| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.9 | Low | 68.7 | Low | 222 Ų | 222 | 123.4 Ų | 123.4 | 100% | 1.094 | 65% | 0.649 | S | S | * | * | 0 | 104.7 | 0 | -97.4 | 56.2 | 173.5 | 0 | 0 | 107.9 | I3 | M1-I3 WeakPolarHBondContact O-CG1 3.47Å; M1-I3 PolarHBondContact O-N 3.21Å | |||
| 2 | D | 56.7 | Low | 69.9 | Low | 143 Ų | 143 | 121.9 Ų | 121.9 | 77% | 0.765 | 65% | 0.649 | S | S | * | * | trans | -69.3 | 97 | 179.5 | -69.6 | -70.9 | 0 | 0 | 0 | 110.7 | Y4 D5 | D2-Y4 PolarHBondContact O-N 3.05Å; D2-Y4 VanDerWaalsContact O-N 3.13Å; D2-D5 PolarHBondContact O-N 3.41Å | ||
| 3 | I | 60.2 | Low | 71.1 | Confident | 140 Ų | 140 | 120.2 Ų | 120.2 | 72% | 0.718 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -4.8 | 172.2 | -35.6 | 177.5 | 0 | 0 | 0 | 110.7 | M1 | M1-I3 WeakPolarHBondContact O-CG1 3.47Å; M1-I3 PolarHBondContact O-N 3.21Å |
| 4 | Y | 63.8 | Low | 72.1 | Confident | 198 Ų | 198 | 121.8 Ų | 121.8 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 18.8 | -176.5 | -73 | -83.8 | 0 | 0 | 0 | 113.8 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.05Å; D2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-T6 PolarHBondContact O-N 3.23Å |
| 5 | D | 70.4 | Confident | 73.1 | Confident | 75 Ų | 75 | 115.9 Ų | 115.9 | 40% | 0.401 | 62% | 0.624 | S | S | . | * | trans | -63.1 | 126.7 | 168.1 | 178 | 26.8 | 0 | 0 | 0 | 109.7 | D2 Q7 T8 L9 | D2-D5 PolarHBondContact O-N 3.41Å; D5-Q7 PolarHBondContact O-N 3.27Å; D5-Q7 VanDerWaalsContact O-N 3.16Å; D5-Q7 PolarHBondContact OD1-N 3.41Å; D5-T8 WeakPolarHBondContact CB-OG1 2.96Å; D5-T8 PolarHBondContact O-N 3.06Å; D5-T8 VanDerWaalsContact O-N 3.13Å; D5-T8 PolarHBondContact O-OG1 3.31Å; D5-L9 PolarHBondContact O-N 3.13Å | ||
| 6 | T | 69.2 | Low | 74.2 | Confident | 119 Ų | 119 | 111 Ų | 111 | 73% | 0.73 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.3 | -26.6 | -173.4 | -50.7 | 0 | 0 | 0 | 0 | 111 | Y4 G10 | Y4-T6 PolarHBondContact O-N 3.23Å; T6-G10 PolarHBondContact O-N 2.66Å; T6-G10 VanDerWaalsContact O-N 3.11Å |
| 7 | Q | 73.5 | Confident | 75.2 | Confident | 153 Ų | 153 | 112.6 Ų | 112.6 | 72% | 0.715 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.9 | -48.3 | 172.9 | -81.3 | -169.7 | 3.6 | 0 | 0 | 112.9 | D5 G10 V11 | D5-Q7 PolarHBondContact O-N 3.27Å; D5-Q7 VanDerWaalsContact O-N 3.16Å; D5-Q7 PolarHBondContact OD1-N 3.41Å; Q7-G10 WeakPolarHBondContact O-CA 3.38Å; Q7-G10 PolarHBondContact O-N 3.46Å; Q7-G10 VanDerWaalsContact O-N 3.14Å; Q7-V11 WeakPolarHBondContact O-CG2 3.46Å; Q7-V11 PolarHBondContact O-N 3.12Å |
| 8 | T | 75.4 | Confident | 76.2 | Confident | 67 Ų | 67 | 113.3 Ų | 113.3 | 41% | 0.411 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.2 | -41.3 | 179.9 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | D5 G10 V11 V12 | D5-T8 WeakPolarHBondContact CB-OG1 2.96Å; D5-T8 PolarHBondContact O-N 3.06Å; D5-T8 VanDerWaalsContact O-N 3.13Å; D5-T8 PolarHBondContact O-OG1 3.31Å; T8-G10 VanDerWaalsContact C-N 3.26Å; T8-G10 PolarHBondContact O-N 3.23Å; T8-V11 PolarHBondContact O-N 3.24Å; T8-V11 VanDerWaalsContact O-N 3.14Å; T8-V12 WeakPolarHBondContact O-CG2 3.13Å; T8-V12 PolarHBondContact O-N 3.24Å |
| 9 | L | 77.3 | Confident | 77.1 | Confident | 95 Ų | 95 | 112.1 Ų | 112.1 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.1 | -40.4 | 172.9 | -158.4 | 80 | 0 | 0 | 0 | 111.3 | D5 V12 V13 | D5-L9 PolarHBondContact O-N 3.13Å; L9-V12 PolarHBondContact O-N 3.12Å; L9-V13 WeakPolarHBondContact O-CB 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 3.21Å |
| 10 | G | 76.6 | Confident | 78 | Confident | 37 Ų | 37 | 111.5 Ų | 111.5 | 38% | 0.381 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T6 Q7 T8 F14 | T6-G10 PolarHBondContact O-N 2.66Å; T6-G10 VanDerWaalsContact O-N 3.11Å; Q7-G10 WeakPolarHBondContact O-CA 3.38Å; Q7-G10 PolarHBondContact O-N 3.46Å; Q7-G10 VanDerWaalsContact O-N 3.14Å; T8-G10 VanDerWaalsContact C-N 3.26Å; T8-G10 PolarHBondContact O-N 3.23Å; G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 2.75Å |
| 11 | V | 81.2 | Confident | 78.6 | Confident | 108 Ų | 108 | 108.1 Ų | 108.1 | 66% | 0.655 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.2 | -41.3 | 178.2 | 176 | 0 | 0 | 0 | 0 | 111.5 | Q7 T8 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.46Å; Q7-V11 PolarHBondContact O-N 3.12Å; T8-V11 PolarHBondContact O-N 3.24Å; T8-V11 VanDerWaalsContact O-N 3.14Å; V11-G15 WeakPolarHBondContact O-CA 3.33Å; V11-G15 PolarHBondContact O-N 3.43Å |
| 12 | V | 83.5 | Confident | 80.7 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.2 | -45.5 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | T8 L9 G16 | T8-V12 WeakPolarHBondContact O-CG2 3.13Å; T8-V12 PolarHBondContact O-N 3.24Å; L9-V12 PolarHBondContact O-N 3.12Å; V12-G16 PolarHBondContact O-N 2.87Å |
| 13 | V | 85.7 | Confident | 82.5 | Confident | 99 Ų | 99 | 98 Ų | 98 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.8 | -44.6 | 178.6 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L9 F17 | L9-V13 WeakPolarHBondContact O-CB 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 3.21Å; V13-F17 VanDerWaalsContact O-CB 3.31Å; V13-F17 WeakPolarHBondContact O-CB 2.86Å; V13-F17 PolarHBondContact O-N 3.04Å |
| 14 | F | 84.9 | Confident | 84.1 | Confident | 143 Ų | 143 | 92.9 Ų | 92.9 | 63% | 0.627 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.1 | -39.3 | -177.8 | -146 | -90.8 | 0 | 0 | 0 | 112.2 | G10 M18 | G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 2.75Å; F14-M18 WeakPolarHBondContact O-CB 3.46Å; F14-M18 PolarHBondContact O-N 2.9Å |
| 15 | G | 87.2 | Confident | 85.3 | Confident | 34 Ų | 34 | 89 Ų | 89 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | V11 F17 M18 V19 | V11-G15 WeakPolarHBondContact O-CA 3.33Å; V11-G15 PolarHBondContact O-N 3.43Å; G15-F17 PolarHBondContact O-N 2.89Å; G15-M18 WeakPolarHBondContact O-CB 3.31Å; G15-M18 PolarHBondContact O-N 2.79Å; G15-V19 WeakPolarHBondContact O-CG2 3.44Å; G15-V19 PolarHBondContact O-N 3.1Å; G15-V19 VanDerWaalsContact O-N 3.08Å |
| 16 | G | 90.1 | Very high | 86.2 | Confident | 37 Ų | 37 | 92 Ų | 92 | 38% | 0.381 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V12 M18 V19 V20 | V12-G16 PolarHBondContact O-N 2.87Å; G16-M18 VanDerWaalsContact C-N 3.34Å; G16-M18 PolarHBondContact O-N 3.03Å; G16-V19 PolarHBondContact O-N 3.18Å; G16-V20 WeakPolarHBondContact O-CG2 3.27Å; G16-V20 PolarHBondContact O-N 2.99Å |
| 17 | F | 91.9 | Very high | 87 | Confident | 138 Ų | 138 | 91.3 Ų | 91.3 | 61% | 0.605 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -38.8 | 176.1 | -175.9 | -100.2 | 0 | 0 | 0 | 112.8 | V13 G15 S21 | V13-F17 VanDerWaalsContact O-CB 3.31Å; V13-F17 WeakPolarHBondContact O-CB 2.86Å; V13-F17 PolarHBondContact O-N 3.04Å; G15-F17 PolarHBondContact O-N 2.89Å; F17-S21 WeakPolarHBondContact CE1-OG 3.44Å; F17-S21 VanDerWaalsContact O-CB 3.26Å; F17-S21 WeakPolarHBondContact O-CB 3.36Å; F17-S21 PolarHBondContact O-N 2.95Å; F17-S21 PolarHBondContact O-OG 2.99Å |
| 18 | M | 93.9 | Very high | 87.5 | Confident | 126 Ų | 126 | 88.5 Ų | 88.5 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -44.6 | 174.8 | -90.7 | -95.9 | 154.9 | 0 | 0 | 112 | F14 G15 G16 S21 A22 | F14-M18 WeakPolarHBondContact O-CB 3.46Å; F14-M18 PolarHBondContact O-N 2.9Å; G15-M18 WeakPolarHBondContact O-CB 3.31Å; G15-M18 PolarHBondContact O-N 2.79Å; G16-M18 VanDerWaalsContact C-N 3.34Å; G16-M18 PolarHBondContact O-N 3.03Å; M18-S21 PolarHBondContact O-N 2.88Å; M18-A22 WeakPolarHBondContact O-CB 3.31Å; M18-A22 PolarHBondContact O-N 2.83Å |
| 19 | V | 92.9 | Very high | 87.6 | Confident | 89 Ų | 89 | 88.4 Ų | 88.4 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 179.1 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.44Å; G15-V19 PolarHBondContact O-N 3.1Å; G15-V19 VanDerWaalsContact O-N 3.08Å; G16-V19 PolarHBondContact O-N 3.18Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.76Å; V19-A22 PolarHBondContact O-N 3.48Å; V19-I23 HydrophobicContact CG1-CD1 4.05Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 2.96Å |
| 20 | V | 94.1 | Very high | 87.6 | Confident | 101 Ų | 101 | 86.8 Ų | 86.8 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 178.1 | 176 | 0 | 0 | 0 | 0 | 111.1 | G16 I23 G24 | G16-V20 WeakPolarHBondContact O-CG2 3.27Å; G16-V20 PolarHBondContact O-N 2.99Å; V20-I23 PolarHBondContact O-N 3.18Å; V20-G24 PolarHBondContact O-N 3.08Å |
| 21 | S | 92.3 | Very high | 87.2 | Confident | 40 Ų | 40 | 92.8 Ų | 92.8 | 28% | 0.28 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.9 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | F17 M18 V19 I23 G24 I25 | F17-S21 WeakPolarHBondContact CE1-OG 3.44Å; F17-S21 VanDerWaalsContact O-CB 3.26Å; F17-S21 WeakPolarHBondContact O-CB 3.36Å; F17-S21 PolarHBondContact O-N 2.95Å; F17-S21 PolarHBondContact O-OG 2.99Å; M18-S21 PolarHBondContact O-N 2.88Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.76Å; S21-I23 PolarHBondContact O-N 3.43Å; S21-G24 PolarHBondContact O-N 2.98Å; S21-I25 WeakPolarHBondContact O-CD1 3.39Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.37Å; S21-I25 PolarHBondContact O-N 3.44Å |
| 22 | A | 94.4 | Very high | 86.6 | Confident | 58 Ų | 58 | 91.8 Ų | 91.8 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | M18 V19 I25 F26 | M18-A22 WeakPolarHBondContact O-CB 3.31Å; M18-A22 PolarHBondContact O-N 2.83Å; V19-A22 PolarHBondContact O-N 3.48Å; A22-I25 PolarHBondContact O-N 3.01Å; A22-F26 WeakPolarHBondContact O-CB 3.02Å; A22-F26 PolarHBondContact O-N 2.94Å |
| 23 | I | 93.8 | Very high | 85.5 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.3 | -64.7 | 166.3 | 0 | 0 | 0 | 110.7 | V19 V20 S21 I25 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 4.05Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 2.96Å; V20-I23 PolarHBondContact O-N 3.18Å; S21-I23 PolarHBondContact O-N 3.43Å; I23-I25 VanDerWaalsContact C-N 3.33Å; I23-I25 PolarHBondContact O-N 3.46Å; I23-F26 PolarHBondContact O-N 3.12Å; I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.39Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 3.29Å |
| 24 | G | 93.9 | Very high | 84 | Confident | 34 Ų | 34 | 98.1 Ų | 98.1 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | V20 S21 L27 V28 | V20-G24 PolarHBondContact O-N 3.08Å; S21-G24 PolarHBondContact O-N 2.98Å; G24-L27 PolarHBondContact O-N 3.47Å; G24-V28 WeakPolarHBondContact O-CG2 3.47Å; G24-V28 PolarHBondContact O-N 3.13Å |
| 25 | I | 88.4 | Confident | 82.8 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.6 | -40.7 | 176.5 | -60.7 | 159.8 | 0 | 0 | 0 | 110.5 | S21 A22 I23 L27 V28 S29 | S21-I25 WeakPolarHBondContact O-CD1 3.39Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.37Å; S21-I25 PolarHBondContact O-N 3.44Å; A22-I25 PolarHBondContact O-N 3.01Å; I23-I25 VanDerWaalsContact C-N 3.33Å; I23-I25 PolarHBondContact O-N 3.46Å; I25-L27 PolarHBondContact O-N 2.79Å; I25-V28 PolarHBondContact O-N 2.84Å; I25-S29 VanDerWaalsContact O-CB 3.25Å; I25-S29 WeakPolarHBondContact O-CB 3.39Å; I25-S29 PolarHBondContact O-N 2.81Å |
| 26 | F | 89.5 | Confident | 81.4 | Confident | 137 Ų | 137 | 102.6 Ų | 102.6 | 60% | 0.601 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.8 | -42.9 | 177.4 | -177.2 | -98.6 | 0 | 0 | 0 | 111.9 | A22 I23 S29 T30 | A22-F26 WeakPolarHBondContact O-CB 3.02Å; A22-F26 PolarHBondContact O-N 2.94Å; I23-F26 PolarHBondContact O-N 3.12Å; F26-S29 PolarHBondContact O-N 2.83Å; F26-T30 HydrophobicContact CD1-CG2 4.26Å; F26-T30 HydrophobicContact CD2-CG2 4.47Å; F26-T30 HydrophobicContact CE1-CG2 3.84Å; F26-T30 HydrophobicContact CE2-CG2 4.07Å; F26-T30 HydrophobicContact CZ-CG2 3.74Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 WeakPolarHBondContact O-CG2 3.25Å; F26-T30 PolarHBondContact O-N 3.43Å; F26-T30 PolarHBondContact O-OG1 2.92Å |
| 27 | L | 86.5 | Confident | 80.2 | Confident | 104 Ų | 104 | 104.4 Ų | 104.4 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66 | -44.1 | 177 | -69.3 | 175.8 | 0 | 0 | 0 | 112.2 | I23 G24 I25 S29 T30 F31 | I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.39Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 3.29Å; G24-L27 PolarHBondContact O-N 3.47Å; I25-L27 PolarHBondContact O-N 2.79Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.92Å; L27-T30 WeakPolarHBondContact CA-OG1 3.32Å; L27-T30 PolarHBondContact O-N 3.13Å; L27-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 VanDerWaalsContact O-OG1 3.08Å; L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 PolarHBondContact O-N 2.87Å |
| 28 | V | 83.9 | Confident | 78.8 | Confident | 94 Ų | 94 | 106.8 Ų | 106.8 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.9 | -44.5 | 174.7 | 164.5 | 0 | 0 | 0 | 0 | 110.8 | G24 I25 T30 F31 S32 | G24-V28 WeakPolarHBondContact O-CG2 3.47Å; G24-V28 PolarHBondContact O-N 3.13Å; I25-V28 PolarHBondContact O-N 2.84Å; V28-T30 PolarHBondContact O-N 2.95Å; V28-F31 PolarHBondContact O-N 2.88Å; V28-S32 WeakPolarHBondContact O-CB 3.07Å; V28-S32 PolarHBondContact O-N 2.95Å; V28-S32 PolarHBondContact O-OG 2.92Å; V28-S32 VanDerWaalsContact O-OG 3.11Å |
| 29 | S | 77.2 | Confident | 77.7 | Confident | 66 Ų | 66 | 108 Ų | 108 | 46% | 0.462 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.9 | -38.2 | -178.4 | -159.9 | 0 | 0 | 0 | 0 | 112.4 | I25 F26 L27 M33 | I25-S29 VanDerWaalsContact O-CB 3.25Å; I25-S29 WeakPolarHBondContact O-CB 3.39Å; I25-S29 PolarHBondContact O-N 2.81Å; F26-S29 PolarHBondContact O-N 2.83Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.92Å; S29-M33 WeakPolarHBondContact O-CG 3.39Å; S29-M33 PolarHBondContact O-N 2.86Å |
| 30 | T | 77.2 | Confident | 76.7 | Confident | 60 Ų | 60 | 109.1 Ų | 109.1 | 37% | 0.368 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73 | -34.8 | 176.7 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | F26 L27 V28 | F26-T30 HydrophobicContact CD1-CG2 4.26Å; F26-T30 HydrophobicContact CD2-CG2 4.47Å; F26-T30 HydrophobicContact CE1-CG2 3.84Å; F26-T30 HydrophobicContact CE2-CG2 4.07Å; F26-T30 HydrophobicContact CZ-CG2 3.74Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 WeakPolarHBondContact O-CG2 3.25Å; F26-T30 PolarHBondContact O-N 3.43Å; F26-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 WeakPolarHBondContact CA-OG1 3.32Å; L27-T30 PolarHBondContact O-N 3.13Å; L27-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 VanDerWaalsContact O-OG1 3.08Å; V28-T30 PolarHBondContact O-N 2.95Å |
| 31 | F | 69 | Low | 75.8 | Confident | 164 Ų | 164 | 107 Ų | 107 | 72% | 0.719 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -75.3 | -38 | 178.4 | -146.5 | -97 | 0 | 0 | 0 | 112.5 | L27 V28 M33 K34 | L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 PolarHBondContact O-N 2.87Å; V28-F31 PolarHBondContact O-N 2.88Å; F31-M33 PolarHBondContact O-N 3.07Å; F31-K34 PolarHBondContact O-N 2.89Å |
| 32 | S | 68.6 | Low | 75.2 | Confident | 86 Ų | 86 | 108 Ų | 108 | 60% | 0.601 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.1 | -19 | 175 | -68.7 | 0 | 0 | 0 | 0 | 113.5 | V28 K34 | V28-S32 WeakPolarHBondContact O-CB 3.07Å; V28-S32 PolarHBondContact O-N 2.95Å; V28-S32 PolarHBondContact O-OG 2.92Å; V28-S32 VanDerWaalsContact O-OG 3.11Å; S32-K34 VanDerWaalsContact C-N 3.32Å; S32-K34 PolarHBondContact O-N 2.86Å |
| 33 | M | 61.3 | Low | 74.5 | Confident | 161 Ų | 161 | 108 Ų | 108 | 79% | 0.793 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -1.6 | 177.6 | -76.9 | 174 | 131.3 | 0 | 0 | 114.4 | S29 F31 | S29-M33 WeakPolarHBondContact O-CG 3.39Å; S29-M33 PolarHBondContact O-N 2.86Å; F31-M33 PolarHBondContact O-N 3.07Å |
| 34 | K | 53.2 | Low | 73.9 | Confident | 178 Ų | 178 | 108.2 Ų | 108.2 | 77% | 0.774 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 0.7 | 179.5 | -82.4 | -175.3 | 72.4 | 174.3 | 0 | 115.6 | F31 S32 T36 | F31-K34 PolarHBondContact O-N 2.89Å; S32-K34 VanDerWaalsContact C-N 3.32Å; S32-K34 PolarHBondContact O-N 2.86Å; K34-T36 PolarHBondContact O-N 2.91Å; K34-T36 VanDerWaalsContact O-N 3.08Å |
| 35 | E | 59.2 | Low | 73.1 | Confident | 167 Ų | 167 | 111.7 Ų | 111.7 | 78% | 0.78 | 58% | 0.583 | S | S | * | * | trans | -80.5 | 93.4 | 170.7 | -62.7 | -162.7 | 160 | 0 | 0 | 109 | S37 | E35-S37 PolarHBondContact O-N 2.98Š| ||
| 36 | T | 57.7 | Low | 72.7 | Confident | 103 Ų | 103 | 114.7 Ų | 114.7 | 63% | 0.632 | 59% | 0.586 | S | S | * | * | trans | -42.3 | 113.7 | 158.9 | 38.4 | 0 | 0 | 0 | 0 | 108.1 | K34 Y38 | K34-T36 PolarHBondContact O-N 2.91Å; K34-T36 VanDerWaalsContact O-N 3.08Å; T36-Y38 PolarHBondContact O-N 3.11Å | ||
| 37 | S | 64.8 | Low | 72.3 | Confident | 76 Ų | 76 | 114 Ų | 114 | 53% | 0.531 | 58% | 0.583 | S | S | . | * | trans | -55 | 137.4 | -177.2 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | E35 E39 E40 A41 | E35-S37 PolarHBondContact O-N 2.98Å; S37-E39 PolarHBondContact O-N 2.86Å; S37-E40 WeakPolarHBondContact O-CA 3.48Å; S37-E40 WeakPolarHBondContact O-CB 3.38Å; S37-E40 PolarHBondContact O-N 3.11Å; S37-A41 PolarHBondContact O-N 2.91Å | ||
| 38 | Y | 64 | Low | 71.9 | Confident | 187 Ų | 187 | 115.5 Ų | 115.5 | 73% | 0.733 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -50.1 | -31.1 | -179 | 177.4 | -98.5 | 0 | 0 | 0 | 113.4 | T36 L42 | T36-Y38 PolarHBondContact O-N 3.11Å; Y38-L42 HydrophobicContact CD1-CD1 4.49Å; Y38-L42 HydrophobicContact CE1-CD1 3.82Å; Y38-L42 PolarHBondContact O-N 3.25Å |
| 39 | E | 69.3 | Low | 71.4 | Confident | 152 Ų | 152 | 116.8 Ų | 116.8 | 71% | 0.71 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.2 | -37.6 | 173 | -87.2 | -84.1 | 151 | 0 | 0 | 113.4 | S37 A43 | S37-E39 PolarHBondContact O-N 2.86Å; E39-A43 PolarHBondContact O-N 3.31Å; E39-A43 VanDerWaalsContact O-N 3.17Å |
| 40 | E | 73 | Confident | 71.3 | Confident | 113 Ų | 113 | 116.5 Ų | 116.5 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.4 | -37.5 | -179 | -167.5 | 178.8 | -179.1 | 0 | 0 | 112 | S37 L42 A43 N44 | S37-E40 WeakPolarHBondContact O-CA 3.48Å; S37-E40 WeakPolarHBondContact O-CB 3.38Å; S37-E40 PolarHBondContact O-N 3.11Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.14Å; E40-A43 PolarHBondContact O-N 3.29Å; E40-N44 PolarHBondContact O-N 3.03Å |
| 41 | A | 75.8 | Confident | 71 | Confident | 56 Ų | 56 | 120.5 Ų | 120.5 | 46% | 0.463 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S37 A43 N44 Q45 | S37-A41 PolarHBondContact O-N 2.91Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-N44 PolarHBondContact O-N 2.89Å; A41-Q45 PolarHBondContact O-N 3.13Å |
| 42 | L | 78.3 | Confident | 70.7 | Confident | 62 Ų | 62 | 117 Ų | 117 | 33% | 0.325 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.3 | -34.6 | 176.9 | -127.9 | 129 | 0 | 0 | 0 | 112 | Y38 E40 R46 | Y38-L42 HydrophobicContact CD1-CD1 4.49Å; Y38-L42 HydrophobicContact CE1-CD1 3.82Å; Y38-L42 PolarHBondContact O-N 3.25Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.14Å; L42-R46 WeakPolarHBondContact O-CG 3.34Å; L42-R46 PolarHBondContact O-N 3.16Å |
| 43 | A | 80.6 | Confident | 70.2 | Confident | 58 Ų | 58 | 120.7 Ų | 120.7 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.7 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E39 E40 A41 R46 K47 | E39-A43 PolarHBondContact O-N 3.31Å; E39-A43 VanDerWaalsContact O-N 3.17Å; E40-A43 PolarHBondContact O-N 3.29Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A43-R46 PolarHBondContact O-N 3.14Å; A43-K47 PolarHBondContact O-N 3.35Å; A43-K47 VanDerWaalsContact O-N 3.09Å |
| 44 | N | 79.9 | Confident | 69.9 | Low | 97 Ų | 97 | 120.5 Ų | 120.5 | 52% | 0.519 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.7 | -39.4 | 179.2 | -111.1 | -9.9 | 0 | 0 | 0 | 112.4 | E40 A41 R46 K47 E48 | E40-N44 PolarHBondContact O-N 3.03Å; A41-N44 PolarHBondContact O-N 2.89Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.94Å; N44-K47 WeakPolarHBondContact O-CB 3.32Å; N44-K47 PolarHBondContact O-N 3.14Å; N44-K47 VanDerWaalsContact O-N 3.14Å; N44-E48 WeakPolarHBondContact O-CB 3.37Å; N44-E48 PolarHBondContact O-N 2.98Å |
| 45 | Q | 78.4 | Confident | 70 | Confident | 108 Ų | 108 | 119.6 Ų | 119.6 | 51% | 0.505 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.9 | -41.2 | 176.7 | -162.9 | -163.9 | 31.9 | 0 | 0 | 112 | A41 E48 M49 | A41-Q45 PolarHBondContact O-N 3.13Å; Q45-E48 PolarHBondContact O-N 2.82Å; Q45-M49 HydrophobicContact CG-CE 4.2Å; Q45-M49 WeakPolarHBondContact O-CG 3.36Å; Q45-M49 PolarHBondContact O-N 3.38Å |
| 46 | R | 80 | Confident | 69.4 | Low | 179 Ų | 179 | 120.6 Ų | 120.6 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -39.9 | 174.8 | -71.3 | 178.4 | 179.3 | 168.7 | 2.3 | 112.1 | L42 A43 N44 E48 A50 | L42-R46 WeakPolarHBondContact O-CG 3.34Å; L42-R46 PolarHBondContact O-N 3.16Å; A43-R46 PolarHBondContact O-N 3.14Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.94Å; R46-E48 VanDerWaalsContact C-N 3.32Å; R46-A50 PolarHBondContact O-N 2.79Å |
| 47 | K | 81.1 | Confident | 69 | Low | 124 Ų | 124 | 118.3 Ų | 118.3 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.3 | -35.1 | 177 | -166.7 | 178 | -176.8 | 179.9 | 0 | 111.9 | A43 N44 K51 | A43-K47 PolarHBondContact O-N 3.35Å; A43-K47 VanDerWaalsContact O-N 3.09Å; N44-K47 WeakPolarHBondContact O-CB 3.32Å; N44-K47 PolarHBondContact O-N 3.14Å; N44-K47 VanDerWaalsContact O-N 3.14Å; K47-K51 WeakPolarHBondContact O-CG 3.42Å; K47-K51 PolarHBondContact O-N 3.02Å |
| 48 | E | 78.6 | Confident | 68.2 | Low | 134 Ų | 134 | 122.3 Ų | 122.3 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.1 | -43.5 | 178.4 | -158.8 | -176.2 | 160.7 | 0 | 0 | 111.9 | N44 Q45 R46 A50 K51 T52 | N44-E48 WeakPolarHBondContact O-CB 3.37Å; N44-E48 PolarHBondContact O-N 2.98Å; Q45-E48 PolarHBondContact O-N 2.82Å; R46-E48 VanDerWaalsContact C-N 3.32Å; E48-A50 VanDerWaalsContact C-N 3.27Å; E48-A50 PolarHBondContact O-N 3.36Å; E48-K51 PolarHBondContact O-N 2.85Å; E48-K51 VanDerWaalsContact O-N 3.11Å; E48-T52 PolarHBondContact O-N 2.82Å |
| 49 | M | 73 | Confident | 67.4 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 60% | 0.596 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.3 | -32.4 | 174.3 | -68.9 | -155.3 | -154.2 | 0 | 0 | 113.1 | Q45 K51 T52 | Q45-M49 HydrophobicContact CG-CE 4.2Å; Q45-M49 WeakPolarHBondContact O-CG 3.36Å; Q45-M49 PolarHBondContact O-N 3.38Å; M49-K51 VanDerWaalsContact C-N 3.35Å; M49-T52 PolarHBondContact O-OG1 3.45Å; M49-T52 VanDerWaalsContact O-OG1 3.09Å |
| 50 | A | 75 | Confident | 66.2 | Low | 61 Ų | 61 | 124.6 Ų | 124.6 | 50% | 0.504 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69 | -33 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R46 E48 | R46-A50 PolarHBondContact O-N 2.79Å; E48-A50 VanDerWaalsContact C-N 3.27Å; E48-A50 PolarHBondContact O-N 3.36Å |
| 51 | K | 71 | Confident | 64.9 | Low | 143 Ų | 143 | 127.9 Ų | 127.9 | 62% | 0.622 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75 | -34.4 | 179.7 | -75.8 | 177.4 | 174 | -167.1 | 0 | 112.8 | K47 E48 M49 H53 H54 | K47-K51 WeakPolarHBondContact O-CG 3.42Å; K47-K51 PolarHBondContact O-N 3.02Å; E48-K51 PolarHBondContact O-N 2.85Å; E48-K51 VanDerWaalsContact O-N 3.11Å; M49-K51 VanDerWaalsContact C-N 3.35Å; K51-H53 VanDerWaalsContact C-N 3.31Å; K51-H53 PolarHBondContact O-N 2.91Å; K51-H54 PolarHBondContact O-N 3.1Å |
| 52 | T | 61.6 | Low | 63.3 | Low | 90 Ų | 90 | 134.7 Ų | 134.7 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.9 | -26.9 | 179.9 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | E48 M49 | E48-T52 PolarHBondContact O-N 2.82Å; M49-T52 PolarHBondContact O-OG1 3.45Å; M49-T52 VanDerWaalsContact O-OG1 3.09Å |
| 53 | H | 58.4 | Low | 61.6 | Low | 164 Ų | 164 | 140.4 Ų | 140.4 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.4 | -29 | 176.3 | -157 | -88 | 0 | 0 | 0 | 113.2 | K51 | K51-H53 VanDerWaalsContact C-N 3.31Å; K51-H53 PolarHBondContact O-N 2.91Å |
| 54 | H | 55.8 | Low | 59.7 | Low | 158 Ų | 158 | 147.1 Ų | 147.1 | 73% | 0.731 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -74 | -29 | 177.4 | -93.6 | -64.3 | 0 | 0 | 0 | 113.6 | K51 K56 G57 | K51-H54 PolarHBondContact O-N 3.1Å; H54-K56 PolarHBondContact O-N 3.03Å; H54-G57 PolarHBondContact O-N 2.92Å |
| 55 | Q | 54 | Low | 57.9 | Low | 158 Ų | 158 | 148.5 Ų | 148.5 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -79 | -17.9 | -175.3 | -143.1 | -175.3 | 75.1 | 0 | 0 | 113.7 | G57 | Q55-G57 VanDerWaalsContact C-N 3.26Å; Q55-G57 PolarHBondContact O-N 2.83Å |
| 56 | K | 47.1 | Very low | 56.1 | Low | 188 Ų | 188 | 149.9 Ų | 149.9 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -10.5 | 176.1 | -145.2 | 174.1 | -174.7 | 179 | 0 | 113.2 | H54 | H54-K56 PolarHBondContact O-N 3.03Š|
| 57 | G | 49.7 | Very low | 54.1 | Low | 56 Ų | 56 | 149.8 Ų | 149.8 | 58% | 0.577 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -30.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H54 Q55 | H54-G57 PolarHBondContact O-N 2.92Å; Q55-G57 VanDerWaalsContact C-N 3.26Å; Q55-G57 PolarHBondContact O-N 2.83Å |
| 58 | E | 46.8 | Very low | 52.1 | Low | 159 Ų | 159 | 152.8 Ų | 152.8 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -25.1 | -169.9 | -70.7 | -168.7 | 111.2 | 0 | 0 | 114.2 | K60 K61 | E58-K60 VanDerWaalsContact C-N 3.27Å; E58-K60 PolarHBondContact O-N 2.91Å; E58-K61 PolarHBondContact O-N 2.95Å |
| 59 | K | 48.6 | Very low | 49.9 | Very low | 190 Ų | 190 | 157.1 Ų | 157.1 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -12.9 | -176.9 | -136 | 173.8 | -175.1 | 177.7 | 0 | 114.2 | ||
| 60 | K | 43.8 | Very low | 48.1 | Very low | 198 Ų | 198 | 154.1 Ų | 154.1 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -2.7 | 179.1 | -135.5 | -178.3 | -176.7 | -178.6 | 0 | 114.5 | E58 | E58-K60 VanDerWaalsContact C-N 3.27Å; E58-K60 PolarHBondContact O-N 2.91Å |
| 61 | K | 46.4 | Very low | 46.4 | Very low | 181 Ų | 181 | 161.2 Ų | 161.2 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -95.3 | -12.5 | -178.1 | -159.2 | 174.4 | 178.3 | -177.2 | 0 | 114.4 | E58 | E58-K61 PolarHBondContact O-N 2.95Š|
| 62 | K | 41.7 | Very low | 44.6 | Very low | 199 Ų | 199 | 161.3 Ų | 161.3 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -100.2 | -1.3 | -170.2 | -145.7 | 177.4 | 179.5 | -177.8 | 0 | 116.3 | ||
| 63 | E | 41.5 | Very low | 43.4 | Very low | 183 Ų | 183 | 166.3 Ų | 166.3 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -107.1 | 12.2 | -175.2 | -145.9 | -174.9 | 150.3 | 0 | 0 | 114.6 | ||
| 64 | K | 41.6 | Very low | 42.1 | Very low | 199 Ų | 199 | 167.9 Ų | 167.9 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -131 | 29.9 | -176 | -77.9 | -161.6 | 174.8 | -170 | 0 | 116 | ||
| 65 | T | 42 | Very low | 41.2 | Very low | 125 Ų | 125 | 170.4 Ų | 170.4 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -109.3 | -2.4 | 179.7 | -49 | 0 | 0 | 0 | 0 | 114.8 | ||
| 66 | V | 39.8 | Very low | 40.2 | Very low | 137 Ų | 137 | 170.9 Ų | 170.9 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -125.7 | 82.5 | 177.2 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 67 | E | 38.2 | Very low | 39.9 | Very low | 177 Ų | 177 | 170.8 Ų | 170.8 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -177.4 | 137.2 | 139.2 | -103.1 | 179.5 | -179.7 | 0 | 0 | 110.6 | ||
| 68 | K | 39.5 | Very low | 39.3 | Very low | 188 Ų | 188 | 176.9 Ų | 176.9 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | trans | 75.3 | 79.4 | 168.1 | -67.8 | -179.9 | 174.5 | 171.8 | 0 | 117.9 | G70 | K68-G70 PolarHBondContact O-N 3.3Š| ||
| 69 | K | 32.9 | Very low | 39.3 | Very low | 225 Ų | 225 | 175.5 Ų | 175.5 | 98% | 0.978 | 84% | 0.838 | S | S | * | * | -71.8 | 102.7 | 128.9 | -161.1 | -178.7 | -173.1 | -177.4 | 0 | 106.9 | |||||
| 70 | G | 35.9 | Very low | 38.6 | Very low | 58 Ų | 58 | 173.2 Ų | 173.2 | 60% | 0.598 | 84% | 0.835 | S | S | * | * | trans | -177.1 | 67.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | K68 | K68-G70 PolarHBondContact O-N 3.3Š| ||
| 71 | K | 37.6 | Very low | 38.4 | Very low | 209 Ų | 209 | 167.4 Ų | 167.4 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | 65 | 111.7 | 156.7 | -67.8 | -173 | 175 | 178.8 | 0 | 120.2 | ||||
| 72 | T | 34.4 | Very low | 37.7 | Very low | 146 Ų | 146 | 167.5 Ų | 167.5 | 90% | 0.896 | 83% | 0.831 | S | S | * | * | trans | -57.1 | 133.5 | 156.7 | -9.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 73 | K | 36.7 | Very low | 37.8 | Very low | 195 Ų | 195 | 166 Ų | 166 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | -179.4 | 121.9 | 118.3 | -136.6 | 174.4 | 176.1 | 177.1 | 0 | 112.2 | |||||
| 74 | K | 31.2 | Very low | 37.7 | Very low | 197 Ų | 197 | 163.2 Ų | 163.2 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | 23.8 | 128.6 | 149.3 | -75.3 | -177.6 | 168.1 | -176 | 0 | 119.7 | ||||
| 75 | K | 36.2 | Very low | 37.2 | Very low | 211 Ų | 211 | 163 Ų | 163 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | -172.9 | 152.7 | 95.3 | -154.9 | 172.1 | 175.8 | -172.4 | 0 | 111 | |||||
| 76 | E | 33.2 | Very low | 37 | Very low | 167 Ų | 167 | 165.5 Ų | 165.5 | 78% | 0.78 | 83% | 0.833 | S | S | * | * | trans | -86.7 | 138.8 | -170.6 | 176.7 | -172.5 | -178.1 | 0 | 0 | 112.5 | ||||
| 77 | E | 41.1 | Very low | 36.6 | Very low | 186 Ų | 186 | 165.7 Ų | 165.7 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -162.9 | 132.7 | 148.6 | -147.7 | 173.8 | 134.5 | 0 | 0 | 111.6 | ||||
| 78 | K | 36.5 | Very low | 36.6 | Very low | 185 Ų | 185 | 165.1 Ų | 165.1 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -99.3 | 146 | 174 | -67.8 | 170.4 | 179.1 | 165.3 | 0 | 108.8 | ||||
| 79 | P | 46.5 | Very low | 36.4 | Very low | 130 Ų | 130 | 163.5 Ų | 163.5 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | trans | -134.9 | 152.2 | 132.6 | 19.5 | 1.3 | 0 | 0 | 0 | 114.4 | ||||
| 80 | N | 34.5 | Very low | 36.4 | Very low | 142 Ų | 142 | 158.7 Ų | 158.7 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | -89.5 | 133.1 | -172.7 | -173.1 | 14.2 | 0 | 0 | 0 | 110.1 | ||||
| 81 | G | 38.3 | Very low | 36.3 | Very low | 75 Ų | 75 | 162.3 Ų | 162.3 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -136.9 | 100.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 82 | K | 31.8 | Very low | 36.2 | Very low | 184 Ų | 184 | 159.3 Ų | 159.3 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -86.8 | 142.2 | 171.1 | -66.7 | 177.8 | 174.7 | -176.4 | 0 | 109.4 | ||||
| 83 | I | 44.3 | Very low | 36.3 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 86% | 0.862 | 82% | 0.818 | S | S | * | * | trans | -139.7 | 135.7 | 165.1 | -45 | 177.1 | 0 | 0 | 0 | 109.7 | ||||
| 84 | P | 39.6 | Very low | 36.1 | Very low | 123 Ų | 123 | 155.9 Ų | 155.9 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -98.9 | 169.7 | -148.8 | -9.9 | 32.3 | 0 | 0 | 0 | 118.5 | ||||
| 85 | E | 31.9 | Very low | 36.5 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -66.6 | 151.1 | 174.9 | -59.4 | -175.3 | 142.8 | 0 | 0 | 113.4 | ||||
| 86 | H | 37.7 | Very low | 36.2 | Very low | 179 Ų | 179 | 151.3 Ų | 151.3 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -122.8 | 112.5 | -178.7 | -151 | -67.5 | 0 | 0 | 0 | 109.8 | ||||
| 87 | D | 31.6 | Very low | 36.3 | Very low | 141 Ų | 141 | 153 Ų | 153 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -71.1 | 146.2 | 172.9 | -87.5 | -65.9 | 0 | 0 | 0 | 112 | ||||
| 88 | L | 38.1 | Very low | 35.7 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -131.3 | 102.8 | 170.6 | -80.1 | 170.5 | 0 | 0 | 0 | 108.5 | ||||
| 89 | D | 33.8 | Very low | 35.7 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -77.8 | 136.5 | 176 | -80.1 | -57 | 0 | 0 | 0 | 113 | ||||
| 90 | P | 33.5 | Very low | 35.1 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -100 | 118.3 | 170 | 33 | -27 | 0 | 0 | 0 | 112.4 | ||||
| 91 | N | 32.8 | Very low | 34.8 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -150.2 | 99.5 | 171.7 | -171.3 | -8.5 | 0 | 0 | 0 | 112 | ||||
| 92 | V | 37.2 | Very low | 34.7 | Very low | 146 Ų | 146 | 157.1 Ų | 157.1 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -147.2 | 106.1 | 150.4 | -175 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 93 | T | 35.2 | Very low | 34.6 | Very low | 112 Ų | 112 | 153.8 Ų | 153.8 | 69% | 0.687 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 140.6 | -178.4 | -65.4 | 0 | 0 | 0 | 0 | 113 | ||
| 94 | I | 34 | Very low | 34 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 117.1 | 177.6 | -63.4 | 174.1 | 0 | 0 | 0 | 109.8 | ||
| 95 | I | 38.5 | Very low | 33.9 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 80% | 0.795 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -90 | 117.8 | 172.2 | -61.4 | -175 | 0 | 0 | 0 | 110 | ||
| 96 | L | 30.1 | Very low | 33.9 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 124.4 | 178.1 | -162.3 | 148.3 | 0 | 0 | 0 | 109 | ||
| 97 | K | 35.6 | Very low | 33.8 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -108.2 | 123.9 | 179.6 | -116.5 | 166.7 | 169.6 | 173.5 | 0 | 109.8 | ||||
| 98 | E | 29.2 | Very low | 33.7 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78 | 156.3 | -169.7 | -134.2 | 156.8 | -178.2 | 0 | 0 | 113.6 | ||
| 99 | P | 35 | Very low | 33.6 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 126.9 | -169.5 | 7 | 14 | 0 | 0 | 0 | 113.5 | ||
| 100 | V | 34.9 | Very low | 33.6 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 122.8 | 173.2 | -180 | 0 | 0 | 0 | 0 | 110.4 | ||
| 101 | R | 28.2 | Very low | 33.5 | Very low | 234 Ų | 234 | 139.1 Ų | 139.1 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 137 | 168.2 | -45.6 | -168.7 | -153.4 | -157.2 | 9 | 108.9 | ||
| 102 | V | 35 | Very low | 33.5 | Very low | 137 Ų | 137 | 139 Ų | 139 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -168.3 | 142.5 | 145.7 | -100.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 103 | S | 31.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | 65.6 | 106.5 | 157.2 | -83.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 104 | A | 30.5 | Very low | 33.1 | Very low | 103 Ų | 103 | 141 Ų | 141 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -71.3 | 137.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 105 | V | 38.5 | Very low | 33.1 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -122.9 | 117.6 | 160.8 | -176.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 106 | A | 31 | Very low | 32.8 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -71.6 | 131.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 107 | V | 35.8 | Very low | 33 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -132.1 | 120.4 | 165.4 | -172.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 108 | A | 30.5 | Very low | 32.6 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 142.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 109 | P | 35.7 | Very low | 32.7 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 127.1 | 176.5 | 32.6 | -29.5 | 0 | 0 | 0 | 111.7 | ||
| 110 | T | 34.3 | Very low | 32.6 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 147.2 | 173.2 | 35.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 111 | S | 31.3 | Very low | 32.5 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63 | 144.1 | -161.6 | -172.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 112 | V | 32.6 | Very low | 32.8 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | -106.6 | 116.8 | 171 | -81 | 0 | 0 | 0 | 0 | 109.8 | S114 | V112-S114 PolarHBondContact O-N 2.93Š| ||
| 113 | H | 32 | Very low | 32.5 | Very low | 194 Ų | 194 | 123.7 Ų | 123.7 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -77.7 | 111 | 168.9 | -110.6 | -119.5 | 0 | 0 | 0 | 109.3 | ||||
| 114 | S | 31.1 | Very low | 32.7 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -105.7 | 116.2 | 166.6 | -67.6 | 0 | 0 | 0 | 0 | 108.4 | V112 | V112-S114 PolarHBondContact O-N 2.93Š| ||
| 115 | S | 33.9 | Very low | 32.9 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -83 | 145.8 | 178.3 | -161 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 116 | V | 33.4 | Very low | 32.5 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 66% | 0.655 | 80% | 0.796 | S | S | * | * | trans | -100.2 | 124.4 | -154.5 | -169.3 | 0 | 0 | 0 | 0 | 108.8 | H118 | V116-H118 WeakPolarHBondContact CG1-CD2 3.41Å; V116-H118 VanDerWaalsContact CG1-NE2 3.34Å; V116-H118 WeakPolarHBondContact CG1-NE2 3.4Å | ||
| 117 | G | 32.2 | Very low | 32.7 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -109.2 | 99.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 118 | H | 28.6 | Very low | 32.7 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 73% | 0.731 | 80% | 0.796 | S | S | * | * | trans | -87.5 | 136.8 | 167.5 | -77.6 | -116.6 | 0 | 0 | 0 | 109.8 | V116 | V116-H118 WeakPolarHBondContact CG1-CD2 3.41Å; V116-H118 VanDerWaalsContact CG1-NE2 3.34Å; V116-H118 WeakPolarHBondContact CG1-NE2 3.4Å | ||
| 119 | T | 31.8 | Very low | 32.8 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 178.2 | 116.3 | 128.6 | 28.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 120 | P | 32.9 | Very low | 32.7 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -98.4 | 128.9 | 169.9 | 33.8 | -25.5 | 0 | 0 | 0 | 110.3 | ||||
| 121 | I | 31.5 | Very low | 32.6 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -138.7 | 132.9 | 173.3 | -64.1 | -179.1 | 0 | 0 | 0 | 111.6 | ||||
| 122 | A | 34.3 | Very low | 32.6 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 69% | 0.694 | 82% | 0.816 | S | S | * | * | trans | 73.8 | 89.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 123 | T | 29.8 | Very low | 32.6 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -54 | 130 | 143.7 | -51.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 124 | V | 35 | Very low | 32.8 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -117.3 | 135.2 | 162.2 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 125 | P | 34.8 | Very low | 32.8 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 152.7 | -166 | 25.4 | -13.7 | 0 | 0 | 0 | 113.4 | ||
| 126 | A | 30.5 | Very low | 33 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 127 | M | 34.3 | Very low | 33.1 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -100 | 148.5 | 163.3 | -70.8 | -164.9 | 79.8 | 0 | 0 | 110.8 | ||
| 128 | P | 35.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 152.7 | -154.3 | -5.6 | 27 | 0 | 0 | 0 | 114.2 | E130 | P128-E130 PolarHBondContact O-N 2.88Š|
| 129 | Q | 32.5 | Very low | 33.7 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.7 | 170.9 | -70.6 | 171.8 | -65.5 | 0 | 0 | 111.9 | ||
| 130 | E | 34.6 | Very low | 33.9 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 124.3 | 163.2 | -81.2 | -168.1 | 113.1 | 0 | 0 | 110.7 | P128 | P128-E130 PolarHBondContact O-N 2.88Š|
| 131 | K | 32.2 | Very low | 33.9 | Very low | 201 Ų | 201 | 151.7 Ų | 151.7 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74 | 121.9 | 176.8 | -70.4 | -179.4 | 177.7 | 178.8 | 0 | 110.2 | ||
| 132 | L | 30.7 | Very low | 34.2 | Very low | 180 Ų | 180 | 152.8 Ų | 152.8 | 94% | 0.942 | 82% | 0.823 | S | S | * | * | trans | -90.6 | 108 | 158.7 | -73.2 | 170.3 | 0 | 0 | 0 | 108.7 | ||||
| 133 | A | 32.9 | Very low | 34.1 | Very low | 93 Ų | 93 | 155.9 Ų | 155.9 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -153.4 | 104.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 134 | S | 36.2 | Very low | 34.6 | Very low | 121 Ų | 121 | 157.4 Ų | 157.4 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -166.6 | 104 | 142.8 | 52 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 135 | S | 30.4 | Very low | 34.7 | Very low | 120 Ų | 120 | 160.6 Ų | 160.6 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -80.3 | 146.6 | 146.5 | -76 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 136 | P | 38.9 | Very low | 34.5 | Very low | 114 Ų | 114 | 162.1 Ų | 162.1 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | -156.9 | 150.7 | 102.2 | 31.3 | -9.4 | 0 | 0 | 0 | 118.5 | |||||
| 137 | K | 34.7 | Very low | 35.1 | Very low | 187 Ų | 187 | 161.5 Ų | 161.5 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | 68.1 | 109.6 | 139.2 | -85.6 | 175.2 | 169.8 | 168.1 | 0 | 121.7 | ||||
| 138 | D | 32.8 | Very low | 35.2 | Very low | 154 Ų | 154 | 160.7 Ų | 160.7 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | 28.5 | 110.4 | 119.8 | -67 | -63.4 | 0 | 0 | 0 | 119.5 | |||||
| 139 | R | 41.8 | Very low | 35.2 | Very low | 250 Ų | 250 | 161.5 Ų | 161.5 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | -117.9 | 86.1 | 150.6 | -79.5 | -166.3 | 170.6 | -162.1 | -0.7 | 111.4 | ||||
| 140 | K | 35.1 | Very low | 35.3 | Very low | 192 Ų | 192 | 158.8 Ų | 158.8 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | 17.2 | 108.7 | 131.5 | -163.3 | 171.6 | 179.1 | 177.1 | 0 | 117.9 | ||||
| 141 | K | 32.4 | Very low | 35.6 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 6.4 | 113 | 133.7 | -162.3 | 179.8 | -175.7 | -158.8 | 0 | 116.2 | E143 | K141-E143 WeakPolarHBondContact CE-OE2 3.27Å; K141-E143 IonicContact NZ-OE2 2.75Å; K141-E143 PolarHBondContact NZ-OE2 2.94Å | ||
| 142 | K | 38.5 | Very low | 35.6 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | trans | -122.8 | 90.9 | 159.1 | -166.1 | 174.6 | -177.8 | 179.7 | 0 | 109 | ||||
| 143 | E | 31.8 | Very low | 35.9 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | -63.2 | 127.9 | 152.9 | -86.1 | 175.4 | 78 | 0 | 0 | 108 | K141 | K141-E143 WeakPolarHBondContact CE-OE2 3.27Å; K141-E143 IonicContact NZ-OE2 2.75Å; K141-E143 PolarHBondContact NZ-OE2 2.94Å | ||
| 144 | K | 41.1 | Very low | 36 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -155 | 109.3 | 152.8 | -110.4 | -178.7 | -175 | -170.9 | 0 | 110.4 | ||||
| 145 | K | 37 | Very low | 35.9 | Very low | 193 Ų | 193 | 147 Ų | 147 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | 52.3 | 107.1 | 140.5 | -66.1 | -165.5 | 170.9 | -168 | 0 | 118.9 | A147 | K145-A147 PolarHBondContact O-N 2.89Š| ||
| 146 | V | 31.1 | Very low | 36.2 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -22.5 | 110.3 | 133.2 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 147 | A | 41.9 | Very low | 35.7 | Very low | 89 Ų | 89 | 150.5 Ų | 150.5 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -111.1 | 100.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | K145 V149 | K145-A147 PolarHBondContact O-N 2.89Å; A147-V149 PolarHBondContact O-N 2.84Å | ||
| 148 | K | 36.9 | Very low | 35.7 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | trans | -61.4 | 103.8 | 170.1 | 173.6 | 173.2 | 166.3 | -176.7 | 0 | 107.9 | E150 | K148-E150 WeakPolarHBondContact CE-OE1 3.4Å; K148-E150 HydrophobicContact CG-CG 4.16Å; K148-E150 IonicContact NZ-OE1 2.63Å; K148-E150 PolarHBondContact NZ-OE1 3.13Å | ||
| 149 | V | 35.3 | Very low | 36 | Very low | 134 Ų | 134 | 146 Ų | 146 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -98.4 | 105.2 | 166.8 | 176.6 | 0 | 0 | 0 | 0 | 106.4 | A147 P151 | A147-V149 PolarHBondContact O-N 2.84Å; V149-P151 WeakPolarHBondContact O-CD 3.43Å | ||
| 150 | E | 35.4 | Very low | 35.6 | Very low | 138 Ų | 138 | 141.1 Ų | 141.1 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | trans | -71 | 124.8 | 173 | -60.5 | -171.9 | 151.8 | 0 | 0 | 109 | K148 A152 | K148-E150 WeakPolarHBondContact CE-OE1 3.4Å; K148-E150 HydrophobicContact CG-CG 4.16Å; K148-E150 IonicContact NZ-OE1 2.63Å; K148-E150 PolarHBondContact NZ-OE1 3.13Å; E150-A152 PolarHBondContact O-N 3.12Å | ||
| 151 | P | 39.6 | Very low | 35.7 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -81.2 | 106.3 | 157.7 | 30.2 | -24.5 | 0 | 0 | 0 | 107.2 | V149 V153 | V149-P151 WeakPolarHBondContact O-CD 3.43Å; P151-V153 PolarHBondContact O-N 2.99Å | ||
| 152 | A | 33.7 | Very low | 35.7 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -59.3 | 105.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E150 | E150-A152 PolarHBondContact O-N 3.12Š| ||
| 153 | V | 37.1 | Very low | 35.7 | Very low | 135 Ų | 135 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -109.1 | 92.4 | 165 | -177.1 | 0 | 0 | 0 | 0 | 106.4 | P151 | P151-V153 PolarHBondContact O-N 2.99Š| ||
| 154 | S | 34.3 | Very low | 35.9 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -70.1 | 121.6 | 171.5 | 16.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 155 | S | 33.8 | Very low | 35.5 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 21.3 | 110 | 144.8 | 63 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 156 | I | 37.1 | Very low | 35.8 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -134.2 | 104.6 | 131.1 | -58.3 | -178.4 | 0 | 0 | 0 | 107.1 | ||||
| 157 | V | 29.4 | Very low | 36.1 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -98.7 | 121.1 | 163.3 | 168.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 158 | N | 34.8 | Very low | 35.7 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -167.2 | 148.9 | 141 | -136.5 | -16.6 | 0 | 0 | 0 | 114.7 | ||||
| 159 | S | 37.2 | Very low | 35.4 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 79.8 | 76 | 165.2 | -73.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 160 | I | 34.8 | Very low | 35.2 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | 4.3 | 115.6 | 116.3 | -54.2 | 177.9 | 0 | 0 | 0 | 115.2 | V162 | I160-V162 HydrophobicContact CG2-CG2 4.28Š| |||
| 161 | Q | 37.1 | Very low | 35.3 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -131.2 | 100.6 | 140.9 | -83.1 | -168.1 | 28.9 | 0 | 0 | 108.3 | ||||
| 162 | V | 31.8 | Very low | 34.9 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -95.5 | 116.7 | 165.1 | 170.2 | 0 | 0 | 0 | 0 | 105.7 | I160 | I160-V162 HydrophobicContact CG2-CG2 4.28Š| ||
| 163 | L | 39.6 | Very low | 35 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -117.9 | 127.1 | 160.2 | -82.3 | 169.8 | 0 | 0 | 0 | 108.7 | ||||
| 164 | A | 36 | Very low | 34.8 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -85.5 | 157.3 | -156.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 165 | S | 31.9 | Very low | 35 | Very low | 123 Ų | 123 | 142 Ų | 142 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -49.8 | 134.1 | 174.6 | -44.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 166 | K | 42.3 | Very low | 34.7 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -97.8 | 115.1 | 162.3 | -77.4 | -169.7 | 175.1 | -170.1 | 0 | 110.3 | ||||
| 167 | S | 37.5 | Very low | 34.4 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | 31.1 | 111.9 | 137 | 34 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 168 | A | 34.6 | Very low | 34.6 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | 94.2 | 114.9 | 75.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 169 | I | 31 | Very low | 34.2 | Very low | 165 Ų | 165 | 144 Ų | 144 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -81 | 137.8 | -178.8 | -60.8 | 149.6 | 0 | 0 | 0 | 108 | ||||
| 170 | L | 31.3 | Very low | 34.2 | Very low | 170 Ų | 170 | 146 Ų | 146 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | 176.3 | 118.6 | 147.7 | -97.5 | 163.5 | 0 | 0 | 0 | 108.6 | ||||
| 171 | E | 35.9 | Very low | 34.1 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | 168.9 | 134.8 | 113.4 | -156.7 | 170.4 | -171.2 | 0 | 0 | 110 | |||||
| 172 | A | 30.8 | Very low | 33.8 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | trans | -93.6 | 145.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 173 | T | 36.8 | Very low | 33.8 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | 158.8 | 124.4 | 124.3 | 43.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 174 | P | 33.7 | Very low | 33.7 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -94.1 | 139.7 | -179.5 | 34 | -30 | 0 | 0 | 0 | 112.3 | ||||
| 175 | K | 37.1 | Very low | 33.4 | Very low | 213 Ų | 213 | 140.2 Ų | 140.2 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | trans | -107.7 | 125.8 | 165.1 | -87.9 | -175.1 | 171.7 | -176.9 | 0 | 110.2 | ||||
| 176 | E | 28 | Very low | 33.2 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -58.5 | 138.8 | 176.2 | -79.1 | -150.5 | 114.9 | 0 | 0 | 114 | ||||
| 177 | V | 31.8 | Very low | 32.7 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -139.8 | 135.6 | 144 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 178 | P | 31.9 | Very low | 32.3 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 66% | 0.656 | 81% | 0.811 | S | S | * | * | trans | -92.7 | 143.4 | -167.4 | 4.1 | 17.3 | 0 | 0 | 0 | 113.8 | ||||
| 179 | M | 28.3 | Very low | 32.1 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 89% | 0.892 | 81% | 0.81 | S | S | * | * | trans | 35.9 | 110.9 | 146.1 | -69.3 | -173.8 | 166.7 | 0 | 0 | 120.1 | ||||
| 180 | V | 36.9 | Very low | 32.1 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | -138.3 | 111 | 117.4 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | V182 | V180-V182 PolarHBondContact O-N 2.82Š| |||
| 181 | A | 32.5 | Very low | 32.5 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -72.5 | 106.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 182 | V | 31.2 | Very low | 32.9 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 116.9 | 152.8 | -176.6 | 0 | 0 | 0 | 0 | 106.2 | V180 P184 | V180-V182 PolarHBondContact O-N 2.82Å; V182-P184 WeakPolarHBondContact O-CD 3.42Å |
| 183 | P | 30.4 | Very low | 33.8 | Very low | 106 Ų | 106 | 125 Ų | 125 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 124.3 | -179.9 | 23 | -31.2 | 0 | 0 | 0 | 109 | V185 | P183-V185 PolarHBondContact O-N 3.11Å; P183-V185 VanDerWaalsContact O-N 3.12Å |
| 184 | P | 37.8 | Very low | 34.7 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 120.6 | 173.3 | 26.5 | -30.9 | 0 | 0 | 0 | 107.1 | V182 G186 | V182-P184 WeakPolarHBondContact O-CD 3.42Å; P184-G186 PolarHBondContact O-N 2.68Å |
| 185 | V | 29 | Very low | 35.8 | Very low | 145 Ų | 145 | 119.8 Ų | 119.8 | 88% | 0.879 | 74% | 0.736 | S | S | * | * | trans | -47.7 | 107.9 | 166.6 | -85.4 | 0 | 0 | 0 | 0 | 107.5 | P183 S187 | P183-V185 PolarHBondContact O-N 3.11Å; P183-V185 VanDerWaalsContact O-N 3.12Å; V185-S187 PolarHBondContact O-N 3.19Å | ||
| 186 | G | 27.9 | Very low | 37 | Very low | 61 Ų | 61 | 111.3 Ų | 111.3 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | trans | -50.9 | 126.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P184 K188 | P184-G186 PolarHBondContact O-N 2.68Å; G186-K188 VanDerWaalsContact C-N 3.28Å; G186-K188 PolarHBondContact O-N 2.97Å | ||
| 187 | S | 31.9 | Very low | 38.3 | Very low | 120 Ų | 120 | 110.6 Ų | 110.6 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | trans | -48.1 | 90.3 | 170.9 | -40.9 | 0 | 0 | 0 | 0 | 109.6 | V185 A189 | V185-S187 PolarHBondContact O-N 3.19Å; S187-A189 PolarHBondContact O-N 2.79Å | ||
| 188 | K | 28.7 | Very low | 39.3 | Very low | 196 Ų | 196 | 105.5 Ų | 105.5 | 85% | 0.852 | 68% | 0.676 | S | S | * | * | trans | -69.9 | 92.5 | 166.5 | -72 | -83.9 | -172.8 | 165.1 | 0 | 104.9 | G186 S190 | G186-K188 VanDerWaalsContact C-N 3.28Å; G186-K188 PolarHBondContact O-N 2.97Å; K188-S190 VanDerWaalsContact C-N 3.26Å; K188-S190 PolarHBondContact O-N 2.9Å | ||
| 189 | A | 32.1 | Very low | 40.3 | Very low | 99 Ų | 99 | 109.3 Ų | 109.3 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -54.2 | 94.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | S187 S191 | S187-A189 PolarHBondContact O-N 2.79Å; A189-S191 PolarHBondContact O-N 2.87Å; A189-S191 VanDerWaalsContact O-N 3.1Å | ||
| 190 | S | 30.4 | Very low | 41 | Very low | 96 Ų | 96 | 109.3 Ų | 109.3 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | trans | -71.9 | 97.2 | 171.7 | 54.7 | 0 | 0 | 0 | 0 | 106.8 | K188 | K188-S190 VanDerWaalsContact C-N 3.26Å; K188-S190 PolarHBondContact O-N 2.9Å | ||
| 191 | S | 40.5 | Very low | 41.5 | Very low | 58 Ų | 58 | 104.4 Ų | 104.4 | 41% | 0.406 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -60 | 137 | 168 | 52.1 | 0 | 0 | 0 | 0 | 109.1 | A189 | A189-S191 PolarHBondContact O-N 2.87Å; A189-S191 VanDerWaalsContact O-N 3.1Å |
| 192 | P | 44.1 | Very low | 42.5 | Very low | 119 Ų | 119 | 108.9 Ų | 108.9 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 137.7 | -170.2 | 22.1 | -32.3 | 0 | 0 | 0 | 112.6 | T194 | P192-T194 PolarHBondContact O-N 2.79Š|
| 193 | A | 49 | Very low | 43.6 | Very low | 66 Ų | 66 | 105 Ų | 105 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 128.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S195 | A193-S195 PolarHBondContact O-N 3.44Š|
| 194 | T | 56.6 | Low | 45.2 | Very low | 68 Ų | 68 | 101.5 Ų | 101.5 | 42% | 0.417 | 63% | 0.625 | S | S | . | * | trans | -90.5 | 103.6 | 175.4 | 45.8 | 0 | 0 | 0 | 0 | 108.8 | P192 Q215 | P192-T194 PolarHBondContact O-N 2.79Å; T194-Q215 PolarHBondContact O-N 3.08Å | ||
| 195 | S | 56.1 | Low | 46.6 | Very low | 92 Ų | 92 | 100.8 Ų | 100.8 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.5 | 173.4 | 66 | 0 | 0 | 0 | 0 | 110.3 | A193 Q215 | A193-S195 PolarHBondContact O-N 3.44Å; S195-Q215 WeakPolarHBondContact CA-O 3.32Å |
| 196 | S | 61.1 | Low | 48.4 | Very low | 35 Ų | 35 | 95 Ų | 95 | 25% | 0.245 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114 | 132.1 | 170 | 83.7 | 0 | 0 | 0 | 0 | 110.6 | A204 Q215 N216 Q217 | S196-A204 VanDerWaalsContact OG-CB 3.27Å; S196-A204 WeakPolarHBondContact OG-CB 3.41Å; S196-Q215 PolarHBondContact N-O 3.29Å; S196-N216 PolarHBondContact OG-OD1 3.2Å; S196-Q217 PolarHBondContact O-N 3Å; S196-Q217 VanDerWaalsContact O-N 3.13Å |
| 197 | Q | 56.2 | Low | 50.3 | Low | 163 Ų | 163 | 98.7 Ų | 98.7 | 76% | 0.762 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.3 | 173 | -91.5 | -173.5 | -14.4 | 0 | 0 | 109.7 | Q217 | Q197-Q217 HydrophobicContact CG-CB 4.25Å |
| 198 | G | 52 | Low | 51.7 | Low | 32 Ų | 32 | 94.2 Ų | 94.2 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q217 | G198-Q217 PolarHBondContact N-O 2.9Å |
| 199 | K | 52.6 | Low | 53.1 | Low | 180 Ų | 180 | 93 Ų | 93 | 78% | 0.783 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -72.6 | -33.7 | 170.5 | -74.3 | -176.2 | -178 | 175.2 | 0 | 111.9 | ||
| 200 | K | 44.3 | Very low | 54.2 | Low | 181 Ų | 181 | 95.9 Ų | 95.9 | 79% | 0.787 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -156.4 | 105.8 | 171.7 | -85.8 | 179.7 | 175 | 179.1 | 0 | 105.5 | ||
| 201 | G | 48 | Very low | 55.2 | Low | 40 Ų | 40 | 92.7 Ų | 92.7 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | trans | -140.2 | 126.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G203 | G201-G203 PolarHBondContact O-N 3.44Š| ||
| 202 | Q | 52.7 | Low | 56 | Low | 190 Ų | 190 | 95.8 Ų | 95.8 | 89% | 0.888 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -62.5 | 123.7 | 164 | -73.1 | 172.6 | 0.6 | 0 | 0 | 107.7 | ||
| 203 | G | 54.9 | Low | 56.6 | Low | 40 Ų | 40 | 91.4 Ų | 91.4 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | trans | 46.1 | 74.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | G201 Q205 E222 G223 | G201-G203 PolarHBondContact O-N 3.44Å; G203-Q205 PolarHBondContact O-N 3.11Å; G203-E222 WeakPolarHBondContact CA-O 3.23Å; G203-E222 PolarHBondContact N-O 2.92Å; G203-E222 VanDerWaalsContact N-O 3.08Å; G203-G223 WeakPolarHBondContact CA-O 3.05Å | ||
| 204 | A | 63.6 | Low | 57.4 | Low | 34 Ų | 34 | 88.8 Ų | 88.8 | 28% | 0.281 | 48% | 0.48 | S | S | . | . | trans | -66.1 | 115 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S196 A224 Q225 | S196-A204 VanDerWaalsContact OG-CB 3.27Å; S196-A204 WeakPolarHBondContact OG-CB 3.41Å; A204-A224 WeakPolarHBondContact O-CA 3.32Å; A204-Q225 PolarHBondContact O-N 2.93Å | ||
| 205 | Q | 65.9 | Low | 58 | Low | 102 Ų | 102 | 88.8 Ų | 88.8 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.1 | 177.3 | -171.7 | -179.3 | -9 | 0 | 0 | 110.8 | G203 Q225 | G203-Q205 PolarHBondContact O-N 3.11Å; Q205-Q225 CarbonylContact C-O 3.55Å; Q205-Q225 VanDerWaalsContact CA-O 3.27Å; Q205-Q225 WeakPolarHBondContact CA-O 3.3Å; Q205-Q225 HydrophobicContact CG-CB 4.38Å |
| 206 | N | 67.8 | Low | 58.5 | Low | 24 Ų | 24 | 84.7 Ų | 84.7 | 13% | 0.128 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.5 | 172.5 | -58.4 | -42.2 | 0 | 0 | 0 | 110.5 | A214 N216 Q225 N226 Q227 | N206-A214 HydrophobicContact CB-CB 3.76Å; N206-N216 PolarHBondContact ND2-OD1 3.02Å; N206-Q225 PolarHBondContact N-O 2.87Å; N206-N226 WeakPolarHBondContact CB-OD1 3.45Å; N206-N226 PolarHBondContact ND2-OD1 2.93Å; N206-N226 WeakPolarHBondContact O-CA 3.45Å; N206-Q227 PolarHBondContact O-N 2.9Å |
| 207 | Q | 67.2 | Low | 58.8 | Low | 137 Ų | 137 | 86.1 Ų | 86.1 | 64% | 0.64 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 118.4 | 172.2 | -62.3 | -171.6 | 25.3 | 0 | 0 | 110.4 | Q227 | Q207-Q227 WeakPolarHBondContact CA-O 3.34Å; Q207-Q227 HydrophobicContact CG-CB 4.35Å |
| 208 | A | 61.4 | Low | 59 | Low | 26 Ų | 26 | 79.5 Ų | 79.5 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q227 A228 K229 | A208-Q227 PolarHBondContact N-O 2.89Å; A208-A228 WeakPolarHBondContact O-CA 3.29Å; A208-K229 PolarHBondContact O-N 3.42Å; A208-K229 VanDerWaalsContact O-N 3.13Å |
| 209 | K | 59.5 | Low | 59.3 | Low | 172 Ų | 172 | 84.7 Ų | 84.7 | 75% | 0.748 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -79.7 | -39 | 175.5 | -72.7 | -179.3 | -176.4 | 173.1 | 0 | 111.9 | ||
| 210 | K | 54.3 | Low | 59.4 | Low | 159 Ų | 159 | 81.9 Ų | 81.9 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -155.6 | 137.7 | 173 | -81.2 | -178.6 | 179.7 | 175.9 | 0 | 106.6 | K230 | K210-K230 WeakPolarHBondContact CA-O 3.38Å; K210-K230 HydrophobicContact CG-CB 4.41Å |
| 211 | G | 52.2 | Low | 59.8 | Low | 28 Ų | 28 | 74.6 Ų | 74.6 | 29% | 0.289 | 40% | 0.402 | S | S | . | . | trans | 156.2 | 164.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G231 | G211-G231 WeakPolarHBondContact O-CA 3.38Š| ||
| 212 | E | 55.8 | Low | 60.3 | Low | 124 Ų | 124 | 79 Ų | 79 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -63.4 | 151.5 | 167.2 | -71.3 | 174.3 | 159.6 | 0 | 0 | 110.5 | ||
| 213 | G | 57.6 | Low | 60.6 | Low | 26 Ų | 26 | 71.5 Ų | 71.5 | 27% | 0.268 | 39% | 0.386 | S | S | . | . | trans | -41.7 | 141.9 | -161.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | E232 G233 | G213-E232 WeakPolarHBondContact CA-O 3.47Å; G213-E232 PolarHBondContact N-O 3.38Å; G213-G233 CarbonylContact C-O 3.6Å; G213-G233 WeakPolarHBondContact CA-O 3.27Å | ||
| 214 | A | 65.6 | Low | 61.2 | Low | 11 Ų | 11 | 70.8 Ų | 70.8 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | trans | -83.5 | 126 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N206 N226 Q235 | N206-A214 HydrophobicContact CB-CB 3.76Å; A214-N226 HydrophobicContact CB-CB 4.31Å; A214-Q235 PolarHBondContact O-N 3.18Å | ||
| 215 | Q | 68.5 | Low | 61.5 | Low | 69 Ų | 69 | 71.2 Ų | 71.2 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.3 | -179.5 | -167.8 | -177.1 | -87.8 | 0 | 0 | 111.5 | T194 S195 S196 Q217 Q235 | T194-Q215 PolarHBondContact O-N 3.08Å; S195-Q215 WeakPolarHBondContact CA-O 3.32Å; S196-Q215 PolarHBondContact N-O 3.29Å; Q215-Q217 HydrophobicContact CG-CG 4.33Å; Q215-Q235 VanDerWaalsContact CA-O 3.31Å; Q215-Q235 WeakPolarHBondContact CA-O 3.29Å; Q215-Q235 HydrophobicContact CG-CB 4.24Å |
| 216 | N | 68 | Low | 61.8 | Low | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.032 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.8 | 171.6 | -59.9 | -48.7 | 0 | 0 | 0 | 110.6 | S196 N206 A224 N226 Q235 N236 Q237 | S196-N216 PolarHBondContact OG-OD1 3.2Å; N206-N216 PolarHBondContact ND2-OD1 3.02Å; N216-A224 HydrophobicContact CB-CB 4.14Å; N216-N226 PolarHBondContact ND2-ND2 3.15Å; N216-N226 PolarHBondContact ND2-OD1 2.92Å; N216-Q235 PolarHBondContact N-O 3.41Å; N216-N236 WeakPolarHBondContact CB-OD1 2.99Å; N216-N236 PolarHBondContact ND2-OD1 2.81Å; N216-N236 WeakPolarHBondContact O-CA 3.39Å; N216-Q237 PolarHBondContact O-N 3.21Å |
| 217 | Q | 67.5 | Low | 61.8 | Low | 64 Ų | 64 | 68.4 Ų | 68.4 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.9 | 173.3 | -61.2 | -169.4 | 7.9 | 0 | 0 | 111.4 | S196 Q197 G198 Q215 Q237 | S196-Q217 PolarHBondContact O-N 3Å; S196-Q217 VanDerWaalsContact O-N 3.13Å; Q197-Q217 HydrophobicContact CG-CB 4.25Å; G198-Q217 PolarHBondContact N-O 2.9Å; Q215-Q217 HydrophobicContact CG-CG 4.33Å; Q217-Q237 WeakPolarHBondContact CA-O 3.33Å; Q217-Q237 HydrophobicContact CG-CB 4.33Å |
| 218 | G | 59.6 | Low | 61.7 | Low | 24 Ų | 24 | 63.3 Ų | 63.3 | 25% | 0.247 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q237 A238 K239 | G218-Q237 PolarHBondContact N-O 3.41Å; G218-A238 WeakPolarHBondContact O-CA 3.44Å; G218-K239 PolarHBondContact O-N 2.9Å; G218-K239 VanDerWaalsContact O-N 3.12Å |
| 219 | K | 58 | Low | 61.8 | Low | 141 Ų | 141 | 67.6 Ų | 67.6 | 61% | 0.613 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -77 | -40.6 | 172.1 | -73 | -173.9 | -178.8 | -178.5 | 0 | 112 | K240 | K219-K240 PolarHBondContact O-N 2.84Š|
| 220 | K | 55 | Low | 61.7 | Low | 122 Ų | 122 | 64.9 Ų | 64.9 | 53% | 0.53 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -141.4 | 122.6 | 170.3 | -85.8 | -173.8 | 175.1 | -172.1 | 0 | 107.2 | K240 | K220-K240 WeakPolarHBondContact CA-O 3.45Å; K220-K240 HydrophobicContact CG-CB 4.28Å |
| 221 | G | 53.5 | Low | 61.8 | Low | 27 Ų | 27 | 58.6 Ų | 58.6 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | trans | -160.2 | 133.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | K240 G241 | G221-K240 PolarHBondContact N-O 2.9Å; G221-G241 WeakPolarHBondContact O-CA 3.28Å | ||
| 222 | E | 57.4 | Low | 62.2 | Low | 132 Ų | 132 | 63.1 Ų | 63.1 | 62% | 0.617 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -89.1 | 133.2 | 164.7 | -73.6 | 165.6 | -169 | 0 | 0 | 107.8 | G203 | G203-E222 WeakPolarHBondContact CA-O 3.23Å; G203-E222 PolarHBondContact N-O 2.92Å; G203-E222 VanDerWaalsContact N-O 3.08Å |
| 223 | G | 59.2 | Low | 62.5 | Low | 34 Ų | 34 | 58.4 Ų | 58.4 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | trans | 74.6 | 44.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | G203 Q225 E242 | G203-G223 WeakPolarHBondContact CA-O 3.05Å; G223-Q225 PolarHBondContact O-N 2.91Å; G223-E242 PolarHBondContact N-O 2.87Å | ||
| 224 | A | 67.8 | Low | 63 | Low | 24 Ų | 24 | 58 Ų | 58 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | trans | -67.7 | 120.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | A204 N216 A244 Q245 | A204-A224 WeakPolarHBondContact O-CA 3.32Å; N216-A224 HydrophobicContact CB-CB 4.14Å; A224-A244 CarbonylContact O-C 3.58Å; A224-A244 WeakPolarHBondContact O-CA 3.47Å; A224-Q245 PolarHBondContact O-N 3.43Å | ||
| 225 | Q | 70.3 | Confident | 63.4 | Low | 43 Ų | 43 | 60.3 Ų | 60.3 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.9 | -176.3 | -170.8 | 178.7 | 5.7 | 0 | 0 | 112.1 | A204 Q205 N206 G223 Q227 Q245 | A204-Q225 PolarHBondContact O-N 2.93Å; Q205-Q225 CarbonylContact C-O 3.55Å; Q205-Q225 VanDerWaalsContact CA-O 3.27Å; Q205-Q225 WeakPolarHBondContact CA-O 3.3Å; Q205-Q225 HydrophobicContact CG-CB 4.38Å; N206-Q225 PolarHBondContact N-O 2.87Å; G223-Q225 PolarHBondContact O-N 2.91Å; Q225-Q227 HydrophobicContact CG-CG 4.44Å; Q225-Q245 CarbonylContact C-O 3.59Å; Q225-Q245 VanDerWaalsContact CA-O 3.27Å; Q225-Q245 WeakPolarHBondContact CA-O 3.31Å; Q225-Q245 HydrophobicContact CG-CB 4.21Å |
| 226 | N | 70.8 | Confident | 63.6 | Low | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.3 | 170.5 | -60.8 | -46.4 | 0 | 0 | 0 | 110.6 | N206 A214 N216 A234 N236 Q245 N246 Q247 | N206-N226 WeakPolarHBondContact CB-OD1 3.45Å; N206-N226 PolarHBondContact ND2-OD1 2.93Å; N206-N226 WeakPolarHBondContact O-CA 3.45Å; A214-N226 HydrophobicContact CB-CB 4.31Å; N216-N226 PolarHBondContact ND2-ND2 3.15Å; N216-N226 PolarHBondContact ND2-OD1 2.92Å; N226-A234 HydrophobicContact CB-CB 3.97Å; N226-N236 PolarHBondContact ND2-OD1 3.33Å; N226-Q245 PolarHBondContact N-O 3.03Å; N226-N246 WeakPolarHBondContact CB-OD1 2.93Å; N226-N246 PolarHBondContact ND2-OD1 3.38Å; N226-N246 VanDerWaalsContact ND2-OD1 3.07Å; N226-N246 CarbonylContact O-C 3.44Å; N226-N246 WeakPolarHBondContact O-CA 3.26Å; N226-Q247 PolarHBondContact O-N 2.92Å |
| 227 | Q | 69.8 | Low | 63.7 | Low | 66 Ų | 66 | 60.1 Ų | 60.1 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.3 | 170.9 | -58.8 | -173.3 | 18.5 | 0 | 0 | 110.8 | N206 Q207 A208 Q225 Q247 | N206-Q227 PolarHBondContact O-N 2.9Å; Q207-Q227 WeakPolarHBondContact CA-O 3.34Å; Q207-Q227 HydrophobicContact CG-CB 4.35Å; A208-Q227 PolarHBondContact N-O 2.89Å; Q225-Q227 HydrophobicContact CG-CG 4.44Å; Q227-Q247 CarbonylContact C-O 3.58Å; Q227-Q247 WeakPolarHBondContact CA-O 3.33Å; Q227-Q247 HydrophobicContact CG-CB 4.36Å |
| 228 | A | 64 | Low | 63.6 | Low | 30 Ų | 30 | 58.4 Ų | 58.4 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A208 Q247 G248 K249 | A208-A228 WeakPolarHBondContact O-CA 3.29Å; A228-Q247 PolarHBondContact N-O 3.27Å; A228-G248 WeakPolarHBondContact O-CA 3.24Å; A228-K249 PolarHBondContact O-N 2.83Å; A228-K249 VanDerWaalsContact O-N 3.1Å |
| 229 | K | 62.5 | Low | 63.8 | Low | 116 Ų | 116 | 63.4 Ų | 63.4 | 50% | 0.504 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -80.4 | -37.5 | 172.6 | -72.3 | -177.7 | -175.3 | 178.6 | 0 | 112 | A208 K249 K250 | A208-K229 PolarHBondContact O-N 3.42Å; A208-K229 VanDerWaalsContact O-N 3.13Å; K229-K249 HydrophobicContact CG-CD 4.48Å; K229-K249 WeakPolarHBondContact O-CB 3.35Å; K229-K250 PolarHBondContact O-N 3.14Å |
| 230 | K | 58.4 | Low | 63.9 | Low | 115 Ų | 115 | 61.8 Ų | 61.8 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -154.2 | 130 | 175.7 | -107.2 | -173.3 | 172.4 | -170.3 | 0 | 108.2 | K210 K250 | K210-K230 WeakPolarHBondContact CA-O 3.38Å; K210-K230 HydrophobicContact CG-CB 4.41Å; K230-K250 VanDerWaalsContact CA-O 3.32Å; K230-K250 WeakPolarHBondContact CA-O 2.99Å; K230-K250 HydrophobicContact CG-CB 4.06Å |
| 231 | G | 56.8 | Low | 64.1 | Low | 27 Ų | 27 | 56.7 Ų | 56.7 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | 166.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G211 K250 G251 | G211-G231 WeakPolarHBondContact O-CA 3.38Å; G231-K250 PolarHBondContact N-O 2.71Å; G231-G251 WeakPolarHBondContact O-CA 3.34Å |
| 232 | E | 59.3 | Low | 64.4 | Low | 123 Ų | 123 | 60.1 Ų | 60.1 | 58% | 0.575 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.4 | 170.8 | -69.7 | 171.3 | -165.3 | 0 | 0 | 109.1 | G213 | G213-E232 WeakPolarHBondContact CA-O 3.47Å; G213-E232 PolarHBondContact N-O 3.38Å |
| 233 | G | 61.9 | Low | 64.7 | Low | 24 Ų | 24 | 55 Ų | 55 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77 | 81.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | G213 E252 G253 | G213-G233 CarbonylContact C-O 3.6Å; G213-G233 WeakPolarHBondContact CA-O 3.27Å; G233-E252 PolarHBondContact N-O 3.49Å; G233-G253 CarbonylContact C-O 3.56Å; G233-G253 WeakPolarHBondContact CA-O 3.38Å; G233-G253 PolarHBondContact N-O 2.97Å |
| 234 | A | 70 | Confident | 65.3 | Low | 18 Ų | 18 | 54.3 Ų | 54.3 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 119.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110 | N226 N246 G253 A254 Q255 | N226-A234 HydrophobicContact CB-CB 3.97Å; A234-N246 HydrophobicContact CB-CB 4.07Å; A234-G253 PolarHBondContact N-O 2.98Å; A234-A254 WeakPolarHBondContact O-CA 3.38Å; A234-Q255 PolarHBondContact O-N 3.44Å |
| 235 | Q | 72.8 | Confident | 65.6 | Low | 60 Ų | 60 | 56 Ų | 56 | 28% | 0.28 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.2 | -177.2 | -63.5 | -164.3 | -7 | 0 | 0 | 112.8 | A214 Q215 N216 Q255 | A214-Q235 PolarHBondContact O-N 3.18Å; Q215-Q235 VanDerWaalsContact CA-O 3.31Å; Q215-Q235 WeakPolarHBondContact CA-O 3.29Å; Q215-Q235 HydrophobicContact CG-CB 4.24Å; N216-Q235 PolarHBondContact N-O 3.41Å; Q235-Q255 CarbonylContact C-O 3.57Å; Q235-Q255 VanDerWaalsContact CA-O 3.32Å; Q235-Q255 WeakPolarHBondContact CA-O 3.35Å; Q235-Q255 HydrophobicContact CG-CB 4.23Å |
| 236 | N | 72.4 | Confident | 65.8 | Low | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.6 | 170.6 | -60.3 | -50.1 | 0 | 0 | 0 | 110.4 | N216 N226 A244 N246 Q255 N256 Q257 | N216-N236 WeakPolarHBondContact CB-OD1 2.99Å; N216-N236 PolarHBondContact ND2-OD1 2.81Å; N216-N236 WeakPolarHBondContact O-CA 3.39Å; N226-N236 PolarHBondContact ND2-OD1 3.33Å; N236-A244 HydrophobicContact CB-CB 3.8Å; N236-N246 PolarHBondContact ND2-OD1 2.88Å; N236-Q255 PolarHBondContact N-O 3.43Å; N236-N256 WeakPolarHBondContact CB-OD1 3.25Å; N236-N256 PolarHBondContact ND2-OD1 3.33Å; N236-N256 CarbonylContact O-C 3.52Å; N236-N256 WeakPolarHBondContact O-CA 3.26Å; N236-Q257 PolarHBondContact O-N 3.17Å |
| 237 | Q | 71.5 | Confident | 65.8 | Low | 65 Ų | 65 | 57.3 Ų | 57.3 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.2 | 174.6 | -56.7 | -172.5 | 19.8 | 0 | 0 | 111.4 | N216 Q217 G218 Q257 | N216-Q237 PolarHBondContact O-N 3.21Å; Q217-Q237 WeakPolarHBondContact CA-O 3.33Å; Q217-Q237 HydrophobicContact CG-CB 4.33Å; G218-Q237 PolarHBondContact N-O 3.41Å; Q237-Q257 WeakPolarHBondContact CA-O 3.38Å; Q237-Q257 HydrophobicContact CG-CB 4.28Å |
| 238 | A | 65 | Low | 65.7 | Low | 28 Ų | 28 | 55.2 Ų | 55.2 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | G218 Q257 A258 K259 | G218-A238 WeakPolarHBondContact O-CA 3.44Å; A238-Q257 PolarHBondContact N-O 2.83Å; A238-A258 WeakPolarHBondContact O-CA 3.35Å; A238-K259 PolarHBondContact O-N 2.82Å |
| 239 | K | 63.2 | Low | 65.7 | Low | 130 Ų | 130 | 59 Ų | 59 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -79.5 | -38.8 | 173.1 | -171.5 | 174.8 | -178.4 | -178.4 | 0 | 111.9 | G218 K259 K260 | G218-K239 PolarHBondContact O-N 2.9Å; G218-K239 VanDerWaalsContact O-N 3.12Å; K239-K259 HydrophobicContact CG-CD 4.07Å; K239-K259 WeakPolarHBondContact O-CB 3.24Å; K239-K260 PolarHBondContact O-N 2.99Å |
| 240 | K | 60.2 | Low | 65.7 | Low | 106 Ų | 106 | 58.7 Ų | 58.7 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -139.1 | 127.9 | 164.6 | -83.4 | -176 | 177.9 | -177 | 0 | 107.1 | K219 K220 G221 K260 | K219-K240 PolarHBondContact O-N 2.84Å; K220-K240 WeakPolarHBondContact CA-O 3.45Å; K220-K240 HydrophobicContact CG-CB 4.28Å; G221-K240 PolarHBondContact N-O 2.9Å; K240-K260 VanDerWaalsContact CA-O 3.31Å; K240-K260 WeakPolarHBondContact CA-O 2.92Å; K240-K260 HydrophobicContact CG-CB 4.27Å |
| 241 | G | 58.3 | Low | 65.8 | Low | 15 Ų | 15 | 54.8 Ų | 54.8 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | trans | -175.7 | 150.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G221 K260 G261 | G221-G241 WeakPolarHBondContact O-CA 3.28Å; G241-K260 PolarHBondContact N-O 3.11Å; G241-K260 VanDerWaalsContact N-O 3.12Å; G241-G261 WeakPolarHBondContact O-CA 2.98Å | ||
| 242 | E | 60.9 | Low | 66.1 | Low | 99 Ų | 99 | 58.8 Ų | 58.8 | 46% | 0.463 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -102.9 | 129.7 | 174.4 | -69.6 | 173.4 | -178.3 | 0 | 0 | 108.7 | G223 E262 | G223-E242 PolarHBondContact N-O 2.87Å; E242-E262 HydrophobicContact CB-CB 4.23Å; E242-E262 HydrophobicContact CG-CB 4.17Å; E242-E262 HydrophobicContact CG-CG 4.09Å |
| 243 | G | 63.1 | Low | 66.3 | Low | 25 Ų | 25 | 54.6 Ų | 54.6 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | trans | 71.1 | 61.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | E262 | G243-E262 PolarHBondContact N-O 2.87Š| ||
| 244 | A | 71.9 | Confident | 66.9 | Low | 19 Ų | 19 | 54.5 Ų | 54.5 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | trans | -75.1 | 125.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111 | A224 N236 N256 G264 Q265 | A224-A244 CarbonylContact O-C 3.58Å; A224-A244 WeakPolarHBondContact O-CA 3.47Å; N236-A244 HydrophobicContact CB-CB 3.8Å; A244-N256 HydrophobicContact CB-CB 4.21Å; A244-G264 CarbonylContact O-C 3.54Å; A244-G264 WeakPolarHBondContact O-CA 3.24Å; A244-Q265 PolarHBondContact O-N 2.84Å | ||
| 245 | Q | 73.9 | Confident | 67.2 | Low | 59 Ų | 59 | 55.3 Ų | 55.3 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.5 | -177.5 | -64.9 | -169.9 | -30.8 | 0 | 0 | 112.3 | A224 Q225 N226 Q265 | A224-Q245 PolarHBondContact O-N 3.43Å; Q225-Q245 CarbonylContact C-O 3.59Å; Q225-Q245 VanDerWaalsContact CA-O 3.27Å; Q225-Q245 WeakPolarHBondContact CA-O 3.31Å; Q225-Q245 HydrophobicContact CG-CB 4.21Å; N226-Q245 PolarHBondContact N-O 3.03Å; Q245-Q265 CarbonylContact C-O 3.57Å; Q245-Q265 VanDerWaalsContact CA-O 3.29Å; Q245-Q265 WeakPolarHBondContact CA-O 3.32Å; Q245-Q265 HydrophobicContact CG-CB 4.23Å |
| 246 | N | 74.3 | Confident | 67.3 | Low | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.9 | 169.6 | -59 | -51.5 | 0 | 0 | 0 | 110.2 | N226 A234 N236 A254 N256 Q265 N266 Q267 | N226-N246 WeakPolarHBondContact CB-OD1 2.93Å; N226-N246 PolarHBondContact ND2-OD1 3.38Å; N226-N246 VanDerWaalsContact ND2-OD1 3.07Å; N226-N246 CarbonylContact O-C 3.44Å; N226-N246 WeakPolarHBondContact O-CA 3.26Å; A234-N246 HydrophobicContact CB-CB 4.07Å; N236-N246 PolarHBondContact ND2-OD1 2.88Å; N246-A254 HydrophobicContact CB-CB 4.01Å; N246-N256 PolarHBondContact ND2-OD1 3.16Å; N246-Q265 PolarHBondContact N-O 2.83Å; N246-N266 WeakPolarHBondContact CB-OD1 3.36Å; N246-N266 PolarHBondContact ND2-OD1 3.19Å; N246-N266 CarbonylContact O-C 3.56Å; N246-N266 WeakPolarHBondContact O-CA 3.14Å; N246-Q267 PolarHBondContact O-N 3.04Å |
| 247 | Q | 72.7 | Confident | 67.4 | Low | 69 Ų | 69 | 55.6 Ų | 55.6 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.4 | 175.9 | -59 | -173.4 | 14.9 | 0 | 0 | 111.4 | N226 Q227 A228 Q267 | N226-Q247 PolarHBondContact O-N 2.92Å; Q227-Q247 CarbonylContact C-O 3.58Å; Q227-Q247 WeakPolarHBondContact CA-O 3.33Å; Q227-Q247 HydrophobicContact CG-CB 4.36Å; A228-Q247 PolarHBondContact N-O 3.27Å; Q247-Q267 CarbonylContact C-O 3.59Å; Q247-Q267 WeakPolarHBondContact CA-O 3.36Å; Q247-Q267 HydrophobicContact CG-CB 4.32Å |
| 248 | G | 66 | Low | 67.1 | Low | 23 Ų | 23 | 53.7 Ų | 53.7 | 24% | 0.237 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A228 Q267 A268 K269 | A228-G248 WeakPolarHBondContact O-CA 3.24Å; G248-Q267 PolarHBondContact N-O 3.43Å; G248-A268 WeakPolarHBondContact O-CA 3.39Å; G248-K269 PolarHBondContact O-N 2.9Å |
| 249 | K | 64.9 | Low | 67.2 | Low | 109 Ų | 109 | 57.8 Ų | 57.8 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -43.2 | 168 | -67 | -173.1 | -175.9 | -175.8 | 0 | 112.2 | A228 K229 K269 K270 | A228-K249 PolarHBondContact O-N 2.83Å; A228-K249 VanDerWaalsContact O-N 3.1Å; K229-K249 HydrophobicContact CG-CD 4.48Å; K229-K249 WeakPolarHBondContact O-CB 3.35Å; K249-K269 HydrophobicContact CG-CD 4.34Å; K249-K269 WeakPolarHBondContact O-CB 3.29Å; K249-K270 PolarHBondContact O-N 3.01Å; K249-K270 VanDerWaalsContact O-N 3.15Å |
| 250 | K | 63 | Low | 67.2 | Low | 110 Ų | 110 | 57.1 Ų | 57.1 | 48% | 0.478 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 125.3 | 174.4 | -85.9 | -176.5 | 178 | -178.3 | 0 | 108.4 | K229 K230 G231 K270 | K229-K250 PolarHBondContact O-N 3.14Å; K230-K250 VanDerWaalsContact CA-O 3.32Å; K230-K250 WeakPolarHBondContact CA-O 2.99Å; K230-K250 HydrophobicContact CG-CB 4.06Å; G231-K250 PolarHBondContact N-O 2.71Å; K250-K270 VanDerWaalsContact CA-O 3.27Å; K250-K270 WeakPolarHBondContact CA-O 3.26Å; K250-K270 HydrophobicContact CG-CB 4.18Å |
| 251 | G | 59.5 | Low | 67.3 | Low | 32 Ų | 32 | 53.2 Ų | 53.2 | 33% | 0.33 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | 158.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G231 K270 G271 E272 | G231-G251 WeakPolarHBondContact O-CA 3.34Å; G251-K270 PolarHBondContact N-O 2.89Å; G251-G271 WeakPolarHBondContact O-CA 3.32Å; G251-E272 PolarHBondContact O-N 2.84Å |
| 252 | E | 62.5 | Low | 67.6 | Low | 112 Ų | 112 | 57.6 Ų | 57.6 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.3 | 170.2 | -69 | 171.3 | -161.8 | 0 | 0 | 108.1 | G233 E272 | G233-E252 PolarHBondContact N-O 3.49Å; E252-E272 CarbonylContact C-O 3.57Å |
| 253 | G | 65.3 | Low | 67.8 | Low | 34 Ų | 34 | 53.6 Ų | 53.6 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.4 | 94.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G233 A234 E272 G273 | G233-G253 CarbonylContact C-O 3.56Å; G233-G253 WeakPolarHBondContact CA-O 3.38Å; G233-G253 PolarHBondContact N-O 2.97Å; A234-G253 PolarHBondContact N-O 2.98Å; G253-E272 PolarHBondContact N-O 2.94Å; G253-G273 CarbonylContact C-O 3.6Å; G253-G273 VanDerWaalsContact CA-O 3.23Å; G253-G273 WeakPolarHBondContact CA-O 3.3Å |
| 254 | A | 73.3 | Confident | 68.1 | Low | 22 Ų | 22 | 52.8 Ų | 52.8 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | A234 N246 N266 G273 A274 Q275 | A234-A254 WeakPolarHBondContact O-CA 3.38Å; N246-A254 HydrophobicContact CB-CB 4.01Å; A254-N266 HydrophobicContact CB-CB 4.1Å; A254-N266 PolarHBondContact O-ND2 2.96Å; A254-G273 PolarHBondContact N-O 2.85Å; A254-A274 CarbonylContact O-C 3.55Å; A254-A274 WeakPolarHBondContact O-CA 3.41Å; A254-Q275 PolarHBondContact O-N 3.31Å |
| 255 | Q | 76.3 | Confident | 68.4 | Low | 36 Ų | 36 | 54.5 Ų | 54.5 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124 | -172.3 | -164.7 | 179.4 | -69.4 | 0 | 0 | 112.3 | A234 Q235 N236 Q257 Q275 | A234-Q255 PolarHBondContact O-N 3.44Å; Q235-Q255 CarbonylContact C-O 3.57Å; Q235-Q255 VanDerWaalsContact CA-O 3.32Å; Q235-Q255 WeakPolarHBondContact CA-O 3.35Å; Q235-Q255 HydrophobicContact CG-CB 4.23Å; N236-Q255 PolarHBondContact N-O 3.43Å; Q255-Q257 HydrophobicContact CG-CG 4.35Å; Q255-Q275 CarbonylContact C-O 3.55Å; Q255-Q275 VanDerWaalsContact CA-O 3.25Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CG-CB 4.16Å |
| 256 | N | 74.6 | Confident | 68.6 | Low | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.1 | 168.8 | -57.6 | -52.6 | 0 | 0 | 0 | 110.2 | N236 A244 N246 N266 Q275 N276 Q277 | N236-N256 WeakPolarHBondContact CB-OD1 3.25Å; N236-N256 PolarHBondContact ND2-OD1 3.33Å; N236-N256 CarbonylContact O-C 3.52Å; N236-N256 WeakPolarHBondContact O-CA 3.26Å; A244-N256 HydrophobicContact CB-CB 4.21Å; N246-N256 PolarHBondContact ND2-OD1 3.16Å; N256-N266 PolarHBondContact ND2-OD1 2.92Å; N256-Q275 PolarHBondContact N-O 2.89Å; N256-N276 WeakPolarHBondContact CB-OD1 3.45Å; N256-N276 PolarHBondContact ND2-OD1 3.16Å; N256-N276 CarbonylContact O-C 3.59Å; N256-N276 WeakPolarHBondContact O-CA 3.21Å; N256-Q277 PolarHBondContact O-N 3.5Å |
| 257 | Q | 74 | Confident | 68.7 | Low | 66 Ų | 66 | 55.1 Ų | 55.1 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.2 | 172.7 | -59 | -166.7 | 6.1 | 0 | 0 | 111.2 | N236 Q237 A238 Q255 Q277 | N236-Q257 PolarHBondContact O-N 3.17Å; Q237-Q257 WeakPolarHBondContact CA-O 3.38Å; Q237-Q257 HydrophobicContact CG-CB 4.28Å; A238-Q257 PolarHBondContact N-O 2.83Å; Q255-Q257 HydrophobicContact CG-CG 4.35Å; Q257-Q277 CarbonylContact C-O 3.6Å; Q257-Q277 WeakPolarHBondContact CA-O 3.22Å; Q257-Q277 HydrophobicContact CG-CB 4.31Å |
| 258 | A | 67.2 | Low | 68.5 | Low | 24 Ų | 24 | 53.5 Ų | 53.5 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A238 Q277 G278 K279 | A238-A258 WeakPolarHBondContact O-CA 3.35Å; A258-Q277 PolarHBondContact N-O 3.07Å; A258-G278 VanDerWaalsContact O-CA 3.29Å; A258-G278 WeakPolarHBondContact O-CA 2.91Å; A258-K279 PolarHBondContact O-N 3.29Å; A258-K279 VanDerWaalsContact O-N 3.11Å |
| 259 | K | 65.7 | Low | 68.6 | Low | 114 Ų | 114 | 57.6 Ų | 57.6 | 50% | 0.496 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -79.6 | -33.3 | 172.6 | -75.2 | 173.7 | -179.3 | 172.4 | 0 | 112.3 | A238 K239 K279 K280 | A238-K259 PolarHBondContact O-N 2.82Å; K239-K259 HydrophobicContact CG-CD 4.07Å; K239-K259 WeakPolarHBondContact O-CB 3.24Å; K259-K279 HydrophobicContact CG-CD 4.27Å; K259-K279 WeakPolarHBondContact O-CB 3.44Å; K259-K280 PolarHBondContact O-N 3.03Å |
| 260 | K | 64.4 | Low | 68.6 | Low | 116 Ų | 116 | 57.4 Ų | 57.4 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -155.4 | 130.9 | 175.5 | -169.2 | -175.6 | -178.6 | -169.6 | 0 | 110.4 | K239 K240 G241 K280 | K239-K260 PolarHBondContact O-N 2.99Å; K240-K260 VanDerWaalsContact CA-O 3.31Å; K240-K260 WeakPolarHBondContact CA-O 2.92Å; K240-K260 HydrophobicContact CG-CB 4.27Å; G241-K260 PolarHBondContact N-O 3.11Å; G241-K260 VanDerWaalsContact N-O 3.12Å; K260-K280 VanDerWaalsContact CA-O 3.32Å; K260-K280 WeakPolarHBondContact CA-O 3.47Å |
| 261 | G | 61.9 | Low | 68.6 | Low | 24 Ų | 24 | 53 Ų | 53 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 139 | -176.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G241 K280 G281 | G241-G261 WeakPolarHBondContact O-CA 2.98Å; G261-K280 PolarHBondContact N-O 3.4Å; G261-K280 VanDerWaalsContact N-O 3.14Å; G261-G281 WeakPolarHBondContact O-CA 3.27Å |
| 262 | E | 63.8 | Low | 68.9 | Low | 108 Ų | 108 | 56.3 Ų | 56.3 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -63.7 | 137.5 | 176.1 | -65.3 | -173.7 | 167.6 | 0 | 0 | 111.2 | E242 G243 | E242-E262 HydrophobicContact CB-CB 4.23Å; E242-E262 HydrophobicContact CG-CB 4.17Å; E242-E262 HydrophobicContact CG-CG 4.09Å; G243-E262 PolarHBondContact N-O 2.87Å |
| 263 | G | 64.5 | Low | 69.1 | Low | 15 Ų | 15 | 52.3 Ų | 52.3 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 164.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E282 | G263-E282 VanDerWaalsContact CA-O 3.31Å; G263-E282 WeakPolarHBondContact CA-O 3.44Å; G263-E282 PolarHBondContact N-O 2.93Å |
| 264 | G | 71.3 | Confident | 69.6 | Low | 8 Ų | 8 | 51.6 Ų | 51.6 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 149.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A244 N276 A284 Q285 | A244-G264 CarbonylContact O-C 3.54Å; A244-G264 WeakPolarHBondContact O-CA 3.24Å; G264-N276 PolarHBondContact O-ND2 3.15Å; G264-A284 WeakPolarHBondContact O-CA 3.41Å; G264-Q285 PolarHBondContact O-N 2.84Å |
| 265 | Q | 77.3 | Confident | 69.9 | Low | 55 Ų | 55 | 53 Ų | 53 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.4 | 172.7 | -57.3 | -178 | -11.1 | 0 | 0 | 110.5 | A244 Q245 N246 Q285 | A244-Q265 PolarHBondContact O-N 2.84Å; Q245-Q265 CarbonylContact C-O 3.57Å; Q245-Q265 VanDerWaalsContact CA-O 3.29Å; Q245-Q265 WeakPolarHBondContact CA-O 3.32Å; Q245-Q265 HydrophobicContact CG-CB 4.23Å; N246-Q265 PolarHBondContact N-O 2.83Å; Q265-Q285 CarbonylContact C-O 3.59Å; Q265-Q285 VanDerWaalsContact CA-O 3.26Å; Q265-Q285 WeakPolarHBondContact CA-O 3.26Å; Q265-Q285 HydrophobicContact CG-CB 4.28Å |
| 266 | N | 77.7 | Confident | 70.1 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.9 | 171.5 | -58.4 | -49.6 | 0 | 0 | 0 | 110 | N246 A254 N256 A274 N276 Q285 N286 Q287 | N246-N266 WeakPolarHBondContact CB-OD1 3.36Å; N246-N266 PolarHBondContact ND2-OD1 3.19Å; N246-N266 CarbonylContact O-C 3.56Å; N246-N266 WeakPolarHBondContact O-CA 3.14Å; A254-N266 HydrophobicContact CB-CB 4.1Å; A254-N266 PolarHBondContact O-ND2 2.96Å; N256-N266 PolarHBondContact ND2-OD1 2.92Å; N266-A274 HydrophobicContact CB-CB 4.03Å; N266-N276 PolarHBondContact ND2-OD1 3.48Å; N266-Q285 PolarHBondContact N-O 3.42Å; N266-N286 WeakPolarHBondContact CB-OD1 3.35Å; N266-N286 PolarHBondContact ND2-OD1 2.92Å; N266-N286 CarbonylContact O-C 3.59Å; N266-N286 WeakPolarHBondContact O-CA 3.48Å; N266-Q287 PolarHBondContact O-N 2.93Å |
| 267 | Q | 75.7 | Confident | 70.1 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.4 | 174.9 | -57.7 | -172.2 | 13.2 | 0 | 0 | 110.8 | N246 Q247 G248 Q287 | N246-Q267 PolarHBondContact O-N 3.04Å; Q247-Q267 CarbonylContact C-O 3.59Å; Q247-Q267 WeakPolarHBondContact CA-O 3.36Å; Q247-Q267 HydrophobicContact CG-CB 4.32Å; G248-Q267 PolarHBondContact N-O 3.43Å; Q267-Q287 CarbonylContact C-O 3.46Å; Q267-Q287 WeakPolarHBondContact CA-O 3.34Å; Q267-Q287 HydrophobicContact CG-CB 4.33Å |
| 268 | A | 69.9 | Low | 69.9 | Low | 35 Ų | 35 | 52.6 Ų | 52.6 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G248 Q287 G288 K289 | G248-A268 WeakPolarHBondContact O-CA 3.39Å; A268-Q287 PolarHBondContact N-O 2.92Å; A268-G288 VanDerWaalsContact O-CA 3.27Å; A268-G288 WeakPolarHBondContact O-CA 3.33Å; A268-K289 PolarHBondContact O-N 2.95Å; A268-K289 VanDerWaalsContact O-N 3.11Å |
| 269 | K | 67.3 | Low | 69.9 | Low | 109 Ų | 109 | 56.5 Ų | 56.5 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -42.3 | 169.7 | -69.1 | -175.9 | -175.2 | -178.4 | 0 | 111.4 | G248 K249 K289 K290 | G248-K269 PolarHBondContact O-N 2.9Å; K249-K269 HydrophobicContact CG-CD 4.34Å; K249-K269 WeakPolarHBondContact O-CB 3.29Å; K269-K289 HydrophobicContact CG-CD 4.41Å; K269-K289 WeakPolarHBondContact O-CB 3.35Å; K269-K290 PolarHBondContact O-N 2.91Å |
| 270 | K | 66.1 | Low | 69.9 | Low | 105 Ų | 105 | 56.9 Ų | 56.9 | 46% | 0.457 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 127 | 172 | -168.1 | -174.6 | 179 | -163.9 | 0 | 108.3 | K249 K250 G251 K290 | K249-K270 PolarHBondContact O-N 3.01Å; K249-K270 VanDerWaalsContact O-N 3.15Å; K250-K270 VanDerWaalsContact CA-O 3.27Å; K250-K270 WeakPolarHBondContact CA-O 3.26Å; K250-K270 HydrophobicContact CG-CB 4.18Å; G251-K270 PolarHBondContact N-O 2.89Å; K270-K290 VanDerWaalsContact CA-O 3.25Å; K270-K290 WeakPolarHBondContact CA-O 2.92Å |
| 271 | G | 62.7 | Low | 69.8 | Low | 16 Ų | 16 | 52.5 Ų | 52.5 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | 163.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G251 K290 G291 E292 | G251-G271 WeakPolarHBondContact O-CA 3.32Å; G271-K290 PolarHBondContact N-O 2.92Å; G271-G291 WeakPolarHBondContact O-CA 3.39Å; G271-E292 PolarHBondContact O-N 2.91Å |
| 272 | E | 65.1 | Low | 70 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.6 | 176 | -66.5 | 173 | -163 | 0 | 0 | 108.5 | G251 E252 G253 E292 | G251-E272 PolarHBondContact O-N 2.84Å; E252-E272 CarbonylContact C-O 3.57Å; G253-E272 PolarHBondContact N-O 2.94Å; E272-E292 CarbonylContact C-O 3.55Å; E272-E292 WeakPolarHBondContact CA-O 3.25Å; E272-E292 HydrophobicContact CG-CB 4.34Å |
| 273 | G | 67 | Low | 70 | Confident | 27 Ų | 27 | 53 Ų | 53 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.4 | 68 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | G253 A254 E292 G293 | G253-G273 CarbonylContact C-O 3.6Å; G253-G273 VanDerWaalsContact CA-O 3.23Å; G253-G273 WeakPolarHBondContact CA-O 3.3Å; A254-G273 PolarHBondContact N-O 2.85Å; G273-E292 PolarHBondContact N-O 2.83Å; G273-G293 CarbonylContact C-O 3.55Å; G273-G293 VanDerWaalsContact CA-O 3.24Å; G273-G293 WeakPolarHBondContact CA-O 3.45Å |
| 274 | A | 76 | Confident | 70.6 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 117.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A254 N266 N286 G293 A294 Q295 | A254-A274 CarbonylContact O-C 3.55Å; A254-A274 WeakPolarHBondContact O-CA 3.41Å; N266-A274 HydrophobicContact CB-CB 4.03Å; A274-N286 HydrophobicContact CB-CB 4.14Å; A274-G293 PolarHBondContact N-O 3.04Å; A274-A294 CarbonylContact O-C 3.6Å; A274-A294 WeakPolarHBondContact O-CA 3.26Å; A274-Q295 PolarHBondContact O-N 3.02Å |
| 275 | Q | 79.8 | Confident | 71.1 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 129.8 | -174 | -66 | -171.4 | -27.2 | 0 | 0 | 112.3 | A254 Q255 N256 Q295 | A254-Q275 PolarHBondContact O-N 3.31Å; Q255-Q275 CarbonylContact C-O 3.55Å; Q255-Q275 VanDerWaalsContact CA-O 3.25Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CG-CB 4.16Å; N256-Q275 PolarHBondContact N-O 2.89Å; Q275-Q295 CarbonylContact C-O 3.57Å; Q275-Q295 VanDerWaalsContact CA-O 3.26Å; Q275-Q295 WeakPolarHBondContact CA-O 3.41Å; Q275-Q295 HydrophobicContact CG-CB 4.27Å |
| 276 | N | 79.2 | Confident | 71.3 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.8 | 167.1 | -59.6 | -56.2 | 0 | 0 | 0 | 109.8 | N256 G264 N266 A284 N286 Q295 N296 Q297 | N256-N276 WeakPolarHBondContact CB-OD1 3.45Å; N256-N276 PolarHBondContact ND2-OD1 3.16Å; N256-N276 CarbonylContact O-C 3.59Å; N256-N276 WeakPolarHBondContact O-CA 3.21Å; G264-N276 PolarHBondContact O-ND2 3.15Å; N266-N276 PolarHBondContact ND2-OD1 3.48Å; N276-A284 HydrophobicContact CB-CB 3.87Å; N276-N286 PolarHBondContact ND2-OD1 2.83Å; N276-Q295 PolarHBondContact N-O 2.99Å; N276-N296 WeakPolarHBondContact CB-OD1 3.29Å; N276-N296 PolarHBondContact ND2-OD1 3.12Å; N276-N296 CarbonylContact O-C 3.56Å; N276-N296 WeakPolarHBondContact O-CA 3.33Å; N276-Q297 PolarHBondContact O-N 2.95Å |
| 277 | Q | 76.6 | Confident | 71.4 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.2 | 178.3 | -58.7 | -173.4 | 16 | 0 | 0 | 111.6 | N256 Q257 A258 Q297 | N256-Q277 PolarHBondContact O-N 3.5Å; Q257-Q277 CarbonylContact C-O 3.6Å; Q257-Q277 WeakPolarHBondContact CA-O 3.22Å; Q257-Q277 HydrophobicContact CG-CB 4.31Å; A258-Q277 PolarHBondContact N-O 3.07Å; Q277-Q297 CarbonylContact C-O 3.55Å; Q277-Q297 WeakPolarHBondContact CA-O 3.35Å; Q277-Q297 HydrophobicContact CG-CB 4.36Å |
| 278 | G | 69 | Low | 71.1 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 24% | 0.237 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | A258 Q297 A298 K299 | A258-G278 VanDerWaalsContact O-CA 3.29Å; A258-G278 WeakPolarHBondContact O-CA 2.91Å; G278-Q297 PolarHBondContact N-O 2.87Å; G278-A298 CarbonylContact O-C 3.6Å; G278-A298 VanDerWaalsContact O-CA 3.3Å; G278-A298 WeakPolarHBondContact O-CA 3.45Å; G278-K299 PolarHBondContact O-N 3.44Å |
| 279 | K | 67 | Low | 71.2 | Confident | 106 Ų | 106 | 57 Ų | 57 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -42.3 | 165.3 | -67.2 | -172.1 | -176.4 | -174.1 | 0 | 112 | A258 K259 K299 K300 | A258-K279 PolarHBondContact O-N 3.29Å; A258-K279 VanDerWaalsContact O-N 3.11Å; K259-K279 HydrophobicContact CG-CD 4.27Å; K259-K279 WeakPolarHBondContact O-CB 3.44Å; K279-K299 HydrophobicContact CG-CD 4.3Å; K279-K299 WeakPolarHBondContact O-CB 3.39Å; K279-K300 PolarHBondContact O-N 2.97Å; K279-K300 VanDerWaalsContact O-N 3.11Å |
| 280 | K | 66.5 | Low | 71.3 | Confident | 122 Ų | 122 | 57 Ų | 57 | 53% | 0.53 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 119 | 173.5 | -72.9 | -173.9 | 178.7 | -178.2 | 0 | 108.2 | K259 K260 G261 K300 | K259-K280 PolarHBondContact O-N 3.03Å; K260-K280 VanDerWaalsContact CA-O 3.32Å; K260-K280 WeakPolarHBondContact CA-O 3.47Å; G261-K280 PolarHBondContact N-O 3.4Å; G261-K280 VanDerWaalsContact N-O 3.14Å; K280-K300 VanDerWaalsContact CA-O 3.27Å; K280-K300 WeakPolarHBondContact CA-O 3.22Å; K280-K300 HydrophobicContact CG-CB 4.29Å |
| 281 | G | 61.8 | Low | 71.2 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | trans | -178.2 | 159.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G261 K300 G301 | G261-G281 WeakPolarHBondContact O-CA 3.27Å; G281-K300 PolarHBondContact N-O 2.98Å; G281-G301 WeakPolarHBondContact O-CA 3.36Å | ||
| 282 | E | 65 | Low | 71.3 | Confident | 111 Ų | 111 | 57.2 Ų | 57.2 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -112.4 | 144.6 | 179.9 | -66.6 | 170.8 | -163.5 | 0 | 0 | 109.3 | G263 E302 | G263-E282 VanDerWaalsContact CA-O 3.31Å; G263-E282 WeakPolarHBondContact CA-O 3.44Å; G263-E282 PolarHBondContact N-O 2.93Å; E282-E302 CarbonylContact C-O 3.51Å; E282-E302 VanDerWaalsContact CA-O 3.29Å; E282-E302 WeakPolarHBondContact CA-O 3.45Å; E282-E302 HydrophobicContact CG-CB 4.28Å |
| 283 | G | 65.4 | Low | 71.5 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | trans | 81 | 36.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q285 E302 G303 | G283-Q285 PolarHBondContact O-N 3.44Å; G283-E302 PolarHBondContact N-O 3.48Å; G283-G303 CarbonylContact C-O 3.6Å; G283-G303 WeakPolarHBondContact CA-O 3.48Å; G283-G303 PolarHBondContact N-O 2.89Å | ||
| 284 | A | 77.2 | Confident | 72 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | trans | -72.1 | 122.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G264 N276 N296 G303 A304 Q305 | G264-A284 WeakPolarHBondContact O-CA 3.41Å; N276-A284 HydrophobicContact CB-CB 3.87Å; A284-N296 HydrophobicContact CB-CB 4.31Å; A284-G303 PolarHBondContact N-O 3.19Å; A284-A304 CarbonylContact O-C 3.59Å; A284-A304 WeakPolarHBondContact O-CA 3.16Å; A284-Q305 PolarHBondContact O-N 3.5Å | ||
| 285 | Q | 81.2 | Confident | 72.3 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.6 | -175.7 | -61.2 | -176.9 | -39.6 | 0 | 0 | 112.6 | G264 Q265 N266 G283 Q305 | G264-Q285 PolarHBondContact O-N 2.84Å; Q265-Q285 CarbonylContact C-O 3.59Å; Q265-Q285 VanDerWaalsContact CA-O 3.26Å; Q265-Q285 WeakPolarHBondContact CA-O 3.26Å; Q265-Q285 HydrophobicContact CG-CB 4.28Å; N266-Q285 PolarHBondContact N-O 3.42Å; G283-Q285 PolarHBondContact O-N 3.44Å; Q285-Q305 CarbonylContact C-O 3.58Å; Q285-Q305 VanDerWaalsContact CA-O 3.29Å; Q285-Q305 WeakPolarHBondContact CA-O 3.42Å; Q285-Q305 HydrophobicContact CG-CB 4.27Å |
| 286 | N | 81.9 | Confident | 72.5 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.2 | 167.5 | -58.6 | -53.3 | 0 | 0 | 0 | 110 | N266 A274 N276 A294 N296 Q305 N306 Q307 | N266-N286 WeakPolarHBondContact CB-OD1 3.35Å; N266-N286 PolarHBondContact ND2-OD1 2.92Å; N266-N286 CarbonylContact O-C 3.59Å; N266-N286 WeakPolarHBondContact O-CA 3.48Å; A274-N286 HydrophobicContact CB-CB 4.14Å; N276-N286 PolarHBondContact ND2-OD1 2.83Å; N286-A294 HydrophobicContact CB-CB 4.04Å; N286-N296 PolarHBondContact ND2-OD1 2.8Å; N286-Q305 PolarHBondContact N-O 3Å; N286-N306 WeakPolarHBondContact CB-OD1 3.31Å; N286-N306 PolarHBondContact ND2-OD1 3.01Å; N286-N306 CarbonylContact O-C 3.55Å; N286-N306 WeakPolarHBondContact O-CA 3.29Å; N286-Q307 PolarHBondContact O-N 2.85Å |
| 287 | Q | 78.8 | Confident | 72.5 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.5 | 177.8 | -59 | -173.1 | 15.3 | 0 | 0 | 111.7 | N266 Q267 A268 Q307 | N266-Q287 PolarHBondContact O-N 2.93Å; Q267-Q287 CarbonylContact C-O 3.46Å; Q267-Q287 WeakPolarHBondContact CA-O 3.34Å; Q267-Q287 HydrophobicContact CG-CB 4.33Å; A268-Q287 PolarHBondContact N-O 2.92Å; Q287-Q307 CarbonylContact C-O 3.56Å; Q287-Q307 WeakPolarHBondContact CA-O 3.38Å; Q287-Q307 HydrophobicContact CG-CB 4.39Å |
| 288 | G | 70.8 | Confident | 72.3 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 140.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A268 Q307 A308 K309 | A268-G288 VanDerWaalsContact O-CA 3.27Å; A268-G288 WeakPolarHBondContact O-CA 3.33Å; G288-Q307 PolarHBondContact N-O 2.85Å; G288-A308 CarbonylContact O-C 3.53Å; G288-A308 VanDerWaalsContact O-CA 3.29Å; G288-A308 WeakPolarHBondContact O-CA 3.27Å; G288-K309 PolarHBondContact O-N 2.85Å |
| 289 | K | 71.1 | Confident | 72.4 | Confident | 108 Ų | 108 | 57.9 Ų | 57.9 | 47% | 0.47 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -45 | 163.8 | -64 | -173.7 | -177.9 | -172.8 | 0 | 111.5 | A268 K269 K309 K310 | A268-K289 PolarHBondContact O-N 2.95Å; A268-K289 VanDerWaalsContact O-N 3.11Å; K269-K289 HydrophobicContact CG-CD 4.41Å; K269-K289 WeakPolarHBondContact O-CB 3.35Å; K289-K309 HydrophobicContact CG-CD 4.36Å; K289-K309 WeakPolarHBondContact O-CB 2.98Å; K289-K310 PolarHBondContact O-N 2.83Å |
| 290 | K | 68.7 | Low | 72.4 | Confident | 109 Ų | 109 | 58.8 Ų | 58.8 | 47% | 0.474 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 123.8 | 174.4 | -168 | -179.5 | 179.2 | -173.5 | 0 | 108.9 | K269 K270 G271 K310 | K269-K290 PolarHBondContact O-N 2.91Å; K270-K290 VanDerWaalsContact CA-O 3.25Å; K270-K290 WeakPolarHBondContact CA-O 2.92Å; G271-K290 PolarHBondContact N-O 2.92Å; K290-K310 VanDerWaalsContact CA-O 3.25Å; K290-K310 WeakPolarHBondContact CA-O 3.35Å |
| 291 | G | 63.5 | Low | 72.3 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 26% | 0.258 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178 | 162.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G271 K310 G311 E312 | G271-G291 WeakPolarHBondContact O-CA 3.39Å; G291-K310 PolarHBondContact N-O 3.31Å; G291-K310 VanDerWaalsContact N-O 3.16Å; G291-G311 WeakPolarHBondContact O-CA 3.25Å; G291-E312 PolarHBondContact O-N 3.11Å |
| 292 | E | 66.2 | Low | 72.5 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 139.5 | 178 | -62.3 | 173.5 | -163 | 0 | 0 | 108.8 | G271 E272 G273 E312 | G271-E292 PolarHBondContact O-N 2.91Å; E272-E292 CarbonylContact C-O 3.55Å; E272-E292 WeakPolarHBondContact CA-O 3.25Å; E272-E292 HydrophobicContact CG-CB 4.34Å; G273-E292 PolarHBondContact N-O 2.83Å; E292-E312 CarbonylContact C-O 3.56Å; E292-E312 WeakPolarHBondContact CA-O 3.31Å; E292-E312 HydrophobicContact CG-CB 4.32Å |
| 293 | G | 68.3 | Low | 72.6 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.5 | 69.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G273 A274 E312 G313 | G273-G293 CarbonylContact C-O 3.55Å; G273-G293 VanDerWaalsContact CA-O 3.24Å; G273-G293 WeakPolarHBondContact CA-O 3.45Å; A274-G293 PolarHBondContact N-O 3.04Å; G293-E312 PolarHBondContact N-O 3.08Å; G293-G313 CarbonylContact C-O 3.58Å; G293-G313 VanDerWaalsContact CA-O 3.25Å; G293-G313 WeakPolarHBondContact CA-O 3.37Å; G293-G313 PolarHBondContact N-O 3.03Å |
| 294 | A | 78.9 | Confident | 73.3 | Confident | 23 Ų | 23 | 53 Ų | 53 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110 | A274 N286 N306 G313 A314 Q315 | A274-A294 CarbonylContact O-C 3.6Å; A274-A294 WeakPolarHBondContact O-CA 3.26Å; N286-A294 HydrophobicContact CB-CB 4.04Å; A294-N306 HydrophobicContact CB-CB 4.16Å; A294-G313 PolarHBondContact N-O 2.74Å; A294-A314 CarbonylContact O-C 3.51Å; A294-A314 WeakPolarHBondContact O-CA 3.48Å; A294-Q315 PolarHBondContact O-N 3.49Å |
| 295 | Q | 82.5 | Confident | 73.6 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.5 | -176.2 | -58.5 | -179.2 | -38.1 | 0 | 0 | 112.4 | A274 Q275 N276 Q315 | A274-Q295 PolarHBondContact O-N 3.02Å; Q275-Q295 CarbonylContact C-O 3.57Å; Q275-Q295 VanDerWaalsContact CA-O 3.26Å; Q275-Q295 WeakPolarHBondContact CA-O 3.41Å; Q275-Q295 HydrophobicContact CG-CB 4.27Å; N276-Q295 PolarHBondContact N-O 2.99Å; Q295-Q315 CarbonylContact C-O 3.59Å; Q295-Q315 VanDerWaalsContact CA-O 3.24Å; Q295-Q315 WeakPolarHBondContact CA-O 3.4Å; Q295-Q315 HydrophobicContact CG-CB 4.25Å |
| 296 | N | 82.4 | Confident | 73.7 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.2 | 168 | -58.5 | -52 | 0 | 0 | 0 | 109.6 | N276 A284 N286 A304 N306 Q315 N316 Q317 | N276-N296 WeakPolarHBondContact CB-OD1 3.29Å; N276-N296 PolarHBondContact ND2-OD1 3.12Å; N276-N296 CarbonylContact O-C 3.56Å; N276-N296 WeakPolarHBondContact O-CA 3.33Å; A284-N296 HydrophobicContact CB-CB 4.31Å; N286-N296 PolarHBondContact ND2-OD1 2.8Å; N296-A304 HydrophobicContact CB-CB 3.89Å; N296-N306 PolarHBondContact ND2-OD1 3.15Å; N296-Q315 PolarHBondContact N-O 3.4Å; N296-N316 WeakPolarHBondContact CB-OD1 3.37Å; N296-N316 PolarHBondContact ND2-OD1 3.13Å; N296-N316 CarbonylContact O-C 3.18Å; N296-N316 WeakPolarHBondContact O-CA 3.27Å; N296-Q317 PolarHBondContact O-N 3.4Å |
| 297 | Q | 79.6 | Confident | 73.7 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.1 | 177 | -58.4 | -172.7 | 14.9 | 0 | 0 | 110.8 | N276 Q277 G278 Q317 | N276-Q297 PolarHBondContact O-N 2.95Å; Q277-Q297 CarbonylContact C-O 3.55Å; Q277-Q297 WeakPolarHBondContact CA-O 3.35Å; Q277-Q297 HydrophobicContact CG-CB 4.36Å; G278-Q297 PolarHBondContact N-O 2.87Å; Q297-Q317 CarbonylContact C-O 3.53Å; Q297-Q317 WeakPolarHBondContact CA-O 3.34Å; Q297-Q317 HydrophobicContact CG-CB 4.32Å |
| 298 | A | 72.7 | Confident | 73.6 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 135.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G278 Q317 G318 K319 | G278-A298 CarbonylContact O-C 3.6Å; G278-A298 VanDerWaalsContact O-CA 3.3Å; G278-A298 WeakPolarHBondContact O-CA 3.45Å; A298-Q317 PolarHBondContact N-O 3.47Å; A298-G318 VanDerWaalsContact O-CA 3.28Å; A298-G318 WeakPolarHBondContact O-CA 3.36Å; A298-K319 PolarHBondContact O-N 2.94Å; A298-K319 VanDerWaalsContact O-N 3.12Å |
| 299 | K | 70.2 | Confident | 73.8 | Confident | 108 Ų | 108 | 58 Ų | 58 | 47% | 0.47 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -40.7 | 169.9 | -67.1 | -174.1 | -176.4 | -176.7 | 0 | 111.7 | G278 K279 K319 K320 | G278-K299 PolarHBondContact O-N 3.44Å; K279-K299 HydrophobicContact CG-CD 4.3Å; K279-K299 WeakPolarHBondContact O-CB 3.39Å; K299-K319 HydrophobicContact CG-CD 4.39Å; K299-K319 WeakPolarHBondContact O-CB 3.37Å; K299-K320 PolarHBondContact O-N 2.92Å; K299-K320 VanDerWaalsContact O-N 3.13Å |
| 300 | K | 68.5 | Low | 73.9 | Confident | 125 Ų | 125 | 57.5 Ų | 57.5 | 54% | 0.543 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 125.3 | 170.1 | -164.3 | -172.6 | -179.3 | -162.1 | 0 | 107.7 | K279 K280 G281 K320 | K279-K300 PolarHBondContact O-N 2.97Å; K279-K300 VanDerWaalsContact O-N 3.11Å; K280-K300 VanDerWaalsContact CA-O 3.27Å; K280-K300 WeakPolarHBondContact CA-O 3.22Å; K280-K300 HydrophobicContact CG-CB 4.29Å; G281-K300 PolarHBondContact N-O 2.98Å; K300-K320 VanDerWaalsContact CA-O 3.24Å; K300-K320 WeakPolarHBondContact CA-O 3.41Å; K300-K320 HydrophobicContact CG-CB 4.28Å |
| 301 | G | 63.5 | Low | 73.7 | Confident | 17 Ų | 17 | 53 Ų | 53 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 158.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G281 K320 G321 E322 | G281-G301 WeakPolarHBondContact O-CA 3.36Å; G301-K320 PolarHBondContact N-O 2.91Å; G301-K320 VanDerWaalsContact N-O 3.11Å; G301-G321 WeakPolarHBondContact O-CA 2.89Å; G301-E322 PolarHBondContact O-N 3.48Å |
| 302 | E | 66 | Low | 74 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 143.2 | 176.8 | -63.8 | 172 | -164.2 | 0 | 0 | 109.3 | E282 G283 E322 | E282-E302 CarbonylContact C-O 3.51Å; E282-E302 VanDerWaalsContact CA-O 3.29Å; E282-E302 WeakPolarHBondContact CA-O 3.45Å; E282-E302 HydrophobicContact CG-CB 4.28Å; G283-E302 PolarHBondContact N-O 3.48Å; E302-E322 WeakPolarHBondContact CA-O 3.38Å; E302-E322 HydrophobicContact CG-CB 4.39Å |
| 303 | G | 68.3 | Low | 74.2 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | trans | 74.5 | 62.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | G283 A284 E322 G323 | G283-G303 CarbonylContact C-O 3.6Å; G283-G303 WeakPolarHBondContact CA-O 3.48Å; G283-G303 PolarHBondContact N-O 2.89Å; A284-G303 PolarHBondContact N-O 3.19Å; G303-E322 PolarHBondContact N-O 2.92Å; G303-G323 WeakPolarHBondContact CA-O 3.35Å | ||
| 304 | A | 78.3 | Confident | 74.7 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | trans | -91.4 | 120.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A284 N296 N316 G323 A324 Q325 | A284-A304 CarbonylContact O-C 3.59Å; A284-A304 WeakPolarHBondContact O-CA 3.16Å; N296-A304 HydrophobicContact CB-CB 3.89Å; A304-N316 HydrophobicContact CB-CB 4.2Å; A304-G323 PolarHBondContact N-O 2.87Å; A304-A324 CarbonylContact O-C 3.57Å; A304-A324 WeakPolarHBondContact O-CA 3.23Å; A304-Q325 PolarHBondContact O-N 3.5Å | ||
| 305 | Q | 83.4 | Confident | 74.9 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.9 | -176.6 | -60.3 | -179.1 | -32.7 | 0 | 0 | 112.8 | A284 Q285 N286 Q325 | A284-Q305 PolarHBondContact O-N 3.5Å; Q285-Q305 CarbonylContact C-O 3.58Å; Q285-Q305 VanDerWaalsContact CA-O 3.29Å; Q285-Q305 WeakPolarHBondContact CA-O 3.42Å; Q285-Q305 HydrophobicContact CG-CB 4.27Å; N286-Q305 PolarHBondContact N-O 3Å; Q305-Q325 CarbonylContact C-O 3.54Å; Q305-Q325 VanDerWaalsContact CA-O 3.27Å; Q305-Q325 WeakPolarHBondContact CA-O 3.24Å; Q305-Q325 HydrophobicContact CG-CB 4.26Å |
| 306 | N | 84.1 | Confident | 75 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 126.4 | 168 | -57.7 | -52.6 | 0 | 0 | 0 | 110 | N286 A294 N296 A314 N316 Q325 N326 Q327 | N286-N306 WeakPolarHBondContact CB-OD1 3.31Å; N286-N306 PolarHBondContact ND2-OD1 3.01Å; N286-N306 CarbonylContact O-C 3.55Å; N286-N306 WeakPolarHBondContact O-CA 3.29Å; A294-N306 HydrophobicContact CB-CB 4.16Å; N296-N306 PolarHBondContact ND2-OD1 3.15Å; N306-A314 HydrophobicContact CB-CB 4Å; N306-N316 PolarHBondContact ND2-OD1 2.85Å; N306-Q325 PolarHBondContact N-O 2.91Å; N306-N326 WeakPolarHBondContact CB-OD1 3.29Å; N306-N326 PolarHBondContact ND2-OD1 2.89Å; N306-N326 CarbonylContact O-C 3.44Å; N306-N326 WeakPolarHBondContact O-CA 3.4Å; N306-Q327 PolarHBondContact O-N 3.1Å |
| 307 | Q | 82.2 | Confident | 74.8 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.5 | 177 | -59.4 | -173.2 | 16.7 | 0 | 0 | 111 | N286 Q287 G288 Q327 | N286-Q307 PolarHBondContact O-N 2.85Å; Q287-Q307 CarbonylContact C-O 3.56Å; Q287-Q307 WeakPolarHBondContact CA-O 3.38Å; Q287-Q307 HydrophobicContact CG-CB 4.39Å; G288-Q307 PolarHBondContact N-O 2.85Å; Q307-Q327 CarbonylContact C-O 3.5Å; Q307-Q327 WeakPolarHBondContact CA-O 3.38Å; Q307-Q327 HydrophobicContact CG-CB 4.35Å |
| 308 | A | 77.3 | Confident | 74.4 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 26% | 0.256 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G288 Q327 S328 K329 | G288-A308 CarbonylContact O-C 3.53Å; G288-A308 VanDerWaalsContact O-CA 3.29Å; G288-A308 WeakPolarHBondContact O-CA 3.27Å; A308-Q327 PolarHBondContact N-O 3.05Å; A308-S328 WeakPolarHBondContact O-CA 3.46Å; A308-K329 PolarHBondContact O-N 3.32Å; A308-K329 VanDerWaalsContact O-N 3.15Å |
| 309 | K | 74.7 | Confident | 74.3 | Confident | 111 Ų | 111 | 56.7 Ų | 56.7 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -45.9 | 168.1 | -65.9 | -175 | -176.7 | -174.6 | 0 | 111.1 | G288 K289 K329 K330 | G288-K309 PolarHBondContact O-N 2.85Å; K289-K309 HydrophobicContact CG-CD 4.36Å; K289-K309 WeakPolarHBondContact O-CB 2.98Å; K309-K329 HydrophobicContact CG-CD 4.48Å; K309-K329 WeakPolarHBondContact O-CB 3.38Å; K309-K330 PolarHBondContact O-N 2.86Å |
| 310 | K | 72.5 | Confident | 74.3 | Confident | 99 Ų | 99 | 57.3 Ų | 57.3 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 127.1 | 170.5 | -169.6 | -178.9 | 179.1 | -171.4 | 0 | 108.7 | K289 K290 G291 K330 | K289-K310 PolarHBondContact O-N 2.83Å; K290-K310 VanDerWaalsContact CA-O 3.25Å; K290-K310 WeakPolarHBondContact CA-O 3.35Å; G291-K310 PolarHBondContact N-O 3.31Å; G291-K310 VanDerWaalsContact N-O 3.16Å; K310-K330 VanDerWaalsContact CA-O 3.24Å; K310-K330 WeakPolarHBondContact CA-O 2.98Å |
| 311 | G | 65.7 | Low | 74 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | 163.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G291 K330 G331 E332 | G291-G311 WeakPolarHBondContact O-CA 3.25Å; G311-K330 PolarHBondContact N-O 3.1Å; G311-K330 VanDerWaalsContact N-O 3.11Å; G311-G331 WeakPolarHBondContact O-CA 3.34Å; G311-E332 PolarHBondContact O-N 2.9Å |
| 312 | E | 69.1 | Low | 74.1 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.5 | 179.4 | -64.5 | 171.3 | -160.1 | 0 | 0 | 108.9 | G291 E292 G293 E332 | G291-E312 PolarHBondContact O-N 3.11Å; E292-E312 CarbonylContact C-O 3.56Å; E292-E312 WeakPolarHBondContact CA-O 3.31Å; E292-E312 HydrophobicContact CG-CB 4.32Å; G293-E312 PolarHBondContact N-O 3.08Å; E312-E332 CarbonylContact C-O 3.53Å; E312-E332 WeakPolarHBondContact CA-O 3.37Å; E312-E332 HydrophobicContact CG-CB 4.32Å |
| 313 | G | 69.6 | Low | 74.2 | Confident | 27 Ų | 27 | 53 Ų | 53 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.8 | 73 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G293 A294 E332 G333 | G293-G313 CarbonylContact C-O 3.58Å; G293-G313 VanDerWaalsContact CA-O 3.25Å; G293-G313 WeakPolarHBondContact CA-O 3.37Å; G293-G313 PolarHBondContact N-O 3.03Å; A294-G313 PolarHBondContact N-O 2.74Å; G313-E332 PolarHBondContact N-O 3.13Å; G313-G333 WeakPolarHBondContact CA-O 3.39Å |
| 314 | A | 80.1 | Confident | 74.7 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A294 N306 N326 G333 A334 Q335 | A294-A314 CarbonylContact O-C 3.51Å; A294-A314 WeakPolarHBondContact O-CA 3.48Å; N306-A314 HydrophobicContact CB-CB 4Å; A314-N326 HydrophobicContact CB-CB 4.15Å; A314-G333 PolarHBondContact N-O 3.05Å; A314-A334 CarbonylContact O-C 3.57Å; A314-A334 WeakPolarHBondContact O-CA 3.5Å; A314-Q335 PolarHBondContact O-N 3.49Å |
| 315 | Q | 83 | Confident | 74.9 | Confident | 46 Ų | 46 | 54 Ų | 54 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.9 | -175.6 | -58.3 | -178.9 | -45.4 | 0 | 0 | 112.3 | A294 Q295 N296 Q335 | A294-Q315 PolarHBondContact O-N 3.49Å; Q295-Q315 CarbonylContact C-O 3.59Å; Q295-Q315 VanDerWaalsContact CA-O 3.24Å; Q295-Q315 WeakPolarHBondContact CA-O 3.4Å; Q295-Q315 HydrophobicContact CG-CB 4.25Å; N296-Q315 PolarHBondContact N-O 3.4Å; Q315-Q335 CarbonylContact C-O 3.56Å; Q315-Q335 VanDerWaalsContact CA-O 3.26Å; Q315-Q335 WeakPolarHBondContact CA-O 3.43Å; Q315-Q335 HydrophobicContact CG-CB 4.25Å |
| 316 | N | 83.3 | Confident | 75 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127 | 168.6 | -58.7 | -52.9 | 0 | 0 | 0 | 109.5 | N296 A304 N306 A324 N326 Q335 N336 Q337 | N296-N316 WeakPolarHBondContact CB-OD1 3.37Å; N296-N316 PolarHBondContact ND2-OD1 3.13Å; N296-N316 CarbonylContact O-C 3.18Å; N296-N316 WeakPolarHBondContact O-CA 3.27Å; A304-N316 HydrophobicContact CB-CB 4.2Å; N306-N316 PolarHBondContact ND2-OD1 2.85Å; N316-A324 HydrophobicContact CB-CB 3.82Å; N316-N326 PolarHBondContact ND2-OD1 3.25Å; N316-Q335 PolarHBondContact N-O 2.87Å; N316-N336 WeakPolarHBondContact CB-OD1 3.43Å; N316-N336 PolarHBondContact ND2-OD1 2.86Å; N316-N336 CarbonylContact O-C 3.5Å; N316-N336 WeakPolarHBondContact O-CA 3.34Å; N316-Q337 PolarHBondContact O-N 2.79Å |
| 317 | Q | 79.3 | Confident | 74.9 | Confident | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.1 | 179.7 | -58.6 | -173.1 | 12.9 | 0 | 0 | 111.8 | N296 Q297 A298 Q337 | N296-Q317 PolarHBondContact O-N 3.4Å; Q297-Q317 CarbonylContact C-O 3.53Å; Q297-Q317 WeakPolarHBondContact CA-O 3.34Å; Q297-Q317 HydrophobicContact CG-CB 4.32Å; A298-Q317 PolarHBondContact N-O 3.47Å; Q317-Q337 CarbonylContact C-O 3.54Å; Q317-Q337 WeakPolarHBondContact CA-O 3.23Å; Q317-Q337 HydrophobicContact CG-CB 4.34Å |
| 318 | G | 71.1 | Confident | 74.6 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A298 Q337 A338 K339 | A298-G318 VanDerWaalsContact O-CA 3.28Å; A298-G318 WeakPolarHBondContact O-CA 3.36Å; G318-Q337 PolarHBondContact N-O 3.46Å; G318-A338 CarbonylContact O-C 3.56Å; G318-A338 VanDerWaalsContact O-CA 3.3Å; G318-A338 WeakPolarHBondContact O-CA 3.32Å; G318-K339 PolarHBondContact O-N 2.9Å |
| 319 | K | 70.5 | Confident | 74.5 | Confident | 123 Ų | 123 | 56.7 Ų | 56.7 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -41.7 | 165.5 | -68.5 | -173.2 | -178.7 | -171.2 | 0 | 112 | A298 K299 K339 K340 | A298-K319 PolarHBondContact O-N 2.94Å; A298-K319 VanDerWaalsContact O-N 3.12Å; K299-K319 HydrophobicContact CG-CD 4.39Å; K299-K319 WeakPolarHBondContact O-CB 3.37Å; K319-K339 WeakPolarHBondContact O-CB 3.44Å; K319-K340 PolarHBondContact O-N 3.46Å; K319-K340 VanDerWaalsContact O-N 3.14Å |
| 320 | K | 69.2 | Low | 74.4 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 52% | 0.522 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 121.4 | 171.7 | -72.1 | -174.1 | 179.5 | -178.2 | 0 | 108.1 | K299 K300 G301 K340 | K299-K320 PolarHBondContact O-N 2.92Å; K299-K320 VanDerWaalsContact O-N 3.13Å; K300-K320 VanDerWaalsContact CA-O 3.24Å; K300-K320 WeakPolarHBondContact CA-O 3.41Å; K300-K320 HydrophobicContact CG-CB 4.28Å; G301-K320 PolarHBondContact N-O 2.91Å; G301-K320 VanDerWaalsContact N-O 3.11Å; K320-K340 VanDerWaalsContact CA-O 3.22Å; K320-K340 WeakPolarHBondContact CA-O 3.21Å; K320-K340 HydrophobicContact CG-CB 4.37Å |
| 321 | G | 63.2 | Low | 74.1 | Confident | 25 Ų | 25 | 52 Ų | 52 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 161.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G301 K340 G341 E342 | G301-G321 WeakPolarHBondContact O-CA 2.89Å; G321-K340 PolarHBondContact N-O 2.87Å; G321-G341 WeakPolarHBondContact O-CA 3.41Å; G321-E342 PolarHBondContact O-N 2.92Å |
| 322 | E | 65.7 | Low | 74.2 | Confident | 102 Ų | 102 | 56 Ų | 56 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.2 | -178.8 | -65.3 | 173.3 | -164.5 | 0 | 0 | 110 | G301 E302 G303 E342 | G301-E322 PolarHBondContact O-N 3.48Å; E302-E322 WeakPolarHBondContact CA-O 3.38Å; E302-E322 HydrophobicContact CG-CB 4.39Å; G303-E322 PolarHBondContact N-O 2.92Å; E322-E342 WeakPolarHBondContact CA-O 3.39Å; E322-E342 HydrophobicContact CG-CB 4.29Å |
| 323 | G | 67.7 | Low | 74.3 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | trans | 76 | 50.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | G303 A304 E342 G343 | G303-G323 WeakPolarHBondContact CA-O 3.35Å; A304-G323 PolarHBondContact N-O 2.87Å; G323-E342 PolarHBondContact N-O 3.37Å; G323-E342 VanDerWaalsContact N-O 3.07Å; G323-G343 CarbonylContact C-O 3.56Å; G323-G343 VanDerWaalsContact CA-O 3.31Å; G323-G343 WeakPolarHBondContact CA-O 3.24Å; G323-G343 PolarHBondContact N-O 2.88Å | ||
| 324 | A | 78.7 | Confident | 74.8 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A304 N316 N336 G343 G344 Q345 | A304-A324 CarbonylContact O-C 3.57Å; A304-A324 WeakPolarHBondContact O-CA 3.23Å; N316-A324 HydrophobicContact CB-CB 3.82Å; A324-N336 HydrophobicContact CB-CB 4.12Å; A324-N336 PolarHBondContact O-ND2 2.83Å; A324-G343 PolarHBondContact N-O 3.49Å; A324-G343 VanDerWaalsContact N-O 3.12Å; A324-G344 CarbonylContact O-C 3.51Å; A324-G344 WeakPolarHBondContact O-CA 3.41Å; A324-Q345 PolarHBondContact O-N 3.24Å |
| 325 | Q | 83.2 | Confident | 74.9 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.3 | -177.2 | -55 | -178 | -49.9 | 0 | 0 | 112.5 | A304 Q305 N306 Q345 | A304-Q325 PolarHBondContact O-N 3.5Å; Q305-Q325 CarbonylContact C-O 3.54Å; Q305-Q325 VanDerWaalsContact CA-O 3.27Å; Q305-Q325 WeakPolarHBondContact CA-O 3.24Å; Q305-Q325 HydrophobicContact CG-CB 4.26Å; N306-Q325 PolarHBondContact N-O 2.91Å; Q325-Q345 CarbonylContact C-O 3.55Å; Q325-Q345 VanDerWaalsContact CA-O 3.24Å; Q325-Q345 WeakPolarHBondContact CA-O 3.25Å; Q325-Q345 HydrophobicContact CG-CB 4.15Å |
| 326 | N | 84.7 | Confident | 74.8 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.4 | 168.6 | -57.8 | -53.7 | 0 | 0 | 0 | 109.7 | N306 A314 N316 A334 N336 Q345 N346 Q347 | N306-N326 WeakPolarHBondContact CB-OD1 3.29Å; N306-N326 PolarHBondContact ND2-OD1 2.89Å; N306-N326 CarbonylContact O-C 3.44Å; N306-N326 WeakPolarHBondContact O-CA 3.4Å; A314-N326 HydrophobicContact CB-CB 4.15Å; N316-N326 PolarHBondContact ND2-OD1 3.25Å; N326-A334 HydrophobicContact CB-CB 3.94Å; N326-N336 PolarHBondContact ND2-OD1 3.13Å; N326-Q345 PolarHBondContact N-O 3.07Å; N326-N346 WeakPolarHBondContact CB-OD1 3.38Å; N326-N346 PolarHBondContact ND2-OD1 3.11Å; N326-N346 CarbonylContact O-C 3.57Å; N326-N346 WeakPolarHBondContact O-CA 3.21Å; N326-Q347 PolarHBondContact O-N 3.48Å |
| 327 | Q | 82.2 | Confident | 74.7 | Confident | 70 Ų | 70 | 54.7 Ų | 54.7 | 33% | 0.327 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.1 | 177.1 | -59.2 | -173 | 8.6 | 0 | 0 | 111 | N306 Q307 A308 Q347 | N306-Q327 PolarHBondContact O-N 3.1Å; Q307-Q327 CarbonylContact C-O 3.5Å; Q307-Q327 WeakPolarHBondContact CA-O 3.38Å; Q307-Q327 HydrophobicContact CG-CB 4.35Å; A308-Q327 PolarHBondContact N-O 3.05Å; Q327-Q347 CarbonylContact C-O 3.46Å; Q327-Q347 WeakPolarHBondContact CA-O 3.38Å; Q327-Q347 HydrophobicContact CG-CB 4.33Å |
| 328 | S | 76 | Confident | 74.3 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.8 | 175.2 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | A308 Q347 A348 K349 | A308-S328 WeakPolarHBondContact O-CA 3.46Å; S328-Q347 PolarHBondContact N-O 2.89Å; S328-A348 VanDerWaalsContact O-CA 3.31Å; S328-A348 WeakPolarHBondContact O-CA 3.43Å; S328-K349 PolarHBondContact O-N 3.08Å; S328-K349 VanDerWaalsContact O-N 3.13Å |
| 329 | K | 75 | Confident | 74.2 | Confident | 112 Ų | 112 | 57.7 Ų | 57.7 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -45.5 | 167.8 | -65.3 | -174.5 | -177.8 | -174.8 | 0 | 110.6 | A308 K309 K349 K350 | A308-K329 PolarHBondContact O-N 3.32Å; A308-K329 VanDerWaalsContact O-N 3.15Å; K309-K329 HydrophobicContact CG-CD 4.48Å; K309-K329 WeakPolarHBondContact O-CB 3.38Å; K329-K349 HydrophobicContact CG-CD 4.41Å; K329-K349 WeakPolarHBondContact O-CB 3.32Å; K329-K350 PolarHBondContact O-N 2.91Å; K329-K350 VanDerWaalsContact O-N 3.08Å |
| 330 | K | 73.2 | Confident | 74.1 | Confident | 100 Ų | 100 | 57.8 Ų | 57.8 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 122.4 | 170.1 | -170.7 | -179.9 | 179.5 | -174.6 | 0 | 108.7 | K309 K310 G311 K350 | K309-K330 PolarHBondContact O-N 2.86Å; K310-K330 VanDerWaalsContact CA-O 3.24Å; K310-K330 WeakPolarHBondContact CA-O 2.98Å; G311-K330 PolarHBondContact N-O 3.1Å; G311-K330 VanDerWaalsContact N-O 3.11Å; K330-K350 VanDerWaalsContact CA-O 3.25Å; K330-K350 WeakPolarHBondContact CA-O 3.27Å |
| 331 | G | 65.6 | Low | 73.8 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 12% | 0.124 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 162.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | G311 K350 G351 E352 | G311-G331 WeakPolarHBondContact O-CA 3.34Å; G331-K350 PolarHBondContact N-O 3.43Å; G331-K350 VanDerWaalsContact N-O 3.1Å; G331-G351 WeakPolarHBondContact O-CA 3.4Å; G331-E352 PolarHBondContact O-N 3.06Å |
| 332 | E | 68.9 | Low | 73.8 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 45% | 0.453 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.1 | -178.7 | -66.3 | 166.8 | -157.1 | 0 | 0 | 109.3 | G311 E312 G313 E352 | G311-E332 PolarHBondContact O-N 2.9Å; E312-E332 CarbonylContact C-O 3.53Å; E312-E332 WeakPolarHBondContact CA-O 3.37Å; E312-E332 HydrophobicContact CG-CB 4.32Å; G313-E332 PolarHBondContact N-O 3.13Å; E332-E352 WeakPolarHBondContact CA-O 3.45Å; E332-E352 HydrophobicContact CG-CB 4.36Å |
| 333 | G | 69.5 | Low | 73.7 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75 | 65.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G313 A314 E352 G353 | G313-G333 WeakPolarHBondContact CA-O 3.39Å; A314-G333 PolarHBondContact N-O 3.05Å; G333-E352 PolarHBondContact N-O 2.83Å; G333-G353 CarbonylContact C-O 3.55Å; G333-G353 WeakPolarHBondContact CA-O 3.42Å |
| 334 | A | 79.9 | Confident | 74 | Confident | 18 Ų | 18 | 52 Ų | 52 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A314 N326 N346 G353 A354 Q355 | A314-A334 CarbonylContact O-C 3.57Å; A314-A334 WeakPolarHBondContact O-CA 3.5Å; N326-A334 HydrophobicContact CB-CB 3.94Å; A334-N346 HydrophobicContact CB-CB 4.08Å; A334-G353 PolarHBondContact N-O 2.96Å; A334-A354 CarbonylContact O-C 3.57Å; A334-A354 WeakPolarHBondContact O-CA 3.36Å; A334-Q355 PolarHBondContact O-N 3.46Å |
| 335 | Q | 82.9 | Confident | 74 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.3 | -176.4 | -58.6 | -177.3 | -40 | 0 | 0 | 112.5 | A314 Q315 N316 Q355 | A314-Q335 PolarHBondContact O-N 3.49Å; Q315-Q335 CarbonylContact C-O 3.56Å; Q315-Q335 VanDerWaalsContact CA-O 3.26Å; Q315-Q335 WeakPolarHBondContact CA-O 3.43Å; Q315-Q335 HydrophobicContact CG-CB 4.25Å; N316-Q335 PolarHBondContact N-O 2.87Å; Q335-Q355 CarbonylContact C-O 3.44Å; Q335-Q355 VanDerWaalsContact CA-O 3.24Å; Q335-Q355 WeakPolarHBondContact CA-O 3.34Å; Q335-Q355 HydrophobicContact CG-CB 4.23Å |
| 336 | N | 82.1 | Confident | 73.9 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.7 | 167 | -56.5 | -52.9 | 0 | 0 | 0 | 109.6 | N316 A324 N326 N346 Q355 N356 Q357 | N316-N336 WeakPolarHBondContact CB-OD1 3.43Å; N316-N336 PolarHBondContact ND2-OD1 2.86Å; N316-N336 CarbonylContact O-C 3.5Å; N316-N336 WeakPolarHBondContact O-CA 3.34Å; A324-N336 HydrophobicContact CB-CB 4.12Å; A324-N336 PolarHBondContact O-ND2 2.83Å; N326-N336 PolarHBondContact ND2-OD1 3.13Å; N336-N346 PolarHBondContact ND2-OD1 2.85Å; N336-Q355 PolarHBondContact N-O 3.07Å; N336-N356 WeakPolarHBondContact CB-OD1 3.34Å; N336-N356 PolarHBondContact ND2-OD1 2.89Å; N336-N356 CarbonylContact O-C 3.57Å; N336-N356 WeakPolarHBondContact O-CA 3.35Å; N336-Q357 PolarHBondContact O-N 3.36Å |
| 337 | Q | 79.3 | Confident | 73.6 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.7 | 177.9 | -58.1 | -173.1 | 15.8 | 0 | 0 | 111 | N316 Q317 G318 Q357 | N316-Q337 PolarHBondContact O-N 2.79Å; Q317-Q337 CarbonylContact C-O 3.54Å; Q317-Q337 WeakPolarHBondContact CA-O 3.23Å; Q317-Q337 HydrophobicContact CG-CB 4.34Å; G318-Q337 PolarHBondContact N-O 3.46Å; Q337-Q357 CarbonylContact C-O 3.59Å; Q337-Q357 WeakPolarHBondContact CA-O 3.34Å; Q337-Q357 HydrophobicContact CG-CB 4.28Å |
| 338 | A | 72.4 | Confident | 73.2 | Confident | 29 Ų | 29 | 52 Ų | 52 | 24% | 0.24 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G318 Q357 A358 K359 | G318-A338 CarbonylContact O-C 3.56Å; G318-A338 VanDerWaalsContact O-CA 3.3Å; G318-A338 WeakPolarHBondContact O-CA 3.32Å; A338-Q357 PolarHBondContact N-O 3.38Å; A338-A358 CarbonylContact O-C 3.51Å; A338-A358 VanDerWaalsContact O-CA 3.29Å; A338-A358 WeakPolarHBondContact O-CA 3.34Å; A338-K359 PolarHBondContact O-N 2.85Å |
| 339 | K | 69 | Low | 73 | Confident | 127 Ų | 127 | 55.9 Ų | 55.9 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -80 | -35 | 172.2 | -170.4 | 178.8 | -179.6 | 178.3 | 0 | 112.2 | G318 K319 K359 K360 | G318-K339 PolarHBondContact O-N 2.9Å; K319-K339 WeakPolarHBondContact O-CB 3.44Å; K339-K359 HydrophobicContact CG-CB 4.46Å; K339-K359 HydrophobicContact CG-CD 4.18Å; K339-K359 WeakPolarHBondContact O-CB 3.39Å; K339-K360 PolarHBondContact O-N 2.97Å |
| 340 | K | 68.3 | Low | 72.8 | Confident | 125 Ų | 125 | 56.4 Ų | 56.4 | 54% | 0.543 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -148.6 | 125.5 | 169.5 | -168.3 | -174.3 | -178.8 | -165.8 | 0 | 106.9 | K319 K320 G321 K360 | K319-K340 PolarHBondContact O-N 3.46Å; K319-K340 VanDerWaalsContact O-N 3.14Å; K320-K340 VanDerWaalsContact CA-O 3.22Å; K320-K340 WeakPolarHBondContact CA-O 3.21Å; K320-K340 HydrophobicContact CG-CB 4.37Å; G321-K340 PolarHBondContact N-O 2.87Å; K340-K360 WeakPolarHBondContact CA-O 3.24Å |
| 341 | G | 62.2 | Low | 72.3 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | trans | 167.4 | 157.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | G321 K360 G361 | G321-G341 WeakPolarHBondContact O-CA 3.41Å; G341-K360 PolarHBondContact N-O 3.47Å; G341-K360 VanDerWaalsContact N-O 3.16Å; G341-G361 WeakPolarHBondContact O-CA 3.41Å | ||
| 342 | E | 63 | Low | 72.3 | Confident | 102 Ų | 102 | 56.8 Ų | 56.8 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -105.9 | 146.5 | 177.8 | -63.8 | 175.7 | -168.7 | 0 | 0 | 110.6 | G321 E322 G323 E362 | G321-E342 PolarHBondContact O-N 2.92Å; E322-E342 WeakPolarHBondContact CA-O 3.39Å; E322-E342 HydrophobicContact CG-CB 4.29Å; G323-E342 PolarHBondContact N-O 3.37Å; G323-E342 VanDerWaalsContact N-O 3.07Å; E342-E362 WeakPolarHBondContact CA-O 3.39Å; E342-E362 HydrophobicContact CG-CB 4.33Å |
| 343 | G | 64.9 | Low | 72.2 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | trans | 77.9 | 69.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | G323 A324 E362 G363 | G323-G343 CarbonylContact C-O 3.56Å; G323-G343 VanDerWaalsContact CA-O 3.31Å; G323-G343 WeakPolarHBondContact CA-O 3.24Å; G323-G343 PolarHBondContact N-O 2.88Å; A324-G343 PolarHBondContact N-O 3.49Å; A324-G343 VanDerWaalsContact N-O 3.12Å; G343-E362 PolarHBondContact N-O 2.95Å; G343-G363 WeakPolarHBondContact CA-O 3.25Å | ||
| 344 | G | 72.5 | Confident | 72.5 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A324 N356 A364 Q365 | A324-G344 CarbonylContact O-C 3.51Å; A324-G344 WeakPolarHBondContact O-CA 3.41Å; G344-N356 PolarHBondContact O-ND2 2.98Å; G344-A364 CarbonylContact O-C 3.55Å; G344-A364 WeakPolarHBondContact O-CA 3.5Å; G344-Q365 PolarHBondContact O-N 2.94Å |
| 345 | Q | 79.5 | Confident | 72.4 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 23% | 0.229 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124 | 177.5 | -57.6 | -174.4 | -18.6 | 0 | 0 | 112.6 | A324 Q325 N326 Q365 | A324-Q345 PolarHBondContact O-N 3.24Å; Q325-Q345 CarbonylContact C-O 3.55Å; Q325-Q345 VanDerWaalsContact CA-O 3.24Å; Q325-Q345 WeakPolarHBondContact CA-O 3.25Å; Q325-Q345 HydrophobicContact CG-CB 4.15Å; N326-Q345 PolarHBondContact N-O 3.07Å; Q345-Q365 CarbonylContact C-O 3.57Å; Q345-Q365 WeakPolarHBondContact CA-O 3.28Å; Q345-Q365 HydrophobicContact CG-CB 4.24Å |
| 346 | N | 81.2 | Confident | 72.1 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126 | 169.3 | -56.3 | -54 | 0 | 0 | 0 | 110.3 | N326 A334 N336 A354 N356 Q365 N366 Q367 | N326-N346 WeakPolarHBondContact CB-OD1 3.38Å; N326-N346 PolarHBondContact ND2-OD1 3.11Å; N326-N346 CarbonylContact O-C 3.57Å; N326-N346 WeakPolarHBondContact O-CA 3.21Å; A334-N346 HydrophobicContact CB-CB 4.08Å; N336-N346 PolarHBondContact ND2-OD1 2.85Å; N346-A354 HydrophobicContact CB-CB 3.92Å; N346-N356 PolarHBondContact ND2-OD1 3.5Å; N346-Q365 PolarHBondContact N-O 2.81Å; N346-N366 VanDerWaalsContact CB-OD1 3.32Å; N346-N366 WeakPolarHBondContact CB-OD1 3.34Å; N346-N366 PolarHBondContact ND2-OD1 3.22Å; N346-N366 CarbonylContact O-C 3.57Å; N346-N366 VanDerWaalsContact O-CA 3.29Å; N346-N366 WeakPolarHBondContact O-CA 3.29Å; N346-Q367 PolarHBondContact O-N 3.49Å |
| 347 | Q | 78.4 | Confident | 71.8 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.2 | 177.2 | -59.3 | -173.5 | 14.6 | 0 | 0 | 111.2 | N326 Q327 S328 Q367 | N326-Q347 PolarHBondContact O-N 3.48Å; Q327-Q347 CarbonylContact C-O 3.46Å; Q327-Q347 WeakPolarHBondContact CA-O 3.38Å; Q327-Q347 HydrophobicContact CG-CB 4.33Å; S328-Q347 PolarHBondContact N-O 2.89Å; Q347-Q367 CarbonylContact C-O 3.57Å; Q347-Q367 WeakPolarHBondContact CA-O 3.36Å; Q347-Q367 HydrophobicContact CG-CB 4.28Å |
| 348 | A | 74.2 | Confident | 71.3 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 135.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S328 Q367 A368 K369 | S328-A348 VanDerWaalsContact O-CA 3.31Å; S328-A348 WeakPolarHBondContact O-CA 3.43Å; A348-Q367 PolarHBondContact N-O 2.9Å; A348-A368 VanDerWaalsContact O-CA 3.31Å; A348-A368 WeakPolarHBondContact O-CA 3.29Å; A348-K369 PolarHBondContact O-N 3.36Å; A348-K369 VanDerWaalsContact O-N 3.07Å |
| 349 | K | 71.5 | Confident | 71.1 | Confident | 111 Ų | 111 | 57.1 Ų | 57.1 | 48% | 0.483 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -39.2 | 168 | -65 | -173.9 | -176.6 | -173.7 | 0 | 111.6 | S328 K329 K369 K370 | S328-K349 PolarHBondContact O-N 3.08Å; S328-K349 VanDerWaalsContact O-N 3.13Å; K329-K349 HydrophobicContact CG-CD 4.41Å; K329-K349 WeakPolarHBondContact O-CB 3.32Å; K349-K369 HydrophobicContact CG-CD 4.38Å; K349-K369 WeakPolarHBondContact O-CB 2.89Å; K349-K370 PolarHBondContact O-N 3.47Å |
| 350 | K | 70.1 | Confident | 70.9 | Confident | 123 Ų | 123 | 56.4 Ų | 56.4 | 54% | 0.535 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 121.2 | 171 | -172.4 | 179 | 180 | -178 | 0 | 108.2 | K329 K330 G331 K370 | K329-K350 PolarHBondContact O-N 2.91Å; K329-K350 VanDerWaalsContact O-N 3.08Å; K330-K350 VanDerWaalsContact CA-O 3.25Å; K330-K350 WeakPolarHBondContact CA-O 3.27Å; G331-K350 PolarHBondContact N-O 3.43Å; G331-K350 VanDerWaalsContact N-O 3.1Å; K350-K370 VanDerWaalsContact CA-O 3.31Å; K350-K370 WeakPolarHBondContact CA-O 3.45Å; K350-K370 HydrophobicContact CG-CB 4.49Å |
| 351 | G | 63.9 | Low | 70.6 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 16% | 0.155 | 27% | 0.272 | C | S | . | . | trans | 178.3 | 157.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G331 K370 G371 | G331-G351 WeakPolarHBondContact O-CA 3.4Å; G351-K370 PolarHBondContact N-O 3.2Å; G351-G371 WeakPolarHBondContact O-CA 3.34Å | ||
| 352 | E | 65.8 | Low | 70.6 | Confident | 104 Ų | 104 | 55 Ų | 55 | 49% | 0.486 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -114.4 | 146.2 | 178.6 | -69.3 | 165.5 | -156.5 | 0 | 0 | 110 | G331 E332 G333 E372 | G331-E352 PolarHBondContact O-N 3.06Å; E332-E352 WeakPolarHBondContact CA-O 3.45Å; E332-E352 HydrophobicContact CG-CB 4.36Å; G333-E352 PolarHBondContact N-O 2.83Å; E352-E372 WeakPolarHBondContact CA-O 3.34Å; E352-E372 HydrophobicContact CG-CB 4.39Å |
| 353 | G | 66.8 | Low | 70.6 | Confident | 25 Ų | 25 | 51.3 Ų | 51.3 | 26% | 0.258 | 28% | 0.275 | S | S | . | . | trans | 76.5 | 63.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | G333 A334 E372 G373 | G333-G353 CarbonylContact C-O 3.55Å; G333-G353 WeakPolarHBondContact CA-O 3.42Å; A334-G353 PolarHBondContact N-O 2.96Å; G353-E372 PolarHBondContact N-O 3.3Å; G353-G373 WeakPolarHBondContact CA-O 3.35Å | ||
| 354 | A | 74.9 | Confident | 71 | Confident | 17 Ų | 17 | 51 Ų | 51 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 117.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | A334 N346 N366 G373 V374 Q375 | A334-A354 CarbonylContact O-C 3.57Å; A334-A354 WeakPolarHBondContact O-CA 3.36Å; N346-A354 HydrophobicContact CB-CB 3.92Å; A354-N366 HydrophobicContact CB-CB 4.29Å; A354-G373 PolarHBondContact N-O 3.26Å; A354-V374 HydrophobicContact CB-CG1 4.48Å; A354-V374 WeakPolarHBondContact O-CA 3.25Å; A354-Q375 PolarHBondContact O-N 3.01Å |
| 355 | Q | 78.3 | Confident | 71.1 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.7 | -177.2 | -56.7 | -175.7 | -39.6 | 0 | 0 | 112.8 | A334 Q335 N336 Q375 | A334-Q355 PolarHBondContact O-N 3.46Å; Q335-Q355 CarbonylContact C-O 3.44Å; Q335-Q355 VanDerWaalsContact CA-O 3.24Å; Q335-Q355 WeakPolarHBondContact CA-O 3.34Å; Q335-Q355 HydrophobicContact CG-CB 4.23Å; N336-Q355 PolarHBondContact N-O 3.07Å; Q355-Q375 CarbonylContact C-O 3.52Å; Q355-Q375 VanDerWaalsContact CA-O 3.23Å; Q355-Q375 WeakPolarHBondContact CA-O 3.36Å; Q355-Q375 HydrophobicContact CG-CB 4.19Å; Q355-Q375 VanDerWaalsContact NE2-OE1 3.11Å |
| 356 | N | 76.9 | Confident | 71 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.9 | 167 | -59.4 | -50.3 | 0 | 0 | 0 | 109.6 | N336 G344 N346 A364 N366 Q375 N376 Q377 | N336-N356 WeakPolarHBondContact CB-OD1 3.34Å; N336-N356 PolarHBondContact ND2-OD1 2.89Å; N336-N356 CarbonylContact O-C 3.57Å; N336-N356 WeakPolarHBondContact O-CA 3.35Å; G344-N356 PolarHBondContact O-ND2 2.98Å; N346-N356 PolarHBondContact ND2-OD1 3.5Å; N356-A364 HydrophobicContact CB-CB 3.8Å; N356-N366 PolarHBondContact ND2-ND2 3.07Å; N356-N366 PolarHBondContact ND2-OD1 3.08Å; N356-Q375 PolarHBondContact N-O 2.93Å; N356-N376 WeakPolarHBondContact CB-OD1 3.37Å; N356-N376 PolarHBondContact ND2-OD1 3.17Å; N356-N376 VanDerWaalsContact ND2-OD1 3.13Å; N356-N376 CarbonylContact O-C 3.46Å; N356-N376 WeakPolarHBondContact O-CA 2.89Å; N356-Q377 PolarHBondContact O-N 2.92Å |
| 357 | Q | 75 | Confident | 70.6 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 123.4 | 176.8 | -57.1 | -171.4 | 14 | 0 | 0 | 111 | N336 Q337 A338 Q377 | N336-Q357 PolarHBondContact O-N 3.36Å; Q337-Q357 CarbonylContact C-O 3.59Å; Q337-Q357 WeakPolarHBondContact CA-O 3.34Å; Q337-Q357 HydrophobicContact CG-CB 4.28Å; A338-Q357 PolarHBondContact N-O 3.38Å; Q357-Q377 VanDerWaalsContact CA-O 3.32Å; Q357-Q377 WeakPolarHBondContact CA-O 3.37Å; Q357-Q377 HydrophobicContact CG-CB 4.26Å |
| 358 | A | 69.4 | Low | 70.2 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 21% | 0.207 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A338 Q377 A378 K379 | A338-A358 CarbonylContact O-C 3.51Å; A338-A358 VanDerWaalsContact O-CA 3.29Å; A338-A358 WeakPolarHBondContact O-CA 3.34Å; A358-Q377 PolarHBondContact N-O 2.87Å; A358-A378 WeakPolarHBondContact O-CA 3.42Å; A358-A378 WeakPolarHBondContact O-CB 3.32Å; A358-K379 PolarHBondContact O-N 3.14Å; A358-K379 VanDerWaalsContact O-N 3.15Å |
| 359 | K | 66.6 | Low | 69.8 | Low | 110 Ų | 110 | 55 Ų | 55 | 48% | 0.478 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -78.2 | -33.6 | 171.1 | -175.8 | 175.9 | -174.5 | 177.5 | 0 | 111.9 | A338 K339 K379 K380 | A338-K359 PolarHBondContact O-N 2.85Å; K339-K359 HydrophobicContact CG-CB 4.46Å; K339-K359 HydrophobicContact CG-CD 4.18Å; K339-K359 WeakPolarHBondContact O-CB 3.39Å; K359-K379 HydrophobicContact CG-CB 4.28Å; K359-K379 HydrophobicContact CG-CD 4.16Å; K359-K380 PolarHBondContact O-N 3.37Å |
| 360 | K | 65.3 | Low | 69.6 | Low | 113 Ų | 113 | 55.6 Ų | 55.6 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -150.9 | 128.8 | 169.6 | -71.9 | -172.8 | 175.8 | -169.5 | 0 | 107.7 | K339 K340 G341 K380 | K339-K360 PolarHBondContact O-N 2.97Å; K340-K360 WeakPolarHBondContact CA-O 3.24Å; G341-K360 PolarHBondContact N-O 3.47Å; G341-K360 VanDerWaalsContact N-O 3.16Å; K360-K380 HydrophobicContact CG-CB 4.25Å |
| 361 | G | 61.5 | Low | 69.1 | Low | 15 Ų | 15 | 50.7 Ų | 50.7 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | trans | 166.5 | 158.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G341 G381 V382 | G341-G361 WeakPolarHBondContact O-CA 3.41Å; G361-G381 VanDerWaalsContact O-O 3.11Å; G361-V382 WeakPolarHBondContact O-CG2 2.85Å | ||
| 362 | E | 62.1 | Low | 69 | Low | 96 Ų | 96 | 54.4 Ų | 54.4 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -111.6 | 155.9 | 178.9 | -68.4 | 170.6 | -160.8 | 0 | 0 | 111.3 | E342 G343 | E342-E362 WeakPolarHBondContact CA-O 3.39Å; E342-E362 HydrophobicContact CG-CB 4.33Å; G343-E362 PolarHBondContact N-O 2.95Å |
| 363 | G | 64.3 | Low | 68.9 | Low | 24 Ų | 24 | 51.1 Ų | 51.1 | 25% | 0.247 | 28% | 0.277 | C | S | . | . | trans | 76.2 | 44.1 | 159 | 0 | 0 | 0 | 0 | 0 | 117.8 | G343 Q365 E383 | G343-G363 WeakPolarHBondContact CA-O 3.25Å; G363-Q365 PolarHBondContact O-N 3.32Å; G363-E383 PolarHBondContact N-O 3.06Å; G363-E383 VanDerWaalsContact N-O 3.1Å | ||
| 364 | A | 72.3 | Confident | 69 | Low | 18 Ų | 18 | 50.4 Ų | 50.4 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | trans | -78.3 | 117.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | G344 N356 N376 A385 Q386 | G344-A364 CarbonylContact O-C 3.55Å; G344-A364 WeakPolarHBondContact O-CA 3.5Å; N356-A364 HydrophobicContact CB-CB 3.8Å; A364-N376 HydrophobicContact CB-CB 4.31Å; A364-A385 CarbonylContact O-C 3.55Å; A364-A385 VanDerWaalsContact O-CA 3.29Å; A364-A385 WeakPolarHBondContact O-CA 3.35Å; A364-Q386 PolarHBondContact O-N 3.1Å | ||
| 365 | Q | 75.1 | Confident | 68.9 | Low | 51 Ų | 51 | 51 Ų | 51 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.8 | 179.5 | -58.8 | -177.8 | -37.5 | 0 | 0 | 111.9 | G344 Q345 N346 G363 Q386 | G344-Q365 PolarHBondContact O-N 2.94Å; Q345-Q365 CarbonylContact C-O 3.57Å; Q345-Q365 WeakPolarHBondContact CA-O 3.28Å; Q345-Q365 HydrophobicContact CG-CB 4.24Å; N346-Q365 PolarHBondContact N-O 2.81Å; G363-Q365 PolarHBondContact O-N 3.32Å; Q365-Q386 CarbonylContact C-O 3.57Å; Q365-Q386 VanDerWaalsContact CA-O 3.24Å; Q365-Q386 WeakPolarHBondContact CA-O 3.43Å; Q365-Q386 HydrophobicContact CG-CB 4.22Å |
| 366 | N | 76.9 | Confident | 68.7 | Low | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.8 | 171.9 | -62 | -51.7 | 0 | 0 | 0 | 110 | N346 A354 N356 V374 N376 Q386 N387 Q388 | N346-N366 VanDerWaalsContact CB-OD1 3.32Å; N346-N366 WeakPolarHBondContact CB-OD1 3.34Å; N346-N366 PolarHBondContact ND2-OD1 3.22Å; N346-N366 CarbonylContact O-C 3.57Å; N346-N366 VanDerWaalsContact O-CA 3.29Å; N346-N366 WeakPolarHBondContact O-CA 3.29Å; A354-N366 HydrophobicContact CB-CB 4.29Å; N356-N366 PolarHBondContact ND2-ND2 3.07Å; N356-N366 PolarHBondContact ND2-OD1 3.08Å; N366-V374 HydrophobicContact CB-CG1 3.15Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.35Å; N366-N376 PolarHBondContact ND2-OD1 2.85Å; N366-Q386 PolarHBondContact N-O 2.87Å; N366-N387 WeakPolarHBondContact CB-OD1 3.31Å; N366-N387 PolarHBondContact ND2-OD1 3.11Å; N366-N387 VanDerWaalsContact ND2-OD1 3.07Å; N366-N387 CarbonylContact O-C 3.48Å; N366-N387 VanDerWaalsContact O-CA 3.29Å; N366-N387 WeakPolarHBondContact O-CA 3.37Å; N366-Q388 PolarHBondContact O-N 3.07Å |
| 367 | Q | 73.9 | Confident | 68.5 | Low | 68 Ų | 68 | 51.7 Ų | 51.7 | 32% | 0.318 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 121.6 | 178.4 | -56.1 | -173 | 11.1 | 0 | 0 | 110.6 | N346 Q347 A348 Q388 | N346-Q367 PolarHBondContact O-N 3.49Å; Q347-Q367 CarbonylContact C-O 3.57Å; Q347-Q367 WeakPolarHBondContact CA-O 3.36Å; Q347-Q367 HydrophobicContact CG-CB 4.28Å; A348-Q367 PolarHBondContact N-O 2.9Å; Q367-Q388 CarbonylContact C-O 3.56Å; Q367-Q388 WeakPolarHBondContact CA-O 3.18Å; Q367-Q388 HydrophobicContact CG-CB 4.21Å |
| 368 | A | 68.6 | Low | 68 | Low | 16 Ų | 16 | 49.2 Ų | 49.2 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | A348 Q388 G389 K390 | A348-A368 VanDerWaalsContact O-CA 3.31Å; A348-A368 WeakPolarHBondContact O-CA 3.29Å; A368-Q388 PolarHBondContact N-O 3.04Å; A368-G389 VanDerWaalsContact O-CA 3.24Å; A368-G389 WeakPolarHBondContact O-CA 3.25Å; A368-K390 PolarHBondContact O-N 2.95Å |
| 369 | K | 66.7 | Low | 67.8 | Low | 103 Ų | 103 | 53.8 Ų | 53.8 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -76.3 | -36.1 | 172.1 | -66 | -178.7 | -178.1 | -178.9 | 0 | 111.8 | A348 K349 K390 K391 | A348-K369 PolarHBondContact O-N 3.36Å; A348-K369 VanDerWaalsContact O-N 3.07Å; K349-K369 HydrophobicContact CG-CD 4.38Å; K349-K369 WeakPolarHBondContact O-CB 2.89Å; K369-K390 HydrophobicContact CB-CD 4.47Å; K369-K390 HydrophobicContact CG-CD 4.31Å; K369-K390 WeakPolarHBondContact O-CB 3.24Å; K369-K391 PolarHBondContact O-N 2.95Å |
| 370 | K | 66.4 | Low | 67.4 | Low | 123 Ų | 123 | 54.4 Ų | 54.4 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -145.5 | 129.2 | 171.9 | -78.2 | -174.4 | 177.1 | -179.6 | 0 | 108.4 | K349 K350 G351 K391 | K349-K370 PolarHBondContact O-N 3.47Å; K350-K370 VanDerWaalsContact CA-O 3.31Å; K350-K370 WeakPolarHBondContact CA-O 3.45Å; K350-K370 HydrophobicContact CG-CB 4.49Å; G351-K370 PolarHBondContact N-O 3.2Å; K370-K391 WeakPolarHBondContact CA-O 3.44Å; K370-K391 HydrophobicContact CG-CB 4.4Å |
| 371 | G | 61.3 | Low | 66.8 | Low | 20 Ų | 20 | 51.3 Ų | 51.3 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | trans | 163.7 | 162.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | G351 K391 G392 | G351-G371 WeakPolarHBondContact O-CA 3.34Å; G371-K391 PolarHBondContact N-O 2.88Å; G371-G392 WeakPolarHBondContact O-CA 3.12Å | ||
| 372 | E | 61.9 | Low | 66.3 | Low | 93 Ų | 93 | 51.4 Ų | 51.4 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -115.1 | 153.7 | 175.6 | -65.8 | 172.2 | -165.9 | 0 | 0 | 110.5 | E352 G353 E393 | E352-E372 WeakPolarHBondContact CA-O 3.34Å; E352-E372 HydrophobicContact CG-CB 4.39Å; G353-E372 PolarHBondContact N-O 3.3Å; E372-E393 HydrophobicContact CG-CB 4.19Å |
| 373 | G | 63.3 | Low | 65.9 | Low | 34 Ų | 34 | 51.8 Ų | 51.8 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | trans | 77.2 | 62 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G353 A354 E393 | G353-G373 WeakPolarHBondContact CA-O 3.35Å; A354-G373 PolarHBondContact N-O 3.26Å; G373-E393 PolarHBondContact N-O 2.96Å | ||
| 374 | V | 69.1 | Low | 65.6 | Low | 10 Ų | 10 | 52.2 Ų | 52.2 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119.6 | 171.5 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | A354 N366 N387 A394 N395 Q396 | A354-V374 HydrophobicContact CB-CG1 4.48Å; A354-V374 WeakPolarHBondContact O-CA 3.25Å; N366-V374 HydrophobicContact CB-CG1 3.15Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.35Å; V374-N387 HydrophobicContact CB-CB 4.45Å; V374-N387 HydrophobicContact CG1-CB 3.79Å; V374-N387 VanDerWaalsContact CG1-CG 3.43Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.27Å; V374-A394 PolarHBondContact N-O 2.86Å; V374-N395 WeakPolarHBondContact CB-OD1 3.28Å; V374-N395 WeakPolarHBondContact O-CA 3.44Å; V374-Q396 PolarHBondContact O-N 3.05Å |
| 375 | Q | 72.6 | Confident | 65.4 | Low | 31 Ų | 31 | 51.7 Ų | 51.7 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.3 | -173.8 | -164.6 | 176.6 | 21.4 | 0 | 0 | 113.3 | A354 Q355 N356 Q377 Q396 | A354-Q375 PolarHBondContact O-N 3.01Å; Q355-Q375 CarbonylContact C-O 3.52Å; Q355-Q375 VanDerWaalsContact CA-O 3.23Å; Q355-Q375 WeakPolarHBondContact CA-O 3.36Å; Q355-Q375 HydrophobicContact CG-CB 4.19Å; Q355-Q375 VanDerWaalsContact NE2-OE1 3.11Å; N356-Q375 PolarHBondContact N-O 2.93Å; Q375-Q377 VanDerWaalsContact CD-NE2 3.3Å; Q375-Q377 HydrophobicContact CG-CG 4.02Å; Q375-Q396 CarbonylContact C-O 3.54Å; Q375-Q396 VanDerWaalsContact CA-O 3.27Å; Q375-Q396 WeakPolarHBondContact CA-O 3.42Å; Q375-Q396 HydrophobicContact CG-CB 4.11Å |
| 376 | N | 73.9 | Confident | 65.1 | Low | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.6 | 165.7 | -57.6 | -51.7 | 0 | 0 | 0 | 109.4 | N356 A364 N366 A385 N387 Q396 N397 Q398 | N356-N376 WeakPolarHBondContact CB-OD1 3.37Å; N356-N376 PolarHBondContact ND2-OD1 3.17Å; N356-N376 VanDerWaalsContact ND2-OD1 3.13Å; N356-N376 CarbonylContact O-C 3.46Å; N356-N376 WeakPolarHBondContact O-CA 2.89Å; A364-N376 HydrophobicContact CB-CB 4.31Å; N366-N376 PolarHBondContact ND2-OD1 2.85Å; N376-A385 HydrophobicContact CB-CB 4.15Å; N376-N387 PolarHBondContact ND2-ND2 3.34Å; N376-N387 PolarHBondContact ND2-OD1 3.41Å; N376-Q396 PolarHBondContact N-O 2.95Å; N376-N397 WeakPolarHBondContact CB-OD1 3.02Å; N376-N397 PolarHBondContact ND2-OD1 3.28Å; N376-N397 CarbonylContact O-C 3.58Å; N376-N397 WeakPolarHBondContact O-CA 3.31Å; N376-Q398 PolarHBondContact O-N 3.24Å |
| 377 | Q | 71.8 | Confident | 64.9 | Low | 62 Ų | 62 | 51.6 Ų | 51.6 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.8 | 175.3 | -59.8 | -174.2 | 12.4 | 0 | 0 | 111 | N356 Q357 A358 Q375 Q398 | N356-Q377 PolarHBondContact O-N 2.92Å; Q357-Q377 VanDerWaalsContact CA-O 3.32Å; Q357-Q377 WeakPolarHBondContact CA-O 3.37Å; Q357-Q377 HydrophobicContact CG-CB 4.26Å; A358-Q377 PolarHBondContact N-O 2.87Å; Q375-Q377 VanDerWaalsContact CD-NE2 3.3Å; Q375-Q377 HydrophobicContact CG-CG 4.02Å; Q377-Q398 CarbonylContact C-O 3.49Å; Q377-Q398 WeakPolarHBondContact CA-O 3.36Å; Q377-Q398 HydrophobicContact CG-CB 4.32Å |
| 378 | A | 65.7 | Low | 64.7 | Low | 14 Ų | 14 | 51.7 Ų | 51.7 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 147 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | A358 V382 Q398 A399 K400 | A358-A378 WeakPolarHBondContact O-CA 3.42Å; A358-A378 WeakPolarHBondContact O-CB 3.32Å; A378-V382 HydrophobicContact CB-CB 4.3Å; A378-V382 HydrophobicContact CB-CG2 2.99Å; A378-Q398 PolarHBondContact N-O 3.38Å; A378-A399 WeakPolarHBondContact O-CA 2.86Å; A378-K400 PolarHBondContact O-N 3.08Å; A378-K400 VanDerWaalsContact O-N 3.13Å |
| 379 | K | 63.9 | Low | 64.5 | Low | 121 Ų | 121 | 51.6 Ų | 51.6 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -91.2 | -28.7 | -175.7 | -68.1 | -179.2 | 179.5 | 176 | 0 | 113.8 | A358 K359 K400 | A358-K379 PolarHBondContact O-N 3.14Å; A358-K379 VanDerWaalsContact O-N 3.15Å; K359-K379 HydrophobicContact CG-CB 4.28Å; K359-K379 HydrophobicContact CG-CD 4.16Å; K379-K400 WeakPolarHBondContact O-CB 3.25Å |
| 380 | K | 59.2 | Low | 64.3 | Low | 123 Ų | 123 | 51.7 Ų | 51.7 | 54% | 0.535 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -156.3 | 134.6 | 177.4 | -73.2 | -170 | 178.1 | -173.7 | 0 | 110.7 | K359 K360 K401 | K359-K380 PolarHBondContact O-N 3.37Å; K360-K380 HydrophobicContact CG-CB 4.25Å; K380-K401 CarbonylContact C-O 3.55Å |
| 381 | G | 52.7 | Low | 64.1 | Low | 47 Ų | 47 | 51.9 Ų | 51.9 | 49% | 0.485 | 28% | 0.281 | S | S | . | . | trans | 60.2 | 72.1 | 161 | 0 | 0 | 0 | 0 | 0 | 112.8 | G361 K401 | G361-G381 VanDerWaalsContact O-O 3.11Å; G381-K401 PolarHBondContact N-O 2.88Å | ||
| 382 | V | 50.2 | Low | 63.8 | Low | 17 Ų | 17 | 51.8 Ų | 51.8 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | trans | -112.5 | 124 | 168.9 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | G361 A378 A385 G402 E403 | G361-V382 WeakPolarHBondContact O-CG2 2.85Å; A378-V382 HydrophobicContact CB-CB 4.3Å; A378-V382 HydrophobicContact CB-CG2 2.99Å; V382-A385 HydrophobicContact CG1-CB 4.2Å; V382-G402 CarbonylContact O-C 3.49Å; V382-G402 WeakPolarHBondContact O-CA 3.25Å; V382-E403 PolarHBondContact O-N 3.03Å | ||
| 383 | E | 54.4 | Low | 63.6 | Low | 104 Ų | 104 | 52.1 Ų | 52.1 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | trans | -102.9 | 143.3 | 155.4 | -77.5 | 165.3 | -149.2 | 0 | 0 | 107.2 | G363 E403 | G363-E383 PolarHBondContact N-O 3.06Å; G363-E383 VanDerWaalsContact N-O 3.1Å; E383-E403 HydrophobicContact CG-CB 4Å; E383-E403 HydrophobicContact CG-CG 4.44Å | ||
| 384 | G | 57.4 | Low | 63.4 | Low | 34 Ų | 34 | 52 Ų | 52 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | trans | 80.7 | 30 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q386 | G384-Q386 PolarHBondContact O-N 3Å; G384-Q386 VanDerWaalsContact O-N 3.17Å | ||
| 385 | A | 68.1 | Low | 63.2 | Low | 6 Ų | 6 | 52 Ų | 52 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 111 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | A364 N376 V382 G405 Q406 | A364-A385 CarbonylContact O-C 3.55Å; A364-A385 VanDerWaalsContact O-CA 3.29Å; A364-A385 WeakPolarHBondContact O-CA 3.35Å; N376-A385 HydrophobicContact CB-CB 4.15Å; V382-A385 HydrophobicContact CG1-CB 4.2Å; A385-G405 CarbonylContact O-C 3.51Å; A385-G405 VanDerWaalsContact O-CA 3.25Å; A385-G405 WeakPolarHBondContact O-CA 3.29Å; A385-Q406 PolarHBondContact O-N 3.33Å |
| 386 | Q | 69.4 | Low | 63.1 | Low | 49 Ų | 49 | 53.3 Ų | 53.3 | 23% | 0.229 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.3 | -176.7 | -59.8 | -176.7 | -49.1 | 0 | 0 | 111.9 | A364 Q365 N366 G384 Q406 | A364-Q386 PolarHBondContact O-N 3.1Å; Q365-Q386 CarbonylContact C-O 3.57Å; Q365-Q386 VanDerWaalsContact CA-O 3.24Å; Q365-Q386 WeakPolarHBondContact CA-O 3.43Å; Q365-Q386 HydrophobicContact CG-CB 4.22Å; N366-Q386 PolarHBondContact N-O 2.87Å; G384-Q386 PolarHBondContact O-N 3Å; G384-Q386 VanDerWaalsContact O-N 3.17Å; Q386-Q406 VanDerWaalsContact CA-O 3.25Å; Q386-Q406 WeakPolarHBondContact CA-O 3.47Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å |
| 387 | N | 73 | Confident | 62.9 | Low | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.5 | 171.2 | -50.6 | -55.6 | 0 | 0 | 0 | 110.8 | N366 V374 N376 N395 N397 Q406 N407 Q408 | N366-N387 WeakPolarHBondContact CB-OD1 3.31Å; N366-N387 PolarHBondContact ND2-OD1 3.11Å; N366-N387 VanDerWaalsContact ND2-OD1 3.07Å; N366-N387 CarbonylContact O-C 3.48Å; N366-N387 VanDerWaalsContact O-CA 3.29Å; N366-N387 WeakPolarHBondContact O-CA 3.37Å; V374-N387 HydrophobicContact CB-CB 4.45Å; V374-N387 HydrophobicContact CG1-CB 3.79Å; V374-N387 VanDerWaalsContact CG1-CG 3.43Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.27Å; N376-N387 PolarHBondContact ND2-ND2 3.34Å; N376-N387 PolarHBondContact ND2-OD1 3.41Å; N387-N395 HydrophobicContact CB-CB 4.07Å; N387-N395 WeakPolarHBondContact CB-ND2 3.37Å; N387-N397 PolarHBondContact ND2-OD1 2.78Å; N387-Q406 PolarHBondContact N-O 2.91Å; N387-N407 WeakPolarHBondContact CB-OD1 3.35Å; N387-N407 PolarHBondContact N-OD1 2.91Å; N387-N407 PolarHBondContact ND2-OD1 2.93Å; N387-N407 CarbonylContact O-C 3.54Å; N387-N407 VanDerWaalsContact O-CA 3.29Å; N387-N407 WeakPolarHBondContact O-CA 3.06Å; N387-Q408 PolarHBondContact O-N 3.41Å |
| 388 | Q | 69.1 | Low | 62.7 | Low | 70 Ų | 70 | 53.5 Ų | 53.5 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.2 | 179 | -59.1 | -174.7 | 11 | 0 | 0 | 111.6 | N366 Q367 A368 Q408 | N366-Q388 PolarHBondContact O-N 3.07Å; Q367-Q388 CarbonylContact C-O 3.56Å; Q367-Q388 WeakPolarHBondContact CA-O 3.18Å; Q367-Q388 HydrophobicContact CG-CB 4.21Å; A368-Q388 PolarHBondContact N-O 3.04Å; Q388-Q408 CarbonylContact C-O 3.55Å; Q388-Q408 WeakPolarHBondContact CA-O 3.33Å; Q388-Q408 HydrophobicContact CG-CB 4.36Å |
| 389 | G | 63.5 | Low | 62.6 | Low | 15 Ų | 15 | 54 Ų | 54 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | A368 Q408 T409 K410 | A368-G389 VanDerWaalsContact O-CA 3.24Å; A368-G389 WeakPolarHBondContact O-CA 3.25Å; G389-Q408 PolarHBondContact N-O 3.43Å; G389-T409 VanDerWaalsContact O-CA 3.26Å; G389-T409 WeakPolarHBondContact O-CA 3.08Å; G389-K410 PolarHBondContact O-N 3.09Å |
| 390 | K | 63.2 | Low | 62.4 | Low | 105 Ų | 105 | 53.9 Ų | 53.9 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -91.1 | -33.5 | 162.6 | -61.6 | -174 | 179.4 | -172.3 | 0 | 112.6 | A368 K369 K410 | A368-K390 PolarHBondContact O-N 2.95Å; K369-K390 HydrophobicContact CB-CD 4.47Å; K369-K390 HydrophobicContact CG-CD 4.31Å; K369-K390 WeakPolarHBondContact O-CB 3.24Å; K390-K410 HydrophobicContact CB-CD 4.48Å; K390-K410 HydrophobicContact CG-CD 4.26Å; K390-K410 WeakPolarHBondContact O-CB 3.36Å |
| 391 | K | 61.7 | Low | 62.3 | Low | 126 Ų | 126 | 54.2 Ų | 54.2 | 55% | 0.548 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -156.4 | 121.4 | 178 | -168.7 | -175.6 | -178.7 | -168.2 | 0 | 107.9 | K369 K370 G371 | K369-K391 PolarHBondContact O-N 2.95Å; K370-K391 WeakPolarHBondContact CA-O 3.44Å; K370-K391 HydrophobicContact CG-CB 4.4Å; G371-K391 PolarHBondContact N-O 2.88Å |
| 392 | G | 56.3 | Low | 62.3 | Low | 19 Ų | 19 | 53 Ų | 53 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | trans | 170.2 | 158.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G371 | G371-G392 WeakPolarHBondContact O-CA 3.12Š| ||
| 393 | E | 57.8 | Low | 62.5 | Low | 100 Ų | 100 | 57 Ų | 57 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -96.8 | 147.8 | 176.7 | -62.3 | 176.7 | -177.2 | 0 | 0 | 110.8 | E372 G373 | E372-E393 HydrophobicContact CG-CB 4.19Å; G373-E393 PolarHBondContact N-O 2.96Å |
| 394 | A | 57.7 | Low | 62.5 | Low | 30 Ų | 30 | 52.9 Ų | 52.9 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | trans | 50.9 | 92.2 | 164 | 0 | 0 | 0 | 0 | 0 | 117.3 | V374 | V374-A394 PolarHBondContact N-O 2.86Š| ||
| 395 | N | 66.6 | Low | 62.5 | Low | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 116.2 | 160 | -70.3 | -13.6 | 0 | 0 | 0 | 109.1 | V374 N387 N407 P415 Q416 | V374-N395 WeakPolarHBondContact CB-OD1 3.28Å; V374-N395 WeakPolarHBondContact O-CA 3.44Å; N387-N395 HydrophobicContact CB-CB 4.07Å; N387-N395 WeakPolarHBondContact CB-ND2 3.37Å; N395-N407 HydrophobicContact CB-CB 4.22Å; N395-P415 HydrophobicContact CB-CB 4.28Å; N395-P415 WeakPolarHBondContact O-CA 3.35Å; N395-P415 VanDerWaalsContact O-CB 3.25Å; N395-P415 WeakPolarHBondContact O-CB 3.31Å; N395-Q416 PolarHBondContact O-N 3.1Å; N395-Q416 VanDerWaalsContact O-N 3.1Å |
| 396 | Q | 69.4 | Low | 62.2 | Low | 57 Ų | 57 | 55 Ų | 55 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.9 | -179.6 | -66 | -171.2 | 22.5 | 0 | 0 | 111.8 | V374 Q375 N376 Q416 | V374-Q396 PolarHBondContact O-N 3.05Å; Q375-Q396 CarbonylContact C-O 3.54Å; Q375-Q396 VanDerWaalsContact CA-O 3.27Å; Q375-Q396 WeakPolarHBondContact CA-O 3.42Å; Q375-Q396 HydrophobicContact CG-CB 4.11Å; N376-Q396 PolarHBondContact N-O 2.95Å; Q396-Q416 WeakPolarHBondContact CA-O 3.49Å; Q396-Q416 HydrophobicContact CG-CB 4.33Å |
| 397 | N | 70.1 | Confident | 62 | Low | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.8 | 167.8 | -58 | -48.8 | 0 | 0 | 0 | 109.6 | N376 N387 G405 N407 Q416 N417 Q418 | N376-N397 WeakPolarHBondContact CB-OD1 3.02Å; N376-N397 PolarHBondContact ND2-OD1 3.28Å; N376-N397 CarbonylContact O-C 3.58Å; N376-N397 WeakPolarHBondContact O-CA 3.31Å; N387-N397 PolarHBondContact ND2-OD1 2.78Å; N397-G405 WeakPolarHBondContact ND2-CA 3.26Å; N397-N407 PolarHBondContact ND2-ND2 3.45Å; N397-N407 PolarHBondContact ND2-OD1 3.4Å; N397-Q416 PolarHBondContact N-O 2.93Å; N397-Q416 VanDerWaalsContact N-O 3.14Å; N397-N417 WeakPolarHBondContact CB-OD1 3.42Å; N397-N417 PolarHBondContact ND2-OD1 2.89Å; N397-N417 CarbonylContact O-C 3.51Å; N397-N417 VanDerWaalsContact O-CA 3.27Å; N397-N417 WeakPolarHBondContact O-CA 3.47Å; N397-Q418 PolarHBondContact O-N 2.88Å |
| 398 | Q | 68.1 | Low | 61.5 | Low | 62 Ų | 62 | 56.1 Ų | 56.1 | 29% | 0.29 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.9 | 176.4 | -61.5 | -172.6 | 12.6 | 0 | 0 | 110.4 | N376 Q377 A378 Q418 | N376-Q398 PolarHBondContact O-N 3.24Å; Q377-Q398 CarbonylContact C-O 3.49Å; Q377-Q398 WeakPolarHBondContact CA-O 3.36Å; Q377-Q398 HydrophobicContact CG-CB 4.32Å; A378-Q398 PolarHBondContact N-O 3.38Å; Q398-Q418 CarbonylContact C-O 3.56Å; Q398-Q418 WeakPolarHBondContact CA-O 3.43Å; Q398-Q418 HydrophobicContact CG-CB 4.29Å |
| 399 | A | 62.1 | Low | 61 | Low | 25 Ų | 25 | 53 Ų | 53 | 21% | 0.207 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A378 K401 Q418 G419 | A378-A399 WeakPolarHBondContact O-CA 2.86Å; A399-K401 VanDerWaalsContact C-N 3.31Å; A399-K401 PolarHBondContact O-N 3.21Å; A399-Q418 PolarHBondContact N-O 2.84Å; A399-G419 WeakPolarHBondContact O-CA 3.16Å |
| 400 | K | 59.9 | Low | 60.9 | Low | 118 Ų | 118 | 58.4 Ų | 58.4 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -69.1 | -30.5 | 174 | -71.4 | -176.1 | -179.7 | -174.7 | 0 | 112.5 | A378 K379 K420 | A378-K400 PolarHBondContact O-N 3.08Å; A378-K400 VanDerWaalsContact O-N 3.13Å; K379-K400 WeakPolarHBondContact O-CB 3.25Å; K400-K420 WeakPolarHBondContact O-CB 3.36Å |
| 401 | K | 58.4 | Low | 60.7 | Low | 131 Ų | 131 | 59.8 Ų | 59.8 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -156.7 | 125.2 | 172.2 | -73.4 | -171.4 | 177.2 | -172.5 | 0 | 107.2 | K380 G381 A399 | K380-K401 CarbonylContact C-O 3.55Å; G381-K401 PolarHBondContact N-O 2.88Å; A399-K401 VanDerWaalsContact C-N 3.31Å; A399-K401 PolarHBondContact O-N 3.21Å |
| 402 | G | 52.9 | Low | 60.7 | Low | 20 Ų | 20 | 54.8 Ų | 54.8 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170 | 165 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V382 | V382-G402 CarbonylContact O-C 3.49Å; V382-G402 WeakPolarHBondContact O-CA 3.25Å |
| 403 | E | 54.3 | Low | 60.9 | Low | 102 Ų | 102 | 59.1 Ų | 59.1 | 48% | 0.477 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 143.2 | 175.4 | -65.6 | -174 | -178.5 | 0 | 0 | 110.7 | V382 E383 | V382-E403 PolarHBondContact O-N 3.03Å; E383-E403 HydrophobicContact CG-CB 4Å; E383-E403 HydrophobicContact CG-CG 4.44Å |
| 404 | G | 53.7 | Low | 60.9 | Low | 18 Ų | 18 | 55 Ų | 55 | 19% | 0.186 | 28% | 0.28 | C | S | . | . | trans | 58.1 | 94.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | E423 | G404-E423 VanDerWaalsContact CA-O 3.26Å; G404-E423 WeakPolarHBondContact CA-O 2.96Å; G404-E423 PolarHBondContact N-O 2.81Å | ||
| 405 | G | 57.7 | Low | 61.1 | Low | 7 Ų | 7 | 53.7 Ų | 53.7 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 108.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | A385 N397 A424 | A385-G405 CarbonylContact O-C 3.51Å; A385-G405 VanDerWaalsContact O-CA 3.25Å; A385-G405 WeakPolarHBondContact O-CA 3.29Å; N397-G405 WeakPolarHBondContact ND2-CA 3.26Å; G405-A424 PolarHBondContact N-O 2.91Å |
| 406 | Q | 61.3 | Low | 61.1 | Low | 76 Ų | 76 | 55.4 Ų | 55.4 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.4 | 176.2 | -66.7 | 179.5 | -10.8 | 0 | 0 | 110.3 | A385 Q386 N387 | A385-Q406 PolarHBondContact O-N 3.33Å; Q386-Q406 VanDerWaalsContact CA-O 3.25Å; Q386-Q406 WeakPolarHBondContact CA-O 3.47Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å; N387-Q406 PolarHBondContact N-O 2.91Å |
| 407 | N | 65.5 | Low | 61 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119 | 179.4 | -65.9 | -48.5 | 0 | 0 | 0 | 109.4 | N387 N395 N397 P415 Q426 K427 | N387-N407 WeakPolarHBondContact CB-OD1 3.35Å; N387-N407 PolarHBondContact N-OD1 2.91Å; N387-N407 PolarHBondContact ND2-OD1 2.93Å; N387-N407 CarbonylContact O-C 3.54Å; N387-N407 VanDerWaalsContact O-CA 3.29Å; N387-N407 WeakPolarHBondContact O-CA 3.06Å; N395-N407 HydrophobicContact CB-CB 4.22Å; N397-N407 PolarHBondContact ND2-ND2 3.45Å; N397-N407 PolarHBondContact ND2-OD1 3.4Å; N407-P415 HydrophobicContact CB-CB 3.72Å; N407-P415 HydrophobicContact CB-CG 3.83Å; N407-P415 WeakPolarHBondContact ND2-CB 2.85Å; N407-Q426 PolarHBondContact N-O 3.08Å; N407-K427 WeakPolarHBondContact O-CG 3.39Å |
| 408 | Q | 62.5 | Low | 60.8 | Low | 75 Ų | 75 | 56 Ų | 56 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.6 | 177.6 | -63.3 | -178.1 | 13.8 | 0 | 0 | 109.4 | N387 Q388 G389 | N387-Q408 PolarHBondContact O-N 3.41Å; Q388-Q408 CarbonylContact C-O 3.55Å; Q388-Q408 WeakPolarHBondContact CA-O 3.33Å; Q388-Q408 HydrophobicContact CG-CB 4.36Å; G389-Q408 PolarHBondContact N-O 3.43Å |
| 409 | T | 58.5 | Low | 60.4 | Low | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 115 | 178.4 | -39.8 | 0 | 0 | 0 | 0 | 111.5 | G389 K411 K427 D429 | G389-T409 VanDerWaalsContact O-CA 3.26Å; G389-T409 WeakPolarHBondContact O-CA 3.08Å; T409-K411 WeakPolarHBondContact CG2-O 3.49Å; T409-K411 PolarHBondContact O-N 3.17Å; T409-K411 VanDerWaalsContact O-N 3.08Å; T409-K427 PolarHBondContact O-NZ 3.3Å; T409-K427 PolarHBondContact OG1-NZ 3Å; T409-D429 PolarHBondContact N-OD1 3.22Å; T409-D429 PolarHBondContact N-OD2 2.79Å; T409-D429 VanDerWaalsContact O-CB 3.28Å; T409-D429 WeakPolarHBondContact O-CB 3.46Å |
| 410 | K | 60.7 | Low | 60.3 | Low | 128 Ų | 128 | 58.1 Ų | 58.1 | 56% | 0.557 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -59.3 | -29.4 | -177.2 | -61.9 | -171 | 180 | -165.1 | 0 | 114.4 | G389 K390 D429 | G389-K410 PolarHBondContact O-N 3.09Å; K390-K410 HydrophobicContact CB-CD 4.48Å; K390-K410 HydrophobicContact CG-CD 4.26Å; K390-K410 WeakPolarHBondContact O-CB 3.36Å; K410-D429 PolarHBondContact N-OD1 3.28Å |
| 411 | K | 59.9 | Low | 60.2 | Low | 135 Ų | 135 | 58.1 Ų | 58.1 | 59% | 0.587 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -159.9 | 127.4 | 176 | -171.3 | 179.7 | -179.2 | -177 | 0 | 110.2 | T409 | T409-K411 WeakPolarHBondContact CG2-O 3.49Å; T409-K411 PolarHBondContact O-N 3.17Å; T409-K411 VanDerWaalsContact O-N 3.08Å |
| 412 | G | 60.5 | Low | 60 | Low | 21 Ų | 21 | 52.5 Ų | 52.5 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 152.7 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 413 | E | 60.3 | Low | 60.2 | Low | 110 Ų | 110 | 55.6 Ų | 55.6 | 51% | 0.514 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -60.7 | 145.3 | 168.2 | -64.4 | -169.4 | 157 | 0 | 0 | 110.6 | E433 | E413-E433 CarbonylContact C-O 3.52Å |
| 414 | G | 58 | Low | 60.1 | Low | 12 Ų | 12 | 52.1 Ų | 52.1 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 173 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E433 G434 | G414-E433 WeakPolarHBondContact CA-O 3.4Å; G414-E433 PolarHBondContact N-O 2.87Å; G414-G434 CarbonylContact C-O 3.47Å; G414-G434 WeakPolarHBondContact CA-O 3.41Å; G414-G434 PolarHBondContact N-O 2.89Å |
| 415 | P | 63.6 | Low | 60.5 | Low | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 149.9 | -172.4 | 32.6 | -39.3 | 0 | 0 | 0 | 112.5 | N395 N407 Q436 | N395-P415 HydrophobicContact CB-CB 4.28Å; N395-P415 WeakPolarHBondContact O-CA 3.35Å; N395-P415 VanDerWaalsContact O-CB 3.25Å; N395-P415 WeakPolarHBondContact O-CB 3.31Å; N407-P415 HydrophobicContact CB-CB 3.72Å; N407-P415 HydrophobicContact CB-CG 3.83Å; N407-P415 WeakPolarHBondContact ND2-CB 2.85Å; P415-Q436 PolarHBondContact O-N 2.73Å; P415-Q436 VanDerWaalsContact O-N 3.1Å |
| 416 | Q | 65.1 | Low | 60.7 | Low | 48 Ų | 48 | 55.9 Ų | 55.9 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 114 | 167.5 | -162.5 | -178.2 | -1 | 0 | 0 | 109.1 | N395 Q396 N397 Q418 Q436 | N395-Q416 PolarHBondContact O-N 3.1Å; N395-Q416 VanDerWaalsContact O-N 3.1Å; Q396-Q416 WeakPolarHBondContact CA-O 3.49Å; Q396-Q416 HydrophobicContact CG-CB 4.33Å; N397-Q416 PolarHBondContact N-O 2.93Å; N397-Q416 VanDerWaalsContact N-O 3.14Å; Q416-Q418 HydrophobicContact CG-CG 4.34Å; Q416-Q436 WeakPolarHBondContact CA-O 3.35Å; Q416-Q436 HydrophobicContact CG-CB 4.29Å |
| 417 | N | 68.2 | Low | 60.8 | Low | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.9 | 170.9 | -70.5 | -8.3 | 0 | 0 | 0 | 108.8 | N397 A425 Q436 N437 Q438 | N397-N417 WeakPolarHBondContact CB-OD1 3.42Å; N397-N417 PolarHBondContact ND2-OD1 2.89Å; N397-N417 CarbonylContact O-C 3.51Å; N397-N417 VanDerWaalsContact O-CA 3.27Å; N397-N417 WeakPolarHBondContact O-CA 3.47Å; N417-A425 VanDerWaalsContact ND2-CB 3.32Å; N417-A425 WeakPolarHBondContact ND2-CB 3.34Å; N417-Q436 PolarHBondContact N-O 2.83Å; N417-N437 WeakPolarHBondContact O-CA 3.33Å; N417-N437 PolarHBondContact O-OD1 3.07Å; N417-Q438 PolarHBondContact O-N 2.96Å |
| 418 | Q | 65.7 | Low | 60.7 | Low | 71 Ų | 71 | 58.5 Ų | 58.5 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.3 | 175.3 | -61.6 | -174.7 | 4.4 | 0 | 0 | 111.2 | N397 Q398 A399 Q416 Q438 | N397-Q418 PolarHBondContact O-N 2.88Å; Q398-Q418 CarbonylContact C-O 3.56Å; Q398-Q418 WeakPolarHBondContact CA-O 3.43Å; Q398-Q418 HydrophobicContact CG-CB 4.29Å; A399-Q418 PolarHBondContact N-O 2.84Å; Q416-Q418 HydrophobicContact CG-CG 4.34Å; Q418-Q438 WeakPolarHBondContact CA-O 2.93Å; Q418-Q438 HydrophobicContact CG-CB 4.39Å |
| 419 | G | 60.3 | Low | 60.7 | Low | 16 Ų | 16 | 56.1 Ų | 56.1 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | 163 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | A399 Q438 G439 K440 | A399-G419 WeakPolarHBondContact O-CA 3.16Å; G419-Q438 PolarHBondContact N-O 2.6Å; G419-G439 WeakPolarHBondContact O-CA 3.38Å; G419-K440 PolarHBondContact O-N 2.91Å |
| 420 | K | 59.9 | Low | 61.1 | Low | 115 Ų | 115 | 62.9 Ų | 62.9 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -36.6 | 176.3 | -62.5 | -177.5 | 175.9 | -179.5 | 0 | 111.7 | K400 K440 K441 | K400-K420 WeakPolarHBondContact O-CB 3.36Å; K420-K440 WeakPolarHBondContact O-CB 3.47Å; K420-K441 PolarHBondContact O-N 2.84Å; K420-K441 VanDerWaalsContact O-N 3.11Å |
| 421 | K | 58 | Low | 61.2 | Low | 119 Ų | 119 | 60.6 Ų | 60.6 | 52% | 0.517 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 115.2 | 169.3 | -70.1 | -172.2 | 175.5 | -165.3 | 0 | 105 | ||
| 422 | G | 53.8 | Low | 61.4 | Low | 12 Ų | 12 | 54.3 Ų | 54.3 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 119.5 | -178 | 0 | 0 | 0 | 0 | 0 | 109.1 | N437 K441 E443 | G422-N437 PolarHBondContact O-ND2 2.76Å; G422-K441 PolarHBondContact N-O 2.97Å; G422-E443 PolarHBondContact O-N 3.46Å |
| 423 | E | 55.9 | Low | 61.6 | Low | 86 Ų | 86 | 56.9 Ų | 56.9 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 152.9 | 173.2 | -69.1 | 172.7 | -157.5 | 0 | 0 | 110.4 | G404 E443 | G404-E423 VanDerWaalsContact CA-O 3.26Å; G404-E423 WeakPolarHBondContact CA-O 2.96Å; G404-E423 PolarHBondContact N-O 2.81Å; E423-E443 CarbonylContact C-O 3.6Å; E423-E443 WeakPolarHBondContact CA-O 3.41Å; E423-E443 HydrophobicContact CG-CB 4.27Å |
| 424 | A | 53.9 | Low | 61.9 | Low | 28 Ų | 28 | 53 Ų | 53 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.5 | 85.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | G405 E443 G444 | G405-A424 PolarHBondContact N-O 2.91Å; A424-E443 PolarHBondContact N-O 2.63Å; A424-G444 CarbonylContact C-O 3.59Å; A424-G444 WeakPolarHBondContact CA-O 3.28Å |
| 425 | A | 60.4 | Low | 62.5 | Low | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 85.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 108 | N417 G444 T445 S446 | N417-A425 VanDerWaalsContact ND2-CB 3.32Å; N417-A425 WeakPolarHBondContact ND2-CB 3.34Å; A425-G444 PolarHBondContact N-O 2.71Å; A425-T445 HydrophobicContact CB-CG2 4.25Å; A425-S446 PolarHBondContact O-N 2.85Å |
| 426 | Q | 62 | Low | 62.9 | Low | 103 Ų | 103 | 55 Ų | 55 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.1 | 175.8 | -71.8 | -174.8 | 5.4 | 0 | 0 | 111.2 | N407 | N407-Q426 PolarHBondContact N-O 3.08Å |
| 427 | K | 65.1 | Low | 63.2 | Low | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.5 | 174.8 | -126.9 | -168 | -179.9 | -73.3 | 0 | 110.9 | N407 T409 D429 I432 S446 Q448 | N407-K427 WeakPolarHBondContact O-CG 3.39Å; T409-K427 PolarHBondContact O-NZ 3.3Å; T409-K427 PolarHBondContact OG1-NZ 3Å; K427-D429 IonicContact NZ-OD2 3.23Å; K427-D429 PolarHBondContact NZ-OD2 3.36Å; K427-I432 HydrophobicContact CB-CD1 4.36Å; K427-I432 HydrophobicContact CD-CD1 4.32Å; K427-I432 HydrophobicContact CD-CG1 4.21Å; K427-I432 HydrophobicContact CD-CG2 3.59Å; K427-S446 PolarHBondContact N-O 3.36Å; K427-Q448 WeakPolarHBondContact O-CB 3.26Å; K427-Q448 PolarHBondContact O-N 2.75Å |
| 428 | Q | 63.4 | Low | 63.5 | Low | 126 Ų | 126 | 55 Ų | 55 | 59% | 0.589 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 102.5 | 176.4 | -170.2 | -175.9 | 45.2 | 0 | 0 | 110.7 | Q448 | Q428-Q448 CarbonylContact C-O 3.55Å; Q428-Q448 VanDerWaalsContact CA-O 3.29Å; Q428-Q448 WeakPolarHBondContact CA-O 3.24Å; Q428-Q448 HydrophobicContact CG-CB 4.37Å |
| 429 | D | 62.3 | Low | 63.6 | Low | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 177.7 | -173.6 | -70 | -65.7 | 0 | 0 | 0 | 115.2 | T409 K410 K427 I432 Q448 G449 K450 | T409-D429 PolarHBondContact N-OD1 3.22Å; T409-D429 PolarHBondContact N-OD2 2.79Å; T409-D429 VanDerWaalsContact O-CB 3.28Å; T409-D429 WeakPolarHBondContact O-CB 3.46Å; K410-D429 PolarHBondContact N-OD1 3.28Å; K427-D429 IonicContact NZ-OD2 3.23Å; K427-D429 PolarHBondContact NZ-OD2 3.36Å; D429-I432 HydrophobicContact CB-CD1 4.03Å; D429-I432 HydrophobicContact CB-CG1 3.81Å; D429-Q448 PolarHBondContact N-O 3.09Å; D429-G449 WeakPolarHBondContact O-CA 3.3Å; D429-K450 PolarHBondContact O-N 2.95Å |
| 430 | K | 66.4 | Low | 64.2 | Low | 147 Ų | 147 | 57.3 Ų | 57.3 | 64% | 0.639 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -44.3 | -179.3 | -72.9 | -176.7 | -177.8 | 179.9 | 0 | 113.4 | K450 K451 | K430-K450 WeakPolarHBondContact O-CB 3.28Å; K430-K450 PolarHBondContact O-N 2.9Å; K430-K451 PolarHBondContact O-N 2.96Å |
| 431 | K | 63.3 | Low | 64.7 | Low | 80 Ų | 80 | 55.6 Ų | 55.6 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 126.9 | 177.3 | -166.2 | -166.5 | -172.4 | -136.9 | 0 | 108.6 | E433 K451 | K431-E433 IonicContact NZ-OE1 2.84Å; K431-E433 PolarHBondContact NZ-OE1 2.82Å; K431-K451 WeakPolarHBondContact CA-O 3.28Å; K431-K451 HydrophobicContact CG-CB 4.11Å; K431-K451 HydrophobicContact CG-CD 4.37Å |
| 432 | I | 63.5 | Low | 65.3 | Low | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.9 | -173.4 | -57.5 | 161.8 | 0 | 0 | 0 | 109.4 | K427 D429 N447 Q448 K451 G452 E453 | K427-I432 HydrophobicContact CB-CD1 4.36Å; K427-I432 HydrophobicContact CD-CD1 4.32Å; K427-I432 HydrophobicContact CD-CG1 4.21Å; K427-I432 HydrophobicContact CD-CG2 3.59Å; D429-I432 HydrophobicContact CB-CD1 4.03Å; D429-I432 HydrophobicContact CB-CG1 3.81Å; I432-N447 HydrophobicContact CD1-CB 4.39Å; I432-Q448 WeakPolarHBondContact CD1-O 3.26Å; I432-K451 PolarHBondContact N-O 3.23Å; I432-G452 WeakPolarHBondContact O-CA 3.31Å; I432-E453 PolarHBondContact O-N 3.37Å |
| 433 | E | 64.2 | Low | 65.9 | Low | 76 Ų | 76 | 52.3 Ų | 52.3 | 36% | 0.355 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 117.5 | 170.3 | -76.6 | 160.4 | -150.5 | 0 | 0 | 108.3 | E413 G414 K431 E453 | E413-E433 CarbonylContact C-O 3.52Å; G414-E433 WeakPolarHBondContact CA-O 3.4Å; G414-E433 PolarHBondContact N-O 2.87Å; K431-E433 IonicContact NZ-OE1 2.84Å; K431-E433 PolarHBondContact NZ-OE1 2.82Å; E433-E453 HydrophobicContact CG-CB 4.5Å |
| 434 | G | 66.9 | Low | 66.4 | Low | 29 Ų | 29 | 49.6 Ų | 49.6 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72 | 95.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | G414 E453 G454 | G414-G434 CarbonylContact C-O 3.47Å; G414-G434 WeakPolarHBondContact CA-O 3.41Å; G414-G434 PolarHBondContact N-O 2.89Å; G434-E453 PolarHBondContact N-O 3.08Å; G434-G454 CarbonylContact C-O 3.51Å; G434-G454 WeakPolarHBondContact CA-O 3.15Å |
| 435 | A | 71.2 | Confident | 67.2 | Low | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T445 N447 G454 Q456 | A435-T445 HydrophobicContact CB-CG2 3.69Å; A435-N447 VanDerWaalsContact CB-OD1 3.22Å; A435-N447 WeakPolarHBondContact CB-OD1 3.28Å; A435-G454 PolarHBondContact N-O 3.41Å; A435-Q456 PolarHBondContact O-N 2.98Å |
| 436 | Q | 71.9 | Confident | 67.8 | Low | 55 Ų | 55 | 48.5 Ų | 48.5 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.4 | -177.8 | -65.7 | -171.2 | -23 | 0 | 0 | 111.5 | P415 Q416 N417 Q456 | P415-Q436 PolarHBondContact O-N 2.73Å; P415-Q436 VanDerWaalsContact O-N 3.1Å; Q416-Q436 WeakPolarHBondContact CA-O 3.35Å; Q416-Q436 HydrophobicContact CG-CB 4.29Å; N417-Q436 PolarHBondContact N-O 2.83Å; Q436-Q456 CarbonylContact C-O 3.51Å; Q436-Q456 WeakPolarHBondContact CA-O 3.32Å; Q436-Q456 HydrophobicContact CG-CB 4.3Å |
| 437 | N | 72.1 | Confident | 68.3 | Low | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 116 | 168.8 | -168 | -0.6 | 0 | 0 | 0 | 109.5 | N417 G422 P442 E443 T445 Q456 N457 Q458 | N417-N437 WeakPolarHBondContact O-CA 3.33Å; N417-N437 PolarHBondContact O-OD1 3.07Å; G422-N437 PolarHBondContact O-ND2 2.76Å; N437-P442 HydrophobicContact CB-CB 4.05Å; N437-P442 WeakPolarHBondContact O-CB 3.36Å; N437-E443 PolarHBondContact ND2-O 2.75Å; N437-T445 WeakPolarHBondContact CB-OG1 3.06Å; N437-Q456 PolarHBondContact N-O 2.88Å; N437-N457 WeakPolarHBondContact CB-OD1 3.29Å; N437-N457 WeakPolarHBondContact O-CA 3.49Å; N437-Q458 PolarHBondContact O-N 3.23Å |
| 438 | Q | 72.7 | Confident | 68.6 | Low | 57 Ų | 57 | 46.3 Ų | 46.3 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.4 | -176.3 | -57.5 | -175.3 | 14 | 0 | 0 | 111 | N417 Q418 G419 Q458 | N417-Q438 PolarHBondContact O-N 2.96Å; Q418-Q438 WeakPolarHBondContact CA-O 2.93Å; Q418-Q438 HydrophobicContact CG-CB 4.39Å; G419-Q438 PolarHBondContact N-O 2.6Å; Q438-Q458 WeakPolarHBondContact CA-O 3.37Å; Q438-Q458 HydrophobicContact CG-CB 4.31Å |
| 439 | G | 69 | Low | 69 | Low | 23 Ų | 23 | 41.6 Ų | 41.6 | 24% | 0.237 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | -178 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | G419 Q458 G459 | G419-G439 WeakPolarHBondContact O-CA 3.38Å; G439-Q458 PolarHBondContact N-O 2.78Å; G439-G459 WeakPolarHBondContact O-CA 3.5Å |
| 440 | K | 73.3 | Confident | 69.6 | Low | 112 Ų | 112 | 45.9 Ų | 45.9 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -40.2 | 168.5 | -65.2 | -174.1 | 178.3 | -172.3 | 0 | 110.4 | G419 K420 K460 K461 | G419-K440 PolarHBondContact O-N 2.91Å; K420-K440 WeakPolarHBondContact O-CB 3.47Å; K440-K460 WeakPolarHBondContact O-CA 3.48Å; K440-K460 WeakPolarHBondContact O-CB 3.29Å; K440-K460 PolarHBondContact O-N 2.94Å; K440-K460 VanDerWaalsContact O-N 3.09Å; K440-K461 PolarHBondContact O-N 2.89Å; K440-K461 VanDerWaalsContact O-N 3.08Å |
| 441 | K | 69.8 | Low | 69.8 | Low | 79 Ų | 79 | 43.4 Ų | 43.4 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 80.9 | 174 | -59.8 | -169.6 | -176.9 | -172.6 | 0 | 110.7 | K420 G422 K461 | K420-K441 PolarHBondContact O-N 2.84Å; K420-K441 VanDerWaalsContact O-N 3.11Å; G422-K441 PolarHBondContact N-O 2.97Å; K441-K461 VanDerWaalsContact CA-O 3.28Å; K441-K461 WeakPolarHBondContact CA-O 3.36Å; K441-K461 HydrophobicContact CG-CB 4.3Å |
| 442 | P | 69.7 | Low | 69.9 | Low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 132.1 | 170.1 | 29.5 | -33.8 | 0 | 0 | 0 | 110.7 | N437 N457 K461 G462 E463 | N437-P442 HydrophobicContact CB-CB 4.05Å; N437-P442 WeakPolarHBondContact O-CB 3.36Å; P442-N457 HydrophobicContact CB-CB 4.2Å; P442-N457 HydrophobicContact CG-CB 4.02Å; P442-K461 VanDerWaalsContact CD-O 3.28Å; P442-K461 WeakPolarHBondContact CD-O 3.44Å; P442-G462 WeakPolarHBondContact O-CA 3.44Å; P442-E463 PolarHBondContact O-N 2.78Å |
| 443 | E | 67.1 | Low | 70.2 | Confident | 62 Ų | 62 | 43 Ų | 43 | 29% | 0.29 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.5 | -180 | -64.2 | 174.7 | -156.3 | 0 | 0 | 109.9 | G422 E423 A424 N437 E463 | G422-E443 PolarHBondContact O-N 3.46Å; E423-E443 CarbonylContact C-O 3.6Å; E423-E443 WeakPolarHBondContact CA-O 3.41Å; E423-E443 HydrophobicContact CG-CB 4.27Å; A424-E443 PolarHBondContact N-O 2.63Å; N437-E443 PolarHBondContact ND2-O 2.75Å; E443-E463 CarbonylContact C-O 3.55Å; E443-E463 VanDerWaalsContact CA-O 3.31Å; E443-E463 WeakPolarHBondContact CA-O 2.88Å; E443-E463 HydrophobicContact CG-CB 4.34Å |
| 444 | G | 66 | Low | 70.4 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.6 | 61.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | A424 A425 E463 G464 | A424-G444 CarbonylContact C-O 3.59Å; A424-G444 WeakPolarHBondContact CA-O 3.28Å; A425-G444 PolarHBondContact N-O 2.71Å; G444-E463 PolarHBondContact N-O 2.99Å; G444-G464 CarbonylContact C-O 3.57Å; G444-G464 VanDerWaalsContact CA-O 3.29Å; G444-G464 WeakPolarHBondContact CA-O 3.47Å |
| 445 | T | 71.8 | Confident | 70.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.9 | 170.1 | -62.5 | 0 | 0 | 0 | 0 | 109.5 | A425 A435 N437 A455 N457 G464 A465 Q466 | A425-T445 HydrophobicContact CB-CG2 4.25Å; A435-T445 HydrophobicContact CB-CG2 3.69Å; N437-T445 WeakPolarHBondContact CB-OG1 3.06Å; T445-A455 HydrophobicContact CG2-CB 4.03Å; T445-N457 WeakPolarHBondContact CB-OD1 3.29Å; T445-N457 PolarHBondContact OG1-OD1 2.77Å; T445-G464 PolarHBondContact N-O 2.79Å; T445-A465 CarbonylContact O-C 3.56Å; T445-A465 WeakPolarHBondContact O-CA 3.25Å; T445-Q466 PolarHBondContact O-N 3.35Å |
| 446 | S | 72.6 | Confident | 71 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.4 | -176.9 | -165.9 | 0 | 0 | 0 | 0 | 112.6 | A425 K427 Q466 | A425-S446 PolarHBondContact O-N 2.85Å; K427-S446 PolarHBondContact N-O 3.36Å; S446-Q466 CarbonylContact C-O 3.57Å; S446-Q466 VanDerWaalsContact CA-O 3.26Å; S446-Q466 WeakPolarHBondContact CA-O 3.22Å |
| 447 | N | 71.3 | Confident | 71.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 119.2 | 168.7 | -75.4 | -25.9 | 0 | 0 | 0 | 109.5 | I432 A435 G454 Q466 N467 Q468 | I432-N447 HydrophobicContact CD1-CB 4.39Å; A435-N447 VanDerWaalsContact CB-OD1 3.22Å; A435-N447 WeakPolarHBondContact CB-OD1 3.28Å; N447-G454 PolarHBondContact ND2-O 2.63Å; N447-G454 VanDerWaalsContact ND2-O 3.17Å; N447-Q466 PolarHBondContact N-O 3.17Å; N447-N467 CarbonylContact O-C 3.55Å; N447-N467 WeakPolarHBondContact O-CA 3.47Å; N447-N467 PolarHBondContact O-OD1 3.03Å; N447-Q468 PolarHBondContact O-N 3.14Å |
| 448 | Q | 72.7 | Confident | 71.4 | Confident | 62 Ų | 62 | 40.7 Ų | 40.7 | 29% | 0.29 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.7 | 174.9 | -58.3 | -172 | -2.8 | 0 | 0 | 110.7 | K427 Q428 D429 I432 Q468 | K427-Q448 WeakPolarHBondContact O-CB 3.26Å; K427-Q448 PolarHBondContact O-N 2.75Å; Q428-Q448 CarbonylContact C-O 3.55Å; Q428-Q448 VanDerWaalsContact CA-O 3.29Å; Q428-Q448 WeakPolarHBondContact CA-O 3.24Å; Q428-Q448 HydrophobicContact CG-CB 4.37Å; D429-Q448 PolarHBondContact N-O 3.09Å; I432-Q448 WeakPolarHBondContact CD1-O 3.26Å; Q448-Q468 WeakPolarHBondContact CA-O 3.5Å; Q448-Q468 HydrophobicContact CG-CB 4.3Å |
| 449 | G | 70.5 | Confident | 71.5 | Confident | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | -166.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | D429 Q468 A469 K470 | D429-G449 WeakPolarHBondContact O-CA 3.3Å; G449-Q468 PolarHBondContact N-O 3.39Å; G449-Q468 VanDerWaalsContact N-O 3.1Å; G449-A469 WeakPolarHBondContact O-CA 3.34Å; G449-K470 PolarHBondContact O-N 3.43Å |
| 450 | K | 74.6 | Confident | 72 | Confident | 116 Ų | 116 | 43.4 Ų | 43.4 | 50% | 0.504 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -40.3 | 171.3 | -62 | -173.6 | 179.3 | -171.5 | 0 | 111.6 | D429 K430 K470 K471 | D429-K450 PolarHBondContact O-N 2.95Å; K430-K450 WeakPolarHBondContact O-CB 3.28Å; K430-K450 PolarHBondContact O-N 2.9Å; K450-K470 WeakPolarHBondContact O-CB 3.24Å; K450-K470 PolarHBondContact O-N 3.42Å; K450-K471 PolarHBondContact O-N 3.35Å; K450-K471 VanDerWaalsContact O-N 3.15Å |
| 451 | K | 70.8 | Confident | 72.1 | Confident | 95 Ų | 95 | 42.4 Ų | 42.4 | 41% | 0.413 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.9 | 171.7 | -67.2 | -172.4 | 177.9 | -171.2 | 0 | 108.9 | K430 K431 I432 K471 | K430-K451 PolarHBondContact O-N 2.96Å; K431-K451 WeakPolarHBondContact CA-O 3.28Å; K431-K451 HydrophobicContact CG-CB 4.11Å; K431-K451 HydrophobicContact CG-CD 4.37Å; I432-K451 PolarHBondContact N-O 3.23Å; K451-K471 WeakPolarHBondContact CA-O 2.83Å; K451-K471 HydrophobicContact CG-CB 4.42Å |
| 452 | G | 66.8 | Low | 72.1 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 131.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I432 N467 K471 G472 E473 | I432-G452 WeakPolarHBondContact O-CA 3.31Å; G452-N467 PolarHBondContact O-ND2 2.91Å; G452-K471 PolarHBondContact N-O 3.23Å; G452-G472 CarbonylContact O-C 3.56Å; G452-G472 VanDerWaalsContact O-CA 3.3Å; G452-G472 WeakPolarHBondContact O-CA 3.43Å; G452-E473 PolarHBondContact O-N 2.81Å |
| 453 | E | 68.4 | Low | 72.4 | Confident | 71 Ų | 71 | 41.4 Ų | 41.4 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131 | 175.6 | -72.5 | 162.9 | -146.5 | 0 | 0 | 108.8 | I432 E433 G434 E473 | I432-E453 PolarHBondContact O-N 3.37Å; E433-E453 HydrophobicContact CG-CB 4.5Å; G434-E453 PolarHBondContact N-O 3.08Å; E453-E473 CarbonylContact C-O 3.48Å; E453-E473 WeakPolarHBondContact CA-O 3.45Å; E453-E473 HydrophobicContact CG-CB 4.13Å |
| 454 | G | 69 | Low | 72.5 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70 | 91.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | G434 A435 N447 E473 G474 | G434-G454 CarbonylContact C-O 3.51Å; G434-G454 WeakPolarHBondContact CA-O 3.15Å; A435-G454 PolarHBondContact N-O 3.41Å; N447-G454 PolarHBondContact ND2-O 2.63Å; N447-G454 VanDerWaalsContact ND2-O 3.17Å; G454-E473 PolarHBondContact N-O 2.77Å; G454-G474 CarbonylContact C-O 3.55Å; G454-G474 WeakPolarHBondContact CA-O 3.32Å; G454-G474 PolarHBondContact N-O 2.95Å |
| 455 | A | 73.8 | Confident | 73.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | T445 G474 A475 Q476 | T445-A455 HydrophobicContact CG2-CB 4.03Å; A455-G474 PolarHBondContact N-O 2.91Å; A455-A475 CarbonylContact O-C 3.55Å; A455-A475 WeakPolarHBondContact O-CA 3.33Å; A455-Q476 PolarHBondContact O-N 2.98Å |
| 456 | Q | 77 | Confident | 73.4 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 16% | 0.164 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.1 | -173.8 | -58.1 | 179 | -59.9 | 0 | 0 | 112.6 | A435 Q436 N437 Q476 | A435-Q456 PolarHBondContact O-N 2.98Å; Q436-Q456 CarbonylContact C-O 3.51Å; Q436-Q456 WeakPolarHBondContact CA-O 3.32Å; Q436-Q456 HydrophobicContact CG-CB 4.3Å; N437-Q456 PolarHBondContact N-O 2.88Å; Q456-Q476 CarbonylContact C-O 3.57Å; Q456-Q476 VanDerWaalsContact CA-O 3.28Å; Q456-Q476 WeakPolarHBondContact CA-O 3.47Å; Q456-Q476 HydrophobicContact CG-CB 4.25Å |
| 457 | N | 76.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.8 | 165.1 | -66 | -42.2 | 0 | 0 | 0 | 109.7 | N437 P442 T445 E463 A465 Q476 N477 Q478 | N437-N457 WeakPolarHBondContact CB-OD1 3.29Å; N437-N457 WeakPolarHBondContact O-CA 3.49Å; P442-N457 HydrophobicContact CB-CB 4.2Å; P442-N457 HydrophobicContact CG-CB 4.02Å; T445-N457 WeakPolarHBondContact CB-OD1 3.29Å; T445-N457 PolarHBondContact OG1-OD1 2.77Å; N457-E463 PolarHBondContact ND2-O 3.46Å; N457-E463 VanDerWaalsContact ND2-O 3.08Å; N457-A465 PolarHBondContact ND2-N 3.11Å; N457-Q476 PolarHBondContact N-O 3.1Å; N457-N477 VanDerWaalsContact CB-OD1 3.25Å; N457-N477 WeakPolarHBondContact CB-OD1 3.23Å; N457-N477 PolarHBondContact ND2-OD1 2.83Å; N457-N477 WeakPolarHBondContact O-CA 3.39Å; N457-Q478 PolarHBondContact O-N 2.85Å |
| 458 | Q | 77.2 | Confident | 73.8 | Confident | 63 Ų | 63 | 44 Ų | 44 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 119.5 | 176.2 | -62.4 | -176.3 | 7.8 | 0 | 0 | 110.8 | N437 Q438 G439 Q478 | N437-Q458 PolarHBondContact O-N 3.23Å; Q438-Q458 WeakPolarHBondContact CA-O 3.37Å; Q438-Q458 HydrophobicContact CG-CB 4.31Å; G439-Q458 PolarHBondContact N-O 2.78Å; Q458-Q478 WeakPolarHBondContact CA-O 3.35Å; Q458-Q478 HydrophobicContact CG-CB 4.39Å |
| 459 | G | 74.7 | Confident | 73.9 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | -172.6 | -177 | 0 | 0 | 0 | 0 | 0 | 117 | G439 Q478 G479 | G439-G459 WeakPolarHBondContact O-CA 3.5Å; G459-Q478 PolarHBondContact N-O 2.98Å; G459-G479 WeakPolarHBondContact O-CA 3.26Å |
| 460 | K | 79 | Confident | 74.2 | Confident | 117 Ų | 117 | 45.8 Ų | 45.8 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | -39.6 | 174.7 | -67.2 | -173.7 | 178.7 | -174.5 | 0 | 111.2 | K440 K480 K481 | K440-K460 WeakPolarHBondContact O-CA 3.48Å; K440-K460 WeakPolarHBondContact O-CB 3.29Å; K440-K460 PolarHBondContact O-N 2.94Å; K440-K460 VanDerWaalsContact O-N 3.09Å; K460-K480 WeakPolarHBondContact O-CA 2.81Å; K460-K480 WeakPolarHBondContact O-CB 2.84Å; K460-K480 PolarHBondContact O-N 2.99Å; K460-K481 PolarHBondContact O-N 3.45Å |
| 461 | K | 75.8 | Confident | 74.3 | Confident | 91 Ų | 91 | 45.2 Ų | 45.2 | 40% | 0.396 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 102.9 | 172.3 | -58.3 | -171.1 | 175 | -168.5 | 0 | 108.7 | K440 K441 P442 K481 | K440-K461 PolarHBondContact O-N 2.89Å; K440-K461 VanDerWaalsContact O-N 3.08Å; K441-K461 VanDerWaalsContact CA-O 3.28Å; K441-K461 WeakPolarHBondContact CA-O 3.36Å; K441-K461 HydrophobicContact CG-CB 4.3Å; P442-K461 VanDerWaalsContact CD-O 3.28Å; P442-K461 WeakPolarHBondContact CD-O 3.44Å; K461-K481 CarbonylContact C-O 3.56Å; K461-K481 VanDerWaalsContact CA-O 3.28Å; K461-K481 WeakPolarHBondContact CA-O 2.85Å; K461-K481 HydrophobicContact CB-CB 4.32Å; K461-K481 HydrophobicContact CD-CD 4.09Å; K461-K481 HydrophobicContact CG-CB 4.06Å; K461-K481 HydrophobicContact CG-CD 4.24Å |
| 462 | G | 70 | Confident | 74.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P442 K481 G482 E483 | P442-G462 WeakPolarHBondContact O-CA 3.44Å; G462-K481 PolarHBondContact N-O 3Å; G462-G482 CarbonylContact O-C 3.51Å; G462-G482 VanDerWaalsContact O-CA 3.3Å; G462-G482 WeakPolarHBondContact O-CA 2.86Å; G462-E483 PolarHBondContact O-N 3.38Å |
| 463 | E | 74.5 | Confident | 74.4 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 27% | 0.271 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.4 | -179.4 | -55.6 | -175.9 | 178.4 | 0 | 0 | 111.2 | P442 E443 G444 N457 K481 E483 | P442-E463 PolarHBondContact O-N 2.78Å; E443-E463 CarbonylContact C-O 3.55Å; E443-E463 VanDerWaalsContact CA-O 3.31Å; E443-E463 WeakPolarHBondContact CA-O 2.88Å; E443-E463 HydrophobicContact CG-CB 4.34Å; G444-E463 PolarHBondContact N-O 2.99Å; N457-E463 PolarHBondContact ND2-O 3.46Å; N457-E463 VanDerWaalsContact ND2-O 3.08Å; E463-K481 IonicContact OE1-NZ 2.71Å; E463-K481 PolarHBondContact OE1-NZ 2.8Å; E463-E483 CarbonylContact C-O 3.56Å; E463-E483 VanDerWaalsContact CA-O 3.24Å; E463-E483 WeakPolarHBondContact CA-O 3.22Å; E463-E483 HydrophobicContact CG-CB 4.21Å |
| 464 | G | 70.2 | Confident | 74.5 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 24% | 0.237 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 74 | 60.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G444 T445 E483 G484 | G444-G464 CarbonylContact C-O 3.57Å; G444-G464 VanDerWaalsContact CA-O 3.29Å; G444-G464 WeakPolarHBondContact CA-O 3.47Å; T445-G464 PolarHBondContact N-O 2.79Å; G464-E483 PolarHBondContact N-O 3.1Å; G464-G484 CarbonylContact C-O 3.55Å; G464-G484 WeakPolarHBondContact CA-O 3.46Å; G464-G484 PolarHBondContact N-O 3.2Å |
| 465 | A | 78.8 | Confident | 75 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | T445 N457 A475 N477 G484 A485 Q486 | T445-A465 CarbonylContact O-C 3.56Å; T445-A465 WeakPolarHBondContact O-CA 3.25Å; N457-A465 PolarHBondContact ND2-N 3.11Å; A465-A475 HydrophobicContact CB-CB 4.38Å; A465-N477 WeakPolarHBondContact CB-OD1 3.4Å; A465-G484 PolarHBondContact N-O 2.83Å; A465-A485 CarbonylContact O-C 3.59Å; A465-A485 VanDerWaalsContact O-CA 3.29Å; A465-A485 WeakPolarHBondContact O-CA 3.29Å; A465-Q486 PolarHBondContact O-N 3.48Å |
| 466 | Q | 77.8 | Confident | 75.3 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 26% | 0.262 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.8 | -175.2 | -64.2 | -177.2 | -47.4 | 0 | 0 | 112.1 | T445 S446 N447 Q486 | T445-Q466 PolarHBondContact O-N 3.35Å; S446-Q466 CarbonylContact C-O 3.57Å; S446-Q466 VanDerWaalsContact CA-O 3.26Å; S446-Q466 WeakPolarHBondContact CA-O 3.22Å; N447-Q466 PolarHBondContact N-O 3.17Å; Q466-Q486 CarbonylContact C-O 3.56Å; Q466-Q486 VanDerWaalsContact CA-O 3.27Å; Q466-Q486 WeakPolarHBondContact CA-O 3.46Å; Q466-Q486 HydrophobicContact CG-CB 4.26Å |
| 467 | N | 75.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 109.7 | 168.4 | -162.8 | -13.5 | 0 | 0 | 0 | 109 | N447 G452 E473 Q486 N487 Q488 | N447-N467 CarbonylContact O-C 3.55Å; N447-N467 WeakPolarHBondContact O-CA 3.47Å; N447-N467 PolarHBondContact O-OD1 3.03Å; G452-N467 PolarHBondContact O-ND2 2.91Å; N467-E473 PolarHBondContact ND2-N 3.31Å; N467-E473 PolarHBondContact ND2-O 2.79Å; N467-Q486 PolarHBondContact N-O 2.8Å; N467-N487 WeakPolarHBondContact CB-OD1 3.2Å; N467-N487 WeakPolarHBondContact O-CA 3.22Å; N467-Q488 PolarHBondContact O-N 3.32Å |
| 468 | Q | 77.1 | Confident | 75.5 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 83.7 | 176.4 | -61.4 | -176.7 | 6.7 | 0 | 0 | 109 | N447 Q448 G449 Q488 | N447-Q468 PolarHBondContact O-N 3.14Å; Q448-Q468 WeakPolarHBondContact CA-O 3.5Å; Q448-Q468 HydrophobicContact CG-CB 4.3Å; G449-Q468 PolarHBondContact N-O 3.39Å; G449-Q468 VanDerWaalsContact N-O 3.1Å; Q468-Q488 WeakPolarHBondContact CA-O 3.42Å; Q468-Q488 HydrophobicContact CG-CB 4.27Å |
| 469 | A | 75.3 | Confident | 75.5 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 153.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G449 K471 Q488 G489 | G449-A469 WeakPolarHBondContact O-CA 3.34Å; A469-K471 WeakPolarHBondContact CB-O 3.5Å; A469-K471 PolarHBondContact O-N 3.04Å; A469-Q488 PolarHBondContact N-O 3.18Å; A469-G489 WeakPolarHBondContact O-CA 2.92Å |
| 470 | K | 76.8 | Confident | 75.8 | Confident | 120 Ų | 120 | 47.8 Ų | 47.8 | 52% | 0.522 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | -37.6 | 174.8 | -65.3 | -176 | -179.9 | -176.8 | 0 | 111.3 | G449 K450 K490 K491 | G449-K470 PolarHBondContact O-N 3.43Å; K450-K470 WeakPolarHBondContact O-CB 3.24Å; K450-K470 PolarHBondContact O-N 3.42Å; K470-K490 WeakPolarHBondContact O-CB 3.46Å; K470-K490 PolarHBondContact O-N 3.09Å; K470-K491 PolarHBondContact O-N 3.01Å |
| 471 | K | 75.3 | Confident | 75.7 | Confident | 104 Ų | 104 | 44.4 Ų | 44.4 | 45% | 0.452 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 111 | 163.3 | -62.8 | -174.3 | 178.7 | -171.7 | 0 | 107.6 | K450 K451 G452 A469 K491 | K450-K471 PolarHBondContact O-N 3.35Å; K450-K471 VanDerWaalsContact O-N 3.15Å; K451-K471 WeakPolarHBondContact CA-O 2.83Å; K451-K471 HydrophobicContact CG-CB 4.42Å; G452-K471 PolarHBondContact N-O 3.23Å; A469-K471 WeakPolarHBondContact CB-O 3.5Å; A469-K471 PolarHBondContact O-N 3.04Å; K471-K491 WeakPolarHBondContact CA-O 3.3Å; K471-K491 HydrophobicContact CG-CB 4.38Å |
| 472 | G | 68.2 | Low | 75.5 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 134.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | G452 K491 G492 E493 | G452-G472 CarbonylContact O-C 3.56Å; G452-G472 VanDerWaalsContact O-CA 3.3Å; G452-G472 WeakPolarHBondContact O-CA 3.43Å; G472-K491 PolarHBondContact N-O 3.24Å; G472-G492 CarbonylContact O-C 3.58Å; G472-G492 WeakPolarHBondContact O-CA 3.2Å; G472-E493 PolarHBondContact O-N 3.09Å |
| 473 | E | 71.8 | Confident | 75.8 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 41% | 0.407 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140 | 171.5 | -62.1 | 175.2 | -163.5 | 0 | 0 | 108.8 | G452 E453 G454 N467 E493 | G452-E473 PolarHBondContact O-N 2.81Å; E453-E473 CarbonylContact C-O 3.48Å; E453-E473 WeakPolarHBondContact CA-O 3.45Å; E453-E473 HydrophobicContact CG-CB 4.13Å; G454-E473 PolarHBondContact N-O 2.77Å; N467-E473 PolarHBondContact ND2-N 3.31Å; N467-E473 PolarHBondContact ND2-O 2.79Å; E473-E493 CarbonylContact C-O 3.57Å; E473-E493 VanDerWaalsContact CA-O 3.31Å; E473-E493 WeakPolarHBondContact CA-O 3.29Å; E473-E493 HydrophobicContact CG-CB 4.26Å |
| 474 | G | 71.5 | Confident | 75.6 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.1 | 103.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G454 A455 E493 G494 | G454-G474 CarbonylContact C-O 3.55Å; G454-G474 WeakPolarHBondContact CA-O 3.32Å; G454-G474 PolarHBondContact N-O 2.95Å; A455-G474 PolarHBondContact N-O 2.91Å; G474-E493 PolarHBondContact N-O 2.95Å; G474-G494 CarbonylContact C-O 3.58Å; G474-G494 WeakPolarHBondContact CA-O 3.46Å |
| 475 | A | 78.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A455 A465 A485 N487 G494 A495 Q496 | A455-A475 CarbonylContact O-C 3.55Å; A455-A475 WeakPolarHBondContact O-CA 3.33Å; A465-A475 HydrophobicContact CB-CB 4.38Å; A475-A485 HydrophobicContact CB-CB 4.42Å; A475-N487 WeakPolarHBondContact CB-OD1 3.33Å; A475-G494 PolarHBondContact N-O 3.05Å; A475-A495 CarbonylContact O-C 3.56Å; A475-A495 WeakPolarHBondContact O-CA 3.34Å; A475-Q496 PolarHBondContact O-N 2.81Å |
| 476 | Q | 79.9 | Confident | 76 | Confident | 40 Ų | 40 | 41.1 Ų | 41.1 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.4 | -171.5 | -58.8 | 174 | -55.4 | 0 | 0 | 112.7 | A455 Q456 N457 Q496 | A455-Q476 PolarHBondContact O-N 2.98Å; Q456-Q476 CarbonylContact C-O 3.57Å; Q456-Q476 VanDerWaalsContact CA-O 3.28Å; Q456-Q476 WeakPolarHBondContact CA-O 3.47Å; Q456-Q476 HydrophobicContact CG-CB 4.25Å; N457-Q476 PolarHBondContact N-O 3.1Å; Q476-Q496 CarbonylContact C-O 3.57Å; Q476-Q496 WeakPolarHBondContact CA-O 3.19Å; Q476-Q496 HydrophobicContact CG-CB 4.2Å |
| 477 | N | 79.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.1 | 162.1 | -54 | -72.9 | 0 | 0 | 0 | 109.7 | N457 A465 E483 G484 Q496 N497 Q498 | N457-N477 VanDerWaalsContact CB-OD1 3.25Å; N457-N477 WeakPolarHBondContact CB-OD1 3.23Å; N457-N477 PolarHBondContact ND2-OD1 2.83Å; N457-N477 WeakPolarHBondContact O-CA 3.39Å; A465-N477 WeakPolarHBondContact CB-OD1 3.4Å; N477-E483 PolarHBondContact ND2-O 2.91Å; N477-G484 PolarHBondContact ND2-O 3.46Å; N477-G484 VanDerWaalsContact ND2-O 3.1Å; N477-Q496 PolarHBondContact N-O 2.81Å; N477-N497 VanDerWaalsContact CB-OD1 3.23Å; N477-N497 WeakPolarHBondContact CB-OD1 3.33Å; N477-N497 PolarHBondContact N-OD1 3.33Å; N477-N497 PolarHBondContact ND2-OD1 2.83Å; N477-N497 WeakPolarHBondContact O-CA 3.32Å; N477-Q498 PolarHBondContact O-N 3.04Å |
| 478 | Q | 78.1 | Confident | 75.9 | Confident | 64 Ų | 64 | 41.3 Ų | 41.3 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.2 | 176.1 | -63.5 | -178.7 | 8 | 0 | 0 | 110.4 | N457 Q458 G459 Q498 | N457-Q478 PolarHBondContact O-N 2.85Å; Q458-Q478 WeakPolarHBondContact CA-O 3.35Å; Q458-Q478 HydrophobicContact CG-CB 4.39Å; G459-Q478 PolarHBondContact N-O 2.98Å; Q478-Q498 HydrophobicContact CG-CB 4.46Å |
| 479 | G | 77.4 | Confident | 75.8 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 27% | 0.268 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | -165.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | G459 Q498 G499 | G459-G479 WeakPolarHBondContact O-CA 3.26Å; G479-Q498 PolarHBondContact N-O 3.04Å; G479-G499 WeakPolarHBondContact O-CA 3.38Å |
| 480 | K | 80.3 | Confident | 75.9 | Confident | 120 Ų | 120 | 44.6 Ų | 44.6 | 52% | 0.522 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -35.9 | 169.3 | -65.3 | -174.4 | 178.6 | -174.4 | 0 | 111.1 | K460 K500 K501 | K460-K480 WeakPolarHBondContact O-CA 2.81Å; K460-K480 WeakPolarHBondContact O-CB 2.84Å; K460-K480 PolarHBondContact O-N 2.99Å; K480-K500 WeakPolarHBondContact O-CA 3.17Å; K480-K500 WeakPolarHBondContact O-CB 3.33Å; K480-K500 PolarHBondContact O-N 3.49Å; K480-K501 PolarHBondContact O-N 2.91Å; K480-K501 VanDerWaalsContact O-N 3.07Å |
| 481 | K | 76.8 | Confident | 75.7 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.2 | 172.9 | -172.8 | -177 | -170.7 | -95.8 | 0 | 107.2 | K460 K461 G462 E463 E483 K501 | K460-K481 PolarHBondContact O-N 3.45Å; K461-K481 CarbonylContact C-O 3.56Å; K461-K481 VanDerWaalsContact CA-O 3.28Å; K461-K481 WeakPolarHBondContact CA-O 2.85Å; K461-K481 HydrophobicContact CB-CB 4.32Å; K461-K481 HydrophobicContact CD-CD 4.09Å; K461-K481 HydrophobicContact CG-CB 4.06Å; K461-K481 HydrophobicContact CG-CD 4.24Å; G462-K481 PolarHBondContact N-O 3Å; E463-K481 IonicContact OE1-NZ 2.71Å; E463-K481 PolarHBondContact OE1-NZ 2.8Å; K481-E483 WeakPolarHBondContact CE-OE1 3.29Å; K481-E483 HydrophobicContact CG-CG 4.27Å; K481-E483 IonicContact NZ-OE1 2.63Å; K481-E483 PolarHBondContact NZ-OE1 3.4Å; K481-E483 IonicContact NZ-OE2 2.97Å; K481-E483 PolarHBondContact NZ-OE2 2.8Å; K481-K501 CarbonylContact C-O 3.6Å; K481-K501 VanDerWaalsContact CA-O 3.26Å; K481-K501 WeakPolarHBondContact CA-O 3.31Å; K481-K501 HydrophobicContact CG-CB 4.42Å; K481-K501 HydrophobicContact CG-CD 4.29Å |
| 482 | G | 72.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 122.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | G462 K501 A502 E503 | G462-G482 CarbonylContact O-C 3.51Å; G462-G482 VanDerWaalsContact O-CA 3.3Å; G462-G482 WeakPolarHBondContact O-CA 2.86Å; G482-K501 PolarHBondContact N-O 3.43Å; G482-A502 CarbonylContact O-C 3.56Å; G482-A502 VanDerWaalsContact O-CA 3.22Å; G482-A502 WeakPolarHBondContact O-CA 3.18Å; G482-E503 PolarHBondContact O-N 3.01Å |
| 483 | E | 76.2 | Confident | 75.4 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.9 | -179.3 | -60 | -177.2 | 179.4 | 0 | 0 | 111.1 | G462 E463 G464 N477 K481 K501 E503 | G462-E483 PolarHBondContact O-N 3.38Å; E463-E483 CarbonylContact C-O 3.56Å; E463-E483 VanDerWaalsContact CA-O 3.24Å; E463-E483 WeakPolarHBondContact CA-O 3.22Å; E463-E483 HydrophobicContact CG-CB 4.21Å; G464-E483 PolarHBondContact N-O 3.1Å; N477-E483 PolarHBondContact ND2-O 2.91Å; K481-E483 WeakPolarHBondContact CE-OE1 3.29Å; K481-E483 HydrophobicContact CG-CG 4.27Å; K481-E483 IonicContact NZ-OE1 2.63Å; K481-E483 PolarHBondContact NZ-OE1 3.4Å; K481-E483 IonicContact NZ-OE2 2.97Å; K481-E483 PolarHBondContact NZ-OE2 2.8Å; E483-K501 IonicContact OE1-NZ 2.79Å; E483-K501 PolarHBondContact OE1-NZ 3.35Å; E483-E503 CarbonylContact C-O 3.56Å; E483-E503 VanDerWaalsContact CA-O 3.29Å; E483-E503 WeakPolarHBondContact CA-O 3.32Å; E483-E503 HydrophobicContact CG-CB 4.13Å |
| 484 | G | 71.7 | Confident | 75.3 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 22% | 0.216 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.1 | 76.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G464 A465 N477 E503 G504 | G464-G484 CarbonylContact C-O 3.55Å; G464-G484 WeakPolarHBondContact CA-O 3.46Å; G464-G484 PolarHBondContact N-O 3.2Å; A465-G484 PolarHBondContact N-O 2.83Å; N477-G484 PolarHBondContact ND2-O 3.46Å; N477-G484 VanDerWaalsContact ND2-O 3.1Å; G484-E503 PolarHBondContact N-O 3Å; G484-G504 CarbonylContact C-O 3.47Å; G484-G504 WeakPolarHBondContact CA-O 3.18Å; G484-G504 PolarHBondContact N-O 3.47Å |
| 485 | A | 79.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | A465 A475 A495 N497 G504 V505 Q506 | A465-A485 CarbonylContact O-C 3.59Å; A465-A485 VanDerWaalsContact O-CA 3.29Å; A465-A485 WeakPolarHBondContact O-CA 3.29Å; A475-A485 HydrophobicContact CB-CB 4.42Å; A485-A495 HydrophobicContact CB-CB 4.44Å; A485-N497 WeakPolarHBondContact CB-OD1 3.42Å; A485-G504 PolarHBondContact N-O 3.39Å; A485-V505 CarbonylContact O-C 3.5Å; A485-V505 WeakPolarHBondContact O-CA 3.36Å; A485-Q506 PolarHBondContact O-N 2.82Å |
| 486 | Q | 77.9 | Confident | 75.5 | Confident | 44 Ų | 44 | 40 Ų | 40 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 129.6 | -173.7 | -54.7 | -176.9 | -64.1 | 0 | 0 | 113.3 | A465 Q466 N467 Q506 | A465-Q486 PolarHBondContact O-N 3.48Å; Q466-Q486 CarbonylContact C-O 3.56Å; Q466-Q486 VanDerWaalsContact CA-O 3.27Å; Q466-Q486 WeakPolarHBondContact CA-O 3.46Å; Q466-Q486 HydrophobicContact CG-CB 4.26Å; N467-Q486 PolarHBondContact N-O 2.8Å; Q486-Q506 VanDerWaalsContact CA-O 3.25Å; Q486-Q506 WeakPolarHBondContact CA-O 3.22Å; Q486-Q506 HydrophobicContact CG-CB 4.18Å |
| 487 | N | 74.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.8 | 168 | -75.6 | -21.8 | 0 | 0 | 0 | 109.9 | N467 A475 E493 G494 Q506 S507 Q508 | N467-N487 WeakPolarHBondContact CB-OD1 3.2Å; N467-N487 WeakPolarHBondContact O-CA 3.22Å; A475-N487 WeakPolarHBondContact CB-OD1 3.33Å; N487-E493 PolarHBondContact ND2-O 2.88Å; N487-G494 PolarHBondContact ND2-O 3.35Å; N487-Q506 PolarHBondContact N-O 3.24Å; N487-S507 CarbonylContact O-C 3.58Å; N487-S507 WeakPolarHBondContact O-CA 3.19Å; N487-Q508 PolarHBondContact O-N 3.11Å |
| 488 | Q | 75.5 | Confident | 75.3 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 28% | 0.28 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.4 | 178 | -58.6 | -175.1 | 3 | 0 | 0 | 110.5 | N467 Q468 A469 Q508 | N467-Q488 PolarHBondContact O-N 3.32Å; Q468-Q488 WeakPolarHBondContact CA-O 3.42Å; Q468-Q488 HydrophobicContact CG-CB 4.27Å; A469-Q488 PolarHBondContact N-O 3.18Å; Q488-Q508 WeakPolarHBondContact CA-O 3.27Å; Q488-Q508 HydrophobicContact CG-CB 4.26Å |
| 489 | G | 74.5 | Confident | 75.2 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | -168.9 | -176 | 0 | 0 | 0 | 0 | 0 | 116.7 | A469 Q508 S509 | A469-G489 WeakPolarHBondContact O-CA 2.92Å; G489-Q508 PolarHBondContact N-O 3.03Å; G489-Q508 VanDerWaalsContact N-O 3.11Å; G489-S509 WeakPolarHBondContact O-CA 3.47Å |
| 490 | K | 77.8 | Confident | 75.2 | Confident | 121 Ų | 121 | 43.6 Ų | 43.6 | 53% | 0.526 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -40.9 | 167.5 | -65.1 | -172.3 | 178.1 | -171.5 | 0 | 110.5 | K470 K510 K511 | K470-K490 WeakPolarHBondContact O-CB 3.46Å; K470-K490 PolarHBondContact O-N 3.09Å; K490-K510 WeakPolarHBondContact O-CB 3.37Å; K490-K510 PolarHBondContact O-N 3.02Å; K490-K511 PolarHBondContact O-N 2.94Å |
| 491 | K | 73.7 | Confident | 75.1 | Confident | 101 Ų | 101 | 41.2 Ų | 41.2 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.9 | 170.2 | -62.8 | -169.4 | 176.5 | -164.1 | 0 | 108.7 | K470 K471 G472 K511 | K470-K491 PolarHBondContact O-N 3.01Å; K471-K491 WeakPolarHBondContact CA-O 3.3Å; K471-K491 HydrophobicContact CG-CB 4.38Å; G472-K491 PolarHBondContact N-O 3.24Å; K491-K511 VanDerWaalsContact CA-O 3.31Å; K491-K511 WeakPolarHBondContact CA-O 3.4Å |
| 492 | G | 67 | Low | 74.9 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 124.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G472 S509 K511 G512 E513 | G472-G492 CarbonylContact O-C 3.58Å; G472-G492 WeakPolarHBondContact O-CA 3.2Å; G492-S509 WeakPolarHBondContact CA-OG 3.25Å; G492-S509 PolarHBondContact N-OG 3.33Å; G492-K511 PolarHBondContact N-O 3.12Å; G492-G512 CarbonylContact O-C 3.59Å; G492-G512 WeakPolarHBondContact O-CA 3.37Å; G492-E513 PolarHBondContact O-N 2.94Å; G492-E513 VanDerWaalsContact O-N 3.08Å |
| 493 | E | 69.5 | Low | 75 | Confident | 74 Ų | 74 | 41 Ų | 41 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.6 | 179.9 | -60.3 | 177.1 | -167.6 | 0 | 0 | 111.7 | G472 E473 G474 N487 E513 | G472-E493 PolarHBondContact O-N 3.09Å; E473-E493 CarbonylContact C-O 3.57Å; E473-E493 VanDerWaalsContact CA-O 3.31Å; E473-E493 WeakPolarHBondContact CA-O 3.29Å; E473-E493 HydrophobicContact CG-CB 4.26Å; G474-E493 PolarHBondContact N-O 2.95Å; N487-E493 PolarHBondContact ND2-O 2.88Å; E493-E513 CarbonylContact C-O 3.56Å; E493-E513 VanDerWaalsContact CA-O 3.27Å; E493-E513 WeakPolarHBondContact CA-O 3.4Å; E493-E513 HydrophobicContact CG-CB 4.19Å |
| 494 | G | 69.8 | Low | 74.6 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.9 | 66.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | G474 A475 N487 E513 G514 | G474-G494 CarbonylContact C-O 3.58Å; G474-G494 WeakPolarHBondContact CA-O 3.46Å; A475-G494 PolarHBondContact N-O 3.05Å; N487-G494 PolarHBondContact ND2-O 3.35Å; G494-E513 PolarHBondContact N-O 3.31Å; G494-G514 CarbonylContact C-O 3.55Å; G494-G514 WeakPolarHBondContact CA-O 3.19Å; G494-G514 PolarHBondContact N-O 3.43Å |
| 495 | A | 76.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.8 | 164 | 0 | 0 | 0 | 0 | 0 | 109.4 | A475 A485 V505 G514 T515 Q516 | A475-A495 CarbonylContact O-C 3.56Å; A475-A495 WeakPolarHBondContact O-CA 3.34Å; A485-A495 HydrophobicContact CB-CB 4.44Å; A495-V505 VanDerWaalsContact C-CG1 3.47Å; A495-V505 HydrophobicContact CB-CG1 3.68Å; A495-V505 WeakPolarHBondContact O-CG1 3.28Å; A495-G514 PolarHBondContact N-O 2.95Å; A495-T515 HydrophobicContact CB-CG2 4.3Å; A495-T515 CarbonylContact O-C 3.56Å; A495-T515 VanDerWaalsContact O-CA 3.31Å; A495-T515 WeakPolarHBondContact O-CA 3.27Å; A495-Q516 PolarHBondContact O-N 2.87Å |
| 496 | Q | 77.7 | Confident | 74.4 | Confident | 37 Ų | 37 | 41.6 Ų | 41.6 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 136.2 | -176.2 | -49.7 | 177.3 | -51.9 | 0 | 0 | 114.3 | A475 Q476 N477 Q516 | A475-Q496 PolarHBondContact O-N 2.81Å; Q476-Q496 CarbonylContact C-O 3.57Å; Q476-Q496 WeakPolarHBondContact CA-O 3.19Å; Q476-Q496 HydrophobicContact CG-CB 4.2Å; N477-Q496 PolarHBondContact N-O 2.81Å; Q496-Q516 CarbonylContact C-O 3.53Å; Q496-Q516 WeakPolarHBondContact CA-O 3.44Å; Q496-Q516 HydrophobicContact CB-CB 4.42Å; Q496-Q516 HydrophobicContact CG-CB 3.96Å; Q496-Q516 HydrophobicContact CG-CG 4.48Å |
| 497 | N | 78.7 | Confident | 74.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.1 | 165.2 | -72.5 | -19.6 | 0 | 0 | 0 | 109.9 | N477 A485 A502 E503 V505 Q516 N517 Q518 | N477-N497 VanDerWaalsContact CB-OD1 3.23Å; N477-N497 WeakPolarHBondContact CB-OD1 3.33Å; N477-N497 PolarHBondContact N-OD1 3.33Å; N477-N497 PolarHBondContact ND2-OD1 2.83Å; N477-N497 WeakPolarHBondContact O-CA 3.32Å; A485-N497 WeakPolarHBondContact CB-OD1 3.42Å; N497-A502 HydrophobicContact CB-CB 3.9Å; N497-E503 PolarHBondContact ND2-O 2.84Å; N497-V505 HydrophobicContact CB-CG2 3.6Å; N497-V505 WeakPolarHBondContact ND2-CG2 3.44Å; N497-Q516 PolarHBondContact N-O 3.02Å; N497-N517 PolarHBondContact O-OD1 3.36Å; N497-Q518 PolarHBondContact O-N 2.92Å |
| 498 | Q | 77 | Confident | 74.1 | Confident | 67 Ų | 67 | 42.9 Ų | 42.9 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 123.3 | 176.7 | -64.2 | -177.4 | 9.8 | 0 | 0 | 110.2 | N477 Q478 G479 Q518 | N477-Q498 PolarHBondContact O-N 3.04Å; Q478-Q498 HydrophobicContact CG-CB 4.46Å; G479-Q498 PolarHBondContact N-O 3.04Å; Q498-Q518 WeakPolarHBondContact CA-O 3.3Å; Q498-Q518 HydrophobicContact CG-CB 4.39Å |
| 499 | G | 75.6 | Confident | 73.8 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 19% | 0.186 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | -174.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G479 K501 Q518 G519 | G479-G499 WeakPolarHBondContact O-CA 3.38Å; G499-K501 VanDerWaalsContact C-N 3.34Å; G499-Q518 PolarHBondContact N-O 3.09Å; G499-G519 WeakPolarHBondContact O-CA 3.37Å |
| 500 | K | 78.6 | Confident | 73.7 | Confident | 119 Ų | 119 | 45.1 Ų | 45.1 | 52% | 0.517 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -38.4 | 175.5 | -64.9 | -174.5 | 179.5 | -173.8 | 0 | 111.3 | K480 K520 K521 | K480-K500 WeakPolarHBondContact O-CA 3.17Å; K480-K500 WeakPolarHBondContact O-CB 3.33Å; K480-K500 PolarHBondContact O-N 3.49Å; K500-K520 WeakPolarHBondContact O-CA 3.33Å; K500-K520 WeakPolarHBondContact O-CB 2.85Å; K500-K520 PolarHBondContact O-N 2.98Å; K500-K521 PolarHBondContact O-N 3.28Å; K500-K521 VanDerWaalsContact O-N 3.11Å |
| 501 | K | 76.5 | Confident | 73.2 | Confident | 71 Ų | 71 | 43.2 Ų | 43.2 | 31% | 0.309 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127 | 171.3 | -171.6 | -176.1 | -169.4 | -104.1 | 0 | 107.4 | K480 K481 G482 E483 G499 E503 K521 | K480-K501 PolarHBondContact O-N 2.91Å; K480-K501 VanDerWaalsContact O-N 3.07Å; K481-K501 CarbonylContact C-O 3.6Å; K481-K501 VanDerWaalsContact CA-O 3.26Å; K481-K501 WeakPolarHBondContact CA-O 3.31Å; K481-K501 HydrophobicContact CG-CB 4.42Å; K481-K501 HydrophobicContact CG-CD 4.29Å; G482-K501 PolarHBondContact N-O 3.43Å; E483-K501 IonicContact OE1-NZ 2.79Å; E483-K501 PolarHBondContact OE1-NZ 3.35Å; G499-K501 VanDerWaalsContact C-N 3.34Å; K501-E503 WeakPolarHBondContact CE-OE1 3.13Å; K501-E503 IonicContact NZ-OE1 2.81Å; K501-E503 PolarHBondContact NZ-OE1 3.25Å; K501-E503 IonicContact NZ-OE2 2.93Å; K501-E503 PolarHBondContact NZ-OE2 3.12Å; K501-K521 WeakPolarHBondContact CA-O 3.26Å |
| 502 | A | 72.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 117.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G482 N497 N517 K521 G522 D523 | G482-A502 CarbonylContact O-C 3.56Å; G482-A502 VanDerWaalsContact O-CA 3.22Å; G482-A502 WeakPolarHBondContact O-CA 3.18Å; N497-A502 HydrophobicContact CB-CB 3.9Å; A502-N517 WeakPolarHBondContact CB-OD1 3.15Å; A502-N517 PolarHBondContact O-ND2 3.24Å; A502-N517 PolarHBondContact O-OD1 2.9Å; A502-K521 PolarHBondContact N-O 2.87Å; A502-G522 CarbonylContact O-C 3.58Å; A502-G522 WeakPolarHBondContact O-CA 3.31Å; A502-D523 PolarHBondContact O-N 3.28Å |
| 503 | E | 74.3 | Confident | 72.8 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.5 | -170.4 | -61.2 | 174.8 | 179.9 | 0 | 0 | 112.7 | G482 E483 G484 N497 K501 D523 | G482-E503 PolarHBondContact O-N 3.01Å; E483-E503 CarbonylContact C-O 3.56Å; E483-E503 VanDerWaalsContact CA-O 3.29Å; E483-E503 WeakPolarHBondContact CA-O 3.32Å; E483-E503 HydrophobicContact CG-CB 4.13Å; G484-E503 PolarHBondContact N-O 3Å; N497-E503 PolarHBondContact ND2-O 2.84Å; K501-E503 WeakPolarHBondContact CE-OE1 3.13Å; K501-E503 IonicContact NZ-OE1 2.81Å; K501-E503 PolarHBondContact NZ-OE1 3.25Å; K501-E503 IonicContact NZ-OE2 2.93Å; K501-E503 PolarHBondContact NZ-OE2 3.12Å; E503-D523 CarbonylContact C-O 3.55Å; E503-D523 VanDerWaalsContact CA-O 3.29Å; E503-D523 WeakPolarHBondContact CA-O 3.3Å; E503-D523 HydrophobicContact CG-CB 4.17Å |
| 504 | G | 68.3 | Low | 72.6 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.8 | 55.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G484 A485 D523 G524 | G484-G504 CarbonylContact C-O 3.47Å; G484-G504 WeakPolarHBondContact CA-O 3.18Å; G484-G504 PolarHBondContact N-O 3.47Å; A485-G504 PolarHBondContact N-O 3.39Å; G504-D523 PolarHBondContact N-O 2.94Å; G504-G524 WeakPolarHBondContact CA-O 3.02Å; G504-G524 PolarHBondContact N-O 3.41Å |
| 505 | V | 72.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.3 | 171.5 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | A485 A495 N497 T515 N517 G524 N525 P526 | A485-V505 CarbonylContact O-C 3.5Å; A485-V505 WeakPolarHBondContact O-CA 3.36Å; A495-V505 VanDerWaalsContact C-CG1 3.47Å; A495-V505 HydrophobicContact CB-CG1 3.68Å; A495-V505 WeakPolarHBondContact O-CG1 3.28Å; N497-V505 HydrophobicContact CB-CG2 3.6Å; N497-V505 WeakPolarHBondContact ND2-CG2 3.44Å; V505-T515 HydrophobicContact CG1-CG2 4.4Å; V505-N517 HydrophobicContact CG2-CB 3.98Å; V505-G524 PolarHBondContact N-O 3.29Å; V505-N525 CarbonylContact O-C 3.6Å; V505-N525 VanDerWaalsContact O-CA 3.27Å; V505-N525 WeakPolarHBondContact O-CA 3.35Å; V505-N525 PolarHBondContact O-OD1 3.05Å; V505-P526 VanDerWaalsContact O-CD 3.22Å; V505-P526 WeakPolarHBondContact O-CD 3.47Å |
| 506 | Q | 73.6 | Confident | 72.4 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.4 | -175.3 | -175.4 | 174.9 | 6.4 | 0 | 0 | 112.4 | A485 Q486 N487 Q508 P526 | A485-Q506 PolarHBondContact O-N 2.82Å; Q486-Q506 VanDerWaalsContact CA-O 3.25Å; Q486-Q506 WeakPolarHBondContact CA-O 3.22Å; Q486-Q506 HydrophobicContact CG-CB 4.18Å; N487-Q506 PolarHBondContact N-O 3.24Å; Q506-Q508 HydrophobicContact CG-CG 4.4Å; Q506-Q508 VanDerWaalsContact NE2-CD 3.26Å; Q506-P526 VanDerWaalsContact CA-O 3.3Å; Q506-P526 WeakPolarHBondContact CA-O 3.27Å; Q506-P526 HydrophobicContact CB-CG 4.17Å; Q506-P526 HydrophobicContact CG-CG 3.98Å |
| 507 | S | 71.7 | Confident | 72.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.7 | 165.6 | -170 | 0 | 0 | 0 | 0 | 109.3 | N487 P526 N527 Q528 | N487-S507 CarbonylContact O-C 3.58Å; N487-S507 WeakPolarHBondContact O-CA 3.19Å; S507-P526 PolarHBondContact N-O 3.15Å; S507-N527 PolarHBondContact O-OD1 2.67Å; S507-Q528 PolarHBondContact O-N 3.39Å |
| 508 | Q | 73.7 | Confident | 71.9 | Confident | 72 Ų | 72 | 41.6 Ų | 41.6 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 93.9 | 176.5 | -90.8 | -179 | -15.1 | 0 | 0 | 108.9 | N487 Q488 G489 Q506 Q528 | N487-Q508 PolarHBondContact O-N 3.11Å; Q488-Q508 WeakPolarHBondContact CA-O 3.27Å; Q488-Q508 HydrophobicContact CG-CB 4.26Å; G489-Q508 PolarHBondContact N-O 3.03Å; G489-Q508 VanDerWaalsContact N-O 3.11Å; Q506-Q508 HydrophobicContact CG-CG 4.4Å; Q506-Q508 VanDerWaalsContact NE2-CD 3.26Å; Q508-Q528 WeakPolarHBondContact CA-O 3.35Å; Q508-Q528 HydrophobicContact CG-CB 3.93Å |
| 509 | S | 70.3 | Confident | 71.7 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 152.3 | -175.1 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | G489 G492 K511 Q528 G529 | G489-S509 WeakPolarHBondContact O-CA 3.47Å; G492-S509 WeakPolarHBondContact CA-OG 3.25Å; G492-S509 PolarHBondContact N-OG 3.33Å; S509-K511 VanDerWaalsContact C-N 3.31Å; S509-K511 VanDerWaalsContact CB-O 3.3Å; S509-K511 WeakPolarHBondContact CB-O 3.16Å; S509-K511 PolarHBondContact O-N 3.34Å; S509-Q528 PolarHBondContact N-O 3.18Å; S509-G529 WeakPolarHBondContact O-CA 3.18Å |
| 510 | K | 71.7 | Confident | 71.6 | Confident | 127 Ų | 127 | 43.1 Ų | 43.1 | 55% | 0.552 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | -40.9 | 173.4 | -67.7 | -172.9 | 179.3 | -173.6 | 0 | 111.4 | K490 K530 K531 | K490-K510 WeakPolarHBondContact O-CB 3.37Å; K490-K510 PolarHBondContact O-N 3.02Å; K510-K530 WeakPolarHBondContact O-CB 3.27Å; K510-K530 PolarHBondContact O-N 3.21Å; K510-K531 PolarHBondContact O-N 3.18Å; K510-K531 VanDerWaalsContact O-N 3.14Å |
| 511 | K | 68.8 | Low | 71.3 | Confident | 81 Ų | 81 | 43.4 Ų | 43.4 | 35% | 0.352 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.9 | 166 | -168.7 | -170.8 | -173.5 | -119.4 | 0 | 107.2 | K490 K491 G492 S509 E513 K531 | K490-K511 PolarHBondContact O-N 2.94Å; K491-K511 VanDerWaalsContact CA-O 3.31Å; K491-K511 WeakPolarHBondContact CA-O 3.4Å; G492-K511 PolarHBondContact N-O 3.12Å; S509-K511 VanDerWaalsContact C-N 3.31Å; S509-K511 VanDerWaalsContact CB-O 3.3Å; S509-K511 WeakPolarHBondContact CB-O 3.16Å; S509-K511 PolarHBondContact O-N 3.34Å; K511-E513 IonicContact NZ-OE1 2.67Å; K511-E513 PolarHBondContact NZ-OE1 3.45Å; K511-K531 WeakPolarHBondContact CA-O 3.22Å |
| 512 | G | 64.4 | Low | 70.8 | Confident | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G492 K531 G532 E533 | G492-G512 CarbonylContact O-C 3.59Å; G492-G512 WeakPolarHBondContact O-CA 3.37Å; G512-K531 PolarHBondContact N-O 3.5Å; G512-G532 VanDerWaalsContact O-CA 3.29Å; G512-G532 WeakPolarHBondContact O-CA 3.47Å; G512-E533 PolarHBondContact O-N 3.28Å |
| 513 | E | 66.3 | Low | 70.5 | Confident | 55 Ų | 55 | 42.1 Ų | 42.1 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.2 | -176.3 | -56.7 | 177.9 | -165.6 | 0 | 0 | 109.9 | G492 E493 G494 K511 E533 | G492-E513 PolarHBondContact O-N 2.94Å; G492-E513 VanDerWaalsContact O-N 3.08Å; E493-E513 CarbonylContact C-O 3.56Å; E493-E513 VanDerWaalsContact CA-O 3.27Å; E493-E513 WeakPolarHBondContact CA-O 3.4Å; E493-E513 HydrophobicContact CG-CB 4.19Å; G494-E513 PolarHBondContact N-O 3.31Å; K511-E513 IonicContact NZ-OE1 2.67Å; K511-E513 PolarHBondContact NZ-OE1 3.45Å; E513-E533 CarbonylContact C-O 3.52Å; E513-E533 VanDerWaalsContact CA-O 3.29Å; E513-E533 WeakPolarHBondContact CA-O 2.94Å; E513-E533 HydrophobicContact CG-CB 4.22Å |
| 514 | G | 65.5 | Low | 69.9 | Low | 23 Ų | 23 | 41.4 Ų | 41.4 | 24% | 0.237 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75 | 88.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G494 A495 E533 G534 | G494-G514 CarbonylContact C-O 3.55Å; G494-G514 WeakPolarHBondContact CA-O 3.19Å; G494-G514 PolarHBondContact N-O 3.43Å; A495-G514 PolarHBondContact N-O 2.95Å; G514-E533 PolarHBondContact N-O 3.43Å; G514-G534 CarbonylContact C-O 3.55Å; G514-G534 WeakPolarHBondContact CA-O 3.22Å |
| 515 | T | 71.2 | Confident | 69.8 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.5 | 161.4 | 60.1 | 0 | 0 | 0 | 0 | 110 | A495 V505 N525 N527 G534 A535 S536 | A495-T515 HydrophobicContact CB-CG2 4.3Å; A495-T515 CarbonylContact O-C 3.56Å; A495-T515 VanDerWaalsContact O-CA 3.31Å; A495-T515 WeakPolarHBondContact O-CA 3.27Å; V505-T515 HydrophobicContact CG1-CG2 4.4Å; T515-N525 WeakPolarHBondContact CB-OD1 3.21Å; T515-N525 PolarHBondContact O-ND2 3.02Å; T515-N525 PolarHBondContact OG1-OD1 3.24Å; T515-N527 HydrophobicContact CG2-CB 4.36Å; T515-G534 PolarHBondContact N-O 3.14Å; T515-A535 CarbonylContact O-C 3.6Å; T515-A535 WeakPolarHBondContact O-CA 3.39Å; T515-A535 WeakPolarHBondContact OG1-CB 3.32Å; T515-S536 PolarHBondContact O-N 3.4Å |
| 516 | Q | 71.4 | Confident | 69.5 | Low | 63 Ų | 63 | 41.1 Ų | 41.1 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.1 | -176.2 | -57.7 | -172.4 | -25.4 | 0 | 0 | 112.7 | A495 Q496 N497 S536 | A495-Q516 PolarHBondContact O-N 2.87Å; Q496-Q516 CarbonylContact C-O 3.53Å; Q496-Q516 WeakPolarHBondContact CA-O 3.44Å; Q496-Q516 HydrophobicContact CB-CB 4.42Å; Q496-Q516 HydrophobicContact CG-CB 3.96Å; Q496-Q516 HydrophobicContact CG-CG 4.48Å; N497-Q516 PolarHBondContact N-O 3.02Å; Q516-S536 WeakPolarHBondContact CA-O 3.42Å |
| 517 | N | 71.8 | Confident | 69.1 | Low | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.8 | 174.3 | -166.7 | 13.1 | 0 | 0 | 0 | 108.9 | N497 A502 V505 S536 N537 Q538 | N497-N517 PolarHBondContact O-OD1 3.36Å; A502-N517 WeakPolarHBondContact CB-OD1 3.15Å; A502-N517 PolarHBondContact O-ND2 3.24Å; A502-N517 PolarHBondContact O-OD1 2.9Å; V505-N517 HydrophobicContact CG2-CB 3.98Å; N517-S536 PolarHBondContact N-O 3.06Å; N517-N537 WeakPolarHBondContact CB-OD1 3.38Å; N517-N537 WeakPolarHBondContact O-CA 3.49Å; N517-N537 PolarHBondContact O-OD1 3Å; N517-N537 VanDerWaalsContact O-OD1 3.09Å; N517-Q538 PolarHBondContact O-N 3.37Å |
| 518 | Q | 73.3 | Confident | 68.9 | Low | 58 Ų | 58 | 42.1 Ų | 42.1 | 27% | 0.271 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.5 | -174.5 | -59.6 | -174.1 | 9 | 0 | 0 | 111.8 | N497 Q498 G499 Q538 N539 | N497-Q518 PolarHBondContact O-N 2.92Å; Q498-Q518 WeakPolarHBondContact CA-O 3.3Å; Q498-Q518 HydrophobicContact CG-CB 4.39Å; G499-Q518 PolarHBondContact N-O 3.09Å; Q518-Q538 HydrophobicContact CG-CB 4.28Å; Q518-N539 VanDerWaalsContact C-OD1 3.29Å; Q518-N539 WeakPolarHBondContact CA-OD1 3.12Å |
| 519 | G | 72.8 | Confident | 68.4 | Low | 23 Ų | 23 | 39.7 Ų | 39.7 | 24% | 0.237 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.1 | -163.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | G499 Q538 N539 | G499-G519 WeakPolarHBondContact O-CA 3.37Å; G519-Q538 PolarHBondContact N-O 2.82Å; G519-N539 PolarHBondContact N-OD1 3.04Å; G519-N539 VanDerWaalsContact O-CA 3.3Å; G519-N539 WeakPolarHBondContact O-CA 3.5Å |
| 520 | K | 74.2 | Confident | 68.2 | Low | 94 Ų | 94 | 46 Ų | 46 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -40 | 173.5 | -64.4 | -173.1 | 178 | -173.5 | 0 | 111.2 | K500 R540 K541 | K500-K520 WeakPolarHBondContact O-CA 3.33Å; K500-K520 WeakPolarHBondContact O-CB 2.85Å; K500-K520 PolarHBondContact O-N 2.98Å; K520-R540 VanDerWaalsContact O-CB 3.28Å; K520-R540 WeakPolarHBondContact O-CB 3.39Å; K520-R540 PolarHBondContact O-N 3.11Å; K520-R540 VanDerWaalsContact O-N 3.12Å; K520-K541 PolarHBondContact O-N 3.21Å |
| 521 | K | 72.3 | Confident | 67.9 | Low | 124 Ų | 124 | 45.4 Ų | 45.4 | 54% | 0.539 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.7 | 173.8 | -64.9 | -173.7 | 178.6 | -171.8 | 0 | 108.4 | K500 K501 A502 K541 | K500-K521 PolarHBondContact O-N 3.28Å; K500-K521 VanDerWaalsContact O-N 3.11Å; K501-K521 WeakPolarHBondContact CA-O 3.26Å; A502-K521 PolarHBondContact N-O 2.87Å; K521-K541 WeakPolarHBondContact CA-O 3.38Å |
| 522 | G | 65.7 | Low | 67.6 | Low | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -177.5 | 145.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A502 N539 K541 T542 | A502-G522 CarbonylContact O-C 3.58Å; A502-G522 WeakPolarHBondContact O-CA 3.31Å; G522-N539 WeakPolarHBondContact CA-ND2 3.23Å; G522-N539 PolarHBondContact N-ND2 2.94Å; G522-N539 PolarHBondContact O-ND2 3.23Å; G522-K541 PolarHBondContact N-O 3.23Å; G522-K541 VanDerWaalsContact N-O 3.12Å; G522-T542 WeakPolarHBondContact O-CA 3.23Å; G522-T542 WeakPolarHBondContact O-CG2 3.4Å; G522-T542 PolarHBondContact O-OG1 2.93Å | ||
| 523 | D | 66.6 | Low | 67.6 | Low | 45 Ų | 45 | 45.4 Ų | 45.4 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | trans | -127.1 | 148 | -166.2 | -54.1 | -33.5 | 0 | 0 | 0 | 110.6 | A502 E503 G504 D543 | A502-D523 PolarHBondContact O-N 3.28Å; E503-D523 CarbonylContact C-O 3.55Å; E503-D523 VanDerWaalsContact CA-O 3.29Å; E503-D523 WeakPolarHBondContact CA-O 3.3Å; E503-D523 HydrophobicContact CG-CB 4.17Å; G504-D523 PolarHBondContact N-O 2.94Å; D523-D543 WeakPolarHBondContact CA-O 3.18Å; D523-D543 HydrophobicContact CB-CB 4.41Å; D523-D543 WeakPolarHBondContact OD1-CB 3.29Å; D523-D543 PolarHBondContact OD1-N 2.67Å | ||
| 524 | G | 62.4 | Low | 67.4 | Low | 23 Ų | 23 | 44.2 Ų | 44.2 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | trans | 65.6 | 93 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G504 V505 D543 T544 | G504-G524 WeakPolarHBondContact CA-O 3.02Å; G504-G524 PolarHBondContact N-O 3.41Å; V505-G524 PolarHBondContact N-O 3.29Å; G524-D543 PolarHBondContact N-O 3.08Å; G524-T544 WeakPolarHBondContact CA-O 3.27Å; G524-T544 PolarHBondContact N-O 2.92Å | ||
| 525 | N | 65.3 | Low | 67.4 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -120.9 | 63.3 | 169 | -167.4 | -2.9 | 0 | 0 | 0 | 113.1 | V505 T515 S536 V545 | V505-N525 CarbonylContact O-C 3.6Å; V505-N525 VanDerWaalsContact O-CA 3.27Å; V505-N525 WeakPolarHBondContact O-CA 3.35Å; V505-N525 PolarHBondContact O-OD1 3.05Å; T515-N525 WeakPolarHBondContact CB-OD1 3.21Å; T515-N525 PolarHBondContact O-ND2 3.02Å; T515-N525 PolarHBondContact OG1-OD1 3.24Å; N525-S536 PolarHBondContact ND2-O 2.84Å; N525-S536 VanDerWaalsContact ND2-O 3.09Å; N525-V545 HydrophobicContact CB-CG1 4.43Å; N525-V545 HydrophobicContact CB-CG2 4.49Å | ||
| 526 | P | 65.9 | Low | 67.2 | Low | 27 Ų | 27 | 44.1 Ų | 44.1 | 18% | 0.175 | 23% | 0.232 | C | C | . | . | trans | -80.3 | 126.6 | -178.4 | 29 | -34.1 | 0 | 0 | 0 | 114.5 | V505 Q506 S507 A546 | V505-P526 VanDerWaalsContact O-CD 3.22Å; V505-P526 WeakPolarHBondContact O-CD 3.47Å; Q506-P526 VanDerWaalsContact CA-O 3.3Å; Q506-P526 WeakPolarHBondContact CA-O 3.27Å; Q506-P526 HydrophobicContact CB-CG 4.17Å; Q506-P526 HydrophobicContact CG-CG 3.98Å; S507-P526 PolarHBondContact N-O 3.15Å; P526-A546 WeakPolarHBondContact CA-O 3.39Å; P526-A546 VanDerWaalsContact CB-O 3.23Å; P526-A546 WeakPolarHBondContact CB-O 3.3Å | ||
| 527 | N | 65.4 | Low | 66.9 | Low | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.5 | 164.9 | -167 | 7.3 | 0 | 0 | 0 | 109.7 | S507 T515 N547 Q548 | S507-N527 PolarHBondContact O-OD1 2.67Å; T515-N527 HydrophobicContact CG2-CB 4.36Å; N527-N547 WeakPolarHBondContact CA-OD1 3.24Å; N527-N547 VanDerWaalsContact CB-OD1 3.24Å; N527-N547 WeakPolarHBondContact CB-OD1 3.47Å; N527-N547 PolarHBondContact N-OD1 3.08Å; N527-Q548 PolarHBondContact O-N 2.99Å; N527-Q548 VanDerWaalsContact O-N 3.16Å |
| 528 | Q | 67.1 | Low | 67 | Low | 60 Ų | 60 | 45.1 Ų | 45.1 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.6 | -177.6 | -68.6 | -177.9 | -1.3 | 0 | 0 | 110.8 | S507 Q508 S509 Q548 | S507-Q528 PolarHBondContact O-N 3.39Å; Q508-Q528 WeakPolarHBondContact CA-O 3.35Å; Q508-Q528 HydrophobicContact CG-CB 3.93Å; S509-Q528 PolarHBondContact N-O 3.18Å; Q528-Q548 WeakPolarHBondContact CA-O 3.44Å; Q528-Q548 HydrophobicContact CG-CB 4.38Å |
| 529 | G | 65 | Low | 66.8 | Low | 21 Ų | 21 | 42.7 Ų | 42.7 | 22% | 0.216 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.8 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | S509 Q548 G549 T550 | S509-G529 WeakPolarHBondContact O-CA 3.18Å; G529-Q548 PolarHBondContact N-O 2.86Å; G529-Q548 VanDerWaalsContact N-O 3.16Å; G529-G549 WeakPolarHBondContact O-CA 3.43Å; G529-T550 PolarHBondContact O-N 3.07Å |
| 530 | K | 66.1 | Low | 66.6 | Low | 140 Ų | 140 | 47.8 Ų | 47.8 | 61% | 0.609 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -40.3 | 172.4 | -68.9 | -168.9 | 176.9 | -167.5 | 0 | 110.9 | K510 T550 K551 | K510-K530 WeakPolarHBondContact O-CB 3.27Å; K510-K530 PolarHBondContact O-N 3.21Å; K530-T550 VanDerWaalsContact O-CB 3.28Å; K530-T550 WeakPolarHBondContact O-CB 3.18Å; K530-T550 PolarHBondContact O-N 3.34Å; K530-K551 PolarHBondContact O-N 3.19Å |
| 531 | K | 64.4 | Low | 66.2 | Low | 113 Ų | 113 | 48.9 Ų | 48.9 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 118.6 | 172.5 | -64.4 | -174.1 | 179.6 | -173.2 | 0 | 108.8 | K510 K511 G512 K551 | K510-K531 PolarHBondContact O-N 3.18Å; K510-K531 VanDerWaalsContact O-N 3.14Å; K511-K531 WeakPolarHBondContact CA-O 3.22Å; G512-K531 PolarHBondContact N-O 3.5Å; K531-K551 WeakPolarHBondContact CA-O 3.3Å |
| 532 | G | 63.1 | Low | 65.9 | Low | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G512 K551 Q552 E553 | G512-G532 VanDerWaalsContact O-CA 3.29Å; G512-G532 WeakPolarHBondContact O-CA 3.47Å; G532-K551 PolarHBondContact N-O 3.39Å; G532-Q552 WeakPolarHBondContact O-CA 3.31Å; G532-Q552 PolarHBondContact O-OE1 2.94Å; G532-E553 PolarHBondContact O-N 3.04Å; G532-E553 VanDerWaalsContact O-N 3.12Å |
| 533 | E | 63.2 | Low | 65.7 | Low | 81 Ų | 81 | 46.4 Ų | 46.4 | 38% | 0.379 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.2 | 173.7 | -63.4 | 171.5 | -156.4 | 0 | 0 | 110.3 | G512 E513 G514 E553 | G512-E533 PolarHBondContact O-N 3.28Å; E513-E533 CarbonylContact C-O 3.52Å; E513-E533 VanDerWaalsContact CA-O 3.29Å; E513-E533 WeakPolarHBondContact CA-O 2.94Å; E513-E533 HydrophobicContact CG-CB 4.22Å; G514-E533 PolarHBondContact N-O 3.43Å; E533-E553 CarbonylContact C-O 3.59Å; E533-E553 WeakPolarHBondContact CA-O 3.5Å; E533-E553 HydrophobicContact CG-CB 4.34Å |
| 534 | G | 62.5 | Low | 65.3 | Low | 30 Ų | 30 | 47.7 Ų | 47.7 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.6 | 61.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | G514 T515 E553 G554 | G514-G534 CarbonylContact C-O 3.55Å; G514-G534 WeakPolarHBondContact CA-O 3.22Å; T515-G534 PolarHBondContact N-O 3.14Å; G534-E553 PolarHBondContact N-O 3.07Å; G534-G554 WeakPolarHBondContact CA-O 3.38Å |
| 535 | A | 65.2 | Low | 65.1 | Low | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T515 N547 G554 V555 S556 | T515-A535 CarbonylContact O-C 3.6Å; T515-A535 WeakPolarHBondContact O-CA 3.39Å; T515-A535 WeakPolarHBondContact OG1-CB 3.32Å; A535-N547 WeakPolarHBondContact CB-ND2 3.31Å; A535-G554 PolarHBondContact N-O 3.23Å; A535-V555 HydrophobicContact CB-CG1 4.39Å; A535-V555 CarbonylContact O-C 3.54Å; A535-V555 WeakPolarHBondContact O-CA 3.34Å; A535-S556 PolarHBondContact O-N 2.94Å |
| 536 | S | 68.1 | Low | 64.9 | Low | 19 Ų | 19 | 47.8 Ų | 47.8 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.6 | 178.1 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | T515 Q516 N517 N525 S556 | T515-S536 PolarHBondContact O-N 3.4Å; Q516-S536 WeakPolarHBondContact CA-O 3.42Å; N517-S536 PolarHBondContact N-O 3.06Å; N525-S536 PolarHBondContact ND2-O 2.84Å; N525-S536 VanDerWaalsContact ND2-O 3.09Å; S536-S556 VanDerWaalsContact CA-O 3.26Å; S536-S556 WeakPolarHBondContact CA-O 3.48Å; S536-S556 PolarHBondContact OG-O 2.96Å |
| 537 | N | 65.6 | Low | 64.7 | Low | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 112.7 | 174.8 | -144.2 | -14.6 | 0 | 0 | 0 | 110 | N517 N539 T542 V545 S556 N557 Q558 | N517-N537 WeakPolarHBondContact CB-OD1 3.38Å; N517-N537 WeakPolarHBondContact O-CA 3.49Å; N517-N537 PolarHBondContact O-OD1 3Å; N517-N537 VanDerWaalsContact O-OD1 3.09Å; N537-N539 VanDerWaalsContact OD1-CG 3.29Å; N537-N539 PolarHBondContact OD1-ND2 2.86Å; N537-T542 WeakPolarHBondContact ND2-CG2 3.35Å; N537-V545 HydrophobicContact CB-CG2 4.29Å; N537-V545 WeakPolarHBondContact ND2-CG2 3.29Å; N537-S556 PolarHBondContact N-O 3.36Å; N537-N557 WeakPolarHBondContact CB-OD1 3.45Å; N537-N557 WeakPolarHBondContact O-CA 3.35Å; N537-Q558 PolarHBondContact O-N 3.29Å |
| 538 | Q | 72.1 | Confident | 64.5 | Low | 85 Ų | 85 | 51 Ų | 51 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 74 | 178.7 | -67 | -174.3 | -1.6 | 0 | 0 | 109.9 | N517 Q518 G519 | N517-Q538 PolarHBondContact O-N 3.37Å; Q518-Q538 HydrophobicContact CG-CB 4.28Å; G519-Q538 PolarHBondContact N-O 2.82Å |
| 539 | N | 69.3 | Low | 64.3 | Low | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 161.8 | -178.8 | -62.7 | -16.6 | 0 | 0 | 0 | 111.9 | Q518 G519 G522 N537 K541 T542 V559 | Q518-N539 VanDerWaalsContact C-OD1 3.29Å; Q518-N539 WeakPolarHBondContact CA-OD1 3.12Å; G519-N539 PolarHBondContact N-OD1 3.04Å; G519-N539 VanDerWaalsContact O-CA 3.3Å; G519-N539 WeakPolarHBondContact O-CA 3.5Å; G522-N539 WeakPolarHBondContact CA-ND2 3.23Å; G522-N539 PolarHBondContact N-ND2 2.94Å; G522-N539 PolarHBondContact O-ND2 3.23Å; N537-N539 VanDerWaalsContact OD1-CG 3.29Å; N537-N539 PolarHBondContact OD1-ND2 2.86Å; N539-K541 WeakPolarHBondContact CB-O 3.06Å; N539-T542 WeakPolarHBondContact CB-OG1 3.39Å; N539-T542 PolarHBondContact ND2-OG1 3.03Å; N539-V559 HydrophobicContact CB-CG1 4.24Å; N539-V559 VanDerWaalsContact O-CA 3.27Å; N539-V559 WeakPolarHBondContact O-CA 3.5Å; N539-V559 WeakPolarHBondContact O-CG1 3.33Å |
| 540 | R | 68.4 | Low | 64.2 | Low | 131 Ų | 131 | 50.9 Ų | 50.9 | 49% | 0.494 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -34.8 | 170.6 | -57.8 | 176.6 | -175.2 | 170.5 | -2.5 | 111.7 | K520 K560 K561 | K520-R540 VanDerWaalsContact O-CB 3.28Å; K520-R540 WeakPolarHBondContact O-CB 3.39Å; K520-R540 PolarHBondContact O-N 3.11Å; K520-R540 VanDerWaalsContact O-N 3.12Å; R540-K560 WeakPolarHBondContact O-CB 3.26Å; R540-K560 PolarHBondContact O-N 3.3Å; R540-K560 VanDerWaalsContact O-N 3.14Å; R540-K561 PolarHBondContact O-N 3.22Å |
| 541 | K | 67.6 | Low | 64.1 | Low | 116 Ų | 116 | 49 Ų | 49 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 136.1 | 174.9 | -61.7 | -173.9 | 178.6 | -169.6 | 0 | 108.7 | K520 K521 G522 N539 K561 | K520-K541 PolarHBondContact O-N 3.21Å; K521-K541 WeakPolarHBondContact CA-O 3.38Å; G522-K541 PolarHBondContact N-O 3.23Å; G522-K541 VanDerWaalsContact N-O 3.12Å; N539-K541 WeakPolarHBondContact CB-O 3.06Å; K541-K561 WeakPolarHBondContact CA-O 2.89Å |
| 542 | T | 64.3 | Low | 63.9 | Low | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 132 | 179 | -70.2 | 0 | 0 | 0 | 0 | 110.8 | G522 N537 N539 V545 V559 K561 S562 E563 | G522-T542 WeakPolarHBondContact O-CA 3.23Å; G522-T542 WeakPolarHBondContact O-CG2 3.4Å; G522-T542 PolarHBondContact O-OG1 2.93Å; N537-T542 WeakPolarHBondContact ND2-CG2 3.35Å; N539-T542 WeakPolarHBondContact CB-OG1 3.39Å; N539-T542 PolarHBondContact ND2-OG1 3.03Å; T542-V545 HydrophobicContact CG2-CG2 4.02Å; T542-V559 VanDerWaalsContact OG1-CG1 3.27Å; T542-V559 WeakPolarHBondContact OG1-CG1 3.39Å; T542-K561 PolarHBondContact N-O 3.38Å; T542-S562 VanDerWaalsContact O-CA 3.3Å; T542-S562 WeakPolarHBondContact O-CA 3.16Å; T542-E563 PolarHBondContact O-N 3.11Å |
| 543 | D | 62.3 | Low | 63.8 | Low | 71 Ų | 71 | 47 Ų | 47 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.4 | 169 | -53.2 | -23.2 | 0 | 0 | 0 | 108.7 | D523 G524 | D523-D543 WeakPolarHBondContact CA-O 3.18Å; D523-D543 HydrophobicContact CB-CB 4.41Å; D523-D543 WeakPolarHBondContact OD1-CB 3.29Å; D523-D543 PolarHBondContact OD1-N 2.67Å; G524-D543 PolarHBondContact N-O 3.08Å |
| 544 | T | 57.7 | Low | 63.5 | Low | 71 Ų | 71 | 45 Ų | 45 | 44% | 0.436 | 24% | 0.243 | S | C | . | . | trans | 57.1 | 117.9 | 171.7 | -53.4 | 0 | 0 | 0 | 0 | 118 | G524 A546 E563 G564 | G524-T544 WeakPolarHBondContact CA-O 3.27Å; G524-T544 PolarHBondContact N-O 2.92Å; T544-A546 HydrophobicContact CG2-CB 4.32Å; T544-E563 WeakPolarHBondContact CA-O 3.38Å; T544-E563 PolarHBondContact N-O 3.06Å; T544-G564 WeakPolarHBondContact CA-O 3.36Å | ||
| 545 | V | 58.9 | Low | 63.3 | Low | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | trans | -119.4 | 107.7 | 162.3 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | N525 N537 T542 V555 G564 S565 P566 | N525-V545 HydrophobicContact CB-CG1 4.43Å; N525-V545 HydrophobicContact CB-CG2 4.49Å; N537-V545 HydrophobicContact CB-CG2 4.29Å; N537-V545 WeakPolarHBondContact ND2-CG2 3.29Å; T542-V545 HydrophobicContact CG2-CG2 4.02Å; V545-V555 HydrophobicContact CG1-CG1 4.23Å; V545-G564 PolarHBondContact N-O 3.35Å; V545-S565 CarbonylContact O-C 3.26Å; V545-S565 VanDerWaalsContact O-C 3.26Å; V545-S565 WeakPolarHBondContact O-CA 3.37Å; V545-P566 WeakPolarHBondContact O-CD 3.34Å | ||
| 546 | A | 60.5 | Low | 63.2 | Low | 25 Ų | 25 | 45.4 Ų | 45.4 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | trans | -112.5 | 110.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P526 T544 P566 | P526-A546 WeakPolarHBondContact CA-O 3.39Å; P526-A546 VanDerWaalsContact CB-O 3.23Å; P526-A546 WeakPolarHBondContact CB-O 3.3Å; T544-A546 HydrophobicContact CG2-CB 4.32Å; A546-P566 WeakPolarHBondContact CA-O 2.95Å; A546-P566 HydrophobicContact CB-CG 4.12Å | ||
| 547 | N | 61.6 | Low | 62.8 | Low | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.6 | 174 | -67.9 | -45.1 | 0 | 0 | 0 | 110.3 | N527 A535 V555 P566 N567 Q568 | N527-N547 WeakPolarHBondContact CA-OD1 3.24Å; N527-N547 VanDerWaalsContact CB-OD1 3.24Å; N527-N547 WeakPolarHBondContact CB-OD1 3.47Å; N527-N547 PolarHBondContact N-OD1 3.08Å; A535-N547 WeakPolarHBondContact CB-ND2 3.31Å; N547-V555 WeakPolarHBondContact ND2-CG2 3.44Å; N547-P566 PolarHBondContact N-O 3.16Å; N547-P566 VanDerWaalsContact N-O 3.09Å; N547-N567 WeakPolarHBondContact O-CA 3.22Å; N547-N567 PolarHBondContact O-OD1 3.28Å; N547-Q568 PolarHBondContact O-N 3.06Å |
| 548 | Q | 61.9 | Low | 62.7 | Low | 92 Ų | 92 | 49.4 Ų | 49.4 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.6 | -179.7 | -61.5 | -175.4 | 37.5 | 0 | 0 | 110.1 | N527 Q528 G529 Q552 Q568 | N527-Q548 PolarHBondContact O-N 2.99Å; N527-Q548 VanDerWaalsContact O-N 3.16Å; Q528-Q548 WeakPolarHBondContact CA-O 3.44Å; Q528-Q548 HydrophobicContact CG-CB 4.38Å; G529-Q548 PolarHBondContact N-O 2.86Å; G529-Q548 VanDerWaalsContact N-O 3.16Å; Q548-Q552 PolarHBondContact O-NE2 3.45Å; Q548-Q568 WeakPolarHBondContact CA-O 3.38Å; Q548-Q568 HydrophobicContact CG-CB 4.39Å |
| 549 | G | 62.1 | Low | 62.2 | Low | 19 Ų | 19 | 45.6 Ų | 45.6 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 175 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G529 Q568 G569 | G529-G549 WeakPolarHBondContact O-CA 3.43Å; G549-Q568 PolarHBondContact N-O 3.02Å; G549-G569 WeakPolarHBondContact O-CA 3.17Å |
| 550 | T | 63.2 | Low | 61.9 | Low | 60 Ų | 60 | 51.3 Ų | 51.3 | 37% | 0.368 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | -38.6 | 179.1 | -43.8 | 0 | 0 | 0 | 0 | 111.6 | G529 K530 K570 K571 | G529-T550 PolarHBondContact O-N 3.07Å; K530-T550 VanDerWaalsContact O-CB 3.28Å; K530-T550 WeakPolarHBondContact O-CB 3.18Å; K530-T550 PolarHBondContact O-N 3.34Å; T550-K570 HydrophobicContact CG2-CB 4.24Å; T550-K570 HydrophobicContact CG2-CD 3.77Å; T550-K570 HydrophobicContact CG2-CG 4.02Å; T550-K570 WeakPolarHBondContact O-CB 3.16Å; T550-K570 PolarHBondContact O-N 3.15Å; T550-K570 VanDerWaalsContact O-N 3.11Å; T550-K571 PolarHBondContact O-N 3.16Å |
| 551 | K | 63.4 | Low | 61.6 | Low | 101 Ų | 101 | 49 Ų | 49 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 127.8 | 172.5 | -61.6 | -172.2 | 177.6 | -167.6 | 0 | 109.3 | K530 K531 G532 K571 | K530-K551 PolarHBondContact O-N 3.19Å; K531-K551 WeakPolarHBondContact CA-O 3.3Å; G532-K551 PolarHBondContact N-O 3.39Å; K551-K571 WeakPolarHBondContact CA-O 3.49Å |
| 552 | Q | 61.1 | Low | 61.3 | Low | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.2 | 178.4 | -69.2 | -69.1 | -24.1 | 0 | 0 | 109.6 | G532 Q548 K571 A572 E573 | G532-Q552 WeakPolarHBondContact O-CA 3.31Å; G532-Q552 PolarHBondContact O-OE1 2.94Å; Q548-Q552 PolarHBondContact O-NE2 3.45Å; Q552-K571 PolarHBondContact N-O 2.92Å; Q552-K571 VanDerWaalsContact N-O 3.11Å; Q552-A572 VanDerWaalsContact O-CA 3.31Å; Q552-A572 WeakPolarHBondContact O-CA 3.36Å; Q552-E573 PolarHBondContact O-N 3.43Å; Q552-E573 VanDerWaalsContact O-N 3.15Å |
| 553 | E | 60.8 | Low | 61 | Low | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.3 | 179.2 | -62 | 175.5 | -170.4 | 0 | 0 | 110.6 | G532 E533 G534 E573 | G532-E553 PolarHBondContact O-N 3.04Å; G532-E553 VanDerWaalsContact O-N 3.12Å; E533-E553 CarbonylContact C-O 3.59Å; E533-E553 WeakPolarHBondContact CA-O 3.5Å; E533-E553 HydrophobicContact CG-CB 4.34Å; G534-E553 PolarHBondContact N-O 3.07Å; E553-E573 HydrophobicContact CG-CB 4.26Å |
| 554 | G | 56.7 | Low | 60.5 | Low | 38 Ų | 38 | 44.8 Ų | 44.8 | 39% | 0.392 | 24% | 0.242 | S | C | . | . | trans | 78.1 | 49.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | G534 A535 E573 G574 | G534-G554 WeakPolarHBondContact CA-O 3.38Å; A535-G554 PolarHBondContact N-O 3.23Å; G554-E573 PolarHBondContact N-O 3.06Å; G554-G574 WeakPolarHBondContact CA-O 3.44Å | ||
| 555 | V | 59 | Low | 60.3 | Low | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -88 | 106.4 | 173.7 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | A535 V545 N547 G574 A575 | A535-V555 HydrophobicContact CB-CG1 4.39Å; A535-V555 CarbonylContact O-C 3.54Å; A535-V555 WeakPolarHBondContact O-CA 3.34Å; V545-V555 HydrophobicContact CG1-CG1 4.23Å; N547-V555 WeakPolarHBondContact ND2-CG2 3.44Å; V555-G574 PolarHBondContact N-O 3.11Å; V555-G574 VanDerWaalsContact N-O 3.16Å; V555-A575 HydrophobicContact CB-CB 4.39Å; V555-A575 CarbonylContact O-C 3.57Å; V555-A575 WeakPolarHBondContact O-CA 3.44Å | ||
| 556 | S | 61.5 | Low | 60.2 | Low | 34 Ų | 34 | 43.7 Ų | 43.7 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.9 | -178.6 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | A535 S536 N537 | A535-S556 PolarHBondContact O-N 2.94Å; S536-S556 VanDerWaalsContact CA-O 3.26Å; S536-S556 WeakPolarHBondContact CA-O 3.48Å; S536-S556 PolarHBondContact OG-O 2.96Å; N537-S556 PolarHBondContact N-O 3.36Å |
| 557 | N | 60.4 | Low | 60 | Low | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.9 | 171.3 | -50.2 | -57.5 | 0 | 0 | 0 | 111 | N537 V559 S565 P576 N577 Q578 | N537-N557 WeakPolarHBondContact CB-OD1 3.45Å; N537-N557 WeakPolarHBondContact O-CA 3.35Å; N557-V559 HydrophobicContact CB-CG2 3.87Å; N557-S565 PolarHBondContact ND2-OG 3.09Å; N557-P576 PolarHBondContact N-O 3.04Å; N557-N577 VanDerWaalsContact CB-OD1 3.23Å; N557-N577 WeakPolarHBondContact CB-OD1 3.46Å; N557-N577 PolarHBondContact ND2-OD1 3.26Å; N557-Q578 PolarHBondContact O-N 3.21Å |
| 558 | Q | 64.1 | Low | 59.8 | Low | 102 Ų | 102 | 47 Ų | 47 | 48% | 0.477 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 97.6 | 167.5 | -72.1 | -176.7 | 18.3 | 0 | 0 | 108.3 | N537 | N537-Q558 PolarHBondContact O-N 3.29Å |
| 559 | V | 61.4 | Low | 59.6 | Low | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | trans | -139.8 | 136.9 | -168.3 | -87.5 | 0 | 0 | 0 | 0 | 112.2 | N539 T542 N557 Q578 G579 | N539-V559 HydrophobicContact CB-CG1 4.24Å; N539-V559 VanDerWaalsContact O-CA 3.27Å; N539-V559 WeakPolarHBondContact O-CA 3.5Å; N539-V559 WeakPolarHBondContact O-CG1 3.33Å; T542-V559 VanDerWaalsContact OG1-CG1 3.27Å; T542-V559 WeakPolarHBondContact OG1-CG1 3.39Å; N557-V559 HydrophobicContact CB-CG2 3.87Å; V559-Q578 PolarHBondContact N-O 2.85Å; V559-Q578 VanDerWaalsContact O-O 3.12Å; V559-G579 WeakPolarHBondContact O-CA 3.3Å | ||
| 560 | K | 62.9 | Low | 59.4 | Low | 125 Ų | 125 | 49 Ų | 49 | 54% | 0.543 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -74 | -37.2 | 178.4 | -63.7 | -175.7 | 177.1 | -177.2 | 0 | 112.3 | R540 K580 K581 | R540-K560 WeakPolarHBondContact O-CB 3.26Å; R540-K560 PolarHBondContact O-N 3.3Å; R540-K560 VanDerWaalsContact O-N 3.14Å; K560-K580 WeakPolarHBondContact O-CB 3.42Å; K560-K580 PolarHBondContact O-N 3.29Å; K560-K580 VanDerWaalsContact O-N 3.08Å; K560-K581 PolarHBondContact O-N 3.05Å |
| 561 | K | 61.9 | Low | 59.1 | Low | 82 Ų | 82 | 49.2 Ų | 49.2 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 134.1 | 174.2 | -167.5 | -164.2 | -176.1 | -133.3 | 0 | 109.1 | R540 K541 T542 E563 K581 | R540-K561 PolarHBondContact O-N 3.22Å; K541-K561 WeakPolarHBondContact CA-O 2.89Å; T542-K561 PolarHBondContact N-O 3.38Å; K561-E563 IonicContact NZ-OE1 2.78Å; K561-E563 PolarHBondContact NZ-OE1 3.17Å; K561-K581 WeakPolarHBondContact CA-O 3.34Å |
| 562 | S | 60.9 | Low | 58.8 | Low | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 141.8 | 174.4 | 60.4 | 0 | 0 | 0 | 0 | 113 | T542 K581 K582 D583 | T542-S562 VanDerWaalsContact O-CA 3.3Å; T542-S562 WeakPolarHBondContact O-CA 3.16Å; S562-K581 PolarHBondContact N-O 3.46Å; S562-K582 WeakPolarHBondContact OG-CG 3.48Å; S562-D583 PolarHBondContact O-N 3.26Å |
| 563 | E | 57.8 | Low | 58.5 | Low | 83 Ų | 83 | 47.6 Ų | 47.6 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 104.3 | 170.9 | -69.4 | 170.3 | -158.2 | 0 | 0 | 107.8 | T542 T544 K561 | T542-E563 PolarHBondContact O-N 3.11Å; T544-E563 WeakPolarHBondContact CA-O 3.38Å; T544-E563 PolarHBondContact N-O 3.06Å; K561-E563 IonicContact NZ-OE1 2.78Å; K561-E563 PolarHBondContact NZ-OE1 3.17Å |
| 564 | G | 52.1 | Low | 58 | Low | 14 Ų | 14 | 45.5 Ų | 45.5 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | trans | 71.2 | 130.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | T544 V545 D583 G584 | T544-G564 WeakPolarHBondContact CA-O 3.36Å; V545-G564 PolarHBondContact N-O 3.35Å; G564-D583 PolarHBondContact N-O 2.96Å; G564-D583 VanDerWaalsContact N-O 3.11Å; G564-G584 VanDerWaalsContact CA-O 3.3Å; G564-G584 WeakPolarHBondContact CA-O 3.32Å | ||
| 565 | S | 54.9 | Low | 57.9 | Low | 15 Ų | 15 | 44.8 Ų | 44.8 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | trans | -138.3 | 72.3 | 161.7 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | V545 N557 N567 S585 | V545-S565 CarbonylContact O-C 3.26Å; V545-S565 VanDerWaalsContact O-C 3.26Å; V545-S565 WeakPolarHBondContact O-CA 3.37Å; N557-S565 PolarHBondContact ND2-OG 3.09Å; S565-N567 PolarHBondContact O-N 3.16Å; S565-S585 PolarHBondContact N-OG 3.12Å; S565-S585 VanDerWaalsContact N-OG 3.12Å | ||
| 566 | P | 56.9 | Low | 57.6 | Low | 34 Ų | 34 | 47.2 Ų | 47.2 | 22% | 0.221 | 25% | 0.25 | C | C | . | . | trans | -68.1 | 132.7 | -178.8 | 25.2 | -31.3 | 0 | 0 | 0 | 112.2 | V545 A546 N547 P586 | V545-P566 WeakPolarHBondContact O-CD 3.34Å; A546-P566 WeakPolarHBondContact CA-O 2.95Å; A546-P566 HydrophobicContact CB-CG 4.12Å; N547-P566 PolarHBondContact N-O 3.16Å; N547-P566 VanDerWaalsContact N-O 3.09Å; P566-P586 VanDerWaalsContact CA-O 3.25Å; P566-P586 WeakPolarHBondContact CA-O 3.31Å; P566-P586 HydrophobicContact CB-CG 4.38Å | ||
| 567 | N | 55.1 | Low | 57.1 | Low | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.3 | 170.1 | -160.3 | -5.7 | 0 | 0 | 0 | 108.3 | N547 S565 S587 Q588 | N547-N567 WeakPolarHBondContact O-CA 3.22Å; N547-N567 PolarHBondContact O-OD1 3.28Å; S565-N567 PolarHBondContact O-N 3.16Å; N567-S587 WeakPolarHBondContact O-CA 3.01Å; N567-S587 PolarHBondContact O-OG 3.04Å; N567-Q588 PolarHBondContact O-N 3.41Å; N567-Q588 VanDerWaalsContact O-N 3.09Å |
| 568 | Q | 58 | Low | 56.9 | Low | 82 Ų | 82 | 50.6 Ų | 50.6 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.7 | -178.8 | -65.4 | -175.2 | -6.1 | 0 | 0 | 110.2 | N547 Q548 G549 Q588 | N547-Q568 PolarHBondContact O-N 3.06Å; Q548-Q568 WeakPolarHBondContact CA-O 3.38Å; Q548-Q568 HydrophobicContact CG-CB 4.39Å; G549-Q568 PolarHBondContact N-O 3.02Å; Q568-Q588 WeakPolarHBondContact CA-O 3.49Å; Q568-Q588 HydrophobicContact CG-CB 4.4Å |
| 569 | G | 57.5 | Low | 56.5 | Low | 19 Ų | 19 | 46.6 Ų | 46.6 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 179.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G549 Q588 A589 | G549-G569 WeakPolarHBondContact O-CA 3.17Å; G569-Q588 PolarHBondContact N-O 3.48Å; G569-Q588 VanDerWaalsContact N-O 3.09Å; G569-A589 WeakPolarHBondContact O-CA 3.46Å; G569-A589 WeakPolarHBondContact O-CB 3.37Å |
| 570 | K | 57.4 | Low | 56.2 | Low | 133 Ų | 133 | 52.2 Ų | 52.2 | 58% | 0.578 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -34.5 | 175.4 | -63.4 | -170.4 | -175.6 | -179.7 | 0 | 111.4 | T550 K590 K591 | T550-K570 HydrophobicContact CG2-CB 4.24Å; T550-K570 HydrophobicContact CG2-CD 3.77Å; T550-K570 HydrophobicContact CG2-CG 4.02Å; T550-K570 WeakPolarHBondContact O-CB 3.16Å; T550-K570 PolarHBondContact O-N 3.15Å; T550-K570 VanDerWaalsContact O-N 3.11Å; K570-K590 WeakPolarHBondContact O-CB 3.16Å; K570-K590 PolarHBondContact O-N 3.49Å; K570-K591 PolarHBondContact O-N 3.43Å |
| 571 | K | 57.2 | Low | 55.8 | Low | 65 Ų | 65 | 52 Ų | 52 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 128.3 | 176.6 | -168.5 | -172.9 | -178.7 | -156.4 | 0 | 109.3 | T550 K551 Q552 E573 | T550-K571 PolarHBondContact O-N 3.16Å; K551-K571 WeakPolarHBondContact CA-O 3.49Å; Q552-K571 PolarHBondContact N-O 2.92Å; Q552-K571 VanDerWaalsContact N-O 3.11Å; K571-E573 WeakPolarHBondContact CE-OE1 3.28Å; K571-E573 IonicContact NZ-OE1 2.6Å; K571-E573 PolarHBondContact NZ-OE1 3.24Å |
| 572 | A | 57.5 | Low | 55.5 | Low | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q552 A589 K591 V592 D593 | Q552-A572 VanDerWaalsContact O-CA 3.31Å; Q552-A572 WeakPolarHBondContact O-CA 3.36Å; A572-A589 HydrophobicContact CB-CB 4.22Å; A572-K591 PolarHBondContact N-O 3.2Å; A572-K591 VanDerWaalsContact N-O 3.1Å; A572-V592 WeakPolarHBondContact O-CA 3.46Å; A572-D593 PolarHBondContact O-N 3.12Å; A572-D593 VanDerWaalsContact O-N 3.1Å |
| 573 | E | 55 | Low | 55.1 | Low | 67 Ų | 67 | 52.4 Ų | 52.4 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.3 | 173.8 | -57.3 | -168.9 | 165.5 | 0 | 0 | 110.6 | Q552 E553 G554 K571 D593 | Q552-E573 PolarHBondContact O-N 3.43Å; Q552-E573 VanDerWaalsContact O-N 3.15Å; E553-E573 HydrophobicContact CG-CB 4.26Å; G554-E573 PolarHBondContact N-O 3.06Å; K571-E573 WeakPolarHBondContact CE-OE1 3.28Å; K571-E573 IonicContact NZ-OE1 2.6Å; K571-E573 PolarHBondContact NZ-OE1 3.24Å; E573-D593 HydrophobicContact CG-CB 4.07Å |
| 574 | G | 50.7 | Low | 54.7 | Low | 26 Ų | 26 | 49.5 Ų | 49.5 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | trans | 67.3 | 86.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G554 V555 P576 D593 A594 | G554-G574 WeakPolarHBondContact CA-O 3.44Å; V555-G574 PolarHBondContact N-O 3.11Å; V555-G574 VanDerWaalsContact N-O 3.16Å; G574-P576 WeakPolarHBondContact O-CD 3.25Å; G574-D593 PolarHBondContact N-O 3.15Å; G574-A594 WeakPolarHBondContact CA-O 3.06Å; G574-A594 PolarHBondContact N-O 3.1Å | ||
| 575 | A | 53.1 | Low | 54.7 | Low | 22 Ų | 22 | 50.5 Ų | 50.5 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | trans | -115.6 | 71 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112 | V555 N577 | V555-A575 HydrophobicContact CB-CB 4.39Å; V555-A575 CarbonylContact O-C 3.57Å; V555-A575 WeakPolarHBondContact O-CA 3.44Å; A575-N577 WeakPolarHBondContact O-CB 3.44Å; A575-N577 PolarHBondContact O-N 3.14Å; A575-N577 VanDerWaalsContact O-N 3.15Å | ||
| 576 | P | 53.4 | Low | 54.5 | Low | 59 Ų | 59 | 52.2 Ų | 52.2 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | trans | -65.5 | 116.9 | 175.3 | 26.7 | -31.4 | 0 | 0 | 0 | 109.4 | N557 G574 | N557-P576 PolarHBondContact N-O 3.04Å; G574-P576 WeakPolarHBondContact O-CD 3.25Å | ||
| 577 | N | 50.9 | Low | 54.1 | Low | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 97.5 | -165 | -104.4 | -26 | 0 | 0 | 0 | 107.8 | N557 A575 K582 A596 N597 Q598 | N557-N577 VanDerWaalsContact CB-OD1 3.23Å; N557-N577 WeakPolarHBondContact CB-OD1 3.46Å; N557-N577 PolarHBondContact ND2-OD1 3.26Å; A575-N577 WeakPolarHBondContact O-CB 3.44Å; A575-N577 PolarHBondContact O-N 3.14Å; A575-N577 VanDerWaalsContact O-N 3.15Å; N577-K582 PolarHBondContact O-NZ 3.06Å; N577-A596 PolarHBondContact N-O 3.1Å; N577-N597 WeakPolarHBondContact CB-OD1 3.42Å; N577-Q598 PolarHBondContact O-N 3.47Å |
| 578 | Q | 56.2 | Low | 54 | Low | 97 Ų | 97 | 55.4 Ų | 55.4 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.8 | -176.4 | -65.4 | -179.9 | 7.7 | 0 | 0 | 111.1 | N557 V559 | N557-Q578 PolarHBondContact O-N 3.21Å; V559-Q578 PolarHBondContact N-O 2.85Å; V559-Q578 VanDerWaalsContact O-O 3.12Å |
| 579 | G | 55.1 | Low | 53.9 | Low | 17 Ų | 17 | 51.8 Ų | 51.8 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | trans | -174.2 | 166.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | V559 Q598 G599 | V559-G579 WeakPolarHBondContact O-CA 3.3Å; G579-Q598 PolarHBondContact N-O 2.88Å; G579-G599 WeakPolarHBondContact O-CA 3.47Å | ||
| 580 | K | 55.2 | Low | 53.7 | Low | 124 Ų | 124 | 57.1 Ų | 57.1 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -84.6 | -36.5 | -177.1 | -67.1 | -169.5 | 178.4 | -169.5 | 0 | 113.5 | K560 K600 K601 | K560-K580 WeakPolarHBondContact O-CB 3.42Å; K560-K580 PolarHBondContact O-N 3.29Å; K560-K580 VanDerWaalsContact O-N 3.08Å; K580-K600 PolarHBondContact O-N 3.14Å; K580-K601 PolarHBondContact O-N 3.21Å |
| 581 | K | 55.7 | Low | 53.5 | Low | 120 Ų | 120 | 55.9 Ų | 55.9 | 52% | 0.522 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 133.3 | -178.6 | -63.3 | -170.7 | 179.2 | -173.5 | 0 | 110.8 | K560 K561 S562 K601 | K560-K581 PolarHBondContact O-N 3.05Å; K561-K581 WeakPolarHBondContact CA-O 3.34Å; S562-K581 PolarHBondContact N-O 3.46Å; K581-K601 VanDerWaalsContact CA-O 3.31Å; K581-K601 WeakPolarHBondContact CA-O 3.42Å; K581-K601 HydrophobicContact CG-CB 4.4Å |
| 582 | K | 53.9 | Low | 53.4 | Low | 19 Ų | 19 | 53.6 Ų | 53.6 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 141 | 179.1 | -60.9 | -166.3 | 175.3 | 179.2 | 0 | 113.1 | S562 N577 K601 S602 E603 | S562-K582 WeakPolarHBondContact OG-CG 3.48Å; N577-K582 PolarHBondContact O-NZ 3.06Å; K582-K601 PolarHBondContact N-O 3.09Å; K582-S602 WeakPolarHBondContact O-CA 2.9Å; K582-E603 PolarHBondContact O-N 3.49Å |
| 583 | D | 53.9 | Low | 53.3 | Low | 76 Ų | 76 | 56.2 Ų | 56.2 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 118.6 | 171.2 | -53 | -31 | 0 | 0 | 0 | 108.4 | S562 G564 | S562-D583 PolarHBondContact O-N 3.26Å; G564-D583 PolarHBondContact N-O 2.96Å; G564-D583 VanDerWaalsContact N-O 3.11Å |
| 584 | G | 48.1 | Very low | 53.1 | Low | 23 Ų | 23 | 56 Ų | 56 | 24% | 0.237 | 31% | 0.309 | C | S | . | . | trans | 41.9 | 103.9 | 165 | 0 | 0 | 0 | 0 | 0 | 119 | G564 P586 E603 | G564-G584 VanDerWaalsContact CA-O 3.3Å; G564-G584 WeakPolarHBondContact CA-O 3.32Å; G584-P586 VanDerWaalsContact O-CD 3.26Å; G584-P586 WeakPolarHBondContact O-CD 3.38Å; G584-E603 WeakPolarHBondContact CA-O 3.08Å; G584-E603 PolarHBondContact N-O 3.24Å | ||
| 585 | S | 52 | Low | 53.1 | Low | 34 Ų | 34 | 55.7 Ų | 55.7 | 24% | 0.238 | 30% | 0.304 | C | S | . | . | trans | -109.6 | 86.3 | 164.1 | -69.2 | 0 | 0 | 0 | 0 | 111 | S565 S587 | S565-S585 PolarHBondContact N-OG 3.12Å; S565-S585 VanDerWaalsContact N-OG 3.12Å; S585-S587 PolarHBondContact O-N 3.31Å | ||
| 586 | P | 50.8 | Low | 52.9 | Low | 52 Ų | 52 | 56.8 Ų | 56.8 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | trans | -68.9 | 120.7 | 176.5 | 24.2 | -29.1 | 0 | 0 | 0 | 110.4 | P566 G584 A605 | P566-P586 VanDerWaalsContact CA-O 3.25Å; P566-P586 WeakPolarHBondContact CA-O 3.31Å; P566-P586 HydrophobicContact CB-CG 4.38Å; G584-P586 VanDerWaalsContact O-CD 3.26Å; G584-P586 WeakPolarHBondContact O-CD 3.38Å; P586-A605 HydrophobicContact CB-CB 3.95Å; P586-A605 HydrophobicContact CG-CB 4.34Å | ||
| 587 | S | 48.7 | Very low | 52.7 | Low | 23 Ų | 23 | 56.2 Ų | 56.2 | 16% | 0.161 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.8 | 170 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | N567 S585 A607 Q608 | N567-S587 WeakPolarHBondContact O-CA 3.01Å; N567-S587 PolarHBondContact O-OG 3.04Å; S585-S587 PolarHBondContact O-N 3.31Å; S587-A607 WeakPolarHBondContact O-CA 3Å; S587-Q608 PolarHBondContact O-N 3.09Å; S587-Q608 VanDerWaalsContact O-N 3.14Å |
| 588 | Q | 54.3 | Low | 52.8 | Low | 92 Ų | 92 | 59.8 Ų | 59.8 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 101.7 | 173.6 | -70.9 | -176.9 | 1.5 | 0 | 0 | 108.3 | N567 Q568 G569 Q608 | N567-Q588 PolarHBondContact O-N 3.41Å; N567-Q588 VanDerWaalsContact O-N 3.09Å; Q568-Q588 WeakPolarHBondContact CA-O 3.49Å; Q568-Q588 HydrophobicContact CG-CB 4.4Å; G569-Q588 PolarHBondContact N-O 3.48Å; G569-Q588 VanDerWaalsContact N-O 3.09Å; Q588-Q608 HydrophobicContact CG-CB 4.36Å |
| 589 | A | 55.4 | Low | 52.6 | Low | 6 Ų | 6 | 56.1 Ų | 56.1 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 146.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G569 A572 K591 V592 Q608 G609 | G569-A589 WeakPolarHBondContact O-CA 3.46Å; G569-A589 WeakPolarHBondContact O-CB 3.37Å; A572-A589 HydrophobicContact CB-CB 4.22Å; A589-K591 PolarHBondContact O-N 3.45Å; A589-V592 HydrophobicContact CB-CG2 3.82Å; A589-Q608 PolarHBondContact N-O 2.97Å; A589-G609 WeakPolarHBondContact O-CA 3.43Å |
| 590 | K | 53.5 | Low | 52.5 | Low | 131 Ų | 131 | 60.6 Ų | 60.6 | 57% | 0.57 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | -31.9 | 178.6 | -62.5 | -168.5 | 176.5 | -162.2 | 0 | 111.9 | K570 Q610 K611 | K570-K590 WeakPolarHBondContact O-CB 3.16Å; K570-K590 PolarHBondContact O-N 3.49Å; K590-Q610 PolarHBondContact O-N 3.41Å; K590-K611 PolarHBondContact O-N 2.6Å |
| 591 | K | 53.7 | Low | 52.2 | Low | 107 Ų | 107 | 61.6 Ų | 61.6 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 129.5 | 171.9 | -64.7 | -171.9 | 179.3 | -169.9 | 0 | 110 | K570 A572 A589 K611 | K570-K591 PolarHBondContact O-N 3.43Å; A572-K591 PolarHBondContact N-O 3.2Å; A572-K591 VanDerWaalsContact N-O 3.1Å; A589-K591 PolarHBondContact O-N 3.45Å; K591-K611 HydrophobicContact CG-CB 4.47Å |
| 592 | V | 53.4 | Low | 51.9 | Low | 18 Ų | 18 | 59.3 Ų | 59.3 | 11% | 0.109 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.7 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | A572 A589 K611 S613 | A572-V592 WeakPolarHBondContact O-CA 3.46Å; A589-V592 HydrophobicContact CB-CG2 3.82Å; V592-K611 PolarHBondContact N-O 3.44Å; V592-S613 PolarHBondContact O-N 3.04Å; V592-S613 PolarHBondContact O-OG 3.36Å |
| 593 | D | 55.4 | Low | 51.7 | Low | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.9 | 172.7 | -63.2 | -55.3 | 0 | 0 | 0 | 110.1 | A572 E573 G574 S613 | A572-D593 PolarHBondContact O-N 3.12Å; A572-D593 VanDerWaalsContact O-N 3.1Å; E573-D593 HydrophobicContact CG-CB 4.07Å; G574-D593 PolarHBondContact N-O 3.15Å; D593-S613 PolarHBondContact OD1-OG 3.36Å |
| 594 | A | 50.7 | Low | 51.2 | Low | 63 Ų | 63 | 68.4 Ų | 68.4 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | trans | 45.6 | 95.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | G574 | G574-A594 WeakPolarHBondContact CA-O 3.06Å; G574-A594 PolarHBondContact N-O 3.1Å | ||
| 595 | A | 50.8 | Low | 51.2 | Low | 19 Ų | 19 | 68.8 Ų | 68.8 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | trans | -108.7 | 111.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109 | V615 | A595-V615 WeakPolarHBondContact O-CG1 2.85Š| ||
| 596 | A | 50.2 | Low | 50.8 | Low | 44 Ų | 44 | 71.9 Ų | 71.9 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | trans | -91.6 | 108.1 | 169 | 0 | 0 | 0 | 0 | 0 | 108.8 | N577 | N577-A596 PolarHBondContact N-O 3.1Š| ||
| 597 | N | 49 | Very low | 50.7 | Low | 47 Ų | 47 | 72.1 Ų | 72.1 | 25% | 0.251 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.6 | 170.1 | -82.8 | -53.9 | 0 | 0 | 0 | 108.4 | N577 | N577-N597 WeakPolarHBondContact CB-OD1 3.42Å |
| 598 | Q | 52.2 | Low | 50.5 | Low | 84 Ų | 84 | 76.8 Ų | 76.8 | 39% | 0.393 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.3 | 172.4 | -67.8 | -178.2 | 15.6 | 0 | 0 | 109 | N577 G579 Q618 | N577-Q598 PolarHBondContact O-N 3.47Å; G579-Q598 PolarHBondContact N-O 2.88Å; Q598-Q618 HydrophobicContact CG-CB 4.38Å |
| 599 | G | 51.5 | Low | 50.2 | Low | 20 Ų | 20 | 74.1 Ų | 74.1 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | trans | -168.4 | 161.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115 | G579 | G579-G599 WeakPolarHBondContact O-CA 3.47Š| ||
| 600 | K | 53.2 | Low | 50 | Low | 111 Ų | 111 | 82.1 Ų | 82.1 | 48% | 0.483 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -82.7 | -20.4 | -176.5 | -63.8 | -164.4 | 177.3 | -154.4 | 0 | 113.5 | K580 A620 | K580-K600 PolarHBondContact O-N 3.14Å; K600-A620 HydrophobicContact CG-CB 4.26Å |
| 601 | K | 50.4 | Low | 49.7 | Very low | 145 Ų | 145 | 83 Ų | 83 | 63% | 0.63 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 115.4 | 175.5 | -65 | -165.6 | 177.8 | -159.5 | 0 | 108.8 | K580 K581 K582 | K580-K601 PolarHBondContact O-N 3.21Å; K581-K601 VanDerWaalsContact CA-O 3.31Å; K581-K601 WeakPolarHBondContact CA-O 3.42Å; K581-K601 HydrophobicContact CG-CB 4.4Å; K582-K601 PolarHBondContact N-O 3.09Å |
| 602 | S | 49.5 | Very low | 49.2 | Very low | 73 Ų | 73 | 81.1 Ų | 81.1 | 51% | 0.51 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 124 | 177.8 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | K582 | K582-S602 WeakPolarHBondContact O-CA 2.9Å |
| 603 | E | 48.1 | Very low | 48.9 | Very low | 149 Ų | 149 | 82.8 Ų | 82.8 | 70% | 0.696 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.6 | 161.8 | -78.1 | -178.5 | 175.7 | 0 | 0 | 108.3 | K582 G584 | K582-E603 PolarHBondContact O-N 3.49Å; G584-E603 WeakPolarHBondContact CA-O 3.08Å; G584-E603 PolarHBondContact N-O 3.24Å |
| 604 | M | 44.7 | Very low | 48.4 | Very low | 137 Ų | 137 | 88 Ų | 88 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 134.8 | -178.3 | -73.5 | 176 | 60.7 | 0 | 0 | 111 | ||
| 605 | A | 48.1 | Very low | 48.1 | Very low | 30 Ų | 30 | 88.2 Ų | 88.2 | 25% | 0.248 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 143.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P586 A607 | P586-A605 HydrophobicContact CB-CB 3.95Å; P586-A605 HydrophobicContact CG-CB 4.34Å; A605-A607 PolarHBondContact O-N 3.44Å |
| 606 | P | 43.6 | Very low | 47.6 | Very low | 99 Ų | 99 | 94 Ų | 94 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 136.2 | -178.6 | 23.8 | -32.2 | 0 | 0 | 0 | 111.4 | Q608 | P606-Q608 PolarHBondContact O-N 3.11Š|
| 607 | A | 47.4 | Very low | 46.9 | Very low | 58 Ų | 58 | 95.5 Ų | 95.5 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | trans | -77.9 | 113 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | S587 A605 | S587-A607 WeakPolarHBondContact O-CA 3Å; A605-A607 PolarHBondContact O-N 3.44Å | ||
| 608 | Q | 46 | Very low | 46.7 | Very low | 120 Ų | 120 | 99.7 Ų | 99.7 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | B | Isolated β-bridge | trans | -90.2 | 110.4 | 175.2 | -71.6 | 179.8 | -36.5 | 0 | 0 | 108.7 | S587 Q588 A589 P606 | S587-Q608 PolarHBondContact O-N 3.09Å; S587-Q608 VanDerWaalsContact O-N 3.14Å; Q588-Q608 HydrophobicContact CG-CB 4.36Å; A589-Q608 PolarHBondContact N-O 2.97Å; P606-Q608 PolarHBondContact O-N 3.11Å |
| 609 | G | 47.1 | Very low | 46 | Very low | 36 Ų | 36 | 102.2 Ų | 102.2 | 37% | 0.371 | 55% | 0.552 | S | S | . | * | trans | -157.9 | 144.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A589 K611 | A589-G609 WeakPolarHBondContact O-CA 3.43Å; G609-K611 VanDerWaalsContact C-N 3.26Å; G609-K611 PolarHBondContact O-N 3.34Å | ||
| 610 | Q | 51.8 | Low | 45.5 | Very low | 175 Ų | 175 | 103.6 Ų | 103.6 | 82% | 0.818 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -72.4 | -20.5 | -178.5 | -72.5 | -172.3 | -25.7 | 0 | 0 | 112.8 | K590 | K590-Q610 PolarHBondContact O-N 3.41Š|
| 611 | K | 47.3 | Very low | 44.8 | Very low | 148 Ų | 148 | 103.6 Ų | 103.6 | 64% | 0.643 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -142 | 93 | 174.6 | -58.5 | -166.3 | -175.6 | -152.7 | 0 | 109.3 | K590 K591 V592 G609 | K590-K611 PolarHBondContact O-N 2.6Å; K591-K611 HydrophobicContact CG-CB 4.47Å; V592-K611 PolarHBondContact N-O 3.44Å; G609-K611 VanDerWaalsContact C-N 3.26Å; G609-K611 PolarHBondContact O-N 3.34Å |
| 612 | A | 43.4 | Very low | 44.3 | Very low | 68 Ų | 68 | 104.5 Ų | 104.5 | 56% | 0.562 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 613 | S | 46.3 | Very low | 43.7 | Very low | 54 Ų | 54 | 109.8 Ų | 109.8 | 38% | 0.378 | 59% | 0.593 | S | S | . | * | trans | -89.7 | 156.4 | 167.7 | 59 | 0 | 0 | 0 | 0 | 110.7 | V592 D593 V615 | V592-S613 PolarHBondContact O-N 3.04Å; V592-S613 PolarHBondContact O-OG 3.36Å; D593-S613 PolarHBondContact OD1-OG 3.36Å; S613-V615 PolarHBondContact O-N 3.39Å | ||
| 614 | M | 44.2 | Very low | 43.3 | Very low | 169 Ų | 169 | 109.4 Ų | 109.4 | 83% | 0.833 | 60% | 0.596 | S | S | * | * | trans | -41 | 120.4 | -169.4 | -138.2 | 176.6 | -166.4 | 0 | 0 | 114.3 | ||||
| 615 | V | 44.5 | Very low | 42.9 | Very low | 67 Ų | 67 | 107.2 Ų | 107.2 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | trans | -85.5 | 109.1 | 168.3 | 173.9 | 0 | 0 | 0 | 0 | 107.6 | A595 S613 | A595-V615 WeakPolarHBondContact O-CG1 2.85Å; S613-V615 PolarHBondContact O-N 3.39Å | ||
| 616 | Q | 40.6 | Very low | 42.3 | Very low | 141 Ų | 141 | 111.4 Ų | 111.4 | 66% | 0.659 | 62% | 0.624 | S | S | * | * | trans | -83.6 | 113.8 | 172 | -84.9 | -177.3 | -11.2 | 0 | 0 | 110.1 | ||||
| 617 | S | 37 | Very low | 42.2 | Very low | 74 Ų | 74 | 111.8 Ų | 111.8 | 52% | 0.517 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.8 | 169.6 | -71.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 618 | Q | 43.8 | Very low | 41.6 | Very low | 136 Ų | 136 | 117.5 Ų | 117.5 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.8 | 165.2 | -71.4 | -170 | 41.8 | 0 | 0 | 108.5 | Q598 | Q598-Q618 HydrophobicContact CG-CB 4.38Å |
| 619 | E | 38.6 | Very low | 41.1 | Very low | 137 Ų | 137 | 121 Ų | 121 | 64% | 0.64 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 122 | 169.5 | -159.9 | 175.2 | 166 | 0 | 0 | 107.9 | ||
| 620 | A | 40.3 | Very low | 40.8 | Very low | 48 Ų | 48 | 129.5 Ų | 129.5 | 40% | 0.397 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 130 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | K600 K622 | K600-A620 HydrophobicContact CG-CB 4.26Å; A620-K622 PolarHBondContact O-N 3.27Å |
| 621 | P | 38.3 | Very low | 40 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 135.5 | -175.3 | -23.9 | 30.8 | 0 | 0 | 0 | 112 | Q623 | P621-Q623 PolarHBondContact O-N 3.27Š|
| 622 | K | 39 | Very low | 39.7 | Very low | 163 Ų | 163 | 124 Ų | 124 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | trans | -64.6 | 104.1 | 170.7 | -66.2 | 174.2 | -175.6 | 168.4 | 0 | 107 | A620 D624 | A620-K622 PolarHBondContact O-N 3.27Å; K622-D624 PolarHBondContact O-N 3.35Å | ||
| 623 | Q | 38.1 | Very low | 39.3 | Very low | 185 Ų | 185 | 126.2 Ų | 126.2 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | trans | -70.8 | 86 | 164.5 | -77.7 | -174.5 | -41.7 | 0 | 0 | 106.9 | P621 A625 | P621-Q623 PolarHBondContact O-N 3.27Å; Q623-A625 PolarHBondContact O-N 3.42Å | ||
| 624 | D | 39.1 | Very low | 39.3 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | -65.2 | 122.2 | 163.5 | -72 | -38.2 | 0 | 0 | 0 | 107.3 | K622 | K622-D624 PolarHBondContact O-N 3.35Š| ||
| 625 | A | 35.7 | Very low | 39.1 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | -62.9 | 143.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q623 A627 | Q623-A625 PolarHBondContact O-N 3.42Å; A625-A627 PolarHBondContact O-N 3.38Å | ||
| 626 | P | 36.6 | Very low | 38.8 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -81.4 | 108.5 | -163.8 | 31.4 | -33 | 0 | 0 | 0 | 111.5 | K628 | P626-K628 PolarHBondContact O-N 3.45Š| ||
| 627 | A | 40.9 | Very low | 38.9 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 88% | 0.884 | 76% | 0.763 | S | S | * | * | trans | -77.7 | 102.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A625 | A625-A627 PolarHBondContact O-N 3.38Š| ||
| 628 | K | 35.7 | Very low | 38.9 | Very low | 179 Ų | 179 | 141 Ų | 141 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | trans | -57.7 | 141.9 | 178.8 | -79.5 | 179.1 | 176 | 175.2 | 0 | 112.6 | P626 | P626-K628 PolarHBondContact O-N 3.45Š| ||
| 629 | K | 35.4 | Very low | 39.1 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 79.5 | 108.4 | 151.6 | -65.1 | 170.1 | 179.9 | -169.3 | 0 | 117.9 | ||||
| 630 | K | 40.1 | Very low | 39.5 | Very low | 213 Ų | 213 | 140.4 Ų | 140.4 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | -159.5 | 109 | 113.9 | -102.6 | 178.4 | -174 | -175.9 | 0 | 109.8 | |||||
| 631 | S | 35 | Very low | 39.5 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | -73.5 | 132.9 | 169.5 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 632 | G | 41.6 | Very low | 39.6 | Very low | 82 Ų | 82 | 149.6 Ų | 149.6 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | trans | -156.9 | 82 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 633 | S | 34.6 | Very low | 39.6 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 79% | 0.79 | 85% | 0.846 | S | S | * | * | trans | -71.1 | 133.8 | 172.2 | 167.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 634 | R | 45.4 | Very low | 39.7 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 89% | 0.894 | 84% | 0.844 | S | S | * | * | trans | 177 | 105.8 | 141.3 | -96.2 | 161.8 | -171.7 | -156.1 | 3.1 | 107.9 | ||||
| 635 | K | 39.8 | Very low | 39.7 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 82% | 0.817 | 85% | 0.85 | S | S | * | * | 95.6 | 103.7 | 68.9 | -163.6 | 176.7 | -169.6 | -175.2 | 0 | 110.8 | |||||
| 636 | K | 39.7 | Very low | 39.9 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 70% | 0.704 | 86% | 0.856 | S | S | * | * | trans | 42.2 | 106.1 | 147.2 | -70.2 | -170.6 | 165.3 | -140 | 0 | 118.6 | E638 | K636-E638 IonicContact NZ-OE2 2.76Å; K636-E638 PolarHBondContact NZ-OE2 2.76Å | ||
| 637 | G | 41.9 | Very low | 40.2 | Very low | 86 Ų | 86 | 153 Ų | 153 | 89% | 0.887 | 86% | 0.862 | S | S | * | * | trans | -110.2 | 102.6 | 140.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 638 | E | 38 | Very low | 40.1 | Very low | 143 Ų | 143 | 156.3 Ų | 156.3 | 67% | 0.668 | 86% | 0.861 | S | S | * | * | trans | -108.2 | 173.4 | 161.3 | -72.5 | 176.1 | 106.1 | 0 | 0 | 106.7 | K636 | K636-E638 IonicContact NZ-OE2 2.76Å; K636-E638 PolarHBondContact NZ-OE2 2.76Å | ||
| 639 | P | 47.1 | Very low | 40.5 | Very low | 121 Ų | 121 | 154.5 Ų | 154.5 | 79% | 0.786 | 87% | 0.867 | S | S | * | * | -121.7 | 163.1 | -60.1 | 35 | -20.1 | 0 | 0 | 0 | 110.3 | |||||
| 640 | V | 46.3 | Very low | 40.9 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 84% | 0.842 | 87% | 0.869 | S | S | * | * | trans | -128.5 | 112.6 | 171.4 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 641 | C | 41.1 | Very low | 41 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 100% | 1.378 | 86% | 0.864 | S | S | * | * | trans | 57 | 0 | 163.6 | -63.3 | 0 | 0 | 0 | 0 | 120 |
Retrieved 641 of 641 residues in 132.4 ms
(Link to these results)