| 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 | 47.3 | Very low | 51 | Low | 231 Ų | 231 | 136.5 Ų | 136.5 | 100% | 1.138 | 66% | 0.663 | S | S | * | * | 0 | 75.6 | 0 | -70.3 | 176.9 | 171.6 | 0 | 0 | 111.2 | |||||
| 2 | R | 48.9 | Very low | 52 | Low | 230 Ų | 230 | 129.5 Ų | 129.5 | 87% | 0.868 | 63% | 0.634 | S | S | * | * | trans | -116.3 | -3.2 | 174.7 | -90.1 | -174.1 | 173.8 | -178 | -2.1 | 114.1 | ||||
| 3 | Y | 48.2 | Very low | 53.4 | Low | 212 Ų | 212 | 125.7 Ų | 125.7 | 83% | 0.831 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -96.4 | -13.3 | -173.1 | -79 | -81.1 | 0 | 0 | 0 | 115.1 | ||
| 4 | T | 51 | Low | 54.7 | Low | 104 Ų | 104 | 128.3 Ų | 128.3 | 64% | 0.638 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -85.8 | -23.1 | -173.6 | -2.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 5 | L | 45.8 | Very low | 55.3 | Low | 114 Ų | 114 | 123.9 Ų | 123.9 | 60% | 0.597 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -78.8 | -28 | -177 | -117.2 | 97.6 | 0 | 0 | 0 | 113.9 | F7 | L5-F7 VanDerWaalsContact C-N 3.34Å |
| 6 | L | 51.4 | Low | 56 | Low | 126 Ų | 126 | 120.3 Ų | 120.3 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.5 | -28.5 | 178.8 | -91.4 | 124.8 | 0 | 0 | 0 | 112.7 | S10 | L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-N 2.76Å; L6-S10 VanDerWaalsContact O-N 3.14Å |
| 7 | F | 47.1 | Very low | 56.7 | Low | 150 Ų | 150 | 118.9 Ų | 118.9 | 66% | 0.658 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.7 | -40.1 | -177 | -122.1 | -87.6 | 0 | 0 | 0 | 112.6 | L5 S10 I11 | L5-F7 VanDerWaalsContact C-N 3.34Å; F7-S10 WeakPolarHBondContact O-CB 3.41Å; F7-S10 PolarHBondContact O-N 2.88Å; F7-I11 HydrophobicContact CD1-CD1 4.46Å; F7-I11 WeakPolarHBondContact O-CG1 3.48Å; F7-I11 PolarHBondContact O-N 3.23Å; F7-I11 VanDerWaalsContact O-N 3.15Å |
| 8 | C | 47.6 | Very low | 57 | Low | 87 Ų | 87 | 118.9 Ų | 118.9 | 59% | 0.588 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69 | -37.8 | 177.5 | -72.3 | 0 | 0 | 0 | 0 | 112.6 | I11 T12 | C8-I11 PolarHBondContact O-N 3.18Å; C8-T12 PolarHBondContact O-N 3.33Å; C8-T12 PolarHBondContact O-OG1 3.42Å |
| 9 | Q | 49.3 | Very low | 57.1 | Low | 105 Ų | 105 | 118.1 Ų | 118.1 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.8 | -41.7 | 175.6 | -70.9 | -167.3 | -20.3 | 0 | 0 | 111.4 | I11 T12 V13 | Q9-I11 PolarHBondContact O-N 3Å; Q9-T12 PolarHBondContact O-N 3.11Å; Q9-T12 PolarHBondContact O-OG1 2.91Å; Q9-V13 WeakPolarHBondContact O-CG2 3.46Å; Q9-V13 PolarHBondContact O-N 2.82Å |
| 10 | S | 58.9 | Low | 57.3 | Low | 48 Ų | 48 | 116.8 Ų | 116.8 | 34% | 0.336 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -53.5 | -53.2 | 172.6 | 160.2 | 0 | 0 | 0 | 0 | 111.6 | L6 F7 T12 V13 Y14 | L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-N 2.76Å; L6-S10 VanDerWaalsContact O-N 3.14Å; F7-S10 WeakPolarHBondContact O-CB 3.41Å; F7-S10 PolarHBondContact O-N 2.88Å; S10-T12 VanDerWaalsContact C-N 3.32Å; S10-T12 PolarHBondContact O-N 3.11Å; S10-V13 PolarHBondContact O-N 3.39Å; S10-Y14 WeakPolarHBondContact O-CD2 3.25Å; S10-Y14 PolarHBondContact O-N 2.71Å; S10-Y14 WeakPolarHBondContact OG-CD2 3.42Å; S10-Y14 WeakPolarHBondContact OG-CE2 3.32Å |
| 11 | I | 65 | Low | 57.4 | Low | 95 Ų | 95 | 114.2 Ų | 114.2 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.7 | -41 | -177.7 | -65.2 | 164.5 | 0 | 0 | 0 | 111.8 | F7 C8 Q9 S15 | F7-I11 HydrophobicContact CD1-CD1 4.46Å; F7-I11 WeakPolarHBondContact O-CG1 3.48Å; F7-I11 PolarHBondContact O-N 3.23Å; F7-I11 VanDerWaalsContact O-N 3.15Å; C8-I11 PolarHBondContact O-N 3.18Å; Q9-I11 PolarHBondContact O-N 3Å; I11-S15 WeakPolarHBondContact O-CB 3.44Å; I11-S15 PolarHBondContact O-N 2.73Å; I11-S15 PolarHBondContact O-OG 2.83Å |
| 12 | T | 63.6 | Low | 57.6 | Low | 52 Ų | 52 | 111.7 Ų | 111.7 | 32% | 0.319 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 178.6 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | C8 Q9 S10 S15 I16 F388 | C8-T12 PolarHBondContact O-N 3.33Å; C8-T12 PolarHBondContact O-OG1 3.42Å; Q9-T12 PolarHBondContact O-N 3.11Å; Q9-T12 PolarHBondContact O-OG1 2.91Å; S10-T12 VanDerWaalsContact C-N 3.32Å; S10-T12 PolarHBondContact O-N 3.11Å; T12-S15 PolarHBondContact O-N 2.96Å; T12-I16 WeakPolarHBondContact O-CG1 3.44Å; T12-I16 PolarHBondContact O-N 2.88Å; T12-F388 HydrophobicContact CG2-CE2 4.15Å; T12-F388 HydrophobicContact CG2-CZ 4.26Å |
| 13 | V | 69.7 | Low | 57.7 | Low | 80 Ų | 80 | 105.7 Ų | 105.7 | 49% | 0.485 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | Q9 S10 S15 I16 I17 | Q9-V13 WeakPolarHBondContact O-CG2 3.46Å; Q9-V13 PolarHBondContact O-N 2.82Å; S10-V13 PolarHBondContact O-N 3.39Å; V13-S15 VanDerWaalsContact C-N 3.32Å; V13-S15 PolarHBondContact O-N 2.91Å; V13-I16 PolarHBondContact O-N 3.05Å; V13-I17 HydrophobicContact CG1-CD1 3.63Å; V13-I17 HydrophobicContact CG1-CG1 4.33Å; V13-I17 WeakPolarHBondContact O-CB 3.36Å; V13-I17 VanDerWaalsContact O-CG1 3.26Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; V13-I17 PolarHBondContact O-N 3.31Å |
| 14 | Y | 72.1 | Confident | 58 | Low | 162 Ų | 162 | 99.9 Ų | 99.9 | 64% | 0.635 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -38.8 | 175.1 | -79.8 | -68.8 | 0 | 0 | 0 | 112.4 | S10 I17 F18 | S10-Y14 WeakPolarHBondContact O-CD2 3.25Å; S10-Y14 PolarHBondContact O-N 2.71Å; S10-Y14 WeakPolarHBondContact OG-CD2 3.42Å; S10-Y14 WeakPolarHBondContact OG-CE2 3.32Å; Y14-I17 PolarHBondContact O-N 3.39Å; Y14-F18 WeakPolarHBondContact O-CB 3.32Å; Y14-F18 PolarHBondContact O-N 3.38Å |
| 15 | S | 63 | Low | 58.4 | Low | 62 Ų | 62 | 100.7 Ų | 100.7 | 43% | 0.434 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | I11 T12 V13 F18 M19 | I11-S15 WeakPolarHBondContact O-CB 3.44Å; I11-S15 PolarHBondContact O-N 2.73Å; I11-S15 PolarHBondContact O-OG 2.83Å; T12-S15 PolarHBondContact O-N 2.96Å; V13-S15 VanDerWaalsContact C-N 3.32Å; V13-S15 PolarHBondContact O-N 2.91Å; S15-F18 PolarHBondContact O-N 3.03Å; S15-M19 WeakPolarHBondContact O-CB 3.13Å; S15-M19 WeakPolarHBondContact O-CG 3.49Å; S15-M19 PolarHBondContact O-N 3.41Å |
| 16 | I | 67.5 | Low | 59.5 | Low | 67 Ų | 67 | 98.4 Ų | 98.4 | 34% | 0.344 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -46.4 | 176.1 | -68.4 | 166.5 | 0 | 0 | 0 | 110.6 | T12 V13 F18 M19 I20 F388 | T12-I16 WeakPolarHBondContact O-CG1 3.44Å; T12-I16 PolarHBondContact O-N 2.88Å; V13-I16 PolarHBondContact O-N 3.05Å; I16-F18 VanDerWaalsContact C-N 3.32Å; I16-F18 PolarHBondContact O-N 2.68Å; I16-M19 PolarHBondContact O-N 2.87Å; I16-I20 HydrophobicContact CG2-CD1 3.65Å; I16-I20 HydrophobicContact CG2-CG1 4.34Å; I16-I20 WeakPolarHBondContact O-CB 3.43Å; I16-I20 VanDerWaalsContact O-CG1 3.25Å; I16-I20 WeakPolarHBondContact O-CG1 3.44Å; I16-I20 PolarHBondContact O-N 3.47Å; I16-F388 HydrophobicContact CD1-CE2 3.97Å |
| 17 | I | 67.1 | Low | 60.9 | Low | 96 Ų | 96 | 94 Ų | 94 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 177.4 | -68.2 | 169.5 | 0 | 0 | 0 | 110.6 | V13 Y14 I20 S21 | V13-I17 HydrophobicContact CG1-CD1 3.63Å; V13-I17 HydrophobicContact CG1-CG1 4.33Å; V13-I17 WeakPolarHBondContact O-CB 3.36Å; V13-I17 VanDerWaalsContact O-CG1 3.26Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; V13-I17 PolarHBondContact O-N 3.31Å; Y14-I17 PolarHBondContact O-N 3.39Å; I17-I20 PolarHBondContact O-N 2.85Å; I17-S21 WeakPolarHBondContact O-CB 3.32Å; I17-S21 PolarHBondContact O-N 3.42Å; I17-S21 PolarHBondContact O-OG 2.66Å |
| 18 | F | 62.7 | Low | 62.6 | Low | 120 Ų | 120 | 92.1 Ų | 92.1 | 53% | 0.526 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 177.2 | -177.5 | -98.1 | 0 | 0 | 0 | 112.3 | Y14 S15 I16 S21 R22 | Y14-F18 WeakPolarHBondContact O-CB 3.32Å; Y14-F18 PolarHBondContact O-N 3.38Å; S15-F18 PolarHBondContact O-N 3.03Å; I16-F18 VanDerWaalsContact C-N 3.32Å; I16-F18 PolarHBondContact O-N 2.68Å; F18-S21 WeakPolarHBondContact CA-OG 3.32Å; F18-S21 PolarHBondContact O-OG 3.34Å; F18-R22 HydrophobicContact CE1-CG 4.43Å; F18-R22 WeakPolarHBondContact O-CB 3.48Å; F18-R22 PolarHBondContact O-N 2.76Å |
| 19 | M | 59.4 | Low | 64.4 | Low | 103 Ų | 103 | 88 Ų | 88 | 51% | 0.507 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.3 | -49.4 | 173.4 | -73.2 | -76 | -81.3 | 0 | 0 | 110.4 | S15 I16 S21 R22 F23 | S15-M19 WeakPolarHBondContact O-CB 3.13Å; S15-M19 WeakPolarHBondContact O-CG 3.49Å; S15-M19 PolarHBondContact O-N 3.41Å; I16-M19 PolarHBondContact O-N 2.87Å; M19-S21 VanDerWaalsContact C-N 3.34Å; M19-S21 PolarHBondContact O-N 3.24Å; M19-R22 WeakPolarHBondContact O-CB 3.47Å; M19-R22 PolarHBondContact O-N 3.49Å; M19-F23 HydrophobicContact CB-CE2 4.48Å; M19-F23 WeakPolarHBondContact O-CD2 3.31Å; M19-F23 PolarHBondContact O-N 2.64Å; M19-F23 VanDerWaalsContact O-N 3.15Å |
| 20 | I | 60.6 | Low | 66.1 | Low | 92 Ų | 92 | 83.5 Ų | 83.5 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 177 | -66.5 | 168 | 0 | 0 | 0 | 111 | I16 I17 R22 F23 I24 | I16-I20 HydrophobicContact CG2-CD1 3.65Å; I16-I20 HydrophobicContact CG2-CG1 4.34Å; I16-I20 WeakPolarHBondContact O-CB 3.43Å; I16-I20 VanDerWaalsContact O-CG1 3.25Å; I16-I20 WeakPolarHBondContact O-CG1 3.44Å; I16-I20 PolarHBondContact O-N 3.47Å; I17-I20 PolarHBondContact O-N 2.85Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 3.01Å; I20-F23 WeakPolarHBondContact O-CA 3.49Å; I20-F23 WeakPolarHBondContact O-CB 3.46Å; I20-F23 PolarHBondContact O-N 2.81Å; I20-I24 HydrophobicContact CG2-CD1 4.02Å; I20-I24 PolarHBondContact O-N 2.85Å; I20-I24 VanDerWaalsContact O-N 3.11Å |
| 21 | S | 58.3 | Low | 67.4 | Low | 63 Ų | 63 | 88.9 Ų | 88.9 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.3 | -34.1 | 179.3 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | I17 F18 M19 F23 I24 | I17-S21 WeakPolarHBondContact O-CB 3.32Å; I17-S21 PolarHBondContact O-N 3.42Å; I17-S21 PolarHBondContact O-OG 2.66Å; F18-S21 WeakPolarHBondContact CA-OG 3.32Å; F18-S21 PolarHBondContact O-OG 3.34Å; M19-S21 VanDerWaalsContact C-N 3.34Å; M19-S21 PolarHBondContact O-N 3.24Å; S21-F23 PolarHBondContact O-N 3.07Å; S21-I24 CarbonylContact O-C 3.25Å; S21-I24 PolarHBondContact O-N 2.98Å |
| 22 | R | 52.9 | Low | 68.5 | Low | 178 Ų | 178 | 89.7 Ų | 89.7 | 67% | 0.672 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.9 | -30.4 | 169.2 | -103.3 | -170.6 | 157.7 | -170.8 | -5.1 | 112.9 | F18 M19 I20 | F18-R22 HydrophobicContact CE1-CG 4.43Å; F18-R22 WeakPolarHBondContact O-CB 3.48Å; F18-R22 PolarHBondContact O-N 2.76Å; M19-R22 WeakPolarHBondContact O-CB 3.47Å; M19-R22 PolarHBondContact O-N 3.49Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 3.01Å |
| 23 | F | 49.9 | Very low | 69.5 | Low | 103 Ų | 103 | 90.5 Ų | 90.5 | 45% | 0.452 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -77.8 | -27.8 | 176.3 | -71.4 | -65.1 | 0 | 0 | 0 | 112.7 | M19 I20 S21 K25 | M19-F23 HydrophobicContact CB-CE2 4.48Å; M19-F23 WeakPolarHBondContact O-CD2 3.31Å; M19-F23 PolarHBondContact O-N 2.64Å; M19-F23 VanDerWaalsContact O-N 3.15Å; I20-F23 WeakPolarHBondContact O-CA 3.49Å; I20-F23 WeakPolarHBondContact O-CB 3.46Å; I20-F23 PolarHBondContact O-N 2.81Å; S21-F23 PolarHBondContact O-N 3.07Å; F23-K25 PolarHBondContact O-N 3.25Å |
| 24 | I | 54.9 | Low | 70.4 | Confident | 91 Ų | 91 | 92.6 Ų | 92.6 | 47% | 0.467 | 45% | 0.447 | S | S | . | . | trans | -92.3 | 71.4 | 175.8 | -52.1 | 168.2 | 0 | 0 | 0 | 108.8 | I20 S21 C26 | I20-I24 HydrophobicContact CG2-CD1 4.02Å; I20-I24 PolarHBondContact O-N 2.85Å; I20-I24 VanDerWaalsContact O-N 3.11Å; S21-I24 CarbonylContact O-C 3.25Å; S21-I24 PolarHBondContact O-N 2.98Å; I24-C26 HydrophobicContact CG2-CB 4.41Å; I24-C26 PolarHBondContact O-N 2.81Å | ||
| 25 | K | 60.4 | Low | 71.1 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 52% | 0.522 | 42% | 0.424 | S | S | . | . | trans | -71.5 | 83.5 | 163.3 | -82.7 | -165.1 | 179.1 | -169.8 | 0 | 108.1 | F23 H27 D92 | F23-K25 PolarHBondContact O-N 3.25Å; K25-H27 PolarHBondContact O-N 3.08Å; K25-H27 VanDerWaalsContact O-N 3.16Å; K25-D92 IonicContact NZ-OD2 2.75Å; K25-D92 PolarHBondContact NZ-OD2 2.87Å | ||
| 26 | C | 68.6 | Low | 72.3 | Confident | 67 Ų | 67 | 83.5 Ų | 83.5 | 45% | 0.453 | 41% | 0.405 | S | S | . | . | trans | -75.9 | 102.1 | 171.1 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | I24 | I24-C26 HydrophobicContact CG2-CB 4.41Å; I24-C26 PolarHBondContact O-N 2.81Å | ||
| 27 | H | 79.6 | Confident | 73.4 | Confident | 33 Ų | 33 | 86.3 Ų | 86.3 | 15% | 0.153 | 42% | 0.42 | C | S | . | . | trans | -68.2 | 131.4 | 173.9 | -67 | -80.9 | 0 | 0 | 0 | 110.1 | K25 I29 C30 F55 I196 | K25-H27 PolarHBondContact O-N 3.08Å; K25-H27 VanDerWaalsContact O-N 3.16Å; H27-I29 HydrophobicContact CB-CG2 3.91Å; H27-I29 PolarHBondContact O-N 2.81Å; H27-I29 VanDerWaalsContact O-N 3.16Å; H27-C30 WeakPolarHBondContact O-CB 3.49Å; H27-C30 PolarHBondContact O-N 3.27Å; H27-C30 PolarHBondContact O-SG 2.84Å; H27-F55 AromaticContact CE1-CZ 3.77Å; H27-F55 AromaticContact ND1-CE2 3.82Å; H27-F55 AromaticContact ND1-CZ 3.51Å; H27-I196 HydrophobicContact CB-CG2 3.64Å; H27-I196 VanDerWaalsContact CD2-CG2 3.49Å; H27-I196 WeakPolarHBondContact CD2-CG2 3.37Å; H27-I196 VanDerWaalsContact CG-CG2 3.46Å | ||
| 28 | E | 83.3 | Confident | 74.6 | Confident | 110 Ų | 110 | 85.8 Ų | 85.8 | 51% | 0.514 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.5 | -32.4 | -178.8 | -65.4 | -168.8 | 152 | 0 | 0 | 113.3 | C30 K31 K32 L35 Y54 | E28-C30 PolarHBondContact O-N 2.93Å; E28-C30 VanDerWaalsContact O-N 3.17Å; E28-K31 PolarHBondContact O-N 3.23Å; E28-K32 PolarHBondContact O-N 2.91Å; E28-L35 HydrophobicContact CB-CD1 3.78Å; E28-Y54 PolarHBondContact N-OH 2.85Å |
| 29 | I | 85 | Confident | 76 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.9 | -25.3 | 176 | -166.8 | 173.2 | 0 | 0 | 0 | 113.2 | H27 K31 K32 P33 L35 G36 Y54 I196 K205 A207 | H27-I29 HydrophobicContact CB-CG2 3.91Å; H27-I29 PolarHBondContact O-N 2.81Å; H27-I29 VanDerWaalsContact O-N 3.16Å; I29-K31 VanDerWaalsContact C-N 3.32Å; I29-K32 WeakPolarHBondContact CA-O 3.45Å; I29-K32 CarbonylContact O-C 3.6Å; I29-K32 VanDerWaalsContact O-C 3.25Å; I29-K32 PolarHBondContact O-N 2.81Å; I29-P33 WeakPolarHBondContact O-CA 3.37Å; I29-L35 HydrophobicContact CB-CB 4.32Å; I29-L35 HydrophobicContact CG1-CB 4.24Å; I29-G36 VanDerWaalsContact CD1-CA 3.41Å; I29-Y54 HydrophobicContact CB-CD1 4.35Å; I29-Y54 HydrophobicContact CB-CE1 3.61Å; I29-Y54 HydrophobicContact CB-CE2 4.23Å; I29-Y54 HydrophobicContact CD1-CD1 4.03Å; I29-Y54 HydrophobicContact CD1-CE1 4.01Å; I29-Y54 HydrophobicContact CG1-CE1 4.37Å; I29-Y54 HydrophobicContact CG2-CE1 3.64Å; I29-Y54 PolarHBondContact N-OH 2.78Å; I29-Y54 VanDerWaalsContact N-OH 3.14Å; I29-I196 HydrophobicContact CG2-CB 3.98Å; I29-I196 HydrophobicContact CG2-CG1 4.23Å; I29-I196 HydrophobicContact CG2-CG2 3.65Å; I29-K205 HydrophobicContact CD1-CB 3.88Å; I29-K205 HydrophobicContact CG1-CB 3.94Å; I29-K205 HydrophobicContact CG1-CG 4.36Å; I29-K205 HydrophobicContact CG2-CB 4.25Å; I29-A207 HydrophobicContact CD1-CB 4.22Å |
| 30 | C | 86.1 | Confident | 77.5 | Confident | 12 Ų | 12 | 81.8 Ų | 81.8 | 8% | 0.081 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 175.6 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | H27 E28 C198 E202 | H27-C30 WeakPolarHBondContact O-CB 3.49Å; H27-C30 PolarHBondContact O-N 3.27Å; H27-C30 PolarHBondContact O-SG 2.84Å; E28-C30 PolarHBondContact O-N 2.93Å; E28-C30 VanDerWaalsContact O-N 3.17Å; C30-C198 WeakPolarHBondContact CA-SG 3.23Å; C30-C198 HydrophobicContact CB-CB 3.64Å; C30-C198 WeakPolarHBondContact CB-SG 3.34Å; C30-C198 WeakPolarHBondContact SG-CA 3.48Å; C30-C198 WeakPolarHBondContact SG-CB 3.45Å; C30-C198 CovalentContact SG-SG 2.03Å; C30-C198 PolarHBondContact SG-SG 2.04Å; C30-E202 WeakPolarHBondContact CB-OE2 3.48Å |
| 31 | K | 85.9 | Confident | 78.9 | Confident | 160 Ų | 160 | 80.8 Ų | 80.8 | 70% | 0.696 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -83.7 | -28.6 | 176.1 | -64.3 | 179.7 | 178.8 | 173.5 | 0 | 113.2 | E28 I29 | E28-K31 PolarHBondContact O-N 3.23Å; I29-K31 VanDerWaalsContact C-N 3.32Å |
| 32 | K | 86.8 | Confident | 80.2 | Confident | 113 Ų | 113 | 78.5 Ų | 78.5 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | trans | -129.7 | 78.4 | -176 | -68.8 | -175.3 | -178 | 177.7 | 0 | 110.4 | E28 I29 E34 L35 | E28-K32 PolarHBondContact O-N 2.91Å; I29-K32 WeakPolarHBondContact CA-O 3.45Å; I29-K32 CarbonylContact O-C 3.6Å; I29-K32 VanDerWaalsContact O-C 3.25Å; I29-K32 PolarHBondContact O-N 2.81Å; K32-E34 VanDerWaalsContact CA-OE2 3.32Å; K32-E34 WeakPolarHBondContact CA-OE2 3.44Å; K32-E34 WeakPolarHBondContact CB-OE1 3.39Å; K32-E34 PolarHBondContact O-N 3.49Å; K32-E34 VanDerWaalsContact O-N 3.1Å; K32-L35 HydrophobicContact CB-CD1 3.81Å; K32-L35 HydrophobicContact CB-CG 3.91Å; K32-L35 HydrophobicContact CD-CD1 4.4Å; K32-L35 WeakPolarHBondContact O-CB 3.44Å; K32-L35 WeakPolarHBondContact O-CG 3.48Å; K32-L35 PolarHBondContact O-N 2.93Å | ||
| 33 | P | 85.5 | Confident | 81.6 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -58 | -25.2 | -175.7 | -24.5 | 34.8 | 0 | 0 | 0 | 114 | I29 L35 G36 | I29-P33 WeakPolarHBondContact O-CA 3.37Å; P33-L35 PolarHBondContact O-N 3.13Å; P33-L35 VanDerWaalsContact O-N 3.16Å; P33-G36 PolarHBondContact O-N 2.74Å |
| 34 | E | 88 | Confident | 83.5 | Confident | 124 Ų | 124 | 70.7 Ų | 70.7 | 58% | 0.579 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -58.7 | -23.1 | 174.9 | 67.4 | -84 | -165.7 | 0 | 0 | 113.3 | K32 G36 N37 | K32-E34 VanDerWaalsContact CA-OE2 3.32Å; K32-E34 WeakPolarHBondContact CA-OE2 3.44Å; K32-E34 WeakPolarHBondContact CB-OE1 3.39Å; K32-E34 PolarHBondContact O-N 3.49Å; K32-E34 VanDerWaalsContact O-N 3.1Å; E34-G36 PolarHBondContact O-N 2.81Å; E34-N37 PolarHBondContact O-N 3.23Å |
| 35 | L | 88.2 | Confident | 85.2 | Confident | 30 Ų | 30 | 68.8 Ų | 68.8 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -63.8 | -21.1 | 175.1 | -66.9 | 177.2 | 0 | 0 | 0 | 112.7 | E28 I29 K32 P33 N37 Y38 Y54 | E28-L35 HydrophobicContact CB-CD1 3.78Å; I29-L35 HydrophobicContact CB-CB 4.32Å; I29-L35 HydrophobicContact CG1-CB 4.24Å; K32-L35 HydrophobicContact CB-CD1 3.81Å; K32-L35 HydrophobicContact CB-CG 3.91Å; K32-L35 HydrophobicContact CD-CD1 4.4Å; K32-L35 WeakPolarHBondContact O-CB 3.44Å; K32-L35 WeakPolarHBondContact O-CG 3.48Å; K32-L35 PolarHBondContact O-N 2.93Å; P33-L35 PolarHBondContact O-N 3.13Å; P33-L35 VanDerWaalsContact O-N 3.16Å; L35-N37 PolarHBondContact O-N 3.03Å; L35-Y38 HydrophobicContact CD2-CD2 4.38Å; L35-Y38 VanDerWaalsContact O-CB 3.24Å; L35-Y38 WeakPolarHBondContact O-CB 3.34Å; L35-Y38 PolarHBondContact O-N 3.46Å; L35-Y54 HydrophobicContact CB-CD2 3.8Å; L35-Y54 HydrophobicContact CB-CE2 4.07Å; L35-Y54 HydrophobicContact CB-CG 4.39Å; L35-Y54 HydrophobicContact CD1-CD2 4.29Å; L35-Y54 HydrophobicContact CD1-CE2 3.9Å; L35-Y54 VanDerWaalsContact O-CB 3.28Å; L35-Y54 WeakPolarHBondContact O-CB 3.42Å |
| 36 | G | 88.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -59.4 | -30.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I29 P33 E34 M206 A207 E208 | I29-G36 VanDerWaalsContact CD1-CA 3.41Å; P33-G36 PolarHBondContact O-N 2.74Å; E34-G36 PolarHBondContact O-N 2.81Å; G36-M206 WeakPolarHBondContact CA-O 3.39Å; G36-A207 CarbonylContact O-C 3.5Å; G36-A207 WeakPolarHBondContact O-CA 3.47Å; G36-E208 PolarHBondContact O-N 3.31Å |
| 37 | N | 90.4 | Very high | 87.8 | Confident | 125 Ų | 125 | 70.2 Ų | 70.2 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -110.6 | 18 | 176.1 | -60.6 | -47.7 | 0 | 0 | 0 | 111.9 | E34 L35 A39 | E34-N37 PolarHBondContact O-N 3.23Å; L35-N37 PolarHBondContact O-N 3.03Å; N37-A39 PolarHBondContact O-N 2.78Å |
| 38 | Y | 90.9 | Very high | 88.2 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 33% | 0.333 | 36% | 0.356 | S | S | . | . | trans | -60.2 | 124.2 | 177.8 | 177 | -94.8 | 0 | 0 | 0 | 109.5 | L35 K40 H52 Y53 | L35-Y38 HydrophobicContact CD2-CD2 4.38Å; L35-Y38 VanDerWaalsContact O-CB 3.24Å; L35-Y38 WeakPolarHBondContact O-CB 3.34Å; L35-Y38 PolarHBondContact O-N 3.46Å; Y38-K40 HydrophobicContact CE1-CB 4.27Å; Y38-H52 HydrophobicContact CE1-CB 4.07Å; Y38-Y53 VanDerWaalsContact O-CA 3.3Å; Y38-Y53 WeakPolarHBondContact O-CA 3.45Å; Y38-Y53 VanDerWaalsContact O-CD1 3.28Å; Y38-Y53 WeakPolarHBondContact O-CD1 3.39Å | ||
| 39 | A | 92.8 | Very high | 88.7 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 127.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | N37 H52 Y53 | N37-A39 PolarHBondContact O-N 2.78Å; A39-H52 CarbonylContact C-O 3.55Å; A39-H52 VanDerWaalsContact CA-O 3.28Å; A39-H52 WeakPolarHBondContact CA-O 3.48Å; A39-Y53 HydrophobicContact CB-CD1 3.93Å; A39-Y53 HydrophobicContact CB-CE1 3.55Å |
| 40 | K | 90.1 | Very high | 89 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 117.5 | 173.5 | -179.5 | 164 | 167.3 | -170.9 | 0 | 109.1 | Y38 L42 S51 H52 A251 M253 | Y38-K40 HydrophobicContact CE1-CB 4.27Å; K40-L42 WeakPolarHBondContact O-CD1 3.39Å; K40-S51 CarbonylContact O-C 3.6Å; K40-S51 VanDerWaalsContact O-CA 3.23Å; K40-S51 WeakPolarHBondContact O-CA 3.23Å; K40-H52 PolarHBondContact N-O 2.89Å; K40-H52 PolarHBondContact O-N 3.43Å; K40-A251 PolarHBondContact NZ-O 3.06Å; K40-M253 HydrophobicContact CD-CE 3.39Å; K40-M253 HydrophobicContact CG-CE 4.08Å; K40-M253 VanDerWaalsContact NZ-CE 3.25Å |
| 41 | V | 90.3 | Very high | 89.2 | Confident | 71 Ų | 71 | 64 Ų | 64 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.4 | 170.5 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | E44 E49 | V41-E44 HydrophobicContact CG1-CB 4.04Å; V41-E49 HydrophobicContact CG1-CG 3.88Å; V41-E49 HydrophobicContact CG2-CG 4.49Å |
| 42 | L | 85.8 | Confident | 89.5 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -38.1 | 179.5 | -68.1 | 83.2 | 0 | 0 | 0 | 111 | K40 Y50 H52 A251 M253 | K40-L42 WeakPolarHBondContact O-CD1 3.39Å; L42-Y50 HydrophobicContact CB-CD1 4.05Å; L42-Y50 HydrophobicContact CD1-CD1 3.9Å; L42-Y50 HydrophobicContact CD1-CE1 4.06Å; L42-Y50 HydrophobicContact CD2-CD1 4.02Å; L42-Y50 HydrophobicContact CD2-CE1 3.89Å; L42-Y50 HydrophobicContact CG-CD1 4.23Å; L42-Y50 HydrophobicContact CG-CE1 4.47Å; L42-Y50 PolarHBondContact N-O 2.99Å; L42-H52 HydrophobicContact CD1-CB 4Å; L42-H52 WeakPolarHBondContact CD1-CD2 3.47Å; L42-A251 HydrophobicContact CB-CB 4.27Å; L42-A251 HydrophobicContact CD2-CB 3.7Å; L42-A251 HydrophobicContact CG-CB 3.86Å; L42-M253 HydrophobicContact CD1-CE 4.5Å; L42-M253 HydrophobicContact CD1-SD 4.23Å; L42-M253 HydrophobicContact CD2-CE 4.31Å; L42-M253 HydrophobicContact CD2-CG 4.2Å; L42-M253 HydrophobicContact CD2-SD 3.47Å; L42-M253 WeakPolarHBondContact CD2-SD 3.46Å; L42-M253 HydrophobicContact CG-CE 4.2Å; L42-M253 HydrophobicContact CG-SD 3.96Å |
| 43 | F | 83.8 | Confident | 89.8 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 142.2 | 177.9 | 169.9 | -88.8 | 0 | 0 | 0 | 109.9 | N45 Y48 E49 Y50 N268 | F43-N45 HydrophobicContact CE1-CB 4.07Å; F43-N45 HydrophobicContact CZ-CB 3.67Å; F43-N45 WeakPolarHBondContact CZ-ND2 3.39Å; F43-Y48 AromaticContact CD1-CD1 3.27Å; F43-Y48 HydrophobicContact CD1-CD1 3.27Å; F43-Y48 AromaticContact CD1-CE1 3.35Å; F43-Y48 HydrophobicContact CD1-CE1 3.35Å; F43-Y48 HydrophobicContact CD1-CG 4.42Å; F43-Y48 AromaticContact CE1-CD1 3.3Å; F43-Y48 HydrophobicContact CE1-CD1 3.3Å; F43-Y48 AromaticContact CE1-CE1 3.8Å; F43-Y48 HydrophobicContact CE1-CE1 3.8Å; F43-Y48 HydrophobicContact CE1-CG 4.08Å; F43-Y48 HydrophobicContact CG-CE1 4.46Å; F43-E49 WeakPolarHBondContact O-CA 3.34Å; F43-Y50 PolarHBondContact N-O 2.83Å; F43-Y50 PolarHBondContact O-N 2.86Å; F43-N268 HydrophobicContact CD1-CB 4.23Å; F43-N268 HydrophobicContact CD2-CB 4.1Å; F43-N268 WeakPolarHBondContact CD2-O 3.09Å; F43-N268 HydrophobicContact CE1-CB 3.8Å; F43-N268 HydrophobicContact CE2-CB 3.67Å; F43-N268 WeakPolarHBondContact CE2-O 3.46Å; F43-N268 HydrophobicContact CG-CB 4.36Å; F43-N268 HydrophobicContact CZ-CB 3.5Å; F43-N268 VanDerWaalsContact CZ-CB 3.5Å |
| 44 | E | 89.7 | Confident | 90 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 139.1 | 175.3 | -173.5 | -177.8 | 147.4 | 0 | 0 | 108.5 | V41 Y48 E49 K214 W215 | V41-E44 HydrophobicContact CG1-CB 4.04Å; E44-Y48 WeakPolarHBondContact CA-O 3.32Å; E44-E49 HydrophobicContact CB-CG 4.44Å; E44-E49 HydrophobicContact CG-CG 4.4Å; E44-K214 IonicContact OE1-NZ 2.65Å; E44-K214 PolarHBondContact OE1-NZ 3.33Å; E44-K214 IonicContact OE2-NZ 3.34Å; E44-K214 PolarHBondContact OE2-NZ 2.85Å; E44-W215 HydrophobicContact CG-CH2 4.44Å; E44-W215 HydrophobicContact CG-CZ2 3.95Å |
| 45 | N | 89.5 | Confident | 90.1 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | trans | -137.5 | -167.7 | 163.2 | 70.6 | 16.7 | 0 | 0 | 0 | 109.2 | F43 S47 Y48 W215 | F43-N45 HydrophobicContact CE1-CB 4.07Å; F43-N45 HydrophobicContact CZ-CB 3.67Å; F43-N45 WeakPolarHBondContact CZ-ND2 3.39Å; N45-S47 PolarHBondContact O-N 3.28Å; N45-S47 PolarHBondContact OD1-N 2.8Å; N45-S47 PolarHBondContact OD1-OG 2.88Å; N45-Y48 PolarHBondContact N-O 2.82Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.38Å; N45-Y48 VanDerWaalsContact OD1-CB 3.28Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.47Å; N45-Y48 PolarHBondContact OD1-N 3.19Å; N45-Y48 PolarHBondContact OD1-O 3.19Å; N45-W215 WeakPolarHBondContact O-CH2 3.31Å | ||
| 46 | D | 91.3 | Very high | 90.3 | Very high | 160 Ų | 160 | 44.9 Ų | 44.9 | 86% | 0.856 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -68.4 | -17.9 | -177 | -60.1 | -23.8 | 0 | 0 | 0 | 114.8 | L62 | D46-L62 WeakPolarHBondContact O-CD1 3.49Š|
| 47 | S | 92.5 | Very high | 90.5 | Very high | 58 Ų | 58 | 44.9 Ų | 44.9 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -123.9 | -1.9 | -173.7 | 63.9 | 0 | 0 | 0 | 0 | 115.1 | N45 L62 | N45-S47 PolarHBondContact O-N 3.28Å; N45-S47 PolarHBondContact OD1-N 2.8Å; N45-S47 PolarHBondContact OD1-OG 2.88Å; S47-L62 PolarHBondContact O-N 3.15Å |
| 48 | Y | 89.1 | Confident | 90.7 | Very high | 12 Ų | 12 | 39 Ų | 39 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 142.9 | -168.1 | 175.3 | -70.8 | 0 | 0 | 0 | 111.6 | F43 E44 N45 L59 I60 R61 E264 | F43-Y48 AromaticContact CD1-CD1 3.27Å; F43-Y48 HydrophobicContact CD1-CD1 3.27Å; F43-Y48 AromaticContact CD1-CE1 3.35Å; F43-Y48 HydrophobicContact CD1-CE1 3.35Å; F43-Y48 HydrophobicContact CD1-CG 4.42Å; F43-Y48 AromaticContact CE1-CD1 3.3Å; F43-Y48 HydrophobicContact CE1-CD1 3.3Å; F43-Y48 AromaticContact CE1-CE1 3.8Å; F43-Y48 HydrophobicContact CE1-CE1 3.8Å; F43-Y48 HydrophobicContact CE1-CG 4.08Å; F43-Y48 HydrophobicContact CG-CE1 4.46Å; E44-Y48 WeakPolarHBondContact CA-O 3.32Å; N45-Y48 PolarHBondContact N-O 2.82Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.38Å; N45-Y48 VanDerWaalsContact OD1-CB 3.28Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.47Å; N45-Y48 PolarHBondContact OD1-N 3.19Å; N45-Y48 PolarHBondContact OD1-O 3.19Å; Y48-L59 HydrophobicContact CD2-CD1 3.71Å; Y48-L59 HydrophobicContact CE1-CD1 4.1Å; Y48-L59 HydrophobicContact CE2-CD1 3Å; Y48-L59 HydrophobicContact CE2-CG 4.39Å; Y48-L59 WeakPolarHBondContact OH-CD1 3.37Å; Y48-I60 VanDerWaalsContact CA-O 3.23Å; Y48-I60 WeakPolarHBondContact CA-O 3.46Å; Y48-R61 HydrophobicContact CD2-CG 3.78Å; Y48-R61 HydrophobicContact CE2-CG 4.25Å; Y48-E264 HydrophobicContact CE2-CB 4.11Å; Y48-E264 HydrophobicContact CE2-CG 4.26Å; Y48-E264 VanDerWaalsContact CE2-OE2 3.31Å; Y48-E264 WeakPolarHBondContact CE2-OE2 3.13Å |
| 49 | E | 92.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138.4 | 165.9 | -167.5 | -176.9 | 102.8 | 0 | 0 | 110.6 | V41 F43 E44 I60 K214 W215 | V41-E49 HydrophobicContact CG1-CG 3.88Å; V41-E49 HydrophobicContact CG2-CG 4.49Å; F43-E49 WeakPolarHBondContact O-CA 3.34Å; E44-E49 HydrophobicContact CB-CG 4.44Å; E44-E49 HydrophobicContact CG-CG 4.4Å; E49-I60 HydrophobicContact CB-CB 4.16Å; E49-I60 HydrophobicContact CB-CD1 4.38Å; E49-I60 PolarHBondContact N-O 3.08Å; E49-I60 PolarHBondContact O-N 3Å; E49-K214 IonicContact OE2-NZ 3.54Å; E49-W215 HydrophobicContact CB-CH2 4.32Å; E49-W215 HydrophobicContact CB-CZ2 3.62Å; E49-W215 HydrophobicContact CG-CZ2 4.37Å; E49-W215 PolarHBondContact OE2-NE1 2.81Å |
| 50 | Y | 91.2 | Very high | 91 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.6 | 165.7 | -175.4 | -106.5 | 0 | 0 | 0 | 110.4 | L42 F43 H52 S57 Q58 L59 T255 F265 | L42-Y50 HydrophobicContact CB-CD1 4.05Å; L42-Y50 HydrophobicContact CD1-CD1 3.9Å; L42-Y50 HydrophobicContact CD1-CE1 4.06Å; L42-Y50 HydrophobicContact CD2-CD1 4.02Å; L42-Y50 HydrophobicContact CD2-CE1 3.89Å; L42-Y50 HydrophobicContact CG-CD1 4.23Å; L42-Y50 HydrophobicContact CG-CE1 4.47Å; L42-Y50 PolarHBondContact N-O 2.99Å; F43-Y50 PolarHBondContact N-O 2.83Å; F43-Y50 PolarHBondContact O-N 2.86Å; Y50-H52 AromaticContact CE1-CD2 3.58Å; Y50-H52 AromaticContact CE1-NE2 3.32Å; Y50-H52 VanDerWaalsContact CE1-NE2 3.32Å; Y50-H52 WeakPolarHBondContact CE1-NE2 3.14Å; Y50-H52 AromaticContact CZ-CD2 3.81Å; Y50-H52 AromaticContact CZ-NE2 3.56Å; Y50-H52 PolarHBondContact OH-NE2 2.93Å; Y50-S57 WeakPolarHBondContact OH-CB 3.2Å; Y50-Q58 WeakPolarHBondContact CA-O 3.44Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.38Å; Y50-L59 HydrophobicContact CD2-CB 4.18Å; Y50-T255 PolarHBondContact OH-OG1 2.86Å; Y50-F265 AromaticContact CD1-CE1 3.6Å; Y50-F265 HydrophobicContact CD1-CE1 3.6Å; Y50-F265 HydrophobicContact CD1-CZ 4.09Å; Y50-F265 HydrophobicContact CD2-CE1 4.22Å; Y50-F265 AromaticContact CD2-CZ 3.95Å; Y50-F265 HydrophobicContact CD2-CZ 3.95Å; Y50-F265 AromaticContact CE1-CE1 3.38Å; Y50-F265 HydrophobicContact CE1-CE1 3.38Å; Y50-F265 AromaticContact CE1-CZ 3.66Å; Y50-F265 HydrophobicContact CE1-CZ 3.66Å; Y50-F265 HydrophobicContact CE2-CE1 4.05Å; Y50-F265 AromaticContact CE2-CZ 3.51Å; Y50-F265 HydrophobicContact CE2-CZ 3.51Å; Y50-F265 HydrophobicContact CG-CE1 4Å; Y50-F265 HydrophobicContact CG-CZ 4.22Å; Y50-F265 AromaticContact CZ-CE1 3.62Å; Y50-F265 AromaticContact CZ-CZ 3.33Å |
| 51 | S | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.8 | -176.3 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | K40 Y53 S57 Q58 | K40-S51 CarbonylContact O-C 3.6Å; K40-S51 VanDerWaalsContact O-CA 3.23Å; K40-S51 WeakPolarHBondContact O-CA 3.23Å; S51-Y53 WeakPolarHBondContact OG-CE2 3.37Å; S51-S57 CarbonylContact O-C 3.59Å; S51-S57 WeakPolarHBondContact O-CA 2.97Å; S51-Q58 PolarHBondContact N-O 2.81Å; S51-Q58 PolarHBondContact O-N 3.01Å; S51-Q58 PolarHBondContact OG-OE1 2.72Å |
| 52 | H | 91.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.1 | 174.5 | -79.4 | -163.6 | 0 | 0 | 0 | 110 | Y38 A39 K40 L42 Y50 L227 M253 T255 | Y38-H52 HydrophobicContact CE1-CB 4.07Å; A39-H52 CarbonylContact C-O 3.55Å; A39-H52 VanDerWaalsContact CA-O 3.28Å; A39-H52 WeakPolarHBondContact CA-O 3.48Å; K40-H52 PolarHBondContact N-O 2.89Å; K40-H52 PolarHBondContact O-N 3.43Å; L42-H52 HydrophobicContact CD1-CB 4Å; L42-H52 WeakPolarHBondContact CD1-CD2 3.47Å; Y50-H52 AromaticContact CE1-CD2 3.58Å; Y50-H52 AromaticContact CE1-NE2 3.32Å; Y50-H52 VanDerWaalsContact CE1-NE2 3.32Å; Y50-H52 WeakPolarHBondContact CE1-NE2 3.14Å; Y50-H52 AromaticContact CZ-CD2 3.81Å; Y50-H52 AromaticContact CZ-NE2 3.56Å; Y50-H52 PolarHBondContact OH-NE2 2.93Å; H52-L227 HydrophobicContact CB-CD1 4.41Å; H52-M253 PolarHBondContact CE1-SD 2.83Å; H52-M253 PolarHBondContact ND1-SD 3.21Å; H52-T255 PolarHBondContact CE1-OG1 2.91Å; H52-T255 PolarHBondContact NE2-OG1 2.03Å |
| 53 | Y | 93.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 33 Ų | 33 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 173.9 | 170.2 | -66.6 | -92.7 | 0 | 0 | 0 | 109.8 | Y38 A39 S51 F55 Y56 Q58 E208 T209 K210 L227 | Y38-Y53 VanDerWaalsContact O-CA 3.3Å; Y38-Y53 WeakPolarHBondContact O-CA 3.45Å; Y38-Y53 VanDerWaalsContact O-CD1 3.28Å; Y38-Y53 WeakPolarHBondContact O-CD1 3.39Å; A39-Y53 HydrophobicContact CB-CD1 3.93Å; A39-Y53 HydrophobicContact CB-CE1 3.55Å; S51-Y53 WeakPolarHBondContact OG-CE2 3.37Å; Y53-F55 PolarHBondContact O-N 2.79Å; Y53-Y56 WeakPolarHBondContact CA-O 3.26Å; Y53-Y56 PolarHBondContact N-O 2.77Å; Y53-Y56 PolarHBondContact O-N 2.79Å; Y53-Q58 HydrophobicContact CD2-CB 4.1Å; Y53-Q58 HydrophobicContact CE2-CB 3.89Å; Y53-Q58 PolarHBondContact OH-OE1 3.07Å; Y53-E208 WeakPolarHBondContact CD1-O 3.26Å; Y53-T209 HydrophobicContact CD1-CG2 4.16Å; Y53-T209 HydrophobicContact CD2-CG2 4.17Å; Y53-T209 HydrophobicContact CG-CG2 3.76Å; Y53-K210 PolarHBondContact OH-O 3.08Å; Y53-L227 WeakPolarHBondContact O-CD1 3.24Å |
| 54 | Y | 89.2 | Confident | 92.6 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -62 | 123.4 | 169.7 | -165.7 | -111.6 | 0 | 0 | 0 | 110 | E28 I29 L35 Y56 I196 A207 | E28-Y54 PolarHBondContact N-OH 2.85Å; I29-Y54 HydrophobicContact CB-CD1 4.35Å; I29-Y54 HydrophobicContact CB-CE1 3.61Å; I29-Y54 HydrophobicContact CB-CE2 4.23Å; I29-Y54 HydrophobicContact CD1-CD1 4.03Å; I29-Y54 HydrophobicContact CD1-CE1 4.01Å; I29-Y54 HydrophobicContact CG1-CE1 4.37Å; I29-Y54 HydrophobicContact CG2-CE1 3.64Å; I29-Y54 PolarHBondContact N-OH 2.78Å; I29-Y54 VanDerWaalsContact N-OH 3.14Å; L35-Y54 HydrophobicContact CB-CD2 3.8Å; L35-Y54 HydrophobicContact CB-CE2 4.07Å; L35-Y54 HydrophobicContact CB-CG 4.39Å; L35-Y54 HydrophobicContact CD1-CD2 4.29Å; L35-Y54 HydrophobicContact CD1-CE2 3.9Å; L35-Y54 VanDerWaalsContact O-CB 3.28Å; L35-Y54 WeakPolarHBondContact O-CB 3.42Å; Y54-Y56 PolarHBondContact O-N 3.08Å; Y54-Y56 VanDerWaalsContact O-N 3.15Å; Y54-I196 HydrophobicContact CE1-CG1 4.45Å; Y54-A207 HydrophobicContact CD1-CB 3.75Å; Y54-A207 HydrophobicContact CG-CB 4.5Å |
| 55 | F | 89.8 | Confident | 92.9 | Very high | 38 Ų | 38 | 35 Ų | 35 | 17% | 0.167 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 69.3 | -29.7 | -170.7 | -81.5 | -88.9 | 0 | 0 | 0 | 118.4 | H27 Y53 Y91 D92 I196 L226 L227 | H27-F55 AromaticContact CE1-CZ 3.77Å; H27-F55 AromaticContact ND1-CE2 3.82Å; H27-F55 AromaticContact ND1-CZ 3.51Å; Y53-F55 PolarHBondContact O-N 2.79Å; F55-Y91 HydrophobicContact CB-CD1 3.7Å; F55-Y91 HydrophobicContact CB-CE1 4.13Å; F55-Y91 AromaticContact CD2-CD1 3.86Å; F55-Y91 HydrophobicContact CD2-CD1 3.86Å; F55-Y91 AromaticContact CG-CD1 3.92Å; F55-Y91 HydrophobicContact CG-CD1 3.92Å; F55-D92 HydrophobicContact CD1-CB 3.87Å; F55-D92 HydrophobicContact CE1-CB 3.4Å; F55-D92 HydrophobicContact CZ-CB 4.37Å; F55-I196 HydrophobicContact CE2-CD1 4.45Å; F55-L226 CarbonylContact O-C 3.48Å; F55-L226 WeakPolarHBondContact O-CA 3.28Å; F55-L227 PolarHBondContact O-N 3.04Å |
| 56 | Y | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140 | -171.8 | -70.8 | -82.9 | 0 | 0 | 0 | 113.2 | Y53 Y54 Y90 Y91 L192 T209 E225 L226 | Y53-Y56 WeakPolarHBondContact CA-O 3.26Å; Y53-Y56 PolarHBondContact N-O 2.77Å; Y53-Y56 PolarHBondContact O-N 2.79Å; Y54-Y56 PolarHBondContact O-N 3.08Å; Y54-Y56 VanDerWaalsContact O-N 3.15Å; Y56-Y90 WeakPolarHBondContact OH-CA 3.08Å; Y56-Y91 HydrophobicContact CD2-CD1 4.34Å; Y56-Y91 AromaticContact CD2-CE1 3.96Å; Y56-Y91 HydrophobicContact CD2-CE1 3.96Å; Y56-Y91 HydrophobicContact CD2-CE2 4.3Å; Y56-Y91 AromaticContact CD2-CZ 3.96Å; Y56-Y91 AromaticContact CE2-CD1 3.92Å; Y56-Y91 HydrophobicContact CE2-CD1 3.92Å; Y56-Y91 AromaticContact CE2-CD2 3.64Å; Y56-Y91 HydrophobicContact CE2-CD2 3.64Å; Y56-Y91 AromaticContact CE2-CE1 3.84Å; Y56-Y91 HydrophobicContact CE2-CE1 3.84Å; Y56-Y91 AromaticContact CE2-CE2 3.57Å; Y56-Y91 HydrophobicContact CE2-CE2 3.57Å; Y56-Y91 AromaticContact CE2-CG 3.82Å; Y56-Y91 HydrophobicContact CE2-CG 3.82Å; Y56-Y91 AromaticContact CE2-CZ 3.68Å; Y56-Y91 PolarHBondContact OH-N 2.86Å; Y56-L192 HydrophobicContact CD1-CD1 4.27Å; Y56-L192 HydrophobicContact CD2-CD1 4.08Å; Y56-L192 HydrophobicContact CE1-CD1 4.16Å; Y56-L192 HydrophobicContact CE2-CD1 3.95Å; Y56-L192 HydrophobicContact CG-CD1 4.21Å; Y56-T209 HydrophobicContact CD2-CG2 4.42Å; Y56-E225 CarbonylContact C-O 3.52Å; Y56-E225 VanDerWaalsContact CA-O 3.27Å; Y56-E225 WeakPolarHBondContact CA-O 3.34Å; Y56-L226 HydrophobicContact CD1-CD2 4.06Å; Y56-L226 HydrophobicContact CE1-CD2 3.53Å; Y56-L226 HydrophobicContact CE1-CG 4.01Å; Y56-L226 HydrophobicContact CE2-CD2 4.26Å |
| 57 | S | 92.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 151.9 | 151.5 | 52.5 | 0 | 0 | 0 | 0 | 109 | Y50 S51 Y224 E225 | Y50-S57 WeakPolarHBondContact OH-CB 3.2Å; S51-S57 CarbonylContact O-C 3.59Å; S51-S57 WeakPolarHBondContact O-CA 2.97Å; S57-Y224 VanDerWaalsContact O-CA 3.26Å; S57-Y224 WeakPolarHBondContact O-CA 3.43Å; S57-E225 PolarHBondContact N-O 2.77Å; S57-E225 PolarHBondContact O-N 2.91Å; S57-E225 PolarHBondContact OG-O 2.83Å |
| 58 | Q | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.5 | 172.4 | 177.2 | -172.6 | 64.1 | 0 | 0 | 108.2 | Y50 S51 Y53 I60 K210 V222 E223 Y224 | Y50-Q58 WeakPolarHBondContact CA-O 3.44Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.38Å; S51-Q58 PolarHBondContact N-O 2.81Å; S51-Q58 PolarHBondContact O-N 3.01Å; S51-Q58 PolarHBondContact OG-OE1 2.72Å; Y53-Q58 HydrophobicContact CD2-CB 4.1Å; Y53-Q58 HydrophobicContact CE2-CB 3.89Å; Y53-Q58 PolarHBondContact OH-OE1 3.07Å; Q58-I60 HydrophobicContact CG-CD1 4.37Å; Q58-I60 HydrophobicContact CG-CG1 3.98Å; Q58-K210 PolarHBondContact NE2-O 2.9Å; Q58-K210 VanDerWaalsContact NE2-O 3.08Å; Q58-K210 PolarHBondContact OE1-O 3.23Å; Q58-V222 HydrophobicContact CG-CG1 3.92Å; Q58-E223 CarbonylContact C-O 3.54Å; Q58-E223 VanDerWaalsContact CA-O 3.31Å; Q58-E223 WeakPolarHBondContact CA-O 3.26Å; Q58-Y224 HydrophobicContact CB-CD1 3.97Å; Q58-Y224 HydrophobicContact CB-CE1 3.87Å; Q58-Y224 HydrophobicContact CG-CD1 4.2Å; Q58-Y224 HydrophobicContact CG-CE1 3.76Å; Q58-Y224 PolarHBondContact NE2-OH 2.87Å |
| 59 | L | 94.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.1 | 172.9 | 166.8 | 57.5 | 0 | 0 | 0 | 108.7 | Y48 Y50 R61 V222 E223 N261 | Y48-L59 HydrophobicContact CD2-CD1 3.71Å; Y48-L59 HydrophobicContact CE1-CD1 4.1Å; Y48-L59 HydrophobicContact CE2-CD1 3Å; Y48-L59 HydrophobicContact CE2-CG 4.39Å; Y48-L59 WeakPolarHBondContact OH-CD1 3.37Å; Y50-L59 HydrophobicContact CD2-CB 4.18Å; L59-R61 HydrophobicContact CD1-CG 3.84Å; L59-R61 HydrophobicContact CG-CG 4.15Å; L59-V222 CarbonylContact O-C 3.58Å; L59-V222 WeakPolarHBondContact O-CA 3.42Å; L59-E223 HydrophobicContact CB-CB 4.31Å; L59-E223 PolarHBondContact N-O 3.45Å; L59-E223 PolarHBondContact O-N 2.94Å; L59-N261 VanDerWaalsContact CD2-CG 3.46Å; L59-N261 WeakPolarHBondContact CD2-ND2 2.98Å; L59-N261 VanDerWaalsContact CD2-OD1 3.25Å; L59-N261 WeakPolarHBondContact CD2-OD1 3.42Å |
| 60 | I | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.4 | 176.2 | -56.5 | -179 | 0 | 0 | 0 | 108.5 | Y48 E49 Q58 V211 W215 T220 L221 V222 | Y48-I60 VanDerWaalsContact CA-O 3.23Å; Y48-I60 WeakPolarHBondContact CA-O 3.46Å; E49-I60 HydrophobicContact CB-CB 4.16Å; E49-I60 HydrophobicContact CB-CD1 4.38Å; E49-I60 PolarHBondContact N-O 3.08Å; E49-I60 PolarHBondContact O-N 3Å; Q58-I60 HydrophobicContact CG-CD1 4.37Å; Q58-I60 HydrophobicContact CG-CG1 3.98Å; I60-V211 HydrophobicContact CD1-CG1 4.2Å; I60-W215 HydrophobicContact CD1-CB 4.07Å; I60-W215 VanDerWaalsContact CD1-CD1 3.43Å; I60-W215 HydrophobicContact CD1-CD2 4.38Å; I60-W215 HydrophobicContact CD1-CG 3.73Å; I60-W215 HydrophobicContact CG2-CB 3.81Å; I60-W215 HydrophobicContact CG2-CD2 3.77Å; I60-W215 HydrophobicContact CG2-CE3 3.8Å; I60-W215 HydrophobicContact CG2-CG 3.78Å; I60-T220 HydrophobicContact CG2-CG2 3.67Å; I60-L221 WeakPolarHBondContact CA-O 3.41Å; I60-V222 HydrophobicContact CG1-CG1 4.21Å; I60-V222 HydrophobicContact CG1-CG2 4.22Å; I60-V222 HydrophobicContact CG2-CG2 4.43Å |
| 61 | R | 95.4 | Very high | 92.1 | Very high | 35 Ų | 35 | 40 Ų | 40 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 127.2 | 176.9 | -63.1 | -174.9 | -74.9 | -173.4 | 0.8 | 110.5 | Y48 L59 Q64 T220 L221 E223 E264 | Y48-R61 HydrophobicContact CD2-CG 3.78Å; Y48-R61 HydrophobicContact CE2-CG 4.25Å; L59-R61 HydrophobicContact CD1-CG 3.84Å; L59-R61 HydrophobicContact CG-CG 4.15Å; R61-Q64 HydrophobicContact CB-CG 3.58Å; R61-T220 WeakPolarHBondContact O-CA 3.39Å; R61-L221 PolarHBondContact N-O 3.38Å; R61-L221 PolarHBondContact O-N 3.05Å; R61-E223 IonicContact CZ-OE2 3.49Å; R61-E223 IonicContact NE-OE2 3.86Å; R61-E223 PolarHBondContact NE-OE2 3.46Å; R61-E223 IonicContact NH2-OE1 3.5Å; R61-E223 PolarHBondContact NH2-OE1 3.45Å; R61-E223 IonicContact NH2-OE2 3.24Å; R61-E223 PolarHBondContact NH2-OE2 2.64Å; R61-E264 WeakPolarHBondContact CD-OE1 3.29Å; R61-E264 IonicContact NH1-OE1 3.6Å; R61-E264 PolarHBondContact NH1-OE1 3.38Å; R61-E264 VanDerWaalsContact NH1-OE1 3.15Å; R61-E264 IonicContact NH1-OE2 2.64Å |
| 62 | L | 96.5 | Very high | 92.1 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -81.8 | 160.7 | 174.9 | -62.3 | -171.7 | 0 | 0 | 0 | 111.8 | D46 S47 Q64 W215 Q217 T220 | D46-L62 WeakPolarHBondContact O-CD1 3.49Å; S47-L62 PolarHBondContact O-N 3.15Å; L62-Q64 PolarHBondContact O-N 3.17Å; L62-Q64 PolarHBondContact O-NE2 3.36Å; L62-W215 HydrophobicContact CD1-CE3 4.18Å; L62-W215 HydrophobicContact CD1-CZ3 3.9Å; L62-W215 HydrophobicContact CD2-CE3 3.8Å; L62-W215 HydrophobicContact CD2-CZ3 4.27Å; L62-W215 HydrophobicContact CG-CE3 3.94Å; L62-W215 HydrophobicContact CG-CZ3 3.87Å; L62-Q217 HydrophobicContact CD2-CG 3.98Å; L62-T220 HydrophobicContact CD2-CG2 3.94Å; L62-T220 WeakPolarHBondContact CD2-OG1 3.31Å |
| 63 | N | 95.8 | Very high | 92.3 | Very high | 131 Ų | 131 | 51.9 Ų | 51.9 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 54.3 | 35.8 | 172.1 | -54.7 | -43.5 | 0 | 0 | 0 | 114.1 | G219 | N63-G219 PolarHBondContact N-O 3.38Š|
| 64 | Q | 96 | Very high | 92.4 | Very high | 57 Ų | 57 | 57 Ų | 57 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 145.1 | 179.3 | -63.6 | -55.7 | -63.4 | 0 | 0 | 111.2 | R61 L62 Y175 G219 L221 | R61-Q64 HydrophobicContact CB-CG 3.58Å; L62-Q64 PolarHBondContact O-N 3.17Å; L62-Q64 PolarHBondContact O-NE2 3.36Å; Q64-Y175 HydrophobicContact CB-CE2 4.37Å; Q64-Y175 WeakPolarHBondContact O-CE2 3.43Å; Q64-Y175 PolarHBondContact O-OH 3.41Å; Q64-G219 PolarHBondContact N-O 2.89Å; Q64-L221 HydrophobicContact CB-CB 3.87Å; Q64-L221 HydrophobicContact CG-CB 3.73Å; Q64-L221 HydrophobicContact CG-CD2 4.41Å |
| 65 | P | 95.7 | Very high | 92.7 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 158 | 169 | 29.5 | -35 | 0 | 0 | 0 | 110.2 | P67 Y175 | P65-P67 WeakPolarHBondContact O-CD 3.44Å; P65-Y175 WeakPolarHBondContact O-CE2 3.14Å |
| 66 | V | 94.6 | Very high | 93 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 127.6 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | Y175 | V66-Y175 HydrophobicContact CB-CE1 4.16Å; V66-Y175 HydrophobicContact CG1-CD1 4.45Å; V66-Y175 HydrophobicContact CG1-CE1 4.23Å; V66-Y175 HydrophobicContact CG2-CE1 3.74Å; V66-Y175 PolarHBondContact N-OH 3.02Å |
| 67 | P | 93.3 | Very high | 93 | Very high | 29 Ų | 29 | 70.2 Ų | 70.2 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 143.7 | 177.1 | -26.7 | 34.6 | 0 | 0 | 0 | 111.8 | P65 I69 L165 Y175 L221 | P65-P67 WeakPolarHBondContact O-CD 3.44Å; P67-I69 PolarHBondContact O-N 3.13Å; P67-L165 HydrophobicContact CB-CD1 3.68Å; P67-L165 HydrophobicContact CG-CD1 4.03Å; P67-Y175 VanDerWaalsContact CD-CD2 3.46Å; P67-Y175 VanDerWaalsContact CD-CG 3.44Å; P67-Y175 HydrophobicContact CG-CD2 4.03Å; P67-Y175 HydrophobicContact CG-CG 4.07Å; P67-L221 HydrophobicContact CG-CD1 3.94Å |
| 68 | V | 90.2 | Very high | 93.1 | Very high | 128 Ų | 128 | 72 Ų | 72 | 78% | 0.776 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 118.7 | 177 | -178.6 | 0 | 0 | 0 | 0 | 109 | ||
| 69 | I | 89.9 | Confident | 93.1 | Very high | 36 Ų | 36 | 76.3 Ų | 76.3 | 19% | 0.185 | 41% | 0.408 | C | S | . | . | trans | -113.2 | 109.5 | 179.8 | -58.7 | 170.6 | 0 | 0 | 0 | 108.6 | P67 G71 F73 M142 A144 T163 L165 | P67-I69 PolarHBondContact O-N 3.13Å; I69-G71 PolarHBondContact O-N 2.66Å; I69-F73 HydrophobicContact CB-CE2 4.49Å; I69-F73 HydrophobicContact CD1-CE2 3.84Å; I69-F73 HydrophobicContact CD1-CZ 3.7Å; I69-F73 HydrophobicContact CG2-CE2 4.07Å; I69-F73 HydrophobicContact CG2-CZ 4.27Å; I69-M142 HydrophobicContact CG1-SD 4.48Å; I69-M142 HydrophobicContact CG2-SD 4.44Å; I69-A144 HydrophobicContact CD1-CB 4.15Å; I69-A144 HydrophobicContact CG2-CB 3.89Å; I69-T163 HydrophobicContact CD1-CG2 4.03Å; I69-L165 HydrophobicContact CD1-CD2 3.77Å; I69-L165 HydrophobicContact CG1-CD2 3.97Å | ||
| 70 | S | 79.8 | Confident | 93.1 | Very high | 75 Ų | 75 | 78.6 Ų | 78.6 | 52% | 0.524 | 42% | 0.422 | S | S | . | . | trans | -75.3 | 90.1 | 175.9 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | N139 | S70-N139 PolarHBondContact O-ND2 2.92Š| ||
| 71 | G | 82.2 | Confident | 93 | Very high | 51 Ų | 51 | 81.3 Ų | 81.3 | 53% | 0.526 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 159.1 | 170.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I69 | I69-G71 PolarHBondContact O-N 2.66Š|
| 72 | R | 90.5 | Very high | 93 | Very high | 213 Ų | 213 | 81.7 Ų | 81.7 | 80% | 0.804 | 45% | 0.448 | S | S | * | . | trans | -96.8 | 124.9 | 175.4 | -172 | -177.1 | -67.8 | -169.9 | -1 | 109.2 | ||||
| 73 | F | 95.1 | Very high | 92.9 | Very high | 42 Ų | 42 | 86.6 Ų | 86.6 | 18% | 0.184 | 47% | 0.474 | C | S | . | . | trans | -67.3 | 137.6 | 167.3 | -80.5 | -81.3 | 0 | 0 | 0 | 110.6 | I69 E135 A144 R146 T163 | I69-F73 HydrophobicContact CB-CE2 4.49Å; I69-F73 HydrophobicContact CD1-CE2 3.84Å; I69-F73 HydrophobicContact CD1-CZ 3.7Å; I69-F73 HydrophobicContact CG2-CE2 4.07Å; I69-F73 HydrophobicContact CG2-CZ 4.27Å; F73-E135 HydrophobicContact CB-CB 4.13Å; F73-E135 HydrophobicContact CD1-CB 3.73Å; F73-E135 HydrophobicContact CG-CB 4.32Å; F73-A144 HydrophobicContact CE1-CB 3.95Å; F73-A144 HydrophobicContact CZ-CB 3.74Å; F73-R146 HydrophobicContact CD1-CB 4.4Å; F73-R146 HydrophobicContact CE1-CB 3.86Å; F73-R146 HydrophobicContact CZ-CB 4.42Å; F73-T163 HydrophobicContact CZ-CG2 4.47Å | ||
| 74 | Q | 95.7 | Very high | 92.9 | Very high | 133 Ų | 133 | 81.1 Ų | 81.1 | 62% | 0.621 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.2 | 171.2 | -63 | 179.2 | 11.1 | 0 | 0 | 108.3 | S76 E135 I136 | Q74-S76 PolarHBondContact O-OG 2.8Å; Q74-E135 CarbonylContact O-C 3.6Å; Q74-E135 VanDerWaalsContact O-CA 3.25Å; Q74-E135 WeakPolarHBondContact O-CA 3.45Å; Q74-I136 PolarHBondContact N-O 2.87Å; Q74-I136 PolarHBondContact O-N 2.93Å |
| 75 | E | 96.1 | Very high | 92.9 | Very high | 155 Ų | 155 | 84.9 Ų | 84.9 | 72% | 0.724 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 140.3 | 170.8 | -171.3 | 170.6 | -170.5 | 0 | 0 | 109.7 | ||
| 76 | S | 95.4 | Very high | 92.9 | Very high | 29 Ų | 29 | 81.5 Ų | 81.5 | 20% | 0.203 | 44% | 0.436 | C | S | . | . | trans | -139.9 | 152 | -175.3 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | Q74 L134 | Q74-S76 PolarHBondContact O-OG 2.8Å; S76-L134 PolarHBondContact N-O 2.85Å; S76-L134 WeakPolarHBondContact O-CB 3.35Å | ||
| 77 | E | 94 | Very high | 92.9 | Very high | 157 Ų | 157 | 82.9 Ų | 82.9 | 73% | 0.734 | 44% | 0.439 | S | S | * | . | trans | -83.7 | 140.6 | 175.1 | -64.9 | -175.5 | 179.6 | 0 | 0 | 111 | ||||
| 78 | S | 93.4 | Very high | 93 | Very high | 40 Ų | 40 | 81.5 Ų | 81.5 | 28% | 0.28 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -72.9 | 173.6 | 165.8 | 74.4 | 0 | 0 | 0 | 0 | 110.8 | T80 G102 | S78-T80 VanDerWaalsContact C-N 3.26Å; S78-T80 PolarHBondContact O-N 2.82Å; S78-T80 PolarHBondContact O-OG1 2.75Å; S78-G102 WeakPolarHBondContact OG-CA 3.39Å |
| 79 | N | 95.2 | Very high | 93.2 | Very high | 91 Ų | 91 | 78.8 Ų | 78.8 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 58.1 | 34.4 | -174.6 | -55.5 | -47.4 | 0 | 0 | 0 | 113.9 | Y99 V100 G102 | N79-Y99 VanDerWaalsContact C-CE2 3.47Å; N79-Y99 VanDerWaalsContact CA-CZ 3.5Å; N79-Y99 WeakPolarHBondContact CA-OH 3.46Å; N79-Y99 VanDerWaalsContact CB-OH 3.32Å; N79-Y99 WeakPolarHBondContact CB-OH 3.37Å; N79-Y99 WeakPolarHBondContact O-CE2 3.38Å; N79-Y99 VanDerWaalsContact O-CZ 3.27Å; N79-Y99 PolarHBondContact O-OH 2.62Å; N79-V100 VanDerWaalsContact CA-O 3.23Å; N79-V100 WeakPolarHBondContact CA-O 3.26Å; N79-V100 PolarHBondContact N-O 2.75Å; N79-G102 PolarHBondContact OD1-N 3.11Å |
| 80 | T | 93.5 | Very high | 93.5 | Very high | 51 Ų | 51 | 77.1 Ų | 77.1 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.2 | -177 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | S78 F82 Y99 V100 | S78-T80 VanDerWaalsContact C-N 3.26Å; S78-T80 PolarHBondContact O-N 2.82Å; S78-T80 PolarHBondContact O-OG1 2.75Å; T80-F82 HydrophobicContact CG2-CE1 4.39Å; T80-F82 HydrophobicContact CG2-CE2 4.07Å; T80-F82 HydrophobicContact CG2-CZ 3.95Å; T80-F82 WeakPolarHBondContact O-CD2 3.43Å; T80-F82 VanDerWaalsContact O-CE2 3.32Å; T80-F82 WeakPolarHBondContact O-CE2 3.38Å; T80-Y99 VanDerWaalsContact C-CD2 3.42Å; T80-Y99 WeakPolarHBondContact O-CA 3.38Å; T80-Y99 WeakPolarHBondContact O-CD2 3.09Å; T80-V100 PolarHBondContact O-N 3.33Å; T80-V100 VanDerWaalsContact O-N 3.08Å |
| 81 | A | 94.5 | Very high | 94.1 | Very high | 57 Ų | 57 | 73.9 Ų | 73.9 | 47% | 0.471 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 142 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | F98 Y99 I109 | A81-F98 CarbonylContact C-O 3.6Å; A81-F98 WeakPolarHBondContact CA-O 3.46Å; A81-Y99 HydrophobicContact CB-CD2 3.99Å; A81-I109 HydrophobicContact CB-CD1 4.36Å |
| 82 | F | 95.5 | Very high | 94.2 | Very high | 44 Ų | 44 | 75.1 Ų | 75.1 | 19% | 0.193 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.5 | -178.3 | -62.6 | -90.1 | 0 | 0 | 0 | 110.6 | T80 S97 F98 V100 I136 | T80-F82 HydrophobicContact CG2-CE1 4.39Å; T80-F82 HydrophobicContact CG2-CE2 4.07Å; T80-F82 HydrophobicContact CG2-CZ 3.95Å; T80-F82 WeakPolarHBondContact O-CD2 3.43Å; T80-F82 VanDerWaalsContact O-CE2 3.32Å; T80-F82 WeakPolarHBondContact O-CE2 3.38Å; F82-S97 VanDerWaalsContact O-CA 3.29Å; F82-S97 WeakPolarHBondContact O-CA 3.28Å; F82-S97 WeakPolarHBondContact O-CB 3.2Å; F82-F98 HydrophobicContact CB-CD1 3.92Å; F82-F98 HydrophobicContact CB-CD2 4.33Å; F82-F98 HydrophobicContact CB-CE1 3.33Å; F82-F98 HydrophobicContact CB-CE2 3.82Å; F82-F98 HydrophobicContact CB-CG 4.4Å; F82-F98 HydrophobicContact CB-CZ 3.29Å; F82-F98 HydrophobicContact CD2-CD2 4.22Å; F82-F98 AromaticContact CD2-CE2 3.62Å; F82-F98 HydrophobicContact CD2-CE2 3.62Å; F82-F98 AromaticContact CD2-CZ 3.9Å; F82-F98 HydrophobicContact CD2-CZ 3.9Å; F82-F98 HydrophobicContact CE2-CE2 4.48Å; F82-F98 HydrophobicContact CG-CE1 4.26Å; F82-F98 AromaticContact CG-CE2 3.94Å; F82-F98 HydrophobicContact CG-CE2 3.94Å; F82-F98 AromaticContact CG-CZ 3.7Å; F82-F98 HydrophobicContact CG-CZ 3.7Å; F82-F98 PolarHBondContact N-O 2.94Å; F82-F98 PolarHBondContact O-N 2.88Å; F82-V100 HydrophobicContact CD2-CG2 4.17Å; F82-V100 HydrophobicContact CE2-CB 4.41Å; F82-V100 HydrophobicContact CE2-CG2 4.01Å; F82-I136 HydrophobicContact CD1-CD1 3.99Å; F82-I136 HydrophobicContact CD2-CD1 4.15Å; F82-I136 HydrophobicContact CE1-CD1 3.64Å; F82-I136 HydrophobicContact CE2-CD1 3.81Å; F82-I136 HydrophobicContact CG-CD1 4.24Å; F82-I136 HydrophobicContact CZ-CD1 3.54Å |
| 83 | N | 95.3 | Very high | 94.2 | Very high | 120 Ų | 120 | 67.5 Ų | 67.5 | 64% | 0.642 | 35% | 0.349 | S | S | * | . | trans | -109.2 | 107.4 | 174 | -62.8 | -19.6 | 0 | 0 | 0 | 108.5 | S97 N138 | N83-S97 WeakPolarHBondContact OD1-CB 3.25Å; N83-N138 PolarHBondContact O-ND2 2.84Å | ||
| 84 | P | 95.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | trans | -62.9 | 162.8 | 174.4 | -10.7 | 22.6 | 0 | 0 | 0 | 111.7 | F86 I88 P96 F98 L143 | P84-F86 HydrophobicContact CB-CD1 4.46Å; P84-F86 HydrophobicContact CB-CE1 4.35Å; P84-F86 HydrophobicContact CB-CZ 4.49Å; P84-F86 PolarHBondContact O-N 3.05Å; P84-F86 VanDerWaalsContact O-N 3.13Å; P84-I88 HydrophobicContact CG-CD1 3.67Å; P84-I88 HydrophobicContact CG-CG1 3.7Å; P84-P96 WeakPolarHBondContact CD-O 3.48Å; P84-F98 HydrophobicContact CG-CD1 3.73Å; P84-F98 HydrophobicContact CG-CE1 3.79Å; P84-L143 HydrophobicContact CB-CD2 4.34Å; P84-L143 HydrophobicContact CG-CD2 4.07Å | ||
| 85 | K | 95 | Very high | 94 | Very high | 136 Ų | 136 | 63.9 Ų | 63.9 | 59% | 0.591 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -75.5 | 7.8 | 176.6 | -69.5 | 173 | 178.7 | 164.9 | 0 | 113.8 | N138 | K85-N138 WeakPolarHBondContact CD-O 3.47Å; K85-N138 WeakPolarHBondContact CE-O 3.48Å; K85-N138 PolarHBondContact N-OD1 3.44Å; K85-N138 VanDerWaalsContact N-OD1 3.08Å; K85-N138 PolarHBondContact NZ-O 2.94Å |
| 86 | F | 95.7 | Very high | 94 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -152.3 | 164.6 | 180 | 59 | -90.9 | 0 | 0 | 0 | 109.5 | P84 L143 I166 | P84-F86 HydrophobicContact CB-CD1 4.46Å; P84-F86 HydrophobicContact CB-CE1 4.35Å; P84-F86 HydrophobicContact CB-CZ 4.49Å; P84-F86 PolarHBondContact O-N 3.05Å; P84-F86 VanDerWaalsContact O-N 3.13Å; F86-L143 HydrophobicContact CE1-CB 4.12Å; F86-L143 HydrophobicContact CZ-CB 3.82Å; F86-I166 HydrophobicContact CE2-CG2 4.3Å; F86-I166 HydrophobicContact CZ-CG2 4.49Å; F86-I166 WeakPolarHBondContact CZ-O 3.43Å |
| 87 | M | 95.3 | Very high | 94 | Very high | 110 Ų | 110 | 58 Ų | 58 | 54% | 0.542 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 127.5 | 173.3 | -66.5 | -66 | -179.5 | 0 | 0 | 110.4 | K89 D94 F95 P96 | M87-K89 PolarHBondContact O-N 3.19Å; M87-D94 HydrophobicContact CB-CB 4.08Å; M87-F95 CarbonylContact C-O 3.58Å; M87-P96 HydrophobicContact CE-CB 4.49Å; M87-P96 HydrophobicContact SD-CB 4.02Å |
| 88 | I | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 117.7 | 176.8 | -57 | 174 | 0 | 0 | 0 | 108.7 | P84 D94 F95 F98 I108 I166 | P84-I88 HydrophobicContact CG-CD1 3.67Å; P84-I88 HydrophobicContact CG-CG1 3.7Å; I88-D94 CarbonylContact O-C 3.55Å; I88-D94 WeakPolarHBondContact O-CA 3.42Å; I88-F95 HydrophobicContact CB-CB 4.36Å; I88-F95 PolarHBondContact N-O 3.15Å; I88-F95 PolarHBondContact O-N 3.42Å; I88-F98 HydrophobicContact CD1-CB 3.99Å; I88-F98 HydrophobicContact CD1-CD1 3.92Å; I88-F98 HydrophobicContact CD1-CG 4.35Å; I88-I108 HydrophobicContact CD1-CD1 4.13Å; I88-I108 HydrophobicContact CG2-CD1 4.25Å; I88-I166 HydrophobicContact CG2-CG2 3.96Å |
| 89 | K | 94.6 | Very high | 94.3 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 118.6 | 169 | -75.2 | 176.6 | -172.7 | -52.7 | 0 | 109.6 | M87 S93 D94 G170 | M87-K89 PolarHBondContact O-N 3.19Å; K89-S93 CarbonylContact C-O 3.58Å; K89-S93 WeakPolarHBondContact CA-O 3.39Å; K89-D94 WeakPolarHBondContact CG-OD1 3.43Å; K89-D94 IonicContact NZ-OD1 2.69Å; K89-D94 PolarHBondContact NZ-OD1 2.69Å; K89-D94 IonicContact NZ-OD2 3.36Å; K89-D94 PolarHBondContact NZ-OD2 2.65Å; K89-G170 VanDerWaalsContact CB-CA 3.5Å |
| 90 | Y | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 122.8 | -178.3 | -165 | -106 | 0 | 0 | 0 | 110 | Y56 D92 S93 F95 I108 V116 I117 I172 L192 N193 | Y56-Y90 WeakPolarHBondContact OH-CA 3.08Å; Y90-D92 VanDerWaalsContact C-N 3.32Å; Y90-D92 PolarHBondContact O-N 2.78Å; Y90-S93 PolarHBondContact N-O 3.43Å; Y90-S93 PolarHBondContact O-N 3.02Å; Y90-F95 WeakPolarHBondContact O-CE2 3.35Å; Y90-I108 HydrophobicContact CD1-CB 4.33Å; Y90-I108 HydrophobicContact CD1-CG1 4.03Å; Y90-I108 HydrophobicContact CD1-CG2 4.42Å; Y90-I108 HydrophobicContact CD2-CG1 4.19Å; Y90-I108 HydrophobicContact CE1-CG1 4.22Å; Y90-I108 HydrophobicContact CE2-CG1 4.36Å; Y90-I108 HydrophobicContact CG-CG1 4.03Å; Y90-V116 PolarHBondContact OH-O 2.99Å; Y90-I117 HydrophobicContact CE2-CD1 4.24Å; Y90-I117 HydrophobicContact CE2-CG1 3.79Å; Y90-I172 HydrophobicContact CD2-CD1 3.66Å; Y90-I172 HydrophobicContact CE2-CD1 3.85Å; Y90-L192 HydrophobicContact CE2-CB 4.45Å; Y90-L192 HydrophobicContact CE2-CD2 4.29Å; Y90-N193 WeakPolarHBondContact CE1-O 3.37Å; Y90-N193 VanDerWaalsContact OH-C 3.31Å; Y90-N193 PolarHBondContact OH-N 3.42Å; Y90-N193 VanDerWaalsContact OH-N 3.13Å; Y90-N193 PolarHBondContact OH-O 2.97Å |
| 91 | Y | 92.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 49.9 | -175.7 | -73.4 | -92.2 | 0 | 0 | 0 | 113.3 | F55 Y56 S93 L192 G194 I196 A207 | F55-Y91 HydrophobicContact CB-CD1 3.7Å; F55-Y91 HydrophobicContact CB-CE1 4.13Å; F55-Y91 AromaticContact CD2-CD1 3.86Å; F55-Y91 HydrophobicContact CD2-CD1 3.86Å; F55-Y91 AromaticContact CG-CD1 3.92Å; F55-Y91 HydrophobicContact CG-CD1 3.92Å; Y56-Y91 HydrophobicContact CD2-CD1 4.34Å; Y56-Y91 AromaticContact CD2-CE1 3.96Å; Y56-Y91 HydrophobicContact CD2-CE1 3.96Å; Y56-Y91 HydrophobicContact CD2-CE2 4.3Å; Y56-Y91 AromaticContact CD2-CZ 3.96Å; Y56-Y91 AromaticContact CE2-CD1 3.92Å; Y56-Y91 HydrophobicContact CE2-CD1 3.92Å; Y56-Y91 AromaticContact CE2-CD2 3.64Å; Y56-Y91 HydrophobicContact CE2-CD2 3.64Å; Y56-Y91 AromaticContact CE2-CE1 3.84Å; Y56-Y91 HydrophobicContact CE2-CE1 3.84Å; Y56-Y91 AromaticContact CE2-CE2 3.57Å; Y56-Y91 HydrophobicContact CE2-CE2 3.57Å; Y56-Y91 AromaticContact CE2-CG 3.82Å; Y56-Y91 HydrophobicContact CE2-CG 3.82Å; Y56-Y91 AromaticContact CE2-CZ 3.68Å; Y56-Y91 PolarHBondContact OH-N 2.86Å; Y91-S93 PolarHBondContact O-N 2.96Å; Y91-L192 HydrophobicContact CE2-CB 4.35Å; Y91-L192 PolarHBondContact OH-O 2.94Å; Y91-G194 VanDerWaalsContact CE2-N 3.31Å; Y91-I196 HydrophobicContact CD1-CD1 4.1Å; Y91-I196 HydrophobicContact CG-CD1 4.33Å; Y91-A207 HydrophobicContact CD1-CB 4.28Å; Y91-A207 HydrophobicContact CE1-CB 3.5Å; Y91-A207 PolarHBondContact OH-O 2.91Å; Y91-A207 VanDerWaalsContact OH-O 3.1Å |
| 92 | D | 85.5 | Confident | 94.5 | Very high | 77 Ų | 77 | 46.4 Ų | 46.4 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 23.5 | -179.7 | -168.8 | 50.9 | 0 | 0 | 0 | 115.3 | K25 F55 Y90 | K25-D92 IonicContact NZ-OD2 2.75Å; K25-D92 PolarHBondContact NZ-OD2 2.87Å; F55-D92 HydrophobicContact CD1-CB 3.87Å; F55-D92 HydrophobicContact CE1-CB 3.4Å; F55-D92 HydrophobicContact CZ-CB 4.37Å; Y90-D92 VanDerWaalsContact C-N 3.32Å; Y90-D92 PolarHBondContact O-N 2.78Å |
| 93 | S | 89.7 | Confident | 94.4 | Very high | 52 Ų | 52 | 50.2 Ų | 50.2 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 150.5 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | K89 Y90 Y91 | K89-S93 CarbonylContact C-O 3.58Å; K89-S93 WeakPolarHBondContact CA-O 3.39Å; Y90-S93 PolarHBondContact N-O 3.43Å; Y90-S93 PolarHBondContact O-N 3.02Å; Y91-S93 PolarHBondContact O-N 2.96Å |
| 94 | D | 93.1 | Very high | 94.2 | Very high | 86 Ų | 86 | 44.5 Ų | 44.5 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.7 | -179.9 | -70.3 | -56.9 | 0 | 0 | 0 | 110.4 | M87 I88 K89 | M87-D94 HydrophobicContact CB-CB 4.08Å; I88-D94 CarbonylContact O-C 3.55Å; I88-D94 WeakPolarHBondContact O-CA 3.42Å; K89-D94 WeakPolarHBondContact CG-OD1 3.43Å; K89-D94 IonicContact NZ-OD1 2.69Å; K89-D94 PolarHBondContact NZ-OD1 2.69Å; K89-D94 IonicContact NZ-OD2 3.36Å; K89-D94 PolarHBondContact NZ-OD2 2.65Å |
| 95 | F | 94.7 | Very high | 94.3 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.3 | -177 | -61.2 | -84.2 | 0 | 0 | 0 | 112 | M87 I88 Y90 I108 N110 E114 | M87-F95 CarbonylContact C-O 3.58Å; I88-F95 HydrophobicContact CB-CB 4.36Å; I88-F95 PolarHBondContact N-O 3.15Å; I88-F95 PolarHBondContact O-N 3.42Å; Y90-F95 WeakPolarHBondContact O-CE2 3.35Å; F95-I108 HydrophobicContact CB-CG2 3.5Å; F95-I108 HydrophobicContact CD1-CG2 3.84Å; F95-I108 HydrophobicContact CD2-CG2 3.47Å; F95-I108 VanDerWaalsContact CD2-CG2 3.47Å; F95-I108 HydrophobicContact CE2-CG2 4.12Å; F95-I108 HydrophobicContact CG-CG2 3.29Å; F95-N110 HydrophobicContact CD1-CB 3.74Å; F95-N110 HydrophobicContact CE1-CB 4.23Å; F95-E114 HydrophobicContact CD1-CB 4.04Å; F95-E114 HydrophobicContact CD1-CG 4.1Å; F95-E114 HydrophobicContact CE1-CB 3.33Å; F95-E114 HydrophobicContact CE1-CG 3.44Å; F95-E114 VanDerWaalsContact CE1-CG 3.44Å; F95-E114 HydrophobicContact CZ-CB 3.73Å; F95-E114 HydrophobicContact CZ-CG 4.26Å |
| 96 | P | 95.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 39 Ų | 39 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -83.6 | -18.1 | -173.9 | 32.9 | -35.8 | 0 | 0 | 0 | 113.9 | P84 M87 | P84-P96 WeakPolarHBondContact CD-O 3.48Å; M87-P96 HydrophobicContact CE-CB 4.49Å; M87-P96 HydrophobicContact SD-CB 4.02Å |
| 97 | S | 95.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 159 | -165.7 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | F82 N83 I109 | F82-S97 VanDerWaalsContact O-CA 3.29Å; F82-S97 WeakPolarHBondContact O-CA 3.28Å; F82-S97 WeakPolarHBondContact O-CB 3.2Å; N83-S97 WeakPolarHBondContact OD1-CB 3.25Å; S97-I109 WeakPolarHBondContact O-CG1 3.25Å; S97-I109 PolarHBondContact O-N 2.79Å; S97-I109 VanDerWaalsContact O-N 3.11Å; S97-I109 WeakPolarHBondContact OG-CD1 3.38Å; S97-I109 WeakPolarHBondContact OG-CG1 3.32Å; S97-I109 PolarHBondContact OG-O 3.36Å |
| 98 | F | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 159.7 | 170.3 | 68.8 | -81.3 | 0 | 0 | 0 | 110.6 | A81 F82 P84 I88 V100 I106 E107 I108 I136 L143 I145 | A81-F98 CarbonylContact C-O 3.6Å; A81-F98 WeakPolarHBondContact CA-O 3.46Å; F82-F98 HydrophobicContact CB-CD1 3.92Å; F82-F98 HydrophobicContact CB-CD2 4.33Å; F82-F98 HydrophobicContact CB-CE1 3.33Å; F82-F98 HydrophobicContact CB-CE2 3.82Å; F82-F98 HydrophobicContact CB-CG 4.4Å; F82-F98 HydrophobicContact CB-CZ 3.29Å; F82-F98 HydrophobicContact CD2-CD2 4.22Å; F82-F98 AromaticContact CD2-CE2 3.62Å; F82-F98 HydrophobicContact CD2-CE2 3.62Å; F82-F98 AromaticContact CD2-CZ 3.9Å; F82-F98 HydrophobicContact CD2-CZ 3.9Å; F82-F98 HydrophobicContact CE2-CE2 4.48Å; F82-F98 HydrophobicContact CG-CE1 4.26Å; F82-F98 AromaticContact CG-CE2 3.94Å; F82-F98 HydrophobicContact CG-CE2 3.94Å; F82-F98 AromaticContact CG-CZ 3.7Å; F82-F98 HydrophobicContact CG-CZ 3.7Å; F82-F98 PolarHBondContact N-O 2.94Å; F82-F98 PolarHBondContact O-N 2.88Å; P84-F98 HydrophobicContact CG-CD1 3.73Å; P84-F98 HydrophobicContact CG-CE1 3.79Å; I88-F98 HydrophobicContact CD1-CB 3.99Å; I88-F98 HydrophobicContact CD1-CD1 3.92Å; I88-F98 HydrophobicContact CD1-CG 4.35Å; F98-V100 HydrophobicContact CD2-CG2 3.77Å; F98-V100 HydrophobicContact CE2-CG2 3.54Å; F98-I106 HydrophobicContact CB-CG2 4.27Å; F98-I106 HydrophobicContact CD2-CG2 3.87Å; F98-I106 HydrophobicContact CG-CG2 4.4Å; F98-E107 CarbonylContact C-O 3.57Å; F98-E107 WeakPolarHBondContact CA-O 3.11Å; F98-E107 WeakPolarHBondContact CB-O 3.45Å; F98-I108 HydrophobicContact CB-CD1 4.2Å; F98-I136 HydrophobicContact CE2-CD1 4.41Å; F98-I136 HydrophobicContact CZ-CD1 4.36Å; F98-L143 HydrophobicContact CD1-CD2 3.84Å; F98-L143 HydrophobicContact CE1-CD1 4.12Å; F98-L143 HydrophobicContact CE1-CD2 3.32Å; F98-L143 HydrophobicContact CE1-CG 4.36Å; F98-L143 HydrophobicContact CZ-CD1 3.97Å; F98-L143 HydrophobicContact CZ-CD2 3.7Å; F98-L143 HydrophobicContact CZ-CG 4.41Å; F98-I145 HydrophobicContact CD2-CD1 4.06Å; F98-I145 HydrophobicContact CE2-CD1 3.53Å; F98-I145 HydrophobicContact CE2-CG1 4.33Å; F98-I145 HydrophobicContact CZ-CD1 3.95Å; F98-I145 HydrophobicContact CZ-CG1 4.47Å |
| 99 | Y | 96.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 34.5 Ų | 34.5 | 26% | 0.263 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.2 | 177.3 | -177.3 | -84.3 | 0 | 0 | 0 | 109.8 | N79 T80 A81 K101 I106 E107 | N79-Y99 VanDerWaalsContact C-CE2 3.47Å; N79-Y99 VanDerWaalsContact CA-CZ 3.5Å; N79-Y99 WeakPolarHBondContact CA-OH 3.46Å; N79-Y99 VanDerWaalsContact CB-OH 3.32Å; N79-Y99 WeakPolarHBondContact CB-OH 3.37Å; N79-Y99 WeakPolarHBondContact O-CE2 3.38Å; N79-Y99 VanDerWaalsContact O-CZ 3.27Å; N79-Y99 PolarHBondContact O-OH 2.62Å; T80-Y99 VanDerWaalsContact C-CD2 3.42Å; T80-Y99 WeakPolarHBondContact O-CA 3.38Å; T80-Y99 WeakPolarHBondContact O-CD2 3.09Å; A81-Y99 HydrophobicContact CB-CD2 3.99Å; Y99-K101 HydrophobicContact CD1-CG 3.84Å; Y99-K101 HydrophobicContact CE1-CG 3.64Å; Y99-I106 CarbonylContact O-C 3.58Å; Y99-E107 PolarHBondContact N-O 2.88Å; Y99-E107 PolarHBondContact O-N 3.49Å |
| 100 | V | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 111.3 | 179.3 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | N79 T80 F82 F98 I106 I131 L134 | N79-V100 VanDerWaalsContact CA-O 3.23Å; N79-V100 WeakPolarHBondContact CA-O 3.26Å; N79-V100 PolarHBondContact N-O 2.75Å; T80-V100 PolarHBondContact O-N 3.33Å; T80-V100 VanDerWaalsContact O-N 3.08Å; F82-V100 HydrophobicContact CD2-CG2 4.17Å; F82-V100 HydrophobicContact CE2-CB 4.41Å; F82-V100 HydrophobicContact CE2-CG2 4.01Å; F98-V100 HydrophobicContact CD2-CG2 3.77Å; F98-V100 HydrophobicContact CE2-CG2 3.54Å; V100-I106 HydrophobicContact CG2-CG1 4.39Å; V100-I131 HydrophobicContact CG1-CD1 4.03Å; V100-L134 HydrophobicContact CB-CD2 4.25Å; V100-L134 HydrophobicContact CG1-CD1 4.09Å; V100-L134 HydrophobicContact CG1-CD2 3.88Å |
| 101 | K | 96 | Very high | 93.3 | Very high | 73 Ų | 73 | 39.5 Ų | 39.5 | 32% | 0.317 | 22% | 0.222 | S | C | . | . | trans | -75.9 | 150.8 | 173.4 | -75 | -178.1 | 164.8 | 169.8 | 0 | 111.7 | Y99 Y103 G104 F105 E107 I131 | Y99-K101 HydrophobicContact CD1-CG 3.84Å; Y99-K101 HydrophobicContact CE1-CG 3.64Å; K101-Y103 PolarHBondContact O-N 2.84Å; K101-G104 PolarHBondContact O-N 3.28Å; K101-F105 HydrophobicContact CB-CB 4.05Å; K101-F105 HydrophobicContact CB-CD2 4.21Å; K101-F105 HydrophobicContact CD-CB 4.19Å; K101-F105 HydrophobicContact CD-CD2 4.29Å; K101-F105 HydrophobicContact CG-CB 4.43Å; K101-F105 PolarHBondContact N-O 3.11Å; K101-E107 HydrophobicContact CD-CG 4.33Å; K101-E107 WeakPolarHBondContact CD-OE1 3.25Å; K101-E107 WeakPolarHBondContact CE-OE1 3.04Å; K101-E107 VanDerWaalsContact CE-OE2 3.25Å; K101-E107 WeakPolarHBondContact CE-OE2 3.39Å; K101-E107 IonicContact NZ-OE1 2.96Å; K101-E107 PolarHBondContact NZ-OE1 2.97Å; K101-E107 IonicContact NZ-OE2 3.66Å; K101-E107 PolarHBondContact NZ-OE2 3.05Å; K101-I131 WeakPolarHBondContact O-CD1 3.25Å | ||
| 102 | G | 95.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -15.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | S78 N79 G130 I131 | S78-G102 WeakPolarHBondContact OG-CA 3.39Å; N79-G102 PolarHBondContact OD1-N 3.11Å; G102-G130 CarbonylContact O-C 3.6Å; G102-G130 WeakPolarHBondContact O-CA 3.37Å; G102-I131 WeakPolarHBondContact O-CG1 3.44Å; G102-I131 PolarHBondContact O-N 2.83Å |
| 103 | Y | 95.2 | Very high | 92.7 | Very high | 124 Ų | 124 | 44.8 Ų | 44.8 | 49% | 0.486 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 8.8 | 177.9 | -63.1 | -58.4 | 0 | 0 | 0 | 114.4 | K101 F120 Y128 | K101-Y103 PolarHBondContact O-N 2.84Å; Y103-F120 WeakPolarHBondContact O-CB 3.44Å; Y103-Y128 VanDerWaalsContact CD1-CB 3.43Å; Y103-Y128 HydrophobicContact CG-CG 4.32Å |
| 104 | G | 90.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 106.8 | -8.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | K101 I106 Q147 Y149 | K101-G104 PolarHBondContact O-N 3.28Å; G104-I106 PolarHBondContact O-N 2.84Å; G104-Q147 VanDerWaalsContact CA-NE2 3.35Å; G104-Q147 PolarHBondContact O-NE2 3.13Å; G104-Q147 VanDerWaalsContact O-NE2 3.08Å; G104-Y149 WeakPolarHBondContact CA-OH 3.46Å |
| 105 | F | 96.5 | Very high | 92.9 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | trans | -74.1 | 120.1 | 179.6 | -53.1 | -80.9 | 0 | 0 | 0 | 110.7 | K101 E107 V116 N118 F120 Y128 | K101-F105 HydrophobicContact CB-CB 4.05Å; K101-F105 HydrophobicContact CB-CD2 4.21Å; K101-F105 HydrophobicContact CD-CB 4.19Å; K101-F105 HydrophobicContact CD-CD2 4.29Å; K101-F105 HydrophobicContact CG-CB 4.43Å; K101-F105 PolarHBondContact N-O 3.11Å; F105-E107 HydrophobicContact CB-CG 4.41Å; F105-V116 HydrophobicContact CB-CG1 3.81Å; F105-V116 HydrophobicContact CD1-CG1 3.8Å; F105-V116 HydrophobicContact CG-CG1 4.3Å; F105-N118 VanDerWaalsContact CD1-OD1 3.25Å; F105-N118 WeakPolarHBondContact CD1-OD1 3.33Å; F105-N118 WeakPolarHBondContact CE1-OD1 3.41Å; F105-F120 HydrophobicContact CD1-CD1 4.28Å; F105-F120 AromaticContact CE1-CD1 3.64Å; F105-F120 HydrophobicContact CE1-CD1 3.64Å; F105-F120 AromaticContact CE1-CE1 3.71Å; F105-F120 HydrophobicContact CE1-CE1 3.71Å; F105-F120 HydrophobicContact CZ-CD1 4Å; F105-F120 HydrophobicContact CZ-CE1 4.15Å; F105-Y128 HydrophobicContact CE1-CE1 4.47Å; F105-Y128 HydrophobicContact CE2-CD1 4.27Å; F105-Y128 HydrophobicContact CE2-CE1 4.12Å; F105-Y128 HydrophobicContact CZ-CD1 4.06Å; F105-Y128 AromaticContact CZ-CE1 3.49Å; F105-Y128 HydrophobicContact CZ-CE1 3.49Å; F105-Y128 VanDerWaalsContact CZ-CE1 3.49Å; F105-Y128 HydrophobicContact CZ-CE2 4.46Å; F105-Y128 AromaticContact CZ-CZ 3.72Å | ||
| 106 | I | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 100 | 170.3 | -59.6 | 160.5 | 0 | 0 | 0 | 106.7 | F98 Y99 V100 G104 V116 I117 I145 T164 | F98-I106 HydrophobicContact CB-CG2 4.27Å; F98-I106 HydrophobicContact CD2-CG2 3.87Å; F98-I106 HydrophobicContact CG-CG2 4.4Å; Y99-I106 CarbonylContact O-C 3.58Å; V100-I106 HydrophobicContact CG2-CG1 4.39Å; G104-I106 PolarHBondContact O-N 2.84Å; I106-V116 WeakPolarHBondContact O-CA 3.38Å; I106-I117 HydrophobicContact CB-CB 4.11Å; I106-I117 PolarHBondContact N-O 2.72Å; I106-I117 PolarHBondContact O-N 3.03Å; I106-I145 HydrophobicContact CD1-CB 4.28Å; I106-I145 HydrophobicContact CD1-CD1 3.82Å; I106-I145 HydrophobicContact CD1-CG2 4.05Å; I106-I145 HydrophobicContact CG1-CD1 4.3Å; I106-I145 HydrophobicContact CG2-CD1 4.05Å; I106-T164 HydrophobicContact CD1-CG2 4.19Å |
| 107 | E | 97 | Very high | 93.1 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.2 | -177.5 | -53.3 | -169.2 | 139.5 | 0 | 0 | 110.3 | F98 Y99 K101 F105 I109 H113 G115 V116 | F98-E107 CarbonylContact C-O 3.57Å; F98-E107 WeakPolarHBondContact CA-O 3.11Å; F98-E107 WeakPolarHBondContact CB-O 3.45Å; Y99-E107 PolarHBondContact N-O 2.88Å; Y99-E107 PolarHBondContact O-N 3.49Å; K101-E107 HydrophobicContact CD-CG 4.33Å; K101-E107 WeakPolarHBondContact CD-OE1 3.25Å; K101-E107 WeakPolarHBondContact CE-OE1 3.04Å; K101-E107 VanDerWaalsContact CE-OE2 3.25Å; K101-E107 WeakPolarHBondContact CE-OE2 3.39Å; K101-E107 IonicContact NZ-OE1 2.96Å; K101-E107 PolarHBondContact NZ-OE1 2.97Å; K101-E107 IonicContact NZ-OE2 3.66Å; K101-E107 PolarHBondContact NZ-OE2 3.05Å; F105-E107 HydrophobicContact CB-CG 4.41Å; E107-I109 HydrophobicContact CB-CG2 4.32Å; E107-H113 IonicContact OE1-ND1 2.6Å; E107-H113 IonicContact OE2-CE1 3.43Å; E107-H113 PolarHBondContact OE2-CE1 3.3Å; E107-H113 IonicContact OE2-ND1 3.59Å; E107-H113 PolarHBondContact OE2-ND1 2.9Å; E107-G115 CarbonylContact C-O 3.54Å; E107-G115 WeakPolarHBondContact CA-O 3.47Å; E107-V116 HydrophobicContact CG-CG2 4.24Å |
| 108 | I | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125 | 172.9 | -54.1 | -54.2 | 0 | 0 | 0 | 107.7 | I88 Y90 F95 F98 E114 G115 I117 | I88-I108 HydrophobicContact CD1-CD1 4.13Å; I88-I108 HydrophobicContact CG2-CD1 4.25Å; Y90-I108 HydrophobicContact CD1-CB 4.33Å; Y90-I108 HydrophobicContact CD1-CG1 4.03Å; Y90-I108 HydrophobicContact CD1-CG2 4.42Å; Y90-I108 HydrophobicContact CD2-CG1 4.19Å; Y90-I108 HydrophobicContact CE1-CG1 4.22Å; Y90-I108 HydrophobicContact CE2-CG1 4.36Å; Y90-I108 HydrophobicContact CG-CG1 4.03Å; F95-I108 HydrophobicContact CB-CG2 3.5Å; F95-I108 HydrophobicContact CD1-CG2 3.84Å; F95-I108 HydrophobicContact CD2-CG2 3.47Å; F95-I108 VanDerWaalsContact CD2-CG2 3.47Å; F95-I108 HydrophobicContact CE2-CG2 4.12Å; F95-I108 HydrophobicContact CG-CG2 3.29Å; F98-I108 HydrophobicContact CB-CD1 4.2Å; I108-E114 PolarHBondContact O-N 2.95Å; I108-G115 PolarHBondContact N-O 3.08Å; I108-G115 PolarHBondContact O-N 2.8Å; I108-I117 HydrophobicContact CD1-CD1 4.19Å |
| 109 | I | 93.2 | Very high | 93.2 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.9 | -168.7 | 50.3 | 156.1 | 0 | 0 | 0 | 112.4 | A81 S97 E107 E112 | A81-I109 HydrophobicContact CB-CD1 4.36Å; S97-I109 WeakPolarHBondContact O-CG1 3.25Å; S97-I109 PolarHBondContact O-N 2.79Å; S97-I109 VanDerWaalsContact O-N 3.11Å; S97-I109 WeakPolarHBondContact OG-CD1 3.38Å; S97-I109 WeakPolarHBondContact OG-CG1 3.32Å; S97-I109 PolarHBondContact OG-O 3.36Å; E107-I109 HydrophobicContact CB-CG2 4.32Å; I109-E112 WeakPolarHBondContact CA-O 3.11Å |
| 110 | N | 85.9 | Confident | 93.2 | Very high | 88 Ų | 88 | 34.4 Ų | 34.4 | 47% | 0.471 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -142.4 | 70.9 | 168.7 | -179 | 22.5 | 0 | 0 | 0 | 109 | F95 E112 E114 | F95-N110 HydrophobicContact CD1-CB 3.74Å; F95-N110 HydrophobicContact CE1-CB 4.23Å; N110-E112 PolarHBondContact N-O 3.09Å; N110-E112 VanDerWaalsContact N-O 3.1Å; N110-E112 PolarHBondContact O-N 3.27Å; N110-E114 HydrophobicContact CB-CG 4.38Å |
| 111 | G | 80.6 | Confident | 93.2 | Very high | 87 Ų | 87 | 34.4 Ų | 34.4 | 90% | 0.897 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 74.9 | -37.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 112 | E | 81.1 | Confident | 93.1 | Very high | 84 Ų | 84 | 33.1 Ų | 33.1 | 39% | 0.393 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -120.3 | 168.4 | 171.9 | -62.6 | -177 | 155.5 | 0 | 0 | 111.1 | I109 N110 E114 K197 | I109-E112 WeakPolarHBondContact CA-O 3.11Å; N110-E112 PolarHBondContact N-O 3.09Å; N110-E112 VanDerWaalsContact N-O 3.1Å; N110-E112 PolarHBondContact O-N 3.27Å; E112-E114 PolarHBondContact O-N 3.12Å; E112-K197 IonicContact OE2-NZ 3.36Å |
| 113 | H | 84.1 | Confident | 92.9 | Very high | 113 Ų | 113 | 33.7 Ų | 33.7 | 52% | 0.523 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 118.3 | 173.5 | -57.8 | -83.3 | 0 | 0 | 0 | 110.1 | E107 | E107-H113 IonicContact OE1-ND1 2.6Å; E107-H113 IonicContact OE2-CE1 3.43Å; E107-H113 PolarHBondContact OE2-CE1 3.3Å; E107-H113 IonicContact OE2-ND1 3.59Å; E107-H113 PolarHBondContact OE2-ND1 2.9Å |
| 114 | E | 91 | Very high | 92.5 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -14.3 | -173 | -61.2 | -81.3 | -161.3 | 0 | 0 | 111.8 | F95 I108 N110 E112 V195 K197 | F95-E114 HydrophobicContact CD1-CB 4.04Å; F95-E114 HydrophobicContact CD1-CG 4.1Å; F95-E114 HydrophobicContact CE1-CB 3.33Å; F95-E114 HydrophobicContact CE1-CG 3.44Å; F95-E114 VanDerWaalsContact CE1-CG 3.44Å; F95-E114 HydrophobicContact CZ-CB 3.73Å; F95-E114 HydrophobicContact CZ-CG 4.26Å; I108-E114 PolarHBondContact O-N 2.95Å; N110-E114 HydrophobicContact CB-CG 4.38Å; E112-E114 PolarHBondContact O-N 3.12Å; E114-V195 WeakPolarHBondContact O-CB 3.38Å; E114-V195 PolarHBondContact O-N 3.07Å; E114-K197 IonicContact OE1-NZ 3.15Å; E114-K197 PolarHBondContact OE1-NZ 3.02Å; E114-K197 VanDerWaalsContact OE2-CE 3.26Å; E114-K197 WeakPolarHBondContact OE2-CE 3.28Å; E114-K197 IonicContact OE2-NZ 3.73Å; E114-K197 PolarHBondContact OE2-NZ 2.77Å |
| 115 | G | 94.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 167.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | E107 I108 N193 | E107-G115 CarbonylContact C-O 3.54Å; E107-G115 WeakPolarHBondContact CA-O 3.47Å; I108-G115 PolarHBondContact N-O 3.08Å; I108-G115 PolarHBondContact O-N 2.8Å; G115-N193 CarbonylContact C-O 3.4Å; G115-N193 WeakPolarHBondContact CA-O 3.32Å |
| 116 | V | 96.9 | Very high | 92.1 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 126.5 | 176.6 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | Y90 F105 I106 E107 N118 N193 | Y90-V116 PolarHBondContact OH-O 2.99Å; F105-V116 HydrophobicContact CB-CG1 3.81Å; F105-V116 HydrophobicContact CD1-CG1 3.8Å; F105-V116 HydrophobicContact CG-CG1 4.3Å; I106-V116 WeakPolarHBondContact O-CA 3.38Å; E107-V116 HydrophobicContact CG-CG2 4.24Å; V116-N118 WeakPolarHBondContact CG1-OD1 3.43Å; V116-N193 HydrophobicContact CB-CB 4.43Å; V116-N193 PolarHBondContact N-O 3.26Å; V116-N193 PolarHBondContact O-N 3.47Å |
| 117 | I | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.6 | 165.2 | -56 | 173.4 | 0 | 0 | 0 | 107 | Y90 I106 I108 T164 I166 I172 F174 L192 | Y90-I117 HydrophobicContact CE2-CD1 4.24Å; Y90-I117 HydrophobicContact CE2-CG1 3.79Å; I106-I117 HydrophobicContact CB-CB 4.11Å; I106-I117 PolarHBondContact N-O 2.72Å; I106-I117 PolarHBondContact O-N 3.03Å; I108-I117 HydrophobicContact CD1-CD1 4.19Å; I117-T164 HydrophobicContact CG2-CG2 4.04Å; I117-I166 HydrophobicContact CD1-CD1 3.64Å; I117-I166 HydrophobicContact CD1-CG1 4.24Å; I117-I172 HydrophobicContact CD1-CD1 4.27Å; I117-I172 HydrophobicContact CD1-CG2 4.47Å; I117-F174 HydrophobicContact CG2-CE1 3.51Å; I117-F174 HydrophobicContact CG2-CZ 3.65Å; I117-L192 HydrophobicContact CB-CD2 4.31Å; I117-L192 HydrophobicContact CG1-CD2 3.92Å; I117-L192 HydrophobicContact CG2-CD2 3.96Å |
| 118 | N | 97.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.9 | -177.9 | -62.9 | -61.9 | 0 | 0 | 0 | 109.7 | F105 V116 F120 S190 G191 N193 | F105-N118 VanDerWaalsContact CD1-OD1 3.25Å; F105-N118 WeakPolarHBondContact CD1-OD1 3.33Å; F105-N118 WeakPolarHBondContact CE1-OD1 3.41Å; V116-N118 WeakPolarHBondContact CG1-OD1 3.43Å; N118-F120 HydrophobicContact CB-CD1 4.2Å; N118-F120 HydrophobicContact CB-CE1 4.26Å; N118-S190 VanDerWaalsContact O-CA 3.23Å; N118-S190 WeakPolarHBondContact O-CA 3.22Å; N118-G191 PolarHBondContact N-O 3.04Å; N118-G191 PolarHBondContact O-N 2.81Å; N118-G191 VanDerWaalsContact O-N 3.09Å; N118-N193 PolarHBondContact ND2-ND2 3.4Å; N118-N193 VanDerWaalsContact ND2-ND2 3.1Å |
| 119 | N | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 73.7 | 165.7 | -85.8 | -50.3 | 0 | 0 | 0 | 107.6 | Y149 V162 T164 F174 K189 S190 | N119-Y149 WeakPolarHBondContact O-CE2 3.39Å; N119-Y149 VanDerWaalsContact O-CZ 3.31Å; N119-Y149 PolarHBondContact O-OH 2.78Å; N119-V162 HydrophobicContact CB-CG1 3.95Å; N119-V162 HydrophobicContact CB-CG2 4.37Å; N119-T164 PolarHBondContact ND2-OG1 2.6Å; N119-F174 WeakPolarHBondContact ND2-CD1 3.5Å; N119-F174 VanDerWaalsContact ND2-CE1 3.28Å; N119-F174 WeakPolarHBondContact ND2-CE1 3.4Å; N119-K189 WeakPolarHBondContact CA-O 3.33Å; N119-S190 VanDerWaalsContact OD1-CB 3.26Å; N119-S190 WeakPolarHBondContact OD1-CB 3.13Å; N119-S190 PolarHBondContact OD1-OG 3.07Å |
| 120 | F | 96.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 157.2 | -173.7 | 66.3 | -107.7 | 0 | 0 | 0 | 112.6 | Y103 F105 N118 K122 Y128 V188 K189 | Y103-F120 WeakPolarHBondContact O-CB 3.44Å; F105-F120 HydrophobicContact CD1-CD1 4.28Å; F105-F120 AromaticContact CE1-CD1 3.64Å; F105-F120 HydrophobicContact CE1-CD1 3.64Å; F105-F120 AromaticContact CE1-CE1 3.71Å; F105-F120 HydrophobicContact CE1-CE1 3.71Å; F105-F120 HydrophobicContact CZ-CD1 4Å; F105-F120 HydrophobicContact CZ-CE1 4.15Å; N118-F120 HydrophobicContact CB-CD1 4.2Å; N118-F120 HydrophobicContact CB-CE1 4.26Å; F120-K122 HydrophobicContact CD2-CG 4.07Å; F120-K122 HydrophobicContact CE2-CD 3.95Å; F120-K122 HydrophobicContact CE2-CG 3.89Å; F120-Y128 HydrophobicContact CD1-CE1 4.31Å; F120-Y128 AromaticContact CD2-CD1 3.89Å; F120-Y128 HydrophobicContact CD2-CD1 3.89Å; F120-Y128 AromaticContact CD2-CE1 3.78Å; F120-Y128 HydrophobicContact CD2-CE1 3.78Å; F120-Y128 HydrophobicContact CE1-CE1 4.16Å; F120-Y128 HydrophobicContact CE2-CD1 4.2Å; F120-Y128 AromaticContact CE2-CE1 3.66Å; F120-Y128 HydrophobicContact CE2-CE1 3.66Å; F120-Y128 HydrophobicContact CG-CD1 4.22Å; F120-Y128 HydrophobicContact CG-CE1 4.12Å; F120-Y128 AromaticContact CZ-CE1 3.81Å; F120-Y128 HydrophobicContact CZ-CE1 3.81Å; F120-V188 WeakPolarHBondContact O-CA 3.23Å; F120-K189 HydrophobicContact CD1-CB 4.31Å; F120-K189 HydrophobicContact CD2-CB 4.24Å; F120-K189 HydrophobicContact CE1-CB 3.68Å; F120-K189 HydrophobicContact CE1-CD 3.91Å; F120-K189 HydrophobicContact CE1-CG 4.15Å; F120-K189 HydrophobicContact CE2-CB 3.55Å; F120-K189 HydrophobicContact CZ-CB 3.26Å; F120-K189 HydrophobicContact CZ-CD 3.63Å; F120-K189 HydrophobicContact CZ-CG 3.96Å; F120-K189 PolarHBondContact N-O 2.92Å; F120-K189 VanDerWaalsContact N-O 3.15Å; F120-K189 PolarHBondContact O-N 3.1Å; F120-K189 VanDerWaalsContact O-N 3.17Å |
| 121 | L | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143.8 | 172 | 179.1 | 66.6 | 0 | 0 | 0 | 110.3 | V129 Y149 Q151 F160 I183 Q187 V188 | L121-V129 HydrophobicContact CB-CB 4.25Å; L121-V129 HydrophobicContact CB-CG2 4.5Å; L121-V129 HydrophobicContact CD2-CB 4.29Å; L121-V129 HydrophobicContact CD2-CG1 4.35Å; L121-V129 HydrophobicContact CD2-CG2 4.18Å; L121-V129 HydrophobicContact CG-CB 4.26Å; L121-V129 HydrophobicContact CG-CG2 4.03Å; L121-V129 PolarHBondContact O-N 2.84Å; L121-Y149 HydrophobicContact CB-CD1 4.3Å; L121-Y149 HydrophobicContact CB-CG 4.07Å; L121-Q151 HydrophobicContact CD2-CB 4.44Å; L121-F160 HydrophobicContact CB-CB 4.46Å; L121-F160 HydrophobicContact CB-CD1 4.16Å; L121-F160 HydrophobicContact CD2-CB 4.18Å; L121-I183 HydrophobicContact CD1-CD1 4.11Å; L121-I183 HydrophobicContact CD1-CG1 4.32Å; L121-I183 HydrophobicContact CD1-CG2 4.34Å; L121-Q187 CarbonylContact C-O 3.5Å; L121-Q187 WeakPolarHBondContact CA-O 3.28Å; L121-Q187 HydrophobicContact CD1-CB 4.15Å; L121-V188 HydrophobicContact CD1-CG2 3.69Å |
| 122 | K | 94.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -116.9 | 149.3 | 169.8 | -69.6 | 178 | 168.4 | -174.3 | 0 | 110.9 | F120 L126 N127 Y128 Q187 | F120-K122 HydrophobicContact CD2-CG 4.07Å; F120-K122 HydrophobicContact CE2-CD 3.95Å; F120-K122 HydrophobicContact CE2-CG 3.89Å; K122-L126 HydrophobicContact CD-CB 4.35Å; K122-L126 WeakPolarHBondContact CD-O 3.04Å; K122-N127 CarbonylContact C-O 3.58Å; K122-N127 WeakPolarHBondContact CA-O 3.31Å; K122-Y128 VanDerWaalsContact CE-CE1 3.49Å; K122-Y128 HydrophobicContact CG-CD1 4.19Å; K122-Y128 HydrophobicContact CG-CE1 4.41Å; K122-Q187 PolarHBondContact N-O 3.34Å; K122-Q187 WeakPolarHBondContact O-CB 3.28Å; K122-Q187 WeakPolarHBondContact O-CG 3.45Å |
| 123 | D | 91 | Very high | 93.6 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | trans | -76.4 | -174.3 | 175.2 | 72.3 | 8.7 | 0 | 0 | 0 | 112.5 | H125 L126 N127 V129 Q151 Q187 | D123-H125 PolarHBondContact O-N 2.77Å; D123-H125 VanDerWaalsContact OD1-CA 3.26Å; D123-H125 WeakPolarHBondContact OD1-CA 3.38Å; D123-H125 WeakPolarHBondContact OD1-CB 3.44Å; D123-H125 PolarHBondContact OD1-N 3Å; D123-L126 PolarHBondContact O-N 2.77Å; D123-L126 VanDerWaalsContact O-N 3.11Å; D123-L126 PolarHBondContact OD1-N 2.8Å; D123-N127 PolarHBondContact N-O 2.8Å; D123-N127 PolarHBondContact OD1-N 2.77Å; D123-N127 PolarHBondContact OD2-ND2 2.81Å; D123-V129 HydrophobicContact CB-CG2 4.2Å; D123-Q151 HydrophobicContact CB-CG 4.35Å; D123-Q151 VanDerWaalsContact CB-NE2 3.32Å; D123-Q187 VanDerWaalsContact C-NE2 3.31Å; D123-Q187 PolarHBondContact O-NE2 3.45Å | ||
| 124 | D | 87.8 | Confident | 94.3 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.8 | 177.7 | -64.9 | -55.3 | 0 | 0 | 0 | 113.8 | L126 H154 K184 Q187 | D124-L126 VanDerWaalsContact C-N 3.35Å; D124-H154 IonicContact OD1-CE1 2.76Å; D124-H154 PolarHBondContact OD1-CE1 3.45Å; D124-H154 IonicContact OD1-ND1 2.71Å; D124-H154 IonicContact OD2-CE1 3.81Å; D124-H154 PolarHBondContact OD2-CE1 2.9Å; D124-H154 VanDerWaalsContact OD2-CE1 3.24Å; D124-H154 IonicContact OD2-CG 2.73Å; D124-H154 IonicContact OD2-ND1 3.1Å; D124-H154 PolarHBondContact OD2-ND1 2.74Å; D124-K184 IonicContact OD1-NZ 2.99Å; D124-Q187 PolarHBondContact OD1-NE2 3.33Å; D124-Q187 VanDerWaalsContact OD1-NE2 3.07Å |
| 125 | H | 89.1 | Confident | 94.6 | Very high | 156 Ų | 156 | 42.8 Ų | 42.8 | 72% | 0.722 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 10 | 176.4 | -58.1 | -59 | 0 | 0 | 0 | 112.1 | D123 N127 | D123-H125 PolarHBondContact O-N 2.77Å; D123-H125 VanDerWaalsContact OD1-CA 3.26Å; D123-H125 WeakPolarHBondContact OD1-CA 3.38Å; D123-H125 WeakPolarHBondContact OD1-CB 3.44Å; D123-H125 PolarHBondContact OD1-N 3Å; H125-N127 WeakPolarHBondContact CB-ND2 3.35Å; H125-N127 PolarHBondContact O-N 3.02Å |
| 126 | L | 88.5 | Confident | 94.7 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 44% | 0.435 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 63.7 | 19.7 | -179.1 | -54.7 | 177.6 | 0 | 0 | 0 | 115.1 | K122 D123 D124 | K122-L126 HydrophobicContact CD-CB 4.35Å; K122-L126 WeakPolarHBondContact CD-O 3.04Å; D123-L126 PolarHBondContact O-N 2.77Å; D123-L126 VanDerWaalsContact O-N 3.11Å; D123-L126 PolarHBondContact OD1-N 2.8Å; D124-L126 VanDerWaalsContact C-N 3.35Å |
| 127 | N | 92.9 | Very high | 94.7 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -80.3 | 147.2 | 171.1 | -54.8 | -59.9 | 0 | 0 | 0 | 110.5 | K122 D123 H125 V129 | K122-N127 CarbonylContact C-O 3.58Å; K122-N127 WeakPolarHBondContact CA-O 3.31Å; D123-N127 PolarHBondContact N-O 2.8Å; D123-N127 PolarHBondContact OD1-N 2.77Å; D123-N127 PolarHBondContact OD2-ND2 2.81Å; H125-N127 WeakPolarHBondContact CB-ND2 3.35Å; H125-N127 PolarHBondContact O-N 3.02Å; N127-V129 PolarHBondContact O-N 3.25Å |
| 128 | Y | 94.1 | Very high | 94.6 | Very high | 100 Ų | 100 | 44.4 Ų | 44.4 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -66.7 | 130.4 | 177.9 | -65.1 | -73.8 | 0 | 0 | 0 | 111.9 | Y103 F105 F120 K122 | Y103-Y128 VanDerWaalsContact CD1-CB 3.43Å; Y103-Y128 HydrophobicContact CG-CG 4.32Å; F105-Y128 HydrophobicContact CE1-CE1 4.47Å; F105-Y128 HydrophobicContact CE2-CD1 4.27Å; F105-Y128 HydrophobicContact CE2-CE1 4.12Å; F105-Y128 HydrophobicContact CZ-CD1 4.06Å; F105-Y128 AromaticContact CZ-CE1 3.49Å; F105-Y128 HydrophobicContact CZ-CE1 3.49Å; F105-Y128 VanDerWaalsContact CZ-CE1 3.49Å; F105-Y128 HydrophobicContact CZ-CE2 4.46Å; F105-Y128 AromaticContact CZ-CZ 3.72Å; F120-Y128 HydrophobicContact CD1-CE1 4.31Å; F120-Y128 AromaticContact CD2-CD1 3.89Å; F120-Y128 HydrophobicContact CD2-CD1 3.89Å; F120-Y128 AromaticContact CD2-CE1 3.78Å; F120-Y128 HydrophobicContact CD2-CE1 3.78Å; F120-Y128 HydrophobicContact CE1-CE1 4.16Å; F120-Y128 HydrophobicContact CE2-CD1 4.2Å; F120-Y128 AromaticContact CE2-CE1 3.66Å; F120-Y128 HydrophobicContact CE2-CE1 3.66Å; F120-Y128 HydrophobicContact CG-CD1 4.22Å; F120-Y128 HydrophobicContact CG-CE1 4.12Å; F120-Y128 AromaticContact CZ-CE1 3.81Å; F120-Y128 HydrophobicContact CZ-CE1 3.81Å; K122-Y128 VanDerWaalsContact CE-CE1 3.49Å; K122-Y128 HydrophobicContact CG-CD1 4.19Å; K122-Y128 HydrophobicContact CG-CE1 4.41Å |
| 129 | V | 94.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 129.4 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | L121 D123 N127 Y149 Q151 | L121-V129 HydrophobicContact CB-CB 4.25Å; L121-V129 HydrophobicContact CB-CG2 4.5Å; L121-V129 HydrophobicContact CD2-CB 4.29Å; L121-V129 HydrophobicContact CD2-CG1 4.35Å; L121-V129 HydrophobicContact CD2-CG2 4.18Å; L121-V129 HydrophobicContact CG-CB 4.26Å; L121-V129 HydrophobicContact CG-CG2 4.03Å; L121-V129 PolarHBondContact O-N 2.84Å; D123-V129 HydrophobicContact CB-CG2 4.2Å; N127-V129 PolarHBondContact O-N 3.25Å; V129-Y149 WeakPolarHBondContact O-CD1 3.48Å; V129-Q151 HydrophobicContact CG2-CB 4.45Å; V129-Q151 HydrophobicContact CG2-CG 4.37Å |
| 130 | G | 95.2 | Very high | 94.2 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 147.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G102 S132 | G102-G130 CarbonylContact O-C 3.6Å; G102-G130 WeakPolarHBondContact O-CA 3.37Å; G130-S132 PolarHBondContact O-N 3.12Å |
| 131 | I | 96.1 | Very high | 94 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 14% | 0.138 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 126.8 | 170.9 | -58.2 | 165.5 | 0 | 0 | 0 | 108.3 | V100 K101 G102 Y133 L134 Q147 Y149 | V100-I131 HydrophobicContact CG1-CD1 4.03Å; K101-I131 WeakPolarHBondContact O-CD1 3.25Å; G102-I131 WeakPolarHBondContact O-CG1 3.44Å; G102-I131 PolarHBondContact O-N 2.83Å; I131-Y133 VanDerWaalsContact CG2-C 3.49Å; I131-Y133 WeakPolarHBondContact CG2-O 3.37Å; I131-L134 HydrophobicContact CG2-CB 4.07Å; I131-Q147 HydrophobicContact CD1-CG 4.39Å; I131-Y149 HydrophobicContact CB-CE1 4.34Å; I131-Y149 HydrophobicContact CG1-CD1 4.42Å; I131-Y149 HydrophobicContact CG1-CE1 3.58Å |
| 132 | S | 95.9 | Very high | 94 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -40.1 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | G130 T148 H150 | G130-S132 PolarHBondContact O-N 3.12Å; S132-T148 WeakPolarHBondContact CA-O 3.37Å; S132-T148 WeakPolarHBondContact CB-O 3.31Å; S132-T148 PolarHBondContact N-O 3.31Å; S132-H150 PolarHBondContact OG-N 2.98Å |
| 133 | Y | 96.7 | Very high | 94.1 | Very high | 122 Ų | 122 | 58.4 Ų | 58.4 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 133.7 | 174.4 | -58.4 | -78.8 | 0 | 0 | 0 | 109.9 | I131 T148 H150 | I131-Y133 VanDerWaalsContact CG2-C 3.49Å; I131-Y133 WeakPolarHBondContact CG2-O 3.37Å; Y133-T148 HydrophobicContact CD2-CG2 4.27Å; Y133-T148 PolarHBondContact N-O 3.15Å; Y133-T148 PolarHBondContact O-N 2.85Å; Y133-H150 AromaticContact CE2-NE2 3.77Å |
| 134 | L | 97.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.3 | 174.6 | 176.1 | 67.9 | 0 | 0 | 0 | 108.1 | S76 V100 I131 I136 I145 R146 Q147 | S76-L134 PolarHBondContact N-O 2.85Å; S76-L134 WeakPolarHBondContact O-CB 3.35Å; V100-L134 HydrophobicContact CB-CD2 4.25Å; V100-L134 HydrophobicContact CG1-CD1 4.09Å; V100-L134 HydrophobicContact CG1-CD2 3.88Å; I131-L134 HydrophobicContact CG2-CB 4.07Å; L134-I136 HydrophobicContact CG-CG1 4.47Å; L134-I145 HydrophobicContact CD1-CG2 3.65Å; L134-R146 WeakPolarHBondContact CA-O 3.23Å; L134-Q147 HydrophobicContact CD1-CG 3.92Å |
| 135 | E | 97.2 | Very high | 94.9 | Very high | 47 Ų | 47 | 54.4 Ų | 54.4 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.8 | 175.4 | -63.5 | 165.8 | 95.1 | 0 | 0 | 110.1 | F73 Q74 R146 | F73-E135 HydrophobicContact CB-CB 4.13Å; F73-E135 HydrophobicContact CD1-CB 3.73Å; F73-E135 HydrophobicContact CG-CB 4.32Å; Q74-E135 CarbonylContact O-C 3.6Å; Q74-E135 VanDerWaalsContact O-CA 3.25Å; Q74-E135 WeakPolarHBondContact O-CA 3.45Å; E135-R146 HydrophobicContact CB-CB 4.37Å; E135-R146 PolarHBondContact N-O 3.03Å; E135-R146 PolarHBondContact O-N 3.39Å; E135-R146 IonicContact OE1-CZ 3.49Å; E135-R146 IonicContact OE1-NH2 2.62Å; E135-R146 PolarHBondContact OE1-NH2 2.93Å; E135-R146 IonicContact OE2-CZ 3.05Å; E135-R146 IonicContact OE2-NE 3.8Å; E135-R146 PolarHBondContact OE2-NE 3.26Å; E135-R146 IonicContact OE2-NH2 3.51Å; E135-R146 PolarHBondContact OE2-NH2 2.99Å |
| 136 | I | 97 | Very high | 95.3 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.1 | -177.3 | -60.5 | 178.6 | 0 | 0 | 0 | 109.5 | Q74 F82 F98 L134 N138 L143 A144 I145 | Q74-I136 PolarHBondContact N-O 2.87Å; Q74-I136 PolarHBondContact O-N 2.93Å; F82-I136 HydrophobicContact CD1-CD1 3.99Å; F82-I136 HydrophobicContact CD2-CD1 4.15Å; F82-I136 HydrophobicContact CE1-CD1 3.64Å; F82-I136 HydrophobicContact CE2-CD1 3.81Å; F82-I136 HydrophobicContact CG-CD1 4.24Å; F82-I136 HydrophobicContact CZ-CD1 3.54Å; F98-I136 HydrophobicContact CE2-CD1 4.41Å; F98-I136 HydrophobicContact CZ-CD1 4.36Å; L134-I136 HydrophobicContact CG-CG1 4.47Å; I136-N138 HydrophobicContact CG2-CB 4.44Å; I136-L143 HydrophobicContact CG2-CD1 3.7Å; I136-A144 CarbonylContact C-O 3.56Å; I136-A144 WeakPolarHBondContact CA-O 3.28Å; I136-I145 HydrophobicContact CG1-CG1 4.42Å; I136-I145 HydrophobicContact CG1-CG2 4.44Å |
| 137 | S | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.3 | 166.4 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | L143 A144 | S137-L143 CarbonylContact O-C 3.57Å; S137-L143 WeakPolarHBondContact O-CA 3.39Å; S137-A144 PolarHBondContact N-O 3.1Å; S137-A144 PolarHBondContact O-N 3.48Å |
| 138 | N | 95.2 | Very high | 96 | Very high | 45 Ų | 45 | 42 Ų | 42 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 107 | -173.1 | 177.4 | 15.6 | 0 | 0 | 0 | 110.1 | N83 K85 I136 L143 | N83-N138 PolarHBondContact O-ND2 2.84Å; K85-N138 WeakPolarHBondContact CD-O 3.47Å; K85-N138 WeakPolarHBondContact CE-O 3.48Å; K85-N138 PolarHBondContact N-OD1 3.44Å; K85-N138 VanDerWaalsContact N-OD1 3.08Å; K85-N138 PolarHBondContact NZ-O 2.94Å; I136-N138 HydrophobicContact CG2-CB 4.44Å; N138-L143 HydrophobicContact CB-CD1 4.05Å |
| 139 | N | 93.2 | Very high | 96.1 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 16% | 0.155 | 18% | 0.184 | C | C | . | . | trans | -120.1 | -176.4 | 176 | 75.1 | 46 | 0 | 0 | 0 | 110.3 | S70 E141 M142 | S70-N139 PolarHBondContact O-ND2 2.92Å; N139-E141 VanDerWaalsContact C-N 3.3Å; N139-E141 PolarHBondContact O-N 2.85Å; N139-E141 WeakPolarHBondContact OD1-CA 3.07Å; N139-E141 WeakPolarHBondContact OD1-CB 3.5Å; N139-E141 PolarHBondContact OD1-N 2.72Å; N139-M142 PolarHBondContact N-O 2.83Å; N139-M142 PolarHBondContact OD1-N 3.1Å; N139-M142 PolarHBondContact OD1-O 3.16Å | ||
| 140 | K | 93.6 | Very high | 96.1 | Very high | 172 Ų | 172 | 39.3 Ų | 39.3 | 75% | 0.748 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -73.7 | -18.8 | -176.6 | -67.1 | -177.3 | 179 | 179.4 | 0 | 114.3 | ||
| 141 | E | 92.5 | Very high | 95.8 | Very high | 130 Ų | 130 | 38 Ų | 38 | 61% | 0.607 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -104.9 | -31.7 | -173.8 | -62.2 | 176 | 178.1 | 0 | 0 | 112.4 | N139 H167 S168 | N139-E141 VanDerWaalsContact C-N 3.3Å; N139-E141 PolarHBondContact O-N 2.85Å; N139-E141 WeakPolarHBondContact OD1-CA 3.07Å; N139-E141 WeakPolarHBondContact OD1-CB 3.5Å; N139-E141 PolarHBondContact OD1-N 2.72Å; E141-H167 WeakPolarHBondContact O-CA 3.27Å; E141-S168 PolarHBondContact O-N 2.96Å; E141-S168 PolarHBondContact O-OG 3.46Å |
| 142 | M | 95.1 | Very high | 94.9 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 143.6 | -170.7 | -170.9 | -160.9 | -78.7 | 0 | 0 | 111.6 | I69 N139 L165 I166 H167 | I69-M142 HydrophobicContact CG1-SD 4.48Å; I69-M142 HydrophobicContact CG2-SD 4.44Å; N139-M142 PolarHBondContact N-O 2.83Å; N139-M142 PolarHBondContact OD1-N 3.1Å; N139-M142 PolarHBondContact OD1-O 3.16Å; M142-L165 HydrophobicContact CE-CD1 4.4Å; M142-L165 HydrophobicContact SD-CB 4.34Å; M142-L165 HydrophobicContact SD-CD1 4.41Å; M142-L165 HydrophobicContact SD-CD2 3.81Å; M142-L165 HydrophobicContact SD-CG 4.41Å; M142-I166 CarbonylContact C-O 3.49Å; M142-I166 WeakPolarHBondContact CA-O 3.48Å; M142-H167 WeakPolarHBondContact CE-CE1 3.32Å |
| 143 | L | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.9 | 165.7 | 167.5 | 66 | 0 | 0 | 0 | 108.1 | P84 F86 F98 I136 S137 N138 I145 L165 I166 | P84-L143 HydrophobicContact CB-CD2 4.34Å; P84-L143 HydrophobicContact CG-CD2 4.07Å; F86-L143 HydrophobicContact CE1-CB 4.12Å; F86-L143 HydrophobicContact CZ-CB 3.82Å; F98-L143 HydrophobicContact CD1-CD2 3.84Å; F98-L143 HydrophobicContact CE1-CD1 4.12Å; F98-L143 HydrophobicContact CE1-CD2 3.32Å; F98-L143 HydrophobicContact CE1-CG 4.36Å; F98-L143 HydrophobicContact CZ-CD1 3.97Å; F98-L143 HydrophobicContact CZ-CD2 3.7Å; F98-L143 HydrophobicContact CZ-CG 4.41Å; I136-L143 HydrophobicContact CG2-CD1 3.7Å; S137-L143 CarbonylContact O-C 3.57Å; S137-L143 WeakPolarHBondContact O-CA 3.39Å; N138-L143 HydrophobicContact CB-CD1 4.05Å; L143-I145 HydrophobicContact CD1-CG1 4.14Å; L143-I145 HydrophobicContact CD2-CD1 4.11Å; L143-I145 HydrophobicContact CD2-CG1 4.5Å; L143-I145 HydrophobicContact CG-CD1 4.23Å; L143-I145 HydrophobicContact CG-CG1 4.09Å; L143-L165 CarbonylContact O-C 3.57Å; L143-L165 WeakPolarHBondContact O-CA 3.14Å; L143-I166 HydrophobicContact CB-CB 4.31Å; L143-I166 HydrophobicContact CD2-CD1 4.13Å; L143-I166 PolarHBondContact N-O 2.69Å; L143-I166 PolarHBondContact O-N 2.86Å |
| 144 | A | 97.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I69 F73 I136 S137 T163 T164 L165 | I69-A144 HydrophobicContact CD1-CB 4.15Å; I69-A144 HydrophobicContact CG2-CB 3.89Å; F73-A144 HydrophobicContact CE1-CB 3.95Å; F73-A144 HydrophobicContact CZ-CB 3.74Å; I136-A144 CarbonylContact C-O 3.56Å; I136-A144 WeakPolarHBondContact CA-O 3.28Å; S137-A144 PolarHBondContact N-O 3.1Å; S137-A144 PolarHBondContact O-N 3.48Å; A144-T163 HydrophobicContact CB-CG2 4.32Å; A144-T164 CarbonylContact C-O 3.59Å; A144-T164 WeakPolarHBondContact CA-O 3.13Å; A144-L165 HydrophobicContact CB-CD2 3.48Å; A144-L165 VanDerWaalsContact CB-CD2 3.48Å |
| 145 | I | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 109 | 179.8 | -57.2 | 166.9 | 0 | 0 | 0 | 107.3 | F98 I106 L134 I136 L143 Q147 T163 T164 | F98-I145 HydrophobicContact CD2-CD1 4.06Å; F98-I145 HydrophobicContact CE2-CD1 3.53Å; F98-I145 HydrophobicContact CE2-CG1 4.33Å; F98-I145 HydrophobicContact CZ-CD1 3.95Å; F98-I145 HydrophobicContact CZ-CG1 4.47Å; I106-I145 HydrophobicContact CD1-CB 4.28Å; I106-I145 HydrophobicContact CD1-CD1 3.82Å; I106-I145 HydrophobicContact CD1-CG2 4.05Å; I106-I145 HydrophobicContact CG1-CD1 4.3Å; I106-I145 HydrophobicContact CG2-CD1 4.05Å; L134-I145 HydrophobicContact CD1-CG2 3.65Å; I136-I145 HydrophobicContact CG1-CG1 4.42Å; I136-I145 HydrophobicContact CG1-CG2 4.44Å; L143-I145 HydrophobicContact CD1-CG1 4.14Å; L143-I145 HydrophobicContact CD2-CD1 4.11Å; L143-I145 HydrophobicContact CD2-CG1 4.5Å; L143-I145 HydrophobicContact CG-CD1 4.23Å; L143-I145 HydrophobicContact CG-CG1 4.09Å; I145-Q147 HydrophobicContact CG2-CG 4.21Å; I145-T163 CarbonylContact O-C 3.53Å; I145-T163 WeakPolarHBondContact O-CA 3.4Å; I145-T164 PolarHBondContact N-O 2.84Å; I145-T164 PolarHBondContact O-N 2.99Å |
| 146 | R | 97.9 | Very high | 90.3 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.1 | 178.2 | -176.9 | 163.7 | 68.3 | -166.4 | 3.5 | 109.8 | F73 L134 E135 V162 | F73-R146 HydrophobicContact CD1-CB 4.4Å; F73-R146 HydrophobicContact CE1-CB 3.86Å; F73-R146 HydrophobicContact CZ-CB 4.42Å; L134-R146 WeakPolarHBondContact CA-O 3.23Å; E135-R146 HydrophobicContact CB-CB 4.37Å; E135-R146 PolarHBondContact N-O 3.03Å; E135-R146 PolarHBondContact O-N 3.39Å; E135-R146 IonicContact OE1-CZ 3.49Å; E135-R146 IonicContact OE1-NH2 2.62Å; E135-R146 PolarHBondContact OE1-NH2 2.93Å; E135-R146 IonicContact OE2-CZ 3.05Å; E135-R146 IonicContact OE2-NE 3.8Å; E135-R146 PolarHBondContact OE2-NE 3.26Å; E135-R146 IonicContact OE2-NH2 3.51Å; E135-R146 PolarHBondContact OE2-NH2 2.99Å; R146-V162 WeakPolarHBondContact CA-O 3.33Å |
| 147 | Q | 98 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.6 | -178.8 | -63.8 | 169.4 | -62.1 | 0 | 0 | 109.1 | G104 I131 L134 I145 Y149 N161 V162 | G104-Q147 VanDerWaalsContact CA-NE2 3.35Å; G104-Q147 PolarHBondContact O-NE2 3.13Å; G104-Q147 VanDerWaalsContact O-NE2 3.08Å; I131-Q147 HydrophobicContact CD1-CG 4.39Å; L134-Q147 HydrophobicContact CD1-CG 3.92Å; I145-Q147 HydrophobicContact CG2-CG 4.21Å; Q147-Y149 HydrophobicContact CB-CE2 3.82Å; Q147-Y149 PolarHBondContact NE2-OH 3.32Å; Q147-N161 WeakPolarHBondContact O-CA 3.31Å; Q147-V162 HydrophobicContact CB-CG1 4.21Å; Q147-V162 PolarHBondContact N-O 3.05Å; Q147-V162 PolarHBondContact O-N 3.27Å |
| 148 | T | 97.6 | Very high | 89.4 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 8% | 0.08 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.5 | 173.2 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | S132 Y133 T159 F160 | S132-T148 WeakPolarHBondContact CA-O 3.37Å; S132-T148 WeakPolarHBondContact CB-O 3.31Å; S132-T148 PolarHBondContact N-O 3.31Å; Y133-T148 HydrophobicContact CD2-CG2 4.27Å; Y133-T148 PolarHBondContact N-O 3.15Å; Y133-T148 PolarHBondContact O-N 2.85Å; T148-T159 HydrophobicContact CG2-CG2 4.41Å; T148-F160 CarbonylContact C-O 3.59Å; T148-F160 WeakPolarHBondContact CA-O 3.37Å |
| 149 | Y | 96.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.6 | 177 | -53.9 | -94.2 | 0 | 0 | 0 | 109.5 | G104 N119 L121 V129 I131 Q147 T159 F160 V162 | G104-Y149 WeakPolarHBondContact CA-OH 3.46Å; N119-Y149 WeakPolarHBondContact O-CE2 3.39Å; N119-Y149 VanDerWaalsContact O-CZ 3.31Å; N119-Y149 PolarHBondContact O-OH 2.78Å; L121-Y149 HydrophobicContact CB-CD1 4.3Å; L121-Y149 HydrophobicContact CB-CG 4.07Å; V129-Y149 WeakPolarHBondContact O-CD1 3.48Å; I131-Y149 HydrophobicContact CB-CE1 4.34Å; I131-Y149 HydrophobicContact CG1-CD1 4.42Å; I131-Y149 HydrophobicContact CG1-CE1 3.58Å; Q147-Y149 HydrophobicContact CB-CE2 3.82Å; Q147-Y149 PolarHBondContact NE2-OH 3.32Å; Y149-T159 VanDerWaalsContact O-CA 3.31Å; Y149-T159 WeakPolarHBondContact O-CA 3.33Å; Y149-F160 HydrophobicContact CD2-CB 4.13Å; Y149-F160 AromaticContact CD2-CD1 3.41Å; Y149-F160 HydrophobicContact CD2-CD1 3.41Å; Y149-F160 VanDerWaalsContact CD2-CD1 3.41Å; Y149-F160 HydrophobicContact CD2-CE1 4.21Å; Y149-F160 HydrophobicContact CD2-CG 4.13Å; Y149-F160 WeakPolarHBondContact CD2-O 3.13Å; Y149-F160 AromaticContact CE2-CD1 3.68Å; Y149-F160 HydrophobicContact CE2-CD1 3.68Å; Y149-F160 HydrophobicContact CE2-CE1 4.02Å; Y149-F160 HydrophobicContact CG-CD1 4.34Å; Y149-F160 PolarHBondContact N-O 3.35Å; Y149-F160 PolarHBondContact O-N 2.9Å; Y149-F160 VanDerWaalsContact O-N 3.07Å; Y149-V162 HydrophobicContact CE2-CG1 4.33Å |
| 150 | H | 93.7 | Very high | 89.6 | Confident | 60 Ų | 60 | 60 Ų | 60 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 112.8 | 170.6 | -63.5 | -60.1 | 0 | 0 | 0 | 110.2 | S132 Y133 R152 L158 T159 | S132-H150 PolarHBondContact OG-N 2.98Å; Y133-H150 AromaticContact CE2-NE2 3.77Å; H150-R152 PolarHBondContact O-N 3.5Å; H150-L158 WeakPolarHBondContact CA-O 3.38Å; H150-T159 PolarHBondContact ND1-OG1 2.91Å |
| 151 | Q | 88.1 | Confident | 89.8 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 97.7 | 172.8 | -171.6 | -176.2 | -18.6 | 0 | 0 | 109.5 | L121 D123 V129 H154 L158 | L121-Q151 HydrophobicContact CD2-CB 4.44Å; D123-Q151 HydrophobicContact CB-CG 4.35Å; D123-Q151 VanDerWaalsContact CB-NE2 3.32Å; V129-Q151 HydrophobicContact CG2-CB 4.45Å; V129-Q151 HydrophobicContact CG2-CG 4.37Å; Q151-H154 HydrophobicContact CG-CB 4.17Å; Q151-L158 HydrophobicContact CB-CB 4.14Å; Q151-L158 PolarHBondContact N-O 3.34Å; Q151-L158 PolarHBondContact O-N 2.88Å |
| 152 | R | 77.2 | Confident | 90.1 | Very high | 199 Ų | 199 | 47.3 Ų | 47.3 | 75% | 0.751 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -20 | -175.8 | -61.5 | -178.1 | -176.2 | 138.6 | 1.1 | 114.1 | H150 H154 | H150-R152 PolarHBondContact O-N 3.5Å; R152-H154 VanDerWaalsContact C-N 3.33Å |
| 153 | T | 75.1 | Confident | 90.2 | Very high | 122 Ų | 122 | 46.3 Ų | 46.3 | 75% | 0.748 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -16.3 | -178.9 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 154 | H | 70.9 | Confident | 90.3 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 12% | 0.116 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -77.3 | 140.3 | 178.8 | -161.3 | 72.3 | 0 | 0 | 0 | 110.6 | D124 Q151 R152 E156 K157 L158 | D124-H154 IonicContact OD1-CE1 2.76Å; D124-H154 PolarHBondContact OD1-CE1 3.45Å; D124-H154 IonicContact OD1-ND1 2.71Å; D124-H154 IonicContact OD2-CE1 3.81Å; D124-H154 PolarHBondContact OD2-CE1 2.9Å; D124-H154 VanDerWaalsContact OD2-CE1 3.24Å; D124-H154 IonicContact OD2-CG 2.73Å; D124-H154 IonicContact OD2-ND1 3.1Å; D124-H154 PolarHBondContact OD2-ND1 2.74Å; Q151-H154 HydrophobicContact CG-CB 4.17Å; R152-H154 VanDerWaalsContact C-N 3.33Å; H154-E156 PolarHBondContact CD2-N 3.04Å; H154-E156 PolarHBondContact O-N 3.5Å; H154-E156 VanDerWaalsContact O-N 3.11Å; H154-K157 PolarHBondContact O-N 3.46Å; H154-K157 VanDerWaalsContact O-N 3.11Å; H154-L158 HydrophobicContact CB-CD1 4.35Å; H154-L158 HydrophobicContact CB-CG 4.03Å; H154-L158 VanDerWaalsContact CD2-CG 3.47Å; H154-L158 WeakPolarHBondContact CD2-CG 3.47Å |
| 155 | P | 71.8 | Confident | 90.3 | Very high | 122 Ų | 122 | 46.5 Ų | 46.5 | 79% | 0.792 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -36.2 | 177.6 | -25.9 | 33.8 | 0 | 0 | 0 | 113 | ||
| 156 | E | 74.1 | Confident | 90.3 | Very high | 139 Ų | 139 | 46.5 Ų | 46.5 | 65% | 0.65 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 11.2 | -176.2 | -53.3 | -171.8 | 159 | 0 | 0 | 115.1 | H154 | H154-E156 PolarHBondContact CD2-N 3.04Å; H154-E156 PolarHBondContact O-N 3.5Å; H154-E156 VanDerWaalsContact O-N 3.11Å |
| 157 | K | 84.3 | Confident | 90.2 | Very high | 160 Ų | 160 | 45.7 Ų | 45.7 | 70% | 0.696 | 23% | 0.226 | S | C | * | . | trans | 43.9 | 78.8 | -177.9 | -65.9 | -178.3 | -178.6 | 176.4 | 0 | 113.3 | H154 | H154-K157 PolarHBondContact O-N 3.46Å; H154-K157 VanDerWaalsContact O-N 3.11Å | ||
| 158 | L | 91.3 | Very high | 90 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 138.9 | -177.9 | -53.1 | 179.9 | 0 | 0 | 0 | 111.6 | H150 Q151 H154 I183 | H150-L158 WeakPolarHBondContact CA-O 3.38Å; Q151-L158 HydrophobicContact CB-CB 4.14Å; Q151-L158 PolarHBondContact N-O 3.34Å; Q151-L158 PolarHBondContact O-N 2.88Å; H154-L158 HydrophobicContact CB-CD1 4.35Å; H154-L158 HydrophobicContact CB-CG 4.03Å; H154-L158 VanDerWaalsContact CD2-CG 3.47Å; H154-L158 WeakPolarHBondContact CD2-CG 3.47Å; L158-I183 HydrophobicContact CB-CG1 4.05Å; L158-I183 HydrophobicContact CD1-CG1 4.04Å; L158-I183 HydrophobicContact CD2-CG1 4.36Å; L158-I183 HydrophobicContact CG-CG1 4.37Å |
| 159 | T | 95.1 | Very high | 89.7 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 17% | 0.172 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.3 | 175.4 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | T148 Y149 H150 Y178 S180 I183 | T148-T159 HydrophobicContact CG2-CG2 4.41Å; Y149-T159 VanDerWaalsContact O-CA 3.31Å; Y149-T159 WeakPolarHBondContact O-CA 3.33Å; H150-T159 PolarHBondContact ND1-OG1 2.91Å; T159-Y178 HydrophobicContact CG2-CD1 3.91Å; T159-Y178 HydrophobicContact CG2-CE1 4.36Å; T159-S180 PolarHBondContact N-OG 2.93Å; T159-S180 PolarHBondContact O-N 3.08Å; T159-S180 PolarHBondContact O-OG 2.84Å; T159-I183 WeakPolarHBondContact O-CD1 3.29Å |
| 160 | F | 97 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.9 | 171.5 | 176.4 | -131.3 | 0 | 0 | 0 | 108.4 | L121 T148 Y149 V162 Y176 Y178 V179 I183 V188 I216 | L121-F160 HydrophobicContact CB-CB 4.46Å; L121-F160 HydrophobicContact CB-CD1 4.16Å; L121-F160 HydrophobicContact CD2-CB 4.18Å; T148-F160 CarbonylContact C-O 3.59Å; T148-F160 WeakPolarHBondContact CA-O 3.37Å; Y149-F160 HydrophobicContact CD2-CB 4.13Å; Y149-F160 AromaticContact CD2-CD1 3.41Å; Y149-F160 HydrophobicContact CD2-CD1 3.41Å; Y149-F160 VanDerWaalsContact CD2-CD1 3.41Å; Y149-F160 HydrophobicContact CD2-CE1 4.21Å; Y149-F160 HydrophobicContact CD2-CG 4.13Å; Y149-F160 WeakPolarHBondContact CD2-O 3.13Å; Y149-F160 AromaticContact CE2-CD1 3.68Å; Y149-F160 HydrophobicContact CE2-CD1 3.68Å; Y149-F160 HydrophobicContact CE2-CE1 4.02Å; Y149-F160 HydrophobicContact CG-CD1 4.34Å; Y149-F160 PolarHBondContact N-O 3.35Å; Y149-F160 PolarHBondContact O-N 2.9Å; Y149-F160 VanDerWaalsContact O-N 3.07Å; F160-V162 HydrophobicContact CD1-CG1 4.37Å; F160-V162 HydrophobicContact CE1-CB 4.27Å; F160-V162 HydrophobicContact CE1-CG1 3.68Å; F160-V162 HydrophobicContact CE2-CB 4.08Å; F160-V162 HydrophobicContact CE2-CG1 4.37Å; F160-V162 HydrophobicContact CZ-CB 3.76Å; F160-V162 HydrophobicContact CZ-CG1 3.68Å; F160-V162 HydrophobicContact CZ-CG2 4.34Å; F160-Y176 AromaticContact CE2-CD1 3.93Å; F160-Y176 HydrophobicContact CE2-CD1 3.93Å; F160-Y176 HydrophobicContact CE2-CE1 4.39Å; F160-Y176 HydrophobicContact CZ-CD1 4.19Å; F160-Y176 HydrophobicContact CZ-CE1 4.28Å; F160-Y178 CarbonylContact C-O 3.53Å; F160-Y178 WeakPolarHBondContact CA-O 3.49Å; F160-V179 HydrophobicContact CD2-CG2 4.06Å; F160-V179 HydrophobicContact CE2-CG2 4.16Å; F160-I183 HydrophobicContact CB-CD1 4.06Å; F160-V188 HydrophobicContact CD1-CG1 4.46Å; F160-V188 HydrophobicContact CD1-CG2 4.41Å; F160-V188 HydrophobicContact CD2-CG2 4.42Å; F160-V188 HydrophobicContact CE1-CG1 3.84Å; F160-V188 HydrophobicContact CE2-CG1 4.03Å; F160-V188 HydrophobicContact CG-CG2 4.35Å; F160-V188 HydrophobicContact CZ-CG1 3.6Å; F160-I216 HydrophobicContact CE2-CG2 4.49Å |
| 161 | N | 97.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119.4 | 178.9 | -178.2 | -2.4 | 0 | 0 | 0 | 109.3 | Q147 H177 Y178 | Q147-N161 WeakPolarHBondContact O-CA 3.31Å; N161-H177 HydrophobicContact CB-CB 4.13Å; N161-H177 PolarHBondContact O-N 2.89Å; N161-Y178 PolarHBondContact N-O 3.36Å; N161-Y178 PolarHBondContact O-N 3.26Å |
| 162 | V | 98.2 | Very high | 90 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 138.6 | -173.8 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | N119 R146 Q147 Y149 F160 F174 Y175 Y176 | N119-V162 HydrophobicContact CB-CG1 3.95Å; N119-V162 HydrophobicContact CB-CG2 4.37Å; R146-V162 WeakPolarHBondContact CA-O 3.33Å; Q147-V162 HydrophobicContact CB-CG1 4.21Å; Q147-V162 PolarHBondContact N-O 3.05Å; Q147-V162 PolarHBondContact O-N 3.27Å; Y149-V162 HydrophobicContact CE2-CG1 4.33Å; F160-V162 HydrophobicContact CD1-CG1 4.37Å; F160-V162 HydrophobicContact CE1-CB 4.27Å; F160-V162 HydrophobicContact CE1-CG1 3.68Å; F160-V162 HydrophobicContact CE2-CB 4.08Å; F160-V162 HydrophobicContact CE2-CG1 4.37Å; F160-V162 HydrophobicContact CZ-CB 3.76Å; F160-V162 HydrophobicContact CZ-CG1 3.68Å; F160-V162 HydrophobicContact CZ-CG2 4.34Å; V162-F174 HydrophobicContact CG2-CB 4.44Å; V162-Y175 WeakPolarHBondContact CA-O 3.32Å; V162-Y176 HydrophobicContact CB-CD1 4.07Å; V162-Y176 HydrophobicContact CG2-CD1 3.61Å; V162-Y176 HydrophobicContact CG2-CE1 3.82Å |
| 163 | T | 98.2 | Very high | 91 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.7 | 169.6 | -63.7 | 0 | 0 | 0 | 0 | 109.5 | I69 F73 A144 I145 L165 F174 Y175 H177 | I69-T163 HydrophobicContact CD1-CG2 4.03Å; F73-T163 HydrophobicContact CZ-CG2 4.47Å; A144-T163 HydrophobicContact CB-CG2 4.32Å; I145-T163 CarbonylContact O-C 3.53Å; I145-T163 WeakPolarHBondContact O-CA 3.4Å; T163-L165 HydrophobicContact CG2-CD2 3.57Å; T163-L165 HydrophobicContact CG2-CG 4.26Å; T163-F174 CarbonylContact O-C 3.6Å; T163-F174 WeakPolarHBondContact O-CA 3.27Å; T163-Y175 PolarHBondContact N-O 3.18Å; T163-Y175 PolarHBondContact O-N 2.79Å; T163-H177 PolarHBondContact OG1-CD2 2.91Å; T163-H177 VanDerWaalsContact OG1-CD2 3.27Å; T163-H177 PolarHBondContact OG1-NE2 2.72Å |
| 164 | T | 98.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.1 | 168.7 | -59.3 | 0 | 0 | 0 | 0 | 109.1 | I106 I117 N119 A144 I145 I166 I172 A173 F174 | I106-T164 HydrophobicContact CD1-CG2 4.19Å; I117-T164 HydrophobicContact CG2-CG2 4.04Å; N119-T164 PolarHBondContact ND2-OG1 2.6Å; A144-T164 CarbonylContact C-O 3.59Å; A144-T164 WeakPolarHBondContact CA-O 3.13Å; I145-T164 PolarHBondContact N-O 2.84Å; I145-T164 PolarHBondContact O-N 2.99Å; T164-I166 HydrophobicContact CG2-CG1 4.22Å; T164-I172 HydrophobicContact CG2-CG2 4.49Å; T164-A173 CarbonylContact C-O 3.55Å; T164-A173 WeakPolarHBondContact CA-O 3.06Å; T164-F174 HydrophobicContact CG2-CD1 4.04Å; T164-F174 HydrophobicContact CG2-CE1 3.91Å |
| 165 | L | 97.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.4 | 174.6 | -52.4 | 177.5 | 0 | 0 | 0 | 108.9 | P67 I69 M142 L143 A144 T163 I172 A173 | P67-L165 HydrophobicContact CB-CD1 3.68Å; P67-L165 HydrophobicContact CG-CD1 4.03Å; I69-L165 HydrophobicContact CD1-CD2 3.77Å; I69-L165 HydrophobicContact CG1-CD2 3.97Å; M142-L165 HydrophobicContact CE-CD1 4.4Å; M142-L165 HydrophobicContact SD-CB 4.34Å; M142-L165 HydrophobicContact SD-CD1 4.41Å; M142-L165 HydrophobicContact SD-CD2 3.81Å; M142-L165 HydrophobicContact SD-CG 4.41Å; L143-L165 CarbonylContact O-C 3.57Å; L143-L165 WeakPolarHBondContact O-CA 3.14Å; A144-L165 HydrophobicContact CB-CD2 3.48Å; A144-L165 VanDerWaalsContact CB-CD2 3.48Å; T163-L165 HydrophobicContact CG2-CD2 3.57Å; T163-L165 HydrophobicContact CG2-CG 4.26Å; L165-I172 CarbonylContact O-C 3.56Å; L165-I172 VanDerWaalsContact O-CA 3.25Å; L165-I172 WeakPolarHBondContact O-CA 3.35Å; L165-A173 HydrophobicContact CB-CB 4.23Å; L165-A173 HydrophobicContact CD1-CB 4.43Å; L165-A173 PolarHBondContact N-O 3.06Å; L165-A173 PolarHBondContact O-N 2.96Å |
| 166 | I | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116.1 | 174.7 | -58 | 174.6 | 0 | 0 | 0 | 106.6 | F86 I88 I117 M142 L143 T164 I172 | F86-I166 HydrophobicContact CE2-CG2 4.3Å; F86-I166 HydrophobicContact CZ-CG2 4.49Å; F86-I166 WeakPolarHBondContact CZ-O 3.43Å; I88-I166 HydrophobicContact CG2-CG2 3.96Å; I117-I166 HydrophobicContact CD1-CD1 3.64Å; I117-I166 HydrophobicContact CD1-CG1 4.24Å; M142-I166 CarbonylContact C-O 3.49Å; M142-I166 WeakPolarHBondContact CA-O 3.48Å; L143-I166 HydrophobicContact CB-CB 4.31Å; L143-I166 HydrophobicContact CD2-CD1 4.13Å; L143-I166 PolarHBondContact N-O 2.69Å; L143-I166 PolarHBondContact O-N 2.86Å; T164-I166 HydrophobicContact CG2-CG1 4.22Å; I166-I172 HydrophobicContact CG1-CG1 4.48Å |
| 167 | H | 95.7 | Very high | 95.8 | Very high | 45 Ų | 45 | 24.9 Ų | 24.9 | 21% | 0.208 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 152.3 | 179.1 | -67.6 | -105.6 | 0 | 0 | 0 | 111.2 | E141 M142 N169 G170 K171 | E141-H167 WeakPolarHBondContact O-CA 3.27Å; M142-H167 WeakPolarHBondContact CE-CE1 3.32Å; H167-N169 WeakPolarHBondContact CB-OD1 3.26Å; H167-N169 PolarHBondContact O-N 2.95Å; H167-N169 VanDerWaalsContact O-N 3.12Å; H167-G170 PolarHBondContact O-N 3.49Å; H167-K171 HydrophobicContact CB-CB 4.13Å; H167-K171 PolarHBondContact CD2-O 2.82Å; H167-K171 PolarHBondContact N-O 3.46Å |
| 168 | S | 93.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 22.9 Ų | 22.9 | 35% | 0.35 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.3 | 177.9 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | E141 | E141-S168 PolarHBondContact O-N 2.96Å; E141-S168 PolarHBondContact O-OG 3.46Å |
| 169 | N | 91.6 | Very high | 96.7 | Very high | 106 Ų | 106 | 23.6 Ų | 23.6 | 57% | 0.567 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.9 | 174.3 | 69.5 | -2.1 | 0 | 0 | 0 | 114 | H167 K171 | H167-N169 WeakPolarHBondContact CB-OD1 3.26Å; H167-N169 PolarHBondContact O-N 2.95Å; H167-N169 VanDerWaalsContact O-N 3.12Å; N169-K171 WeakPolarHBondContact OD1-CB 3.19Å; N169-K171 PolarHBondContact OD1-N 3.47Å |
| 170 | G | 92.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 93.8 | 2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | K89 H167 | K89-G170 VanDerWaalsContact CB-CA 3.5Å; H167-G170 PolarHBondContact O-N 3.49Å |
| 171 | K | 94.9 | Very high | 96.4 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | trans | -67.6 | 132.3 | 167.4 | -178.8 | 171.3 | 179.4 | 165.9 | 0 | 109.4 | H167 N169 E223 Y224 E225 E260 | H167-K171 HydrophobicContact CB-CB 4.13Å; H167-K171 PolarHBondContact CD2-O 2.82Å; H167-K171 PolarHBondContact N-O 3.46Å; N169-K171 WeakPolarHBondContact OD1-CB 3.19Å; N169-K171 PolarHBondContact OD1-N 3.47Å; K171-E223 WeakPolarHBondContact CE-OE1 3.37Å; K171-E223 IonicContact NZ-OE1 2.74Å; K171-E223 PolarHBondContact NZ-OE1 3.27Å; K171-Y224 WeakPolarHBondContact CA-O 3.2Å; K171-E225 HydrophobicContact CD-CG 4.31Å; K171-E225 HydrophobicContact CG-CG 4.08Å; K171-E225 IonicContact NZ-OE1 2.96Å; K171-E260 IonicContact NZ-OE2 2.69Å; K171-E260 PolarHBondContact NZ-OE2 3.23Å | ||
| 172 | I | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.9 | 175.2 | -59.9 | 170.4 | 0 | 0 | 0 | 107.8 | Y90 I117 T164 L165 I166 F174 L192 E223 Y224 | Y90-I172 HydrophobicContact CD2-CD1 3.66Å; Y90-I172 HydrophobicContact CE2-CD1 3.85Å; I117-I172 HydrophobicContact CD1-CD1 4.27Å; I117-I172 HydrophobicContact CD1-CG2 4.47Å; T164-I172 HydrophobicContact CG2-CG2 4.49Å; L165-I172 CarbonylContact O-C 3.56Å; L165-I172 VanDerWaalsContact O-CA 3.25Å; L165-I172 WeakPolarHBondContact O-CA 3.35Å; I166-I172 HydrophobicContact CG1-CG1 4.48Å; I172-F174 HydrophobicContact CG2-CE1 3.88Å; I172-L192 HydrophobicContact CD1-CD1 4.2Å; I172-L192 HydrophobicContact CD1-CD2 4.31Å; I172-L192 HydrophobicContact CG2-CD2 4.17Å; I172-E223 CarbonylContact O-C 3.5Å; I172-Y224 HydrophobicContact CG2-CD2 4.5Å; I172-Y224 PolarHBondContact N-O 3.26Å; I172-Y224 PolarHBondContact O-N 2.91Å |
| 173 | A | 97.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T164 L165 L221 V222 E223 | T164-A173 CarbonylContact C-O 3.55Å; T164-A173 WeakPolarHBondContact CA-O 3.06Å; L165-A173 HydrophobicContact CB-CB 4.23Å; L165-A173 HydrophobicContact CD1-CB 4.43Å; L165-A173 PolarHBondContact N-O 3.06Å; L165-A173 PolarHBondContact O-N 2.96Å; A173-L221 HydrophobicContact CB-CD1 4.17Å; A173-V222 CarbonylContact C-O 3.37Å; A173-V222 WeakPolarHBondContact CA-O 3.37Å; A173-V222 WeakPolarHBondContact CB-O 3.38Å; A173-E223 HydrophobicContact CB-CG 3.85Å |
| 174 | F | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.3 | 169.2 | -49.5 | -30 | 0 | 0 | 0 | 109 | I117 N119 V162 T163 T164 I172 Y176 L192 V211 L221 V222 Y224 | I117-F174 HydrophobicContact CG2-CE1 3.51Å; I117-F174 HydrophobicContact CG2-CZ 3.65Å; N119-F174 WeakPolarHBondContact ND2-CD1 3.5Å; N119-F174 VanDerWaalsContact ND2-CE1 3.28Å; N119-F174 WeakPolarHBondContact ND2-CE1 3.4Å; V162-F174 HydrophobicContact CG2-CB 4.44Å; T163-F174 CarbonylContact O-C 3.6Å; T163-F174 WeakPolarHBondContact O-CA 3.27Å; T164-F174 HydrophobicContact CG2-CD1 4.04Å; T164-F174 HydrophobicContact CG2-CE1 3.91Å; I172-F174 HydrophobicContact CG2-CE1 3.88Å; F174-Y176 HydrophobicContact CB-CE1 4.1Å; F174-L192 HydrophobicContact CE1-CD2 4.33Å; F174-L192 HydrophobicContact CZ-CD2 3.71Å; F174-V211 HydrophobicContact CD2-CG2 4.3Å; F174-V211 HydrophobicContact CE2-CG2 4.45Å; F174-L221 CarbonylContact O-C 3.56Å; F174-L221 WeakPolarHBondContact O-CA 3.5Å; F174-V222 HydrophobicContact CB-CB 4.24Å; F174-V222 HydrophobicContact CD2-CB 4.36Å; F174-V222 HydrophobicContact CD2-CG1 4.47Å; F174-V222 PolarHBondContact N-O 3.44Å; F174-V222 PolarHBondContact O-N 3.21Å; F174-Y224 AromaticContact CD2-CE2 3.92Å; F174-Y224 HydrophobicContact CD2-CE2 3.92Å; F174-Y224 HydrophobicContact CE1-CE2 4.47Å; F174-Y224 HydrophobicContact CE2-CD2 4.48Å; F174-Y224 AromaticContact CE2-CE2 3.46Å; F174-Y224 HydrophobicContact CE2-CE2 3.46Å; F174-Y224 VanDerWaalsContact CE2-CE2 3.46Å; F174-Y224 HydrophobicContact CZ-CD2 4.44Å; F174-Y224 AromaticContact CZ-CE2 3.77Å; F174-Y224 HydrophobicContact CZ-CE2 3.77Å |
| 175 | Y | 98.5 | Very high | 94.6 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.2 | 169.6 | -174.7 | -100.3 | 0 | 0 | 0 | 109.9 | Q64 P65 V66 P67 V162 T163 H177 L221 | Q64-Y175 HydrophobicContact CB-CE2 4.37Å; Q64-Y175 WeakPolarHBondContact O-CE2 3.43Å; Q64-Y175 PolarHBondContact O-OH 3.41Å; P65-Y175 WeakPolarHBondContact O-CE2 3.14Å; V66-Y175 HydrophobicContact CB-CE1 4.16Å; V66-Y175 HydrophobicContact CG1-CD1 4.45Å; V66-Y175 HydrophobicContact CG1-CE1 4.23Å; V66-Y175 HydrophobicContact CG2-CE1 3.74Å; V66-Y175 PolarHBondContact N-OH 3.02Å; P67-Y175 VanDerWaalsContact CD-CD2 3.46Å; P67-Y175 VanDerWaalsContact CD-CG 3.44Å; P67-Y175 HydrophobicContact CG-CD2 4.03Å; P67-Y175 HydrophobicContact CG-CG 4.07Å; V162-Y175 WeakPolarHBondContact CA-O 3.32Å; T163-Y175 PolarHBondContact N-O 3.18Å; T163-Y175 PolarHBondContact O-N 2.79Å; Y175-H177 AromaticContact CD1-CD2 3.73Å; Y175-H177 AromaticContact CD1-CE1 3.7Å; Y175-H177 AromaticContact CD1-CG 3.8Å; Y175-H177 AromaticContact CD1-ND1 3.78Å; Y175-H177 AromaticContact CD1-NE2 3.67Å; Y175-H177 AromaticContact CE1-CE1 3.91Å; Y175-H177 AromaticContact CE1-CG 3.94Å; Y175-H177 AromaticContact CE1-ND1 3.67Å; Y175-H177 PolarHBondContact O-N 3.06Å; Y175-L221 HydrophobicContact CD2-CB 4.33Å; Y175-L221 HydrophobicContact CD2-CD1 4.34Å |
| 176 | Y | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 96.8 | 177.2 | -54.7 | -40.5 | 0 | 0 | 0 | 109.3 | F160 V162 F174 V179 S190 V211 I216 Q217 S218 G219 T220 V222 | F160-Y176 AromaticContact CE2-CD1 3.93Å; F160-Y176 HydrophobicContact CE2-CD1 3.93Å; F160-Y176 HydrophobicContact CE2-CE1 4.39Å; F160-Y176 HydrophobicContact CZ-CD1 4.19Å; F160-Y176 HydrophobicContact CZ-CE1 4.28Å; V162-Y176 HydrophobicContact CB-CD1 4.07Å; V162-Y176 HydrophobicContact CG2-CD1 3.61Å; V162-Y176 HydrophobicContact CG2-CE1 3.82Å; F174-Y176 HydrophobicContact CB-CE1 4.1Å; Y176-V179 HydrophobicContact CG-CG2 4.41Å; Y176-S190 WeakPolarHBondContact OH-CB 3.23Å; Y176-S190 PolarHBondContact OH-OG 2.87Å; Y176-V211 HydrophobicContact CE2-CG1 4.47Å; Y176-I216 HydrophobicContact CD2-CG2 4.18Å; Y176-I216 HydrophobicContact CE2-CB 4.14Å; Y176-I216 HydrophobicContact CE2-CG1 4.05Å; Y176-I216 HydrophobicContact CE2-CG2 4.03Å; Y176-Q217 WeakPolarHBondContact CB-O 3.41Å; Y176-S218 CarbonylContact O-C 3.47Å; Y176-S218 WeakPolarHBondContact O-CA 3.48Å; Y176-G219 PolarHBondContact O-N 3.25Å; Y176-T220 HydrophobicContact CD2-CG2 4.29Å; Y176-T220 HydrophobicContact CE2-CG2 4.29Å; Y176-T220 PolarHBondContact N-O 3.49Å; Y176-V222 HydrophobicContact CE2-CG2 4.11Å |
| 177 | H | 97.8 | Very high | 94 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | -45.1 | 177.6 | -73.5 | -89.1 | 0 | 0 | 0 | 111.6 | N161 T163 Y175 | N161-H177 HydrophobicContact CB-CB 4.13Å; N161-H177 PolarHBondContact O-N 2.89Å; T163-H177 PolarHBondContact OG1-CD2 2.91Å; T163-H177 VanDerWaalsContact OG1-CD2 3.27Å; T163-H177 PolarHBondContact OG1-NE2 2.72Å; Y175-H177 AromaticContact CD1-CD2 3.73Å; Y175-H177 AromaticContact CD1-CE1 3.7Å; Y175-H177 AromaticContact CD1-CG 3.8Å; Y175-H177 AromaticContact CD1-ND1 3.78Å; Y175-H177 AromaticContact CD1-NE2 3.67Å; Y175-H177 AromaticContact CE1-CE1 3.91Å; Y175-H177 AromaticContact CE1-CG 3.94Å; Y175-H177 AromaticContact CE1-ND1 3.67Å; Y175-H177 PolarHBondContact O-N 3.06Å |
| 178 | Y | 96.9 | Very high | 93.9 | Very high | 118 Ų | 118 | 43.9 Ų | 43.9 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 128.2 | -178.5 | -172.9 | -101.1 | 0 | 0 | 0 | 111.3 | T159 F160 N161 S180 S218 | T159-Y178 HydrophobicContact CG2-CD1 3.91Å; T159-Y178 HydrophobicContact CG2-CE1 4.36Å; F160-Y178 CarbonylContact C-O 3.53Å; F160-Y178 WeakPolarHBondContact CA-O 3.49Å; N161-Y178 PolarHBondContact N-O 3.36Å; N161-Y178 PolarHBondContact O-N 3.26Å; Y178-S180 WeakPolarHBondContact CE1-OG 3.23Å; Y178-S218 WeakPolarHBondContact CA-OG 2.92Å |
| 179 | V | 96.1 | Very high | 94 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 113.1 | 171.7 | -171.2 | 0 | 0 | 0 | 0 | 107.2 | F160 Y176 K181 I183 I216 S218 | F160-V179 HydrophobicContact CD2-CG2 4.06Å; F160-V179 HydrophobicContact CE2-CG2 4.16Å; Y176-V179 HydrophobicContact CG-CG2 4.41Å; V179-K181 PolarHBondContact O-N 2.9Å; V179-I183 HydrophobicContact CG1-CB 4.34Å; V179-I183 HydrophobicContact CG1-CD1 3.91Å; V179-I183 HydrophobicContact CG1-CG2 4.44Å; V179-I216 HydrophobicContact CG2-CG2 4.36Å; V179-S218 PolarHBondContact N-OG 2.69Å |
| 180 | S | 95.2 | Very high | 94.3 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 8% | 0.077 | 20% | 0.196 | C | C | . | . | trans | -57 | 137 | 176.2 | -77 | 0 | 0 | 0 | 0 | 111.5 | T159 Y178 G182 I183 | T159-S180 PolarHBondContact N-OG 2.93Å; T159-S180 PolarHBondContact O-N 3.08Å; T159-S180 PolarHBondContact O-OG 2.84Å; Y178-S180 WeakPolarHBondContact CE1-OG 3.23Å; S180-G182 PolarHBondContact O-N 3.19Å; S180-G182 VanDerWaalsContact O-N 3.13Å; S180-I183 WeakPolarHBondContact O-CB 3.31Å; S180-I183 PolarHBondContact O-N 2.9Å | ||
| 181 | K | 91.4 | Very high | 94.5 | Very high | 217 Ų | 217 | 39.4 Ų | 39.4 | 94% | 0.943 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.3 | 179.5 | -67.5 | -174.6 | 177.9 | -177.8 | 0 | 114.5 | V179 I183 | V179-K181 PolarHBondContact O-N 2.9Å; K181-I183 VanDerWaalsContact C-N 3.29Å |
| 182 | G | 89.3 | Confident | 94.6 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 22% | 0.216 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S180 K184 | S180-G182 PolarHBondContact O-N 3.19Å; S180-G182 VanDerWaalsContact O-N 3.13Å; G182-K184 PolarHBondContact O-N 3.1Å |
| 183 | I | 91.1 | Very high | 94.6 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | trans | -69.9 | 122.4 | 176.3 | -69.4 | 173.7 | 0 | 0 | 0 | 109.2 | L121 L158 T159 F160 V179 S180 K181 Q187 V188 | L121-I183 HydrophobicContact CD1-CD1 4.11Å; L121-I183 HydrophobicContact CD1-CG1 4.32Å; L121-I183 HydrophobicContact CD1-CG2 4.34Å; L158-I183 HydrophobicContact CB-CG1 4.05Å; L158-I183 HydrophobicContact CD1-CG1 4.04Å; L158-I183 HydrophobicContact CD2-CG1 4.36Å; L158-I183 HydrophobicContact CG-CG1 4.37Å; T159-I183 WeakPolarHBondContact O-CD1 3.29Å; F160-I183 HydrophobicContact CB-CD1 4.06Å; V179-I183 HydrophobicContact CG1-CB 4.34Å; V179-I183 HydrophobicContact CG1-CD1 3.91Å; V179-I183 HydrophobicContact CG1-CG2 4.44Å; S180-I183 WeakPolarHBondContact O-CB 3.31Å; S180-I183 PolarHBondContact O-N 2.9Å; K181-I183 VanDerWaalsContact C-N 3.29Å; I183-Q187 HydrophobicContact CG2-CB 4.15Å; I183-V188 HydrophobicContact CD1-CG2 4.49Å; I183-V188 HydrophobicContact CG2-CG2 3.55Å | ||
| 184 | K | 89.5 | Confident | 94.4 | Very high | 119 Ų | 119 | 39.4 Ų | 39.4 | 52% | 0.517 | 20% | 0.195 | S | C | . | . | trans | -78.8 | 150.2 | 174.5 | -63 | 170.4 | -175.6 | 158.5 | 0 | 110.2 | D124 G182 N186 Q187 | D124-K184 IonicContact OD1-NZ 2.99Å; G182-K184 PolarHBondContact O-N 3.1Å; K184-N186 WeakPolarHBondContact CB-OD1 3.33Å; K184-N186 PolarHBondContact O-N 2.75Å; K184-N186 VanDerWaalsContact O-N 3.08Å; K184-Q187 HydrophobicContact CB-CG 4.19Å; K184-Q187 WeakPolarHBondContact O-CB 3.48Å; K184-Q187 PolarHBondContact O-N 3.15Å | ||
| 185 | G | 84.9 | Confident | 94.1 | Very high | 33 Ų | 33 | 41.5 Ų | 41.5 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E213 | G185-E213 VanDerWaalsContact CA-OE2 3.28Å; G185-E213 WeakPolarHBondContact CA-OE2 3.45Å |
| 186 | N | 88.4 | Confident | 93.6 | Very high | 97 Ų | 97 | 41 Ų | 41 | 52% | 0.519 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -6.5 | 177.4 | 68.7 | -19.4 | 0 | 0 | 0 | 114.8 | K184 | K184-N186 WeakPolarHBondContact CB-OD1 3.33Å; K184-N186 PolarHBondContact O-N 2.75Å; K184-N186 VanDerWaalsContact O-N 3.08Å |
| 187 | Q | 93.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -27.2 | -179.6 | -73.5 | 178.8 | -45.3 | 0 | 0 | 112.5 | L121 K122 D123 D124 I183 K184 | L121-Q187 CarbonylContact C-O 3.5Å; L121-Q187 WeakPolarHBondContact CA-O 3.28Å; L121-Q187 HydrophobicContact CD1-CB 4.15Å; K122-Q187 PolarHBondContact N-O 3.34Å; K122-Q187 WeakPolarHBondContact O-CB 3.28Å; K122-Q187 WeakPolarHBondContact O-CG 3.45Å; D123-Q187 VanDerWaalsContact C-NE2 3.31Å; D123-Q187 PolarHBondContact O-NE2 3.45Å; D124-Q187 PolarHBondContact OD1-NE2 3.33Å; D124-Q187 VanDerWaalsContact OD1-NE2 3.07Å; I183-Q187 HydrophobicContact CG2-CB 4.15Å; K184-Q187 HydrophobicContact CB-CG 4.19Å; K184-Q187 WeakPolarHBondContact O-CB 3.48Å; K184-Q187 PolarHBondContact O-N 3.15Å |
| 188 | V | 95.1 | Very high | 92.5 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.1 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | F120 L121 F160 I183 I216 | F120-V188 WeakPolarHBondContact O-CA 3.23Å; L121-V188 HydrophobicContact CD1-CG2 3.69Å; F160-V188 HydrophobicContact CD1-CG1 4.46Å; F160-V188 HydrophobicContact CD1-CG2 4.41Å; F160-V188 HydrophobicContact CD2-CG2 4.42Å; F160-V188 HydrophobicContact CE1-CG1 3.84Å; F160-V188 HydrophobicContact CE2-CG1 4.03Å; F160-V188 HydrophobicContact CG-CG2 4.35Å; F160-V188 HydrophobicContact CZ-CG1 3.6Å; I183-V188 HydrophobicContact CD1-CG2 4.49Å; I183-V188 HydrophobicContact CG2-CG2 3.55Å; V188-I216 HydrophobicContact CB-CD1 4.35Å; V188-I216 HydrophobicContact CB-CG2 4.17Å; V188-I216 HydrophobicContact CG1-CD1 3.98Å; V188-I216 HydrophobicContact CG1-CG2 3.77Å |
| 189 | K | 95.3 | Very high | 91.7 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.8 | 168.1 | -168.6 | 177.4 | 180 | 178.2 | 0 | 109.4 | N119 F120 E208 | N119-K189 WeakPolarHBondContact CA-O 3.33Å; F120-K189 HydrophobicContact CD1-CB 4.31Å; F120-K189 HydrophobicContact CD2-CB 4.24Å; F120-K189 HydrophobicContact CE1-CB 3.68Å; F120-K189 HydrophobicContact CE1-CD 3.91Å; F120-K189 HydrophobicContact CE1-CG 4.15Å; F120-K189 HydrophobicContact CE2-CB 3.55Å; F120-K189 HydrophobicContact CZ-CB 3.26Å; F120-K189 HydrophobicContact CZ-CD 3.63Å; F120-K189 HydrophobicContact CZ-CG 3.96Å; F120-K189 PolarHBondContact N-O 2.92Å; F120-K189 VanDerWaalsContact N-O 3.15Å; F120-K189 PolarHBondContact O-N 3.1Å; F120-K189 VanDerWaalsContact O-N 3.17Å; K189-E208 WeakPolarHBondContact CE-OE1 3Å; K189-E208 IonicContact NZ-OE1 2.69Å; K189-E208 PolarHBondContact NZ-OE1 2.82Å |
| 190 | S | 97.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.3 | 173.4 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | N118 N119 Y176 V211 | N118-S190 VanDerWaalsContact O-CA 3.23Å; N118-S190 WeakPolarHBondContact O-CA 3.22Å; N119-S190 VanDerWaalsContact OD1-CB 3.26Å; N119-S190 WeakPolarHBondContact OD1-CB 3.13Å; N119-S190 PolarHBondContact OD1-OG 3.07Å; Y176-S190 WeakPolarHBondContact OH-CB 3.23Å; Y176-S190 PolarHBondContact OH-OG 2.87Å; S190-V211 PolarHBondContact O-N 2.78Å |
| 191 | G | 97.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N118 T209 | N118-G191 PolarHBondContact N-O 3.04Å; N118-G191 PolarHBondContact O-N 2.81Å; N118-G191 VanDerWaalsContact O-N 3.09Å; G191-T209 VanDerWaalsContact CA-O 3.27Å; G191-T209 WeakPolarHBondContact CA-O 2.99Å |
| 192 | L | 97.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.8 | -180 | -50 | -179.8 | 0 | 0 | 0 | 109.6 | Y56 Y90 Y91 I117 I172 F174 E208 T209 Y224 | Y56-L192 HydrophobicContact CD1-CD1 4.27Å; Y56-L192 HydrophobicContact CD2-CD1 4.08Å; Y56-L192 HydrophobicContact CE1-CD1 4.16Å; Y56-L192 HydrophobicContact CE2-CD1 3.95Å; Y56-L192 HydrophobicContact CG-CD1 4.21Å; Y90-L192 HydrophobicContact CE2-CB 4.45Å; Y90-L192 HydrophobicContact CE2-CD2 4.29Å; Y91-L192 HydrophobicContact CE2-CB 4.35Å; Y91-L192 PolarHBondContact OH-O 2.94Å; I117-L192 HydrophobicContact CB-CD2 4.31Å; I117-L192 HydrophobicContact CG1-CD2 3.92Å; I117-L192 HydrophobicContact CG2-CD2 3.96Å; I172-L192 HydrophobicContact CD1-CD1 4.2Å; I172-L192 HydrophobicContact CD1-CD2 4.31Å; I172-L192 HydrophobicContact CG2-CD2 4.17Å; F174-L192 HydrophobicContact CE1-CD2 4.33Å; F174-L192 HydrophobicContact CZ-CD2 3.71Å; L192-E208 CarbonylContact O-C 3.46Å; L192-E208 WeakPolarHBondContact O-CA 3.29Å; L192-T209 HydrophobicContact CB-CG2 4.14Å; L192-T209 WeakPolarHBondContact CB-OG1 3.13Å; L192-T209 WeakPolarHBondContact CG-OG1 3.39Å; L192-T209 PolarHBondContact N-O 2.03Å; L192-T209 PolarHBondContact N-OG1 3.4Å; L192-T209 PolarHBondContact O-N 3.19Å; L192-Y224 HydrophobicContact CD1-CD1 3.76Å; L192-Y224 HydrophobicContact CD1-CD2 3.95Å; L192-Y224 HydrophobicContact CD1-CE1 4.23Å; L192-Y224 HydrophobicContact CD1-CE2 4.41Å; L192-Y224 HydrophobicContact CD1-CG 3.58Å; L192-Y224 HydrophobicContact CD2-CD2 4.46Å; L192-Y224 HydrophobicContact CD2-CE2 4.46Å; L192-Y224 HydrophobicContact CG-CD1 4.3Å; L192-Y224 HydrophobicContact CG-CD2 4.23Å; L192-Y224 HydrophobicContact CG-CE1 4.27Å; L192-Y224 HydrophobicContact CG-CE2 4.21Å; L192-Y224 HydrophobicContact CG-CG 4.25Å |
| 193 | N | 96.2 | Very high | 87.9 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.8 | 170.8 | -66.5 | -11.5 | 0 | 0 | 0 | 109.1 | Y90 G115 V116 N118 M206 A207 E208 | Y90-N193 WeakPolarHBondContact CE1-O 3.37Å; Y90-N193 VanDerWaalsContact OH-C 3.31Å; Y90-N193 PolarHBondContact OH-N 3.42Å; Y90-N193 VanDerWaalsContact OH-N 3.13Å; Y90-N193 PolarHBondContact OH-O 2.97Å; G115-N193 CarbonylContact C-O 3.4Å; G115-N193 WeakPolarHBondContact CA-O 3.32Å; V116-N193 HydrophobicContact CB-CB 4.43Å; V116-N193 PolarHBondContact N-O 3.26Å; V116-N193 PolarHBondContact O-N 3.47Å; N118-N193 PolarHBondContact ND2-ND2 3.4Å; N118-N193 VanDerWaalsContact ND2-ND2 3.1Å; N193-M206 HydrophobicContact CB-CE 3.8Å; N193-M206 WeakPolarHBondContact ND2-CE 3.43Å; N193-A207 CarbonylContact C-O 3.52Å; N193-A207 WeakPolarHBondContact CA-O 3.15Å; N193-E208 VanDerWaalsContact OD1-CG 3.31Å; N193-E208 WeakPolarHBondContact OD1-CG 3.48Å |
| 194 | G | 94.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y91 M206 A207 | Y91-G194 VanDerWaalsContact CE2-N 3.31Å; G194-M206 VanDerWaalsContact O-CA 3.32Å; G194-M206 WeakPolarHBondContact O-CA 3.3Å; G194-A207 PolarHBondContact N-O 3.34Å; G194-A207 PolarHBondContact O-N 2.85Å |
| 195 | V | 91.8 | Very high | 87.8 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.5 | 171.2 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | E114 N204 | E114-V195 WeakPolarHBondContact O-CB 3.38Å; E114-V195 PolarHBondContact O-N 3.07Å; V195-N204 HydrophobicContact CG1-CB 3.68Å |
| 196 | I | 88.9 | Confident | 88.1 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.3 | 178.7 | -50 | -59.1 | 0 | 0 | 0 | 108.7 | H27 I29 Y54 F55 Y91 C198 N204 K205 | H27-I196 HydrophobicContact CB-CG2 3.64Å; H27-I196 VanDerWaalsContact CD2-CG2 3.49Å; H27-I196 WeakPolarHBondContact CD2-CG2 3.37Å; H27-I196 VanDerWaalsContact CG-CG2 3.46Å; I29-I196 HydrophobicContact CG2-CB 3.98Å; I29-I196 HydrophobicContact CG2-CG1 4.23Å; I29-I196 HydrophobicContact CG2-CG2 3.65Å; Y54-I196 HydrophobicContact CE1-CG1 4.45Å; F55-I196 HydrophobicContact CE2-CD1 4.45Å; Y91-I196 HydrophobicContact CD1-CD1 4.1Å; Y91-I196 HydrophobicContact CG-CD1 4.33Å; I196-C198 PolarHBondContact O-N 2.86Å; I196-N204 CarbonylContact O-C 3.51Å; I196-N204 WeakPolarHBondContact O-CA 3.32Å; I196-K205 PolarHBondContact N-O 3.1Å; I196-K205 PolarHBondContact O-N 2.88Å |
| 197 | K | 86.4 | Confident | 88.3 | Confident | 92 Ų | 92 | 49 Ų | 49 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.1 | 179.6 | -68.6 | 176.5 | 174 | 174.9 | 0 | 109.4 | E112 E114 | E112-K197 IonicContact OE2-NZ 3.36Å; E114-K197 IonicContact OE1-NZ 3.15Å; E114-K197 PolarHBondContact OE1-NZ 3.02Å; E114-K197 VanDerWaalsContact OE2-CE 3.26Å; E114-K197 WeakPolarHBondContact OE2-CE 3.28Å; E114-K197 IonicContact OE2-NZ 3.73Å; E114-K197 PolarHBondContact OE2-NZ 2.77Å |
| 198 | C | 86.4 | Confident | 88.4 | Confident | 18 Ų | 18 | 51 Ų | 51 | 12% | 0.122 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 144 | 174 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | C30 I196 E202 G203 K205 | C30-C198 WeakPolarHBondContact CA-SG 3.23Å; C30-C198 HydrophobicContact CB-CB 3.64Å; C30-C198 WeakPolarHBondContact CB-SG 3.34Å; C30-C198 WeakPolarHBondContact SG-CA 3.48Å; C30-C198 WeakPolarHBondContact SG-CB 3.45Å; C30-C198 CovalentContact SG-SG 2.03Å; C30-C198 PolarHBondContact SG-SG 2.04Å; I196-C198 PolarHBondContact O-N 2.86Å; C198-E202 HydrophobicContact CB-CB 3.9Å; C198-G203 WeakPolarHBondContact CB-O 3.05Å; C198-K205 VanDerWaalsContact SG-CG 3.51Å |
| 199 | E | 80.3 | Confident | 88.5 | Confident | 82 Ų | 82 | 50.4 Ų | 50.4 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -75.8 | 173.5 | 176.7 | -60.7 | -173.6 | 156.8 | 0 | 0 | 110.9 | N201 E202 | E199-N201 PolarHBondContact O-N 3.01Å; E199-E202 PolarHBondContact O-N 3.06Å |
| 200 | N | 73.4 | Confident | 88.5 | Confident | 136 Ų | 136 | 52.4 Ų | 52.4 | 73% | 0.727 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 38.6 | 169.2 | -53.1 | -30.7 | 0 | 0 | 0 | 117.1 | E202 | N200-E202 PolarHBondContact O-N 3.33Š|
| 201 | N | 65.1 | Low | 88.5 | Confident | 174 Ų | 174 | 52.5 Ų | 52.5 | 93% | 0.93 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 15.8 | 177.5 | -55.1 | -37.8 | 0 | 0 | 0 | 115 | E199 G203 | E199-N201 PolarHBondContact O-N 3.01Å; N201-G203 PolarHBondContact O-N 2.92Å; N201-G203 VanDerWaalsContact O-N 3.15Å |
| 202 | E | 71.9 | Confident | 88.4 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 40% | 0.397 | 29% | 0.291 | S | S | . | . | trans | -72.2 | -3.9 | 177 | -66.7 | -179.4 | 178.4 | 0 | 0 | 113.6 | C30 C198 E199 N200 K205 | C30-E202 WeakPolarHBondContact CB-OE2 3.48Å; C198-E202 HydrophobicContact CB-CB 3.9Å; E199-E202 PolarHBondContact O-N 3.06Å; N200-E202 PolarHBondContact O-N 3.33Å; E202-K205 PolarHBondContact O-NZ 2.9Å | ||
| 203 | G | 82.2 | Confident | 88.2 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | trans | 70.9 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C198 N201 | C198-G203 WeakPolarHBondContact CB-O 3.05Å; N201-G203 PolarHBondContact O-N 2.92Å; N201-G203 VanDerWaalsContact O-N 3.15Å | ||
| 204 | N | 86.9 | Confident | 88.1 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.9 | 173.4 | -62.6 | -15.1 | 0 | 0 | 0 | 109.4 | V195 I196 | V195-N204 HydrophobicContact CG1-CB 3.68Å; I196-N204 CarbonylContact O-C 3.51Å; I196-N204 WeakPolarHBondContact O-CA 3.32Å |
| 205 | K | 89.8 | Confident | 88.2 | Confident | 54 Ų | 54 | 65 Ų | 65 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 155.9 | 167.7 | -56.1 | -54.9 | -175.7 | -154.4 | 0 | 109.4 | I29 I196 C198 E202 | I29-K205 HydrophobicContact CD1-CB 3.88Å; I29-K205 HydrophobicContact CG1-CB 3.94Å; I29-K205 HydrophobicContact CG1-CG 4.36Å; I29-K205 HydrophobicContact CG2-CB 4.25Å; I196-K205 PolarHBondContact N-O 3.1Å; I196-K205 PolarHBondContact O-N 2.88Å; C198-K205 VanDerWaalsContact SG-CG 3.51Å; E202-K205 PolarHBondContact O-NZ 2.9Å |
| 206 | M | 91.6 | Very high | 88.4 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 47% | 0.468 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.2 | 176.6 | -174.3 | 167.1 | 137.3 | 0 | 0 | 109.2 | G36 N193 G194 E208 | G36-M206 WeakPolarHBondContact CA-O 3.39Å; N193-M206 HydrophobicContact CB-CE 3.8Å; N193-M206 WeakPolarHBondContact ND2-CE 3.43Å; G194-M206 VanDerWaalsContact O-CA 3.32Å; G194-M206 WeakPolarHBondContact O-CA 3.3Å; M206-E208 HydrophobicContact CE-CB 4.42Å |
| 207 | A | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | I29 G36 Y54 Y91 N193 G194 | I29-A207 HydrophobicContact CD1-CB 4.22Å; G36-A207 CarbonylContact O-C 3.5Å; G36-A207 WeakPolarHBondContact O-CA 3.47Å; Y54-A207 HydrophobicContact CD1-CB 3.75Å; Y54-A207 HydrophobicContact CG-CB 4.5Å; Y91-A207 HydrophobicContact CD1-CB 4.28Å; Y91-A207 HydrophobicContact CE1-CB 3.5Å; Y91-A207 PolarHBondContact OH-O 2.91Å; Y91-A207 VanDerWaalsContact OH-O 3.1Å; N193-A207 CarbonylContact C-O 3.52Å; N193-A207 WeakPolarHBondContact CA-O 3.15Å; G194-A207 PolarHBondContact N-O 3.34Å; G194-A207 PolarHBondContact O-N 2.85Å |
| 208 | E | 95.3 | Very high | 89.3 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.2 | -178.1 | 175.9 | 165.4 | -171.1 | 0 | 0 | 110.9 | G36 Y53 K189 L192 N193 M206 | G36-E208 PolarHBondContact O-N 3.31Å; Y53-E208 WeakPolarHBondContact CD1-O 3.26Å; K189-E208 WeakPolarHBondContact CE-OE1 3Å; K189-E208 IonicContact NZ-OE1 2.69Å; K189-E208 PolarHBondContact NZ-OE1 2.82Å; L192-E208 CarbonylContact O-C 3.46Å; L192-E208 WeakPolarHBondContact O-CA 3.29Å; N193-E208 VanDerWaalsContact OD1-CG 3.31Å; N193-E208 WeakPolarHBondContact OD1-CG 3.48Å; M206-E208 HydrophobicContact CE-CB 4.42Å |
| 209 | T | 96.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -110.7 | 150.3 | 161.5 | 81.7 | 0 | 0 | 0 | 0 | 108.9 | Y53 Y56 G191 L192 Y224 | Y53-T209 HydrophobicContact CD1-CG2 4.16Å; Y53-T209 HydrophobicContact CD2-CG2 4.17Å; Y53-T209 HydrophobicContact CG-CG2 3.76Å; Y56-T209 HydrophobicContact CD2-CG2 4.42Å; G191-T209 VanDerWaalsContact CA-O 3.27Å; G191-T209 WeakPolarHBondContact CA-O 2.99Å; L192-T209 HydrophobicContact CB-CG2 4.14Å; L192-T209 WeakPolarHBondContact CB-OG1 3.13Å; L192-T209 WeakPolarHBondContact CG-OG1 3.39Å; L192-T209 PolarHBondContact N-O 2.03Å; L192-T209 PolarHBondContact N-OG1 3.4Å; L192-T209 PolarHBondContact O-N 3.19Å; T209-Y224 HydrophobicContact CG2-CD1 4.47Å; T209-Y224 HydrophobicContact CG2-CE1 4.2Å; T209-Y224 WeakPolarHBondContact OG1-CE1 3.49Å; T209-Y224 PolarHBondContact OG1-OH 3.04Å | ||
| 210 | K | 95.4 | Very high | 90.7 | Very high | 107 Ų | 107 | 61.1 Ų | 61.1 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | trans | -134.8 | 140.4 | 179 | -172.4 | 179.3 | 175.9 | -170.8 | 0 | 110.3 | Y53 Q58 | Y53-K210 PolarHBondContact OH-O 3.08Å; Q58-K210 PolarHBondContact NE2-O 2.9Å; Q58-K210 VanDerWaalsContact NE2-O 3.08Å; Q58-K210 PolarHBondContact OE1-O 3.23Å | ||
| 211 | V | 96.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | trans | -88 | 120.1 | 162.7 | -173.8 | 0 | 0 | 0 | 0 | 107.4 | I60 F174 Y176 S190 W215 I216 V222 Y224 | I60-V211 HydrophobicContact CD1-CG1 4.2Å; F174-V211 HydrophobicContact CD2-CG2 4.3Å; F174-V211 HydrophobicContact CE2-CG2 4.45Å; Y176-V211 HydrophobicContact CE2-CG1 4.47Å; S190-V211 PolarHBondContact O-N 2.78Å; V211-W215 HydrophobicContact CG1-CB 4Å; V211-I216 HydrophobicContact CB-CD1 4.33Å; V211-I216 HydrophobicContact CB-CG1 4.28Å; V211-I216 HydrophobicContact CG1-CD1 4.32Å; V211-I216 HydrophobicContact CG1-CG1 3.73Å; V211-V222 HydrophobicContact CG1-CG2 4.05Å; V211-V222 HydrophobicContact CG2-CB 4.47Å; V211-V222 HydrophobicContact CG2-CG1 3.89Å; V211-V222 HydrophobicContact CG2-CG2 4.06Å; V211-Y224 VanDerWaalsContact CG2-OH 3.28Å; V211-Y224 WeakPolarHBondContact CG2-OH 3.15Å | ||
| 212 | H | 95.3 | Very high | 93.4 | Very high | 86 Ų | 86 | 47 Ų | 47 | 40% | 0.398 | 24% | 0.239 | S | C | . | . | trans | -63.4 | 139.9 | 176.6 | -166.9 | -82.7 | 0 | 0 | 0 | 110.1 | K214 W215 | H212-K214 HydrophobicContact CB-CG 4.39Å; H212-K214 WeakPolarHBondContact ND1-CG 3.3Å; H212-K214 PolarHBondContact ND1-N 3.03Å; H212-K214 PolarHBondContact O-N 3.28Å; H212-K214 VanDerWaalsContact O-N 3.1Å; H212-W215 WeakPolarHBondContact O-CB 3.4Å; H212-W215 PolarHBondContact O-N 3.39Å | ||
| 213 | E | 94 | Very high | 94.6 | Very high | 99 Ų | 99 | 43.5 Ų | 43.5 | 46% | 0.463 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -54 | -35.2 | -174 | 56.3 | -175.1 | -162.6 | 0 | 0 | 113.6 | G185 W215 I216 | G185-E213 VanDerWaalsContact CA-OE2 3.28Å; G185-E213 WeakPolarHBondContact CA-OE2 3.45Å; E213-W215 PolarHBondContact O-N 2.81Å; E213-W215 VanDerWaalsContact O-N 3.07Å; E213-I216 PolarHBondContact O-N 3.26Å |
| 214 | K | 94.3 | Very high | 95.3 | Very high | 93 Ų | 93 | 41.7 Ų | 41.7 | 40% | 0.404 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -55.6 | -24.2 | 175.6 | 79.5 | -172 | 178.6 | -176.9 | 0 | 114.3 | E44 E49 H212 | E44-K214 IonicContact OE1-NZ 2.65Å; E44-K214 PolarHBondContact OE1-NZ 3.33Å; E44-K214 IonicContact OE2-NZ 3.34Å; E44-K214 PolarHBondContact OE2-NZ 2.85Å; E49-K214 IonicContact OE2-NZ 3.54Å; H212-K214 HydrophobicContact CB-CG 4.39Å; H212-K214 WeakPolarHBondContact ND1-CG 3.3Å; H212-K214 PolarHBondContact ND1-N 3.03Å; H212-K214 PolarHBondContact O-N 3.28Å; H212-K214 VanDerWaalsContact O-N 3.1Å |
| 215 | W | 96.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -95.5 | -12.2 | -179 | -61.2 | 121.1 | 0 | 0 | 0 | 113.6 | E44 N45 E49 I60 L62 V211 H212 E213 Q217 T220 | E44-W215 HydrophobicContact CG-CH2 4.44Å; E44-W215 HydrophobicContact CG-CZ2 3.95Å; N45-W215 WeakPolarHBondContact O-CH2 3.31Å; E49-W215 HydrophobicContact CB-CH2 4.32Å; E49-W215 HydrophobicContact CB-CZ2 3.62Å; E49-W215 HydrophobicContact CG-CZ2 4.37Å; E49-W215 PolarHBondContact OE2-NE1 2.81Å; I60-W215 HydrophobicContact CD1-CB 4.07Å; I60-W215 VanDerWaalsContact CD1-CD1 3.43Å; I60-W215 HydrophobicContact CD1-CD2 4.38Å; I60-W215 HydrophobicContact CD1-CG 3.73Å; I60-W215 HydrophobicContact CG2-CB 3.81Å; I60-W215 HydrophobicContact CG2-CD2 3.77Å; I60-W215 HydrophobicContact CG2-CE3 3.8Å; I60-W215 HydrophobicContact CG2-CG 3.78Å; L62-W215 HydrophobicContact CD1-CE3 4.18Å; L62-W215 HydrophobicContact CD1-CZ3 3.9Å; L62-W215 HydrophobicContact CD2-CE3 3.8Å; L62-W215 HydrophobicContact CD2-CZ3 4.27Å; L62-W215 HydrophobicContact CG-CE3 3.94Å; L62-W215 HydrophobicContact CG-CZ3 3.87Å; V211-W215 HydrophobicContact CG1-CB 4Å; H212-W215 WeakPolarHBondContact O-CB 3.4Å; H212-W215 PolarHBondContact O-N 3.39Å; E213-W215 PolarHBondContact O-N 2.81Å; E213-W215 VanDerWaalsContact O-N 3.07Å; W215-Q217 PolarHBondContact O-N 3.39Å; W215-T220 WeakPolarHBondContact O-CB 3.41Å; W215-T220 WeakPolarHBondContact O-CG2 3.48Å; W215-T220 PolarHBondContact O-OG1 3.33Å |
| 216 | I | 96.4 | Very high | 95.6 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | trans | -84.2 | 83.4 | -175.8 | -54.7 | -178.4 | 0 | 0 | 0 | 109.1 | F160 Y176 V179 V188 V211 E213 | F160-I216 HydrophobicContact CE2-CG2 4.49Å; Y176-I216 HydrophobicContact CD2-CG2 4.18Å; Y176-I216 HydrophobicContact CE2-CB 4.14Å; Y176-I216 HydrophobicContact CE2-CG1 4.05Å; Y176-I216 HydrophobicContact CE2-CG2 4.03Å; V179-I216 HydrophobicContact CG2-CG2 4.36Å; V188-I216 HydrophobicContact CB-CD1 4.35Å; V188-I216 HydrophobicContact CB-CG2 4.17Å; V188-I216 HydrophobicContact CG1-CD1 3.98Å; V188-I216 HydrophobicContact CG1-CG2 3.77Å; V211-I216 HydrophobicContact CB-CD1 4.33Å; V211-I216 HydrophobicContact CB-CG1 4.28Å; V211-I216 HydrophobicContact CG1-CD1 4.32Å; V211-I216 HydrophobicContact CG1-CG1 3.73Å; E213-I216 PolarHBondContact O-N 3.26Å | ||
| 217 | Q | 96.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 33 Ų | 33 | 39% | 0.393 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -142.1 | 162.6 | 176.6 | 61.8 | -176.2 | -29.3 | 0 | 0 | 111.3 | L62 Y176 W215 G219 T220 | L62-Q217 HydrophobicContact CD2-CG 3.98Å; Y176-Q217 WeakPolarHBondContact CB-O 3.41Å; W215-Q217 PolarHBondContact O-N 3.39Å; Q217-G219 PolarHBondContact O-N 2.92Å; Q217-T220 WeakPolarHBondContact CG-OG1 3.33Å; Q217-T220 WeakPolarHBondContact O-CB 3.21Å; Q217-T220 PolarHBondContact O-N 3.43Å; Q217-T220 PolarHBondContact O-OG1 3.42Å; Q217-T220 VanDerWaalsContact O-OG1 3.05Å |
| 218 | S | 97.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 33% | 0.329 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 134 | 179 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | Y176 Y178 V179 | Y176-S218 CarbonylContact O-C 3.47Å; Y176-S218 WeakPolarHBondContact O-CA 3.48Å; Y178-S218 WeakPolarHBondContact CA-OG 2.92Å; V179-S218 PolarHBondContact N-OG 2.69Å |
| 219 | G | 97.5 | Very high | 94.3 | Very high | 11 Ų | 11 | 38 Ų | 38 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 3.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N63 Q64 Y176 Q217 | N63-G219 PolarHBondContact N-O 3.38Å; Q64-G219 PolarHBondContact N-O 2.89Å; Y176-G219 PolarHBondContact O-N 3.25Å; Q217-G219 PolarHBondContact O-N 2.92Å |
| 220 | T | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -77.2 | 134.1 | 171.8 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | I60 R61 L62 Y176 W215 Q217 V222 | I60-T220 HydrophobicContact CG2-CG2 3.67Å; R61-T220 WeakPolarHBondContact O-CA 3.39Å; L62-T220 HydrophobicContact CD2-CG2 3.94Å; L62-T220 WeakPolarHBondContact CD2-OG1 3.31Å; Y176-T220 HydrophobicContact CD2-CG2 4.29Å; Y176-T220 HydrophobicContact CE2-CG2 4.29Å; Y176-T220 PolarHBondContact N-O 3.49Å; W215-T220 WeakPolarHBondContact O-CB 3.41Å; W215-T220 WeakPolarHBondContact O-CG2 3.48Å; W215-T220 PolarHBondContact O-OG1 3.33Å; Q217-T220 WeakPolarHBondContact CG-OG1 3.33Å; Q217-T220 WeakPolarHBondContact O-CB 3.21Å; Q217-T220 PolarHBondContact O-N 3.43Å; Q217-T220 PolarHBondContact O-OG1 3.42Å; Q217-T220 VanDerWaalsContact O-OG1 3.05Å; T220-V222 HydrophobicContact CG2-CG2 4.07Å | ||
| 221 | L | 98 | Very high | 93.1 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.4 | 165.6 | -178.7 | 61.5 | 0 | 0 | 0 | 109.3 | I60 R61 Q64 P67 A173 F174 Y175 E223 | I60-L221 WeakPolarHBondContact CA-O 3.41Å; R61-L221 PolarHBondContact N-O 3.38Å; R61-L221 PolarHBondContact O-N 3.05Å; Q64-L221 HydrophobicContact CB-CB 3.87Å; Q64-L221 HydrophobicContact CG-CB 3.73Å; Q64-L221 HydrophobicContact CG-CD2 4.41Å; P67-L221 HydrophobicContact CG-CD1 3.94Å; A173-L221 HydrophobicContact CB-CD1 4.17Å; F174-L221 CarbonylContact O-C 3.56Å; F174-L221 WeakPolarHBondContact O-CA 3.5Å; Y175-L221 HydrophobicContact CD2-CB 4.33Å; Y175-L221 HydrophobicContact CD2-CD1 4.34Å; L221-E223 HydrophobicContact CD1-CG 4.27Å; L221-E223 HydrophobicContact CD2-CG 4.26Å; L221-E223 HydrophobicContact CG-CG 3.99Å |
| 222 | V | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.7 | 172.1 | -178 | 0 | 0 | 0 | 0 | 107.8 | Q58 L59 I60 A173 F174 Y176 V211 T220 Y224 | Q58-V222 HydrophobicContact CG-CG1 3.92Å; L59-V222 CarbonylContact O-C 3.58Å; L59-V222 WeakPolarHBondContact O-CA 3.42Å; I60-V222 HydrophobicContact CG1-CG1 4.21Å; I60-V222 HydrophobicContact CG1-CG2 4.22Å; I60-V222 HydrophobicContact CG2-CG2 4.43Å; A173-V222 CarbonylContact C-O 3.37Å; A173-V222 WeakPolarHBondContact CA-O 3.37Å; A173-V222 WeakPolarHBondContact CB-O 3.38Å; F174-V222 HydrophobicContact CB-CB 4.24Å; F174-V222 HydrophobicContact CD2-CB 4.36Å; F174-V222 HydrophobicContact CD2-CG1 4.47Å; F174-V222 PolarHBondContact N-O 3.44Å; F174-V222 PolarHBondContact O-N 3.21Å; Y176-V222 HydrophobicContact CE2-CG2 4.11Å; V211-V222 HydrophobicContact CG1-CG2 4.05Å; V211-V222 HydrophobicContact CG2-CB 4.47Å; V211-V222 HydrophobicContact CG2-CG1 3.89Å; V211-V222 HydrophobicContact CG2-CG2 4.06Å; T220-V222 HydrophobicContact CG2-CG2 4.07Å; V222-Y224 HydrophobicContact CG1-CD2 4.26Å; V222-Y224 HydrophobicContact CG1-CE2 3.56Å |
| 223 | E | 97.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.1 | -179.3 | -72.5 | 163 | 109.7 | 0 | 0 | 110.3 | Q58 L59 R61 K171 I172 A173 L221 | Q58-E223 CarbonylContact C-O 3.54Å; Q58-E223 VanDerWaalsContact CA-O 3.31Å; Q58-E223 WeakPolarHBondContact CA-O 3.26Å; L59-E223 HydrophobicContact CB-CB 4.31Å; L59-E223 PolarHBondContact N-O 3.45Å; L59-E223 PolarHBondContact O-N 2.94Å; R61-E223 IonicContact CZ-OE2 3.49Å; R61-E223 IonicContact NE-OE2 3.86Å; R61-E223 PolarHBondContact NE-OE2 3.46Å; R61-E223 IonicContact NH2-OE1 3.5Å; R61-E223 PolarHBondContact NH2-OE1 3.45Å; R61-E223 IonicContact NH2-OE2 3.24Å; R61-E223 PolarHBondContact NH2-OE2 2.64Å; K171-E223 WeakPolarHBondContact CE-OE1 3.37Å; K171-E223 IonicContact NZ-OE1 2.74Å; K171-E223 PolarHBondContact NZ-OE1 3.27Å; I172-E223 CarbonylContact O-C 3.5Å; A173-E223 HydrophobicContact CB-CG 3.85Å; L221-E223 HydrophobicContact CD1-CG 4.27Å; L221-E223 HydrophobicContact CD2-CG 4.26Å; L221-E223 HydrophobicContact CG-CG 3.99Å |
| 224 | Y | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.6 | 175.6 | -60.6 | -87.5 | 0 | 0 | 0 | 109.9 | S57 Q58 K171 I172 F174 L192 T209 V211 V222 | S57-Y224 VanDerWaalsContact O-CA 3.26Å; S57-Y224 WeakPolarHBondContact O-CA 3.43Å; Q58-Y224 HydrophobicContact CB-CD1 3.97Å; Q58-Y224 HydrophobicContact CB-CE1 3.87Å; Q58-Y224 HydrophobicContact CG-CD1 4.2Å; Q58-Y224 HydrophobicContact CG-CE1 3.76Å; Q58-Y224 PolarHBondContact NE2-OH 2.87Å; K171-Y224 WeakPolarHBondContact CA-O 3.2Å; I172-Y224 HydrophobicContact CG2-CD2 4.5Å; I172-Y224 PolarHBondContact N-O 3.26Å; I172-Y224 PolarHBondContact O-N 2.91Å; F174-Y224 AromaticContact CD2-CE2 3.92Å; F174-Y224 HydrophobicContact CD2-CE2 3.92Å; F174-Y224 HydrophobicContact CE1-CE2 4.47Å; F174-Y224 HydrophobicContact CE2-CD2 4.48Å; F174-Y224 AromaticContact CE2-CE2 3.46Å; F174-Y224 HydrophobicContact CE2-CE2 3.46Å; F174-Y224 VanDerWaalsContact CE2-CE2 3.46Å; F174-Y224 HydrophobicContact CZ-CD2 4.44Å; F174-Y224 AromaticContact CZ-CE2 3.77Å; F174-Y224 HydrophobicContact CZ-CE2 3.77Å; L192-Y224 HydrophobicContact CD1-CD1 3.76Å; L192-Y224 HydrophobicContact CD1-CD2 3.95Å; L192-Y224 HydrophobicContact CD1-CE1 4.23Å; L192-Y224 HydrophobicContact CD1-CE2 4.41Å; L192-Y224 HydrophobicContact CD1-CG 3.58Å; L192-Y224 HydrophobicContact CD2-CD2 4.46Å; L192-Y224 HydrophobicContact CD2-CE2 4.46Å; L192-Y224 HydrophobicContact CG-CD1 4.3Å; L192-Y224 HydrophobicContact CG-CD2 4.23Å; L192-Y224 HydrophobicContact CG-CE1 4.27Å; L192-Y224 HydrophobicContact CG-CE2 4.21Å; L192-Y224 HydrophobicContact CG-CG 4.25Å; T209-Y224 HydrophobicContact CG2-CD1 4.47Å; T209-Y224 HydrophobicContact CG2-CE1 4.2Å; T209-Y224 WeakPolarHBondContact OG1-CE1 3.49Å; T209-Y224 PolarHBondContact OG1-OH 3.04Å; V211-Y224 VanDerWaalsContact CG2-OH 3.28Å; V211-Y224 WeakPolarHBondContact CG2-OH 3.15Å; V222-Y224 HydrophobicContact CG1-CD2 4.26Å; V222-Y224 HydrophobicContact CG1-CE2 3.56Å |
| 225 | E | 93.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 143.3 | 179.1 | -62.5 | 177.1 | 151.7 | 0 | 0 | 109.7 | Y56 S57 K171 L227 N258 | Y56-E225 CarbonylContact C-O 3.52Å; Y56-E225 VanDerWaalsContact CA-O 3.27Å; Y56-E225 WeakPolarHBondContact CA-O 3.34Å; S57-E225 PolarHBondContact N-O 2.77Å; S57-E225 PolarHBondContact O-N 2.91Å; S57-E225 PolarHBondContact OG-O 2.83Å; K171-E225 HydrophobicContact CD-CG 4.31Å; K171-E225 HydrophobicContact CG-CG 4.08Å; K171-E225 IonicContact NZ-OE1 2.96Å; E225-L227 PolarHBondContact O-N 3.45Å; E225-N258 PolarHBondContact OE1-ND2 3.34Å; E225-N258 WeakPolarHBondContact OE2-CB 3.45Å; E225-N258 PolarHBondContact OE2-ND2 3.22Å |
| 226 | L | 91 | Very high | 90.5 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 24% | 0.236 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125.2 | 178.8 | -68.2 | 169.6 | 0 | 0 | 0 | 109.5 | F55 Y56 G228 | F55-L226 CarbonylContact O-C 3.48Å; F55-L226 WeakPolarHBondContact O-CA 3.28Å; Y56-L226 HydrophobicContact CD1-CD2 4.06Å; Y56-L226 HydrophobicContact CE1-CD2 3.53Å; Y56-L226 HydrophobicContact CE1-CG 4.01Å; Y56-L226 HydrophobicContact CE2-CD2 4.26Å; L226-G228 PolarHBondContact O-N 3.32Å |
| 227 | L | 87.8 | Confident | 90.1 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -68.5 | -20.5 | 176.5 | -73.9 | 168.8 | 0 | 0 | 0 | 113 | H52 Y53 F55 E225 C230 P231 | H52-L227 HydrophobicContact CB-CD1 4.41Å; Y53-L227 WeakPolarHBondContact O-CD1 3.24Å; F55-L227 PolarHBondContact O-N 3.04Å; E225-L227 PolarHBondContact O-N 3.45Å; L227-C230 PolarHBondContact O-N 3.22Å; L227-P231 HydrophobicContact CB-CG 3.68Å; L227-P231 HydrophobicContact CD1-CG 3.88Å; L227-P231 HydrophobicContact CD2-CG 4.36Å; L227-P231 HydrophobicContact CG-CG 4.18Å | ||
| 228 | G | 83.6 | Confident | 89.7 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -137.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L226 | L226-G228 PolarHBondContact O-N 3.32Š|
| 229 | D | 82.3 | Confident | 89.3 | Confident | 101 Ų | 101 | 43.5 Ų | 43.5 | 54% | 0.54 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6.9 | -179.3 | -69.7 | -37 | 0 | 0 | 0 | 113.7 | K232 | D229-K232 HydrophobicContact CB-CD 4.24Å; D229-K232 VanDerWaalsContact O-CB 3.25Å; D229-K232 WeakPolarHBondContact O-CB 3.28Å; D229-K232 WeakPolarHBondContact O-CG 3.45Å; D229-K232 PolarHBondContact O-N 3.21Å; D229-K232 WeakPolarHBondContact OD1-CE 3.39Å; D229-K232 IonicContact OD1-NZ 2.67Å; D229-K232 PolarHBondContact OD1-NZ 3.23Å |
| 230 | C | 84.2 | Confident | 88.7 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -54.7 | -46.5 | -173.2 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | L227 K232 H233 C245 C254 A256 | L227-C230 PolarHBondContact O-N 3.22Å; C230-K232 PolarHBondContact O-N 3.02Å; C230-H233 WeakPolarHBondContact O-CB 3.17Å; C230-H233 PolarHBondContact O-N 3.2Å; C230-C245 WeakPolarHBondContact CA-SG 3.25Å; C230-C245 HydrophobicContact CB-CB 3.71Å; C230-C245 WeakPolarHBondContact CB-SG 3.49Å; C230-C245 VanDerWaalsContact SG-CA 3.59Å; C230-C245 WeakPolarHBondContact SG-CB 3.43Å; C230-C245 CovalentContact SG-SG 2.03Å; C230-C245 PolarHBondContact SG-SG 3.01Å; C230-C254 WeakPolarHBondContact O-CB 3.04Å; C230-C254 PolarHBondContact O-SG 2.67Å; C230-C254 VanDerWaalsContact O-SG 3.36Å; C230-A256 VanDerWaalsContact SG-CA 3.59Å |
| 231 | P | 82.3 | Confident | 88 | Confident | 53 Ų | 53 | 52.5 Ų | 52.5 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -62.5 | -12.8 | -179.4 | -23.3 | 35.1 | 0 | 0 | 0 | 115 | L227 H233 | L227-P231 HydrophobicContact CB-CG 3.68Å; L227-P231 HydrophobicContact CD1-CG 3.88Å; L227-P231 HydrophobicContact CD2-CG 4.36Å; L227-P231 HydrophobicContact CG-CG 4.18Å; P231-H233 VanDerWaalsContact C-N 3.29Å |
| 232 | K | 81.6 | Confident | 87.3 | Confident | 118 Ų | 118 | 52.8 Ų | 52.8 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -74.4 | -22.2 | 176.1 | -59.9 | 174.9 | 178.3 | 170.1 | 0 | 112.3 | D229 C230 N234 | D229-K232 HydrophobicContact CB-CD 4.24Å; D229-K232 VanDerWaalsContact O-CB 3.25Å; D229-K232 WeakPolarHBondContact O-CB 3.28Å; D229-K232 WeakPolarHBondContact O-CG 3.45Å; D229-K232 PolarHBondContact O-N 3.21Å; D229-K232 WeakPolarHBondContact OD1-CE 3.39Å; D229-K232 IonicContact OD1-NZ 2.67Å; D229-K232 PolarHBondContact OD1-NZ 3.23Å; C230-K232 PolarHBondContact O-N 3.02Å; K232-N234 PolarHBondContact O-N 3.02Å |
| 233 | H | 83.6 | Confident | 86.5 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | trans | -79.5 | 105.3 | 177.8 | -60.5 | -53.5 | 0 | 0 | 0 | 109.8 | C230 P231 E238 C239 C254 | C230-H233 WeakPolarHBondContact O-CB 3.17Å; C230-H233 PolarHBondContact O-N 3.2Å; P231-H233 VanDerWaalsContact C-N 3.29Å; H233-E238 HydrophobicContact CB-CB 3.87Å; H233-C239 HydrophobicContact CB-CB 4.07Å; H233-C254 HydrophobicContact CB-CB 3.93Å; H233-C254 VanDerWaalsContact O-CB 3.3Å; H233-C254 WeakPolarHBondContact O-CB 3.27Å | ||
| 234 | N | 83.4 | Confident | 85.7 | Confident | 135 Ų | 135 | 67 Ų | 67 | 72% | 0.722 | 37% | 0.366 | S | S | * | . | trans | -92.3 | -3.4 | -173.1 | -68.4 | -39.8 | 0 | 0 | 0 | 113.4 | K232 E238 | K232-N234 PolarHBondContact O-N 3.02Å; N234-E238 PolarHBondContact N-OE2 2.98Å | ||
| 235 | S | 86 | Confident | 85.3 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -122.9 | 154 | 176.7 | 65.7 | 0 | 0 | 0 | 0 | 111.3 | E237 E238 C239 | S235-E237 PolarHBondContact O-N 3.36Å; S235-E238 PolarHBondContact O-N 3.26Å; S235-E238 WeakPolarHBondContact OG-CB 2.96Å; S235-E238 VanDerWaalsContact OG-CD 3.24Å; S235-E238 WeakPolarHBondContact OG-CG 3.47Å; S235-E238 PolarHBondContact OG-N 2.02Å; S235-E238 PolarHBondContact OG-OE1 2.85Å; S235-C239 WeakPolarHBondContact O-CB 2.94Å; S235-C239 PolarHBondContact O-N 2.81Å |
| 236 | T | 86.5 | Confident | 84.9 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.8 | -39.9 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 111 | C239 K240 W247 | T236-C239 PolarHBondContact O-N 3.22Å; T236-K240 HydrophobicContact CG2-CD 3.84Å; T236-K240 HydrophobicContact CG2-CG 4.38Å; T236-K240 VanDerWaalsContact O-CB 3.3Å; T236-K240 WeakPolarHBondContact O-CB 3.46Å; T236-K240 WeakPolarHBondContact O-CG 3.33Å; T236-K240 PolarHBondContact O-N 3.37Å; T236-W247 HydrophobicContact CG2-CB 4.28Å; T236-W247 HydrophobicContact CG2-CD2 4.42Å; T236-W247 HydrophobicContact CG2-CG 3.96Å; T236-W247 VanDerWaalsContact OG1-CE2 3.23Å; T236-W247 PolarHBondContact OG1-NE1 3.36Å |
| 237 | E | 87.8 | Confident | 84.6 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 66% | 0.659 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.1 | -48.5 | -177.4 | -64.2 | 67.7 | -147.3 | 0 | 0 | 111.5 | S235 C239 K240 G241 | S235-E237 PolarHBondContact O-N 3.36Å; E237-C239 VanDerWaalsContact C-N 3.32Å; E237-C239 PolarHBondContact O-N 3.26Å; E237-K240 PolarHBondContact O-N 3.13Å; E237-G241 PolarHBondContact O-N 3.35Å |
| 238 | E | 89.2 | Confident | 84.3 | Confident | 102 Ų | 102 | 67 Ų | 67 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.4 | -75.2 | 168.5 | -153.9 | 0 | 0 | 111.2 | H233 N234 S235 G241 A242 | H233-E238 HydrophobicContact CB-CB 3.87Å; N234-E238 PolarHBondContact N-OE2 2.98Å; S235-E238 PolarHBondContact O-N 3.26Å; S235-E238 WeakPolarHBondContact OG-CB 2.96Å; S235-E238 VanDerWaalsContact OG-CD 3.24Å; S235-E238 WeakPolarHBondContact OG-CG 3.47Å; S235-E238 PolarHBondContact OG-N 2.02Å; S235-E238 PolarHBondContact OG-OE1 2.85Å; E238-G241 PolarHBondContact O-N 3.3Å; E238-A242 PolarHBondContact O-N 3.28Å |
| 239 | C | 88 | Confident | 84.2 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | -179.2 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | H233 S235 T236 E237 G241 A242 M246 W247 C254 | H233-C239 HydrophobicContact CB-CB 4.07Å; S235-C239 WeakPolarHBondContact O-CB 2.94Å; S235-C239 PolarHBondContact O-N 2.81Å; T236-C239 PolarHBondContact O-N 3.22Å; E237-C239 VanDerWaalsContact C-N 3.32Å; E237-C239 PolarHBondContact O-N 3.26Å; C239-G241 PolarHBondContact O-N 3.02Å; C239-A242 PolarHBondContact O-N 2.92Å; C239-A242 VanDerWaalsContact O-N 3.13Å; C239-M246 PolarHBondContact SG-O 2.85Å; C239-W247 HydrophobicContact CB-CB 4.29Å; C239-W247 HydrophobicContact CB-CE3 3.79Å; C239-W247 PolarHBondContact SG-N 3.43Å; C239-C254 WeakPolarHBondContact CA-SG 3.49Å; C239-C254 HydrophobicContact CB-CB 3.55Å; C239-C254 WeakPolarHBondContact CB-SG 3.23Å; C239-C254 WeakPolarHBondContact SG-CA 3.3Å; C239-C254 WeakPolarHBondContact SG-CB 3.33Å; C239-C254 CovalentContact SG-SG 2.02Å; C239-C254 PolarHBondContact SG-SG 3.46Å |
| 240 | K | 84.9 | Confident | 84 | Confident | 135 Ų | 135 | 72.1 Ų | 72.1 | 59% | 0.587 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.7 | -27 | 176.4 | -74.7 | 176.7 | 179.6 | 176.5 | 0 | 112.5 | T236 E237 A242 | T236-K240 HydrophobicContact CG2-CD 3.84Å; T236-K240 HydrophobicContact CG2-CG 4.38Å; T236-K240 VanDerWaalsContact O-CB 3.3Å; T236-K240 WeakPolarHBondContact O-CB 3.46Å; T236-K240 WeakPolarHBondContact O-CG 3.33Å; T236-K240 PolarHBondContact O-N 3.37Å; E237-K240 PolarHBondContact O-N 3.13Å; K240-A242 VanDerWaalsContact C-N 3.29Å |
| 241 | G | 83.3 | Confident | 83.7 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 67% | 0.67 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70.8 | -22.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E237 E238 C239 | E237-G241 PolarHBondContact O-N 3.35Å; E238-G241 PolarHBondContact O-N 3.3Å; C239-G241 PolarHBondContact O-N 3.02Å |
| 242 | A | 83.8 | Confident | 83.7 | Confident | 20 Ų | 20 | 79.5 Ų | 79.5 | 17% | 0.165 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -86.4 | 116.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E238 C239 K240 T244 C245 | E238-A242 PolarHBondContact O-N 3.28Å; C239-A242 PolarHBondContact O-N 2.92Å; C239-A242 VanDerWaalsContact O-N 3.13Å; K240-A242 VanDerWaalsContact C-N 3.29Å; A242-T244 PolarHBondContact O-N 3.47Å; A242-C245 HydrophobicContact CB-CB 3.88Å; A242-C245 VanDerWaalsContact CB-SG 3.55Å; A242-C245 PolarHBondContact O-N 3.45Å |
| 243 | K | 80.3 | Confident | 83.9 | Confident | 211 Ų | 211 | 74.9 Ų | 74.9 | 92% | 0.917 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -29.1 | -171.9 | -68 | -175.3 | 178.7 | -178.5 | 0 | 115.1 | ||
| 244 | T | 82.2 | Confident | 84 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 61% | 0.607 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 9.6 | -174.4 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | A242 A256 I257 | A242-T244 PolarHBondContact O-N 3.47Å; T244-A256 WeakPolarHBondContact O-CA 3.46Å; T244-I257 PolarHBondContact O-N 3.11Å |
| 245 | C | 86 | Confident | 84 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 151.1 | -174.9 | -50.4 | 0 | 0 | 0 | 0 | 111.9 | C230 A242 C254 T255 I257 | C230-C245 WeakPolarHBondContact CA-SG 3.25Å; C230-C245 HydrophobicContact CB-CB 3.71Å; C230-C245 WeakPolarHBondContact CB-SG 3.49Å; C230-C245 VanDerWaalsContact SG-CA 3.59Å; C230-C245 WeakPolarHBondContact SG-CB 3.43Å; C230-C245 CovalentContact SG-SG 2.03Å; C230-C245 PolarHBondContact SG-SG 3.01Å; A242-C245 HydrophobicContact CB-CB 3.88Å; A242-C245 VanDerWaalsContact CB-SG 3.55Å; A242-C245 PolarHBondContact O-N 3.45Å; C245-C254 WeakPolarHBondContact CB-SG 3.12Å; C245-T255 CarbonylContact C-O 3.38Å; C245-T255 VanDerWaalsContact CA-O 3.26Å; C245-T255 WeakPolarHBondContact CA-O 3.37Å; C245-I257 VanDerWaalsContact O-CD1 3.3Å; C245-I257 WeakPolarHBondContact O-CD1 3.2Å |
| 246 | M | 85.1 | Confident | 83.8 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.6 | 172.8 | 57.1 | 173.4 | 19.3 | 0 | 0 | 111.1 | C239 C254 T255 I257 F265 V272 | C239-M246 PolarHBondContact SG-O 2.85Å; M246-C254 WeakPolarHBondContact O-CA 3.3Å; M246-T255 HydrophobicContact CG-CG2 3.52Å; M246-T255 PolarHBondContact N-O 3.4Å; M246-T255 PolarHBondContact O-N 3.34Å; M246-T255 HydrophobicContact SD-CG2 4.15Å; M246-I257 HydrophobicContact CB-CD1 3.83Å; M246-I257 HydrophobicContact CB-CG1 3.53Å; M246-I257 HydrophobicContact CE-CD1 4.43Å; M246-I257 HydrophobicContact CE-CG1 4.03Å; M246-I257 HydrophobicContact CG-CD1 4.41Å; M246-I257 HydrophobicContact CG-CG1 3.56Å; M246-I257 HydrophobicContact SD-CG1 4.19Å; M246-F265 HydrophobicContact SD-CB 4.16Å; M246-F265 HydrophobicContact SD-CD1 4.48Å; M246-F265 HydrophobicContact SD-CD2 4.28Å; M246-F265 HydrophobicContact SD-CG 4.06Å; M246-V272 HydrophobicContact CE-CG2 3.59Å |
| 247 | W | 85.3 | Confident | 83.1 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.3 | 173.8 | -175.7 | -103.1 | 0 | 0 | 0 | 110.1 | T236 C239 E249 R252 C254 | T236-W247 HydrophobicContact CG2-CB 4.28Å; T236-W247 HydrophobicContact CG2-CD2 4.42Å; T236-W247 HydrophobicContact CG2-CG 3.96Å; T236-W247 VanDerWaalsContact OG1-CE2 3.23Å; T236-W247 PolarHBondContact OG1-NE1 3.36Å; C239-W247 HydrophobicContact CB-CB 4.29Å; C239-W247 HydrophobicContact CB-CE3 3.79Å; C239-W247 PolarHBondContact SG-N 3.43Å; W247-E249 VanDerWaalsContact CD1-OE2 3.27Å; W247-E249 PolarHBondContact NE1-OE2 2.88Å; W247-R252 HydrophobicContact CZ2-CB 4.4Å; W247-C254 HydrophobicContact CE3-CB 4.14Å; W247-C254 HydrophobicContact CZ3-CB 4.42Å |
| 248 | C | 82.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 104 | 172.1 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | K250 A251 R252 M253 C270 | C248-K250 PolarHBondContact O-N 2.81Å; C248-A251 HydrophobicContact CB-CB 4.12Å; C248-A251 PolarHBondContact O-N 2.8Å; C248-R252 WeakPolarHBondContact O-CA 3.47Å; C248-R252 PolarHBondContact O-N 3.44Å; C248-M253 HydrophobicContact CB-CG 4.43Å; C248-M253 PolarHBondContact N-O 2.83Å; C248-M253 PolarHBondContact O-N 2.84Å; C248-C270 HydrophobicContact CB-CB 3.75Å; C248-C270 WeakPolarHBondContact CB-SG 2.89Å; C248-C270 WeakPolarHBondContact SG-CB 3.44Å; C248-C270 CovalentContact SG-SG 2.04Å; C248-C270 PolarHBondContact SG-SG 3.43Å |
| 249 | E | 81.4 | Confident | 80.6 | Confident | 113 Ų | 113 | 65.2 Ų | 65.2 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -45.7 | -174.8 | -168.8 | 57 | -148.5 | 0 | 0 | 112.5 | W247 A251 R252 | W247-E249 VanDerWaalsContact CD1-OE2 3.27Å; W247-E249 PolarHBondContact NE1-OE2 2.88Å; E249-A251 PolarHBondContact O-N 3.15Å; E249-R252 WeakPolarHBondContact O-CG 3.22Å; E249-R252 PolarHBondContact O-N 2.84Å |
| 250 | K | 76.7 | Confident | 79.4 | Confident | 144 Ų | 144 | 71.6 Ų | 71.6 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -37.9 | 179.2 | -174.9 | 176.1 | -178.3 | -176.4 | 0 | 112.4 | C248 G269 | C248-K250 PolarHBondContact O-N 2.81Å; K250-G269 WeakPolarHBondContact CB-O 3.47Å |
| 251 | A | 78.2 | Confident | 78.3 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -10.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K40 L42 C248 E249 M253 | K40-A251 PolarHBondContact NZ-O 3.06Å; L42-A251 HydrophobicContact CB-CB 4.27Å; L42-A251 HydrophobicContact CD2-CB 3.7Å; L42-A251 HydrophobicContact CG-CB 3.86Å; C248-A251 HydrophobicContact CB-CB 4.12Å; C248-A251 PolarHBondContact O-N 2.8Å; E249-A251 PolarHBondContact O-N 3.15Å; A251-M253 HydrophobicContact CB-CE 3.95Å; A251-M253 HydrophobicContact CB-CG 3.74Å; A251-M253 HydrophobicContact CB-SD 4.13Å |
| 252 | R | 82.9 | Confident | 77.3 | Confident | 202 Ų | 202 | 64.1 Ų | 64.1 | 76% | 0.762 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 53.2 | -173 | -63.5 | -176.7 | 175 | 165.8 | -1.3 | 112.3 | W247 C248 E249 | W247-R252 HydrophobicContact CZ2-CB 4.4Å; C248-R252 WeakPolarHBondContact O-CA 3.47Å; C248-R252 PolarHBondContact O-N 3.44Å; E249-R252 WeakPolarHBondContact O-CG 3.22Å; E249-R252 PolarHBondContact O-N 2.84Å |
| 253 | M | 84.5 | Confident | 76.2 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 11% | 0.108 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 159.7 | -178.1 | 66.4 | 171.2 | 67.3 | 0 | 0 | 111.7 | K40 L42 H52 C248 A251 | K40-M253 HydrophobicContact CD-CE 3.39Å; K40-M253 HydrophobicContact CG-CE 4.08Å; K40-M253 VanDerWaalsContact NZ-CE 3.25Å; L42-M253 HydrophobicContact CD1-CE 4.5Å; L42-M253 HydrophobicContact CD1-SD 4.23Å; L42-M253 HydrophobicContact CD2-CE 4.31Å; L42-M253 HydrophobicContact CD2-CG 4.2Å; L42-M253 HydrophobicContact CD2-SD 3.47Å; L42-M253 WeakPolarHBondContact CD2-SD 3.46Å; L42-M253 HydrophobicContact CG-CE 4.2Å; L42-M253 HydrophobicContact CG-SD 3.96Å; H52-M253 PolarHBondContact CE1-SD 2.83Å; H52-M253 PolarHBondContact ND1-SD 3.21Å; C248-M253 HydrophobicContact CB-CG 4.43Å; C248-M253 PolarHBondContact N-O 2.83Å; C248-M253 PolarHBondContact O-N 2.84Å; A251-M253 HydrophobicContact CB-CE 3.95Å; A251-M253 HydrophobicContact CB-CG 3.74Å; A251-M253 HydrophobicContact CB-SD 4.13Å |
| 254 | C | 85.8 | Confident | 75.4 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 135.3 | 172.4 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | C230 H233 C239 C245 M246 W247 | C230-C254 WeakPolarHBondContact O-CB 3.04Å; C230-C254 PolarHBondContact O-SG 2.67Å; C230-C254 VanDerWaalsContact O-SG 3.36Å; H233-C254 HydrophobicContact CB-CB 3.93Å; H233-C254 VanDerWaalsContact O-CB 3.3Å; H233-C254 WeakPolarHBondContact O-CB 3.27Å; C239-C254 WeakPolarHBondContact CA-SG 3.49Å; C239-C254 HydrophobicContact CB-CB 3.55Å; C239-C254 WeakPolarHBondContact CB-SG 3.23Å; C239-C254 WeakPolarHBondContact SG-CA 3.3Å; C239-C254 WeakPolarHBondContact SG-CB 3.33Å; C239-C254 CovalentContact SG-SG 2.02Å; C239-C254 PolarHBondContact SG-SG 3.46Å; C245-C254 WeakPolarHBondContact CB-SG 3.12Å; M246-C254 WeakPolarHBondContact O-CA 3.3Å; W247-C254 HydrophobicContact CE3-CB 4.14Å; W247-C254 HydrophobicContact CZ3-CB 4.42Å |
| 255 | T | 83 | Confident | 74.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 155.4 | -178.6 | -168.6 | 0 | 0 | 0 | 0 | 111.1 | Y50 H52 C245 M246 | Y50-T255 PolarHBondContact OH-OG1 2.86Å; H52-T255 PolarHBondContact CE1-OG1 2.91Å; H52-T255 PolarHBondContact NE2-OG1 2.03Å; C245-T255 CarbonylContact C-O 3.38Å; C245-T255 VanDerWaalsContact CA-O 3.26Å; C245-T255 WeakPolarHBondContact CA-O 3.37Å; M246-T255 HydrophobicContact CG-CG2 3.52Å; M246-T255 PolarHBondContact N-O 3.4Å; M246-T255 PolarHBondContact O-N 3.34Å; M246-T255 HydrophobicContact SD-CG2 4.15Å |
| 256 | A | 81.8 | Confident | 73.3 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 11% | 0.107 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 140.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | C230 T244 | C230-A256 VanDerWaalsContact SG-CA 3.59Å; T244-A256 WeakPolarHBondContact O-CA 3.46Å |
| 257 | I | 72.5 | Confident | 72 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | trans | -88.2 | 118.4 | 173.9 | -58.6 | 172.9 | 0 | 0 | 0 | 108.5 | T244 C245 M246 I262 | T244-I257 PolarHBondContact O-N 3.11Å; C245-I257 VanDerWaalsContact O-CD1 3.3Å; C245-I257 WeakPolarHBondContact O-CD1 3.2Å; M246-I257 HydrophobicContact CB-CD1 3.83Å; M246-I257 HydrophobicContact CB-CG1 3.53Å; M246-I257 HydrophobicContact CE-CD1 4.43Å; M246-I257 HydrophobicContact CE-CG1 4.03Å; M246-I257 HydrophobicContact CG-CD1 4.41Å; M246-I257 HydrophobicContact CG-CG1 3.56Å; M246-I257 HydrophobicContact SD-CG1 4.19Å; I257-I262 HydrophobicContact CG2-CD1 3.88Å; I257-I262 HydrophobicContact CG2-CG1 3.84Å | ||
| 258 | N | 67.1 | Low | 70.8 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | trans | -108.5 | 125.3 | 166.6 | -82 | 42.2 | 0 | 0 | 0 | 110.1 | E225 E260 N261 I262 | E225-N258 PolarHBondContact OE1-ND2 3.34Å; E225-N258 WeakPolarHBondContact OE2-CB 3.45Å; E225-N258 PolarHBondContact OE2-ND2 3.22Å; N258-E260 PolarHBondContact O-N 3.11Å; N258-E260 VanDerWaalsContact O-N 3.12Å; N258-N261 PolarHBondContact O-N 3.33Å; N258-I262 WeakPolarHBondContact O-CG1 3.32Å; N258-I262 PolarHBondContact O-N 2.88Å | ||
| 259 | H | 57 | Low | 69.7 | Low | 169 Ų | 169 | 66.9 Ų | 66.9 | 78% | 0.782 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.6 | -172.3 | -75.8 | -71.2 | 0 | 0 | 0 | 113.6 | N261 I262 | H259-N261 VanDerWaalsContact C-N 3.35Å; H259-I262 HydrophobicContact CB-CD1 4.47Å |
| 260 | E | 62.9 | Low | 69 | Low | 135 Ų | 135 | 61.6 Ų | 61.6 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -33.8 | 179 | -66.1 | 177.4 | 172.9 | 0 | 0 | 112.5 | K171 N258 | K171-E260 IonicContact NZ-OE2 2.69Å; K171-E260 PolarHBondContact NZ-OE2 3.23Å; N258-E260 PolarHBondContact O-N 3.11Å; N258-E260 VanDerWaalsContact O-N 3.12Å |
| 261 | N | 62.2 | Low | 68.1 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -3.1 | -171.5 | -59.7 | -21.9 | 0 | 0 | 0 | 112.4 | L59 N258 H259 H263 E264 F265 | L59-N261 VanDerWaalsContact CD2-CG 3.46Å; L59-N261 WeakPolarHBondContact CD2-ND2 2.98Å; L59-N261 VanDerWaalsContact CD2-OD1 3.25Å; L59-N261 WeakPolarHBondContact CD2-OD1 3.42Å; N258-N261 PolarHBondContact O-N 3.33Å; H259-N261 VanDerWaalsContact C-N 3.35Å; N261-H263 PolarHBondContact O-N 2.91Å; N261-H263 VanDerWaalsContact O-N 3.15Å; N261-E264 PolarHBondContact O-N 3.16Å; N261-F265 HydrophobicContact CB-CD2 3.66Å; N261-F265 HydrophobicContact CB-CE2 3.37Å; N261-F265 HydrophobicContact CB-CZ 4.41Å; N261-F265 WeakPolarHBondContact O-CD2 3.21Å; N261-F265 PolarHBondContact O-N 3.45Å |
| 262 | I | 61.8 | Low | 66.9 | Low | 43 Ų | 43 | 65.1 Ų | 65.1 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.8 | -40.8 | -177.6 | -69.3 | 177.3 | 0 | 0 | 0 | 111.3 | I257 N258 H259 K266 | I257-I262 HydrophobicContact CG2-CD1 3.88Å; I257-I262 HydrophobicContact CG2-CG1 3.84Å; N258-I262 WeakPolarHBondContact O-CG1 3.32Å; N258-I262 PolarHBondContact O-N 2.88Å; H259-I262 HydrophobicContact CB-CD1 4.47Å; I262-K266 HydrophobicContact CG2-CD 3.9Å; I262-K266 HydrophobicContact CG2-CG 4.34Å; I262-K266 VanDerWaalsContact O-CB 3.31Å; I262-K266 WeakPolarHBondContact O-CB 3.43Å; I262-K266 VanDerWaalsContact O-CG 3.23Å; I262-K266 WeakPolarHBondContact O-CG 2.97Å; I262-K266 PolarHBondContact O-N 2.97Å |
| 263 | H | 60.9 | Low | 64.9 | Low | 135 Ų | 135 | 63 Ų | 63 | 63% | 0.625 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.8 | -46.7 | 179.2 | -175.7 | -85.8 | 0 | 0 | 0 | 111.4 | N261 F265 K266 V267 | N261-H263 PolarHBondContact O-N 2.91Å; N261-H263 VanDerWaalsContact O-N 3.15Å; H263-F265 PolarHBondContact O-N 3.14Å; H263-K266 PolarHBondContact O-N 3.16Å; H263-V267 WeakPolarHBondContact O-CB 3.31Å; H263-V267 WeakPolarHBondContact O-CG2 3.34Å; H263-V267 PolarHBondContact O-N 3.17Å |
| 264 | E | 63 | Low | 62.5 | Low | 40 Ų | 40 | 65.6 Ų | 65.6 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 178.9 | -66.7 | 170.6 | 167.5 | 0 | 0 | 110.9 | Y48 R61 N261 K266 V267 N268 | Y48-E264 HydrophobicContact CE2-CB 4.11Å; Y48-E264 HydrophobicContact CE2-CG 4.26Å; Y48-E264 VanDerWaalsContact CE2-OE2 3.31Å; Y48-E264 WeakPolarHBondContact CE2-OE2 3.13Å; R61-E264 WeakPolarHBondContact CD-OE1 3.29Å; R61-E264 IonicContact NH1-OE1 3.6Å; R61-E264 PolarHBondContact NH1-OE1 3.38Å; R61-E264 VanDerWaalsContact NH1-OE1 3.15Å; R61-E264 IonicContact NH1-OE2 2.64Å; N261-E264 PolarHBondContact O-N 3.16Å; E264-K266 PolarHBondContact O-N 3.1Å; E264-V267 PolarHBondContact O-N 3.37Å; E264-N268 VanDerWaalsContact O-CB 3.29Å; E264-N268 WeakPolarHBondContact O-CB 3.38Å; E264-N268 PolarHBondContact O-N 3.47Å |
| 265 | F | 63.9 | Low | 60 | Low | 5 Ų | 5 | 72.5 Ų | 72.5 | 2% | 0.022 | 37% | 0.374 | C | S | . | . | I | π-helix | trans | -59.8 | -46.5 | 173.5 | -76.3 | -63.4 | 0 | 0 | 0 | 112.3 | Y50 M246 N261 H263 G269 C270 | Y50-F265 AromaticContact CD1-CE1 3.6Å; Y50-F265 HydrophobicContact CD1-CE1 3.6Å; Y50-F265 HydrophobicContact CD1-CZ 4.09Å; Y50-F265 HydrophobicContact CD2-CE1 4.22Å; Y50-F265 AromaticContact CD2-CZ 3.95Å; Y50-F265 HydrophobicContact CD2-CZ 3.95Å; Y50-F265 AromaticContact CE1-CE1 3.38Å; Y50-F265 HydrophobicContact CE1-CE1 3.38Å; Y50-F265 AromaticContact CE1-CZ 3.66Å; Y50-F265 HydrophobicContact CE1-CZ 3.66Å; Y50-F265 HydrophobicContact CE2-CE1 4.05Å; Y50-F265 AromaticContact CE2-CZ 3.51Å; Y50-F265 HydrophobicContact CE2-CZ 3.51Å; Y50-F265 HydrophobicContact CG-CE1 4Å; Y50-F265 HydrophobicContact CG-CZ 4.22Å; Y50-F265 AromaticContact CZ-CE1 3.62Å; Y50-F265 AromaticContact CZ-CZ 3.33Å; M246-F265 HydrophobicContact SD-CB 4.16Å; M246-F265 HydrophobicContact SD-CD1 4.48Å; M246-F265 HydrophobicContact SD-CD2 4.28Å; M246-F265 HydrophobicContact SD-CG 4.06Å; N261-F265 HydrophobicContact CB-CD2 3.66Å; N261-F265 HydrophobicContact CB-CE2 3.37Å; N261-F265 HydrophobicContact CB-CZ 4.41Å; N261-F265 WeakPolarHBondContact O-CD2 3.21Å; N261-F265 PolarHBondContact O-N 3.45Å; H263-F265 PolarHBondContact O-N 3.14Å; F265-G269 PolarHBondContact O-N 3.16Å; F265-C270 CarbonylContact O-C 3.48Å; F265-C270 PolarHBondContact O-N 3Å |
| 266 | K | 60.5 | Low | 57.3 | Low | 105 Ų | 105 | 77.4 Ų | 77.4 | 46% | 0.457 | 41% | 0.408 | S | S | . | . | I | π-helix | trans | -63.8 | -42.6 | -179.7 | -80.3 | 178.3 | 178.1 | -177.6 | 0 | 112.9 | I262 H263 E264 V272 | I262-K266 HydrophobicContact CG2-CD 3.9Å; I262-K266 HydrophobicContact CG2-CG 4.34Å; I262-K266 VanDerWaalsContact O-CB 3.31Å; I262-K266 WeakPolarHBondContact O-CB 3.43Å; I262-K266 VanDerWaalsContact O-CG 3.23Å; I262-K266 WeakPolarHBondContact O-CG 2.97Å; I262-K266 PolarHBondContact O-N 2.97Å; H263-K266 PolarHBondContact O-N 3.16Å; E264-K266 PolarHBondContact O-N 3.1Å; K266-V272 HydrophobicContact CG-CB 4.18Å; K266-V272 HydrophobicContact CG-CG2 3.93Å |
| 267 | V | 58.7 | Low | 54.8 | Low | 93 Ų | 93 | 84 Ų | 84 | 56% | 0.564 | 44% | 0.441 | S | S | * | . | I | π-helix | trans | -82.8 | -38.9 | -173.3 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | H263 E264 | H263-V267 WeakPolarHBondContact O-CB 3.31Å; H263-V267 WeakPolarHBondContact O-CG2 3.34Å; H263-V267 PolarHBondContact O-N 3.17Å; E264-V267 PolarHBondContact O-N 3.37Å |
| 268 | N | 59.5 | Low | 52.7 | Low | 61 Ų | 61 | 86.7 Ų | 86.7 | 33% | 0.326 | 46% | 0.46 | S | S | . | . | I | π-helix | trans | -110.3 | -32.2 | -163.3 | -70.2 | -24.8 | 0 | 0 | 0 | 114.9 | F43 E264 | F43-N268 HydrophobicContact CD1-CB 4.23Å; F43-N268 HydrophobicContact CD2-CB 4.1Å; F43-N268 WeakPolarHBondContact CD2-O 3.09Å; F43-N268 HydrophobicContact CE1-CB 3.8Å; F43-N268 HydrophobicContact CE2-CB 3.67Å; F43-N268 WeakPolarHBondContact CE2-O 3.46Å; F43-N268 HydrophobicContact CG-CB 4.36Å; F43-N268 HydrophobicContact CZ-CB 3.5Å; F43-N268 VanDerWaalsContact CZ-CB 3.5Å; E264-N268 VanDerWaalsContact O-CB 3.29Å; E264-N268 WeakPolarHBondContact O-CB 3.38Å; E264-N268 PolarHBondContact O-N 3.47Å |
| 269 | G | 60 | Low | 50.9 | Low | 14 Ų | 14 | 92.3 Ų | 92.3 | 14% | 0.144 | 49% | 0.49 | C | S | . | . | I | π-helix | trans | -125.2 | -50.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K250 F265 | K250-G269 WeakPolarHBondContact CB-O 3.47Å; F265-G269 PolarHBondContact O-N 3.16Å |
| 270 | C | 65.4 | Low | 49.7 | Very low | 2 Ų | 2 | 89.5 Ų | 89.5 | 1% | 0.014 | 49% | 0.485 | C | S | . | . | trans | -134.7 | 91.6 | -165.3 | -51.1 | 0 | 0 | 0 | 0 | 107.4 | C248 F265 V272 | C248-C270 HydrophobicContact CB-CB 3.75Å; C248-C270 WeakPolarHBondContact CB-SG 2.89Å; C248-C270 WeakPolarHBondContact SG-CB 3.44Å; C248-C270 CovalentContact SG-SG 2.04Å; C248-C270 PolarHBondContact SG-SG 3.43Å; F265-C270 CarbonylContact O-C 3.48Å; F265-C270 PolarHBondContact O-N 3Å; C270-V272 PolarHBondContact O-N 2.85Å | ||
| 271 | Q | 58.3 | Low | 47.9 | Very low | 166 Ų | 166 | 89.8 Ų | 89.8 | 78% | 0.776 | 50% | 0.495 | S | S | * | . | trans | -58.8 | 113.1 | 177.1 | -69.9 | -175.3 | -4 | 0 | 0 | 109.1 | E273 | Q271-E273 PolarHBondContact O-N 3.25Š| ||
| 272 | V | 52.9 | Low | 46.6 | Very low | 61 Ų | 61 | 94.9 Ų | 94.9 | 37% | 0.37 | 53% | 0.531 | S | S | . | . | trans | -82.2 | 103.2 | 169.5 | -176.4 | 0 | 0 | 0 | 0 | 106.2 | M246 K266 C270 A274 | M246-V272 HydrophobicContact CE-CG2 3.59Å; K266-V272 HydrophobicContact CG-CB 4.18Å; K266-V272 HydrophobicContact CG-CG2 3.93Å; C270-V272 PolarHBondContact O-N 2.85Å; V272-A274 PolarHBondContact O-N 3.15Å | ||
| 273 | E | 40.8 | Very low | 45 | Very low | 156 Ų | 156 | 102.3 Ų | 102.3 | 73% | 0.729 | 57% | 0.565 | S | S | * | * | trans | -64.8 | 95.8 | 158.3 | -75.7 | -173.8 | 169.4 | 0 | 0 | 107.3 | Q271 M275 | Q271-E273 PolarHBondContact O-N 3.25Å; E273-M275 PolarHBondContact O-N 3.26Å | ||
| 274 | A | 35.1 | Very low | 43.7 | Very low | 78 Ų | 78 | 100.7 Ų | 100.7 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | trans | -68.7 | 100 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | V272 S276 | V272-A274 PolarHBondContact O-N 3.15Å; A274-S276 VanDerWaalsContact C-N 3.26Å; A274-S276 PolarHBondContact O-N 2.99Å | ||
| 275 | M | 32.6 | Very low | 42.4 | Very low | 146 Ų | 146 | 105.5 Ų | 105.5 | 72% | 0.719 | 61% | 0.607 | S | S | * | * | trans | -66.2 | 97.3 | 159.8 | -79.6 | -176.7 | -155.5 | 0 | 0 | 107.2 | E273 N277 | E273-M275 PolarHBondContact O-N 3.26Å; M275-N277 PolarHBondContact O-N 2.9Å | ||
| 276 | S | 27.5 | Very low | 40.7 | Very low | 102 Ų | 102 | 111 Ų | 111 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | trans | -61.5 | 86.1 | 159.6 | 48.8 | 0 | 0 | 0 | 0 | 108.7 | A274 V278 | A274-S276 VanDerWaalsContact C-N 3.26Å; A274-S276 PolarHBondContact O-N 2.99Å; S276-V278 PolarHBondContact O-N 2.96Å; S276-V278 VanDerWaalsContact O-N 3.1Å | ||
| 277 | N | 28.2 | Very low | 39.6 | Very low | 151 Ų | 151 | 113.9 Ų | 113.9 | 81% | 0.807 | 66% | 0.657 | S | S | * | * | trans | -79.8 | 68.9 | 156.1 | -77.6 | -5.8 | 0 | 0 | 0 | 107.9 | M275 | M275-N277 PolarHBondContact O-N 2.9Š| ||
| 278 | V | 29.7 | Very low | 38.3 | Very low | 109 Ų | 109 | 115.4 Ų | 115.4 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | trans | -113.8 | 102.6 | 157.7 | -172.5 | 0 | 0 | 0 | 0 | 105.5 | S276 V280 | S276-V278 PolarHBondContact O-N 2.96Å; S276-V278 VanDerWaalsContact O-N 3.1Å; V278-V280 VanDerWaalsContact C-N 3.3Å; V278-V280 HydrophobicContact CG1-CG2 3.62Å; V278-V280 PolarHBondContact O-N 3.37Å | ||
| 279 | N | 27.7 | Very low | 37.2 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 89% | 0.893 | 69% | 0.689 | S | S | * | * | trans | -57.3 | 96.9 | 163 | -82.5 | -15.6 | 0 | 0 | 0 | 107.7 | ||||
| 280 | V | 31.5 | Very low | 35.9 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 67% | 0.673 | 72% | 0.717 | S | S | * | * | trans | -113.8 | 94.4 | 159.3 | -171.7 | 0 | 0 | 0 | 0 | 106.7 | V278 S282 | V278-V280 VanDerWaalsContact C-N 3.3Å; V278-V280 HydrophobicContact CG1-CG2 3.62Å; V278-V280 PolarHBondContact O-N 3.37Å; V280-S282 PolarHBondContact O-N 3.05Å | ||
| 281 | T | 25.1 | Very low | 34.2 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -51.8 | 116.5 | 159.7 | 6.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 282 | S | 35.2 | Very low | 32.9 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -150.3 | 112 | 156.5 | 57.7 | 0 | 0 | 0 | 0 | 109.2 | V280 | V280-S282 PolarHBondContact O-N 3.05Š| ||
| 283 | E | 29 | Very low | 31.7 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -54.7 | 135.6 | 175.5 | -63.7 | 163 | 140.9 | 0 | 0 | 111.8 | ||||
| 284 | A | 34.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -155.3 | 132.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 285 | T | 34.3 | Very low | 30.8 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -76.8 | 143.3 | -154.9 | -44.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 286 | L | 28.2 | Very low | 30.9 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 63% | 0.634 | 79% | 0.794 | S | S | * | * | trans | -47.2 | 138.6 | 163.5 | -171 | 87.4 | 0 | 0 | 0 | 112.7 | ||||
| 287 | N | 36.8 | Very low | 31.1 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -156.8 | 129.5 | 131 | -97.8 | -18.6 | 0 | 0 | 0 | 113.1 | ||||
| 288 | N | 32.4 | Very low | 31.5 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | trans | -82.4 | 146.6 | -173.7 | -74.1 | -53.1 | 0 | 0 | 0 | 113.3 | ||||
| 289 | H | 35.8 | Very low | 31.8 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | 164.7 | 140.6 | 131.6 | -100.3 | -11.3 | 0 | 0 | 0 | 108.2 | ||||
| 290 | G | 32.6 | Very low | 31.9 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | cis | 172.9 | 136.9 | 6.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 291 | K | 30.8 | Very low | 32 | Very low | 202 Ų | 202 | 145 Ų | 145 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -18.6 | 144.1 | 173.1 | -62.6 | 167.8 | 171 | 172.3 | 0 | 118.6 | ||||
| 292 | T | 30.9 | Very low | 32.1 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | 167.7 | 136.2 | 93.5 | -62.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 293 | R | 28.1 | Very low | 32.2 | Very low | 221 Ų | 221 | 150.8 Ų | 150.8 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -3.1 | 146.7 | 150.1 | -102.5 | 177.5 | 164.1 | 169.4 | -5.9 | 117.2 | ||||
| 294 | T | 30.4 | Very low | 32.4 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | cis | -171.5 | 151.8 | 46.7 | -13.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 295 | G | 27 | Very low | 32.1 | Very low | 70 Ų | 70 | 152.5 Ų | 152.5 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -79.5 | 171.2 | -160.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 296 | I | 33.8 | Very low | 31.9 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -151.9 | 139.8 | 157.8 | -84 | 138.4 | 0 | 0 | 0 | 108.1 | ||||
| 297 | T | 32.8 | Very low | 32.3 | Very low | 130 Ų | 130 | 154.9 Ų | 154.9 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -16.3 | 144.3 | 168.7 | -24.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 298 | K | 34.6 | Very low | 32.1 | Very low | 195 Ų | 195 | 153.5 Ų | 153.5 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -42.4 | 164.2 | 161.7 | -106 | -176.3 | 176.1 | 178.9 | 0 | 113.9 | ||||
| 299 | P | 36.8 | Very low | 31.9 | Very low | 106 Ų | 106 | 153.4 Ų | 153.4 | 69% | 0.688 | 81% | 0.814 | S | S | * | * | cis | -148.4 | -171.4 | 33.8 | 36.9 | -12.5 | 0 | 0 | 0 | 117.5 | ||||
| 300 | D | 30.5 | Very low | 31.7 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | trans | 77.4 | 114.2 | 157.3 | -74.7 | -29.8 | 0 | 0 | 0 | 122.5 | ||||
| 301 | L | 32.3 | Very low | 31.4 | Very low | 186 Ų | 186 | 154.9 Ų | 154.9 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | trans | -141.4 | 97.2 | 142.6 | -146.5 | 80.5 | 0 | 0 | 0 | 109.8 | ||||
| 302 | R | 27.7 | Very low | 31.4 | Very low | 226 Ų | 226 | 151.3 Ų | 151.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -119.8 | 111.6 | 166.9 | -173.1 | -177.8 | -143.7 | -153.5 | 4.4 | 106.9 | ||||
| 303 | N | 36.5 | Very low | 31.2 | Very low | 143 Ų | 143 | 154 Ų | 154 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | trans | -176.5 | 113.2 | 161.4 | -98 | 0.2 | 0 | 0 | 0 | 103.5 | ||||
| 304 | E | 33.4 | Very low | 31.5 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | -174.5 | 107.1 | 77.7 | -86.8 | -70.8 | 142 | 0 | 0 | 106.7 | |||||
| 305 | L | 28 | Very low | 31.3 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -175.3 | 93.6 | 150.7 | -137 | 68.8 | 0 | 0 | 0 | 110.1 | ||||
| 306 | S | 30.6 | Very low | 31.4 | Very low | 111 Ų | 111 | 154.2 Ų | 154.2 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -179.2 | 145.6 | 149.7 | 46 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 307 | K | 36.7 | Very low | 31 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | 99.5 | 117.9 | -174.3 | -61.9 | 174.6 | 177.1 | 179.1 | 0 | 110.9 | ||||
| 308 | T | 32.5 | Very low | 31 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | cis | -160.6 | 140.4 | 32.9 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 309 | T | 28.1 | Very low | 30.8 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -82.1 | 157.1 | 173.6 | -20.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 310 | Q | 31.3 | Very low | 30.3 | Very low | 173 Ų | 173 | 151 Ų | 151 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | 98.9 | 128.6 | 148.2 | -74 | -178.6 | -11.2 | 0 | 0 | 121.6 | ||||
| 311 | T | 27.7 | Very low | 30.2 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | trans | 73.4 | 121.4 | 152.6 | 9.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 312 | T | 30.3 | Very low | 30 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -167.8 | 134.2 | 72.9 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 313 | E | 27.2 | Very low | 30.1 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -62.7 | 136 | 163.9 | -71.4 | 172.6 | 137.2 | 0 | 0 | 110.9 | ||||
| 314 | S | 32.7 | Very low | 29.6 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -174.5 | 118.6 | 138.8 | 33.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 315 | H | 27.1 | Very low | 29.5 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | trans | 34.6 | 114.1 | 134.5 | -59.6 | -84.5 | 0 | 0 | 0 | 118.9 | ||||
| 316 | L | 29.8 | Very low | 29.5 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -156.6 | 98.7 | 133.6 | -108.2 | 142.2 | 0 | 0 | 0 | 111.2 | I318 | L316-I318 HydrophobicContact CD2-CD1 3.83Å; L316-I318 HydrophobicContact CD2-CG1 3.82Å | ||
| 317 | V | 25.4 | Very low | 29.5 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | -69.6 | 123 | 156.7 | 171.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 318 | I | 32 | Very low | 29.2 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -133.6 | 131.9 | 156.9 | -63.2 | -175.5 | 0 | 0 | 0 | 109.1 | L316 | L316-I318 HydrophobicContact CD2-CD1 3.83Å; L316-I318 HydrophobicContact CD2-CG1 3.82Å | ||
| 319 | S | 29.9 | Very low | 28.8 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -77.8 | 155 | -166.1 | -48.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 320 | N | 26 | Very low | 29 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -4.3 | 122.5 | 149.9 | -60.4 | -10.5 | 0 | 0 | 0 | 117.6 | ||||
| 321 | V | 29.6 | Very low | 29 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -138.9 | 112.7 | 144 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | V323 | V321-V323 HydrophobicContact CG1-CG2 3.83Š| ||
| 322 | N | 26.9 | Very low | 29.2 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -63.9 | 125.8 | 160.1 | -104.3 | -4 | 0 | 0 | 0 | 108.4 | ||||
| 323 | V | 31.2 | Very low | 29.2 | Very low | 111 Ų | 111 | 142 Ų | 142 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | trans | -126.3 | 97 | 161.6 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | V321 | V321-V323 HydrophobicContact CG1-CG2 3.83Š| ||
| 324 | T | 24.7 | Very low | 29.6 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -65.6 | 127.5 | 157.2 | -40.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 325 | S | 32.9 | Very low | 29.5 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -133 | 94.4 | 168 | -53.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 326 | E | 26.2 | Very low | 29.5 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -72.2 | 126.7 | 152.4 | -81.1 | 176.8 | 140.6 | 0 | 0 | 107.6 | ||||
| 327 | T | 30.6 | Very low | 29.6 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | -135.2 | 94.3 | 161.2 | -30.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 328 | T | 30.5 | Very low | 29.7 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | 33.3 | 119.5 | 127.2 | -20.9 | 0 | 0 | 0 | 0 | 119 | |||||
| 329 | L | 24.6 | Very low | 29.8 | Very low | 153 Ų | 153 | 138 Ų | 138 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | -45.7 | 134.7 | 157.7 | -81.3 | 114.3 | 0 | 0 | 0 | 112.8 | ||||
| 330 | I | 32.8 | Very low | 30.1 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -130.4 | 118.4 | 151.4 | -62.1 | 179.6 | 0 | 0 | 0 | 107.4 | ||||
| 331 | N | 30 | Very low | 30.5 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | -65.7 | 136.5 | 170.4 | -65.5 | -30.8 | 0 | 0 | 0 | 109.6 | ||||
| 332 | H | 33.2 | Very low | 31 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | trans | -119.4 | 108 | 155.6 | -122.3 | -50 | 0 | 0 | 0 | 108.3 | ||||
| 333 | E | 30.6 | Very low | 31.1 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -109.9 | 113.3 | 166.2 | -173.5 | 177.4 | -165.4 | 0 | 0 | 105.7 | ||||
| 334 | E | 34.7 | Very low | 31.1 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -140.4 | 87 | 162 | -94.1 | -170.1 | 163.5 | 0 | 0 | 108.8 | ||||
| 335 | T | 30.5 | Very low | 31.4 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | 33.1 | 108.3 | 116.5 | -48.6 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 336 | T | 27.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | 68.1 | 115.7 | 129.5 | -48.4 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 337 | T | 31.5 | Very low | 32.1 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | -167.3 | 127 | 109.7 | 14.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 338 | S | 28.5 | Very low | 32 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -79.1 | 139.3 | 175 | 62 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 339 | I | 34.2 | Very low | 32.1 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -130.2 | 122.3 | 155.4 | -60.2 | -179.5 | 0 | 0 | 0 | 107.3 | ||||
| 340 | T | 35.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 64% | 0.638 | 77% | 0.772 | S | S | * | * | trans | -108.6 | 142.7 | -176.2 | -52.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 341 | E | 35.1 | Very low | 32.3 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 69.8 | 165.3 | 153.1 | -89.3 | -168.2 | 133.5 | 0 | 0 | 120.5 | ||||
| 342 | P | 38.3 | Very low | 32.7 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | cis | -137.6 | 174.6 | -41.6 | 34 | -15.7 | 0 | 0 | 0 | 113.3 | ||||
| 343 | A | 30.1 | Very low | 32.7 | Very low | 88 Ų | 88 | 143 Ų | 143 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 27.2 | 121.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 344 | L | 31.9 | Very low | 32.7 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | -136.8 | 93.9 | 152 | -159.5 | 73 | 0 | 0 | 0 | 111.1 | ||||
| 345 | T | 29.7 | Very low | 32.7 | Very low | 117 Ų | 117 | 139 Ų | 139 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -93.3 | 147.9 | 154.8 | -27.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 346 | N | 38.6 | Very low | 32.9 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 100.3 | 113.1 | 177.1 | -56.8 | -18.3 | 0 | 0 | 0 | 114.6 | ||||
| 347 | E | 36.3 | Very low | 33.3 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -171.4 | 87.3 | 124 | -99 | -67.9 | 131.5 | 0 | 0 | 107.5 | |||||
| 348 | L | 28 | Very low | 33.4 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -85.7 | 114.9 | 157.8 | -179.4 | 82.9 | 0 | 0 | 0 | 105.7 | ||||
| 349 | N | 33.1 | Very low | 33.6 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 149.3 | 104 | 146.7 | -78.5 | -27 | 0 | 0 | 0 | 111.9 | ||||
| 350 | R | 33.3 | Very low | 33.5 | Very low | 250 Ų | 250 | 143.7 Ų | 143.7 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | trans | -162.6 | 104.7 | 140.7 | -116.3 | 177.1 | -165.5 | 179.9 | 5.5 | 111.6 | ||||
| 351 | T | 26.8 | Very low | 33.5 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -63.9 | 157.6 | 162.1 | -30.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 352 | P | 38.7 | Very low | 33.5 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | -128.7 | 133.2 | 119.1 | 29.7 | -17.9 | 0 | 0 | 0 | 112.3 | |||||
| 353 | Q | 33 | Very low | 33.3 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -47.8 | 142.1 | 161.3 | -68 | 169.2 | -21.1 | 0 | 0 | 108.6 | ||||
| 354 | T | 30.9 | Very low | 33.5 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | 176.5 | 128.5 | 87.5 | -54.8 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 355 | T | 34.5 | Very low | 33.7 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -175.8 | 98 | 136.6 | -58.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 356 | E | 36.2 | Very low | 34.3 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -65.4 | 137.4 | 162.3 | -67.3 | 174.7 | 142.1 | 0 | 0 | 109.4 | ||||
| 357 | S | 34.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | 169.6 | 139.6 | 114.5 | 64.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 358 | V | 33.8 | Very low | 35 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | 75.4 | 97 | 156.5 | -156.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 359 | L | 33.6 | Very low | 35.7 | Very low | 165 Ų | 165 | 145 Ų | 145 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | 176.6 | 97.6 | 102.7 | -163.8 | 71.2 | 0 | 0 | 0 | 110.2 | |||||
| 360 | N | 31.8 | Very low | 36.4 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 165.6 | 164.1 | -89.1 | -24.2 | 0 | 0 | 0 | 110.4 | ||||
| 361 | I | 36.5 | Very low | 36.7 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | 104.4 | 84.7 | 156.7 | -51 | 170 | 0 | 0 | 0 | 115.2 | ||||
| 362 | T | 35.3 | Very low | 37.5 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | 145.2 | 89.9 | 114 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 363 | T | 33.1 | Very low | 37.8 | Very low | 152 Ų | 152 | 149 Ų | 149 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | trans | -81.9 | 118.1 | 157.6 | 29.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 364 | G | 34.5 | Very low | 38.8 | Very low | 52 Ų | 52 | 144.2 Ų | 144.2 | 54% | 0.536 | 77% | 0.774 | S | S | . | * | trans | -164.6 | 116.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 365 | T | 35.7 | Very low | 39.9 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 65.8 | 80.4 | 163.2 | 44.3 | 0 | 0 | 0 | 0 | 118 | ||
| 366 | T | 42 | Very low | 41 | Very low | 104 Ų | 104 | 143 Ų | 143 | 64% | 0.638 | 76% | 0.757 | S | S | * | * | trans | -153.5 | 16.7 | 157.5 | -14.2 | 0 | 0 | 0 | 0 | 117.5 | N368 K369 | T366-N368 VanDerWaalsContact C-N 3.28Å; T366-N368 PolarHBondContact O-N 3.48Å; T366-K369 HydrophobicContact CG2-CB 4.46Å | ||
| 367 | E | 44.2 | Very low | 42 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -12.3 | -176.8 | -80.4 | -175.2 | 146.5 | 0 | 0 | 115.6 | ||
| 368 | N | 45.3 | Very low | 43.6 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 3.2 | -177.4 | -113.7 | -30.8 | 0 | 0 | 0 | 115.6 | T366 | T366-N368 VanDerWaalsContact C-N 3.28Å; T366-N368 PolarHBondContact O-N 3.48Å |
| 369 | K | 43.9 | Very low | 45.4 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 73% | 0.726 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -105.8 | -17.3 | -178.4 | -106.5 | 179 | -179.8 | 173.2 | 0 | 114.8 | T366 | T366-K369 HydrophobicContact CG2-CB 4.46Š|
| 370 | E | 46.7 | Very low | 47.4 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -79.5 | -37.7 | -178.6 | -89.4 | -171.5 | 141.2 | 0 | 0 | 113.5 | R372 K373 S374 | E370-R372 VanDerWaalsContact C-N 3.28Å; E370-R372 PolarHBondContact O-N 3.28Å; E370-K373 PolarHBondContact O-N 2.76Å; E370-K373 VanDerWaalsContact O-N 3.08Å; E370-S374 PolarHBondContact O-N 3.49Å |
| 371 | Q | 41.2 | Very low | 49.5 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.3 | -28.1 | -175.7 | -156.6 | 160.2 | -6.5 | 0 | 0 | 113.1 | ||
| 372 | R | 43.4 | Very low | 51.6 | Low | 227 Ų | 227 | 129.9 Ų | 129.9 | 86% | 0.857 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.2 | -18.3 | 175.7 | -144.7 | 175.4 | -167.8 | 173.7 | 3.5 | 113.6 | E370 | E370-R372 VanDerWaalsContact C-N 3.28Å; E370-R372 PolarHBondContact O-N 3.28Å |
| 373 | K | 45.2 | Very low | 53.9 | Low | 170 Ų | 170 | 127.5 Ų | 127.5 | 74% | 0.739 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -84.4 | -28.1 | 176.4 | -103.7 | 178.3 | 177.8 | 176.4 | 0 | 113.1 | E370 | E370-K373 PolarHBondContact O-N 2.76Å; E370-K373 VanDerWaalsContact O-N 3.08Å |
| 374 | S | 53.7 | Low | 56.2 | Low | 72 Ų | 72 | 123.8 Ų | 123.8 | 50% | 0.503 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.3 | -43.4 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | E370 N376 S377 L378 | E370-S374 PolarHBondContact O-N 3.49Å; S374-N376 VanDerWaalsContact C-N 3.28Å; S374-N376 PolarHBondContact O-N 3.29Å; S374-S377 PolarHBondContact O-N 2.85Å; S374-S377 PolarHBondContact O-OG 3.35Å; S374-L378 PolarHBondContact O-N 3.5Å |
| 375 | N | 52.7 | Low | 58.4 | Low | 115 Ų | 115 | 125 Ų | 125 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.4 | -26.1 | -178.4 | -77.8 | 7.9 | 0 | 0 | 0 | 113.7 | Y379 | N375-Y379 PolarHBondContact O-N 3.22Å |
| 376 | N | 57.4 | Low | 60.7 | Low | 120 Ų | 120 | 122.4 Ų | 122.4 | 64% | 0.642 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75.8 | -26.7 | 179.9 | -114.4 | 35.3 | 0 | 0 | 0 | 113.1 | S374 | S374-N376 VanDerWaalsContact C-N 3.28Å; S374-N376 PolarHBondContact O-N 3.29Å |
| 377 | S | 58.7 | Low | 62.7 | Low | 66 Ų | 66 | 122.4 Ų | 122.4 | 46% | 0.462 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -77.3 | -37 | 174.7 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | S374 Y379 I380 V381 | S374-S377 PolarHBondContact O-N 2.85Å; S374-S377 PolarHBondContact O-OG 3.35Å; S377-Y379 VanDerWaalsContact C-N 3.29Å; S377-Y379 PolarHBondContact O-N 3.45Å; S377-I380 PolarHBondContact O-N 3.04Å; S377-I380 VanDerWaalsContact O-N 3.14Å; S377-V381 WeakPolarHBondContact O-CG2 3.44Å; S377-V381 PolarHBondContact O-N 3.35Å |
| 378 | L | 66.3 | Low | 64.5 | Low | 104 Ų | 104 | 117.3 Ų | 117.3 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.1 | -40.4 | 178.4 | -152.1 | 93.7 | 0 | 0 | 0 | 111.8 | S374 I380 V381 I382 | S374-L378 PolarHBondContact O-N 3.5Å; L378-I380 PolarHBondContact O-N 3.47Å; L378-V381 PolarHBondContact O-N 3.44Å; L378-I382 HydrophobicContact CD2-CD1 3.78Å; L378-I382 HydrophobicContact CG-CD1 3.83Å; L378-I382 HydrophobicContact CG-CG1 4.48Å; L378-I382 WeakPolarHBondContact O-CG1 3.36Å; L378-I382 PolarHBondContact O-N 3.21Å; L378-I382 VanDerWaalsContact O-N 3.16Å |
| 379 | Y | 72.8 | Confident | 66.4 | Low | 190 Ų | 190 | 114.3 Ų | 114.3 | 75% | 0.745 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.7 | -19.9 | 178.8 | -115.3 | -86.5 | 0 | 0 | 0 | 114.5 | N375 S377 P383 | N375-Y379 PolarHBondContact O-N 3.22Å; S377-Y379 VanDerWaalsContact C-N 3.29Å; S377-Y379 PolarHBondContact O-N 3.45Å; Y379-P383 WeakPolarHBondContact O-CD 3.43Å; Y379-P383 VanDerWaalsContact O-CG 3.23Å; Y379-P383 WeakPolarHBondContact O-CG 3.45Å |
| 380 | I | 75.7 | Confident | 68.5 | Low | 103 Ų | 103 | 111.2 Ų | 111.2 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -94.7 | -37.1 | 177.9 | -62.5 | 171.5 | 0 | 0 | 0 | 110.7 | S377 L378 L384 | S377-I380 PolarHBondContact O-N 3.04Å; S377-I380 VanDerWaalsContact O-N 3.14Å; L378-I380 PolarHBondContact O-N 3.47Å; I380-L384 HydrophobicContact CG2-CD1 4.1Å; I380-L384 WeakPolarHBondContact O-CD1 3.5Å; I380-L384 WeakPolarHBondContact O-CG 3.32Å |
| 381 | V | 76.2 | Confident | 70.4 | Confident | 67 Ų | 67 | 107.3 Ų | 107.3 | 41% | 0.406 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71 | -40.9 | -177.6 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | S377 L378 L384 V385 | S377-V381 WeakPolarHBondContact O-CG2 3.44Å; S377-V381 PolarHBondContact O-N 3.35Å; L378-V381 PolarHBondContact O-N 3.44Å; V381-L384 PolarHBondContact O-N 2.84Å; V381-V385 HydrophobicContact CG1-CG2 4.18Å; V381-V385 WeakPolarHBondContact O-CG2 3.22Å; V381-V385 PolarHBondContact O-N 3.2Å |
| 382 | I | 79.8 | Confident | 72.3 | Confident | 87 Ų | 87 | 101.8 Ų | 101.8 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -50 | -177 | -66.3 | 166.7 | 0 | 0 | 0 | 112.1 | L378 L384 V385 I386 | L378-I382 HydrophobicContact CD2-CD1 3.78Å; L378-I382 HydrophobicContact CG-CD1 3.83Å; L378-I382 HydrophobicContact CG-CG1 4.48Å; L378-I382 WeakPolarHBondContact O-CG1 3.36Å; L378-I382 PolarHBondContact O-N 3.21Å; L378-I382 VanDerWaalsContact O-N 3.16Å; I382-L384 VanDerWaalsContact C-N 3.29Å; I382-L384 PolarHBondContact O-N 3.26Å; I382-V385 PolarHBondContact O-N 3.45Å; I382-I386 HydrophobicContact CG2-CD1 3.74Å; I382-I386 HydrophobicContact CG2-CG1 4.44Å; I382-I386 WeakPolarHBondContact O-CG1 3.14Å; I382-I386 PolarHBondContact O-N 3.39Å |
| 383 | P | 84.2 | Confident | 74.5 | Confident | 73 Ų | 73 | 96.5 Ų | 96.5 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -35.1 | 176.9 | -25.1 | 35.1 | 0 | 0 | 0 | 113.6 | Y379 I386 L387 | Y379-P383 WeakPolarHBondContact O-CD 3.43Å; Y379-P383 VanDerWaalsContact O-CG 3.23Å; Y379-P383 WeakPolarHBondContact O-CG 3.45Å; P383-I386 PolarHBondContact O-N 3.41Å; P383-L387 WeakPolarHBondContact O-CB 3.44Å; P383-L387 PolarHBondContact O-N 2.86Å |
| 384 | L | 80.4 | Confident | 76.5 | Confident | 75 Ų | 75 | 90.3 Ų | 90.3 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 177.6 | -74.2 | 171.7 | 0 | 0 | 0 | 112.1 | I380 V381 I382 L387 F388 | I380-L384 HydrophobicContact CG2-CD1 4.1Å; I380-L384 WeakPolarHBondContact O-CD1 3.5Å; I380-L384 WeakPolarHBondContact O-CG 3.32Å; V381-L384 PolarHBondContact O-N 2.84Å; I382-L384 VanDerWaalsContact C-N 3.29Å; I382-L384 PolarHBondContact O-N 3.26Å; L384-L387 PolarHBondContact O-N 2.85Å; L384-F388 WeakPolarHBondContact O-CB 3.43Å; L384-F388 PolarHBondContact O-N 3.33Å |
| 385 | V | 80.9 | Confident | 78 | Confident | 76 Ų | 76 | 89.7 Ų | 89.7 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | V381 I382 F388 L389 | V381-V385 HydrophobicContact CG1-CG2 4.18Å; V381-V385 WeakPolarHBondContact O-CG2 3.22Å; V381-V385 PolarHBondContact O-N 3.2Å; I382-V385 PolarHBondContact O-N 3.45Å; V385-F388 WeakPolarHBondContact O-CB 3.36Å; V385-F388 PolarHBondContact O-N 3.31Å; V385-L389 HydrophobicContact CG1-CD1 4.35Å; V385-L389 WeakPolarHBondContact O-CG 3.14Å; V385-L389 PolarHBondContact O-N 2.99Å |
| 386 | I | 85.1 | Confident | 79.5 | Confident | 89 Ų | 89 | 88.9 Ų | 88.9 | 46% | 0.456 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 176.4 | -66.9 | 169.6 | 0 | 0 | 0 | 110.7 | I382 P383 F388 L389 I390 | I382-I386 HydrophobicContact CG2-CD1 3.74Å; I382-I386 HydrophobicContact CG2-CG1 4.44Å; I382-I386 WeakPolarHBondContact O-CG1 3.14Å; I382-I386 PolarHBondContact O-N 3.39Å; P383-I386 PolarHBondContact O-N 3.41Å; I386-F388 VanDerWaalsContact C-N 3.31Å; I386-F388 PolarHBondContact O-N 3.5Å; I386-L389 PolarHBondContact O-N 3.44Å; I386-I390 HydrophobicContact CG2-CD1 3.87Å; I386-I390 HydrophobicContact CG2-CG1 4.49Å; I386-I390 WeakPolarHBondContact O-CG1 3.4Å; I386-I390 PolarHBondContact O-N 3.24Å |
| 387 | L | 84.1 | Confident | 80.8 | Confident | 105 Ų | 105 | 85.4 Ų | 85.4 | 55% | 0.55 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 177.1 | -172.9 | 69.1 | 0 | 0 | 0 | 111.4 | P383 L384 I390 V391 | P383-L387 WeakPolarHBondContact O-CB 3.44Å; P383-L387 PolarHBondContact O-N 2.86Å; L384-L387 PolarHBondContact O-N 2.85Å; L387-I390 PolarHBondContact O-N 2.97Å; L387-V391 WeakPolarHBondContact O-CG2 3.36Å; L387-V391 PolarHBondContact O-N 3.33Å |
| 388 | F | 80.6 | Confident | 82 | Confident | 83 Ų | 83 | 91 Ų | 91 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 175.5 | 179.4 | -97.8 | 0 | 0 | 0 | 112 | T12 I16 L384 V385 I386 I390 V391 C392 | T12-F388 HydrophobicContact CG2-CE2 4.15Å; T12-F388 HydrophobicContact CG2-CZ 4.26Å; I16-F388 HydrophobicContact CD1-CE2 3.97Å; L384-F388 WeakPolarHBondContact O-CB 3.43Å; L384-F388 PolarHBondContact O-N 3.33Å; V385-F388 WeakPolarHBondContact O-CB 3.36Å; V385-F388 PolarHBondContact O-N 3.31Å; I386-F388 VanDerWaalsContact C-N 3.31Å; I386-F388 PolarHBondContact O-N 3.5Å; F388-I390 VanDerWaalsContact C-N 3.34Å; F388-I390 PolarHBondContact O-N 2.89Å; F388-V391 PolarHBondContact O-N 3.41Å; F388-C392 VanDerWaalsContact CE1-SG 3.6Å; F388-C392 PolarHBondContact O-N 3.27Å; F388-C392 PolarHBondContact O-SG 3.01Å; F388-C392 VanDerWaalsContact O-SG 3.34Å |
| 389 | L | 85.3 | Confident | 82.5 | Confident | 93 Ų | 93 | 89.5 Ų | 89.5 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 176.9 | -70.1 | 173.9 | 0 | 0 | 0 | 112 | V385 I386 C392 I393 | V385-L389 HydrophobicContact CG1-CD1 4.35Å; V385-L389 WeakPolarHBondContact O-CG 3.14Å; V385-L389 PolarHBondContact O-N 2.99Å; I386-L389 PolarHBondContact O-N 3.44Å; L389-C392 PolarHBondContact O-N 3.33Å; L389-I393 WeakPolarHBondContact O-CB 3.32Å; L389-I393 WeakPolarHBondContact O-CD1 3.24Å; L389-I393 WeakPolarHBondContact O-CG1 3.45Å; L389-I393 PolarHBondContact O-N 2.98Å |
| 390 | I | 87.5 | Confident | 82.8 | Confident | 103 Ų | 103 | 87.7 Ų | 87.7 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.4 | -67.4 | 166.8 | 0 | 0 | 0 | 110.9 | I386 L387 F388 I393 G394 | I386-I390 HydrophobicContact CG2-CD1 3.87Å; I386-I390 HydrophobicContact CG2-CG1 4.49Å; I386-I390 WeakPolarHBondContact O-CG1 3.4Å; I386-I390 PolarHBondContact O-N 3.24Å; L387-I390 PolarHBondContact O-N 2.97Å; F388-I390 VanDerWaalsContact C-N 3.34Å; F388-I390 PolarHBondContact O-N 2.89Å; I390-I393 PolarHBondContact O-N 3.41Å; I390-G394 PolarHBondContact O-N 2.96Å |
| 391 | V | 86.4 | Confident | 82.9 | Confident | 76 Ų | 76 | 87.4 Ų | 87.4 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | L387 F388 G394 C395 | L387-V391 WeakPolarHBondContact O-CG2 3.36Å; L387-V391 PolarHBondContact O-N 3.33Å; F388-V391 PolarHBondContact O-N 3.41Å; V391-G394 PolarHBondContact O-N 3.46Å; V391-C395 WeakPolarHBondContact O-CB 3.5Å; V391-C395 PolarHBondContact O-N 3.03Å; V391-C395 PolarHBondContact O-SG 2.88Å; V391-C395 VanDerWaalsContact O-SG 3.41Å |
| 392 | C | 82.9 | Confident | 82.7 | Confident | 43 Ų | 43 | 89.3 Ų | 89.3 | 29% | 0.291 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 176.3 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | F388 L389 G394 C395 V396 | F388-C392 VanDerWaalsContact CE1-SG 3.6Å; F388-C392 PolarHBondContact O-N 3.27Å; F388-C392 PolarHBondContact O-SG 3.01Å; F388-C392 VanDerWaalsContact O-SG 3.34Å; L389-C392 PolarHBondContact O-N 3.33Å; C392-G394 VanDerWaalsContact C-N 3.33Å; C392-G394 PolarHBondContact O-N 3.26Å; C392-C395 PolarHBondContact O-N 3.33Å; C392-V396 VanDerWaalsContact O-CG2 3.31Å; C392-V396 WeakPolarHBondContact O-CG2 3.42Å; C392-V396 PolarHBondContact O-N 3.29Å |
| 393 | I | 88.7 | Confident | 82.2 | Confident | 117 Ų | 117 | 92.4 Ų | 92.4 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 176.5 | -67 | 163.9 | 0 | 0 | 0 | 110.1 | L389 I390 V396 A397 | L389-I393 WeakPolarHBondContact O-CB 3.32Å; L389-I393 WeakPolarHBondContact O-CD1 3.24Å; L389-I393 WeakPolarHBondContact O-CG1 3.45Å; L389-I393 PolarHBondContact O-N 2.98Å; I390-I393 PolarHBondContact O-N 3.41Å; I393-V396 PolarHBondContact O-N 3.01Å; I393-A397 VanDerWaalsContact O-CB 3.27Å; I393-A397 WeakPolarHBondContact O-CB 3.35Å; I393-A397 PolarHBondContact O-N 2.99Å |
| 394 | G | 88.1 | Confident | 81.4 | Confident | 40 Ų | 40 | 96.5 Ų | 96.5 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I390 V391 C392 A397 W398 | I390-G394 PolarHBondContact O-N 2.96Å; V391-G394 PolarHBondContact O-N 3.46Å; C392-G394 VanDerWaalsContact C-N 3.33Å; C392-G394 PolarHBondContact O-N 3.26Å; G394-A397 PolarHBondContact O-N 3.25Å; G394-W398 VanDerWaalsContact O-CB 3.24Å; G394-W398 WeakPolarHBondContact O-CB 3.34Å; G394-W398 PolarHBondContact O-N 2.78Å |
| 395 | C | 84.6 | Confident | 80.5 | Confident | 58 Ų | 58 | 99.8 Ų | 99.8 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.5 | -75.7 | 0 | 0 | 0 | 0 | 112.2 | V391 C392 W398 L399 | V391-C395 WeakPolarHBondContact O-CB 3.5Å; V391-C395 PolarHBondContact O-N 3.03Å; V391-C395 PolarHBondContact O-SG 2.88Å; V391-C395 VanDerWaalsContact O-SG 3.41Å; C392-C395 PolarHBondContact O-N 3.33Å; C395-W398 PolarHBondContact O-N 3.46Å; C395-L399 WeakPolarHBondContact O-CB 3.25Å; C395-L399 WeakPolarHBondContact O-CG 3.32Å; C395-L399 PolarHBondContact O-N 3.45Å |
| 396 | V | 84.1 | Confident | 79.5 | Confident | 98 Ų | 98 | 102 Ų | 102 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.8 | -43.7 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111 | C392 I393 L399 W400 | C392-V396 VanDerWaalsContact O-CG2 3.31Å; C392-V396 WeakPolarHBondContact O-CG2 3.42Å; C392-V396 PolarHBondContact O-N 3.29Å; I393-V396 PolarHBondContact O-N 3.01Å; V396-L399 PolarHBondContact O-N 2.79Å; V396-W400 WeakPolarHBondContact O-CB 3.34Å; V396-W400 PolarHBondContact O-N 3.39Å |
| 397 | A | 84.3 | Confident | 78 | Confident | 47 Ų | 47 | 104.2 Ų | 104.2 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I393 G394 W400 L401 | I393-A397 VanDerWaalsContact O-CB 3.27Å; I393-A397 WeakPolarHBondContact O-CB 3.35Å; I393-A397 PolarHBondContact O-N 2.99Å; G394-A397 PolarHBondContact O-N 3.25Å; A397-W400 PolarHBondContact O-N 3.33Å; A397-L401 WeakPolarHBondContact O-CB 3.49Å; A397-L401 WeakPolarHBondContact O-CG 3.38Å; A397-L401 PolarHBondContact O-N 3.36Å |
| 398 | W | 83.3 | Confident | 76.3 | Confident | 183 Ų | 183 | 102.2 Ų | 102.2 | 69% | 0.693 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 176.2 | -176.4 | 34.6 | 0 | 0 | 0 | 111.9 | G394 C395 W400 L401 Y402 | G394-W398 VanDerWaalsContact O-CB 3.24Å; G394-W398 WeakPolarHBondContact O-CB 3.34Å; G394-W398 PolarHBondContact O-N 2.78Å; C395-W398 PolarHBondContact O-N 3.46Å; W398-W400 VanDerWaalsContact C-N 3.32Å; W398-W400 PolarHBondContact O-N 3.18Å; W398-L401 PolarHBondContact O-N 2.92Å; W398-Y402 VanDerWaalsContact O-CB 3.23Å; W398-Y402 WeakPolarHBondContact O-CB 3.47Å; W398-Y402 PolarHBondContact O-N 2.88Å |
| 399 | L | 76.8 | Confident | 75 | Confident | 73 Ų | 73 | 101.8 Ų | 101.8 | 38% | 0.382 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 173.7 | -75.9 | 169.3 | 0 | 0 | 0 | 112.2 | C395 V396 R403 | C395-L399 WeakPolarHBondContact O-CB 3.25Å; C395-L399 WeakPolarHBondContact O-CG 3.32Å; C395-L399 PolarHBondContact O-N 3.45Å; V396-L399 PolarHBondContact O-N 2.79Å; L399-R403 WeakPolarHBondContact O-CB 3.32Å; L399-R403 WeakPolarHBondContact O-CG 3.32Å; L399-R403 PolarHBondContact O-N 2.81Å |
| 400 | W | 79.8 | Confident | 73.5 | Confident | 153 Ų | 153 | 105.4 Ų | 105.4 | 58% | 0.58 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.4 | -43.9 | 177.5 | -170.6 | 81 | 0 | 0 | 0 | 111.5 | V396 A397 W398 R403 R404 | V396-W400 WeakPolarHBondContact O-CB 3.34Å; V396-W400 PolarHBondContact O-N 3.39Å; A397-W400 PolarHBondContact O-N 3.33Å; W398-W400 VanDerWaalsContact C-N 3.32Å; W398-W400 PolarHBondContact O-N 3.18Å; W400-R403 PolarHBondContact O-N 3.29Å; W400-R404 WeakPolarHBondContact O-CB 3.48Å; W400-R404 PolarHBondContact O-N 3.42Å |
| 401 | L | 77 | Confident | 72 | Confident | 97 Ų | 97 | 105.6 Ų | 105.6 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 174 | -70.9 | 173.6 | 0 | 0 | 0 | 111.7 | A397 W398 R403 R404 E405 | A397-L401 WeakPolarHBondContact O-CB 3.49Å; A397-L401 WeakPolarHBondContact O-CG 3.38Å; A397-L401 PolarHBondContact O-N 3.36Å; W398-L401 PolarHBondContact O-N 2.92Å; L401-R403 PolarHBondContact O-N 2.92Å; L401-R404 WeakPolarHBondContact O-CB 3.32Å; L401-R404 PolarHBondContact O-N 3.18Å; L401-R404 VanDerWaalsContact O-N 3.11Å; L401-E405 PolarHBondContact O-N 3.38Å |
| 402 | Y | 72.8 | Confident | 70.3 | Confident | 106 Ų | 106 | 110.3 Ų | 110.3 | 42% | 0.416 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 177.1 | -176 | -99.9 | 0 | 0 | 0 | 112.1 | W398 E405 K406 | W398-Y402 VanDerWaalsContact O-CB 3.23Å; W398-Y402 WeakPolarHBondContact O-CB 3.47Å; W398-Y402 PolarHBondContact O-N 2.88Å; Y402-E405 PolarHBondContact O-N 3.15Å; Y402-K406 HydrophobicContact CE1-CD 3.76Å; Y402-K406 PolarHBondContact O-N 3.26Å; Y402-K406 WeakPolarHBondContact OH-CE 3.39Å; Y402-K406 PolarHBondContact OH-NZ 3.06Å |
| 403 | R | 69.5 | Low | 69.1 | Low | 152 Ų | 152 | 115 Ų | 115 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 172.4 | -81 | -173.2 | -177 | -172.8 | 1.4 | 111.6 | L399 W400 L401 E405 K406 I407 | L399-R403 WeakPolarHBondContact O-CB 3.32Å; L399-R403 WeakPolarHBondContact O-CG 3.32Å; L399-R403 PolarHBondContact O-N 2.81Å; W400-R403 PolarHBondContact O-N 3.29Å; L401-R403 PolarHBondContact O-N 2.92Å; R403-E405 VanDerWaalsContact C-N 3.29Å; R403-E405 PolarHBondContact O-N 3.4Å; R403-K406 PolarHBondContact O-N 2.9Å; R403-I407 HydrophobicContact CB-CD1 4.27Å; R403-I407 VanDerWaalsContact O-CB 3.29Å; R403-I407 WeakPolarHBondContact O-CB 3.45Å; R403-I407 WeakPolarHBondContact O-CD1 3.17Å; R403-I407 WeakPolarHBondContact O-CG1 3.37Å; R403-I407 PolarHBondContact O-N 3.47Å |
| 404 | R | 68.1 | Low | 67.7 | Low | 160 Ų | 160 | 111.2 Ų | 111.2 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.2 | -36.3 | -179.6 | -162.2 | 175.4 | -175.3 | -176.6 | -0 | 112.1 | W400 L401 | W400-R404 WeakPolarHBondContact O-CB 3.48Å; W400-R404 PolarHBondContact O-N 3.42Å; L401-R404 WeakPolarHBondContact O-CB 3.32Å; L401-R404 PolarHBondContact O-N 3.18Å; L401-R404 VanDerWaalsContact O-N 3.11Å |
| 405 | E | 61.2 | Low | 66.1 | Low | 144 Ų | 144 | 116.7 Ų | 116.7 | 67% | 0.673 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.8 | -38.6 | 178.1 | -155.2 | 169.4 | -162.7 | 0 | 0 | 112 | L401 Y402 R403 | L401-E405 PolarHBondContact O-N 3.38Å; Y402-E405 PolarHBondContact O-N 3.15Å; R403-E405 VanDerWaalsContact C-N 3.29Å; R403-E405 PolarHBondContact O-N 3.4Å |
| 406 | K | 58.2 | Low | 65.3 | Low | 122 Ų | 122 | 118.3 Ų | 118.3 | 53% | 0.53 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -76.4 | -26.7 | 175.9 | -86.9 | -167.4 | 167 | -179.5 | 0 | 115.1 | Y402 R403 N408 P409 | Y402-K406 HydrophobicContact CE1-CD 3.76Å; Y402-K406 PolarHBondContact O-N 3.26Å; Y402-K406 WeakPolarHBondContact OH-CE 3.39Å; Y402-K406 PolarHBondContact OH-NZ 3.06Å; R403-K406 PolarHBondContact O-N 2.9Å; K406-N408 PolarHBondContact O-N 3.16Å; K406-P409 VanDerWaalsContact O-CD 3.31Å; K406-P409 WeakPolarHBondContact O-CD 3.32Å |
| 407 | I | 55.1 | Low | 64.4 | Low | 135 Ų | 135 | 122.6 Ų | 122.6 | 69% | 0.692 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -9.7 | 176.7 | -70.1 | 166.1 | 0 | 0 | 0 | 111.3 | R403 | R403-I407 HydrophobicContact CB-CD1 4.27Å; R403-I407 VanDerWaalsContact O-CB 3.29Å; R403-I407 WeakPolarHBondContact O-CB 3.45Å; R403-I407 WeakPolarHBondContact O-CD1 3.17Å; R403-I407 WeakPolarHBondContact O-CG1 3.37Å; R403-I407 PolarHBondContact O-N 3.47Å |
| 408 | N | 47.6 | Very low | 63.5 | Low | 64 Ų | 64 | 127.2 Ų | 127.2 | 34% | 0.342 | 56% | 0.564 | S | S | . | * | trans | -133.8 | 45.2 | -171.5 | -133.4 | -11.9 | 0 | 0 | 0 | 118.6 | K406 Y410 L411 | K406-N408 PolarHBondContact O-N 3.16Å; N408-Y410 PolarHBondContact O-N 3.28Å; N408-L411 WeakPolarHBondContact ND2-CD1 3.38Å; N408-L411 WeakPolarHBondContact OD1-CB 3.05Å; N408-L411 WeakPolarHBondContact OD1-CD1 3.38Å; N408-L411 VanDerWaalsContact OD1-CG 3.23Å; N408-L411 WeakPolarHBondContact OD1-CG 3.23Å; N408-L411 PolarHBondContact OD1-N 3.36Å | ||
| 409 | P | 53.8 | Low | 62.9 | Low | 73 Ų | 73 | 123.8 Ų | 123.8 | 47% | 0.474 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.6 | -17.5 | 168.5 | 26.9 | -32.1 | 0 | 0 | 0 | 112.9 | K406 | K406-P409 VanDerWaalsContact O-CD 3.31Å; K406-P409 WeakPolarHBondContact O-CD 3.32Å |
| 410 | Y | 52.6 | Low | 62.1 | Low | 169 Ų | 169 | 127.1 Ų | 127.1 | 66% | 0.663 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -81.6 | -36.2 | 177.8 | -79.8 | -84 | 0 | 0 | 0 | 114 | N408 R412 K413 A414 | N408-Y410 PolarHBondContact O-N 3.28Å; Y410-R412 VanDerWaalsContact C-N 3.35Å; Y410-R412 PolarHBondContact O-N 3.43Å; Y410-K413 PolarHBondContact O-N 3.41Å; Y410-A414 PolarHBondContact O-N 3.07Å |
| 411 | L | 56 | Low | 61.2 | Low | 107 Ų | 107 | 125.9 Ų | 125.9 | 56% | 0.56 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.6 | -26 | 176.5 | -80.6 | 163.6 | 0 | 0 | 0 | 113.1 | N408 A414 Y415 | N408-L411 WeakPolarHBondContact ND2-CD1 3.38Å; N408-L411 WeakPolarHBondContact OD1-CB 3.05Å; N408-L411 WeakPolarHBondContact OD1-CD1 3.38Å; N408-L411 VanDerWaalsContact OD1-CG 3.23Å; N408-L411 WeakPolarHBondContact OD1-CG 3.23Å; N408-L411 PolarHBondContact OD1-N 3.36Å; L411-A414 PolarHBondContact O-N 3.28Å; L411-Y415 WeakPolarHBondContact O-CB 3.48Å; L411-Y415 PolarHBondContact O-N 3.28Å |
| 412 | R | 51.9 | Low | 60.4 | Low | 176 Ų | 176 | 127.4 Ų | 127.4 | 66% | 0.664 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -42.9 | 172.1 | -156.6 | 176 | -156.5 | -179.9 | 8.6 | 111.7 | Y410 A414 Y415 D416 | Y410-R412 VanDerWaalsContact C-N 3.35Å; Y410-R412 PolarHBondContact O-N 3.43Å; R412-A414 VanDerWaalsContact C-N 3.29Å; R412-A414 PolarHBondContact O-N 3.48Å; R412-Y415 PolarHBondContact O-N 3.33Å; R412-D416 VanDerWaalsContact O-CB 3.31Å; R412-D416 WeakPolarHBondContact O-CB 3.26Å; R412-D416 PolarHBondContact O-N 2.95Å |
| 413 | K | 58.2 | Low | 59.7 | Low | 140 Ų | 140 | 128.6 Ų | 128.6 | 61% | 0.609 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.1 | -20.1 | 173.7 | -78.7 | -174.9 | 178.4 | 178 | 0 | 114.4 | Y410 R417 | Y410-K413 PolarHBondContact O-N 3.41Å; K413-R417 WeakPolarHBondContact O-CB 3.34Å; K413-R417 PolarHBondContact O-NE 3.14Å |
| 414 | A | 57.8 | Low | 59.1 | Low | 39 Ų | 39 | 127.2 Ų | 127.2 | 32% | 0.322 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -85.2 | -38.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y410 L411 R412 R417 L418 | Y410-A414 PolarHBondContact O-N 3.07Å; L411-A414 PolarHBondContact O-N 3.28Å; R412-A414 VanDerWaalsContact C-N 3.29Å; R412-A414 PolarHBondContact O-N 3.48Å; A414-R417 PolarHBondContact O-N 3.14Å; A414-L418 WeakPolarHBondContact O-CB 3.35Å; A414-L418 WeakPolarHBondContact O-CD1 3.49Å; A414-L418 WeakPolarHBondContact O-CG 3.45Å; A414-L418 PolarHBondContact O-N 3.47Å |
| 415 | Y | 55.3 | Low | 58.6 | Low | 154 Ų | 154 | 125.1 Ų | 125.1 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.3 | -43 | 175.6 | -171.1 | -101.9 | 0 | 0 | 0 | 111.8 | L411 R412 R417 L418 I419 | L411-Y415 WeakPolarHBondContact O-CB 3.48Å; L411-Y415 PolarHBondContact O-N 3.28Å; R412-Y415 PolarHBondContact O-N 3.33Å; Y415-R417 PolarHBondContact O-N 3.44Å; Y415-L418 PolarHBondContact O-N 3.25Å; Y415-I419 HydrophobicContact CD1-CD1 3.71Å; Y415-I419 HydrophobicContact CD2-CD1 4.24Å; Y415-I419 HydrophobicContact CE1-CD1 3.16Å; Y415-I419 HydrophobicContact CE1-CG1 4.44Å; Y415-I419 HydrophobicContact CE2-CD1 3.75Å; Y415-I419 HydrophobicContact CG-CD1 4.22Å; Y415-I419 WeakPolarHBondContact O-CG1 3.35Å; Y415-I419 PolarHBondContact O-N 3.33Å; Y415-I419 VanDerWaalsContact O-N 3.08Å; Y415-I419 WeakPolarHBondContact OH-CD1 3.4Å |
| 416 | D | 68.2 | Low | 58.4 | Low | 92 Ų | 92 | 123.9 Ų | 123.9 | 49% | 0.492 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.4 | -28.8 | 175.2 | -66.5 | -19.6 | 0 | 0 | 0 | 111.7 | R412 S420 | R412-D416 VanDerWaalsContact O-CB 3.31Å; R412-D416 WeakPolarHBondContact O-CB 3.26Å; R412-D416 PolarHBondContact O-N 2.95Å; D416-S420 WeakPolarHBondContact O-CB 3.12Å; D416-S420 PolarHBondContact O-N 3.08Å; D416-S420 PolarHBondContact O-OG 3.2Å |
| 417 | R | 64.4 | Low | 58.4 | Low | 188 Ų | 188 | 124 Ų | 124 | 71% | 0.709 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81.5 | -13.1 | 171.7 | -89.1 | -168.6 | -86.6 | -166.2 | -5.8 | 114.8 | K413 A414 Y415 | K413-R417 WeakPolarHBondContact O-CB 3.34Å; K413-R417 PolarHBondContact O-NE 3.14Å; A414-R417 PolarHBondContact O-N 3.14Å; Y415-R417 PolarHBondContact O-N 3.44Å |
| 418 | L | 65.7 | Low | 58.7 | Low | 145 Ų | 145 | 123.2 Ų | 123.2 | 76% | 0.759 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -93.8 | -11.9 | 173 | -79.8 | 163 | 0 | 0 | 0 | 111.8 | A414 Y415 | A414-L418 WeakPolarHBondContact O-CB 3.35Å; A414-L418 WeakPolarHBondContact O-CD1 3.49Å; A414-L418 WeakPolarHBondContact O-CG 3.45Å; A414-L418 PolarHBondContact O-N 3.47Å; Y415-L418 PolarHBondContact O-N 3.25Å |
| 419 | I | 70.2 | Confident | 59.6 | Low | 111 Ų | 111 | 128.1 Ų | 128.1 | 57% | 0.569 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -112.9 | -17.4 | -178.9 | -65.2 | -177.9 | 0 | 0 | 0 | 112.8 | Y415 | Y415-I419 HydrophobicContact CD1-CD1 3.71Å; Y415-I419 HydrophobicContact CD2-CD1 4.24Å; Y415-I419 HydrophobicContact CE1-CD1 3.16Å; Y415-I419 HydrophobicContact CE1-CG1 4.44Å; Y415-I419 HydrophobicContact CE2-CD1 3.75Å; Y415-I419 HydrophobicContact CG-CD1 4.22Å; Y415-I419 WeakPolarHBondContact O-CG1 3.35Å; Y415-I419 PolarHBondContact O-N 3.33Å; Y415-I419 VanDerWaalsContact O-N 3.08Å; Y415-I419 WeakPolarHBondContact OH-CD1 3.4Å |
| 420 | S | 61.2 | Low | 60.1 | Low | 143 Ų | 143 | 133.1 Ų | 133.1 | 100% | 1 | 63% | 0.632 | S | S | * | * | trans | -85.9 | 0 | 161.9 | 77.8 | 0 | 0 | 0 | 0 | 111 | D416 | D416-S420 WeakPolarHBondContact O-CB 3.12Å; D416-S420 PolarHBondContact O-N 3.08Å; D416-S420 PolarHBondContact O-OG 3.2Å |
Retrieved 420 of 420 residues in 232.5 ms
(Link to these results)