| 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 | 73.2 | Confident | 82.9 | Confident | 233 Ų | 233 | 116 Ų | 116 | 100% | 1.148 | 60% | 0.595 | S | S | * | * | 0 | 128.4 | 0 | -68.6 | 168.4 | 124.9 | 0 | 0 | 109.2 | T3 | M1-T3 PolarHBondContact O-N 2.66Š| |||
| 2 | A | 74.4 | Confident | 82.7 | Confident | 63 Ų | 63 | 120.3 Ų | 120.3 | 52% | 0.521 | 60% | 0.598 | S | S | . | * | trans | -63.5 | 134.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 3 | T | 87.8 | Confident | 82.3 | Confident | 70 Ų | 70 | 121.1 Ų | 121.1 | 43% | 0.429 | 60% | 0.599 | S | S | . | * | trans | -67 | 154.8 | -177.5 | 79 | 0 | 0 | 0 | 0 | 111.5 | M1 M5 H6 R7 | M1-T3 PolarHBondContact O-N 2.66Å; T3-M5 PolarHBondContact O-N 3.48Å; T3-M5 VanDerWaalsContact O-N 3.14Å; T3-H6 PolarHBondContact O-N 3.3Å; T3-H6 PolarHBondContact OG1-ND1 3.35Å; T3-R7 PolarHBondContact O-N 2.87Å | ||
| 4 | P | 84.7 | Confident | 81.6 | Confident | 101 Ų | 101 | 116.2 Ų | 116.2 | 66% | 0.656 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -54.8 | -34.2 | -178 | -26.8 | 34.9 | 0 | 0 | 0 | 114 | R7 I8 | P4-R7 PolarHBondContact O-N 3.45Å; P4-I8 WeakPolarHBondContact O-CG1 3.43Å; P4-I8 PolarHBondContact O-N 3.31Å |
| 5 | M | 88.3 | Confident | 81.1 | Confident | 126 Ų | 126 | 115.6 Ų | 115.6 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.7 | -42.2 | 176.6 | -76.3 | -66.4 | -75.6 | 0 | 0 | 112.7 | T3 R7 I8 I9 | T3-M5 PolarHBondContact O-N 3.48Å; T3-M5 VanDerWaalsContact O-N 3.14Å; M5-R7 VanDerWaalsContact C-N 3.26Å; M5-R7 PolarHBondContact O-N 3.4Å; M5-I8 PolarHBondContact O-N 3.39Å; M5-I9 WeakPolarHBondContact O-CG1 3.21Å; M5-I9 PolarHBondContact O-N 3.21Å |
| 6 | H | 85.1 | Confident | 80.3 | Confident | 121 Ų | 121 | 112.1 Ų | 112.1 | 56% | 0.56 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.9 | -34.4 | 177.5 | -69.9 | 98.2 | 0 | 0 | 0 | 112 | T3 I9 A10 | T3-H6 PolarHBondContact O-N 3.3Å; T3-H6 PolarHBondContact OG1-ND1 3.35Å; H6-I9 PolarHBondContact O-N 2.72Å; H6-A10 WeakPolarHBondContact O-CB 3.32Å; H6-A10 PolarHBondContact O-N 2.82Å |
| 7 | R | 85.2 | Confident | 79.9 | Confident | 159 Ų | 159 | 111.1 Ų | 111.1 | 60% | 0.6 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 175.5 | -66.5 | -178.8 | -177.9 | 167.7 | -0.6 | 112.5 | T3 P4 M5 R11 | T3-R7 PolarHBondContact O-N 2.87Å; P4-R7 PolarHBondContact O-N 3.45Å; M5-R7 VanDerWaalsContact C-N 3.26Å; M5-R7 PolarHBondContact O-N 3.4Å; R7-R11 WeakPolarHBondContact O-CB 3.29Å; R7-R11 PolarHBondContact O-N 3.16Å |
| 8 | I | 85 | Confident | 79.7 | Confident | 82 Ų | 82 | 108.2 Ų | 108.2 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -43.4 | 177.8 | -64.6 | 166.3 | 0 | 0 | 0 | 110.5 | P4 M5 R11 R12 | P4-I8 WeakPolarHBondContact O-CG1 3.43Å; P4-I8 PolarHBondContact O-N 3.31Å; M5-I8 PolarHBondContact O-N 3.39Å; I8-R11 PolarHBondContact O-N 3.01Å; I8-R12 WeakPolarHBondContact O-CG 3.43Å; I8-R12 PolarHBondContact O-N 3.45Å |
| 9 | I | 85 | Confident | 79.6 | Confident | 78 Ų | 78 | 109.9 Ų | 109.9 | 40% | 0.4 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -47.3 | 177.5 | -65.1 | 164.9 | 0 | 0 | 0 | 110 | M5 H6 R11 R12 Q13 | M5-I9 WeakPolarHBondContact O-CG1 3.21Å; M5-I9 PolarHBondContact O-N 3.21Å; H6-I9 PolarHBondContact O-N 2.72Å; I9-R11 VanDerWaalsContact C-N 3.34Å; I9-R11 PolarHBondContact O-N 3.29Å; I9-R12 PolarHBondContact O-N 2.97Å; I9-Q13 WeakPolarHBondContact O-CB 3.46Å; I9-Q13 PolarHBondContact O-N 3.49Å; I9-Q13 PolarHBondContact O-OE1 3.06Å |
| 10 | A | 82.4 | Confident | 79.9 | Confident | 61 Ų | 61 | 112.2 Ų | 112.2 | 50% | 0.504 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H6 Q13 A14 | H6-A10 WeakPolarHBondContact O-CB 3.32Å; H6-A10 PolarHBondContact O-N 2.82Å; A10-Q13 PolarHBondContact O-N 3.4Å; A10-A14 WeakPolarHBondContact O-CB 3.33Å; A10-A14 PolarHBondContact O-N 3.49Å |
| 11 | R | 81.3 | Confident | 80.4 | Confident | 182 Ų | 182 | 107.9 Ų | 107.9 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.5 | -45.2 | 175.5 | -171.5 | -177.5 | -80.9 | -179.7 | -6.5 | 111.5 | R7 I8 I9 Q13 A14 E15 | R7-R11 WeakPolarHBondContact O-CB 3.29Å; R7-R11 PolarHBondContact O-N 3.16Å; I8-R11 PolarHBondContact O-N 3.01Å; I9-R11 VanDerWaalsContact C-N 3.34Å; I9-R11 PolarHBondContact O-N 3.29Å; R11-Q13 VanDerWaalsContact C-N 3.34Å; R11-Q13 PolarHBondContact O-N 3.25Å; R11-A14 PolarHBondContact O-N 2.89Å; R11-E15 WeakPolarHBondContact CG-OE1 3.33Å; R11-E15 WeakPolarHBondContact O-CB 2.97Å; R11-E15 WeakPolarHBondContact O-CG 3.5Å; R11-E15 PolarHBondContact O-N 2.98Å |
| 12 | R | 80.2 | Confident | 81.3 | Confident | 168 Ų | 168 | 104.2 Ų | 104.2 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -39.1 | 174.4 | -75 | -178.8 | -173.5 | 162.4 | 2.2 | 112.4 | I8 I9 E15 A16 | I8-R12 WeakPolarHBondContact O-CG 3.43Å; I8-R12 PolarHBondContact O-N 3.45Å; I9-R12 PolarHBondContact O-N 2.97Å; R12-E15 PolarHBondContact O-N 3Å; R12-A16 VanDerWaalsContact O-CB 3.22Å; R12-A16 WeakPolarHBondContact O-CB 3.42Å; R12-A16 PolarHBondContact O-N 2.68Å |
| 13 | Q | 76.8 | Confident | 82.2 | Confident | 130 Ų | 130 | 101.2 Ų | 101.2 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 175.9 | -130.9 | 91.4 | 16.6 | 0 | 0 | 110.9 | I9 A10 R11 A16 N17 | I9-Q13 WeakPolarHBondContact O-CB 3.46Å; I9-Q13 PolarHBondContact O-N 3.49Å; I9-Q13 PolarHBondContact O-OE1 3.06Å; A10-Q13 PolarHBondContact O-N 3.4Å; R11-Q13 VanDerWaalsContact C-N 3.34Å; R11-Q13 PolarHBondContact O-N 3.25Å; Q13-A16 PolarHBondContact O-N 3.04Å; Q13-N17 WeakPolarHBondContact O-CB 3.42Å; Q13-N17 PolarHBondContact O-N 3.33Å |
| 14 | A | 72.8 | Confident | 82.4 | Confident | 53 Ų | 53 | 106 Ų | 106 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A10 R11 N17 K18 | A10-A14 WeakPolarHBondContact O-CB 3.33Å; A10-A14 PolarHBondContact O-N 3.49Å; R11-A14 PolarHBondContact O-N 2.89Å; A14-N17 PolarHBondContact O-N 2.97Å; A14-K18 WeakPolarHBondContact O-CG 3.39Å; A14-K18 PolarHBondContact O-N 3.21Å; A14-K18 VanDerWaalsContact O-N 3.12Å |
| 15 | E | 75 | Confident | 82.9 | Confident | 107 Ų | 107 | 104.6 Ų | 104.6 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 174.8 | -74.5 | 167.9 | -174.7 | 0 | 0 | 112.1 | R11 R12 N17 K18 Q19 | R11-E15 WeakPolarHBondContact CG-OE1 3.33Å; R11-E15 WeakPolarHBondContact O-CB 2.97Å; R11-E15 WeakPolarHBondContact O-CG 3.5Å; R11-E15 PolarHBondContact O-N 2.98Å; R12-E15 PolarHBondContact O-N 3Å; E15-N17 VanDerWaalsContact C-N 3.31Å; E15-N17 PolarHBondContact O-N 2.94Å; E15-K18 WeakPolarHBondContact O-CB 3.34Å; E15-K18 PolarHBondContact O-N 3.13Å; E15-Q19 PolarHBondContact O-N 3.28Å |
| 16 | A | 68.2 | Low | 83.1 | Confident | 60 Ų | 60 | 99.1 Ų | 99.1 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -36 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R12 Q13 K18 Q19 | R12-A16 VanDerWaalsContact O-CB 3.22Å; R12-A16 WeakPolarHBondContact O-CB 3.42Å; R12-A16 PolarHBondContact O-N 2.68Å; Q13-A16 PolarHBondContact O-N 3.04Å; A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 3.14Å; A16-Q19 WeakPolarHBondContact O-CB 3.38Å; A16-Q19 PolarHBondContact O-N 3.07Å; A16-Q19 VanDerWaalsContact O-N 3.16Å |
| 17 | N | 72.2 | Confident | 83.4 | Confident | 95 Ų | 95 | 96.2 Ų | 96.2 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 175.2 | -149.4 | -86.7 | 0 | 0 | 0 | 111.4 | Q13 A14 E15 Q19 H20 V21 | Q13-N17 WeakPolarHBondContact O-CB 3.42Å; Q13-N17 PolarHBondContact O-N 3.33Å; A14-N17 PolarHBondContact O-N 2.97Å; E15-N17 VanDerWaalsContact C-N 3.31Å; E15-N17 PolarHBondContact O-N 2.94Å; N17-Q19 VanDerWaalsContact C-N 3.29Å; N17-Q19 PolarHBondContact O-N 3.26Å; N17-H20 PolarHBondContact O-N 3.47Å; N17-V21 PolarHBondContact O-N 3.09Å; N17-V21 VanDerWaalsContact O-N 3.12Å |
| 18 | K | 76.6 | Confident | 83.7 | Confident | 59 Ų | 59 | 94.4 Ų | 94.4 | 26% | 0.257 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.4 | -35 | 173.3 | -72.7 | 176 | 176.2 | -120.4 | 0 | 112.3 | A14 E15 A16 H20 V21 G30 E35 | A14-K18 WeakPolarHBondContact O-CG 3.39Å; A14-K18 PolarHBondContact O-N 3.21Å; A14-K18 VanDerWaalsContact O-N 3.12Å; E15-K18 WeakPolarHBondContact O-CB 3.34Å; E15-K18 PolarHBondContact O-N 3.13Å; A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 3.14Å; K18-H20 VanDerWaalsContact C-N 3.25Å; K18-H20 PolarHBondContact O-N 3.37Å; K18-V21 WeakPolarHBondContact O-CG1 3.07Å; K18-V21 PolarHBondContact O-N 3.04Å; K18-G30 CarbonylContact O-C 3.13Å; K18-G30 WeakPolarHBondContact O-CA 2.94Å; K18-G30 PolarHBondContact O-N 3.34Å; K18-E35 IonicContact NZ-OE1 2.76Å; K18-E35 PolarHBondContact NZ-OE1 3.16Å; K18-E35 IonicContact NZ-OE2 2.81Å; K18-E35 PolarHBondContact NZ-OE2 2.81Å |
| 19 | Q | 78.9 | Confident | 84 | Confident | 140 Ų | 140 | 94.5 Ų | 94.5 | 65% | 0.654 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | 177.2 | -60.4 | -61.5 | -43.3 | 0 | 0 | 113.1 | E15 A16 N17 | E15-Q19 PolarHBondContact O-N 3.28Å; A16-Q19 WeakPolarHBondContact O-CB 3.38Å; A16-Q19 PolarHBondContact O-N 3.07Å; A16-Q19 VanDerWaalsContact O-N 3.16Å; N17-Q19 VanDerWaalsContact C-N 3.29Å; N17-Q19 PolarHBondContact O-N 3.26Å |
| 20 | H | 84.3 | Confident | 84.4 | Confident | 156 Ų | 156 | 91.9 Ų | 91.9 | 72% | 0.722 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -96.3 | -9 | 179.8 | -169.6 | 79.1 | 0 | 0 | 0 | 113.8 | N17 K18 R22 M29 | N17-H20 PolarHBondContact O-N 3.47Å; K18-H20 VanDerWaalsContact C-N 3.25Å; K18-H20 PolarHBondContact O-N 3.37Å; H20-R22 PolarHBondContact O-N 3.4Å; H20-M29 WeakPolarHBondContact O-CE 3.4Å |
| 21 | V | 91 | Very high | 84.9 | Confident | 22 Ų | 22 | 90.6 Ų | 90.6 | 13% | 0.133 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 129.9 | 176.5 | 76.9 | 0 | 0 | 0 | 0 | 110.5 | N17 K18 M29 G30 H31 W32 | N17-V21 PolarHBondContact O-N 3.09Å; N17-V21 VanDerWaalsContact O-N 3.12Å; K18-V21 WeakPolarHBondContact O-CG1 3.07Å; K18-V21 PolarHBondContact O-N 3.04Å; V21-M29 CarbonylContact O-C 3.56Å; V21-M29 VanDerWaalsContact O-CA 3.31Å; V21-M29 WeakPolarHBondContact O-CA 3.31Å; V21-G30 PolarHBondContact O-N 2.85Å; V21-H31 VanDerWaalsContact CG1-C 3.44Å; V21-H31 WeakPolarHBondContact CG1-O 2.96Å; V21-W32 HydrophobicContact CB-CD2 4.5Å; V21-W32 HydrophobicContact CB-CH2 4.4Å; V21-W32 HydrophobicContact CB-CZ2 4.32Å; V21-W32 HydrophobicContact CG1-CD2 4.21Å; V21-W32 HydrophobicContact CG1-CG 4.38Å; V21-W32 HydrophobicContact CG2-CD2 3.99Å; V21-W32 HydrophobicContact CG2-CE3 3.66Å; V21-W32 HydrophobicContact CG2-CH2 3.88Å; V21-W32 HydrophobicContact CG2-CZ2 4.2Å; V21-W32 HydrophobicContact CG2-CZ3 3.6Å |
| 22 | R | 92.9 | Very high | 85.4 | Confident | 155 Ų | 155 | 86.5 Ų | 86.5 | 59% | 0.585 | 42% | 0.418 | S | S | * | . | B | Isolated β-bridge | trans | -96 | 123.1 | 173.3 | -161.1 | 173.3 | -167.4 | 106 | 7.2 | 110.1 | H20 Q24 L27 M29 | H20-R22 PolarHBondContact O-N 3.4Å; R22-Q24 PolarHBondContact O-N 2.83Å; R22-L27 PolarHBondContact NE-O 3.34Å; R22-L27 PolarHBondContact NH2-O 3.35Å; R22-M29 HydrophobicContact CB-CE 4.12Å; R22-M29 HydrophobicContact CB-SD 3.49Å; R22-M29 WeakPolarHBondContact CB-SD 3.25Å; R22-M29 HydrophobicContact CG-SD 3.48Å; R22-M29 WeakPolarHBondContact CG-SD 3.49Å |
| 23 | C | 93.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.007 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 123.7 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | K25 C26 L27 E28 H31 C36 | C23-K25 PolarHBondContact O-N 2.89Å; C23-K25 VanDerWaalsContact SG-CB 3.59Å; C23-K25 PolarHBondContact SG-N 3.23Å; C23-K25 VanDerWaalsContact SG-N 3.37Å; C23-C26 VanDerWaalsContact SG-SG 3.66Å; C23-L27 WeakPolarHBondContact O-CA 3.41Å; C23-L27 PolarHBondContact O-N 3.48Å; C23-E28 PolarHBondContact N-O 3.37Å; C23-H31 VanDerWaalsContact CB-NE2 3.25Å; C23-H31 WeakPolarHBondContact CB-NE2 3.48Å; C23-H31 PolarHBondContact SG-NE2 2.76Å; C23-C36 VanDerWaalsContact SG-CB 3.57Å |
| 24 | Q | 92.3 | Very high | 86.7 | Confident | 171 Ų | 171 | 83.1 Ų | 83.1 | 80% | 0.799 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17.7 | 176.8 | -162.1 | 173.3 | 39.1 | 0 | 0 | 113.5 | R22 T33 | R22-Q24 PolarHBondContact O-N 2.83Å; Q24-T33 HydrophobicContact CB-CG2 3.66Å; Q24-T33 VanDerWaalsContact N-CG2 3.31Å |
| 25 | K | 94.5 | Very high | 87.7 | Confident | 71 Ų | 71 | 84.5 Ų | 84.5 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -53.6 | -172.6 | -144.7 | 166.9 | 170.6 | -158 | 0 | 111.5 | C23 C36 R40 K41 | C23-K25 PolarHBondContact O-N 2.89Å; C23-K25 VanDerWaalsContact SG-CB 3.59Å; C23-K25 PolarHBondContact SG-N 3.23Å; C23-K25 VanDerWaalsContact SG-N 3.37Å; K25-C36 HydrophobicContact CB-CB 4.39Å; K25-C36 HydrophobicContact CD-CB 4.27Å; K25-R40 HydrophobicContact CG-CG 3.61Å; K25-R40 WeakPolarHBondContact O-CA 3.38Å; K25-K41 PolarHBondContact O-N 3Å; K25-K41 VanDerWaalsContact O-N 3.09Å |
| 26 | C | 92.6 | Very high | 88.6 | Confident | 10 Ų | 10 | 80 Ų | 80 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -8.4 | 177.9 | 63.5 | 0 | 0 | 0 | 0 | 114.1 | C23 E28 H31 | C23-C26 VanDerWaalsContact SG-SG 3.66Å; C26-E28 HydrophobicContact CB-CG 4.46Å; C26-E28 PolarHBondContact O-N 3.27Å; C26-H31 PolarHBondContact SG-CE1 3.04Å; C26-H31 PolarHBondContact SG-NE2 3.13Å |
| 27 | L | 91.3 | Very high | 89.9 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 31% | 0.314 | 41% | 0.405 | S | S | . | . | trans | 64.6 | 16.4 | -176.5 | -61.9 | 162.6 | 0 | 0 | 0 | 114.8 | R22 C23 L43 | R22-L27 PolarHBondContact NE-O 3.34Å; R22-L27 PolarHBondContact NH2-O 3.35Å; C23-L27 WeakPolarHBondContact O-CA 3.41Å; C23-L27 PolarHBondContact O-N 3.48Å; L27-L43 HydrophobicContact CD1-CB 4.47Å | ||
| 28 | E | 91.1 | Very high | 90.8 | Very high | 122 Ų | 122 | 81.2 Ų | 81.2 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | trans | -90.9 | 158.1 | 174.3 | -64 | 171 | 172.6 | 0 | 0 | 111.5 | C23 C26 | C23-E28 PolarHBondContact N-O 3.37Å; C26-E28 HydrophobicContact CB-CG 4.46Å; C26-E28 PolarHBondContact O-N 3.27Å | ||
| 29 | M | 91.4 | Very high | 91.5 | Very high | 83 Ų | 83 | 87.7 Ų | 87.7 | 41% | 0.409 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -88.7 | 155.6 | 174.4 | -52.8 | -60.3 | -63.5 | 0 | 0 | 109.8 | H20 V21 R22 | H20-M29 WeakPolarHBondContact O-CE 3.4Å; V21-M29 CarbonylContact O-C 3.56Å; V21-M29 VanDerWaalsContact O-CA 3.31Å; V21-M29 WeakPolarHBondContact O-CA 3.31Å; R22-M29 HydrophobicContact CB-CE 4.12Å; R22-M29 HydrophobicContact CB-SD 3.49Å; R22-M29 WeakPolarHBondContact CB-SD 3.25Å; R22-M29 HydrophobicContact CG-SD 3.48Å; R22-M29 WeakPolarHBondContact CG-SD 3.49Å |
| 30 | G | 92.5 | Very high | 92.1 | Very high | 24 Ų | 24 | 89.1 Ų | 89.1 | 25% | 0.247 | 43% | 0.425 | C | S | . | . | S | Bend | trans | 115.6 | -11.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K18 V21 | K18-G30 CarbonylContact O-C 3.13Å; K18-G30 WeakPolarHBondContact O-CA 2.94Å; K18-G30 PolarHBondContact O-N 3.34Å; V21-G30 PolarHBondContact O-N 2.85Å |
| 31 | H | 92.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 88.1 Ų | 88.1 | 16% | 0.157 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -153.4 | 151.9 | -175.4 | 64.1 | -85.4 | 0 | 0 | 0 | 113.5 | V21 C23 C26 C36 | V21-H31 VanDerWaalsContact CG1-C 3.44Å; V21-H31 WeakPolarHBondContact CG1-O 2.96Å; C23-H31 VanDerWaalsContact CB-NE2 3.25Å; C23-H31 WeakPolarHBondContact CB-NE2 3.48Å; C23-H31 PolarHBondContact SG-NE2 2.76Å; C26-H31 PolarHBondContact SG-CE1 3.04Å; C26-H31 PolarHBondContact SG-NE2 3.13Å; H31-C36 WeakPolarHBondContact NE2-CB 3.49Å; H31-C36 PolarHBondContact NE2-SG 3.08Å |
| 32 | W | 92.1 | Very high | 92.5 | Very high | 96 Ų | 96 | 97 Ų | 97 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | trans | -77.3 | 154.2 | 174.1 | -62.5 | 95.7 | 0 | 0 | 0 | 110.9 | V21 Y34 E35 C36 | V21-W32 HydrophobicContact CB-CD2 4.5Å; V21-W32 HydrophobicContact CB-CH2 4.4Å; V21-W32 HydrophobicContact CB-CZ2 4.32Å; V21-W32 HydrophobicContact CG1-CD2 4.21Å; V21-W32 HydrophobicContact CG1-CG 4.38Å; V21-W32 HydrophobicContact CG2-CD2 3.99Å; V21-W32 HydrophobicContact CG2-CE3 3.66Å; V21-W32 HydrophobicContact CG2-CH2 3.88Å; V21-W32 HydrophobicContact CG2-CZ2 4.2Å; V21-W32 HydrophobicContact CG2-CZ3 3.6Å; W32-Y34 HydrophobicContact CB-CD1 3.46Å; W32-Y34 VanDerWaalsContact CB-CD1 3.46Å; W32-Y34 HydrophobicContact CB-CE1 3.09Å; W32-Y34 HydrophobicContact CB-CE2 4.47Å; W32-Y34 HydrophobicContact CB-CG 4.28Å; W32-Y34 AromaticContact CD1-CE1 3.97Å; W32-Y34 AromaticContact CD1-CZ 3.92Å; W32-Y34 HydrophobicContact CD2-CE1 4.27Å; W32-Y34 HydrophobicContact CG-CD1 4.3Å; W32-Y34 AromaticContact CG-CE1 3.48Å; W32-Y34 HydrophobicContact CG-CE1 3.48Å; W32-Y34 VanDerWaalsContact CG-CE1 3.48Å; W32-Y34 AromaticContact CG-CZ 3.89Å; W32-Y34 PolarHBondContact O-N 3.21Å; W32-Y34 VanDerWaalsContact O-N 3.08Å; W32-E35 PolarHBondContact O-N 3.39Å; W32-C36 PolarHBondContact O-N 3Å | ||
| 33 | T | 92.4 | Very high | 92.3 | Very high | 63 Ų | 63 | 95.8 Ų | 95.8 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.8 | -177.1 | 49.2 | 0 | 0 | 0 | 0 | 114 | Q24 C36 | Q24-T33 HydrophobicContact CB-CG2 3.66Å; Q24-T33 VanDerWaalsContact N-CG2 3.31Å; T33-C36 WeakPolarHBondContact O-CB 3.5Å |
| 34 | Y | 93.6 | Very high | 92.4 | Very high | 163 Ų | 163 | 103.7 Ų | 103.7 | 64% | 0.639 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -26.7 | 176.7 | 64.5 | -96.9 | 0 | 0 | 0 | 113.6 | W32 C36 | W32-Y34 HydrophobicContact CB-CD1 3.46Å; W32-Y34 VanDerWaalsContact CB-CD1 3.46Å; W32-Y34 HydrophobicContact CB-CE1 3.09Å; W32-Y34 HydrophobicContact CB-CE2 4.47Å; W32-Y34 HydrophobicContact CB-CG 4.28Å; W32-Y34 AromaticContact CD1-CE1 3.97Å; W32-Y34 AromaticContact CD1-CZ 3.92Å; W32-Y34 HydrophobicContact CD2-CE1 4.27Å; W32-Y34 HydrophobicContact CG-CD1 4.3Å; W32-Y34 AromaticContact CG-CE1 3.48Å; W32-Y34 HydrophobicContact CG-CE1 3.48Å; W32-Y34 VanDerWaalsContact CG-CE1 3.48Å; W32-Y34 AromaticContact CG-CZ 3.89Å; W32-Y34 PolarHBondContact O-N 3.21Å; W32-Y34 VanDerWaalsContact O-N 3.08Å; Y34-C36 VanDerWaalsContact C-N 3.35Å |
| 35 | E | 93.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 105.2 Ų | 105.2 | 38% | 0.383 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -6.8 | 176.6 | -52.3 | -179.3 | 154.7 | 0 | 0 | 111.6 | K18 W32 T37 | K18-E35 IonicContact NZ-OE1 2.76Å; K18-E35 PolarHBondContact NZ-OE1 3.16Å; K18-E35 IonicContact NZ-OE2 2.81Å; K18-E35 PolarHBondContact NZ-OE2 2.81Å; W32-E35 PolarHBondContact O-N 3.39Å; E35-T37 PolarHBondContact O-N 3.39Å; E35-T37 VanDerWaalsContact O-N 3.13Å |
| 36 | C | 94.1 | Very high | 92.3 | Very high | 12 Ų | 12 | 104.3 Ų | 104.3 | 8% | 0.081 | 49% | 0.491 | C | S | . | . | trans | -71.9 | 107.2 | -173.3 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | C23 K25 H31 W32 T33 Y34 | C23-C36 VanDerWaalsContact SG-CB 3.57Å; K25-C36 HydrophobicContact CB-CB 4.39Å; K25-C36 HydrophobicContact CD-CB 4.27Å; H31-C36 WeakPolarHBondContact NE2-CB 3.49Å; H31-C36 PolarHBondContact NE2-SG 3.08Å; W32-C36 PolarHBondContact O-N 3Å; T33-C36 WeakPolarHBondContact O-CB 3.5Å; Y34-C36 VanDerWaalsContact C-N 3.35Å | ||
| 37 | T | 94.3 | Very high | 92.3 | Very high | 148 Ų | 148 | 106.6 Ų | 106.6 | 91% | 0.908 | 51% | 0.507 | S | S | * | . | trans | -84 | -12.8 | 171.5 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | E35 | E35-T37 PolarHBondContact O-N 3.39Å; E35-T37 VanDerWaalsContact O-N 3.13Å | ||
| 38 | G | 91.2 | Very high | 92.4 | Very high | 33 Ų | 33 | 113.3 Ų | 113.3 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -67.1 | 151.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 39 | K | 91 | Very high | 92.6 | Very high | 196 Ų | 196 | 112.3 Ų | 112.3 | 85% | 0.852 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 152.2 | 170.6 | -64.2 | 176.8 | -176.9 | 178 | 0 | 110 | K41 | K39-K41 PolarHBondContact O-N 3.25Š|
| 40 | R | 92 | Very high | 92.7 | Very high | 170 Ų | 170 | 112.3 Ų | 112.3 | 64% | 0.642 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 124 | 176.8 | -77.1 | -175.6 | 177.3 | 99.6 | -2.9 | 110.2 | K25 Y42 | K25-R40 HydrophobicContact CG-CG 3.61Å; K25-R40 WeakPolarHBondContact O-CA 3.38Å; R40-Y42 PolarHBondContact O-N 2.81Å |
| 41 | K | 92.3 | Very high | 92.8 | Very high | 134 Ų | 134 | 114.4 Ų | 114.4 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | trans | -84.9 | 112.2 | 175.1 | -174.5 | 173.6 | -177.7 | 173.9 | 0 | 108.7 | K25 K39 L43 | K25-K41 PolarHBondContact O-N 3Å; K25-K41 VanDerWaalsContact O-N 3.09Å; K39-K41 PolarHBondContact O-N 3.25Å; K41-L43 PolarHBondContact O-N 2.82Å | ||
| 42 | Y | 90.9 | Very high | 92.9 | Very high | 210 Ų | 210 | 117.8 Ų | 117.8 | 82% | 0.824 | 56% | 0.556 | S | S | * | * | trans | -78.7 | 113.8 | 170.6 | -71.9 | -80.8 | 0 | 0 | 0 | 109.3 | R40 | R40-Y42 PolarHBondContact O-N 2.81Š| ||
| 43 | L | 90.4 | Very high | 92.9 | Very high | 128 Ų | 128 | 119.6 Ų | 119.6 | 67% | 0.67 | 57% | 0.566 | S | S | * | * | trans | -91.6 | 117.2 | 167.7 | -160.5 | 102.3 | 0 | 0 | 0 | 107.8 | L27 K41 R45 | L27-L43 HydrophobicContact CD1-CB 4.47Å; K41-L43 PolarHBondContact O-N 2.82Å; L43-R45 PolarHBondContact O-N 3.34Å | ||
| 44 | H | 93.4 | Very high | 92.9 | Very high | 168 Ų | 168 | 123.8 Ų | 123.8 | 78% | 0.778 | 58% | 0.579 | S | S | * | * | trans | -67.2 | 122.5 | 174.1 | 177.2 | -87.1 | 0 | 0 | 0 | 109.6 | ||||
| 45 | R | 90.8 | Very high | 92.8 | Very high | 202 Ų | 202 | 122.3 Ų | 122.3 | 76% | 0.762 | 58% | 0.576 | S | S | * | * | trans | -108.5 | 122.1 | 174.5 | -165.1 | 167 | -177.2 | -142.6 | -0 | 108.8 | L43 | L43-R45 PolarHBondContact O-N 3.34Š| ||
| 46 | P | 94 | Very high | 92.7 | Very high | 53 Ų | 53 | 123.1 Ų | 123.1 | 34% | 0.344 | 58% | 0.582 | S | S | . | * | trans | -61.6 | 150.2 | 176.6 | 27.1 | -33.4 | 0 | 0 | 0 | 110 | V50 E51 | P46-V50 HydrophobicContact CB-CB 4.3Å; P46-V50 HydrophobicContact CB-CG1 4Å; P46-E51 HydrophobicContact CB-CG 4.21Å; P46-E51 HydrophobicContact CG-CG 3.79Å | ||
| 47 | S | 94.2 | Very high | 92.4 | Very high | 57 Ų | 57 | 127.6 Ų | 127.6 | 40% | 0.399 | 60% | 0.601 | S | S | . | * | trans | -65.3 | 152.4 | 173.5 | 70 | 0 | 0 | 0 | 0 | 110.1 | T49 V50 E51 | S47-T49 PolarHBondContact O-N 3.49Å; S47-T49 VanDerWaalsContact O-N 3.13Å; S47-T49 PolarHBondContact OG-OG1 3.12Å; S47-V50 WeakPolarHBondContact O-CB 3.4Å; S47-V50 PolarHBondContact O-N 3.05Å; S47-V50 WeakPolarHBondContact OG-CG2 3.49Å; S47-V50 PolarHBondContact OG-N 3.16Å; S47-E51 PolarHBondContact O-N 3.45Å | ||
| 48 | R | 93.7 | Very high | 92.1 | Very high | 202 Ų | 202 | 125.2 Ų | 125.2 | 76% | 0.762 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -54.6 | -33.9 | 176.5 | -174.5 | 177.7 | 175.6 | 149.1 | -1.2 | 112.3 | E51 M52 | R48-E51 PolarHBondContact O-N 3.47Å; R48-M52 WeakPolarHBondContact O-CB 3.47Å; R48-M52 PolarHBondContact O-N 2.84Å |
| 49 | T | 94.2 | Very high | 91.5 | Very high | 101 Ų | 101 | 128.5 Ų | 128.5 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.3 | -38.3 | 176.7 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | S47 E51 M52 K53 | S47-T49 PolarHBondContact O-N 3.49Å; S47-T49 VanDerWaalsContact O-N 3.13Å; S47-T49 PolarHBondContact OG-OG1 3.12Å; T49-E51 VanDerWaalsContact C-N 3.34Å; T49-M52 PolarHBondContact O-N 3.24Å; T49-K53 WeakPolarHBondContact O-CB 3.44Å; T49-K53 PolarHBondContact O-N 3.18Å |
| 50 | V | 93.6 | Very high | 90.9 | Very high | 82 Ų | 82 | 126.1 Ų | 126.1 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -41 | 173.1 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | P46 S47 K53 K54 | P46-V50 HydrophobicContact CB-CB 4.3Å; P46-V50 HydrophobicContact CB-CG1 4Å; S47-V50 WeakPolarHBondContact O-CB 3.4Å; S47-V50 PolarHBondContact O-N 3.05Å; S47-V50 WeakPolarHBondContact OG-CG2 3.49Å; S47-V50 PolarHBondContact OG-N 3.16Å; V50-K53 PolarHBondContact O-N 3.32Å; V50-K54 PolarHBondContact O-N 3.38Å |
| 51 | E | 94.5 | Very high | 89.7 | Confident | 69 Ų | 69 | 124 Ų | 124 | 32% | 0.322 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.9 | -46.6 | 174.1 | -66.9 | -178.1 | 173.3 | 0 | 0 | 111.9 | P46 S47 R48 T49 K53 K54 K55 | P46-E51 HydrophobicContact CB-CG 4.21Å; P46-E51 HydrophobicContact CG-CG 3.79Å; S47-E51 PolarHBondContact O-N 3.45Å; R48-E51 PolarHBondContact O-N 3.47Å; T49-E51 VanDerWaalsContact C-N 3.34Å; E51-K53 PolarHBondContact O-N 3.3Å; E51-K54 PolarHBondContact O-N 2.93Å; E51-K55 WeakPolarHBondContact O-CG 3.34Å; E51-K55 PolarHBondContact O-N 3.46Å |
| 52 | M | 94.4 | Very high | 88.3 | Confident | 105 Ų | 105 | 123.2 Ų | 123.2 | 52% | 0.517 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.4 | -44.5 | 177.7 | -172.8 | -172.4 | -68.2 | 0 | 0 | 111.4 | R48 T49 K54 K55 L56 | R48-M52 WeakPolarHBondContact O-CB 3.47Å; R48-M52 PolarHBondContact O-N 2.84Å; T49-M52 PolarHBondContact O-N 3.24Å; M52-K54 VanDerWaalsContact C-N 3.31Å; M52-K54 PolarHBondContact O-N 3.12Å; M52-K55 PolarHBondContact O-N 3.27Å; M52-K55 VanDerWaalsContact O-N 3.16Å; M52-L56 PolarHBondContact O-N 3.48Å |
| 53 | K | 93.2 | Very high | 86.5 | Confident | 133 Ų | 133 | 118.3 Ų | 118.3 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.4 | -37.3 | 176.7 | -169.8 | 171.5 | -169.2 | 170.8 | 0 | 112 | T49 V50 E51 K57 | T49-K53 WeakPolarHBondContact O-CB 3.44Å; T49-K53 PolarHBondContact O-N 3.18Å; V50-K53 PolarHBondContact O-N 3.32Å; E51-K53 PolarHBondContact O-N 3.3Å; K53-K57 HydrophobicContact CG-CD 4.46Å; K53-K57 WeakPolarHBondContact O-CB 3.22Å; K53-K57 VanDerWaalsContact O-CG 3.29Å; K53-K57 WeakPolarHBondContact O-CG 3.5Å; K53-K57 PolarHBondContact O-N 3.37Å |
| 54 | K | 91.9 | Very high | 84.8 | Confident | 152 Ų | 152 | 120.1 Ų | 120.1 | 66% | 0.661 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.9 | -43.2 | 173.6 | -173.3 | -178.1 | 175.6 | -175.3 | 0 | 111.5 | V50 E51 M52 K57 E58 | V50-K54 PolarHBondContact O-N 3.38Å; E51-K54 PolarHBondContact O-N 2.93Å; M52-K54 VanDerWaalsContact C-N 3.31Å; M52-K54 PolarHBondContact O-N 3.12Å; K54-K57 PolarHBondContact O-N 3.38Å; K54-E58 WeakPolarHBondContact O-CB 3.42Å; K54-E58 PolarHBondContact O-N 2.89Å |
| 55 | K | 91.7 | Very high | 82.6 | Confident | 131 Ų | 131 | 117.6 Ų | 117.6 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.7 | -44.2 | 178 | -68.9 | 175.7 | -177.9 | -177.5 | 0 | 112.5 | E51 M52 E58 N59 | E51-K55 WeakPolarHBondContact O-CG 3.34Å; E51-K55 PolarHBondContact O-N 3.46Å; M52-K55 PolarHBondContact O-N 3.27Å; M52-K55 VanDerWaalsContact O-N 3.16Å; K55-E58 PolarHBondContact O-N 2.97Å; K55-N59 PolarHBondContact O-N 3.34Å; K55-N59 PolarHBondContact O-ND2 3.46Å |
| 56 | L | 91.3 | Very high | 80.9 | Confident | 99 Ų | 99 | 115 Ų | 115 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.9 | -46.3 | 176.4 | -67.6 | -178.6 | 0 | 0 | 0 | 111.4 | M52 E58 N59 E60 | M52-L56 PolarHBondContact O-N 3.48Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.37Å; L56-N59 PolarHBondContact O-N 2.96Å; L56-N59 VanDerWaalsContact O-N 3.16Å; L56-E60 WeakPolarHBondContact O-CG 3.48Å; L56-E60 PolarHBondContact O-N 3.46Å |
| 57 | K | 88.4 | Confident | 78.4 | Confident | 107 Ų | 107 | 119 Ų | 119 | 47% | 0.465 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.5 | -42.1 | 173.9 | -73.9 | 178.1 | 176.4 | -167.8 | 0 | 112.1 | K53 K54 N59 E60 N61 | K53-K57 HydrophobicContact CG-CD 4.46Å; K53-K57 WeakPolarHBondContact O-CB 3.22Å; K53-K57 VanDerWaalsContact O-CG 3.29Å; K53-K57 WeakPolarHBondContact O-CG 3.5Å; K53-K57 PolarHBondContact O-N 3.37Å; K54-K57 PolarHBondContact O-N 3.38Å; K57-N59 VanDerWaalsContact C-N 3.28Å; K57-N59 PolarHBondContact O-N 2.81Å; K57-E60 PolarHBondContact O-N 3.21Å; K57-N61 WeakPolarHBondContact O-CB 3.46Å; K57-N61 PolarHBondContact O-N 3.33Å; K57-N61 PolarHBondContact O-ND2 3.11Å |
| 58 | E | 86.4 | Confident | 75.5 | Confident | 97 Ų | 97 | 119.4 Ų | 119.4 | 45% | 0.453 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62 | -36.3 | 177.5 | -170.9 | -173.5 | 150 | 0 | 0 | 112.3 | K54 K55 L56 K62 | K54-E58 WeakPolarHBondContact O-CB 3.42Å; K54-E58 PolarHBondContact O-N 2.89Å; K55-E58 PolarHBondContact O-N 2.97Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.37Å; E58-K62 WeakPolarHBondContact O-CD 3.46Å; E58-K62 WeakPolarHBondContact O-CG 3.32Å; E58-K62 PolarHBondContact O-N 3.37Å; E58-K62 VanDerWaalsContact O-N 3.14Å; E58-K62 WeakPolarHBondContact OE1-CE 3.48Å; E58-K62 IonicContact OE1-NZ 2.82Å; E58-K62 PolarHBondContact OE1-NZ 3.07Å |
| 59 | N | 80.1 | Confident | 73.5 | Confident | 103 Ų | 103 | 116.6 Ų | 116.6 | 55% | 0.551 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.1 | -36.7 | 174.4 | -68.6 | -31.6 | 0 | 0 | 0 | 112.4 | K55 L56 K57 | K55-N59 PolarHBondContact O-N 3.34Å; K55-N59 PolarHBondContact O-ND2 3.46Å; L56-N59 PolarHBondContact O-N 2.96Å; L56-N59 VanDerWaalsContact O-N 3.16Å; K57-N59 VanDerWaalsContact C-N 3.28Å; K57-N59 PolarHBondContact O-N 2.81Å |
| 60 | E | 78.2 | Confident | 70.7 | Confident | 145 Ų | 145 | 115.1 Ų | 115.1 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.5 | -35 | 175.5 | -68.3 | 166.9 | 175.1 | 0 | 0 | 112.7 | L56 K57 K62 | L56-E60 WeakPolarHBondContact O-CG 3.48Å; L56-E60 PolarHBondContact O-N 3.46Å; K57-E60 PolarHBondContact O-N 3.21Å; E60-K62 VanDerWaalsContact C-N 3.31Å |
| 61 | N | 66.4 | Low | 68.3 | Low | 125 Ų | 125 | 114.2 Ų | 114.2 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -85.1 | -0.9 | 179.6 | -73.5 | -87.5 | 0 | 0 | 0 | 113.2 | K57 P63 | K57-N61 WeakPolarHBondContact O-CB 3.46Å; K57-N61 PolarHBondContact O-N 3.33Å; K57-N61 PolarHBondContact O-ND2 3.11Å; N61-P63 VanDerWaalsContact C-CD 3.49Å; N61-P63 WeakPolarHBondContact O-CD 3.34Å |
| 62 | K | 62.2 | Low | 65.9 | Low | 118 Ų | 118 | 120.1 Ų | 120.1 | 51% | 0.513 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -86.1 | 91.7 | 160.3 | -77 | 163.7 | -175 | 173.8 | 0 | 106.2 | E58 E60 L64 | E58-K62 WeakPolarHBondContact O-CD 3.46Å; E58-K62 WeakPolarHBondContact O-CG 3.32Å; E58-K62 PolarHBondContact O-N 3.37Å; E58-K62 VanDerWaalsContact O-N 3.14Å; E58-K62 WeakPolarHBondContact OE1-CE 3.48Å; E58-K62 IonicContact OE1-NZ 2.82Å; E58-K62 PolarHBondContact OE1-NZ 3.07Å; E60-K62 VanDerWaalsContact C-N 3.31Å; K62-L64 PolarHBondContact O-N 3.22Å |
| 63 | P | 52.9 | Low | 63.2 | Low | 108 Ų | 108 | 120.4 Ų | 120.4 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | trans | -57.9 | 137.6 | 171.3 | 27.6 | -34.8 | 0 | 0 | 0 | 107.5 | N61 S65 | N61-P63 VanDerWaalsContact C-CD 3.49Å; N61-P63 WeakPolarHBondContact O-CD 3.34Å; P63-S65 PolarHBondContact O-N 3.26Å | ||
| 64 | L | 55 | Low | 60.7 | Low | 165 Ų | 165 | 118.9 Ų | 118.9 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -51 | 81.7 | 172.5 | -64.3 | 148.4 | 0 | 0 | 0 | 110.5 | K62 I66 | K62-L64 PolarHBondContact O-N 3.22Å; L64-I66 PolarHBondContact O-N 3.18Å | ||
| 65 | S | 48.2 | Very low | 58.5 | Low | 116 Ų | 116 | 118.2 Ų | 118.2 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | trans | -76 | 85.4 | 161.2 | 52.1 | 0 | 0 | 0 | 0 | 106.7 | P63 T67 | P63-S65 PolarHBondContact O-N 3.26Å; S65-T67 PolarHBondContact O-N 3.33Å | ||
| 66 | I | 55.1 | Low | 56.2 | Low | 147 Ų | 147 | 118.6 Ų | 118.6 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | trans | -61.1 | 112 | 171.4 | -71.6 | 172.2 | 0 | 0 | 0 | 108.8 | L64 | L64-I66 PolarHBondContact O-N 3.18Š| ||
| 67 | T | 41.8 | Very low | 54.1 | Low | 137 Ų | 137 | 121.2 Ų | 121.2 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | 165.9 | 116.6 | 135.3 | 48.5 | 0 | 0 | 0 | 0 | 107 | S65 | S65-T67 PolarHBondContact O-N 3.33Š| ||
| 68 | G | 31.6 | Very low | 52 | Low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | cis | -166.4 | -175.3 | 5.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 69 | P | 52.3 | Low | 50.3 | Low | 142 Ų | 142 | 129.3 Ų | 129.3 | 92% | 0.922 | 74% | 0.739 | S | S | * | * | trans | -73.4 | 128.3 | 169.2 | 32.4 | -29.2 | 0 | 0 | 0 | 107.8 | ||||
| 70 | G | 34.7 | Very low | 48.5 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -164 | 59.9 | -176 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 71 | G | 43.9 | Very low | 46.8 | Very low | 63 Ų | 63 | 135.4 Ų | 135.4 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | -56.3 | 133.6 | 145.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | S73 | G71-S73 PolarHBondContact O-N 3.34Š| ||
| 72 | E | 43.6 | Very low | 45.5 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -4.2 | 99.5 | 137.2 | 37.2 | -179.2 | 90.3 | 0 | 0 | 114 | ||
| 73 | S | 37.5 | Very low | 44.5 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 150.7 | 123 | 141.5 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | G71 | G71-S73 PolarHBondContact O-N 3.34Š| ||
| 74 | S | 41 | Very low | 44.1 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 50.7 | 109.9 | 140.4 | -75.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 75 | I | 47.3 | Very low | 43.5 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | 64.4 | 102.5 | 113 | -62.2 | 167.9 | 0 | 0 | 0 | 118.1 | |||||
| 76 | E | 42.1 | Very low | 43.7 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | 68.3 | 128.7 | 125.6 | -64.8 | -167.3 | 124.5 | 0 | 0 | 123.3 | |||||
| 77 | K | 48 | Very low | 43.4 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | trans | 74.4 | 108.2 | 140.7 | -66.2 | 159.1 | -172.8 | 151.8 | 0 | 118.1 | ||||
| 78 | K | 43.5 | Very low | 43.7 | Very low | 206 Ų | 206 | 144 Ų | 144 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | 175.1 | 124.2 | 97.7 | -95.9 | -178.5 | -176.8 | -174.8 | 0 | 112.1 | |||||
| 79 | I | 50.3 | Low | 44.2 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -84 | 150.1 | 167.4 | -60.5 | 168.2 | 0 | 0 | 0 | 108.6 | ||||
| 80 | K | 43.5 | Very low | 44.1 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | 112.2 | 112.1 | 143.4 | -148.4 | 169 | -172.1 | 170.5 | 0 | 117.2 | ||||
| 81 | K | 42.3 | Very low | 45 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | 170.5 | 115.7 | 120.8 | -87.9 | 162.6 | -175.6 | -176.6 | 0 | 108.2 | |||||
| 82 | K | 39.1 | Very low | 45.4 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | 50.6 | 138.1 | 95.8 | -81 | -162.2 | 175.8 | -160.3 | 0 | 112.8 | |||||
| 83 | A | 41.4 | Very low | 45.6 | Very low | 83 Ų | 83 | 149.6 Ų | 149.6 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | cis | 179.3 | 157.9 | -9.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 84 | K | 44.9 | Very low | 46.4 | Very low | 195 Ų | 195 | 150 Ų | 150 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | 63 | 120.2 | 160.3 | -68.9 | -179.8 | 173.6 | -174.9 | 0 | 118.5 | ||||
| 85 | D | 42.6 | Very low | 47 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | -161.7 | 147.8 | 100.3 | -111.2 | -41.3 | 0 | 0 | 0 | 112.3 | |||||
| 86 | L | 51.5 | Low | 47.1 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -98.5 | 133.2 | 176.4 | -68.7 | 162.6 | 0 | 0 | 0 | 108.1 | ||||
| 87 | S | 48.2 | Very low | 47.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -161.5 | 102.7 | 152.2 | 56.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 88 | N | 48.5 | Very low | 47.8 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -85.4 | 117 | 162.4 | 174.1 | 72 | 0 | 0 | 0 | 107.4 | ||||
| 89 | D | 43 | Very low | 48.2 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -179.3 | 124.7 | 143.2 | -154.9 | -100.1 | 0 | 0 | 0 | 110.3 | ||||
| 90 | S | 49.9 | Very low | 48.3 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | 168.2 | 111.7 | 125.4 | 40.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 91 | S | 53.8 | Low | 48.8 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -67.9 | 141.3 | 167.2 | 43.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 92 | N | 51.3 | Low | 49.4 | Very low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -155.5 | 118.3 | 143.4 | -162.1 | 55 | 0 | 0 | 0 | 111.6 | ||||
| 93 | D | 48.8 | Very low | 50 | Low | 139 Ų | 139 | 132.5 Ų | 132.5 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 149.5 | 163.4 | -76.5 | -80.6 | 0 | 0 | 0 | 111.5 | ||||
| 94 | S | 52.6 | Low | 50.6 | Low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | 177 | 127.4 | 127.7 | -74.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 95 | D | 54.3 | Low | 51.1 | Low | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -47.6 | 154 | 157.8 | -92.9 | -84.4 | 0 | 0 | 0 | 113.7 | ||||
| 96 | D | 48.7 | Very low | 51.5 | Low | 142 Ų | 142 | 127.8 Ų | 127.8 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | 169.3 | 132.5 | 108.8 | -167.1 | -131.7 | 0 | 0 | 0 | 114.6 | |||||
| 97 | S | 52 | Low | 51.7 | Low | 84 Ų | 84 | 126.2 Ų | 126.2 | 59% | 0.587 | 78% | 0.781 | S | S | * | * | trans | 68.7 | 105.9 | 145.1 | -73.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 98 | S | 53.3 | Low | 52 | Low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 38.7 | 124.2 | 117.4 | 65.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 99 | S | 52.8 | Low | 52.4 | Low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | -176.1 | 106.1 | 126.8 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 100 | D | 51.4 | Low | 53 | Low | 135 Ų | 135 | 121.7 Ų | 121.7 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | 56.1 | 106.2 | 92 | -135.4 | -41 | 0 | 0 | 0 | 114.1 | |||||
| 101 | S | 54.1 | Low | 53.2 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -165.9 | 105.7 | 148.8 | -78.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 102 | S | 55 | Low | 53.3 | Low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -63.9 | 140.7 | 160.7 | -52.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 103 | D | 51.9 | Low | 53.3 | Low | 147 Ų | 147 | 122.1 Ų | 122.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -172.8 | 123 | 132.9 | -133.5 | -97.8 | 0 | 0 | 0 | 113.5 | ||||
| 104 | S | 54.9 | Low | 53.8 | Low | 102 Ų | 102 | 120.4 Ų | 120.4 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 63.9 | 126.5 | 137.9 | -60.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 105 | S | 55.5 | Low | 53.8 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -61.4 | 167.7 | 162 | 41.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 106 | D | 50.8 | Low | 54 | Low | 128 Ų | 128 | 120.7 Ų | 120.7 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | trans | 102.5 | 90.2 | 154.1 | -139.2 | -63.1 | 0 | 0 | 0 | 116.9 | S108 | D106-S108 PolarHBondContact O-N 2.93Å; D106-S108 PolarHBondContact OD1-N 3.42Å; D106-S108 PolarHBondContact OD1-OG 3.32Å | ||
| 107 | S | 54 | Low | 54.6 | Low | 133 Ų | 133 | 119 Ų | 119 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -88.8 | 78 | 164.6 | -69.6 | 0 | 0 | 0 | 0 | 109.9 | S109 | S107-S109 PolarHBondContact O-N 3.48Š| ||
| 108 | S | 55.1 | Low | 55 | Low | 102 Ų | 102 | 120.7 Ų | 120.7 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -74.8 | 115.3 | 166.5 | -76.4 | 0 | 0 | 0 | 0 | 110.2 | D106 | D106-S108 PolarHBondContact O-N 2.93Å; D106-S108 PolarHBondContact OD1-N 3.42Å; D106-S108 PolarHBondContact OD1-OG 3.32Å | ||
| 109 | S | 57.1 | Low | 55.1 | Low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -70.9 | 121.8 | 171.4 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | S107 | S107-S109 PolarHBondContact O-N 3.48Š| ||
| 110 | S | 56.1 | Low | 55.4 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -177.6 | 115.4 | 148.8 | -82.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 111 | S | 53.4 | Low | 55.7 | Low | 117 Ų | 117 | 120.8 Ų | 120.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -144.9 | 110.3 | 158.9 | -55.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 112 | S | 56.1 | Low | 55.8 | Low | 114 Ų | 114 | 120.9 Ų | 120.9 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -95.9 | 124.9 | 171.7 | -54.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 113 | D | 52.3 | Low | 56.1 | Low | 158 Ų | 158 | 121.1 Ų | 121.1 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -116.3 | 114.1 | 171.6 | -71 | -59.3 | 0 | 0 | 0 | 109.3 | ||||
| 114 | S | 57.7 | Low | 56.2 | Low | 104 Ų | 104 | 120.2 Ų | 120.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -119.4 | 148.4 | 168.2 | -67.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 115 | D | 52.8 | Low | 56.3 | Low | 155 Ų | 155 | 120.8 Ų | 120.8 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | 79.9 | 117.8 | 158.3 | -59.2 | -55.4 | 0 | 0 | 0 | 120.2 | ||||
| 116 | S | 59.4 | Low | 56.3 | Low | 129 Ų | 129 | 121.4 Ų | 121.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -142.3 | 111.7 | 143.6 | -146.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 117 | S | 60.5 | Low | 56.7 | Low | 107 Ų | 107 | 120.9 Ų | 120.9 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -107 | 128.2 | 170.9 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 118 | S | 60.9 | Low | 56.9 | Low | 118 Ų | 118 | 120 Ų | 120 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -143.1 | 113.6 | 159.9 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 119 | S | 55.8 | Low | 56.5 | Low | 121 Ų | 121 | 120.2 Ų | 120.2 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -76.8 | 138.9 | 174.4 | -25.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 120 | S | 59.7 | Low | 56.3 | Low | 120 Ų | 120 | 119 Ų | 119 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -134.3 | 104.9 | 156.5 | 46.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 121 | S | 56.6 | Low | 56 | Low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -84.1 | 122.8 | 170 | 44.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 122 | S | 57.3 | Low | 56 | Low | 125 Ų | 125 | 122.1 Ų | 122.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -134.3 | 115.9 | 158.2 | 44.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 123 | S | 60 | Low | 55.9 | Low | 108 Ų | 108 | 121.7 Ų | 121.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -113.8 | 124.6 | -179.8 | 44.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 124 | S | 54.4 | Low | 55.8 | Low | 128 Ų | 128 | 122.3 Ų | 122.3 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -161.5 | 134.1 | 143.6 | -23.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 125 | S | 57.6 | Low | 55.7 | Low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -73.2 | 157.5 | -174.8 | -36.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 126 | S | 54.2 | Low | 55.6 | Low | 127 Ų | 127 | 122.8 Ų | 122.8 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -179.5 | 124.3 | 134.6 | -74.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 127 | S | 59.8 | Low | 55.4 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -105.1 | 160.9 | 164.7 | -50.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 128 | P | 57.8 | Low | 54.8 | Low | 114 Ų | 114 | 122 Ų | 122 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | -159.4 | 178 | 72.3 | 41.2 | -18.7 | 0 | 0 | 0 | 118.3 | |||||
| 129 | S | 48.1 | Very low | 54.3 | Low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 84 | 127.9 | 152.2 | -42.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 130 | S | 51.8 | Low | 53.9 | Low | 84 Ų | 84 | 123.8 Ų | 123.8 | 59% | 0.587 | 80% | 0.8 | S | S | * | * | cis | -169.4 | 162.6 | 18 | -41.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 131 | E | 49.8 | Very low | 53.7 | Low | 167 Ų | 167 | 122.8 Ų | 122.8 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | 55.2 | 112.9 | 142.7 | 61.7 | -127.9 | 142.6 | 0 | 0 | 123.7 | ||||
| 132 | S | 52.7 | Low | 53.4 | Low | 127 Ų | 127 | 124.8 Ų | 124.8 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | -153.7 | 125 | 124.2 | -77.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 133 | S | 54.7 | Low | 53.3 | Low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -58.5 | 147.3 | 171.9 | -46.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 134 | D | 49.6 | Very low | 53.3 | Low | 170 Ų | 170 | 125 Ų | 125 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -164.7 | 123.2 | 131 | -89.3 | -42.9 | 0 | 0 | 0 | 109.5 | ||||
| 135 | S | 56.3 | Low | 54 | Low | 96 Ų | 96 | 124.8 Ų | 124.8 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -68 | 164.6 | 169.5 | -67.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 136 | E | 50.9 | Low | 54.3 | Low | 173 Ų | 173 | 125.4 Ų | 125.4 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 144.9 | 98.9 | 144.3 | -66.5 | -29.4 | 112.3 | 0 | 0 | 111.8 | ||||
| 137 | S | 54.3 | Low | 54.8 | Low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -6.5 | 132.8 | 146.8 | -173.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 138 | S | 49.3 | Very low | 55 | Low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | -178.1 | 121.5 | 111.5 | -76.6 | 0 | 0 | 0 | 0 | 111.4 | D140 | S138-D140 PolarHBondContact O-N 3.47Š| |||
| 139 | S | 49.6 | Very low | 55.3 | Low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -80.7 | 108.8 | 171.2 | -168.1 | 0 | 0 | 0 | 0 | 108.3 | S141 | S139-S141 PolarHBondContact O-N 3.02Š| ||
| 140 | D | 46.8 | Very low | 56.1 | Low | 161 Ų | 161 | 142 Ų | 142 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -81.8 | 98.7 | 175.2 | -158.5 | -101.6 | 0 | 0 | 0 | 108.3 | S138 | S138-D140 PolarHBondContact O-N 3.47Š| ||
| 141 | S | 55.3 | Low | 56.5 | Low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | trans | -75.8 | 123.7 | 168.6 | -71.4 | 0 | 0 | 0 | 0 | 108.9 | S139 E143 | S139-S141 PolarHBondContact O-N 3.02Å; S141-E143 PolarHBondContact O-N 3.01Å | ||
| 142 | D | 52 | Low | 56.7 | Low | 162 Ų | 162 | 149.8 Ų | 149.8 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -54.4 | 99.1 | 170.4 | -168.8 | -101.7 | 0 | 0 | 0 | 110.8 | ||||
| 143 | E | 54.8 | Low | 56.9 | Low | 187 Ų | 187 | 156.9 Ų | 156.9 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -116.7 | 103.1 | 170.1 | -165.3 | 98.5 | 80 | 0 | 0 | 108.4 | S141 | S141-E143 PolarHBondContact O-N 3.01Š| ||
| 144 | G | 60.5 | Low | 57 | Low | 51 Ų | 51 | 159.4 Ų | 159.4 | 53% | 0.526 | 84% | 0.836 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 167.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 145 | P | 68.8 | Low | 57.4 | Low | 123 Ų | 123 | 158.8 Ų | 158.8 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.6 | -170.3 | 24.6 | -33.6 | 0 | 0 | 0 | 113.1 | K147 | P145-K147 PolarHBondContact O-N 3.05Š|
| 146 | P | 63.1 | Low | 57.4 | Low | 128 Ų | 128 | 162.3 Ų | 162.3 | 83% | 0.831 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 121.8 | -173.7 | 25.3 | -33.7 | 0 | 0 | 0 | 112.3 | K148 | P146-K148 PolarHBondContact O-N 3.14Š|
| 147 | K | 64.1 | Low | 57.8 | Low | 199 Ų | 199 | 161.7 Ų | 161.7 | 87% | 0.865 | 84% | 0.843 | S | S | * | * | trans | -65.7 | 113.8 | 170 | -69.4 | -179.5 | -179.3 | 174.7 | 0 | 109.8 | P145 K149 | P145-K147 PolarHBondContact O-N 3.05Å; K147-K149 PolarHBondContact O-N 3.49Å; K147-K149 VanDerWaalsContact O-N 3.11Å | ||
| 148 | K | 63.8 | Low | 58 | Low | 202 Ų | 202 | 165.1 Ų | 165.1 | 88% | 0.878 | 85% | 0.849 | S | S | * | * | trans | -58.8 | 110.2 | 169.7 | -67.1 | -179.2 | 178.7 | 178.3 | 0 | 109.9 | P146 K150 | P146-K148 PolarHBondContact O-N 3.14Å; K148-K150 PolarHBondContact O-N 3.5Å | ||
| 149 | K | 64.8 | Low | 58.6 | Low | 208 Ų | 208 | 168.6 Ų | 168.6 | 90% | 0.904 | 85% | 0.853 | S | S | * | * | trans | -71.2 | 114.6 | 167.9 | -71.1 | -176.8 | 177.9 | 177.8 | 0 | 108.8 | K147 K151 | K147-K149 PolarHBondContact O-N 3.49Å; K147-K149 VanDerWaalsContact O-N 3.11Å; K149-K151 PolarHBondContact O-N 3.27Å | ||
| 150 | K | 65.3 | Low | 59.2 | Low | 205 Ų | 205 | 172.4 Ų | 172.4 | 89% | 0.891 | 86% | 0.855 | S | S | * | * | trans | -69.2 | 122.6 | 168.8 | -75.7 | -177.1 | 174.1 | -179.9 | 0 | 108.8 | K148 K152 | K148-K150 PolarHBondContact O-N 3.5Å; K150-K152 PolarHBondContact O-N 2.73Å | ||
| 151 | K | 60.4 | Low | 60.2 | Low | 208 Ų | 208 | 173.2 Ų | 173.2 | 90% | 0.904 | 86% | 0.855 | S | S | * | * | trans | -70.7 | 114.6 | 170.2 | -162.2 | 174.7 | -177.6 | -180 | 0 | 107.8 | K149 | K149-K151 PolarHBondContact O-N 3.27Š| ||
| 152 | K | 53.9 | Low | 60.6 | Low | 205 Ų | 205 | 179.5 Ų | 179.5 | 89% | 0.891 | 87% | 0.869 | S | S | * | * | trans | -67.3 | 133.5 | 166.8 | -100 | -177.1 | 170.3 | -176.4 | 0 | 107.9 | K150 | K150-K152 PolarHBondContact O-N 2.73Š| ||
| 153 | K | 55.8 | Low | 61.4 | Low | 276 Ų | 276 | 181.1 Ų | 181.1 | 100% | 1.2 | 87% | 0.869 | S | S | * | * | trans | -80.4 | 0 | 165.9 | -175.9 | 173.5 | 177 | 179.9 | 0 | 108.7 |
Retrieved 153 of 153 residues in 124.6 ms
(Link to these results)