| 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 | 45 | Very low | 51.4 | Low | 205 Ų | 205 | 131.1 Ų | 131.1 | 100% | 1.01 | 73% | 0.725 | S | S | * | * | 0 | 106.4 | 0 | -121.3 | -172.8 | -96.2 | 0 | 0 | 106.9 | Y3 | M1-Y3 HydrophobicContact CB-CE2 4.35Å; M1-Y3 HydrophobicContact SD-CE2 4.43Å | |||
| 2 | I | 49.6 | Very low | 52 | Low | 173 Ų | 173 | 128.7 Ų | 128.7 | 89% | 0.887 | 71% | 0.71 | S | S | * | * | trans | -91.5 | 107.2 | 178.8 | -59.1 | 174.1 | 0 | 0 | 0 | 105.9 | A4 | I2-A4 PolarHBondContact O-N 3.14Š| ||
| 3 | Y | 45.9 | Very low | 52.3 | Low | 192 Ų | 192 | 127 Ų | 127 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | -76 | 102.1 | 172.6 | -74.1 | -88.4 | 0 | 0 | 0 | 107.6 | M1 T5 | M1-Y3 HydrophobicContact CB-CE2 4.35Å; M1-Y3 HydrophobicContact SD-CE2 4.43Å; Y3-T5 PolarHBondContact O-N 2.81Å | ||
| 4 | A | 53.2 | Low | 52.4 | Low | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 70% | 0.695 | S | S | * | * | trans | -66.7 | 103.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | I2 A6 | I2-A4 PolarHBondContact O-N 3.14Å; A4-A6 PolarHBondContact O-N 3.23Å | ||
| 5 | T | 51.1 | Low | 52.9 | Low | 97 Ų | 97 | 129.5 Ų | 129.5 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | trans | -64.5 | 124.1 | 173 | 38.1 | 0 | 0 | 0 | 0 | 108.4 | Y3 Q7 | Y3-T5 PolarHBondContact O-N 2.81Å; T5-Q7 PolarHBondContact O-N 2.88Å | ||
| 6 | A | 54.8 | Low | 53.3 | Low | 97 Ų | 97 | 130.3 Ų | 130.3 | 80% | 0.802 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 23.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A4 | A4-A6 PolarHBondContact O-N 3.23Š|
| 7 | Q | 53.4 | Low | 53.6 | Low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -12 | -176.5 | -71.5 | -171.7 | -27.9 | 0 | 0 | 113.6 | T5 | T5-Q7 PolarHBondContact O-N 2.88Š|
| 8 | D | 51.7 | Low | 53.9 | Low | 150 Ų | 150 | 125.3 Ų | 125.3 | 80% | 0.802 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -96.1 | -4.8 | 177.4 | -79.7 | -32 | 0 | 0 | 0 | 114.3 | ||
| 9 | A | 52.1 | Low | 54.2 | Low | 53 Ų | 53 | 121.6 Ų | 121.6 | 44% | 0.438 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -91 | 125.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 10 | F | 52.2 | Low | 54.5 | Low | 122 Ų | 122 | 119.7 Ų | 119.7 | 54% | 0.535 | 65% | 0.65 | S | S | . | * | trans | 94.7 | 41.2 | 162.9 | -46.7 | -69.8 | 0 | 0 | 0 | 120.7 | D12 E13 | F10-D12 PolarHBondContact O-N 3.13Å; F10-E13 HydrophobicContact CB-CB 3.96Å; F10-E13 HydrophobicContact CD1-CB 4.11Å; F10-E13 HydrophobicContact CD1-CG 4.29Å; F10-E13 VanDerWaalsContact CD1-OE2 3.22Å; F10-E13 WeakPolarHBondContact CD1-OE2 3.42Å; F10-E13 HydrophobicContact CG-CB 4.39Å | ||
| 11 | P | 56.7 | Low | 54.7 | Low | 85 Ų | 85 | 119.4 Ų | 119.4 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.9 | -25.5 | 163.4 | 26.3 | -31.4 | 0 | 0 | 0 | 112.6 | K15 | P11-K15 WeakPolarHBondContact O-CD 3.33Å; P11-K15 VanDerWaalsContact O-CG 3.27Å; P11-K15 WeakPolarHBondContact O-CG 3.37Å |
| 12 | D | 58.1 | Low | 55.3 | Low | 102 Ų | 102 | 111.6 Ų | 111.6 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -87.3 | -28.3 | -177.2 | -75.5 | -18.1 | 0 | 0 | 0 | 114.3 | F10 K15 K16 | F10-D12 PolarHBondContact O-N 3.13Å; D12-K15 IonicContact OD1-NZ 3.9Å; D12-K16 WeakPolarHBondContact O-CG 3.45Å; D12-K16 PolarHBondContact O-N 2.8Å; D12-K16 VanDerWaalsContact O-N 3.12Å |
| 13 | E | 55.6 | Low | 55.7 | Low | 107 Ų | 107 | 109.2 Ų | 109.2 | 50% | 0.5 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.9 | -37 | 177.2 | -110.7 | 178.7 | -165.6 | 0 | 0 | 111.7 | F10 K15 K16 N17 | F10-E13 HydrophobicContact CB-CB 3.96Å; F10-E13 HydrophobicContact CD1-CB 4.11Å; F10-E13 HydrophobicContact CD1-CG 4.29Å; F10-E13 VanDerWaalsContact CD1-OE2 3.22Å; F10-E13 WeakPolarHBondContact CD1-OE2 3.42Å; F10-E13 HydrophobicContact CG-CB 4.39Å; E13-K15 PolarHBondContact O-N 3.05Å; E13-K16 PolarHBondContact O-N 2.97Å; E13-N17 PolarHBondContact O-N 2.91Å |
| 14 | Q | 54.9 | Low | 56.3 | Low | 152 Ų | 152 | 104.2 Ų | 104.2 | 71% | 0.71 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.6 | -37.4 | 172.1 | -68.3 | -150.8 | 12.5 | 0 | 0 | 112.4 | N17 A18 | Q14-N17 PolarHBondContact O-N 3.38Å; Q14-A18 WeakPolarHBondContact O-CB 3.08Å; Q14-A18 PolarHBondContact O-N 3.26Å |
| 15 | K | 59.1 | Low | 56.5 | Low | 139 Ų | 139 | 104.3 Ų | 104.3 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.8 | -41.5 | 174 | -75.5 | 173.1 | -171.5 | 170.1 | 0 | 112.2 | P11 D12 E13 A18 A19 | P11-K15 WeakPolarHBondContact O-CD 3.33Å; P11-K15 VanDerWaalsContact O-CG 3.27Å; P11-K15 WeakPolarHBondContact O-CG 3.37Å; D12-K15 IonicContact OD1-NZ 3.9Å; E13-K15 PolarHBondContact O-N 3.05Å; K15-A18 PolarHBondContact O-N 2.95Å; K15-A19 WeakPolarHBondContact O-CB 3.47Å; K15-A19 PolarHBondContact O-N 3.36Å |
| 16 | K | 58.9 | Low | 56.8 | Low | 142 Ų | 142 | 108.8 Ų | 108.8 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 176.1 | -73.5 | 174.9 | -176 | 177 | 0 | 112.2 | D12 E13 A19 T20 | D12-K16 WeakPolarHBondContact O-CG 3.45Å; D12-K16 PolarHBondContact O-N 2.8Å; D12-K16 VanDerWaalsContact O-N 3.12Å; E13-K16 PolarHBondContact O-N 2.97Å; K16-A19 PolarHBondContact O-N 3.32Å; K16-T20 WeakPolarHBondContact O-CB 3.31Å; K16-T20 PolarHBondContact O-N 3.33Å; K16-T20 PolarHBondContact O-OG1 2.98Å |
| 17 | N | 58.7 | Low | 56.9 | Low | 109 Ų | 109 | 105.9 Ų | 105.9 | 58% | 0.583 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.5 | -42.5 | 177.1 | -73.1 | -13.3 | 0 | 0 | 0 | 111.9 | E13 Q14 T20 L21 | E13-N17 PolarHBondContact O-N 2.91Å; Q14-N17 PolarHBondContact O-N 3.38Å; N17-T20 PolarHBondContact O-N 2.93Å; N17-L21 PolarHBondContact O-N 3.35Å |
| 18 | A | 59.2 | Low | 57 | Low | 63 Ų | 63 | 100.8 Ų | 100.8 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q14 K15 T20 L21 A22 | Q14-A18 WeakPolarHBondContact O-CB 3.08Å; Q14-A18 PolarHBondContact O-N 3.26Å; K15-A18 PolarHBondContact O-N 2.95Å; A18-T20 VanDerWaalsContact C-N 3.35Å; A18-T20 PolarHBondContact O-N 3.03Å; A18-L21 PolarHBondContact O-N 2.97Å; A18-A22 WeakPolarHBondContact O-CB 3.26Å; A18-A22 PolarHBondContact O-N 3.45Å |
| 19 | A | 60 | Low | 57.2 | Low | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | K15 K16 A22 I23 | K15-A19 WeakPolarHBondContact O-CB 3.47Å; K15-A19 PolarHBondContact O-N 3.36Å; K16-A19 PolarHBondContact O-N 3.32Å; A19-A22 PolarHBondContact O-N 2.84Å; A19-I23 WeakPolarHBondContact O-CG1 3.27Å; A19-I23 PolarHBondContact O-N 3.35Å |
| 20 | T | 59.8 | Low | 57.4 | Low | 82 Ų | 82 | 105.2 Ų | 105.2 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 176.9 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | K16 N17 A18 A22 I23 V24 | K16-T20 WeakPolarHBondContact O-CB 3.31Å; K16-T20 PolarHBondContact O-N 3.33Å; K16-T20 PolarHBondContact O-OG1 2.98Å; N17-T20 PolarHBondContact O-N 2.93Å; A18-T20 VanDerWaalsContact C-N 3.35Å; A18-T20 PolarHBondContact O-N 3.03Å; T20-A22 VanDerWaalsContact C-N 3.3Å; T20-A22 PolarHBondContact O-N 3.07Å; T20-I23 PolarHBondContact O-N 2.92Å; T20-V24 WeakPolarHBondContact O-CG2 3.36Å; T20-V24 PolarHBondContact O-N 3.12Å |
| 21 | L | 58.6 | Low | 57.7 | Low | 115 Ų | 115 | 106 Ų | 106 | 60% | 0.602 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.7 | -42.3 | 175.5 | -140.7 | 90.7 | 0 | 0 | 0 | 111.2 | N17 A18 I23 V24 I25 | N17-L21 PolarHBondContact O-N 3.35Å; A18-L21 PolarHBondContact O-N 2.97Å; L21-I23 PolarHBondContact O-N 2.96Å; L21-V24 PolarHBondContact O-N 3.48Å; L21-I25 HydrophobicContact CD2-CD1 3.98Å; L21-I25 HydrophobicContact CG-CD1 4.2Å; L21-I25 WeakPolarHBondContact O-CB 3.5Å; L21-I25 WeakPolarHBondContact O-CD1 3.5Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 3.37Å |
| 22 | A | 57.2 | Low | 57.8 | Low | 40 Ų | 40 | 105.8 Ų | 105.8 | 33% | 0.331 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A18 A19 T20 R26 | A18-A22 WeakPolarHBondContact O-CB 3.26Å; A18-A22 PolarHBondContact O-N 3.45Å; A19-A22 PolarHBondContact O-N 2.84Å; T20-A22 VanDerWaalsContact C-N 3.3Å; T20-A22 PolarHBondContact O-N 3.07Å; A22-R26 WeakPolarHBondContact O-CB 3.46Å; A22-R26 VanDerWaalsContact O-CG 3.3Å; A22-R26 WeakPolarHBondContact O-CG 3.25Å; A22-R26 PolarHBondContact O-N 2.96Å |
| 23 | I | 58.9 | Low | 58 | Low | 124 Ų | 124 | 104.8 Ų | 104.8 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.7 | -45.2 | 174.2 | -68 | 164.5 | 0 | 0 | 0 | 110.4 | A19 T20 L21 R26 G27 | A19-I23 WeakPolarHBondContact O-CG1 3.27Å; A19-I23 PolarHBondContact O-N 3.35Å; T20-I23 PolarHBondContact O-N 2.92Å; L21-I23 PolarHBondContact O-N 2.96Å; I23-R26 PolarHBondContact O-N 3.12Å; I23-G27 PolarHBondContact O-N 3.02Å |
| 24 | V | 58.7 | Low | 58.2 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.9 | -46.8 | 177.5 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | T20 L21 R26 G27 T28 | T20-V24 WeakPolarHBondContact O-CG2 3.36Å; T20-V24 PolarHBondContact O-N 3.12Å; L21-V24 PolarHBondContact O-N 3.48Å; V24-R26 PolarHBondContact O-N 2.83Å; V24-G27 PolarHBondContact O-N 3.28Å; V24-G27 VanDerWaalsContact O-N 3.16Å; V24-T28 HydrophobicContact CG1-CG2 4.25Å; V24-T28 WeakPolarHBondContact O-CG2 3.42Å; V24-T28 PolarHBondContact O-N 3.43Å; V24-T28 PolarHBondContact O-OG1 2.82Å; V24-T28 VanDerWaalsContact O-OG1 3.11Å |
| 25 | I | 57.7 | Low | 58.4 | Low | 98 Ų | 98 | 107.8 Ų | 107.8 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 178.8 | -67.1 | 164.2 | 0 | 0 | 0 | 111.5 | L21 G27 T28 H29 | L21-I25 HydrophobicContact CD2-CD1 3.98Å; L21-I25 HydrophobicContact CG-CD1 4.2Å; L21-I25 WeakPolarHBondContact O-CB 3.5Å; L21-I25 WeakPolarHBondContact O-CD1 3.5Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 3.37Å; I25-G27 VanDerWaalsContact C-N 3.34Å; I25-T28 WeakPolarHBondContact CA-OG1 3.39Å; I25-T28 PolarHBondContact O-OG1 3.17Å; I25-H29 WeakPolarHBondContact O-CB 3.44Å; I25-H29 PolarHBondContact O-N 3.47Å |
| 26 | R | 56.6 | Low | 58.5 | Low | 192 Ų | 192 | 103.7 Ų | 103.7 | 73% | 0.725 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -36.2 | 174.7 | -74.7 | -179.5 | -166.6 | -176.2 | 5.3 | 112.3 | A22 I23 V24 R30 | A22-R26 WeakPolarHBondContact O-CB 3.46Å; A22-R26 VanDerWaalsContact O-CG 3.3Å; A22-R26 WeakPolarHBondContact O-CG 3.25Å; A22-R26 PolarHBondContact O-N 2.96Å; I23-R26 PolarHBondContact O-N 3.12Å; V24-R26 PolarHBondContact O-N 2.83Å; R26-R30 PolarHBondContact O-N 2.98Å |
| 27 | G | 56.9 | Low | 58.8 | Low | 35 Ų | 35 | 101.1 Ų | 101.1 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I23 V24 I25 R30 Q31 | I23-G27 PolarHBondContact O-N 3.02Å; V24-G27 PolarHBondContact O-N 3.28Å; V24-G27 VanDerWaalsContact O-N 3.16Å; I25-G27 VanDerWaalsContact C-N 3.34Å; G27-R30 PolarHBondContact O-N 3.37Å; G27-Q31 WeakPolarHBondContact O-CG 3.39Å; G27-Q31 PolarHBondContact O-N 3.14Å |
| 28 | T | 55 | Low | 59 | Low | 65 Ų | 65 | 104.6 Ų | 104.6 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 178.9 | 55 | 0 | 0 | 0 | 0 | 111.4 | V24 I25 R30 Q31 T32 | V24-T28 HydrophobicContact CG1-CG2 4.25Å; V24-T28 WeakPolarHBondContact O-CG2 3.42Å; V24-T28 PolarHBondContact O-N 3.43Å; V24-T28 PolarHBondContact O-OG1 2.82Å; V24-T28 VanDerWaalsContact O-OG1 3.11Å; I25-T28 WeakPolarHBondContact CA-OG1 3.39Å; I25-T28 PolarHBondContact O-OG1 3.17Å; T28-R30 VanDerWaalsContact C-N 3.35Å; T28-R30 PolarHBondContact O-N 3.46Å; T28-Q31 PolarHBondContact O-N 3.37Å; T28-T32 PolarHBondContact O-N 2.92Å; T28-T32 PolarHBondContact O-OG1 2.89Å |
| 29 | H | 56 | Low | 59.2 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57 | -45.9 | 175.8 | -169.4 | -72.5 | 0 | 0 | 0 | 112.3 | I25 Q31 T32 D33 | I25-H29 WeakPolarHBondContact O-CB 3.44Å; I25-H29 PolarHBondContact O-N 3.47Å; H29-Q31 VanDerWaalsContact C-N 3.26Å; H29-Q31 PolarHBondContact O-N 2.89Å; H29-T32 PolarHBondContact O-N 2.87Å; H29-D33 IonicContact CE1-OD1 2.98Å; H29-D33 PolarHBondContact CE1-OD1 2.81Å; H29-D33 IonicContact CE1-OD2 3.97Å; H29-D33 PolarHBondContact CE1-OD2 2.83Å; H29-D33 IonicContact CG-OD2 3.72Å; H29-D33 IonicContact ND1-OD1 2.74Å; H29-D33 IonicContact ND1-OD2 3.46Å; H29-D33 PolarHBondContact ND1-OD2 3.46Å; H29-D33 VanDerWaalsContact O-CG 3.23Å; H29-D33 PolarHBondContact O-N 3.48Å |
| 30 | R | 56.3 | Low | 59.2 | Low | 184 Ų | 184 | 111.4 Ų | 111.4 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.1 | -30 | 177.3 | -76.4 | -176.9 | 173.5 | -179.9 | -1.1 | 113.3 | R26 G27 T28 R34 | R26-R30 PolarHBondContact O-N 2.98Å; G27-R30 PolarHBondContact O-N 3.37Å; T28-R30 VanDerWaalsContact C-N 3.35Å; T28-R30 PolarHBondContact O-N 3.46Å; R30-R34 WeakPolarHBondContact O-CG 3.46Å; R30-R34 PolarHBondContact O-N 3.15Å |
| 31 | Q | 58 | Low | 59.4 | Low | 139 Ų | 139 | 113.8 Ų | 113.8 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76.4 | -44.4 | 176.1 | -72.7 | -179.1 | -22.6 | 0 | 0 | 111.2 | G27 T28 H29 R34 Q35 | G27-Q31 WeakPolarHBondContact O-CG 3.39Å; G27-Q31 PolarHBondContact O-N 3.14Å; T28-Q31 PolarHBondContact O-N 3.37Å; H29-Q31 VanDerWaalsContact C-N 3.26Å; H29-Q31 PolarHBondContact O-N 2.89Å; Q31-R34 PolarHBondContact O-N 2.95Å; Q31-Q35 WeakPolarHBondContact O-CB 3.46Å; Q31-Q35 PolarHBondContact O-N 2.82Å |
| 32 | T | 60.1 | Low | 59.5 | Low | 79 Ų | 79 | 112.8 Ų | 112.8 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 176.1 | -48.7 | 0 | 0 | 0 | 0 | 110.9 | T28 H29 R34 Q35 T36 | T28-T32 PolarHBondContact O-N 2.92Å; T28-T32 PolarHBondContact O-OG1 2.89Å; H29-T32 PolarHBondContact O-N 2.87Å; T32-R34 PolarHBondContact O-N 3.23Å; T32-Q35 PolarHBondContact O-N 3.46Å; T32-Q35 VanDerWaalsContact O-N 3.15Å; T32-T36 WeakPolarHBondContact O-CB 3.4Å; T32-T36 PolarHBondContact O-N 3.32Å; T32-T36 PolarHBondContact O-OG1 2.98Å |
| 33 | D | 61.1 | Low | 59.4 | Low | 82 Ų | 82 | 113.1 Ų | 113.1 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 178.9 | -70.3 | -27.9 | 0 | 0 | 0 | 112.4 | H29 Q35 T36 E37 | H29-D33 IonicContact CE1-OD1 2.98Å; H29-D33 PolarHBondContact CE1-OD1 2.81Å; H29-D33 IonicContact CE1-OD2 3.97Å; H29-D33 PolarHBondContact CE1-OD2 2.83Å; H29-D33 IonicContact CG-OD2 3.72Å; H29-D33 IonicContact ND1-OD1 2.74Å; H29-D33 IonicContact ND1-OD2 3.46Å; H29-D33 PolarHBondContact ND1-OD2 3.46Å; H29-D33 VanDerWaalsContact O-CG 3.23Å; H29-D33 PolarHBondContact O-N 3.48Å; D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 PolarHBondContact O-N 2.86Å; D33-T36 PolarHBondContact O-N 3.07Å; D33-E37 VanDerWaalsContact O-CB 3.25Å; D33-E37 WeakPolarHBondContact O-CB 3.42Å; D33-E37 PolarHBondContact O-N 2.92Å |
| 34 | R | 60.4 | Low | 59.2 | Low | 201 Ų | 201 | 113.3 Ų | 113.3 | 76% | 0.758 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -36.9 | 178.4 | -75.6 | 179.4 | 178.1 | 176 | -0.2 | 112 | R30 Q31 T32 R38 | R30-R34 WeakPolarHBondContact O-CG 3.46Å; R30-R34 PolarHBondContact O-N 3.15Å; Q31-R34 PolarHBondContact O-N 2.95Å; T32-R34 PolarHBondContact O-N 3.23Å; R34-R38 WeakPolarHBondContact O-CB 3.33Å; R34-R38 PolarHBondContact O-N 3.37Å; R34-R38 VanDerWaalsContact O-N 3.12Å |
| 35 | Q | 60.4 | Low | 59.1 | Low | 121 Ų | 121 | 112.7 Ų | 112.7 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.7 | -46.6 | 177.9 | -174.3 | 175 | -21.4 | 0 | 0 | 111 | Q31 T32 D33 E37 R38 E39 | Q31-Q35 WeakPolarHBondContact O-CB 3.46Å; Q31-Q35 PolarHBondContact O-N 2.82Å; T32-Q35 PolarHBondContact O-N 3.46Å; T32-Q35 VanDerWaalsContact O-N 3.15Å; D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 PolarHBondContact O-N 2.86Å; Q35-E37 VanDerWaalsContact C-N 3.33Å; Q35-E37 PolarHBondContact O-N 3.31Å; Q35-R38 WeakPolarHBondContact O-CB 3.39Å; Q35-R38 PolarHBondContact O-N 3.32Å; Q35-R38 VanDerWaalsContact O-N 3.17Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.36Å; Q35-E39 PolarHBondContact NE2-OE1 2.94Å; Q35-E39 VanDerWaalsContact NE2-OE1 3.14Å; Q35-E39 WeakPolarHBondContact O-CG 3.41Å; Q35-E39 PolarHBondContact O-N 2.86Å |
| 36 | T | 60.8 | Low | 58.9 | Low | 53 Ų | 53 | 112.5 Ų | 112.5 | 33% | 0.325 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 177 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | T32 D33 E39 R40 | T32-T36 WeakPolarHBondContact O-CB 3.4Å; T32-T36 PolarHBondContact O-N 3.32Å; T32-T36 PolarHBondContact O-OG1 2.98Å; D33-T36 PolarHBondContact O-N 3.07Å; T36-E39 PolarHBondContact O-N 2.98Å; T36-R40 WeakPolarHBondContact O-CB 3.41Å; T36-R40 WeakPolarHBondContact O-CG 3.35Å; T36-R40 PolarHBondContact O-N 2.98Å |
| 37 | E | 64.1 | Low | 58.7 | Low | 88 Ų | 88 | 112.1 Ų | 112.1 | 41% | 0.411 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 174.6 | -173.5 | 60.2 | -159.1 | 0 | 0 | 111.8 | D33 Q35 R40 K41 | D33-E37 VanDerWaalsContact O-CB 3.25Å; D33-E37 WeakPolarHBondContact O-CB 3.42Å; D33-E37 PolarHBondContact O-N 2.92Å; Q35-E37 VanDerWaalsContact C-N 3.33Å; Q35-E37 PolarHBondContact O-N 3.31Å; E37-R40 PolarHBondContact O-N 2.74Å; E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 3.46Å; E37-K41 VanDerWaalsContact OE1-CE 3.31Å; E37-K41 WeakPolarHBondContact OE1-CE 3.47Å |
| 38 | R | 63.7 | Low | 58.2 | Low | 181 Ų | 181 | 113.7 Ų | 113.7 | 68% | 0.683 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.9 | -42.7 | 173.6 | -170.5 | -178.2 | -178.1 | -158.7 | 0.9 | 111.3 | R34 Q35 K41 I42 | R34-R38 WeakPolarHBondContact O-CB 3.33Å; R34-R38 PolarHBondContact O-N 3.37Å; R34-R38 VanDerWaalsContact O-N 3.12Å; Q35-R38 WeakPolarHBondContact O-CB 3.39Å; Q35-R38 PolarHBondContact O-N 3.32Å; Q35-R38 VanDerWaalsContact O-N 3.17Å; R38-K41 PolarHBondContact O-N 3.46Å; R38-I42 HydrophobicContact CG-CD1 4.05Å; R38-I42 VanDerWaalsContact O-CG1 3.26Å; R38-I42 WeakPolarHBondContact O-CG1 3.46Å; R38-I42 PolarHBondContact O-N 2.91Å |
| 39 | E | 62.3 | Low | 57.8 | Low | 100 Ų | 100 | 114.8 Ų | 114.8 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.6 | -41 | 176.6 | -73 | 171.3 | -170.4 | 0 | 0 | 111.7 | Q35 T36 I42 A43 | Q35-E39 WeakPolarHBondContact CG-OE1 3.36Å; Q35-E39 PolarHBondContact NE2-OE1 2.94Å; Q35-E39 VanDerWaalsContact NE2-OE1 3.14Å; Q35-E39 WeakPolarHBondContact O-CG 3.41Å; Q35-E39 PolarHBondContact O-N 2.86Å; T36-E39 PolarHBondContact O-N 2.98Å; E39-I42 PolarHBondContact O-N 3.16Å; E39-A43 VanDerWaalsContact O-CB 3.27Å; E39-A43 WeakPolarHBondContact O-CB 3.19Å; E39-A43 PolarHBondContact O-N 3.11Å |
| 40 | R | 61 | Low | 57.3 | Low | 161 Ų | 161 | 118.3 Ų | 118.3 | 61% | 0.608 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.5 | -44.7 | 172.6 | -78.8 | -178.6 | 179.9 | 179.1 | 0.5 | 112.1 | T36 E37 A43 L44 | T36-R40 WeakPolarHBondContact O-CB 3.41Å; T36-R40 WeakPolarHBondContact O-CG 3.35Å; T36-R40 PolarHBondContact O-N 2.98Å; E37-R40 PolarHBondContact O-N 2.74Å; R40-A43 PolarHBondContact O-N 3.29Å; R40-L44 WeakPolarHBondContact O-CB 3.3Å; R40-L44 PolarHBondContact O-N 2.99Å |
| 41 | K | 63.3 | Low | 56.8 | Low | 132 Ų | 132 | 116.9 Ų | 116.9 | 57% | 0.574 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.1 | -40.4 | 176.8 | -75 | 178.1 | -178.3 | 179.4 | 0 | 112.4 | E37 R38 A45 | E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 3.46Å; E37-K41 VanDerWaalsContact OE1-CE 3.31Å; E37-K41 WeakPolarHBondContact OE1-CE 3.47Å; R38-K41 PolarHBondContact O-N 3.46Å; K41-A45 WeakPolarHBondContact O-CB 3.36Å; K41-A45 PolarHBondContact O-N 3.46Å |
| 42 | I | 61.1 | Low | 56.2 | Low | 94 Ų | 94 | 116.4 Ų | 116.4 | 48% | 0.482 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.2 | -44.2 | 174.5 | -67.2 | 165.4 | 0 | 0 | 0 | 110.2 | R38 E39 L44 A45 C46 | R38-I42 HydrophobicContact CG-CD1 4.05Å; R38-I42 VanDerWaalsContact O-CG1 3.26Å; R38-I42 WeakPolarHBondContact O-CG1 3.46Å; R38-I42 PolarHBondContact O-N 2.91Å; E39-I42 PolarHBondContact O-N 3.16Å; I42-L44 PolarHBondContact O-N 3.02Å; I42-A45 PolarHBondContact O-N 3.38Å; I42-C46 WeakPolarHBondContact O-CB 3.42Å; I42-C46 PolarHBondContact O-N 2.97Å; I42-C46 PolarHBondContact O-SG 3.47Å |
| 43 | A | 55.4 | Low | 55.3 | Low | 48 Ų | 48 | 120.7 Ų | 120.7 | 40% | 0.397 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.5 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E39 R40 C46 K47 | E39-A43 VanDerWaalsContact O-CB 3.27Å; E39-A43 WeakPolarHBondContact O-CB 3.19Å; E39-A43 PolarHBondContact O-N 3.11Å; R40-A43 PolarHBondContact O-N 3.29Å; A43-C46 PolarHBondContact O-N 2.85Å; A43-K47 WeakPolarHBondContact O-CB 3.45Å; A43-K47 WeakPolarHBondContact O-CG 3.27Å; A43-K47 PolarHBondContact O-N 3.01Å |
| 44 | L | 54.3 | Low | 54.5 | Low | 128 Ų | 128 | 122.5 Ų | 122.5 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.5 | -42.7 | 173.8 | -84.6 | 155.4 | 0 | 0 | 0 | 111.8 | R40 I42 C46 K47 G48 | R40-L44 WeakPolarHBondContact O-CB 3.3Å; R40-L44 PolarHBondContact O-N 2.99Å; I42-L44 PolarHBondContact O-N 3.02Å; L44-C46 VanDerWaalsContact C-N 3.26Å; L44-C46 PolarHBondContact O-N 2.8Å; L44-K47 PolarHBondContact O-N 2.92Å; L44-G48 PolarHBondContact O-N 3.01Å |
| 45 | A | 56.2 | Low | 54 | Low | 72 Ų | 72 | 118.7 Ų | 118.7 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.2 | -36.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | K41 I42 | K41-A45 WeakPolarHBondContact O-CB 3.36Å; K41-A45 PolarHBondContact O-N 3.46Å; I42-A45 PolarHBondContact O-N 3.38Å |
| 46 | C | 53.3 | Low | 53.3 | Low | 94 Ų | 94 | 117.7 Ų | 117.7 | 64% | 0.635 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -81.2 | -24.1 | 178.6 | -68.1 | 0 | 0 | 0 | 0 | 114.2 | I42 A43 L44 | I42-C46 WeakPolarHBondContact O-CB 3.42Å; I42-C46 PolarHBondContact O-N 2.97Å; I42-C46 PolarHBondContact O-SG 3.47Å; A43-C46 PolarHBondContact O-N 2.85Å; L44-C46 VanDerWaalsContact C-N 3.26Å; L44-C46 PolarHBondContact O-N 2.8Å |
| 47 | K | 53.6 | Low | 52.9 | Low | 185 Ų | 185 | 118 Ų | 118 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -100.9 | -6.6 | -178.7 | -73.1 | -168.9 | 174.5 | -174.2 | 0 | 114.9 | A43 L44 | A43-K47 WeakPolarHBondContact O-CB 3.45Å; A43-K47 WeakPolarHBondContact O-CG 3.27Å; A43-K47 PolarHBondContact O-N 3.01Å; L44-K47 PolarHBondContact O-N 2.92Å |
| 48 | G | 46.1 | Very low | 52.5 | Low | 67 Ų | 67 | 119.2 Ų | 119.2 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -93.6 | 4.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L44 | L44-G48 PolarHBondContact O-N 3.01Š|
| 49 | S | 46 | Very low | 52.6 | Low | 88 Ų | 88 | 118.5 Ų | 118.5 | 62% | 0.615 | 69% | 0.691 | S | S | * | * | trans | -118.5 | 52.1 | -179.7 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 50 | F | 45.2 | Very low | 52.7 | Low | 188 Ų | 188 | 121.5 Ų | 121.5 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -78.9 | 117.5 | 146 | -102.5 | -96.4 | 0 | 0 | 0 | 106.5 | ||
| 51 | L | 45.7 | Very low | 53 | Low | 153 Ų | 153 | 119.6 Ų | 119.6 | 80% | 0.801 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 79.8 | 62.1 | 159.4 | -44.9 | 171.5 | 0 | 0 | 0 | 118.4 | ||
| 52 | T | 46.1 | Very low | 53 | Low | 129 Ų | 129 | 120.6 Ų | 120.6 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -142.9 | 115.7 | 138.2 | 43.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 53 | N | 42.3 | Very low | 53.3 | Low | 169 Ų | 169 | 125.6 Ų | 125.6 | 90% | 0.904 | 74% | 0.74 | S | S | * | * | trans | -53.6 | 140.4 | 172.9 | -65.7 | -44.4 | 0 | 0 | 0 | 109.8 | ||||
| 54 | S | 44 | Very low | 53.8 | Low | 121 Ų | 121 | 134.6 Ų | 134.6 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | 90.6 | 57.5 | 171.2 | -149.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 55 | C | 49.3 | Very low | 54.3 | Low | 121 Ų | 121 | 137.1 Ų | 137.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -127.4 | 94.7 | 150.4 | -82 | 0 | 0 | 0 | 0 | 107.8 | G57 | C55-G57 PolarHBondContact O-N 3.39Š| ||
| 56 | A | 46.6 | Very low | 54.9 | Low | 99 Ų | 99 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -57.2 | 95 | 164 | 0 | 0 | 0 | 0 | 0 | 107.6 | V58 | A56-V58 PolarHBondContact O-N 3.4Å; A56-V58 VanDerWaalsContact O-N 3.14Å | ||
| 57 | G | 50.8 | Low | 55.5 | Low | 61 Ų | 61 | 148.8 Ų | 148.8 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | trans | -57.6 | 119 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | C55 L59 | C55-G57 PolarHBondContact O-N 3.39Å; G57-L59 PolarHBondContact O-N 3.21Å | ||
| 58 | V | 57.2 | Low | 56 | Low | 112 Ų | 112 | 151.2 Ų | 151.2 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | trans | -67.2 | 87.9 | 171.6 | -174.6 | 0 | 0 | 0 | 0 | 107.1 | A56 F60 | A56-V58 PolarHBondContact O-N 3.4Å; A56-V58 VanDerWaalsContact O-N 3.14Å; V58-F60 HydrophobicContact CB-CE2 4.26Å; V58-F60 HydrophobicContact CG1-CD1 4.48Å; V58-F60 HydrophobicContact CG1-CD2 4.14Å; V58-F60 HydrophobicContact CG1-CE1 4.06Å; V58-F60 HydrophobicContact CG1-CE2 3.68Å; V58-F60 HydrophobicContact CG1-CZ 3.64Å; V58-F60 PolarHBondContact O-N 3.31Å; V58-F60 VanDerWaalsContact O-N 3.13Å | ||
| 59 | L | 64.3 | Low | 57 | Low | 166 Ų | 166 | 151.7 Ų | 151.7 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -74.2 | 97.8 | 173.3 | -136.5 | 89 | 0 | 0 | 0 | 107.1 | G57 | G57-L59 PolarHBondContact O-N 3.21Š| ||
| 60 | F | 64.9 | Low | 57.9 | Low | 163 Ų | 163 | 155.3 Ų | 155.3 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | trans | -67.7 | 129.6 | 172 | -69.3 | -82.7 | 0 | 0 | 0 | 109.3 | V58 I62 | V58-F60 HydrophobicContact CB-CE2 4.26Å; V58-F60 HydrophobicContact CG1-CD1 4.48Å; V58-F60 HydrophobicContact CG1-CD2 4.14Å; V58-F60 HydrophobicContact CG1-CE1 4.06Å; V58-F60 HydrophobicContact CG1-CE2 3.68Å; V58-F60 HydrophobicContact CG1-CZ 3.64Å; V58-F60 PolarHBondContact O-N 3.31Å; V58-F60 VanDerWaalsContact O-N 3.13Å; F60-I62 PolarHBondContact O-N 3.33Å | ||
| 61 | P | 67 | Low | 58.7 | Low | 121 Ų | 121 | 153.4 Ų | 153.4 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -68.8 | 103.3 | 179.6 | 26.1 | -31.9 | 0 | 0 | 0 | 109.9 | K63 | P61-K63 PolarHBondContact O-N 3.5Š| ||
| 62 | I | 64.6 | Low | 59.5 | Low | 154 Ų | 154 | 151.6 Ų | 151.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -71 | 113 | 167 | -59.6 | 176.1 | 0 | 0 | 0 | 107.1 | F60 R64 | F60-I62 PolarHBondContact O-N 3.33Å; I62-R64 PolarHBondContact O-N 2.95Å | ||
| 63 | K | 67.2 | Low | 60.4 | Low | 199 Ų | 199 | 153.2 Ų | 153.2 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -60.1 | 111.6 | 170 | -70.3 | -176.5 | -179.6 | 178.8 | 0 | 108 | P61 Q65 | P61-K63 PolarHBondContact O-N 3.5Å; K63-Q65 PolarHBondContact O-N 3.04Å | ||
| 64 | R | 65.6 | Low | 61.2 | Low | 237 Ų | 237 | 152.3 Ų | 152.3 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -64.5 | 103.6 | 169.7 | -66.9 | -173.8 | -179.6 | -154 | 0.7 | 107.8 | I62 R66 | I62-R64 PolarHBondContact O-N 2.95Å; R64-R66 PolarHBondContact O-N 3.02Å; R64-R66 VanDerWaalsContact O-N 3.07Å | ||
| 65 | Q | 64.6 | Low | 62 | Low | 180 Ų | 180 | 154.2 Ų | 154.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -61.5 | 111.6 | 166.8 | -175.5 | 173.7 | -8.1 | 0 | 0 | 106.8 | K63 Q67 | K63-Q65 PolarHBondContact O-N 3.04Å; Q65-Q67 PolarHBondContact O-N 3.12Å | ||
| 66 | R | 68.3 | Low | 62.5 | Low | 225 Ų | 225 | 156.1 Ų | 156.1 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | trans | -62.1 | 103 | 173.1 | -77.3 | -173 | 172.4 | -152.8 | -2 | 107.4 | R64 R68 | R64-R66 PolarHBondContact O-N 3.02Å; R64-R66 VanDerWaalsContact O-N 3.07Å; R66-R68 PolarHBondContact O-N 3.33Å; R66-R68 VanDerWaalsContact O-N 3.12Å | ||
| 67 | Q | 67.1 | Low | 62.7 | Low | 186 Ų | 186 | 155 Ų | 155 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -59.2 | 115.7 | 159.2 | -80.2 | -176.5 | -20.8 | 0 | 0 | 106.4 | Q65 S69 | Q65-Q67 PolarHBondContact O-N 3.12Å; Q67-S69 VanDerWaalsContact C-N 3.3Å; Q67-S69 PolarHBondContact O-N 3.36Å | ||
| 68 | R | 63.8 | Low | 62.9 | Low | 236 Ų | 236 | 159.7 Ų | 159.7 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -65.3 | 97.4 | 165.2 | -79.6 | -178.9 | 168.7 | -179.8 | -3.6 | 105.7 | R66 N70 | R66-R68 PolarHBondContact O-N 3.33Å; R66-R68 VanDerWaalsContact O-N 3.12Å; R68-N70 PolarHBondContact O-N 3.48Å | ||
| 69 | S | 66.8 | Low | 62.5 | Low | 77 Ų | 77 | 158.3 Ų | 158.3 | 54% | 0.538 | 80% | 0.798 | S | S | . | * | trans | -65.9 | 128.3 | 160.7 | 54.8 | 0 | 0 | 0 | 0 | 106.9 | Q67 E71 | Q67-S69 VanDerWaalsContact C-N 3.3Å; Q67-S69 PolarHBondContact O-N 3.36Å; S69-E71 PolarHBondContact O-N 3.49Å | ||
| 70 | N | 64.7 | Low | 62.3 | Low | 165 Ų | 165 | 155.5 Ų | 155.5 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -74.3 | 29.2 | 171.8 | -75.2 | -21.5 | 0 | 0 | 0 | 111.5 | R68 | R68-N70 PolarHBondContact O-N 3.48Š| ||
| 71 | E | 61.6 | Low | 61.9 | Low | 148 Ų | 148 | 157.2 Ų | 157.2 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -83.8 | 126.3 | -179.6 | -144 | 174.2 | -163.6 | 0 | 0 | 108.1 | S69 K73 | S69-E71 PolarHBondContact O-N 3.49Å; E71-K73 PolarHBondContact O-N 2.97Å | ||
| 72 | P | 63.7 | Low | 61.3 | Low | 114 Ų | 114 | 156.3 Ų | 156.3 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -61.1 | 108.6 | 176.5 | 24.2 | -31.2 | 0 | 0 | 0 | 108.1 | N74 | P72-N74 PolarHBondContact O-N 3.29Š| ||
| 73 | K | 63.8 | Low | 61 | Low | 164 Ų | 164 | 155.5 Ų | 155.5 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -67.1 | 99.2 | 172 | -67.3 | 179.6 | -176.1 | 176.5 | 0 | 107.2 | E71 L75 | E71-K73 PolarHBondContact O-N 2.97Å; K73-L75 PolarHBondContact O-N 2.75Å | ||
| 74 | N | 60 | Low | 60.5 | Low | 150 Ų | 150 | 155.9 Ų | 155.9 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -59.2 | 92.1 | 157.5 | -94.3 | -31.9 | 0 | 0 | 0 | 107.1 | P72 L76 | P72-N74 PolarHBondContact O-N 3.29Å; N74-L76 PolarHBondContact O-N 3.06Å | ||
| 75 | L | 60.6 | Low | 60.3 | Low | 161 Ų | 161 | 149.7 Ų | 149.7 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -69.9 | 73.1 | 168.7 | -72.7 | 161.1 | 0 | 0 | 0 | 107.2 | K73 A77 | K73-L75 PolarHBondContact O-N 2.75Å; L75-A77 PolarHBondContact O-N 3.35Å | ||
| 76 | L | 58.6 | Low | 60.4 | Low | 161 Ų | 161 | 146.9 Ų | 146.9 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -72.9 | 93.8 | 163 | -74.1 | 173.7 | 0 | 0 | 0 | 106.8 | N74 | N74-L76 PolarHBondContact O-N 3.06Š| ||
| 77 | A | 51.5 | Low | 59.9 | Low | 76 Ų | 76 | 140.1 Ų | 140.1 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | trans | -35.2 | 131 | 157 | 0 | 0 | 0 | 0 | 0 | 110.7 | L75 | L75-A77 PolarHBondContact O-N 3.35Š| ||
| 78 | N | 55.9 | Low | 59.8 | Low | 158 Ų | 158 | 143.1 Ų | 143.1 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 178.2 | 59 | 138.9 | -82.6 | -16.3 | 0 | 0 | 0 | 108 | ||||
| 79 | G | 49.2 | Very low | 59.4 | Low | 84 Ų | 84 | 143.6 Ų | 143.6 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -102.4 | 82.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 80 | S | 58.7 | Low | 59.1 | Low | 107 Ų | 107 | 146.9 Ų | 146.9 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -159.4 | 100.4 | 166.2 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 81 | Y | 56.3 | Low | 58.8 | Low | 198 Ų | 198 | 145.9 Ų | 145.9 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | 159.5 | 117.5 | 105.3 | -163.2 | -127.3 | 0 | 0 | 0 | 109.6 | H83 | Y81-H83 AromaticContact CD1-CD2 3.81Å; Y81-H83 AromaticContact CE1-CD2 3.08Å; Y81-H83 WeakPolarHBondContact CE1-CD2 3.47Å; Y81-H83 AromaticContact CE1-NE2 3.42Å; Y81-H83 WeakPolarHBondContact CE1-NE2 3.22Å; Y81-H83 AromaticContact CZ-CD2 3.48Å; Y81-H83 VanDerWaalsContact CZ-CD2 3.48Å; Y81-H83 AromaticContact CZ-NE2 3.32Å; Y81-H83 VanDerWaalsContact CZ-NE2 3.32Å; Y81-H83 PolarHBondContact OH-NE2 3.21Å | |||
| 82 | S | 54.6 | Low | 58.6 | Low | 103 Ų | 103 | 145.8 Ų | 145.8 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | trans | -88.9 | 120.4 | 174.6 | 164.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 83 | H | 58 | Low | 58.3 | Low | 137 Ų | 137 | 147.7 Ų | 147.7 | 63% | 0.634 | 82% | 0.823 | S | S | * | * | trans | -134 | 106.1 | 149.9 | -93.9 | -66.5 | 0 | 0 | 0 | 108.9 | Y81 | Y81-H83 AromaticContact CD1-CD2 3.81Å; Y81-H83 AromaticContact CE1-CD2 3.08Å; Y81-H83 WeakPolarHBondContact CE1-CD2 3.47Å; Y81-H83 AromaticContact CE1-NE2 3.42Å; Y81-H83 WeakPolarHBondContact CE1-NE2 3.22Å; Y81-H83 AromaticContact CZ-CD2 3.48Å; Y81-H83 VanDerWaalsContact CZ-CD2 3.48Å; Y81-H83 AromaticContact CZ-NE2 3.32Å; Y81-H83 VanDerWaalsContact CZ-NE2 3.32Å; Y81-H83 PolarHBondContact OH-NE2 3.21Å | ||
| 84 | K | 56.9 | Low | 58 | Low | 207 Ų | 207 | 146.7 Ų | 146.7 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | trans | -105.5 | 104.5 | 155.2 | -73.5 | -170.1 | 175.7 | -169.6 | 0 | 106.8 | ||||
| 85 | S | 61.2 | Low | 57.9 | Low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | -131.5 | 89 | 155.2 | 68.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 86 | S | 67.3 | Low | 57.7 | Low | 121 Ų | 121 | 145.4 Ų | 145.4 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -98.8 | 89.1 | 161.6 | 70.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 87 | G | 57.7 | Low | 57.6 | Low | 82 Ų | 82 | 144.2 Ų | 144.2 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -86 | 113.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 88 | R | 64.2 | Low | 58.1 | Low | 249 Ų | 249 | 149.9 Ų | 149.9 | 94% | 0.94 | 85% | 0.846 | S | S | * | * | trans | -119.7 | 101.4 | 168.9 | -158.9 | 176.6 | -177.4 | 166.4 | 0.6 | 105.9 | ||||
| 89 | L | 57.3 | Low | 58.3 | Low | 246 Ų | 246 | 149.2 Ų | 149.2 | 100% | 1.288 | 85% | 0.847 | S | S | * | * | trans | -90.9 | 0 | 153.7 | -78.7 | 170.3 | 0 | 0 | 0 | 107.5 |
Retrieved 89 of 89 residues in 60.8 ms
(Link to these results)