.4 | Very high | 95.1 | Very high | 37 Ų | 37 | 76.1 Ų | 76.1 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.4 | 176.5 | -69.5 | 179.3 | 171.5 | 0 | 0 | 109.7 | V10 V12 I28 T34 T35 W57 | V10-M30 HydrophobicContact CG2-CE 4.02Å; V12-M30 HydrophobicContact CB-CE 3.92Å; V12-M30 HydrophobicContact CB-SD 4.49Å; V12-M30 HydrophobicContact CG2-CE 3.58Å; I28-M30 HydrophobicContact CG2-CE 4.43Å; M30-T34 CarbonylContact C-O 3.29Å; M30-T34 VanDerWaalsContact CA-O 3.32Å; M30-T34 WeakPolarHBondContact CA-O 3.26Å; M30-T35 HydrophobicContact CE-CG2 3.88Å; M30-T35 WeakPolarHBondContact CE-OG1 3.39Å; M30-T35 HydrophobicContact CG-CG2 4.17Å; M30-W57 HydrophobicContact CB-CE3 4.31Å; M30-W57 HydrophobicContact CG-CE3 4.1Å; M30-W57 HydrophobicContact SD-CB 4.21Å; M30-W57 HydrophobicContact SD-CE3 4.07Å |
| 31 | S | 91.9 | Very high | 95.2 | Very high | 92 Ų | 92 | 79.8 Ų | 79.8 | 64% | 0.643 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 112.6 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | S33 T34 | S31-S33 PolarHBondContact O-N 3.42Å; S31-T34 PolarHBondContact N-O 2.88Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 2.92Å |
| 32 | G | 92 | Very high | 95 | Very high | 70 Ų | 70 | 79.7 Ų | 79.7 | 72% | 0.722 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | -124.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T34 | G32-T34 VanDerWaalsContact C-N 3.3Š|
| 33 | S | 93 | Very high | 94.7 | Very high | 58 Ų | 58 | 76.6 Ų | 76.6 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -3.7 | 176.1 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | S31 F52 S55 | S31-S33 PolarHBondContact O-N 3.42Å; S33-F52 VanDerWaalsContact CB-O 3.26Å; S33-F52 WeakPolarHBondContact CB-O 3.44Å; S33-F52 PolarHBondContact O-N 2.85Å; S33-S55 PolarHBondContact O-OG 2.84Å |
| 34 | T | 94.9 | Very high | 94.6 | Very high | 38 Ų | 38 | 79.9 Ų | 79.9 | 23% | 0.233 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.1 | -174.3 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | M30 S31 G32 F50 S51 | M30-T34 CarbonylContact C-O 3.29Å; M30-T34 VanDerWaalsContact CA-O 3.32Å; M30-T34 WeakPolarHBondContact CA-O 3.26Å; S31-T34 PolarHBondContact N-O 2.88Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 2.92Å; G32-T34 VanDerWaalsContact C-N 3.3Å; T34-F50 CarbonylContact C-O 3.58Å; T34-F50 WeakPolarHBondContact CA-O 3.29Å; T34-S51 PolarHBondContact OG1-OG 2.97Å |
| 35 | T | 96.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 82.1 Ų | 82.1 | 9% | 0.086 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.9 | 173 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | V10 I28 Q29 M30 F50 S55 | V10-T35 WeakPolarHBondContact CG2-OG1 3.31Å; I28-T35 HydrophobicContact CG2-CG2 3.65Å; Q29-T35 CarbonylContact O-C 3.6Å; Q29-T35 WeakPolarHBondContact O-CA 3.29Å; M30-T35 HydrophobicContact CE-CG2 3.88Å; M30-T35 WeakPolarHBondContact CE-OG1 3.39Å; M30-T35 HydrophobicContact CG-CG2 4.17Å; T35-F50 PolarHBondContact N-O 2.94Å; T35-F50 PolarHBondContact O-N 2.81Å; T35-S55 PolarHBondContact OG1-OG 3.41Å |
| 36 | T | 97.3 | Very high | 94.6 | Very high | 23 Ų | 23 | 79.5 Ų | 79.5 | 14% | 0.141 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.9 | -176.7 | -52.3 | 0 | 0 | 0 | 0 | 110.1 | I28 Q29 P47 K48 | I28-T36 CarbonylContact C-O 3.52Å; I28-T36 WeakPolarHBondContact CA-O 3.43Å; Q29-T36 PolarHBondContact N-O 2.92Å; Q29-T36 PolarHBondContact O-N 2.89Å; T36-P47 HydrophobicContact CG2-CB 3.25Å; T36-P47 HydrophobicContact CG2-CG 4.35Å; T36-K48 CarbonylContact C-O 3.22Å; T36-K48 VanDerWaalsContact CA-O 3.29Å; T36-K48 WeakPolarHBondContact CA-O 3.48Å |
| 37 | I | 97 | Very high | 94.7 | Very high | 62 Ų | 62 | 79.2 Ų | 79.2 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.4 | 178.2 | -174.8 | 170.1 | 0 | 0 | 0 | 111.7 | I27 I28 K48 F50 | I27-I37 HydrophobicContact CD1-CD1 4.16Å; I27-I37 HydrophobicContact CD1-CG1 4.07Å; I27-I37 HydrophobicContact CG1-CG1 4.35Å; I27-I37 CarbonylContact O-C 3.59Å; I27-I37 WeakPolarHBondContact O-CA 3.39Å; I28-I37 HydrophobicContact CD1-CB 3.72Å; I28-I37 HydrophobicContact CD1-CD1 3.77Å; I28-I37 HydrophobicContact CD1-CG1 3.63Å; I37-K48 HydrophobicContact CG2-CB 3.86Å; I37-K48 PolarHBondContact N-O 2.77Å; I37-K48 PolarHBondContact O-N 2.81Å; I37-F50 HydrophobicContact CG2-CD2 4.5Å; I37-F50 HydrophobicContact CG2-CE2 3.86Å |
| 38 | V | 97.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 83.4 Ų | 83.4 | 22% | 0.218 | 46% | 0.459 | C | S | . | . | trans | -95.8 | 136.8 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | I27 P40 P47 | I27-V38 HydrophobicContact CB-CB 4.31Å; I27-V38 WeakPolarHBondContact CB-O 3.41Å; I27-V38 PolarHBondContact O-N 3.15Å; V38-P40 WeakPolarHBondContact O-CD 3.26Å; V38-P47 HydrophobicContact CG2-CB 4.06Å; V38-P47 HydrophobicContact CG2-CG 3.94Å | ||
| 39 | N | 96.1 | Very high | 94.7 | Very high | 61 Ų | 61 | 85.3 Ų | 85.3 | 33% | 0.326 | 48% | 0.475 | S | S | . | . | trans | -81.3 | 114.2 | 169.7 | -176.8 | -6.1 | 0 | 0 | 0 | 109.8 | K41 Q42 | N39-K41 PolarHBondContact O-N 2.98Å; N39-K41 VanDerWaalsContact O-N 3.15Å; N39-K41 WeakPolarHBondContact OD1-CB 3.38Å; N39-K41 PolarHBondContact OD1-N 2.94Å; N39-Q42 HydrophobicContact CB-CB 4.34Å; N39-Q42 PolarHBondContact ND2-OE1 3.28Å; N39-Q42 CarbonylContact O-C 3.52Å; N39-Q42 PolarHBondContact O-N 3.37Å | ||
| 40 | P | 93.5 | Very high | 94.9 | Very high | 93 Ų | 93 | 84.3 Ų | 84.3 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.7 | -179.1 | 27.2 | -35 | 0 | 0 | 0 | 113.2 | I27 V38 | I27-P40 HydrophobicContact CG2-CB 4.4Å; V38-P40 WeakPolarHBondContact O-CD 3.26Å |
| 41 | K | 94.8 | Very high | 94.9 | Very high | 188 Ų | 188 | 86.8 Ų | 86.8 | 82% | 0.817 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -20.5 | 175.7 | -62.1 | -174.9 | 178.9 | -178.6 | 0 | 113 | N39 | N39-K41 PolarHBondContact O-N 2.98Å; N39-K41 VanDerWaalsContact O-N 3.15Å; N39-K41 WeakPolarHBondContact OD1-CB 3.38Å; N39-K41 PolarHBondContact OD1-N 2.94Å |
| 42 | Q | 94.8 | Very high | 95 | Very high | 88 Ų | 88 | 85.3 Ų | 85.3 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | trans | -136.6 | 66.1 | -176.2 | -68.8 | 171.8 | -52.3 | 0 | 0 | 109.9 | N39 K44 E45 | N39-Q42 HydrophobicContact CB-CB 4.34Å; N39-Q42 PolarHBondContact ND2-OE1 3.28Å; N39-Q42 CarbonylContact O-C 3.52Å; N39-Q42 PolarHBondContact O-N 3.37Å; Q42-K44 PolarHBondContact O-N 3.24Å; Q42-K44 VanDerWaalsContact O-N 3.14Å; Q42-E45 HydrophobicContact CB-CB 4.39Å; Q42-E45 HydrophobicContact CB-CG 3.93Å; Q42-E45 VanDerWaalsContact CD-CD 3.48Å; Q42-E45 PolarHBondContact NE2-OE1 3.06Å; Q42-E45 PolarHBondContact O-N 2.75Å; Q42-E45 VanDerWaalsContact O-N 3.13Å; Q42-E45 PolarHBondContact OE1-OE1 3.06Å; Q42-E45 PolarHBondContact OE1-OE2 2.77Å | ||
| 43 | P | 89.8 | Confident | 95.2 | Very high | 97 Ų | 97 | 85.7 Ų | 85.7 | 63% | 0.63 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.8 | -171.9 | 29.2 | -37 | 0 | 0 | 0 | 114.2 | ||
| 44 | K | 92.3 | Very high | 95.2 | Very high | 213 Ų | 213 | 87.5 Ų | 87.5 | 93% | 0.926 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -13.4 | 177.3 | -60.6 | -177.5 | -178.1 | -179.7 | 0 | 112.8 | Q42 | Q42-K44 PolarHBondContact O-N 3.24Å; Q42-K44 VanDerWaalsContact O-N 3.14Å |
| 45 | E | 94.8 | Very high | 95.2 | Very high | 96 Ų | 96 | 86.7 Ų | 86.7 | 45% | 0.449 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -73.5 | 148.7 | 175.6 | -72.7 | -178.1 | -177.8 | 0 | 0 | 110.4 | Q42 P47 | Q42-E45 HydrophobicContact CB-CB 4.39Å; Q42-E45 HydrophobicContact CB-CG 3.93Å; Q42-E45 VanDerWaalsContact CD-CD 3.48Å; Q42-E45 PolarHBondContact NE2-OE1 3.06Å; Q42-E45 PolarHBondContact O-N 2.75Å; Q42-E45 VanDerWaalsContact O-N 3.13Å; Q42-E45 PolarHBondContact OE1-OE1 3.06Å; Q42-E45 PolarHBondContact OE1-OE2 2.77Å; E45-P47 WeakPolarHBondContact O-CD 3.33Å |
| 46 | T | 94.8 | Very high | 95.1 | Very high | 129 Ų | 129 | 91.6 Ų | 91.6 | 79% | 0.791 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 124.9 | 173.3 | -54.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 47 | P | 96.1 | Very high | 94.9 | Very high | 50 Ų | 50 | 93.8 Ų | 93.8 | 33% | 0.325 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 146.2 | 176.7 | -27.1 | 37.2 | 0 | 0 | 0 | 111.8 | T36 V38 E45 | T36-P47 HydrophobicContact CG2-CB 3.25Å; T36-P47 HydrophobicContact CG2-CG 4.35Å; V38-P47 HydrophobicContact CG2-CB 4.06Å; V38-P47 HydrophobicContact CG2-CG 3.94Å; E45-P47 WeakPolarHBondContact O-CD 3.33Å |
| 48 | K | 97.2 | Very high | 94.7 | Very high | 142 Ų | 142 | 92.3 Ų | 92.3 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.7 | -179.9 | -63.6 | -178.8 | -178.9 | 179.8 | 0 | 109.8 | T36 I37 F50 | T36-K48 CarbonylContact C-O 3.22Å; T36-K48 VanDerWaalsContact CA-O 3.29Å; T36-K48 WeakPolarHBondContact CA-O 3.48Å; I37-K48 HydrophobicContact CG2-CB 3.86Å; I37-K48 PolarHBondContact N-O 2.77Å; I37-K48 PolarHBondContact O-N 2.81Å; K48-F50 HydrophobicContact CB-CE2 3.89Å; K48-F50 HydrophobicContact CB-CZ 4.34Å |
| 49 | S | 97.1 | Very high | 94.3 | Very high | 78 Ų | 78 | 92 Ų | 92 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.6 | -178 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 50 | F | 96.9 | Very high | 93.7 | Very high | 106 Ų | 106 | 92.3 Ų | 92.3 | 47% | 0.465 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135 | 179.1 | -60.2 | -88.4 | 0 | 0 | 0 | 109.7 | T34 T35 I37 K48 F52 | T34-F50 CarbonylContact C-O 3.58Å; T34-F50 WeakPolarHBondContact CA-O 3.29Å; T35-F50 PolarHBondContact N-O 2.94Å; T35-F50 PolarHBondContact O-N 2.81Å; I37-F50 HydrophobicContact CG2-CD2 4.5Å; I37-F50 HydrophobicContact CG2-CE2 3.86Å; K48-F50 HydrophobicContact CB-CE2 3.89Å; K48-F50 HydrophobicContact CB-CZ 4.34Å; F50-F52 HydrophobicContact CB-CE2 3.59Å; F50-F52 HydrophobicContact CB-CZ 3.78Å |
| 51 | S | 95.3 | Very high | 92.1 | Very high | 89 Ų | 89 | 92.3 Ų | 92.3 | 62% | 0.622 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.8 | 178 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | T34 | T34-S51 PolarHBondContact OG1-OG 2.97Å |
| 52 | F | 95 | Very high | 90.2 | Very high | 61 Ų | 61 | 89.3 Ų | 89.3 | 27% | 0.268 | 47% | 0.473 | S | S | . | . | trans | -128.9 | 171.8 | -178.4 | -59.6 | -77 | 0 | 0 | 0 | 110.5 | V8 V10 S33 F50 Y54 | V8-F52 HydrophobicContact CB-CD1 4.26Å; V8-F52 HydrophobicContact CG1-CD1 3.62Å; V8-F52 HydrophobicContact CG1-CE1 4.12Å; V10-F52 HydrophobicContact CB-CD2 4.23Å; V10-F52 HydrophobicContact CB-CE2 4.29Å; V10-F52 HydrophobicContact CG1-CD1 3.97Å; V10-F52 HydrophobicContact CG1-CD2 3.73Å; V10-F52 HydrophobicContact CG1-CE1 3.82Å; V10-F52 HydrophobicContact CG1-CE2 3.58Å; V10-F52 HydrophobicContact CG1-CG 3.92Å; V10-F52 HydrophobicContact CG1-CZ 3.62Å; V10-F52 HydrophobicContact CG2-CD2 3.42Å; V10-F52 VanDerWaalsContact CG2-CD2 3.42Å; V10-F52 HydrophobicContact CG2-CE2 3.75Å; V10-F52 HydrophobicContact CG2-CG 4.07Å; S33-F52 VanDerWaalsContact CB-O 3.26Å; S33-F52 WeakPolarHBondContact CB-O 3.44Å; S33-F52 PolarHBondContact O-N 2.85Å; F50-F52 HydrophobicContact CB-CE2 3.59Å; F50-F52 HydrophobicContact CB-CZ 3.78Å; F52-Y54 VanDerWaalsContact C-N 3.25Å; F52-Y54 PolarHBondContact O-N 2.9Å | ||
| 53 | D | 95.1 | Very high | 88.2 | Confident | 78 Ų | 78 | 94.2 Ų | 94.2 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -64.7 | -36.6 | 170.8 | -60.4 | -83 | 0 | 0 | 0 | 110.9 | K7 V8 | K7-D53 VanDerWaalsContact CA-OD2 3.26Å; K7-D53 WeakPolarHBondContact CA-OD2 3.35Å; K7-D53 HydrophobicContact CB-CB 4.27Å; V8-D53 PolarHBondContact N-OD2 2.95Å; V8-D53 WeakPolarHBondContact O-CB 3.38Å; V8-D53 PolarHBondContact O-N 3.34Å |
| 54 | Y | 93.4 | Very high | 86.1 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 38% | 0.376 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 133.7 | 177.7 | -52 | -78.8 | 0 | 0 | 0 | 111.9 | K7 V8 A9 V10 F52 Y56 | K7-Y54 HydrophobicContact CD-CE2 3.84Å; K7-Y54 PolarHBondContact NZ-OH 3.33Å; K7-Y54 VanDerWaalsContact NZ-OH 3.09Å; V8-Y54 PolarHBondContact O-N 2.92Å; A9-Y54 CarbonylContact C-O 3.57Å; A9-Y54 VanDerWaalsContact CA-O 3.29Å; A9-Y54 WeakPolarHBondContact CA-O 3.45Å; A9-Y54 HydrophobicContact CB-CD2 4.27Å; V10-Y54 PolarHBondContact N-O 3.21Å; F52-Y54 VanDerWaalsContact C-N 3.25Å; F52-Y54 PolarHBondContact O-N 2.9Å; Y54-Y56 HydrophobicContact CG-CE2 4.35Å |
| 55 | S | 94.9 | Very high | 83.7 | Confident | 20 Ų | 20 | 88.1 Ų | 88.1 | 14% | 0.14 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 107 | 171.6 | -71.6 | 0 | 0 | 0 | 0 | 109.3 | V10 S33 T35 | V10-S55 WeakPolarHBondContact CG2-OG 3.46Å; S33-S55 PolarHBondContact O-OG 2.84Å; T35-S55 PolarHBondContact OG1-OG 3.41Å |
| 56 | Y | 94 | Very high | 80.9 | Confident | 117 Ų | 117 | 91.8 Ų | 91.8 | 46% | 0.459 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.7 | -176 | -62.8 | -67.1 | 0 | 0 | 0 | 111.6 | A9 V10 R11 V12 Y54 | A9-Y56 HydrophobicContact CB-CD2 4.47Å; A9-Y56 HydrophobicContact CB-CE2 4.05Å; V10-Y56 PolarHBondContact O-N 3.16Å; R11-Y56 VanDerWaalsContact CA-O 3.31Å; R11-Y56 WeakPolarHBondContact CA-O 3.26Å; V12-Y56 PolarHBondContact N-O 3.22Å; Y54-Y56 HydrophobicContact CG-CE2 4.35Å |
| 57 | W | 92.6 | Very high | 80.2 | Confident | 70 Ų | 70 | 90 Ų | 90 | 27% | 0.265 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 114.7 | 168.8 | -172.5 | -102.5 | 0 | 0 | 0 | 110.1 | V12 I28 M30 H59 T60 H65 | V12-W57 HydrophobicContact CB-CE3 4.06Å; V12-W57 HydrophobicContact CB-CZ3 4.3Å; V12-W57 HydrophobicContact CG1-CD2 4.47Å; V12-W57 HydrophobicContact CG1-CE3 3.85Å; V12-W57 HydrophobicContact CG1-CH2 4.4Å; V12-W57 HydrophobicContact CG1-CZ3 3.8Å; V12-W57 HydrophobicContact CG2-CZ3 4.44Å; I28-W57 HydrophobicContact CG2-CZ3 4.47Å; I28-W57 WeakPolarHBondContact O-CH2 3.32Å; I28-W57 WeakPolarHBondContact O-CZ3 3.26Å; M30-W57 HydrophobicContact CB-CE3 4.31Å; M30-W57 HydrophobicContact CG-CE3 4.1Å; M30-W57 HydrophobicContact SD-CB 4.21Å; M30-W57 HydrophobicContact SD-CE3 4.07Å; W57-H59 HydrophobicContact CD2-CB 3.87Å; W57-H59 HydrophobicContact CE3-CB 4.24Å; W57-H59 HydrophobicContact CH2-CB 3.67Å; W57-H59 AromaticContact CH2-CD2 3.95Å; W57-H59 AromaticContact CH2-CG 3.95Å; W57-H59 HydrophobicContact CZ2-CB 3.23Å; W57-H59 AromaticContact CZ2-CD2 3.77Å; W57-H59 AromaticContact CZ2-CG 3.8Å; W57-H59 HydrophobicContact CZ3-CB 4.15Å; W57-T60 PolarHBondContact NE1-OG1 3.09Å; W57-H65 AromaticContact CD1-CE1 3.88Å; W57-H65 AromaticContact CD1-NE2 3.1Å; W57-H65 AromaticContact CG-NE2 3.77Å; W57-H65 AromaticContact NE1-NE2 3.61Å |
| 58 | S | 92.3 | Very high | 79.4 | Confident | 31 Ų | 31 | 92.1 Ų | 92.1 | 22% | 0.217 | 52% | 0.52 | C | S | . | . | trans | -127.1 | 23.4 | 169.2 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | R11 V12 P14 | R11-S58 PolarHBondContact NE-OG 3.47Å; R11-S58 PolarHBondContact NH2-OG 3.2Å; R11-S58 VanDerWaalsContact NH2-OG 3.15Å; V12-S58 CarbonylContact O-C 3.59Å; V12-S58 VanDerWaalsContact O-C 3.29Å; V12-S58 VanDerWaalsContact O-CA 3.29Å; V12-S58 WeakPolarHBondContact O-CA 3.47Å; V12-S58 VanDerWaalsContact O-CB 3.26Å; V12-S58 WeakPolarHBondContact O-CB 3.4Å; V12-S58 PolarHBondContact O-N 3.07Å; P14-S58 WeakPolarHBondContact CD-O 3.33Å; P14-S58 WeakPolarHBondContact CG-O 3.24Å | ||
| 59 | H | 89.4 | Confident | 78.4 | Confident | 29 Ų | 29 | 89.3 Ų | 89.3 | 13% | 0.134 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -71.4 | -34 | -178.3 | -158.1 | 53.8 | 0 | 0 | 0 | 112.6 | V12 R13 F15 C26 W57 | V12-H59 HydrophobicContact CG1-CB 3.5Å; R13-H59 PolarHBondContact O-ND1 3.41Å; F15-H59 AromaticContact CD1-CE1 3.9Å; F15-H59 AromaticContact CD2-CE1 3.73Å; F15-H59 AromaticContact CD2-NE2 3.79Å; F15-H59 AromaticContact CE1-CE1 3.83Å; F15-H59 AromaticContact CE2-CE1 3.66Å; F15-H59 AromaticContact CE2-NE2 3.43Å; F15-H59 WeakPolarHBondContact CE2-NE2 3.45Å; F15-H59 AromaticContact CG-CE1 3.86Å; F15-H59 AromaticContact CZ-CE1 3.71Å; F15-H59 AromaticContact CZ-NE2 3.73Å; C26-H59 WeakPolarHBondContact CB-NE2 3.31Å; C26-H59 PolarHBondContact SG-NE2 2.92Å; C26-H59 VanDerWaalsContact SG-NE2 3.37Å; W57-H59 HydrophobicContact CD2-CB 3.87Å; W57-H59 HydrophobicContact CE3-CB 4.24Å; W57-H59 HydrophobicContact CH2-CB 3.67Å; W57-H59 AromaticContact CH2-CD2 3.95Å; W57-H59 AromaticContact CH2-CG 3.95Å; W57-H59 HydrophobicContact CZ2-CB 3.23Å; W57-H59 AromaticContact CZ2-CD2 3.77Å; W57-H59 AromaticContact CZ2-CG 3.8Å; W57-H59 HydrophobicContact CZ3-CB 4.15Å |
| 60 | T | 84.7 | Confident | 77.3 | Confident | 68 Ų | 68 | 89.9 Ų | 89.9 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -131.4 | 154.7 | -176.1 | 54.5 | 0 | 0 | 0 | 0 | 109.3 | W57 | W57-T60 PolarHBondContact NE1-OG1 3.09Š|
| 61 | S | 59.7 | Low | 76.1 | Confident | 92 Ų | 92 | 88.9 Ų | 88.9 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | trans | -60.3 | 158.3 | 171.5 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | E63 G64 | S61-E63 PolarHBondContact O-N 3.26Å; S61-G64 PolarHBondContact O-N 2.89Å | ||
| 62 | P | 54.8 | Low | 74.8 | Confident | 125 Ų | 125 | 88.9 Ų | 88.9 | 81% | 0.812 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -58.7 | -11 | -172.6 | -23.7 | 33.7 | 0 | 0 | 0 | 116.2 | G64 | P62-G64 VanDerWaalsContact C-N 3.26Å; P62-G64 PolarHBondContact O-N 3.48Å |
| 63 | E | 51.7 | Low | 73.3 | Confident | 191 Ų | 191 | 90.9 Ų | 90.9 | 89% | 0.893 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -79.4 | -3.2 | 179.3 | -61.3 | -174.2 | 140.7 | 0 | 0 | 113.9 | S61 | S61-E63 PolarHBondContact O-N 3.26Š|
| 64 | G | 46 | Very low | 71.7 | Confident | 53 Ų | 53 | 91.9 Ų | 91.9 | 55% | 0.546 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -92.8 | 4.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S61 P62 | S61-G64 PolarHBondContact O-N 2.89Å; P62-G64 VanDerWaalsContact C-N 3.26Å; P62-G64 PolarHBondContact O-N 3.48Å |
| 65 | H | 43 | Very low | 69.8 | Low | 129 Ų | 129 | 91.6 Ų | 91.6 | 60% | 0.597 | 55% | 0.547 | S | S | * | . | trans | -112.4 | 82.4 | 175.1 | -70.2 | -76.3 | 0 | 0 | 0 | 109.7 | W57 | W57-H65 AromaticContact CD1-CE1 3.88Å; W57-H65 AromaticContact CD1-NE2 3.1Å; W57-H65 AromaticContact CG-NE2 3.77Å; W57-H65 AromaticContact NE1-NE2 3.61Å | ||
| 66 | A | 35 | Very low | 67.6 | Low | 174 Ų | 174 | 98.1 Ų | 98.1 | 100% | 1.438 | 58% | 0.584 | S | S | * | * | trans | -98.1 | 0 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 66 of 66 residues in 45.6 ms
(Link to these results)