| 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 | 71.5 | Confident | 86.2 | Confident | 189 Ų | 189 | 109.7 Ų | 109.7 | 93% | 0.931 | 59% | 0.588 | S | S | * | * | 0 | -64.4 | 0 | -71 | -83.7 | -84.8 | 0 | 0 | 111.3 | A3 L4 I5 | M1-A3 PolarHBondContact O-N 2.76Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-I5 PolarHBondContact O-N 3.17Å | |||
| 2 | I | 84.5 | Confident | 86.4 | Confident | 135 Ų | 135 | 105.3 Ų | 105.3 | 69% | 0.692 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -56.8 | -45.5 | -176.8 | -63.6 | 164.5 | 0 | 0 | 0 | 112.9 | L4 I5 C6 | I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 2.85Å; I2-I5 WeakPolarHBondContact O-CB 3.48Å; I2-I5 PolarHBondContact O-N 3Å; I2-C6 PolarHBondContact O-N 3.37Å; I2-C6 PolarHBondContact O-SG 3.17Å |
| 3 | A | 82.4 | Confident | 86.5 | Confident | 68 Ų | 68 | 109.9 Ų | 109.9 | 56% | 0.562 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.3 | -38.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 C6 I7 | M1-A3 PolarHBondContact O-N 2.76Å; A3-C6 PolarHBondContact O-N 2.79Å; A3-I7 VanDerWaalsContact O-CG1 3.29Å; A3-I7 WeakPolarHBondContact O-CG1 3.21Å; A3-I7 PolarHBondContact O-N 3.29Å |
| 4 | L | 84.6 | Confident | 86.1 | Confident | 128 Ų | 128 | 106.2 Ų | 106.2 | 67% | 0.67 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68 | -38.5 | 178.1 | -68.9 | 174 | 0 | 0 | 0 | 111.5 | M1 I2 I7 F8 | M1-L4 PolarHBondContact O-N 2.93Å; I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 2.85Å; L4-I7 PolarHBondContact O-N 3.07Å; L4-F8 WeakPolarHBondContact O-CB 3.29Å; L4-F8 PolarHBondContact O-N 2.83Å |
| 5 | I | 88.9 | Confident | 85.9 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.8 | -44.6 | 174.9 | -62.5 | 167 | 0 | 0 | 0 | 109.8 | M1 I2 I7 F8 I9 | M1-I5 PolarHBondContact O-N 3.17Å; I2-I5 WeakPolarHBondContact O-CB 3.48Å; I2-I5 PolarHBondContact O-N 3Å; I5-I7 PolarHBondContact O-N 3.19Å; I5-F8 PolarHBondContact O-N 2.88Å; I5-I9 HydrophobicContact CG2-CD1 4.01Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 3.24Å |
| 6 | C | 88.5 | Confident | 85.7 | Confident | 64 Ų | 64 | 111.4 Ų | 111.4 | 43% | 0.432 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.2 | -45 | 177.2 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | I2 A3 F8 I9 I10 | I2-C6 PolarHBondContact O-N 3.37Å; I2-C6 PolarHBondContact O-SG 3.17Å; A3-C6 PolarHBondContact O-N 2.79Å; C6-F8 VanDerWaalsContact C-N 3.35Å; C6-F8 PolarHBondContact O-N 3.46Å; C6-I9 PolarHBondContact O-N 2.78Å; C6-I10 WeakPolarHBondContact O-CG1 3.39Å; C6-I10 PolarHBondContact O-N 2.76Å |
| 7 | I | 89.7 | Confident | 85.2 | Confident | 98 Ų | 98 | 111.9 Ų | 111.9 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.8 | -45.8 | 177.2 | -67.5 | 164.7 | 0 | 0 | 0 | 110.3 | A3 L4 I5 I9 I10 C11 | A3-I7 VanDerWaalsContact O-CG1 3.29Å; A3-I7 WeakPolarHBondContact O-CG1 3.21Å; A3-I7 PolarHBondContact O-N 3.29Å; L4-I7 PolarHBondContact O-N 3.07Å; I5-I7 PolarHBondContact O-N 3.19Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 3.3Å; I7-I10 PolarHBondContact O-N 3.05Å; I7-C11 WeakPolarHBondContact O-CB 3.49Å; I7-C11 PolarHBondContact O-N 3.3Å; I7-C11 PolarHBondContact O-SG 3.12Å; I7-C11 VanDerWaalsContact O-SG 3.37Å |
| 8 | F | 89.5 | Confident | 84.4 | Confident | 148 Ų | 148 | 116.1 Ų | 116.1 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.6 | -44.1 | 179.3 | -165.1 | -93.9 | 0 | 0 | 0 | 111.9 | L4 I5 C6 C11 C12 | L4-F8 WeakPolarHBondContact O-CB 3.29Å; L4-F8 PolarHBondContact O-N 2.83Å; I5-F8 PolarHBondContact O-N 2.88Å; C6-F8 VanDerWaalsContact C-N 3.35Å; C6-F8 PolarHBondContact O-N 3.46Å; F8-C11 PolarHBondContact O-N 2.82Å; F8-C12 WeakPolarHBondContact CE1-SG 3.45Å; F8-C12 WeakPolarHBondContact O-CB 3.13Å; F8-C12 PolarHBondContact O-N 3.37Å; F8-C12 PolarHBondContact O-SG 3.3Å |
| 9 | I | 89.7 | Confident | 83.7 | Confident | 105 Ų | 105 | 119.4 Ų | 119.4 | 54% | 0.538 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.9 | -45.7 | 177.5 | -67.8 | 172 | 0 | 0 | 0 | 111.3 | I5 C6 I7 C12 Y13 | I5-I9 HydrophobicContact CG2-CD1 4.01Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 3.24Å; C6-I9 PolarHBondContact O-N 2.78Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 3.3Å; I9-C12 PolarHBondContact O-N 2.71Å; I9-Y13 WeakPolarHBondContact O-CB 3.1Å; I9-Y13 PolarHBondContact O-N 3.16Å |
| 10 | I | 90.3 | Very high | 83.2 | Confident | 115 Ų | 115 | 119.2 Ų | 119.2 | 59% | 0.59 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.9 | -43.3 | 179.3 | -66.2 | 166.2 | 0 | 0 | 0 | 110.7 | C6 I7 Y13 S14 | C6-I10 WeakPolarHBondContact O-CG1 3.39Å; C6-I10 PolarHBondContact O-N 2.76Å; I7-I10 PolarHBondContact O-N 3.05Å; I10-Y13 PolarHBondContact O-N 3.31Å; I10-S14 PolarHBondContact O-N 3.45Å; I10-S14 PolarHBondContact O-OG 3.13Å |
| 11 | C | 88.9 | Confident | 82.3 | Confident | 57 Ų | 57 | 117.1 Ų | 117.1 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.7 | -48.7 | 175.3 | -73.2 | 0 | 0 | 0 | 0 | 111.4 | I7 F8 Y13 S14 Q15 | I7-C11 WeakPolarHBondContact O-CB 3.49Å; I7-C11 PolarHBondContact O-N 3.3Å; I7-C11 PolarHBondContact O-SG 3.12Å; I7-C11 VanDerWaalsContact O-SG 3.37Å; F8-C11 PolarHBondContact O-N 2.82Å; C11-Y13 VanDerWaalsContact C-N 3.31Å; C11-Y13 PolarHBondContact O-N 3.36Å; C11-S14 PolarHBondContact O-N 3.32Å; C11-S14 PolarHBondContact O-OG 3.13Å; C11-Q15 WeakPolarHBondContact O-CG 3.48Å; C11-Q15 PolarHBondContact O-N 2.99Å |
| 12 | C | 88.2 | Confident | 81.9 | Confident | 57 Ų | 57 | 113.9 Ų | 113.9 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.5 | -40.5 | 176.3 | -73.1 | 0 | 0 | 0 | 0 | 112.3 | F8 I9 Q15 R16 | F8-C12 WeakPolarHBondContact CE1-SG 3.45Å; F8-C12 WeakPolarHBondContact O-CB 3.13Å; F8-C12 PolarHBondContact O-N 3.37Å; F8-C12 PolarHBondContact O-SG 3.3Å; I9-C12 PolarHBondContact O-N 2.71Å; C12-Q15 PolarHBondContact O-N 3.17Å; C12-R16 WeakPolarHBondContact O-CB 3.15Å; C12-R16 PolarHBondContact O-N 2.79Å |
| 13 | Y | 88.3 | Confident | 80.7 | Confident | 165 Ų | 165 | 113.7 Ų | 113.7 | 65% | 0.647 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.8 | -45.8 | 177.5 | -175.3 | -102.1 | 0 | 0 | 0 | 112 | I9 I10 C11 Q15 R16 K17 | I9-Y13 WeakPolarHBondContact O-CB 3.1Å; I9-Y13 PolarHBondContact O-N 3.16Å; I10-Y13 PolarHBondContact O-N 3.31Å; C11-Y13 VanDerWaalsContact C-N 3.31Å; C11-Y13 PolarHBondContact O-N 3.36Å; Y13-Q15 PolarHBondContact O-N 3.48Å; Y13-R16 PolarHBondContact O-N 3.26Å; Y13-K17 PolarHBondContact O-N 3.27Å; Y13-K17 VanDerWaalsContact O-N 3.07Å |
| 14 | S | 81.3 | Confident | 79.5 | Confident | 58 Ų | 58 | 119.4 Ų | 119.4 | 41% | 0.406 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64 | -39.7 | 178.7 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | I10 C11 K17 R18 | I10-S14 PolarHBondContact O-N 3.45Å; I10-S14 PolarHBondContact O-OG 3.13Å; C11-S14 PolarHBondContact O-N 3.32Å; C11-S14 PolarHBondContact O-OG 3.13Å; S14-K17 PolarHBondContact O-N 3.21Å; S14-R18 PolarHBondContact O-N 2.9Å |
| 15 | Q | 82.4 | Confident | 77.8 | Confident | 115 Ų | 115 | 119.4 Ų | 119.4 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67 | -42 | 176.6 | -70.5 | -176.6 | 18.4 | 0 | 0 | 112 | C11 C12 Y13 K17 R18 R19 | C11-Q15 WeakPolarHBondContact O-CG 3.48Å; C11-Q15 PolarHBondContact O-N 2.99Å; C12-Q15 PolarHBondContact O-N 3.17Å; Y13-Q15 PolarHBondContact O-N 3.48Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 3.22Å; Q15-R18 PolarHBondContact O-N 3.01Å; Q15-R19 PolarHBondContact O-N 2.67Å |
| 16 | R | 83.4 | Confident | 75.9 | Confident | 180 Ų | 180 | 117.2 Ų | 117.2 | 68% | 0.679 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 177.2 | -166.9 | 174.2 | -175.3 | 175.6 | 0.7 | 111.4 | C12 Y13 R19 Q20 | C12-R16 WeakPolarHBondContact O-CB 3.15Å; C12-R16 PolarHBondContact O-N 2.79Å; Y13-R16 PolarHBondContact O-N 3.26Å; R16-R19 PolarHBondContact O-N 3.28Å; R16-Q20 WeakPolarHBondContact O-CG 3.14Å; R16-Q20 PolarHBondContact O-N 2.96Å |
| 17 | K | 76.4 | Confident | 74 | Confident | 120 Ų | 120 | 117.6 Ų | 117.6 | 52% | 0.522 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 176.9 | -164.7 | 171.3 | -175.9 | 178.3 | 0 | 112.3 | Y13 S14 Q15 Q20 L21 | Y13-K17 PolarHBondContact O-N 3.27Å; Y13-K17 VanDerWaalsContact O-N 3.07Å; S14-K17 PolarHBondContact O-N 3.21Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 3.22Å; K17-Q20 PolarHBondContact O-N 2.89Å; K17-L21 WeakPolarHBondContact O-CG 3.49Å; K17-L21 PolarHBondContact O-N 3.21Å |
| 18 | R | 70.9 | Confident | 71.8 | Confident | 188 Ų | 188 | 118.6 Ų | 118.6 | 71% | 0.709 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.4 | -42 | 173.4 | -77.3 | -169.2 | -179.2 | -167.9 | 1.9 | 112.5 | S14 Q15 L21 L22 | S14-R18 PolarHBondContact O-N 2.9Å; Q15-R18 PolarHBondContact O-N 3.01Å; R18-L21 PolarHBondContact O-N 3.17Å; R18-L22 WeakPolarHBondContact O-CB 3.42Å; R18-L22 WeakPolarHBondContact O-CG 3.21Å; R18-L22 PolarHBondContact O-N 2.77Å |
| 19 | R | 71.3 | Confident | 69.6 | Low | 179 Ų | 179 | 117.1 Ų | 117.1 | 68% | 0.675 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.9 | -40.3 | 176.1 | -74.2 | -175.4 | 177.9 | -175.5 | 0.3 | 112.2 | Q15 R16 L22 M23 | Q15-R19 PolarHBondContact O-N 2.67Å; R16-R19 PolarHBondContact O-N 3.28Å; R19-L22 PolarHBondContact O-N 2.94Å; R19-M23 VanDerWaalsContact O-CB 3.27Å; R19-M23 WeakPolarHBondContact O-CB 3.21Å; R19-M23 WeakPolarHBondContact O-CG 3.33Å; R19-M23 PolarHBondContact O-N 2.74Å |
| 20 | Q | 73.6 | Confident | 67.3 | Low | 114 Ų | 114 | 117.5 Ų | 117.5 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -40.7 | 174.7 | -76.6 | 179.2 | -3.6 | 0 | 0 | 112.4 | R16 K17 R24 | R16-Q20 WeakPolarHBondContact O-CG 3.14Å; R16-Q20 PolarHBondContact O-N 2.96Å; K17-Q20 PolarHBondContact O-N 2.89Å; Q20-R24 WeakPolarHBondContact O-CB 3.4Å; Q20-R24 WeakPolarHBondContact O-CG 3.45Å; Q20-R24 PolarHBondContact O-N 3.42Å |
| 21 | L | 64.9 | Low | 64.7 | Low | 77 Ų | 77 | 117.9 Ų | 117.9 | 40% | 0.403 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.9 | -48.5 | 175.8 | -73.9 | 168.4 | 0 | 0 | 0 | 111.1 | K17 R18 M23 R24 Y25 | K17-L21 WeakPolarHBondContact O-CG 3.49Å; K17-L21 PolarHBondContact O-N 3.21Å; R18-L21 PolarHBondContact O-N 3.17Å; L21-M23 VanDerWaalsContact C-N 3.34Å; L21-M23 PolarHBondContact O-N 2.54Å; L21-R24 CarbonylContact O-C 3.57Å; L21-R24 PolarHBondContact O-N 2.84Å; L21-R24 VanDerWaalsContact O-N 3.09Å; L21-Y25 HydrophobicContact CB-CD2 4.36Å; L21-Y25 HydrophobicContact CB-CE2 4.23Å; L21-Y25 HydrophobicContact CD2-CE2 4.11Å; L21-Y25 WeakPolarHBondContact O-CD2 3.27Å; L21-Y25 PolarHBondContact O-N 2.76Å |
| 22 | L | 61.7 | Low | 62.2 | Low | 121 Ų | 121 | 119 Ų | 119 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.7 | -41.2 | 177 | -79.1 | 167.4 | 0 | 0 | 0 | 112.2 | R18 R19 Y25 A26 | R18-L22 WeakPolarHBondContact O-CB 3.42Å; R18-L22 WeakPolarHBondContact O-CG 3.21Å; R18-L22 PolarHBondContact O-N 2.77Å; R19-L22 PolarHBondContact O-N 2.94Å; L22-Y25 PolarHBondContact O-N 3.27Å; L22-A26 WeakPolarHBondContact O-CB 3Å; L22-A26 PolarHBondContact O-N 3.35Å |
| 23 | M | 59.6 | Low | 59.6 | Low | 130 Ų | 130 | 122 Ų | 122 | 64% | 0.64 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.8 | -48.2 | 171.4 | -74.1 | -97 | -163.9 | 0 | 0 | 110.2 | R19 L21 Y25 A26 T27 | R19-M23 VanDerWaalsContact O-CB 3.27Å; R19-M23 WeakPolarHBondContact O-CB 3.21Å; R19-M23 WeakPolarHBondContact O-CG 3.33Å; R19-M23 PolarHBondContact O-N 2.74Å; L21-M23 VanDerWaalsContact C-N 3.34Å; L21-M23 PolarHBondContact O-N 2.54Å; M23-Y25 VanDerWaalsContact C-N 3.34Å; M23-Y25 PolarHBondContact O-N 2.95Å; M23-A26 PolarHBondContact O-N 3.09Å; M23-T27 WeakPolarHBondContact O-CA 3.45Å; M23-T27 WeakPolarHBondContact O-CB 3.38Å; M23-T27 PolarHBondContact O-N 2.89Å; M23-T27 PolarHBondContact O-OG1 2.6Å |
| 24 | R | 56.6 | Low | 57.2 | Low | 189 Ų | 189 | 120.1 Ų | 120.1 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -58.3 | -44.4 | 176.1 | -79 | -170.2 | 175.2 | -169.7 | -1 | 112.2 | Q20 L21 T28 | Q20-R24 WeakPolarHBondContact O-CB 3.4Å; Q20-R24 WeakPolarHBondContact O-CG 3.45Å; Q20-R24 PolarHBondContact O-N 3.42Å; L21-R24 CarbonylContact O-C 3.57Å; L21-R24 PolarHBondContact O-N 2.84Å; L21-R24 VanDerWaalsContact O-N 3.09Å; R24-T28 WeakPolarHBondContact O-CB 2.99Å; R24-T28 PolarHBondContact O-N 2.82Å; R24-T28 PolarHBondContact O-OG1 3.26Å |
| 25 | Y | 50.5 | Low | 54.8 | Low | 128 Ų | 128 | 125.1 Ų | 125.1 | 50% | 0.502 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.4 | -36.6 | 178.5 | -69 | -68.8 | 0 | 0 | 0 | 112.6 | L21 L22 M23 T29 N67 | L21-Y25 HydrophobicContact CB-CD2 4.36Å; L21-Y25 HydrophobicContact CB-CE2 4.23Å; L21-Y25 HydrophobicContact CD2-CE2 4.11Å; L21-Y25 WeakPolarHBondContact O-CD2 3.27Å; L21-Y25 PolarHBondContact O-N 2.76Å; L22-Y25 PolarHBondContact O-N 3.27Å; M23-Y25 VanDerWaalsContact C-N 3.34Å; M23-Y25 PolarHBondContact O-N 2.95Å; Y25-T29 WeakPolarHBondContact O-CB 3.41Å; Y25-T29 PolarHBondContact O-N 2.71Å; Y25-T29 PolarHBondContact O-OG1 3.38Å; Y25-N67 WeakPolarHBondContact CE1-ND2 3.48Å |
| 26 | A | 49.2 | Very low | 52.3 | Low | 54 Ų | 54 | 128 Ų | 128 | 45% | 0.446 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.1 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L22 M23 T29 T30 | L22-A26 WeakPolarHBondContact O-CB 3Å; L22-A26 PolarHBondContact O-N 3.35Å; M23-A26 PolarHBondContact O-N 3.09Å; A26-T29 PolarHBondContact O-N 3.23Å; A26-T30 WeakPolarHBondContact O-CB 3.45Å; A26-T30 PolarHBondContact O-N 3.32Å; A26-T30 PolarHBondContact O-OG1 2.91Å |
| 27 | T | 46.8 | Very low | 49.9 | Very low | 71 Ų | 71 | 125 Ų | 125 | 44% | 0.436 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.7 | -30.8 | 177.5 | -50 | 0 | 0 | 0 | 0 | 111.5 | M23 T29 I31 | M23-T27 WeakPolarHBondContact O-CA 3.45Å; M23-T27 WeakPolarHBondContact O-CB 3.38Å; M23-T27 PolarHBondContact O-N 2.89Å; M23-T27 PolarHBondContact O-OG1 2.6Å; T27-T29 VanDerWaalsContact C-N 3.31Å; T27-I31 HydrophobicContact CG2-CD1 3.56Å; T27-I31 HydrophobicContact CG2-CG1 4.32Å |
| 28 | T | 44.1 | Very low | 47.8 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 73% | 0.73 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.5 | -13.4 | 175.1 | -46.2 | 0 | 0 | 0 | 0 | 112.7 | R24 | R24-T28 WeakPolarHBondContact O-CB 2.99Å; R24-T28 PolarHBondContact O-N 2.82Å; R24-T28 PolarHBondContact O-OG1 3.26Å |
| 29 | T | 42.5 | Very low | 46 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -103.6 | -5.6 | 179.4 | -40 | 0 | 0 | 0 | 0 | 113.4 | Y25 A26 T27 | Y25-T29 WeakPolarHBondContact O-CB 3.41Å; Y25-T29 PolarHBondContact O-N 2.71Å; Y25-T29 PolarHBondContact O-OG1 3.38Å; A26-T29 PolarHBondContact O-N 3.23Å; T27-T29 VanDerWaalsContact C-N 3.31Å |
| 30 | T | 41.7 | Very low | 44.2 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 69% | 0.693 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -131.3 | 4.7 | -170.7 | -33 | 0 | 0 | 0 | 0 | 114.5 | A26 | A26-T30 WeakPolarHBondContact O-CB 3.45Å; A26-T30 PolarHBondContact O-N 3.32Å; A26-T30 PolarHBondContact O-OG1 2.91Å |
| 31 | I | 36.7 | Very low | 42.6 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | trans | -125.4 | 73.8 | 178.5 | -45.6 | -174.4 | 0 | 0 | 0 | 109.4 | T27 | T27-I31 HydrophobicContact CG2-CD1 3.56Å; T27-I31 HydrophobicContact CG2-CG1 4.32Å | ||
| 32 | A | 36.4 | Very low | 41.3 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | trans | -70.8 | 130.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | N34 | A32-N34 PolarHBondContact O-N 3.29Å; A32-N34 VanDerWaalsContact O-N 3.13Å | ||
| 33 | P | 33.5 | Very low | 40.1 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -88 | 79.8 | -173.2 | 34.7 | -31 | 0 | 0 | 0 | 110.1 | ||
| 34 | N | 37.2 | Very low | 38.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 66% | 0.663 | 70% | 0.699 | S | S | * | * | trans | 173.2 | 90.5 | 164.6 | 43.4 | -6.9 | 0 | 0 | 0 | 112.5 | A32 E36 | A32-N34 PolarHBondContact O-N 3.29Å; A32-N34 VanDerWaalsContact O-N 3.13Å; N34-E36 PolarHBondContact O-N 3.01Å | ||
| 35 | N | 30.3 | Very low | 37.9 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | 23.4 | 87.3 | 128.5 | -47.5 | -18.3 | 0 | 0 | 0 | 117.6 | |||||
| 36 | E | 31.9 | Very low | 37.1 | Very low | 175 Ų | 175 | 122 Ų | 122 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -164.9 | 129.2 | 139.9 | -125.2 | 174.7 | 127.3 | 0 | 0 | 110.4 | N34 S38 | N34-E36 PolarHBondContact O-N 3.01Å; E36-S38 PolarHBondContact O-N 3Å; E36-S38 VanDerWaalsContact O-N 3.17Å | ||
| 37 | P | 31.4 | Very low | 36.4 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | -75.3 | 103 | 170.8 | 30 | -27.2 | 0 | 0 | 0 | 107.9 | S39 | P37-S39 PolarHBondContact O-N 3.47Š| ||
| 38 | S | 33.9 | Very low | 35.8 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -69.8 | 71.1 | 171 | -48.8 | 0 | 0 | 0 | 0 | 110.5 | E36 | E36-S38 PolarHBondContact O-N 3Å; E36-S38 VanDerWaalsContact O-N 3.17Å | ||
| 39 | S | 31.1 | Very low | 35.2 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | -88.9 | -0.9 | 179.7 | -172 | 0 | 0 | 0 | 0 | 113.8 | P37 | P37-S39 PolarHBondContact O-N 3.47Š| ||
| 40 | D | 33.5 | Very low | 34.7 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -118.7 | 4.2 | -167.2 | -71.8 | -20.4 | 0 | 0 | 0 | 115.8 | ||
| 41 | L | 40.6 | Very low | 34.4 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -83.9 | -18.9 | -172.4 | -157.5 | 68.6 | 0 | 0 | 0 | 114.6 | ||
| 42 | I | 38.9 | Very low | 34 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -92.1 | -12.3 | -171.3 | -59.8 | -177.4 | 0 | 0 | 0 | 112.6 | ||
| 43 | Q | 34.6 | Very low | 33.9 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -90.9 | -16.1 | -173.7 | -150.9 | 144.5 | 19 | 0 | 0 | 114.7 | ||
| 44 | N | 35 | Very low | 33.9 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -86.4 | -2.1 | -177.8 | -92.2 | -29.3 | 0 | 0 | 0 | 115.5 | ||
| 45 | L | 36.8 | Very low | 33.6 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -84.5 | -5.6 | 179.7 | -79.1 | 98.7 | 0 | 0 | 0 | 114.4 | ||
| 46 | S | 33.9 | Very low | 33.8 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -88.8 | -9.7 | -176.6 | -75.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 47 | D | 33.7 | Very low | 33.9 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -114 | 6.1 | -166.4 | -73.9 | -23.8 | 0 | 0 | 0 | 116.6 | ||
| 48 | S | 34.3 | Very low | 34 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | -125.6 | 59.7 | -176.3 | -175.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 49 | N | 30.2 | Very low | 34.3 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | trans | -75.1 | 133.9 | 147.9 | -75.7 | -29.1 | 0 | 0 | 0 | 107.7 | ||||
| 50 | N | 33.3 | Very low | 34.3 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 91.1 | 62.1 | 178.2 | -49.5 | -28.1 | 0 | 0 | 0 | 117.1 | ||
| 51 | H | 34.7 | Very low | 34.4 | Very low | 167 Ų | 167 | 127 Ų | 127 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | -179.2 | 126.5 | 125.8 | -111.1 | -70 | 0 | 0 | 0 | 109.8 | M53 | H51-M53 VanDerWaalsContact C-N 3.29Å; H51-M53 HydrophobicContact CB-CG 4.49Å; H51-M53 PolarHBondContact O-N 3.39Å | |||
| 52 | S | 29.2 | Very low | 34 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 88% | 0.881 | 70% | 0.698 | S | S | * | * | trans | -55.1 | 93.7 | 159.9 | 139.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 53 | M | 33.1 | Very low | 33.8 | Very low | 155 Ų | 155 | 122.3 Ų | 122.3 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | trans | -113.7 | 130.6 | 167.1 | -83.1 | -81.6 | -131.6 | 0 | 0 | 107.3 | H51 V55 | H51-M53 VanDerWaalsContact C-N 3.29Å; H51-M53 HydrophobicContact CB-CG 4.49Å; H51-M53 PolarHBondContact O-N 3.39Å; M53-V55 HydrophobicContact CB-CG2 4.43Å; M53-V55 WeakPolarHBondContact O-CG2 3.46Å; M53-V55 PolarHBondContact O-N 3.49Å | ||
| 54 | N | 33.4 | Very low | 33.8 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | trans | -65.8 | 83.2 | 175.9 | -157.2 | 13.3 | 0 | 0 | 0 | 108 | T56 | N54-T56 PolarHBondContact O-N 3.38Š| ||
| 55 | V | 32.1 | Very low | 33.7 | Very low | 95 Ų | 95 | 121.4 Ų | 121.4 | 58% | 0.576 | 68% | 0.683 | S | S | * | * | trans | -80.9 | 90.5 | -178.5 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | M53 N57 | M53-V55 HydrophobicContact CB-CG2 4.43Å; M53-V55 WeakPolarHBondContact O-CG2 3.46Å; M53-V55 PolarHBondContact O-N 3.49Å; V55-N57 HydrophobicContact CG1-CB 3.74Å; V55-N57 WeakPolarHBondContact CG1-ND2 3.46Å; V55-N57 WeakPolarHBondContact CG1-OD1 3.42Å; V55-N57 PolarHBondContact O-N 2.85Å | ||
| 56 | T | 35.1 | Very low | 33.6 | Very low | 119 Ų | 119 | 120 Ų | 120 | 73% | 0.73 | 67% | 0.672 | S | S | * | * | trans | -73.3 | 59.9 | 165.4 | -41 | 0 | 0 | 0 | 0 | 109.3 | N54 | N54-T56 PolarHBondContact O-N 3.38Š| ||
| 57 | N | 33 | Very low | 33.4 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 62% | 0.62 | 67% | 0.666 | S | S | * | * | trans | -80 | 129.5 | 172.2 | -81.1 | -6.3 | 0 | 0 | 0 | 108.8 | V55 I59 | V55-N57 HydrophobicContact CG1-CB 3.74Å; V55-N57 WeakPolarHBondContact CG1-ND2 3.46Å; V55-N57 WeakPolarHBondContact CG1-OD1 3.42Å; V55-N57 PolarHBondContact O-N 2.85Å; N57-I59 PolarHBondContact O-N 3.02Å | ||
| 58 | P | 34.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 80% | 0.799 | 66% | 0.664 | S | S | * | * | trans | -61.4 | 113.4 | 175.6 | 24.3 | -31.4 | 0 | 0 | 0 | 109.1 | N60 | P58-N60 PolarHBondContact O-N 3.32Š| ||
| 59 | I | 39.6 | Very low | 32.8 | Very low | 61 Ų | 61 | 123 Ų | 123 | 31% | 0.313 | 67% | 0.666 | S | S | . | * | trans | -69.9 | 112.4 | 171.3 | -60.8 | 173.2 | 0 | 0 | 0 | 106.7 | N57 I61 M127 | N57-I59 PolarHBondContact O-N 3.02Å; I59-I61 HydrophobicContact CG2-CG1 4.23Å; I59-I61 PolarHBondContact O-N 2.96Å; I59-I61 VanDerWaalsContact O-N 3.12Å; I59-M127 HydrophobicContact CD1-CE 3.98Å | ||
| 60 | N | 30.1 | Very low | 32.8 | Very low | 147 Ų | 147 | 120.4 Ų | 120.4 | 79% | 0.786 | 66% | 0.66 | S | S | * | * | trans | -76.9 | 97.7 | 175.7 | -158.8 | 11 | 0 | 0 | 0 | 108.3 | P58 T62 | P58-N60 PolarHBondContact O-N 3.32Å; N60-T62 PolarHBondContact O-N 2.66Å | ||
| 61 | I | 35.7 | Very low | 32.6 | Very low | 49 Ų | 49 | 123.6 Ų | 123.6 | 25% | 0.251 | 66% | 0.663 | S | S | . | * | trans | -79.1 | 101.1 | 177.8 | -54.6 | 172.7 | 0 | 0 | 0 | 107.7 | I59 S63 V125 | I59-I61 HydrophobicContact CG2-CG1 4.23Å; I59-I61 PolarHBondContact O-N 2.96Å; I59-I61 VanDerWaalsContact O-N 3.12Å; I61-S63 PolarHBondContact O-N 3.3Å; I61-V125 HydrophobicContact CD1-CB 3.72Å; I61-V125 HydrophobicContact CD1-CG2 3.29Å | ||
| 62 | T | 32.7 | Very low | 32.5 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | trans | -69.1 | 112 | 162.1 | 41.3 | 0 | 0 | 0 | 0 | 108.5 | N60 I64 | N60-T62 PolarHBondContact O-N 2.66Å; T62-I64 PolarHBondContact O-N 3.22Å | ||
| 63 | S | 34.7 | Very low | 32.7 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 62% | 0.622 | 63% | 0.631 | S | S | * | * | trans | -63.9 | 102.1 | 167.7 | 52.6 | 0 | 0 | 0 | 0 | 108.1 | I61 H65 | I61-S63 PolarHBondContact O-N 3.3Å; S63-H65 VanDerWaalsContact C-N 3.27Å; S63-H65 PolarHBondContact O-N 3.44Å | ||
| 64 | I | 34 | Very low | 32.9 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 54% | 0.544 | 63% | 0.629 | S | S | . | * | trans | -71.3 | 97.7 | 168.4 | -29.6 | 178.8 | 0 | 0 | 0 | 104.7 | T62 Q66 I76 | T62-I64 PolarHBondContact O-N 3.22Å; I64-Q66 HydrophobicContact CB-CG 4.24Å; I64-Q66 HydrophobicContact CG2-CG 3.83Å; I64-Q66 PolarHBondContact O-N 2.73Å; I64-I76 HydrophobicContact CD1-CD1 3.97Å | ||
| 65 | H | 34.3 | Very low | 33.2 | Very low | 173 Ų | 173 | 115 Ų | 115 | 80% | 0.801 | 61% | 0.609 | S | S | * | * | trans | -69.6 | 65.7 | 176.8 | -143.6 | -87.7 | 0 | 0 | 0 | 108.3 | S63 N67 | S63-H65 VanDerWaalsContact C-N 3.27Å; S63-H65 PolarHBondContact O-N 3.44Å; H65-N67 PolarHBondContact O-N 3.12Å | ||
| 66 | Q | 33.7 | Very low | 33.4 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 50% | 0.495 | 61% | 0.605 | S | S | . | * | trans | -73.4 | 116.8 | 172.4 | -66.9 | -171.7 | -14.2 | 0 | 0 | 106.5 | I64 Y68 | I64-Q66 HydrophobicContact CB-CG 4.24Å; I64-Q66 HydrophobicContact CG2-CG 3.83Å; I64-Q66 PolarHBondContact O-N 2.73Å; Q66-Y68 HydrophobicContact CB-CD2 3.58Å; Q66-Y68 HydrophobicContact CB-CE2 3.72Å; Q66-Y68 HydrophobicContact CG-CE2 4.5Å; Q66-Y68 PolarHBondContact O-N 3.3Å | ||
| 67 | N | 29.9 | Very low | 33.4 | Very low | 115 Ų | 115 | 110.3 Ų | 110.3 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | trans | -67.2 | 56.8 | -175.1 | -141.6 | 13.4 | 0 | 0 | 0 | 110.9 | Y25 H65 | Y25-N67 WeakPolarHBondContact CE1-ND2 3.48Å; H65-N67 PolarHBondContact O-N 3.12Å | ||
| 68 | Y | 27.7 | Very low | 33.4 | Very low | 183 Ų | 183 | 111.3 Ų | 111.3 | 72% | 0.718 | 58% | 0.577 | S | S | * | * | trans | -89.2 | 119.3 | 178.3 | -81.1 | -77.3 | 0 | 0 | 0 | 109.9 | Q66 S70 | Q66-Y68 HydrophobicContact CB-CD2 3.58Å; Q66-Y68 HydrophobicContact CB-CE2 3.72Å; Q66-Y68 HydrophobicContact CG-CE2 4.5Å; Q66-Y68 PolarHBondContact O-N 3.3Å; Y68-S70 PolarHBondContact O-N 3.02Å | ||
| 69 | P | 28.4 | Very low | 33.4 | Very low | 113 Ų | 113 | 107 Ų | 107 | 73% | 0.734 | 55% | 0.55 | S | S | * | * | trans | -70 | 115.6 | 171 | 28.4 | -28.2 | 0 | 0 | 0 | 108.2 | ||||
| 70 | S | 30.8 | Very low | 33.3 | Very low | 98 Ų | 98 | 110.2 Ų | 110.2 | 69% | 0.685 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 65.2 | 123.7 | 157.4 | -61.1 | 0 | 0 | 0 | 0 | 118.2 | Y68 | Y68-S70 PolarHBondContact O-N 3.02Š|
| 71 | Y | 27.8 | Very low | 34 | Very low | 215 Ų | 215 | 110 Ų | 110 | 84% | 0.843 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 68 | 71.9 | 163.9 | -58 | -82.3 | 0 | 0 | 0 | 117.2 | ||
| 72 | H | 32.9 | Very low | 34 | Very low | 120 Ų | 120 | 113.2 Ų | 113.2 | 56% | 0.556 | 59% | 0.588 | S | S | * | * | trans | 159.3 | 94.2 | 138.4 | -91.4 | -76.9 | 0 | 0 | 0 | 108 | Q74 | H72-Q74 PolarHBondContact O-N 3.36Š| ||
| 73 | S | 34.1 | Very low | 34.2 | Very low | 62 Ų | 62 | 112.5 Ų | 112.5 | 43% | 0.434 | 59% | 0.587 | S | S | . | * | trans | -65.3 | 97.8 | 168.9 | 49.2 | 0 | 0 | 0 | 0 | 108.5 | F75 F91 | S73-F75 WeakPolarHBondContact O-CD2 3.44Å; S73-F75 PolarHBondContact O-N 2.89Å; S73-F75 WeakPolarHBondContact OG-CE2 3.34Å; S73-F91 WeakPolarHBondContact O-CE2 3.46Å; S73-F91 WeakPolarHBondContact O-CZ 3.49Å | ||
| 74 | Q | 36.4 | Very low | 34.3 | Very low | 153 Ų | 153 | 112.2 Ų | 112.2 | 72% | 0.715 | 58% | 0.575 | S | S | * | * | trans | -69.6 | 108.8 | 167.5 | -68.1 | -179.6 | 14.1 | 0 | 0 | 107.2 | H72 | H72-Q74 PolarHBondContact O-N 3.36Š| ||
| 75 | F | 39.4 | Very low | 34.4 | Very low | 59 Ų | 59 | 118.2 Ų | 118.2 | 26% | 0.259 | 59% | 0.591 | S | S | . | * | trans | -89.4 | 114.1 | 170.5 | -69.2 | -80.5 | 0 | 0 | 0 | 108 | S73 F91 V120 | S73-F75 WeakPolarHBondContact O-CD2 3.44Å; S73-F75 PolarHBondContact O-N 2.89Å; S73-F75 WeakPolarHBondContact OG-CE2 3.34Å; F75-F91 AromaticContact CD2-CE1 3.88Å; F75-F91 HydrophobicContact CD2-CE1 3.88Å; F75-F91 AromaticContact CD2-CZ 3.67Å; F75-F91 HydrophobicContact CD2-CZ 3.67Å; F75-F91 HydrophobicContact CE2-CE1 4.07Å; F75-F91 HydrophobicContact CE2-CZ 4.03Å; F75-V120 HydrophobicContact CE1-CG1 4.3Å | ||
| 76 | I | 37.3 | Very low | 34.6 | Very low | 98 Ų | 98 | 114.6 Ų | 114.6 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | trans | -85.8 | 111.7 | 169.7 | -62.7 | 171.4 | 0 | 0 | 0 | 106.5 | I64 | I64-I76 HydrophobicContact CD1-CD1 3.97Š| ||
| 77 | C | 35.1 | Very low | 34.7 | Very low | 19 Ų | 19 | 116.7 Ų | 116.7 | 13% | 0.128 | 59% | 0.587 | C | S | . | * | trans | -97.5 | 111.5 | 166.8 | -65.2 | 0 | 0 | 0 | 0 | 107.4 | F86 | C77-F86 HydrophobicContact CB-CD2 3.86Å; C77-F86 HydrophobicContact CB-CE2 4.01Å | ||
| 78 | E | 32.4 | Very low | 35.2 | Very low | 137 Ų | 137 | 113 Ų | 113 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | trans | -99.7 | 113.6 | 173.5 | -161.1 | 164.4 | -154 | 0 | 0 | 107.5 | ||||
| 79 | S | 35 | Very low | 35.6 | Very low | 32 Ų | 32 | 108.4 Ų | 108.4 | 22% | 0.224 | 56% | 0.562 | C | S | . | * | B | Isolated β-bridge | trans | -97.9 | 133.3 | 172.8 | 173.9 | 0 | 0 | 0 | 0 | 108.2 | L81 L82 | S79-L81 PolarHBondContact O-N 3.32Å; S79-L81 PolarHBondContact OG-N 3.37Å; S79-L82 CarbonylContact O-C 3.45Å; S79-L82 PolarHBondContact O-N 3.5Å |
| 80 | T | 37.6 | Very low | 36 | Very low | 129 Ų | 129 | 108.8 Ų | 108.8 | 79% | 0.791 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -12.2 | 175.5 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 81 | L | 43.4 | Very low | 36.4 | Very low | 143 Ų | 143 | 107 Ų | 107 | 75% | 0.749 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -17 | -179.1 | -85 | 139.9 | 0 | 0 | 0 | 114.4 | S79 | S79-L81 PolarHBondContact O-N 3.32Å; S79-L81 PolarHBondContact OG-N 3.37Å |
| 82 | L | 37.4 | Very low | 36.9 | Very low | 116 Ų | 116 | 103.5 Ų | 103.5 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | B | Isolated β-bridge | trans | -176.1 | 113.7 | 176.7 | -93.7 | 135.2 | 0 | 0 | 0 | 108.4 | S79 K84 | S79-L82 CarbonylContact O-C 3.45Å; S79-L82 PolarHBondContact O-N 3.5Å; L82-K84 PolarHBondContact O-N 3.06Å |
| 83 | S | 35.3 | Very low | 37 | Very low | 96 Ų | 96 | 106.6 Ų | 106.6 | 67% | 0.671 | 54% | 0.54 | S | S | * | . | trans | -73.6 | 69.7 | 175.5 | 74.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 84 | K | 38.2 | Very low | 37.1 | Very low | 84 Ų | 84 | 108.6 Ų | 108.6 | 37% | 0.365 | 55% | 0.546 | S | S | . | . | trans | -91.4 | 120.8 | 171.9 | -74.8 | -165.8 | 176.8 | -173.4 | 0 | 109.5 | L82 F86 I113 | L82-K84 PolarHBondContact O-N 3.06Å; K84-F86 WeakPolarHBondContact O-CD2 3.38Å; K84-F86 PolarHBondContact O-N 3.45Å; K84-I113 HydrophobicContact CD-CD1 4.48Å | ||
| 85 | R | 34.9 | Very low | 37.2 | Very low | 231 Ų | 231 | 108.2 Ų | 108.2 | 87% | 0.872 | 55% | 0.548 | S | S | * | . | trans | -65.8 | 113.7 | 173.3 | -70.2 | -178.5 | 178.8 | -174.3 | -0.2 | 108.7 | L87 | R85-L87 PolarHBondContact O-N 3.07Š| ||
| 86 | F | 39.5 | Very low | 37.3 | Very low | 98 Ų | 98 | 113.6 Ų | 113.6 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | trans | -77.5 | 100.6 | 169.3 | -65.8 | -84.3 | 0 | 0 | 0 | 109.1 | C77 K84 L101 | C77-F86 HydrophobicContact CB-CD2 3.86Å; C77-F86 HydrophobicContact CB-CE2 4.01Å; K84-F86 WeakPolarHBondContact O-CD2 3.38Å; K84-F86 PolarHBondContact O-N 3.45Å; F86-L101 HydrophobicContact CB-CD2 4.45Å | ||
| 87 | L | 36.3 | Very low | 37.2 | Very low | 150 Ų | 150 | 111.9 Ų | 111.9 | 79% | 0.785 | 59% | 0.586 | S | S | * | * | trans | -88.4 | 101.1 | 163.1 | -72 | 160.7 | 0 | 0 | 0 | 106.4 | R85 | R85-L87 PolarHBondContact O-N 3.07Š| ||
| 88 | S | 38.6 | Very low | 37.3 | Very low | 36 Ų | 36 | 117.3 Ų | 117.3 | 25% | 0.252 | 60% | 0.603 | S | S | . | * | trans | -125 | 101.5 | 165.8 | -167.8 | 0 | 0 | 0 | 0 | 110.3 | Q90 | S88-Q90 PolarHBondContact O-N 3.47Š| ||
| 89 | P | 36.8 | Very low | 37.6 | Very low | 87 Ų | 87 | 116 Ų | 116 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | trans | -87.5 | 63.8 | 163.8 | 36.1 | -28 | 0 | 0 | 0 | 107.8 | ||||
| 90 | Q | 37.4 | Very low | 37.8 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | trans | -168.9 | 73.5 | 170.3 | -105.6 | 154.9 | 90.9 | 0 | 0 | 110.8 | S88 H92 | S88-Q90 PolarHBondContact O-N 3.47Å; Q90-H92 VanDerWaalsContact C-N 3.3Å; Q90-H92 PolarHBondContact O-N 3.04Å | ||
| 91 | F | 39.3 | Very low | 38 | Very low | 61 Ų | 61 | 112.4 Ų | 112.4 | 27% | 0.268 | 57% | 0.568 | S | S | . | * | trans | -70.7 | 92.8 | 161 | -65.4 | -80.6 | 0 | 0 | 0 | 107.6 | S73 F75 | S73-F91 WeakPolarHBondContact O-CE2 3.46Å; S73-F91 WeakPolarHBondContact O-CZ 3.49Å; F75-F91 AromaticContact CD2-CE1 3.88Å; F75-F91 HydrophobicContact CD2-CE1 3.88Å; F75-F91 AromaticContact CD2-CZ 3.67Å; F75-F91 HydrophobicContact CD2-CZ 3.67Å; F75-F91 HydrophobicContact CE2-CE1 4.07Å; F75-F91 HydrophobicContact CE2-CZ 4.03Å | ||
| 92 | H | 38.1 | Very low | 38 | Very low | 141 Ų | 141 | 108.8 Ų | 108.8 | 65% | 0.653 | 56% | 0.559 | S | S | * | * | trans | -71.7 | 132.7 | 169.7 | -81.1 | -159.2 | 0 | 0 | 0 | 109.4 | Q90 N94 | Q90-H92 VanDerWaalsContact C-N 3.3Å; Q90-H92 PolarHBondContact O-N 3.04Å; H92-N94 PolarHBondContact O-N 2.96Å; H92-N94 VanDerWaalsContact O-N 3.12Å | ||
| 93 | H | 35.2 | Very low | 38.3 | Very low | 185 Ų | 185 | 107.9 Ų | 107.9 | 86% | 0.856 | 55% | 0.551 | S | S | * | * | trans | -54.5 | 113.6 | -176.7 | -86.5 | -98.2 | 0 | 0 | 0 | 111.7 | ||||
| 94 | N | 36.6 | Very low | 38.5 | Very low | 104 Ų | 104 | 109 Ų | 109 | 56% | 0.556 | 55% | 0.55 | S | S | * | . | 53.4 | 82.4 | 125 | -148.4 | 7.9 | 0 | 0 | 0 | 118.3 | H92 G97 | H92-N94 PolarHBondContact O-N 2.96Å; H92-N94 VanDerWaalsContact O-N 3.12Å; N94-G97 WeakPolarHBondContact OD1-CA 3.34Å; N94-G97 PolarHBondContact OD1-N 3.28Å | |||
| 95 | L | 37.8 | Very low | 38.8 | Very low | 145 Ų | 145 | 109.2 Ų | 109.2 | 76% | 0.759 | 56% | 0.555 | S | S | * | * | B | Isolated β-bridge | trans | -90.5 | 107.4 | 148.8 | -80.8 | 150.3 | 0 | 0 | 0 | 107.5 | G97 R98 | L95-G97 PolarHBondContact O-N 3.38Å; L95-R98 PolarHBondContact O-N 3.37Å |
| 96 | N | 40.6 | Very low | 39.3 | Very low | 171 Ų | 171 | 104.5 Ų | 104.5 | 91% | 0.914 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 35.7 | 172.2 | -65.8 | -12.1 | 0 | 0 | 0 | 117.6 | R98 | N96-R98 VanDerWaalsContact C-N 3.3Å; N96-R98 PolarHBondContact O-N 2.88Å |
| 97 | G | 36.7 | Very low | 39.2 | Very low | 62 Ų | 62 | 105.9 Ų | 105.9 | 64% | 0.639 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.1 | 0.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N94 L95 | N94-G97 WeakPolarHBondContact OD1-CA 3.34Å; N94-G97 PolarHBondContact OD1-N 3.28Å; L95-G97 PolarHBondContact O-N 3.38Å |
| 98 | R | 35.8 | Very low | 38.9 | Very low | 133 Ų | 133 | 106.8 Ų | 106.8 | 50% | 0.502 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -89.2 | 125.8 | 178.7 | -97.3 | 175.3 | 164.9 | -175.3 | -11.2 | 111 | L95 N96 T119 | L95-R98 PolarHBondContact O-N 3.37Å; N96-R98 VanDerWaalsContact C-N 3.3Å; N96-R98 PolarHBondContact O-N 2.88Å; R98-T119 HydrophobicContact CB-CG2 4.49Å; R98-T119 HydrophobicContact CG-CG2 3.84Å; R98-T119 VanDerWaalsContact NE-CG2 3.33Å |
| 99 | R | 38.3 | Very low | 38.5 | Very low | 109 Ų | 109 | 110.3 Ų | 110.3 | 41% | 0.411 | 58% | 0.579 | S | S | . | * | trans | -81.5 | 121.8 | 161.1 | -69.1 | -175.5 | -73.5 | -127.9 | 0.5 | 107.8 | C118 | R99-C118 VanDerWaalsContact O-O 3.13Š| ||
| 100 | V | 39.1 | Very low | 38 | Very low | 61 Ų | 61 | 113.1 Ų | 113.1 | 37% | 0.37 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 128 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | V117 | V100-V117 HydrophobicContact CG1-CG1 3.97Å; V100-V117 HydrophobicContact CG2-CG1 4.06Å |
| 101 | L | 43.2 | Very low | 37.6 | Very low | 25 Ų | 25 | 108.7 Ų | 108.7 | 13% | 0.131 | 58% | 0.578 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 117.5 | 165.3 | -73.7 | 106.6 | 0 | 0 | 0 | 108.8 | F86 C118 V120 | F86-L101 HydrophobicContact CB-CD2 4.45Å; L101-C118 HydrophobicContact CB-CB 3.98Å; L101-C118 HydrophobicContact CD1-CB 3.49Å; L101-C118 VanDerWaalsContact CD1-CB 3.49Å; L101-C118 HydrophobicContact CG-CB 4.31Å; L101-V120 HydrophobicContact CD1-CG2 4.45Å |
| 102 | A | 42.7 | Very low | 37.3 | Very low | 67 Ų | 67 | 114.2 Ų | 114.2 | 55% | 0.554 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 124.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 103 | H | 43.6 | Very low | 37.1 | Very low | 98 Ų | 98 | 111.5 Ų | 111.5 | 45% | 0.454 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -80 | 118.8 | 167.3 | -165.9 | -16 | 0 | 0 | 0 | 107.7 | D105 | H103-D105 IonicContact CD2-OD1 3.87Å; H103-D105 IonicContact CD2-OD2 3.92Å; H103-D105 IonicContact CE1-OD1 2.78Å; H103-D105 PolarHBondContact CE1-OD1 3.35Å; H103-D105 IonicContact CG-OD1 3.94Å; H103-D105 IonicContact ND1-OD1 3.3Å; H103-D105 PolarHBondContact ND1-OD1 3.45Å; H103-D105 IonicContact NE2-OD1 3.24Å; H103-D105 PolarHBondContact NE2-OD1 3.17Å; H103-D105 IonicContact NE2-OD2 4Å |
| 104 | N | 40.7 | Very low | 37.1 | Very low | 119 Ų | 119 | 107.3 Ų | 107.3 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | trans | -96.2 | 92.6 | 171.1 | -158.8 | 20 | 0 | 0 | 0 | 107.9 | N106 | N104-N106 PolarHBondContact O-N 2.82Š| ||
| 105 | D | 44.8 | Very low | 37.1 | Very low | 88 Ų | 88 | 110.7 Ų | 110.7 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | trans | -77.4 | 69.2 | 171 | -78.1 | -38.8 | 0 | 0 | 0 | 109.5 | H103 | H103-D105 IonicContact CD2-OD1 3.87Å; H103-D105 IonicContact CD2-OD2 3.92Å; H103-D105 IonicContact CE1-OD1 2.78Å; H103-D105 PolarHBondContact CE1-OD1 3.35Å; H103-D105 IonicContact CG-OD1 3.94Å; H103-D105 IonicContact ND1-OD1 3.3Å; H103-D105 PolarHBondContact ND1-OD1 3.45Å; H103-D105 IonicContact NE2-OD1 3.24Å; H103-D105 PolarHBondContact NE2-OD1 3.17Å; H103-D105 IonicContact NE2-OD2 4Å | ||
| 106 | N | 43.7 | Very low | 37.1 | Very low | 133 Ų | 133 | 105.7 Ų | 105.7 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | trans | -91 | -7.1 | 168.9 | -92.4 | 1.1 | 0 | 0 | 0 | 112.5 | N104 | N104-N106 PolarHBondContact O-N 2.82Š| ||
| 107 | D | 38.8 | Very low | 37 | Very low | 127 Ų | 127 | 100.5 Ų | 100.5 | 68% | 0.679 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -97.2 | 128.2 | 171.5 | -71.2 | -33.3 | 0 | 0 | 0 | 108.9 | I109 | D107-I109 HydrophobicContact CB-CD1 4.41Å; D107-I109 HydrophobicContact CB-CG1 4.38Å; D107-I109 PolarHBondContact O-N 3.3Å |
| 108 | N | 29.4 | Very low | 37.1 | Very low | 169 Ų | 169 | 98.4 Ų | 98.4 | 90% | 0.904 | 53% | 0.532 | S | S | * | . | trans | -66.5 | 37.8 | -174.2 | -159.4 | 13.6 | 0 | 0 | 0 | 113.9 | ||||
| 109 | I | 30.6 | Very low | 37.1 | Very low | 109 Ų | 109 | 92.4 Ų | 92.4 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | trans | -91.9 | 103.1 | 177.8 | -56.5 | 176 | 0 | 0 | 0 | 106.4 | D107 S111 | D107-I109 HydrophobicContact CB-CD1 4.41Å; D107-I109 HydrophobicContact CB-CG1 4.38Å; D107-I109 PolarHBondContact O-N 3.3Å; I109-S111 VanDerWaalsContact C-N 3.28Å; I109-S111 PolarHBondContact O-N 2.97Å | ||
| 110 | T | 25.4 | Very low | 37 | Very low | 146 Ų | 146 | 88.1 Ų | 88.1 | 90% | 0.896 | 50% | 0.497 | S | S | * | . | trans | -47.8 | 91.9 | 164.1 | 15 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 111 | S | 30.2 | Very low | 36.7 | Very low | 30 Ų | 30 | 91 Ų | 91 | 21% | 0.21 | 51% | 0.51 | C | S | . | . | trans | -127.3 | 109.7 | 173.1 | 78.6 | 0 | 0 | 0 | 0 | 108.4 | I109 I113 | I109-S111 VanDerWaalsContact C-N 3.28Å; I109-S111 PolarHBondContact O-N 2.97Å; S111-I113 PolarHBondContact O-N 3.4Å | ||
| 112 | N | 31.3 | Very low | 36.4 | Very low | 177 Ų | 177 | 100.9 Ų | 100.9 | 95% | 0.947 | 55% | 0.546 | S | S | * | . | trans | -68.4 | 52.4 | 173 | -81.2 | -8.8 | 0 | 0 | 0 | 110.5 | ||||
| 113 | I | 35.4 | Very low | 36 | Very low | 83 Ų | 83 | 103.9 Ų | 103.9 | 43% | 0.426 | 55% | 0.552 | S | S | . | * | trans | -90.7 | 114 | 175.1 | -58.4 | 177.5 | 0 | 0 | 0 | 106 | K84 S111 Q115 | K84-I113 HydrophobicContact CD-CD1 4.48Å; S111-I113 PolarHBondContact O-N 3.4Å; I113-Q115 PolarHBondContact O-N 3.41Å | ||
| 114 | T | 34.2 | Very low | 35.4 | Very low | 98 Ų | 98 | 106.2 Ų | 106.2 | 60% | 0.601 | 56% | 0.564 | S | S | * | * | trans | -55.4 | 133.7 | 173.1 | 20.1 | 0 | 0 | 0 | 0 | 109.5 | G116 | T114-G116 PolarHBondContact O-N 3.35Š| ||
| 115 | Q | 37 | Very low | 35.3 | Very low | 174 Ų | 174 | 101.7 Ų | 101.7 | 81% | 0.813 | 54% | 0.54 | S | S | * | . | trans | -51.3 | 115.8 | 171.1 | -74.5 | 179.6 | -9.3 | 0 | 0 | 108.7 | I113 | I113-Q115 PolarHBondContact O-N 3.41Š| ||
| 116 | G | 38.5 | Very low | 35 | Very low | 40 Ų | 40 | 101.5 Ų | 101.5 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.8 | -180 | 0 | 0 | 0 | 0 | 0 | 109.2 | T114 C118 | T114-G116 PolarHBondContact O-N 3.35Å; G116-C118 PolarHBondContact O-N 3.48Å; G116-C118 VanDerWaalsContact O-N 3.13Å |
| 117 | V | 38.6 | Very low | 34.8 | Very low | 63 Ų | 63 | 100.3 Ų | 100.3 | 38% | 0.382 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 99.5 | 170.5 | -174 | 0 | 0 | 0 | 0 | 107 | V100 T119 | V100-V117 HydrophobicContact CG1-CG1 3.97Å; V100-V117 HydrophobicContact CG2-CG1 4.06Å; V117-T119 HydrophobicContact CG1-CG2 3.88Å; V117-T119 PolarHBondContact O-N 3.02Å |
| 118 | C | 37.3 | Very low | 34.9 | Very low | 17 Ų | 17 | 97 Ų | 97 | 12% | 0.115 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 114 | 175 | -159.1 | 0 | 0 | 0 | 0 | 108.2 | R99 L101 G116 V125 | R99-C118 VanDerWaalsContact O-O 3.13Å; L101-C118 HydrophobicContact CB-CB 3.98Å; L101-C118 HydrophobicContact CD1-CB 3.49Å; L101-C118 VanDerWaalsContact CD1-CB 3.49Å; L101-C118 HydrophobicContact CG-CB 4.31Å; G116-C118 PolarHBondContact O-N 3.48Å; G116-C118 VanDerWaalsContact O-N 3.13Å; C118-V125 WeakPolarHBondContact SG-CG1 3.29Å |
| 119 | T | 36.2 | Very low | 35.2 | Very low | 7 Ų | 7 | 96 Ų | 96 | 4% | 0.043 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.9 | 179.7 | 46.9 | 0 | 0 | 0 | 0 | 110.2 | R98 V117 N126 | R98-T119 HydrophobicContact CB-CG2 4.49Å; R98-T119 HydrophobicContact CG-CG2 3.84Å; R98-T119 VanDerWaalsContact NE-CG2 3.33Å; V117-T119 HydrophobicContact CG1-CG2 3.88Å; V117-T119 PolarHBondContact O-N 3.02Å; T119-N126 PolarHBondContact O-N 3.49Å; T119-N126 PolarHBondContact OG1-O 3.01Å |
| 120 | V | 37 | Very low | 35.2 | Very low | 20 Ų | 20 | 98.8 Ų | 98.8 | 12% | 0.121 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 103.7 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | F75 L101 V125 | F75-V120 HydrophobicContact CE1-CG1 4.3Å; L101-V120 HydrophobicContact CD1-CG2 4.45Å; V120-V125 HydrophobicContact CG2-CG2 4.2Å |
| 121 | N | 33 | Very low | 35.4 | Very low | 122 Ų | 122 | 97.4 Ų | 97.4 | 65% | 0.652 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 106 | 174.2 | -158.9 | 3.1 | 0 | 0 | 0 | 110 | N123 Q124 | N121-N123 PolarHBondContact O-N 3.3Å; N121-Q124 PolarHBondContact N-O 3.26Å; N121-Q124 PolarHBondContact O-N 2.92Å |
| 122 | R | 35.7 | Very low | 35.3 | Very low | 232 Ų | 232 | 97.8 Ų | 97.8 | 88% | 0.875 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | -29.4 | 174.6 | -87.2 | -175.1 | -178.2 | 178.7 | 1.7 | 120.6 | ||
| 123 | N | 35.3 | Very low | 35 | Very low | 129 Ų | 129 | 95.5 Ų | 95.5 | 69% | 0.69 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -173.6 | 7.7 | 169.9 | -82.9 | -27 | 0 | 0 | 0 | 112.3 | N121 | N121-N123 PolarHBondContact O-N 3.3Š|
| 124 | Q | 30.7 | Very low | 34.6 | Very low | 148 Ų | 148 | 98.3 Ų | 98.3 | 69% | 0.692 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.5 | -177.8 | -67.5 | 178.3 | -7.3 | 0 | 0 | 109.7 | N121 | N121-Q124 PolarHBondContact N-O 3.26Å; N121-Q124 PolarHBondContact O-N 2.92Å |
| 125 | V | 38.5 | Very low | 33.9 | Very low | 23 Ų | 23 | 101.8 Ų | 101.8 | 14% | 0.139 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.4 | 166 | 161 | 0 | 0 | 0 | 0 | 107.1 | I61 C118 V120 M127 | I61-V125 HydrophobicContact CD1-CB 3.72Å; I61-V125 HydrophobicContact CD1-CG2 3.29Å; C118-V125 WeakPolarHBondContact SG-CG1 3.29Å; V120-V125 HydrophobicContact CG2-CG2 4.2Å; V125-M127 HydrophobicContact CG1-CG 4.25Å |
| 126 | N | 38.1 | Very low | 33.5 | Very low | 85 Ų | 85 | 105 Ų | 105 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103 | 113.5 | 169.8 | -163.8 | 4.4 | 0 | 0 | 0 | 108.3 | T119 N128 | T119-N126 PolarHBondContact O-N 3.49Å; T119-N126 PolarHBondContact OG1-O 3.01Å; N126-N128 PolarHBondContact ND2-OD1 3Å; N126-N128 VanDerWaalsContact ND2-OD1 3.16Å; N126-N128 PolarHBondContact O-N 3.34Å; N126-N128 PolarHBondContact OD1-OD1 3.21Å |
| 127 | M | 40.7 | Very low | 33.3 | Very low | 107 Ų | 107 | 108.3 Ų | 108.3 | 53% | 0.527 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 90.5 | 169.6 | -75.6 | -162.4 | -81.1 | 0 | 0 | 107.9 | I59 V125 Q129 | I59-M127 HydrophobicContact CD1-CE 3.98Å; V125-M127 HydrophobicContact CG1-CG 4.25Å; M127-Q129 PolarHBondContact O-N 3.07Å |
| 128 | N | 39 | Very low | 33 | Very low | 59 Ų | 59 | 110.6 Ų | 110.6 | 32% | 0.316 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.3 | 166.2 | -74.3 | 0.3 | 0 | 0 | 0 | 107.5 | N126 Y130 | N126-N128 PolarHBondContact ND2-OD1 3Å; N126-N128 VanDerWaalsContact ND2-OD1 3.16Å; N126-N128 PolarHBondContact O-N 3.34Å; N126-N128 PolarHBondContact OD1-OD1 3.21Å; N128-Y130 VanDerWaalsContact C-N 3.25Å; N128-Y130 HydrophobicContact CB-CD2 4.15Å; N128-Y130 PolarHBondContact O-N 3.32Å |
| 129 | Q | 35.8 | Very low | 32.8 | Very low | 148 Ų | 148 | 115.8 Ų | 115.8 | 69% | 0.692 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.1 | 90.7 | 163.3 | -71.8 | 179 | 5.1 | 0 | 0 | 107.7 | M127 | M127-Q129 PolarHBondContact O-N 3.07Å |
| 130 | Y | 32.2 | Very low | 32.6 | Very low | 167 Ų | 167 | 122.2 Ų | 122.2 | 66% | 0.655 | 64% | 0.636 | S | S | * | * | trans | -105.5 | 95.1 | 168.6 | -110.1 | -85.6 | 0 | 0 | 0 | 108.1 | N128 G132 | N128-Y130 VanDerWaalsContact C-N 3.25Å; N128-Y130 HydrophobicContact CB-CD2 4.15Å; N128-Y130 PolarHBondContact O-N 3.32Å; Y130-G132 PolarHBondContact O-N 3.31Å | ||
| 131 | S | 28.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 67% | 0.668 | S | S | * | * | trans | -80.3 | 103.3 | 160.8 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 132 | G | 28.3 | Very low | 32.3 | Very low | 39 Ų | 39 | 129.1 Ų | 129.1 | 40% | 0.402 | 67% | 0.669 | S | S | . | * | S | Bend | trans | 173.8 | 141 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y130 V134 | Y130-G132 PolarHBondContact O-N 3.31Å; G132-V134 PolarHBondContact O-N 3.33Å |
| 133 | P | 24.9 | Very low | 32 | Very low | 129 Ų | 129 | 121.7 Ų | 121.7 | 84% | 0.838 | 65% | 0.654 | S | S | * | * | trans | -72.3 | 125.9 | 176.9 | 29.9 | -31.6 | 0 | 0 | 0 | 109.7 | ||||
| 134 | V | 26.6 | Very low | 31.8 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 86% | 0.861 | 65% | 0.651 | S | S | * | * | trans | -102.2 | 99.3 | 169.4 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | G132 | G132-V134 PolarHBondContact O-N 3.33Š| ||
| 135 | M | 21 | Very low | 31.9 | Very low | 170 Ų | 170 | 118.9 Ų | 118.9 | 84% | 0.837 | 65% | 0.648 | S | S | * | * | trans | -78.1 | 130.4 | 160 | -86.9 | -170 | -75.1 | 0 | 0 | 109.4 | ||||
| 136 | I | 29.2 | Very low | 31.3 | Very low | 242 Ų | 242 | 127.6 Ų | 127.6 | 100% | 1.241 | 69% | 0.694 | S | S | * | * | -176.8 | 0 | 112.7 | -78 | 152.6 | 0 | 0 | 0 | 106.9 |
Retrieved 136 of 136 residues in 49.4 ms
(Link to these results)