| 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 | 62.3 | Low | 83.6 | Confident | 208 Ų | 208 | 124 Ų | 124 | 100% | 1.025 | 63% | 0.626 | S | S | * | * | 0 | 44 | 0 | -56.9 | -172.5 | -82.5 | 0 | 0 | 112.8 | |||||
| 2 | K | 70.4 | Confident | 83.9 | Confident | 173 Ų | 173 | 121.7 Ų | 121.7 | 75% | 0.752 | 62% | 0.615 | S | S | * | * | trans | -97.2 | -36.2 | 178 | -107.6 | 92.5 | 156.8 | 166.8 | 0 | 112.3 | L4 L5 | K2-L4 PolarHBondContact O-N 3.27Å; K2-L5 PolarHBondContact O-N 3.48Å | ||
| 3 | S | 78.6 | Confident | 83.9 | Confident | 92 Ų | 92 | 120.8 Ų | 120.8 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.9 | -40.9 | -175.7 | 179.8 | 0 | 0 | 0 | 0 | 112.9 | L5 F6 T7 | S3-L5 VanDerWaalsContact C-N 3.29Å; S3-L5 PolarHBondContact O-N 2.97Å; S3-F6 WeakPolarHBondContact O-CB 3.46Å; S3-F6 PolarHBondContact O-N 3.11Å; S3-F6 VanDerWaalsContact O-N 3.13Å; S3-T7 PolarHBondContact O-N 3.13Å; S3-T7 VanDerWaalsContact O-N 3.11Å; S3-T7 PolarHBondContact O-OG1 3.43Å |
| 4 | L | 85.4 | Confident | 83.9 | Confident | 131 Ų | 131 | 118.9 Ų | 118.9 | 69% | 0.686 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.2 | -37.1 | 179.2 | -70.1 | 172.2 | 0 | 0 | 0 | 113.5 | K2 T7 L8 | K2-L4 PolarHBondContact O-N 3.27Å; L4-T7 PolarHBondContact O-N 3.41Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.09Å |
| 5 | L | 87.4 | Confident | 83.7 | Confident | 110 Ų | 110 | 116.9 Ų | 116.9 | 58% | 0.576 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.5 | -39.4 | 178.8 | -66.7 | 172.7 | 0 | 0 | 0 | 111.4 | K2 S3 L8 I9 | K2-L5 PolarHBondContact O-N 3.48Å; S3-L5 VanDerWaalsContact C-N 3.29Å; S3-L5 PolarHBondContact O-N 2.97Å; L5-L8 PolarHBondContact O-N 3.39Å; L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.49Å; L5-I9 PolarHBondContact O-N 2.97Å |
| 6 | F | 87.6 | Confident | 83.2 | Confident | 145 Ų | 145 | 117.6 Ų | 117.6 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.2 | -44.8 | 175.3 | -91.9 | -82.6 | 0 | 0 | 0 | 111.9 | S3 L8 I9 L10 | S3-F6 WeakPolarHBondContact O-CB 3.46Å; S3-F6 PolarHBondContact O-N 3.11Å; S3-F6 VanDerWaalsContact O-N 3.13Å; F6-L8 VanDerWaalsContact C-N 3.29Å; F6-L8 PolarHBondContact O-N 3.39Å; F6-I9 PolarHBondContact O-N 3.05Å; F6-L10 WeakPolarHBondContact O-CG 3.44Å; F6-L10 PolarHBondContact O-N 3.37Å; F6-L10 VanDerWaalsContact O-N 3.09Å |
| 7 | T | 89.9 | Confident | 82.7 | Confident | 64 Ų | 64 | 118.8 Ų | 118.8 | 39% | 0.393 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.2 | -41.6 | 177.7 | -34.9 | 0 | 0 | 0 | 0 | 111.2 | S3 L4 L10 F11 | S3-T7 PolarHBondContact O-N 3.13Å; S3-T7 VanDerWaalsContact O-N 3.11Å; S3-T7 PolarHBondContact O-OG1 3.43Å; L4-T7 PolarHBondContact O-N 3.41Å; T7-L10 PolarHBondContact O-N 3.04Å; T7-F11 HydrophobicContact CG2-CD2 4.32Å; T7-F11 HydrophobicContact CG2-CE2 4.46Å; T7-F11 WeakPolarHBondContact O-CD2 3.31Å; T7-F11 PolarHBondContact O-N 3.41Å |
| 8 | L | 88.9 | Confident | 82.2 | Confident | 102 Ų | 102 | 119.3 Ų | 119.3 | 53% | 0.534 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.5 | -42 | -179.4 | -163.5 | 147.3 | 0 | 0 | 0 | 112 | L4 L5 F6 F11 I12 | L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.09Å; L5-L8 PolarHBondContact O-N 3.39Å; F6-L8 VanDerWaalsContact C-N 3.29Å; F6-L8 PolarHBondContact O-N 3.39Å; L8-F11 PolarHBondContact O-N 3.07Å; L8-I12 HydrophobicContact CD2-CD1 3.58Å; L8-I12 HydrophobicContact CD2-CG1 4.35Å; L8-I12 WeakPolarHBondContact O-CG1 3.26Å; L8-I12 PolarHBondContact O-N 3.04Å |
| 9 | I | 90.1 | Very high | 81.2 | Confident | 95 Ų | 95 | 115.2 Ų | 115.2 | 49% | 0.487 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62 | -44.7 | 175.7 | -69.1 | 162.8 | 0 | 0 | 0 | 111.3 | L5 F6 F11 I12 L13 | L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.49Å; L5-I9 PolarHBondContact O-N 2.97Å; F6-I9 PolarHBondContact O-N 3.05Å; I9-F11 VanDerWaalsContact C-N 3.34Å; I9-F11 PolarHBondContact O-N 3.47Å; I9-I12 PolarHBondContact O-N 3.02Å; I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.35Å |
| 10 | L | 90.4 | Very high | 79.9 | Confident | 103 Ų | 103 | 112.2 Ų | 112.2 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.6 | -42.3 | 177.6 | -73.8 | 171.7 | 0 | 0 | 0 | 111.8 | F6 T7 L13 L14 | F6-L10 WeakPolarHBondContact O-CG 3.44Å; F6-L10 PolarHBondContact O-N 3.37Å; F6-L10 VanDerWaalsContact O-N 3.09Å; T7-L10 PolarHBondContact O-N 3.04Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-L14 VanDerWaalsContact O-CG 3.28Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.33Å |
| 11 | F | 88.5 | Confident | 78.9 | Confident | 141 Ų | 141 | 112.7 Ų | 112.7 | 62% | 0.618 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.4 | -44.9 | 176.2 | -102.6 | -86.5 | 0 | 0 | 0 | 112.5 | T7 L8 I9 L13 L14 V15 | T7-F11 HydrophobicContact CG2-CD2 4.32Å; T7-F11 HydrophobicContact CG2-CE2 4.46Å; T7-F11 WeakPolarHBondContact O-CD2 3.31Å; T7-F11 PolarHBondContact O-N 3.41Å; L8-F11 PolarHBondContact O-N 3.07Å; I9-F11 VanDerWaalsContact C-N 3.34Å; I9-F11 PolarHBondContact O-N 3.47Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.34Å; F11-L14 PolarHBondContact O-N 3.25Å; F11-V15 VanDerWaalsContact O-CG2 3.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.26Å; F11-V15 PolarHBondContact O-N 2.95Å |
| 12 | I | 87.1 | Confident | 78.6 | Confident | 96 Ų | 96 | 112.8 Ų | 112.8 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.7 | -42.6 | 178.2 | -66.4 | 174.9 | 0 | 0 | 0 | 110.8 | L8 I9 L14 V15 Q16 | L8-I12 HydrophobicContact CD2-CD1 3.58Å; L8-I12 HydrophobicContact CD2-CG1 4.35Å; L8-I12 WeakPolarHBondContact O-CG1 3.26Å; L8-I12 PolarHBondContact O-N 3.04Å; I9-I12 PolarHBondContact O-N 3.02Å; I12-L14 PolarHBondContact O-N 2.95Å; I12-V15 PolarHBondContact O-N 3.44Å; I12-Q16 WeakPolarHBondContact O-CG 3.46Å; I12-Q16 PolarHBondContact O-N 3.48Å |
| 13 | L | 84 | Confident | 78.2 | Confident | 110 Ų | 110 | 111.3 Ų | 111.3 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.1 | -42.5 | 177.1 | -76 | 168.2 | 0 | 0 | 0 | 112 | I9 L10 F11 Q16 L17 | I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 3.46Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.34Å; L13-Q16 PolarHBondContact O-N 2.86Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.3Å |
| 14 | L | 84.4 | Confident | 77.9 | Confident | 95 Ų | 95 | 109.3 Ų | 109.3 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.5 | -41.8 | 176.2 | -72.6 | 166.9 | 0 | 0 | 0 | 111.7 | L10 F11 I12 Q16 L17 V18 | L10-L14 VanDerWaalsContact O-CG 3.28Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.33Å; F11-L14 PolarHBondContact O-N 3.25Å; I12-L14 PolarHBondContact O-N 2.95Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.31Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-V18 WeakPolarHBondContact O-CB 2.98Å; L14-V18 VanDerWaalsContact O-CG2 3.26Å; L14-V18 WeakPolarHBondContact O-CG2 3.34Å; L14-V18 PolarHBondContact O-N 3.05Å |
| 15 | V | 80.8 | Confident | 77.8 | Confident | 89 Ų | 89 | 110 Ų | 110 | 54% | 0.539 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.5 | -43.1 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | F11 I12 S19 | F11-V15 VanDerWaalsContact O-CG2 3.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.26Å; F11-V15 PolarHBondContact O-N 2.95Å; I12-V15 PolarHBondContact O-N 3.44Å; V15-S19 WeakPolarHBondContact O-CB 3.41Å; V15-S19 PolarHBondContact O-N 3.37Å |
| 16 | Q | 75.3 | Confident | 77.7 | Confident | 127 Ų | 127 | 109.4 Ų | 109.4 | 59% | 0.593 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.1 | -36 | 177.7 | -63.5 | -72.6 | 41 | 0 | 0 | 112.7 | I12 L13 L14 G20 | I12-Q16 WeakPolarHBondContact O-CG 3.46Å; I12-Q16 PolarHBondContact O-N 3.48Å; L13-Q16 PolarHBondContact O-N 2.86Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.31Å; Q16-G20 PolarHBondContact O-N 3.33Å; Q16-G20 VanDerWaalsContact O-N 3.17Å |
| 17 | L | 75.3 | Confident | 77.6 | Confident | 139 Ų | 139 | 102.6 Ų | 102.6 | 73% | 0.728 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.4 | -45.8 | 178.1 | -171.8 | 69.4 | 0 | 0 | 0 | 111.6 | L13 L14 G20 | L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.3Å; L14-L17 PolarHBondContact O-N 3.31Å; L17-G20 PolarHBondContact O-N 3.41Å |
| 18 | V | 73.5 | Confident | 77.4 | Confident | 127 Ų | 127 | 100.3 Ų | 100.3 | 77% | 0.77 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.1 | -36.2 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L14 G20 | L14-V18 WeakPolarHBondContact O-CB 2.98Å; L14-V18 VanDerWaalsContact O-CG2 3.26Å; L14-V18 WeakPolarHBondContact O-CG2 3.34Å; L14-V18 PolarHBondContact O-N 3.05Å; V18-G20 PolarHBondContact O-N 2.89Å |
| 19 | S | 63.5 | Low | 77.2 | Confident | 41 Ų | 41 | 103.3 Ų | 103.3 | 29% | 0.287 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.4 | 178.5 | -164.8 | 0 | 0 | 0 | 0 | 113.1 | V15 N21 W22 | V15-S19 WeakPolarHBondContact O-CB 3.41Å; V15-S19 PolarHBondContact O-N 3.37Å; S19-N21 PolarHBondContact O-N 3.38Å; S19-W22 PolarHBondContact O-N 3.17Å; S19-W22 WeakPolarHBondContact OG-CB 3.46Å |
| 20 | G | 54.7 | Low | 76.9 | Confident | 55 Ų | 55 | 106.9 Ų | 106.9 | 57% | 0.567 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 68.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q16 L17 V18 W22 | Q16-G20 PolarHBondContact O-N 3.33Å; Q16-G20 VanDerWaalsContact O-N 3.17Å; L17-G20 PolarHBondContact O-N 3.41Å; V18-G20 PolarHBondContact O-N 2.89Å; G20-W22 PolarHBondContact O-N 3.27Å |
| 21 | N | 58.5 | Low | 76.7 | Confident | 123 Ų | 123 | 105.3 Ų | 105.3 | 66% | 0.658 | 55% | 0.548 | S | S | * | . | trans | 42.5 | 60.9 | 179.4 | -169.3 | 79 | 0 | 0 | 0 | 112.7 | S19 N23 | S19-N21 PolarHBondContact O-N 3.38Å; N21-N23 PolarHBondContact ND2-O 3.01Å; N21-N23 PolarHBondContact O-N 3.44Å | ||
| 22 | W | 55.6 | Low | 76.6 | Confident | 210 Ų | 210 | 98.7 Ų | 98.7 | 80% | 0.795 | 52% | 0.519 | S | S | * | . | trans | -55.7 | -18.9 | 179 | -170.7 | -87.9 | 0 | 0 | 0 | 114.2 | S19 G20 V24 | S19-W22 PolarHBondContact O-N 3.17Å; S19-W22 WeakPolarHBondContact OG-CB 3.46Å; G20-W22 PolarHBondContact O-N 3.27Å; W22-V24 PolarHBondContact O-N 2.92Å | ||
| 23 | N | 62.6 | Low | 76.7 | Confident | 143 Ų | 143 | 95.6 Ų | 95.6 | 77% | 0.765 | 50% | 0.504 | S | S | * | . | trans | -79.3 | 68.9 | 172.4 | -87.7 | -20.7 | 0 | 0 | 0 | 111.8 | N21 R25 | N21-N23 PolarHBondContact ND2-O 3.01Å; N21-N23 PolarHBondContact O-N 3.44Å; N23-R25 PolarHBondContact O-N 3.16Å; N23-R25 VanDerWaalsContact O-N 3.16Å | ||
| 24 | V | 73.4 | Confident | 76.8 | Confident | 50 Ų | 50 | 91 Ų | 91 | 30% | 0.303 | 48% | 0.48 | S | S | . | . | trans | -68.9 | 110.1 | 165.7 | -166.7 | 0 | 0 | 0 | 0 | 107.5 | W22 K26 N33 C34 | W22-V24 PolarHBondContact O-N 2.92Å; V24-K26 PolarHBondContact O-N 2.76Å; V24-N33 HydrophobicContact CG1-CB 3.85Å; V24-C34 WeakPolarHBondContact CG1-O 3.1Å | ||
| 25 | R | 82.9 | Confident | 76.9 | Confident | 144 Ų | 144 | 88.9 Ų | 88.9 | 54% | 0.543 | 47% | 0.466 | S | S | . | . | trans | -55.8 | 132.4 | -179.1 | -169.7 | 163.7 | -177.6 | -165.1 | 2.6 | 109.7 | N23 C34 M51 | N23-R25 PolarHBondContact O-N 3.16Å; N23-R25 VanDerWaalsContact O-N 3.16Å; R25-C34 HydrophobicContact CB-CB 4.21Å; R25-C34 WeakPolarHBondContact O-CB 3.23Å; R25-C34 PolarHBondContact O-N 3.09Å; R25-C34 PolarHBondContact O-SG 3Å; R25-C34 VanDerWaalsContact O-SG 3.33Å; R25-M51 WeakPolarHBondContact CD-O 3.05Å; R25-M51 PolarHBondContact NE-O 2.81Å; R25-M51 PolarHBondContact NH1-O 2.04Å | ||
| 26 | K | 85.6 | Confident | 77.2 | Confident | 99 Ų | 99 | 88 Ų | 88 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 150.3 | 177.4 | -65.7 | -65.2 | -176.2 | 176.5 | 0 | 110.8 | V24 K30 G32 N33 | V24-K26 PolarHBondContact O-N 2.76Å; K26-K30 HydrophobicContact CB-CG 4.42Å; K26-G32 WeakPolarHBondContact CA-O 3.41Å; K26-G32 WeakPolarHBondContact CD-O 3.1Å; K26-N33 VanDerWaalsContact CD-OD1 3.31Å; K26-N33 WeakPolarHBondContact CD-OD1 3.39Å; K26-N33 WeakPolarHBondContact CE-OD1 3.05Å; K26-N33 PolarHBondContact NZ-OD1 3.42Å |
| 27 | C | 85.6 | Confident | 77.7 | Confident | 2 Ų | 2 | 87.1 Ų | 87.1 | 1% | 0.014 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 180 | 174.9 | 61.6 | 0 | 0 | 0 | 0 | 109.9 | N29 K30 A31 G32 C58 | C27-N29 PolarHBondContact O-N 3.34Å; C27-K30 WeakPolarHBondContact O-CA 3.31Å; C27-K30 PolarHBondContact O-N 2.89Å; C27-A31 PolarHBondContact O-N 2.93Å; C27-G32 PolarHBondContact N-O 3.44Å; C27-G32 PolarHBondContact O-N 2.86Å; C27-G32 VanDerWaalsContact O-N 3.09Å; C27-C58 HydrophobicContact CB-CB 3.79Å; C27-C58 WeakPolarHBondContact CB-SG 3.45Å; C27-C58 WeakPolarHBondContact SG-CA 3.28Å; C27-C58 WeakPolarHBondContact SG-CB 3.4Å; C27-C58 CovalentContact SG-SG 2.02Å; C27-C58 PolarHBondContact SG-SG 2.91Å |
| 28 | A | 84.8 | Confident | 78.2 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 12% | 0.124 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | 51.1 | 50.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K30 A31 I45 T49 I60 | A28-K30 VanDerWaalsContact C-N 3.27Å; A28-K30 PolarHBondContact O-N 3.33Å; A28-A31 HydrophobicContact CB-CB 4.3Å; A28-A31 WeakPolarHBondContact O-CB 3.4Å; A28-A31 PolarHBondContact O-N 2.86Å; A28-I45 HydrophobicContact CB-CD1 3.59Å; A28-T49 PolarHBondContact N-OG1 2.77Å; A28-I60 HydrophobicContact CB-CG2 3.77Å |
| 29 | N | 84.9 | Confident | 78.9 | Confident | 165 Ų | 165 | 83.5 Ų | 83.5 | 88% | 0.882 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | 53.8 | 40.5 | -175.3 | -61.3 | -48.8 | 0 | 0 | 0 | 113.9 | C27 A31 | C27-N29 PolarHBondContact O-N 3.34Å; N29-A31 PolarHBondContact O-N 2.99Å |
| 30 | K | 84.3 | Confident | 80 | Confident | 170 Ų | 170 | 89.8 Ų | 89.8 | 74% | 0.739 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | 70.4 | 1.7 | -175.6 | -53.3 | 171.1 | -178.4 | -79.7 | 0 | 115.3 | K26 C27 A28 G32 | K26-K30 HydrophobicContact CB-CG 4.42Å; C27-K30 WeakPolarHBondContact O-CA 3.31Å; C27-K30 PolarHBondContact O-N 2.89Å; A28-K30 VanDerWaalsContact C-N 3.27Å; A28-K30 PolarHBondContact O-N 3.33Å; K30-G32 PolarHBondContact O-N 2.92Å |
| 31 | A | 84.8 | Confident | 81.4 | Confident | 70 Ų | 70 | 89.7 Ų | 89.7 | 58% | 0.579 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C27 A28 N29 | C27-A31 PolarHBondContact O-N 2.93Å; A28-A31 HydrophobicContact CB-CB 4.3Å; A28-A31 WeakPolarHBondContact O-CB 3.4Å; A28-A31 PolarHBondContact O-N 2.86Å; N29-A31 PolarHBondContact O-N 2.99Å |
| 32 | G | 87.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 85.6 Ų | 85.6 | 2% | 0.021 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 170.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K26 C27 K30 C59 | K26-G32 WeakPolarHBondContact CA-O 3.41Å; K26-G32 WeakPolarHBondContact CD-O 3.1Å; C27-G32 PolarHBondContact N-O 3.44Å; C27-G32 PolarHBondContact O-N 2.86Å; C27-G32 VanDerWaalsContact O-N 3.09Å; K30-G32 PolarHBondContact O-N 2.92Å; G32-C59 CarbonylContact C-O 3.49Å; G32-C59 WeakPolarHBondContact CA-O 3.33Å |
| 33 | N | 88 | Confident | 84.3 | Confident | 32 Ų | 32 | 77.8 Ų | 77.8 | 17% | 0.171 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.8 | 177.3 | -62 | -51.3 | 0 | 0 | 0 | 110.7 | V24 K26 R35 C59 | V24-N33 HydrophobicContact CG1-CB 3.85Å; K26-N33 VanDerWaalsContact CD-OD1 3.31Å; K26-N33 WeakPolarHBondContact CD-OD1 3.39Å; K26-N33 WeakPolarHBondContact CE-OD1 3.05Å; K26-N33 PolarHBondContact NZ-OD1 3.42Å; N33-R35 HydrophobicContact CB-CG 4.48Å; N33-R35 PolarHBondContact O-N 2.86Å; N33-C59 PolarHBondContact N-O 2.84Å; N33-C59 PolarHBondContact O-N 2.71Å |
| 34 | C | 87.4 | Confident | 85.5 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 8% | 0.081 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 116.8 | 173 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | V24 R25 C52 K56 L57 | V24-C34 WeakPolarHBondContact CG1-O 3.1Å; R25-C34 HydrophobicContact CB-CB 4.21Å; R25-C34 WeakPolarHBondContact O-CB 3.23Å; R25-C34 PolarHBondContact O-N 3.09Å; R25-C34 PolarHBondContact O-SG 3Å; R25-C34 VanDerWaalsContact O-SG 3.33Å; C34-C52 VanDerWaalsContact CA-SG 3.52Å; C34-C52 HydrophobicContact CB-CB 3.77Å; C34-C52 WeakPolarHBondContact CB-SG 3.27Å; C34-C52 WeakPolarHBondContact SG-CA 3.42Å; C34-C52 WeakPolarHBondContact SG-CB 3.28Å; C34-C52 CovalentContact SG-SG 2.04Å; C34-C52 PolarHBondContact SG-SG 2.02Å; C34-K56 HydrophobicContact CB-CB 4.36Å; C34-L57 CarbonylContact C-O 3.52Å; C34-L57 VanDerWaalsContact CA-O 3.28Å; C34-L57 WeakPolarHBondContact CA-O 3.38Å |
| 35 | R | 86.5 | Confident | 85.9 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 19% | 0.192 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159.4 | 179.9 | -61.2 | -175.1 | 176.7 | -74.5 | -3.1 | 110.9 | N33 T37 E42 K56 L57 | N33-R35 HydrophobicContact CB-CG 4.48Å; N33-R35 PolarHBondContact O-N 2.86Å; R35-T37 VanDerWaalsContact C-N 3.28Å; R35-T37 VanDerWaalsContact CB-O 3.27Å; R35-T37 WeakPolarHBondContact CB-O 3.14Å; R35-E42 IonicContact NE-OE1 3.58Å; R35-E42 IonicContact NE-OE2 3.6Å; R35-K56 CarbonylContact O-C 3.51Å; R35-K56 WeakPolarHBondContact O-CA 3.44Å; R35-L57 PolarHBondContact N-O 3.02Å; R35-L57 PolarHBondContact O-N 3.33Å |
| 36 | S | 85.8 | Confident | 85.2 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -72.5 | -27.7 | 170.8 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | K56 | S36-K56 PolarHBondContact OG-NZ 2.04Š|
| 37 | T | 86.1 | Confident | 84.1 | Confident | 109 Ų | 109 | 73.3 Ų | 73.3 | 67% | 0.669 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -147.3 | 139.7 | 176.5 | -45.4 | 0 | 0 | 0 | 0 | 108.3 | R35 | R35-T37 VanDerWaalsContact C-N 3.28Å; R35-T37 VanDerWaalsContact CB-O 3.27Å; R35-T37 WeakPolarHBondContact CB-O 3.14Å |
| 38 | C | 87.3 | Confident | 83 | Confident | 28 Ų | 28 | 76 Ų | 76 | 19% | 0.189 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 146.5 | 175.3 | -58 | 0 | 0 | 0 | 0 | 110.7 | E42 C59 | C38-E42 HydrophobicContact CB-CB 3.94Å; C38-C59 WeakPolarHBondContact CA-SG 3.15Å; C38-C59 HydrophobicContact CB-CB 3.76Å; C38-C59 WeakPolarHBondContact CB-SG 3.4Å; C38-C59 WeakPolarHBondContact SG-CB 3.4Å; C38-C59 CovalentContact SG-SG 2.04Å; C38-C59 PolarHBondContact SG-SG 2.81Å |
| 39 | R | 88.1 | Confident | 81.9 | Confident | 162 Ų | 162 | 78.2 Ų | 78.2 | 61% | 0.611 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 162.8 | 175.2 | -65.1 | 178.9 | 171.9 | -177.6 | -4 | 110.3 | G41 E42 | R39-G41 PolarHBondContact O-N 2.84Å; R39-E42 HydrophobicContact CB-CG 4.25Å; R39-E42 PolarHBondContact N-OE2 2.97Å; R39-E42 WeakPolarHBondContact O-CB 3.07Å; R39-E42 PolarHBondContact O-N 3.28Å |
| 40 | N | 85.4 | Confident | 80.7 | Confident | 172 Ų | 172 | 74 Ų | 74 | 92% | 0.92 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 130.9 | 169.3 | -70.3 | 51.6 | 0 | 0 | 0 | 109.7 | E42 | N40-E42 VanDerWaalsContact C-N 3.33Š|
| 41 | G | 84.8 | Confident | 80.1 | Confident | 53 Ų | 53 | 71 Ų | 71 | 55% | 0.546 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 1.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | R39 D62 | R39-G41 PolarHBondContact O-N 2.84Å; G41-D62 PolarHBondContact O-N 2.92Å |
| 42 | E | 88 | Confident | 79.8 | Confident | 37 Ų | 37 | 68.6 Ų | 68.6 | 17% | 0.173 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.7 | 166.3 | -64.2 | 176.5 | 159.7 | 0 | 0 | 110.2 | R35 C38 R39 N40 C59 I60 | R35-E42 IonicContact NE-OE1 3.58Å; R35-E42 IonicContact NE-OE2 3.6Å; C38-E42 HydrophobicContact CB-CB 3.94Å; R39-E42 HydrophobicContact CB-CG 4.25Å; R39-E42 PolarHBondContact N-OE2 2.97Å; R39-E42 WeakPolarHBondContact O-CB 3.07Å; R39-E42 PolarHBondContact O-N 3.28Å; N40-E42 VanDerWaalsContact C-N 3.33Å; E42-C59 HydrophobicContact CB-CB 4.13Å; E42-C59 WeakPolarHBondContact OE2-CB 3.35Å; E42-I60 CarbonylContact C-O 3.42Å; E42-I60 WeakPolarHBondContact CA-O 3.02Å; E42-I60 WeakPolarHBondContact CB-O 3.29Å |
| 43 | K | 87.8 | Confident | 79.5 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 20% | 0.204 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.4 | 170 | 64 | 174.1 | 162.4 | -136.9 | 0 | 111.9 | C59 I60 D62 S66 | K43-C59 WeakPolarHBondContact O-CA 3.42Å; K43-I60 HydrophobicContact CD-CD1 4.18Å; K43-I60 HydrophobicContact CD-CG1 4.29Å; K43-I60 VanDerWaalsContact CE-CD1 3.43Å; K43-I60 HydrophobicContact CG-CD1 3.94Å; K43-I60 HydrophobicContact CG-CG1 3.5Å; K43-I60 PolarHBondContact N-O 3.4Å; K43-I60 PolarHBondContact O-N 2.89Å; K43-D62 VanDerWaalsContact CD-OD2 3.28Å; K43-D62 WeakPolarHBondContact CD-OD2 2.98Å; K43-D62 WeakPolarHBondContact CE-OD2 3.31Å; K43-D62 HydrophobicContact CG-CB 4.43Å; K43-D62 IonicContact NZ-OD2 2.77Å; K43-D62 PolarHBondContact NZ-OD2 2.66Å; K43-S66 PolarHBondContact NZ-OG 2.87Å |
| 44 | M | 87.1 | Confident | 78.8 | Confident | 89 Ų | 89 | 80.9 Ų | 80.9 | 44% | 0.438 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 131.8 | 168.9 | 175.6 | -178.9 | 169.1 | 0 | 0 | 109.4 | L57 C58 | M44-L57 HydrophobicContact CE-CD2 3.74Å; M44-L57 HydrophobicContact CG-CB 4.37Å; M44-L57 HydrophobicContact SD-CB 4.43Å; M44-L57 HydrophobicContact SD-CD1 4.01Å; M44-L57 HydrophobicContact SD-CD2 3.75Å; M44-L57 HydrophobicContact SD-CG 4.27Å; M44-C58 WeakPolarHBondContact CA-O 3.05Å |
| 45 | I | 81.6 | Confident | 78.5 | Confident | 35 Ų | 35 | 88.5 Ų | 88.5 | 18% | 0.179 | 49% | 0.494 | C | S | . | . | trans | -97.5 | 138.1 | 168.3 | 62.4 | 164.5 | 0 | 0 | 0 | 111.1 | A28 T49 C58 I60 | A28-I45 HydrophobicContact CB-CD1 3.59Å; I45-T49 HydrophobicContact CD1-CG2 4.45Å; I45-C58 HydrophobicContact CD1-CB 4.19Å; I45-C58 VanDerWaalsContact CD1-SG 3.55Å; I45-C58 HydrophobicContact CG1-CB 3.7Å; I45-C58 PolarHBondContact N-O 3.12Å; I45-C58 VanDerWaalsContact N-O 3.12Å; I45-I60 HydrophobicContact CG2-CD1 3.43Å; I45-I60 VanDerWaalsContact CG2-CD1 3.43Å; I45-I60 HydrophobicContact CG2-CG1 3.82Å; I45-I60 HydrophobicContact CG2-CG2 4.43Å | ||
| 46 | N | 67.6 | Low | 78.3 | Confident | 114 Ų | 114 | 89.9 Ų | 89.9 | 61% | 0.61 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -128.9 | 129.4 | 175 | -161.1 | 42 | 0 | 0 | 0 | 109.2 | ||
| 47 | P | 63 | Low | 78.4 | Confident | 104 Ų | 104 | 89.2 Ų | 89.2 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | S | Bend | cis | -69.2 | 150.2 | 0.1 | 29.7 | -34.7 | 0 | 0 | 0 | 112 | T49 | P47-T49 PolarHBondContact O-N 3Š|
| 48 | P | 62 | Low | 78.4 | Confident | 58 Ų | 58 | 84 Ų | 84 | 38% | 0.377 | 46% | 0.46 | S | S | . | . | trans | -60.3 | 111.5 | 168.7 | 25 | -30.7 | 0 | 0 | 0 | 107.1 | G50 | P48-G50 VanDerWaalsContact O-CA 3.31Å; P48-G50 WeakPolarHBondContact O-CA 3.05Å; P48-G50 PolarHBondContact O-N 3.25Å | ||
| 49 | T | 63.1 | Low | 78.5 | Confident | 62 Ų | 62 | 82.7 Ų | 82.7 | 38% | 0.38 | 45% | 0.451 | S | S | . | . | trans | -52.5 | 110.8 | 168.3 | 47.6 | 0 | 0 | 0 | 0 | 106.2 | A28 I45 P47 M51 | A28-T49 PolarHBondContact N-OG1 2.77Å; I45-T49 HydrophobicContact CD1-CG2 4.45Å; P47-T49 PolarHBondContact O-N 3Å; T49-M51 PolarHBondContact O-N 3.33Å | ||
| 50 | G | 59.4 | Low | 78.6 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 79% | 0.794 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 47.1 | -145.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | P48 | P48-G50 VanDerWaalsContact O-CA 3.31Å; P48-G50 WeakPolarHBondContact O-CA 3.05Å; P48-G50 PolarHBondContact O-N 3.25Å |
| 51 | M | 69.9 | Low | 78.6 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 53% | 0.527 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -17.2 | 179 | -64.9 | -157.5 | 169.6 | 0 | 0 | 112.7 | R25 T49 | R25-M51 WeakPolarHBondContact CD-O 3.05Å; R25-M51 PolarHBondContact NE-O 2.81Å; R25-M51 PolarHBondContact NH1-O 2.04Å; T49-M51 PolarHBondContact O-N 3.33Å |
| 52 | C | 80.1 | Confident | 78.4 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 13% | 0.128 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -80.4 | 144 | 175.1 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | C34 K56 | C34-C52 VanDerWaalsContact CA-SG 3.52Å; C34-C52 HydrophobicContact CB-CB 3.77Å; C34-C52 WeakPolarHBondContact CB-SG 3.27Å; C34-C52 WeakPolarHBondContact SG-CA 3.42Å; C34-C52 WeakPolarHBondContact SG-CB 3.28Å; C34-C52 CovalentContact SG-SG 2.04Å; C34-C52 PolarHBondContact SG-SG 2.02Å; C52-K56 HydrophobicContact CB-CB 3.94Å; C52-K56 WeakPolarHBondContact CB-O 3.42Å |
| 53 | S | 80.2 | Confident | 77.3 | Confident | 71 Ų | 71 | 79.5 Ų | 79.5 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | trans | -55.1 | 154.7 | 169.2 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | E55 K56 | S53-E55 PolarHBondContact O-N 2.84Å; S53-K56 PolarHBondContact O-N 3.49Å | ||
| 54 | K | 73.8 | Confident | 75.9 | Confident | 221 Ų | 221 | 80.6 Ų | 80.6 | 96% | 0.961 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -22.7 | -175.5 | -64.3 | -177.9 | 179.7 | -179.8 | 0 | 114.5 | ||
| 55 | E | 79.9 | Confident | 74.4 | Confident | 171 Ų | 171 | 81.7 Ų | 81.7 | 80% | 0.799 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -0.3 | -177.5 | -42.4 | 177.6 | 156.4 | 0 | 0 | 113.3 | S53 | S53-E55 PolarHBondContact O-N 2.84Š|
| 56 | K | 83.8 | Confident | 72.8 | Confident | 81 Ų | 81 | 83.6 Ų | 83.6 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | trans | -116.6 | 134.4 | -173.2 | -63.2 | -80.2 | -178.3 | -176.6 | 0 | 109.6 | C34 R35 S36 C52 S53 | C34-K56 HydrophobicContact CB-CB 4.36Å; R35-K56 CarbonylContact O-C 3.51Å; R35-K56 WeakPolarHBondContact O-CA 3.44Å; S36-K56 PolarHBondContact OG-NZ 2.04Å; C52-K56 HydrophobicContact CB-CB 3.94Å; C52-K56 WeakPolarHBondContact CB-O 3.42Å; S53-K56 PolarHBondContact O-N 3.49Å | ||
| 57 | L | 86.3 | Confident | 72 | Confident | 56 Ų | 56 | 84.2 Ų | 84.2 | 29% | 0.293 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 148.4 | 174.3 | -48.3 | 179.4 | 0 | 0 | 0 | 110.1 | C34 R35 M44 | C34-L57 CarbonylContact C-O 3.52Å; C34-L57 VanDerWaalsContact CA-O 3.28Å; C34-L57 WeakPolarHBondContact CA-O 3.38Å; R35-L57 PolarHBondContact N-O 3.02Å; R35-L57 PolarHBondContact O-N 3.33Å; M44-L57 HydrophobicContact CE-CD2 3.74Å; M44-L57 HydrophobicContact CG-CB 4.37Å; M44-L57 HydrophobicContact SD-CB 4.43Å; M44-L57 HydrophobicContact SD-CD1 4.01Å; M44-L57 HydrophobicContact SD-CD2 3.75Å; M44-L57 HydrophobicContact SD-CG 4.27Å |
| 58 | C | 87.5 | Confident | 71.1 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 114.9 | 168.1 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | C27 M44 I45 | C27-C58 HydrophobicContact CB-CB 3.79Å; C27-C58 WeakPolarHBondContact CB-SG 3.45Å; C27-C58 WeakPolarHBondContact SG-CA 3.28Å; C27-C58 WeakPolarHBondContact SG-CB 3.4Å; C27-C58 CovalentContact SG-SG 2.02Å; C27-C58 PolarHBondContact SG-SG 2.91Å; M44-C58 WeakPolarHBondContact CA-O 3.05Å; I45-C58 HydrophobicContact CD1-CB 4.19Å; I45-C58 VanDerWaalsContact CD1-SG 3.55Å; I45-C58 HydrophobicContact CG1-CB 3.7Å; I45-C58 PolarHBondContact N-O 3.12Å; I45-C58 VanDerWaalsContact N-O 3.12Å |
| 59 | C | 88.7 | Confident | 70.5 | Confident | 1 Ų | 1 | 87 Ų | 87 | 1% | 0.007 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.5 | -177.8 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | G32 N33 C38 E42 K43 | G32-C59 CarbonylContact C-O 3.49Å; G32-C59 WeakPolarHBondContact CA-O 3.33Å; N33-C59 PolarHBondContact N-O 2.84Å; N33-C59 PolarHBondContact O-N 2.71Å; C38-C59 WeakPolarHBondContact CA-SG 3.15Å; C38-C59 HydrophobicContact CB-CB 3.76Å; C38-C59 WeakPolarHBondContact CB-SG 3.4Å; C38-C59 WeakPolarHBondContact SG-CB 3.4Å; C38-C59 CovalentContact SG-SG 2.04Å; C38-C59 PolarHBondContact SG-SG 2.81Å; E42-C59 HydrophobicContact CB-CB 4.13Å; E42-C59 WeakPolarHBondContact OE2-CB 3.35Å; K43-C59 WeakPolarHBondContact O-CA 3.42Å |
| 60 | I | 89.9 | Confident | 69.6 | Low | 30 Ų | 30 | 89.6 Ų | 89.6 | 15% | 0.154 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 153.5 | 174.8 | 62.1 | 172.5 | 0 | 0 | 0 | 109.3 | A28 E42 K43 I45 | A28-I60 HydrophobicContact CB-CG2 3.77Å; E42-I60 CarbonylContact C-O 3.42Å; E42-I60 WeakPolarHBondContact CA-O 3.02Å; E42-I60 WeakPolarHBondContact CB-O 3.29Å; K43-I60 HydrophobicContact CD-CD1 4.18Å; K43-I60 HydrophobicContact CD-CG1 4.29Å; K43-I60 VanDerWaalsContact CE-CD1 3.43Å; K43-I60 HydrophobicContact CG-CD1 3.94Å; K43-I60 HydrophobicContact CG-CG1 3.5Å; K43-I60 PolarHBondContact N-O 3.4Å; K43-I60 PolarHBondContact O-N 2.89Å; I45-I60 HydrophobicContact CG2-CD1 3.43Å; I45-I60 VanDerWaalsContact CG2-CD1 3.43Å; I45-I60 HydrophobicContact CG2-CG1 3.82Å; I45-I60 HydrophobicContact CG2-CG2 4.43Å |
| 61 | L | 87.1 | Confident | 68.8 | Low | 114 Ų | 114 | 94.8 Ų | 94.8 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 139.1 | 170.9 | -81.9 | 110 | 0 | 0 | 0 | 110.1 | D63 | L61-D63 PolarHBondContact O-N 3.35Å |
| 62 | D | 79.3 | Confident | 67.5 | Low | 78 Ų | 78 | 96 Ų | 96 | 42% | 0.417 | 54% | 0.544 | S | S | . | . | trans | -92.8 | 91.3 | 170.6 | -164.4 | -111.6 | 0 | 0 | 0 | 108.6 | G41 K43 G64 | G41-D62 PolarHBondContact O-N 2.92Å; K43-D62 VanDerWaalsContact CD-OD2 3.28Å; K43-D62 WeakPolarHBondContact CD-OD2 2.98Å; K43-D62 WeakPolarHBondContact CE-OD2 3.31Å; K43-D62 HydrophobicContact CG-CB 4.43Å; K43-D62 IonicContact NZ-OD2 2.77Å; K43-D62 PolarHBondContact NZ-OD2 2.66Å; D62-G64 PolarHBondContact O-N 2.99Å | ||
| 63 | D | 65.4 | Low | 65.6 | Low | 134 Ų | 134 | 99.6 Ų | 99.6 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | trans | -71.6 | 22.5 | 179.2 | -65.5 | -70.8 | 0 | 0 | 0 | 113.3 | L61 C65 | L61-D63 PolarHBondContact O-N 3.35Å; D63-C65 PolarHBondContact O-N 2.95Å | ||
| 64 | G | 59.1 | Low | 63.8 | Low | 70 Ų | 70 | 102.2 Ų | 102.2 | 72% | 0.722 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 64 | -5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D62 | D62-G64 PolarHBondContact O-N 2.99Š|
| 65 | C | 54.4 | Low | 62.2 | Low | 112 Ų | 112 | 97.5 Ų | 97.5 | 76% | 0.757 | 58% | 0.575 | S | S | * | * | trans | -127.9 | 65.3 | -176.9 | -165.6 | 0 | 0 | 0 | 0 | 110.5 | D63 | D63-C65 PolarHBondContact O-N 2.95Š| ||
| 66 | S | 48.3 | Very low | 60.1 | Low | 76 Ų | 76 | 92.8 Ų | 92.8 | 53% | 0.531 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -149.9 | 130.3 | 154.1 | -30.9 | 0 | 0 | 0 | 0 | 110.7 | K43 | K43-S66 PolarHBondContact NZ-OG 2.87Š|
| 67 | T | 51.2 | Low | 58 | Low | 127 Ų | 127 | 92.2 Ų | 92.2 | 78% | 0.779 | 59% | 0.59 | S | S | * | * | trans | -28.6 | 148.1 | 173.1 | 46.8 | 0 | 0 | 0 | 0 | 116 | S69 | T67-S69 PolarHBondContact O-N 3.43Š| ||
| 68 | P | 44.1 | Very low | 55.9 | Low | 128 Ų | 128 | 96 Ų | 96 | 83% | 0.831 | 62% | 0.621 | S | S | * | * | trans | -61 | 111.2 | -175.7 | 24 | -32.3 | 0 | 0 | 0 | 110.9 | V70 | P68-V70 PolarHBondContact O-N 3.07Š| ||
| 69 | S | 48.6 | Very low | 53.4 | Low | 92 Ų | 92 | 99.7 Ų | 99.7 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | trans | -74.5 | 120.2 | 163 | -158.7 | 0 | 0 | 0 | 0 | 107.3 | T67 K71 | T67-S69 PolarHBondContact O-N 3.43Å; S69-K71 PolarHBondContact O-N 3.01Å | ||
| 70 | V | 45.7 | Very low | 51.1 | Low | 117 Ų | 117 | 108.5 Ų | 108.5 | 71% | 0.709 | 70% | 0.702 | S | S | * | * | trans | -45.5 | 118 | -176.5 | -178 | 0 | 0 | 0 | 0 | 110.6 | P68 N72 | P68-V70 PolarHBondContact O-N 3.07Å; V70-N72 VanDerWaalsContact C-N 3.32Å; V70-N72 VanDerWaalsContact CG1-OD1 3.3Å; V70-N72 WeakPolarHBondContact CG1-OD1 3.3Å; V70-N72 PolarHBondContact O-N 3.07Å | ||
| 71 | K | 41.7 | Very low | 49.2 | Very low | 185 Ų | 185 | 114.9 Ų | 114.9 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -67.5 | 87.1 | 173.4 | -173.8 | -174.1 | -177.9 | -170.4 | 0 | 109.1 | S69 T73 | S69-K71 PolarHBondContact O-N 3.01Å; K71-T73 VanDerWaalsContact C-N 3.32Å; K71-T73 PolarHBondContact O-N 3.17Å | ||
| 72 | N | 42.2 | Very low | 47 | Very low | 134 Ų | 134 | 115.6 Ų | 115.6 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | -78.8 | 89.2 | 165.1 | -79.9 | 25.5 | 0 | 0 | 0 | 108.6 | V70 | V70-N72 VanDerWaalsContact C-N 3.32Å; V70-N72 VanDerWaalsContact CG1-OD1 3.3Å; V70-N72 WeakPolarHBondContact CG1-OD1 3.3Å; V70-N72 PolarHBondContact O-N 3.07Å | ||
| 73 | T | 40.5 | Very low | 45.4 | Very low | 94 Ų | 94 | 116.8 Ų | 116.8 | 58% | 0.577 | 77% | 0.77 | S | S | * | * | trans | -52.8 | 134.9 | 160.9 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | K71 S75 | K71-T73 VanDerWaalsContact C-N 3.32Å; K71-T73 PolarHBondContact O-N 3.17Å; T73-S75 PolarHBondContact O-N 2.9Å | ||
| 74 | P | 43.2 | Very low | 44.2 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -74.9 | 99.4 | 170.8 | 29.5 | -28.6 | 0 | 0 | 0 | 108.5 | G76 | P74-G76 PolarHBondContact O-N 3.43Š| ||
| 75 | S | 39.2 | Very low | 43.2 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -87.4 | 98 | 166.9 | -166 | 0 | 0 | 0 | 0 | 108.3 | T73 | T73-S75 PolarHBondContact O-N 2.9Š| ||
| 76 | G | 36.5 | Very low | 42.6 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -72.5 | 129 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P74 | P74-G76 PolarHBondContact O-N 3.43Š| ||
| 77 | G | 38.4 | Very low | 42 | Very low | 69 Ų | 69 | 120.8 Ų | 120.8 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 87.8 | 102.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 78 | S | 43.6 | Very low | 41.4 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | 76.5 | 114.9 | 135.4 | -59.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 79 | G | 35.5 | Very low | 41.6 | Very low | 77 Ų | 77 | 120.3 Ų | 120.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 176.4 | 67.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 80 | M | 39.1 | Very low | 41.3 | Very low | 186 Ų | 186 | 123.2 Ų | 123.2 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | 23.6 | 122.5 | 154.6 | -61 | 179.9 | -177.2 | 0 | 0 | 120.9 | ||||
| 81 | I | 49.4 | Very low | 40.6 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -29.6 | 138.3 | 149.3 | 44 | 156.3 | 0 | 0 | 0 | 115.7 | ||||
| 82 | S | 40.8 | Very low | 40.5 | Very low | 130 Ų | 130 | 117.6 Ų | 117.6 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -159.7 | 123.3 | 137.5 | -80.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 83 | A | 47 | Very low | 40.3 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | trans | -96.9 | 146.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 84 | A | 40.4 | Very low | 40.3 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 77% | 0.769 | 85% | 0.851 | S | S | * | * | trans | 143.7 | 144 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 85 | T | 37.3 | Very low | 40.1 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.724 | 85% | 0.853 | S | S | * | * | cis | -171.6 | 153.2 | -3.4 | -86.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 86 | E | 42.7 | Very low | 40.2 | Very low | 188 Ų | 188 | 122.1 Ų | 122.1 | 88% | 0.879 | 85% | 0.853 | S | S | * | * | trans | -3.1 | 139.3 | 162 | -55.8 | 176.7 | 140.1 | 0 | 0 | 120.5 | ||||
| 87 | G | 35.8 | Very low | 40.4 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 86% | 0.859 | S | S | * | * | trans | 154.2 | 105.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 88 | S | 37.1 | Very low | 40.5 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 86% | 0.86 | 87% | 0.868 | S | S | * | * | trans | 91.6 | 122.8 | 136.9 | -139.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 89 | T | 49.6 | Very low | 40.3 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 75% | 0.748 | 86% | 0.863 | S | S | * | * | trans | -62.6 | 148.1 | 172.4 | 43 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 90 | T | 41.1 | Very low | 40.7 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 94% | 0.939 | 87% | 0.868 | S | S | * | * | trans | -176.4 | 143.2 | 134.8 | 24.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 91 | G | 32.6 | Very low | 40.8 | Very low | 67 Ų | 67 | 127.4 Ų | 127.4 | 69% | 0.691 | 86% | 0.864 | S | S | * | * | trans | 141.8 | 83.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 92 | S | 39.3 | Very low | 40.1 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 82% | 0.818 | 87% | 0.866 | S | S | * | * | 66.2 | 92.7 | 81.3 | -60 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 93 | S | 37.1 | Very low | 40 | Very low | 202 Ų | 202 | 123.9 Ų | 123.9 | 100% | 1.413 | 86% | 0.862 | S | S | * | * | trans | -170.7 | 0 | 135.4 | -73 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 93 of 93 residues in 45.8 ms
(Link to these results)