| 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 | 60.4 | Low | 80.4 | Confident | 193 Ų | 193 | 125.6 Ų | 125.6 | 95% | 0.951 | 63% | 0.625 | S | S | * | * | 0 | -21.5 | 0 | -68.6 | -171.5 | 97.8 | 0 | 0 | 114.8 | |||||
| 2 | K | 65.6 | Low | 81.3 | Confident | 189 Ų | 189 | 123.3 Ų | 123.3 | 82% | 0.822 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.8 | -30.7 | -179.9 | -67.5 | -176.5 | 179.4 | -180 | 0 | 114.6 | ||
| 3 | T | 70.5 | Confident | 82.1 | Confident | 98 Ų | 98 | 120.8 Ų | 120.8 | 60% | 0.601 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.3 | -40.2 | -178.1 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | L5 V6 E7 | T3-L5 VanDerWaalsContact C-N 3.34Å; T3-L5 PolarHBondContact O-N 3.45Å; T3-V6 PolarHBondContact O-N 3.22Å; T3-V6 VanDerWaalsContact O-N 3.14Å; T3-E7 PolarHBondContact O-N 3.3Å; T3-E7 VanDerWaalsContact O-N 3.11Å |
| 4 | Q | 78.6 | Confident | 82.8 | Confident | 108 Ų | 108 | 120.1 Ų | 120.1 | 51% | 0.505 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60.9 | -40.8 | 179.8 | -71.4 | 176.6 | -26.4 | 0 | 0 | 112.4 | V6 E7 F8 | Q4-V6 VanDerWaalsContact C-N 3.29Å; Q4-V6 PolarHBondContact O-N 3.39Å; Q4-E7 PolarHBondContact O-N 3Å; Q4-F8 WeakPolarHBondContact O-CD2 3.07Å; Q4-F8 PolarHBondContact O-N 3.1Å |
| 5 | L | 80.7 | Confident | 83.3 | Confident | 131 Ų | 131 | 116.5 Ų | 116.5 | 69% | 0.686 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.9 | -36 | 177.4 | -85.4 | 164.5 | 0 | 0 | 0 | 112.6 | T3 F9 | T3-L5 VanDerWaalsContact C-N 3.34Å; T3-L5 PolarHBondContact O-N 3.45Å; L5-F9 WeakPolarHBondContact O-CB 3.46Å; L5-F9 PolarHBondContact O-N 3.36Å; L5-F9 VanDerWaalsContact O-N 3.1Å |
| 6 | V | 85.8 | Confident | 83.8 | Confident | 93 Ų | 93 | 114.2 Ų | 114.2 | 56% | 0.564 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69 | -42.7 | 177.5 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | T3 Q4 F9 T10 | T3-V6 PolarHBondContact O-N 3.22Å; T3-V6 VanDerWaalsContact O-N 3.14Å; Q4-V6 VanDerWaalsContact C-N 3.29Å; Q4-V6 PolarHBondContact O-N 3.39Å; V6-F9 PolarHBondContact O-N 3.11Å; V6-T10 HydrophobicContact CG1-CG2 4.48Å; V6-T10 WeakPolarHBondContact O-CG2 3.36Å; V6-T10 PolarHBondContact O-N 3.36Å; V6-T10 PolarHBondContact O-OG1 3.02Å |
| 7 | E | 85.1 | Confident | 84.1 | Confident | 113 Ų | 113 | 113.5 Ų | 113.5 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.9 | -41.9 | 176.9 | -70 | 168.5 | -168.3 | 0 | 0 | 112.3 | T3 Q4 F9 T10 I11 | T3-E7 PolarHBondContact O-N 3.3Å; T3-E7 VanDerWaalsContact O-N 3.11Å; Q4-E7 PolarHBondContact O-N 3Å; E7-F9 VanDerWaalsContact C-N 3.32Å; E7-F9 PolarHBondContact O-N 2.7Å; E7-T10 WeakPolarHBondContact CA-OG1 3.24Å; E7-T10 PolarHBondContact O-N 2.99Å; E7-T10 PolarHBondContact O-OG1 3.26Å; E7-I11 WeakPolarHBondContact O-CD1 3.37Å; E7-I11 VanDerWaalsContact O-CG1 3.24Å; E7-I11 WeakPolarHBondContact O-CG1 3.23Å; E7-I11 PolarHBondContact O-N 3.5Å |
| 8 | F | 87 | Confident | 84.3 | Confident | 144 Ų | 144 | 111.4 Ų | 111.4 | 63% | 0.632 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.1 | -38.4 | 174.4 | -78.1 | -65.5 | 0 | 0 | 0 | 112.1 | Q4 L12 | Q4-F8 WeakPolarHBondContact O-CD2 3.07Å; Q4-F8 PolarHBondContact O-N 3.1Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 PolarHBondContact O-N 3.14Å |
| 9 | F | 89.4 | Confident | 84.3 | Confident | 133 Ų | 133 | 111.9 Ų | 111.9 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 177.9 | -171.5 | -96.4 | 0 | 0 | 0 | 112.3 | L5 V6 E7 L12 L13 | L5-F9 WeakPolarHBondContact O-CB 3.46Å; L5-F9 PolarHBondContact O-N 3.36Å; L5-F9 VanDerWaalsContact O-N 3.1Å; V6-F9 PolarHBondContact O-N 3.11Å; E7-F9 VanDerWaalsContact C-N 3.32Å; E7-F9 PolarHBondContact O-N 2.7Å; F9-L12 PolarHBondContact O-N 3.49Å; F9-L13 HydrophobicContact CE1-CD1 4.08Å; F9-L13 HydrophobicContact CZ-CD1 4.48Å; F9-L13 WeakPolarHBondContact O-CB 3.37Å; F9-L13 PolarHBondContact O-N 3.43Å |
| 10 | T | 89.8 | Confident | 84.2 | Confident | 77 Ų | 77 | 113.4 Ų | 113.4 | 47% | 0.472 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.6 | -40.6 | 177.5 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | V6 E7 L13 L14 | V6-T10 HydrophobicContact CG1-CG2 4.48Å; V6-T10 WeakPolarHBondContact O-CG2 3.36Å; V6-T10 PolarHBondContact O-N 3.36Å; V6-T10 PolarHBondContact O-OG1 3.02Å; E7-T10 WeakPolarHBondContact CA-OG1 3.24Å; E7-T10 PolarHBondContact O-N 2.99Å; E7-T10 PolarHBondContact O-OG1 3.26Å; T10-L13 PolarHBondContact O-N 3.04Å; T10-L14 VanDerWaalsContact O-CB 3.32Å; T10-L14 WeakPolarHBondContact O-CB 3.45Å; T10-L14 PolarHBondContact O-N 3.25Å |
| 11 | I | 91.2 | Very high | 84 | Confident | 103 Ų | 103 | 111.1 Ų | 111.1 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.3 | -47.5 | 175 | -66.8 | 165.2 | 0 | 0 | 0 | 110.2 | E7 L13 L14 T15 | E7-I11 WeakPolarHBondContact O-CD1 3.37Å; E7-I11 VanDerWaalsContact O-CG1 3.24Å; E7-I11 WeakPolarHBondContact O-CG1 3.23Å; E7-I11 PolarHBondContact O-N 3.5Å; I11-L13 PolarHBondContact O-N 3.38Å; I11-L14 PolarHBondContact O-N 2.96Å; I11-T15 HydrophobicContact CG2-CG2 4.39Å; I11-T15 WeakPolarHBondContact O-CG2 3.49Å; I11-T15 PolarHBondContact O-N 3.06Å; I11-T15 PolarHBondContact O-OG1 3.44Å |
| 12 | L | 91.8 | Very high | 84.8 | Confident | 98 Ų | 98 | 106 Ų | 106 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58 | -48.8 | 178.1 | -172.8 | 105.6 | 0 | 0 | 0 | 111.2 | F8 F9 L14 T15 I16 | F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 PolarHBondContact O-N 3.14Å; F9-L12 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.44Å; L12-T15 PolarHBondContact O-N 3.29Å; L12-T15 PolarHBondContact O-OG1 2.96Å; L12-I16 HydrophobicContact CD2-CD1 4.03Å; L12-I16 HydrophobicContact CG-CD1 4.15Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.23Å |
| 13 | L | 92 | Very high | 85.1 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 179.8 | -170.2 | 141.4 | 0 | 0 | 0 | 111.8 | F9 T10 I11 I16 L17 | F9-L13 HydrophobicContact CE1-CD1 4.08Å; F9-L13 HydrophobicContact CZ-CD1 4.48Å; F9-L13 WeakPolarHBondContact O-CB 3.37Å; F9-L13 PolarHBondContact O-N 3.43Å; T10-L13 PolarHBondContact O-N 3.04Å; I11-L13 PolarHBondContact O-N 3.38Å; L13-I16 PolarHBondContact O-N 3.45Å; L13-L17 WeakPolarHBondContact O-CB 3.32Å; L13-L17 PolarHBondContact O-N 3.35Å |
| 14 | L | 91.5 | Very high | 84.9 | Confident | 112 Ų | 112 | 100.9 Ų | 100.9 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.7 | -40.1 | 177.5 | -166.7 | 137.9 | 0 | 0 | 0 | 111.8 | T10 I11 L12 L17 V18 | T10-L14 VanDerWaalsContact O-CB 3.32Å; T10-L14 WeakPolarHBondContact O-CB 3.45Å; T10-L14 PolarHBondContact O-N 3.25Å; I11-L14 PolarHBondContact O-N 2.96Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.44Å; L14-L17 PolarHBondContact O-N 3.41Å; L14-V18 HydrophobicContact CD2-CG2 4.18Å; L14-V18 WeakPolarHBondContact O-CG2 3.31Å; L14-V18 PolarHBondContact O-N 3.22Å |
| 15 | T | 90.2 | Very high | 84.1 | Confident | 66 Ų | 66 | 105 Ų | 105 | 41% | 0.405 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 176 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | I11 L12 L17 V18 L19 | I11-T15 HydrophobicContact CG2-CG2 4.39Å; I11-T15 WeakPolarHBondContact O-CG2 3.49Å; I11-T15 PolarHBondContact O-N 3.06Å; I11-T15 PolarHBondContact O-OG1 3.44Å; L12-T15 PolarHBondContact O-N 3.29Å; L12-T15 PolarHBondContact O-OG1 2.96Å; T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 2.94Å; T15-V18 PolarHBondContact O-N 2.91Å; T15-L19 VanDerWaalsContact O-CG 3.31Å; T15-L19 WeakPolarHBondContact O-CG 3.34Å; T15-L19 PolarHBondContact O-N 3.48Å |
| 16 | I | 90.6 | Very high | 83.2 | Confident | 79 Ų | 79 | 102.5 Ų | 102.5 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.7 | -67.4 | 166.4 | 0 | 0 | 0 | 110.1 | L12 L13 V18 L19 F20 | L12-I16 HydrophobicContact CD2-CD1 4.03Å; L12-I16 HydrophobicContact CG-CD1 4.15Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.23Å; L13-I16 PolarHBondContact O-N 3.45Å; I16-V18 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 3.05Å; I16-F20 HydrophobicContact CG2-CD2 3.73Å; I16-F20 HydrophobicContact CG2-CE2 3.54Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.4Å; I16-F20 PolarHBondContact O-N 2.91Å |
| 17 | L | 89 | Confident | 81.8 | Confident | 102 Ų | 102 | 101.6 Ų | 101.6 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | -179.8 | -146.5 | 162.8 | 0 | 0 | 0 | 111.5 | L13 L14 T15 L19 F20 V21 | L13-L17 WeakPolarHBondContact O-CB 3.32Å; L13-L17 PolarHBondContact O-N 3.35Å; L14-L17 PolarHBondContact O-N 3.41Å; T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 2.94Å; L17-L19 PolarHBondContact O-N 3.38Å; L17-F20 PolarHBondContact O-N 3.34Å; L17-V21 HydrophobicContact CD2-CG2 4.15Å; L17-V21 WeakPolarHBondContact O-CG2 3.43Å; L17-V21 PolarHBondContact O-N 3.48Å; L17-V21 VanDerWaalsContact O-N 3.09Å |
| 18 | V | 87.4 | Confident | 80.5 | Confident | 77 Ų | 77 | 99.2 Ų | 99.2 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L14 T15 I16 F20 V21 V22 | L14-V18 HydrophobicContact CD2-CG2 4.18Å; L14-V18 WeakPolarHBondContact O-CG2 3.31Å; L14-V18 PolarHBondContact O-N 3.22Å; T15-V18 PolarHBondContact O-N 2.91Å; I16-V18 PolarHBondContact O-N 2.9Å; V18-F20 PolarHBondContact O-N 3.04Å; V18-V21 PolarHBondContact O-N 3.47Å; V18-V22 HydrophobicContact CG1-CG2 4.36Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 3.1Å |
| 19 | L | 85.6 | Confident | 79 | Confident | 121 Ų | 121 | 98.6 Ų | 98.6 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 177.3 | -73.7 | 169.4 | 0 | 0 | 0 | 111.9 | T15 I16 L17 V21 V22 D23 | T15-L19 VanDerWaalsContact O-CG 3.31Å; T15-L19 WeakPolarHBondContact O-CG 3.34Å; T15-L19 PolarHBondContact O-N 3.48Å; I16-L19 PolarHBondContact O-N 3.05Å; L17-L19 PolarHBondContact O-N 3.38Å; L19-V21 VanDerWaalsContact C-N 3.31Å; L19-V21 PolarHBondContact O-N 2.91Å; L19-V22 PolarHBondContact O-N 3.13Å; L19-D23 WeakPolarHBondContact O-CB 3.34Å; L19-D23 PolarHBondContact O-N 3.42Å |
| 20 | F | 82.6 | Confident | 77.6 | Confident | 141 Ų | 141 | 101 Ų | 101 | 62% | 0.618 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.9 | -40.1 | 175 | -85.6 | -68.3 | 0 | 0 | 0 | 112.6 | I16 L17 V18 D23 V24 | I16-F20 HydrophobicContact CG2-CD2 3.73Å; I16-F20 HydrophobicContact CG2-CE2 3.54Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.4Å; I16-F20 PolarHBondContact O-N 2.91Å; L17-F20 PolarHBondContact O-N 3.34Å; V18-F20 PolarHBondContact O-N 3.04Å; F20-D23 PolarHBondContact O-N 3.24Å; F20-V24 VanDerWaalsContact O-CG2 3.24Å; F20-V24 WeakPolarHBondContact O-CG2 3.48Å; F20-V24 PolarHBondContact O-N 3.5Å; F20-V24 VanDerWaalsContact O-N 3.1Å |
| 21 | V | 79 | Confident | 76.1 | Confident | 66 Ų | 66 | 104 Ų | 104 | 40% | 0.4 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 178 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | L17 V18 L19 D23 V24 Y25 | L17-V21 HydrophobicContact CD2-CG2 4.15Å; L17-V21 WeakPolarHBondContact O-CG2 3.43Å; L17-V21 PolarHBondContact O-N 3.48Å; L17-V21 VanDerWaalsContact O-N 3.09Å; V18-V21 PolarHBondContact O-N 3.47Å; L19-V21 VanDerWaalsContact C-N 3.31Å; L19-V21 PolarHBondContact O-N 2.91Å; V21-D23 VanDerWaalsContact C-N 3.34Å; V21-D23 PolarHBondContact O-N 3.09Å; V21-V24 PolarHBondContact O-N 2.98Å; V21-Y25 HydrophobicContact CG1-CD2 3.62Å; V21-Y25 HydrophobicContact CG1-CE2 3.57Å; V21-Y25 WeakPolarHBondContact O-CD2 3.33Å; V21-Y25 PolarHBondContact O-N 3.4Å |
| 22 | V | 76.8 | Confident | 74.2 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 178 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | V18 L19 V24 Y25 S26 | V18-V22 HydrophobicContact CG1-CG2 4.36Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 3.1Å; L19-V22 PolarHBondContact O-N 3.13Å; V22-V24 PolarHBondContact O-N 2.95Å; V22-Y25 PolarHBondContact O-N 2.95Å; V22-S26 VanDerWaalsContact O-CB 3.25Å; V22-S26 WeakPolarHBondContact O-CB 3.29Å; V22-S26 PolarHBondContact O-N 3.31Å; V22-S26 PolarHBondContact O-OG 2.99Å |
| 23 | D | 72.5 | Confident | 72.6 | Confident | 99 Ų | 99 | 102.6 Ų | 102.6 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 179 | -153 | 19.4 | 0 | 0 | 0 | 110.7 | L19 F20 V21 Y25 S26 L27 | L19-D23 WeakPolarHBondContact O-CB 3.34Å; L19-D23 PolarHBondContact O-N 3.42Å; F20-D23 PolarHBondContact O-N 3.24Å; V21-D23 VanDerWaalsContact C-N 3.34Å; V21-D23 PolarHBondContact O-N 3.09Å; D23-Y25 VanDerWaalsContact C-N 3.32Å; D23-Y25 PolarHBondContact O-N 3.49Å; D23-S26 WeakPolarHBondContact CA-OG 3.25Å; D23-S26 PolarHBondContact O-N 3.36Å; D23-S26 VanDerWaalsContact O-N 3.13Å; D23-S26 PolarHBondContact O-OG 2.87Å; D23-L27 WeakPolarHBondContact O-CD1 3.36Å; D23-L27 PolarHBondContact O-N 3.32Å |
| 24 | V | 65.2 | Low | 70.9 | Confident | 80 Ų | 80 | 106.1 Ų | 106.1 | 49% | 0.485 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.8 | -37.5 | 175.4 | 173 | 0 | 0 | 0 | 0 | 113 | F20 V21 V22 | F20-V24 VanDerWaalsContact O-CG2 3.24Å; F20-V24 WeakPolarHBondContact O-CG2 3.48Å; F20-V24 PolarHBondContact O-N 3.5Å; F20-V24 VanDerWaalsContact O-N 3.1Å; V21-V24 PolarHBondContact O-N 2.98Å; V22-V24 PolarHBondContact O-N 2.95Å |
| 25 | Y | 62.9 | Low | 69.1 | Low | 195 Ų | 195 | 105.8 Ų | 105.8 | 77% | 0.765 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -82.5 | -19.9 | 177.5 | -77.4 | -66.4 | 0 | 0 | 0 | 113.7 | V21 V22 D23 | V21-Y25 HydrophobicContact CG1-CD2 3.62Å; V21-Y25 HydrophobicContact CG1-CE2 3.57Å; V21-Y25 WeakPolarHBondContact O-CD2 3.33Å; V21-Y25 PolarHBondContact O-N 3.4Å; V22-Y25 PolarHBondContact O-N 2.95Å; D23-Y25 VanDerWaalsContact C-N 3.32Å; D23-Y25 PolarHBondContact O-N 3.49Å |
| 26 | S | 60.8 | Low | 67.4 | Low | 78 Ų | 78 | 107.2 Ų | 107.2 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -87.4 | -16.4 | 177.7 | 73.8 | 0 | 0 | 0 | 0 | 113.7 | V22 D23 S28 | V22-S26 VanDerWaalsContact O-CB 3.25Å; V22-S26 WeakPolarHBondContact O-CB 3.29Å; V22-S26 PolarHBondContact O-N 3.31Å; V22-S26 PolarHBondContact O-OG 2.99Å; D23-S26 WeakPolarHBondContact CA-OG 3.25Å; D23-S26 PolarHBondContact O-N 3.36Å; D23-S26 VanDerWaalsContact O-N 3.13Å; D23-S26 PolarHBondContact O-OG 2.87Å; S26-S28 PolarHBondContact O-N 3.47Å |
| 27 | L | 58.2 | Low | 65.7 | Low | 73 Ų | 73 | 111.5 Ų | 111.5 | 38% | 0.382 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -54.8 | 126 | 170.6 | -91.5 | 144.1 | 0 | 0 | 0 | 110.3 | D23 Q31 | D23-L27 WeakPolarHBondContact O-CD1 3.36Å; D23-L27 PolarHBondContact O-N 3.32Å; L27-Q31 HydrophobicContact CD2-CB 3.87Å; L27-Q31 HydrophobicContact CD2-CG 4.39Å |
| 28 | S | 56.1 | Low | 64 | Low | 63 Ų | 63 | 116.7 Ų | 116.7 | 44% | 0.441 | 59% | 0.589 | S | S | . | * | trans | -57.3 | 151.5 | -179.1 | 75.6 | 0 | 0 | 0 | 0 | 110.5 | S26 E30 Q31 | S26-S28 PolarHBondContact O-N 3.47Å; S28-E30 PolarHBondContact O-N 3.22Å; S28-Q31 PolarHBondContact O-N 3.06Å | ||
| 29 | E | 56.9 | Low | 62.4 | Low | 131 Ų | 131 | 117.9 Ų | 117.9 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -53.5 | -19.8 | -177.7 | -57 | -172.9 | 153.6 | 0 | 0 | 113.3 | Q31 K35 | E29-Q31 PolarHBondContact O-N 3.16Å; E29-K35 HydrophobicContact CB-CD 4.4Å; E29-K35 VanDerWaalsContact CD-NZ 3.32Å; E29-K35 HydrophobicContact CG-CD 4.08Å; E29-K35 IonicContact OE1-NZ 2.6Å; E29-K35 PolarHBondContact OE1-NZ 2.83Å |
| 30 | E | 59.4 | Low | 60.9 | Low | 185 Ų | 185 | 115.5 Ų | 115.5 | 86% | 0.864 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -72.7 | -18 | 178.6 | -65.8 | -178.4 | 154.5 | 0 | 0 | 114.7 | S28 | S28-E30 PolarHBondContact O-N 3.22Š|
| 31 | Q | 58.8 | Low | 59.6 | Low | 138 Ų | 138 | 116.9 Ų | 116.9 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -107.5 | 0.2 | -177.4 | -67.6 | -167.2 | -2.5 | 0 | 0 | 114.7 | L27 S28 E29 P33 | L27-Q31 HydrophobicContact CD2-CB 3.87Å; L27-Q31 HydrophobicContact CD2-CG 4.39Å; S28-Q31 PolarHBondContact O-N 3.06Å; E29-Q31 PolarHBondContact O-N 3.16Å; Q31-P33 VanDerWaalsContact O-CD 3.29Å; Q31-P33 WeakPolarHBondContact O-CD 3.14Å |
| 32 | N | 51.3 | Low | 58.2 | Low | 57 Ų | 57 | 123.5 Ų | 123.5 | 31% | 0.305 | 62% | 0.617 | S | S | . | * | trans | -114.1 | 92.8 | -175.4 | -156.7 | -23 | 0 | 0 | 0 | 112.2 | H34 K35 | N32-H34 PolarHBondContact O-N 3.03Å; N32-H34 PolarHBondContact OD1-N 2.6Å; N32-K35 PolarHBondContact O-N 3.29Å; N32-K35 VanDerWaalsContact O-N 3.16Å | ||
| 33 | P | 57.4 | Low | 56.8 | Low | 116 Ų | 116 | 126.2 Ų | 126.2 | 75% | 0.753 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -6.1 | 178.9 | 27.8 | -34.6 | 0 | 0 | 0 | 113.5 | Q31 | Q31-P33 VanDerWaalsContact O-CD 3.29Å; Q31-P33 WeakPolarHBondContact O-CD 3.14Å |
| 34 | H | 56.4 | Low | 55.6 | Low | 164 Ų | 164 | 129.7 Ų | 129.7 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -0.1 | 178.5 | -60.4 | -60.3 | 0 | 0 | 0 | 113.9 | N32 P36 | N32-H34 PolarHBondContact O-N 3.03Å; N32-H34 PolarHBondContact OD1-N 2.6Å; H34-P36 WeakPolarHBondContact O-CD 3.2Å |
| 35 | K | 53.9 | Low | 55 | Low | 104 Ų | 104 | 129.1 Ų | 129.1 | 45% | 0.452 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -68.3 | 116.9 | 173 | -164.5 | 169.7 | -170.3 | 171.9 | 0 | 107.4 | E29 N32 F37 | E29-K35 HydrophobicContact CB-CD 4.4Å; E29-K35 VanDerWaalsContact CD-NZ 3.32Å; E29-K35 HydrophobicContact CG-CD 4.08Å; E29-K35 IonicContact OE1-NZ 2.6Å; E29-K35 PolarHBondContact OE1-NZ 2.83Å; N32-K35 PolarHBondContact O-N 3.29Å; N32-K35 VanDerWaalsContact O-N 3.16Å; K35-F37 PolarHBondContact O-N 2.88Å |
| 36 | P | 55.6 | Low | 54.3 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | trans | -62.6 | 107.8 | 171.8 | 25.5 | -30.2 | 0 | 0 | 0 | 106.3 | H34 Y38 | H34-P36 WeakPolarHBondContact O-CD 3.2Å; P36-Y38 PolarHBondContact O-N 2.84Å | ||
| 37 | F | 54 | Low | 53.7 | Low | 169 Ų | 169 | 129.3 Ų | 129.3 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | trans | -57.1 | 98.6 | 161.5 | -111.8 | -98.3 | 0 | 0 | 0 | 105.1 | K35 D39 | K35-F37 PolarHBondContact O-N 2.88Å; F37-D39 PolarHBondContact O-N 2.91Å | ||
| 38 | Y | 53.6 | Low | 53.4 | Low | 210 Ų | 210 | 132.2 Ų | 132.2 | 82% | 0.824 | 64% | 0.642 | S | S | * | * | trans | -68 | 87.9 | 156.5 | -94.6 | -88.4 | 0 | 0 | 0 | 104.3 | P36 P40 | P36-Y38 PolarHBondContact O-N 2.84Å; Y38-P40 VanDerWaalsContact O-CD 3.25Å; Y38-P40 WeakPolarHBondContact O-CD 3.25Å; Y38-P40 VanDerWaalsContact O-N 3.08Å | ||
| 39 | D | 53.9 | Low | 52.9 | Low | 102 Ų | 102 | 135 Ų | 135 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | trans | -52.9 | 118.5 | 161.5 | -85.1 | -11.9 | 0 | 0 | 0 | 105.3 | F37 L41 | F37-D39 PolarHBondContact O-N 2.91Å; D39-L41 PolarHBondContact O-N 2.7Å | ||
| 40 | P | 53.5 | Low | 52.3 | Low | 71 Ų | 71 | 135.3 Ų | 135.3 | 46% | 0.461 | 65% | 0.654 | S | S | . | * | trans | -57 | 114.7 | 170.8 | 22.2 | -28.8 | 0 | 0 | 0 | 105.7 | Y38 Y42 E43 | Y38-P40 VanDerWaalsContact O-CD 3.25Å; Y38-P40 WeakPolarHBondContact O-CD 3.25Å; Y38-P40 VanDerWaalsContact O-N 3.08Å; P40-Y42 PolarHBondContact O-N 3.3Å; P40-E43 PolarHBondContact O-N 2.88Å | ||
| 41 | L | 56.3 | Low | 52 | Low | 170 Ų | 170 | 133.6 Ų | 133.6 | 89% | 0.89 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 7.2 | 172.1 | -78.4 | 164.4 | 0 | 0 | 0 | 113 | D39 | D39-L41 PolarHBondContact O-N 2.7Š|
| 42 | Y | 49.4 | Very low | 51.6 | Low | 205 Ų | 205 | 138.2 Ų | 138.2 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -4.1 | -171.7 | -91.6 | -85.4 | 0 | 0 | 0 | 115 | P40 | P40-Y42 PolarHBondContact O-N 3.3Š|
| 43 | E | 47.3 | Very low | 51.5 | Low | 144 Ų | 144 | 140.6 Ų | 140.6 | 67% | 0.673 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 5 | -178.9 | -100.2 | 178.8 | 172.8 | 0 | 0 | 115.9 | P40 | P40-E43 PolarHBondContact O-N 2.88Š|
| 44 | Y | 47.9 | Very low | 51.1 | Low | 171 Ų | 171 | 139.3 Ų | 139.3 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 4.7 | 177 | -81.1 | -82.1 | 0 | 0 | 0 | 115.3 | I48 | Y44-I48 VanDerWaalsContact O-CD1 3.25Å; Y44-I48 WeakPolarHBondContact O-CD1 3.35Å; Y44-I48 WeakPolarHBondContact O-CG1 3.25Å |
| 45 | S | 51.5 | Low | 50.7 | Low | 68 Ų | 68 | 139.4 Ų | 139.4 | 48% | 0.476 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -26.1 | 175.2 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | N49 | S45-N49 PolarHBondContact O-ND2 3.38Š|
| 46 | D | 48.7 | Very low | 50.6 | Low | 119 Ų | 119 | 140 Ų | 140 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -23.6 | -167.7 | -68.7 | 5.3 | 0 | 0 | 0 | 112.4 | ||
| 47 | Y | 47.4 | Very low | 50.1 | Low | 159 Ų | 159 | 146.4 Ų | 146.4 | 62% | 0.624 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -15.2 | 173.8 | -72 | -80.6 | 0 | 0 | 0 | 114.1 | N49 Q50 | Y47-N49 PolarHBondContact O-N 2.77Å; Y47-Q50 PolarHBondContact O-N 2.75Å |
| 48 | I | 52.9 | Low | 49.9 | Very low | 133 Ų | 133 | 147.4 Ų | 147.4 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -20.9 | 171.2 | -65.2 | 171.7 | 0 | 0 | 0 | 111 | Y44 | Y44-I48 VanDerWaalsContact O-CD1 3.25Å; Y44-I48 WeakPolarHBondContact O-CD1 3.35Å; Y44-I48 WeakPolarHBondContact O-CG1 3.25Å |
| 49 | N | 46 | Very low | 49.8 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 5.5 | 176.2 | -67 | -33.7 | 0 | 0 | 0 | 113.6 | S45 Y47 E51 | S45-N49 PolarHBondContact O-ND2 3.38Å; Y47-N49 PolarHBondContact O-N 2.77Å; N49-E51 PolarHBondContact O-N 2.83Å |
| 50 | Q | 43.5 | Very low | 49.5 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | trans | -72 | 83.5 | 161.1 | -77.6 | -173.7 | -4.8 | 0 | 0 | 108.1 | Y47 R52 | Y47-Q50 PolarHBondContact O-N 2.75Å; Q50-R52 PolarHBondContact O-N 3.48Å | ||
| 51 | E | 52 | Low | 49.3 | Very low | 150 Ų | 150 | 155.1 Ų | 155.1 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -51 | 91.1 | 163.6 | -66.2 | -172.7 | 146.3 | 0 | 0 | 108.1 | N49 T53 | N49-E51 PolarHBondContact O-N 2.83Å; E51-T53 HydrophobicContact CB-CG2 4.47Å; E51-T53 PolarHBondContact O-N 3.46Å | ||
| 52 | R | 50.8 | Low | 48.7 | Very low | 235 Ų | 235 | 150.4 Ų | 150.4 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | trans | -57.8 | 88.9 | 142.7 | -84.7 | -171.6 | 178.8 | -173.7 | 1 | 103.9 | Q50 P54 | Q50-R52 PolarHBondContact O-N 3.48Å; R52-P54 VanDerWaalsContact C-N 3.34Å; R52-P54 WeakPolarHBondContact O-CD 3.41Å | ||
| 53 | T | 48.7 | Very low | 48.3 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | trans | -49.3 | 102.7 | 171.7 | 40 | 0 | 0 | 0 | 0 | 106 | E51 N55 | E51-T53 HydrophobicContact CB-CG2 4.47Å; E51-T53 PolarHBondContact O-N 3.46Å; T53-N55 PolarHBondContact O-N 2.64Å | ||
| 54 | P | 49.8 | Very low | 48.5 | Very low | 88 Ų | 88 | 155.3 Ų | 155.3 | 57% | 0.571 | 72% | 0.719 | S | S | * | * | trans | -63.7 | 141.9 | 169.6 | 5 | 10.2 | 0 | 0 | 0 | 104 | R52 K56 | R52-P54 VanDerWaalsContact C-N 3.34Å; R52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-K56 WeakPolarHBondContact O-CG 2.96Å; P54-K56 PolarHBondContact O-N 2.83Å | ||
| 55 | N | 48.6 | Very low | 48.2 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | trans | -58.1 | 88.5 | 173.9 | -162.4 | -6.5 | 0 | 0 | 0 | 107.7 | T53 R57 | T53-N55 PolarHBondContact O-N 2.64Å; N55-R57 VanDerWaalsContact C-N 3.31Å; N55-R57 PolarHBondContact O-N 3.42Å | ||
| 56 | K | 50.2 | Low | 47.9 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 51% | 0.509 | 73% | 0.734 | S | S | . | * | trans | -71.7 | 87.5 | -169 | -78 | 178.6 | -173.7 | 171.3 | 0 | 107.1 | P54 Y58 | P54-K56 WeakPolarHBondContact O-CG 2.96Å; P54-K56 PolarHBondContact O-N 2.83Å; K56-Y58 VanDerWaalsContact C-N 3.26Å; K56-Y58 HydrophobicContact CB-CD2 4.36Å; K56-Y58 HydrophobicContact CB-CE2 4.03Å; K56-Y58 HydrophobicContact CD-CE1 4.47Å; K56-Y58 WeakPolarHBondContact O-CD2 3.22Å; K56-Y58 PolarHBondContact O-N 3.16Å | ||
| 57 | R | 45.2 | Very low | 48 | Very low | 231 Ų | 231 | 152.9 Ų | 152.9 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | -63.7 | 97.6 | 151.2 | -86 | -174.7 | 176.1 | -176.8 | -0.4 | 106.1 | N55 I59 | N55-R57 VanDerWaalsContact C-N 3.31Å; N55-R57 PolarHBondContact O-N 3.42Å; R57-I59 PolarHBondContact O-N 3.29Å | ||
| 58 | Y | 51.1 | Low | 47.9 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | -61.5 | 100.8 | 174.2 | -68.3 | -89.5 | 0 | 0 | 0 | 109 | K56 R60 | K56-Y58 VanDerWaalsContact C-N 3.26Å; K56-Y58 HydrophobicContact CB-CD2 4.36Å; K56-Y58 HydrophobicContact CB-CE2 4.03Å; K56-Y58 HydrophobicContact CD-CE1 4.47Å; K56-Y58 WeakPolarHBondContact O-CD2 3.22Å; K56-Y58 PolarHBondContact O-N 3.16Å; Y58-R60 PolarHBondContact O-N 3Å | ||
| 59 | I | 52.1 | Low | 47.8 | Very low | 124 Ų | 124 | 151 Ų | 151 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -79.1 | 106.7 | 165.8 | -47.2 | 175.9 | 0 | 0 | 0 | 106.4 | R57 F61 | R57-I59 PolarHBondContact O-N 3.29Å; I59-F61 HydrophobicContact CB-CD2 4.16Å; I59-F61 HydrophobicContact CB-CE2 3.88Å; I59-F61 HydrophobicContact CD1-CE2 4.43Å; I59-F61 HydrophobicContact CG2-CD2 3.56Å; I59-F61 HydrophobicContact CG2-CE1 4.15Å; I59-F61 HydrophobicContact CG2-CE2 3.08Å; I59-F61 HydrophobicContact CG2-CG 4.29Å; I59-F61 HydrophobicContact CG2-CZ 3.41Å; I59-F61 VanDerWaalsContact CG2-CZ 3.41Å; I59-F61 PolarHBondContact O-N 2.95Å | ||
| 60 | R | 47.1 | Very low | 47.9 | Very low | 239 Ų | 239 | 151.4 Ų | 151.4 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | -75.1 | 99 | 173.1 | -73 | -175.8 | 178.5 | -141.9 | 0.6 | 108.3 | Y58 | Y58-R60 PolarHBondContact O-N 3Š| ||
| 61 | F | 49.2 | Very low | 48.3 | Very low | 182 Ų | 182 | 153 Ų | 153 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | -97.5 | 120.3 | 163.9 | -71.4 | -66.3 | 0 | 0 | 0 | 109.8 | I59 | I59-F61 HydrophobicContact CB-CD2 4.16Å; I59-F61 HydrophobicContact CB-CE2 3.88Å; I59-F61 HydrophobicContact CD1-CE2 4.43Å; I59-F61 HydrophobicContact CG2-CD2 3.56Å; I59-F61 HydrophobicContact CG2-CE1 4.15Å; I59-F61 HydrophobicContact CG2-CE2 3.08Å; I59-F61 HydrophobicContact CG2-CG 4.29Å; I59-F61 HydrophobicContact CG2-CZ 3.41Å; I59-F61 VanDerWaalsContact CG2-CZ 3.41Å; I59-F61 PolarHBondContact O-N 2.95Å | ||
| 62 | G | 42.5 | Very low | 48.3 | Very low | 70 Ų | 70 | 156.3 Ų | 156.3 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -77.4 | 150.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 63 | K | 42.2 | Very low | 48.5 | Very low | 202 Ų | 202 | 152.1 Ų | 152.1 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 46.4 | 110.3 | 153.7 | -84.3 | -179.3 | 169.1 | 178.9 | 0 | 117.2 | ||
| 64 | R | 50.3 | Low | 48.7 | Very low | 251 Ų | 251 | 149.9 Ų | 149.9 | 95% | 0.947 | 75% | 0.747 | S | S | * | * | trans | 93.4 | 99.6 | 178.9 | -59.3 | 178.4 | -125.9 | -152.9 | 0.5 | 109.3 | ||||
| 65 | G | 42.6 | Very low | 48.8 | Very low | 61 Ų | 61 | 151.1 Ų | 151.1 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | 100 | 95.2 | 60.2 | 0 | 0 | 0 | 0 | 0 | 107 | D67 | G65-D67 PolarHBondContact O-N 3.45Š| |||
| 66 | A | 44.8 | Very low | 49.1 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 66.4 | -21 | 155.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||
| 67 | D | 50 | Low | 49.2 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | trans | -101.2 | -16.3 | -160.7 | -70.8 | -19.5 | 0 | 0 | 0 | 118.5 | G65 | G65-D67 PolarHBondContact O-N 3.45Š| ||
| 68 | D | 46.5 | Very low | 49.8 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | -114 | 68.9 | -172.5 | -75.9 | -31 | 0 | 0 | 0 | 113.5 | M70 | D68-M70 PolarHBondContact O-N 3.17Š| ||
| 69 | V | 49.6 | Very low | 50 | Low | 110 Ų | 110 | 137.2 Ų | 137.2 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | trans | -87 | 66.1 | 157.3 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | R71 A77 | V69-R71 PolarHBondContact O-N 2.97Å; V69-A77 HydrophobicContact CG1-CB 4.14Å; V69-A77 WeakPolarHBondContact O-CB 3.44Å | ||
| 70 | M | 49.7 | Very low | 50.1 | Low | 131 Ų | 131 | 141.8 Ų | 141.8 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | B | Isolated β-bridge | trans | -77.3 | 113 | 166.1 | -71.4 | -72.9 | -157 | 0 | 0 | 108 | D68 | D68-M70 PolarHBondContact O-N 3.17Å |
| 71 | R | 51.8 | Low | 50.4 | Low | 169 Ų | 169 | 139.1 Ų | 139.1 | 64% | 0.638 | 73% | 0.733 | S | S | * | * | trans | -68.3 | 148.1 | 163.9 | -83.1 | -178.3 | 166.3 | -176.5 | -6.2 | 108.5 | V69 D73 G74 | V69-R71 PolarHBondContact O-N 2.97Å; R71-D73 PolarHBondContact O-N 3.29Å; R71-G74 PolarHBondContact O-N 3.04Å | ||
| 72 | Y | 50.8 | Low | 50.7 | Low | 220 Ų | 220 | 138.3 Ų | 138.3 | 86% | 0.863 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.1 | 130.6 | 162.3 | -93.6 | -104.5 | 0 | 0 | 0 | 107.9 | ||
| 73 | D | 55.3 | Low | 51.3 | Low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.6 | 2.6 | -176.1 | -50.4 | -25.4 | 0 | 0 | 0 | 117.7 | R71 I75 | R71-D73 PolarHBondContact O-N 3.29Å; D73-I75 HydrophobicContact CB-CD1 4.48Å; D73-I75 PolarHBondContact O-N 3.34Å; D73-I75 VanDerWaalsContact O-N 3.16Å |
| 74 | G | 53.3 | Low | 51.7 | Low | 60 Ų | 60 | 138.3 Ų | 138.3 | 62% | 0.619 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 69.5 | 14.3 | 171 | 0 | 0 | 0 | 0 | 0 | 114.5 | R71 | R71-G74 PolarHBondContact O-N 3.04Š|
| 75 | I | 51.2 | Low | 51.8 | Low | 114 Ų | 114 | 128.8 Ų | 128.8 | 59% | 0.585 | 69% | 0.69 | S | S | * | * | trans | -83.2 | 123.5 | 172.9 | -57.6 | 171.7 | 0 | 0 | 0 | 107.5 | D73 A77 | D73-I75 HydrophobicContact CB-CD1 4.48Å; D73-I75 PolarHBondContact O-N 3.34Å; D73-I75 VanDerWaalsContact O-N 3.16Å; I75-A77 PolarHBondContact O-N 2.85Å | ||
| 76 | P | 54.7 | Low | 52.4 | Low | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | B | Isolated β-bridge | trans | -58.2 | 124.8 | 174.8 | 22.1 | -30.1 | 0 | 0 | 0 | 108.9 | L78 | P76-L78 PolarHBondContact O-N 3.26Å |
| 77 | A | 54.1 | Low | 53.1 | Low | 41 Ų | 41 | 136.1 Ų | 136.1 | 34% | 0.339 | 69% | 0.688 | S | S | . | * | trans | -61.8 | 110 | 172 | 0 | 0 | 0 | 0 | 0 | 107.2 | V69 I75 | V69-A77 HydrophobicContact CG1-CB 4.14Å; V69-A77 WeakPolarHBondContact O-CB 3.44Å; I75-A77 PolarHBondContact O-N 2.85Å | ||
| 78 | L | 57.6 | Low | 53.7 | Low | 156 Ų | 156 | 133.3 Ų | 133.3 | 82% | 0.817 | 67% | 0.672 | S | S | * | * | trans | -46.1 | 133.9 | 169.6 | -80 | 160.5 | 0 | 0 | 0 | 107.9 | P76 R80 | P76-L78 PolarHBondContact O-N 3.26Å; L78-R80 PolarHBondContact O-N 3.42Å | ||
| 79 | P | 55 | Low | 54.6 | Low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 66% | 0.657 | S | S | * | * | trans | -55.1 | 115.5 | 175.9 | 22.7 | -31.1 | 0 | 0 | 0 | 106.5 | H81 | P79-H81 PolarHBondContact O-N 3.2Š| ||
| 80 | R | 53.9 | Low | 55.4 | Low | 221 Ų | 221 | 130.3 Ų | 130.3 | 83% | 0.834 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 116.6 | 175.3 | -78.9 | -178.3 | 168.3 | -174.7 | -6.2 | 106 | L78 K82 | L78-R80 PolarHBondContact O-N 3.42Å; R80-K82 PolarHBondContact O-N 3.11Å |
| 81 | H | 53.1 | Low | 56.6 | Low | 183 Ų | 183 | 131.8 Ų | 131.8 | 85% | 0.847 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 120.3 | 165.5 | -73 | -74.4 | 0 | 0 | 0 | 105.9 | P79 P83 | P79-H81 PolarHBondContact O-N 3.2Å; H81-P83 WeakPolarHBondContact O-CD 3.38Å; H81-P83 VanDerWaalsContact O-N 3.1Å |
| 82 | K | 56 | Low | 57.3 | Low | 164 Ų | 164 | 131 Ų | 131 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 123.7 | 174.6 | -75.9 | -178.2 | 177.4 | 179.1 | 0 | 106 | R80 Y84 | R80-K82 PolarHBondContact O-N 3.11Å; K82-Y84 VanDerWaalsContact C-N 3.28Å; K82-Y84 PolarHBondContact O-N 3.48Å |
| 83 | P | 54.8 | Low | 57.7 | Low | 125 Ų | 125 | 131.5 Ų | 131.5 | 81% | 0.812 | 66% | 0.658 | S | S | * | * | trans | -63.8 | 102.7 | 168 | 26 | -29.6 | 0 | 0 | 0 | 105.2 | H81 S85 | H81-P83 WeakPolarHBondContact O-CD 3.38Å; H81-P83 VanDerWaalsContact O-N 3.1Å; P83-S85 PolarHBondContact O-N 2.86Å | ||
| 84 | Y | 50.9 | Low | 57.7 | Low | 148 Ų | 148 | 135.7 Ų | 135.7 | 58% | 0.58 | 67% | 0.673 | S | S | * | * | trans | -62.5 | 122.1 | 168.6 | -72.7 | -86.5 | 0 | 0 | 0 | 106.2 | K82 L89 | K82-Y84 VanDerWaalsContact C-N 3.28Å; K82-Y84 PolarHBondContact O-N 3.48Å; Y84-L89 HydrophobicContact CD1-CD2 4.08Å; Y84-L89 HydrophobicContact CG-CD2 3.96Å; Y84-L89 HydrophobicContact CG-CG 4.46Å | ||
| 85 | S | 53.1 | Low | 57.9 | Low | 50 Ų | 50 | 139.5 Ų | 139.5 | 35% | 0.35 | 68% | 0.676 | S | S | . | * | trans | -60.7 | 141.2 | 165.5 | 175.7 | 0 | 0 | 0 | 0 | 107.7 | P83 Y87 D88 L89 | P83-S85 PolarHBondContact O-N 2.86Å; S85-Y87 PolarHBondContact O-N 3.12Å; S85-Y87 WeakPolarHBondContact OG-CD2 3.47Å; S85-Y87 PolarHBondContact OG-N 3.03Å; S85-D88 WeakPolarHBondContact CB-OD2 3.45Å; S85-D88 PolarHBondContact N-OD2 3.18Å; S85-D88 WeakPolarHBondContact O-CB 3.37Å; S85-D88 PolarHBondContact O-N 3.3Å; S85-L89 PolarHBondContact O-N 2.91Å | ||
| 86 | L | 54.2 | Low | 58.2 | Low | 129 Ų | 129 | 140.8 Ų | 140.8 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -51.5 | -32.2 | 172.5 | -163.7 | 79.5 | 0 | 0 | 0 | 110.7 | L89 L90 | L86-L89 PolarHBondContact O-N 2.94Å; L86-L90 HydrophobicContact CG-CD1 4.38Å; L86-L90 WeakPolarHBondContact O-CG 3.22Å; L86-L90 PolarHBondContact O-N 3.24Å; L86-L90 VanDerWaalsContact O-N 3.11Å |
| 87 | Y | 59 | Low | 58.4 | Low | 188 Ų | 188 | 142.8 Ų | 142.8 | 74% | 0.737 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67.1 | -34.8 | 175.1 | -63.2 | -79.3 | 0 | 0 | 0 | 114 | S85 L90 K91 | S85-Y87 PolarHBondContact O-N 3.12Å; S85-Y87 WeakPolarHBondContact OG-CD2 3.47Å; S85-Y87 PolarHBondContact OG-N 3.03Å; Y87-L90 PolarHBondContact O-N 3.45Å; Y87-K91 WeakPolarHBondContact O-CB 3.37Å; Y87-K91 PolarHBondContact O-N 3.36Å; Y87-K91 VanDerWaalsContact O-N 3.12Å |
| 88 | D | 63.7 | Low | 58.7 | Low | 85 Ų | 85 | 148.8 Ų | 148.8 | 46% | 0.455 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -69.1 | -40.3 | 177.2 | -65.6 | -32.5 | 0 | 0 | 0 | 110.5 | S85 L90 K91 E92 | S85-D88 WeakPolarHBondContact CB-OD2 3.45Å; S85-D88 PolarHBondContact N-OD2 3.18Å; S85-D88 WeakPolarHBondContact O-CB 3.37Å; S85-D88 PolarHBondContact O-N 3.3Å; D88-L90 VanDerWaalsContact C-N 3.33Å; D88-L90 PolarHBondContact O-N 3.45Å; D88-K91 PolarHBondContact O-N 2.97Å; D88-E92 PolarHBondContact O-N 3.47Å |
| 89 | L | 64.4 | Low | 58.7 | Low | 85 Ų | 85 | 148.4 Ų | 148.4 | 45% | 0.445 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -66.9 | -33.7 | 176.4 | -63 | 173.8 | 0 | 0 | 0 | 112.7 | Y84 S85 L86 | Y84-L89 HydrophobicContact CD1-CD2 4.08Å; Y84-L89 HydrophobicContact CG-CD2 3.96Å; Y84-L89 HydrophobicContact CG-CG 4.46Å; S85-L89 PolarHBondContact O-N 2.91Å; L86-L89 PolarHBondContact O-N 2.94Å |
| 90 | L | 67.1 | Low | 59 | Low | 105 Ų | 105 | 150.9 Ų | 150.9 | 55% | 0.55 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -74.8 | -30.1 | 178.2 | -72.1 | 169.7 | 0 | 0 | 0 | 112.4 | L86 Y87 D88 R93 | L86-L90 HydrophobicContact CG-CD1 4.38Å; L86-L90 WeakPolarHBondContact O-CG 3.22Å; L86-L90 PolarHBondContact O-N 3.24Å; L86-L90 VanDerWaalsContact O-N 3.11Å; Y87-L90 PolarHBondContact O-N 3.45Å; D88-L90 VanDerWaalsContact C-N 3.33Å; D88-L90 PolarHBondContact O-N 3.45Å; L90-R93 PolarHBondContact O-N 3.47Å |
| 91 | K | 75.4 | Confident | 59.4 | Low | 162 Ų | 162 | 145.9 Ų | 145.9 | 70% | 0.704 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.5 | -29.9 | -179.6 | -167.7 | 176.5 | 179.6 | -177.5 | 0 | 113.1 | Y87 D88 R93 | Y87-K91 WeakPolarHBondContact O-CB 3.37Å; Y87-K91 PolarHBondContact O-N 3.36Å; Y87-K91 VanDerWaalsContact O-N 3.12Å; D88-K91 PolarHBondContact O-N 2.97Å; K91-R93 PolarHBondContact O-N 3.38Å |
| 92 | E | 66.1 | Low | 59.8 | Low | 153 Ų | 153 | 143 Ų | 143 | 72% | 0.715 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -9.7 | 177.2 | -71.7 | -176.2 | 170.9 | 0 | 0 | 113.8 | D88 | D88-E92 PolarHBondContact O-N 3.47Š|
| 93 | R | 59 | Low | 60.2 | Low | 230 Ų | 230 | 141.3 Ų | 141.3 | 87% | 0.868 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -3.7 | 179 | -84.3 | -157 | -173.9 | -174 | 4.3 | 115.3 | L90 K91 | L90-R93 PolarHBondContact O-N 3.47Å; K91-R93 PolarHBondContact O-N 3.38Å |
| 94 | Q | 54.4 | Low | 60.6 | Low | 235 Ų | 235 | 142.7 Ų | 142.7 | 100% | 1.098 | 65% | 0.652 | S | S | * | * | trans | -102.3 | 0 | 177 | -70.2 | -172.3 | -19.4 | 0 | 0 | 111.1 |
Retrieved 94 of 94 residues in 38.7 ms
(Link to these results)