| 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 | 59.4 | Low | 72.1 | Confident | 222 Ų | 222 | 123.1 Ų | 123.1 | 100% | 1.094 | 66% | 0.661 | S | S | * | * | 0 | -19.9 | 0 | -62.1 | 167.8 | -175 | 0 | 0 | 112.9 | |||||
| 2 | S | 60 | Low | 72.9 | Confident | 105 Ų | 105 | 121.9 Ų | 121.9 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.5 | -22.8 | -177.3 | -38.9 | 0 | 0 | 0 | 0 | 116 | M4 | S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 3.1Å |
| 3 | V | 64.5 | Low | 73.6 | Confident | 103 Ų | 103 | 122.8 Ų | 122.8 | 62% | 0.624 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.4 | -31.8 | -177.5 | -65.7 | 0 | 0 | 0 | 0 | 113.1 | K6 S7 | V3-K6 PolarHBondContact O-N 3.35Å; V3-S7 PolarHBondContact O-OG 2.75Å |
| 4 | M | 65 | Low | 74.2 | Confident | 125 Ų | 125 | 119.4 Ų | 119.4 | 62% | 0.616 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.6 | -40.2 | -178.1 | -53.9 | -52.4 | -179.1 | 0 | 0 | 111.3 | S2 K6 S7 F8 | S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 3.1Å; M4-K6 VanDerWaalsContact C-N 3.31Å; M4-K6 PolarHBondContact O-N 3.13Å; M4-S7 PolarHBondContact O-N 3.19Å; M4-F8 WeakPolarHBondContact O-CD2 3.45Å; M4-F8 PolarHBondContact O-N 3.34Å |
| 5 | C | 66.2 | Low | 74.7 | Confident | 88 Ų | 88 | 118.4 Ų | 118.4 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.1 | -35.7 | 178.1 | -88.5 | 0 | 0 | 0 | 0 | 113.1 | L9 | C5-L9 WeakPolarHBondContact O-CG 3.36Å; C5-L9 PolarHBondContact O-N 3.12Å |
| 6 | K | 73.9 | Confident | 75.2 | Confident | 163 Ų | 163 | 114.8 Ų | 114.8 | 71% | 0.709 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.5 | -40.6 | -179.5 | -162.7 | 94.7 | 173.3 | -167.8 | 0 | 111.5 | V3 M4 L9 F10 | V3-K6 PolarHBondContact O-N 3.35Å; M4-K6 VanDerWaalsContact C-N 3.31Å; M4-K6 PolarHBondContact O-N 3.13Å; K6-L9 PolarHBondContact O-N 3.26Å; K6-F10 PolarHBondContact O-N 2.94Å |
| 7 | S | 76.9 | Confident | 75.1 | Confident | 79 Ų | 79 | 114.1 Ų | 114.1 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.7 | -42.2 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | V3 M4 F10 S11 | V3-S7 PolarHBondContact O-OG 2.75Å; M4-S7 PolarHBondContact O-N 3.19Å; S7-F10 PolarHBondContact O-N 3.07Å; S7-S11 PolarHBondContact O-N 2.87Å |
| 8 | F | 78.4 | Confident | 75 | Confident | 148 Ų | 148 | 114.9 Ų | 114.9 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.5 | -42.6 | 175.5 | -75.5 | -72.2 | 0 | 0 | 0 | 111.9 | M4 S11 L12 | M4-F8 WeakPolarHBondContact O-CD2 3.45Å; M4-F8 PolarHBondContact O-N 3.34Å; F8-S11 PolarHBondContact O-N 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.13Å; F8-L12 PolarHBondContact O-N 3.03Å |
| 9 | L | 81.3 | Confident | 74.8 | Confident | 98 Ų | 98 | 114.4 Ų | 114.4 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.3 | -44.4 | 176 | -67.9 | 175.7 | 0 | 0 | 0 | 111.6 | C5 K6 S11 L12 F13 | C5-L9 WeakPolarHBondContact O-CG 3.36Å; C5-L9 PolarHBondContact O-N 3.12Å; K6-L9 PolarHBondContact O-N 3.26Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.38Å; L9-F13 VanDerWaalsContact O-CD2 3.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å; L9-F13 PolarHBondContact O-N 3.32Å |
| 10 | F | 83.3 | Confident | 74.5 | Confident | 142 Ų | 142 | 113.2 Ų | 113.2 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.2 | -42.7 | 178.4 | -156.4 | -96.8 | 0 | 0 | 0 | 111.4 | K6 S7 L12 F13 I14 | K6-F10 PolarHBondContact O-N 2.94Å; S7-F10 PolarHBondContact O-N 3.07Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 3.1Å; F10-F13 PolarHBondContact O-N 3.41Å; F10-I14 HydrophobicContact CD1-CG1 3.95Å; F10-I14 HydrophobicContact CE1-CD1 4Å; F10-I14 HydrophobicContact CE1-CG1 3.91Å; F10-I14 HydrophobicContact CZ-CD1 4.47Å; F10-I14 VanDerWaalsContact O-CG1 3.27Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 2.01Å |
| 11 | S | 84.8 | Confident | 74 | Confident | 81 Ų | 81 | 114.9 Ų | 114.9 | 57% | 0.566 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.5 | -40.6 | 175.1 | -166.3 | 0 | 0 | 0 | 0 | 112.6 | S7 F8 L9 I14 L15 | S7-S11 PolarHBondContact O-N 2.87Å; F8-S11 PolarHBondContact O-N 3.48Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.49Å; S11-I14 PolarHBondContact O-N 3.03Å; S11-L15 WeakPolarHBondContact O-CB 3.35Å; S11-L15 PolarHBondContact O-N 2.87Å |
| 12 | L | 80.8 | Confident | 73.9 | Confident | 109 Ų | 109 | 111.5 Ų | 111.5 | 57% | 0.571 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.3 | -40.7 | 176.1 | -74.1 | 167.6 | 0 | 0 | 0 | 112.3 | F8 L9 F10 L15 S16 | F8-L12 WeakPolarHBondContact O-CG 3.13Å; F8-L12 PolarHBondContact O-N 3.03Å; L9-L12 PolarHBondContact O-N 3.38Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.42Å; L12-S16 WeakPolarHBondContact O-CB 3.21Å; L12-S16 PolarHBondContact O-N 2.88Å |
| 13 | F | 82.5 | Confident | 73.8 | Confident | 133 Ų | 133 | 114.7 Ų | 114.7 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.9 | -45.1 | 175 | -92.9 | -81.3 | 0 | 0 | 0 | 111.8 | L9 F10 S16 M17 | L9-F13 VanDerWaalsContact O-CD2 3.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å; L9-F13 PolarHBondContact O-N 3.32Å; F10-F13 PolarHBondContact O-N 3.41Å; F13-S16 PolarHBondContact O-N 3.16Å; F13-M17 VanDerWaalsContact O-CG 3.28Å; F13-M17 WeakPolarHBondContact O-CG 3.44Å; F13-M17 PolarHBondContact O-N 3.09Å |
| 14 | I | 82.5 | Confident | 73.3 | Confident | 76 Ų | 76 | 116.3 Ų | 116.3 | 39% | 0.39 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.1 | -46.1 | 177.1 | -65.3 | -63.3 | 0 | 0 | 0 | 110.2 | F10 S11 S16 M17 F18 | F10-I14 HydrophobicContact CD1-CG1 3.95Å; F10-I14 HydrophobicContact CE1-CD1 4Å; F10-I14 HydrophobicContact CE1-CG1 3.91Å; F10-I14 HydrophobicContact CZ-CD1 4.47Å; F10-I14 VanDerWaalsContact O-CG1 3.27Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 2.01Å; S11-I14 PolarHBondContact O-N 3.03Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 3.12Å; I14-M17 PolarHBondContact O-N 2.9Å; I14-M17 VanDerWaalsContact O-N 3.17Å; I14-F18 HydrophobicContact CG2-CD2 3.7Å; I14-F18 HydrophobicContact CG2-CE2 3.36Å; I14-F18 WeakPolarHBondContact O-CD2 2.91Å; I14-F18 PolarHBondContact O-N 2.7Å |
| 15 | L | 81.8 | Confident | 72.7 | Confident | 104 Ų | 104 | 115.4 Ų | 115.4 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.5 | -42.2 | 177 | -161.3 | 76.9 | 0 | 0 | 0 | 112.1 | S11 L12 M17 F18 I19 | S11-L15 WeakPolarHBondContact O-CB 3.35Å; S11-L15 PolarHBondContact O-N 2.87Å; L12-L15 PolarHBondContact O-N 3.42Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.14Å; L15-F18 PolarHBondContact O-N 3.04Å; L15-F18 VanDerWaalsContact O-N 3.16Å; L15-I19 HydrophobicContact CG-CD1 4.32Å; L15-I19 VanDerWaalsContact O-CG1 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 2.87Å; L15-I19 PolarHBondContact O-N 2.76Å |
| 16 | S | 81.5 | Confident | 72.2 | Confident | 61 Ų | 61 | 115.8 Ų | 115.8 | 43% | 0.427 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59 | -42.1 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 112 | L12 F13 I14 F18 I19 T20 | L12-S16 WeakPolarHBondContact O-CB 3.21Å; L12-S16 PolarHBondContact O-N 2.88Å; F13-S16 PolarHBondContact O-N 3.16Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 3.12Å; S16-F18 VanDerWaalsContact C-N 3.31Å; S16-F18 PolarHBondContact O-N 3.31Å; S16-I19 PolarHBondContact O-N 3.49Å; S16-T20 PolarHBondContact O-N 3.29Å; S16-T20 VanDerWaalsContact O-N 3.15Å; S16-T20 PolarHBondContact O-OG1 2.73Å |
| 17 | M | 74.4 | Confident | 71.4 | Confident | 103 Ų | 103 | 111.9 Ų | 111.9 | 51% | 0.507 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.3 | -32.2 | 178.1 | -67.2 | -70.3 | 149.6 | 0 | 0 | 112.4 | F13 I14 L15 T20 K21 | F13-M17 VanDerWaalsContact O-CG 3.28Å; F13-M17 WeakPolarHBondContact O-CG 3.44Å; F13-M17 PolarHBondContact O-N 3.09Å; I14-M17 PolarHBondContact O-N 2.9Å; I14-M17 VanDerWaalsContact O-N 3.17Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.14Å; M17-T20 PolarHBondContact O-OG1 3.37Å; M17-K21 PolarHBondContact O-N 2.62Å |
| 18 | F | 72.2 | Confident | 71 | Confident | 128 Ų | 128 | 112.9 Ų | 112.9 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.3 | -43.2 | 174 | -81.3 | -71.3 | 0 | 0 | 0 | 111.8 | I14 L15 S16 T20 K21 M22 | I14-F18 HydrophobicContact CG2-CD2 3.7Å; I14-F18 HydrophobicContact CG2-CE2 3.36Å; I14-F18 WeakPolarHBondContact O-CD2 2.91Å; I14-F18 PolarHBondContact O-N 2.7Å; L15-F18 PolarHBondContact O-N 3.04Å; L15-F18 VanDerWaalsContact O-N 3.16Å; S16-F18 VanDerWaalsContact C-N 3.31Å; S16-F18 PolarHBondContact O-N 3.31Å; F18-T20 VanDerWaalsContact C-N 3.33Å; F18-T20 PolarHBondContact O-N 3.37Å; F18-K21 PolarHBondContact O-N 3.42Å; F18-M22 PolarHBondContact O-N 2.95Å |
| 19 | I | 72.3 | Confident | 71 | Confident | 105 Ų | 105 | 108.4 Ų | 108.4 | 54% | 0.538 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.5 | -42.5 | 178.6 | -61.8 | 162.5 | 0 | 0 | 0 | 110.5 | L15 S16 K21 M22 | L15-I19 HydrophobicContact CG-CD1 4.32Å; L15-I19 VanDerWaalsContact O-CG1 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 2.87Å; L15-I19 PolarHBondContact O-N 2.76Å; S16-I19 PolarHBondContact O-N 3.49Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.01Å; I19-M22 PolarHBondContact O-N 2.9Å |
| 20 | T | 68.8 | Low | 71.1 | Confident | 90 Ų | 90 | 106.6 Ų | 106.6 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.5 | -25.6 | 178 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | S16 M17 F18 | S16-T20 PolarHBondContact O-N 3.29Å; S16-T20 VanDerWaalsContact O-N 3.15Å; S16-T20 PolarHBondContact O-OG1 2.73Å; M17-T20 PolarHBondContact O-OG1 3.37Å; F18-T20 VanDerWaalsContact C-N 3.33Å; F18-T20 PolarHBondContact O-N 3.37Å |
| 21 | K | 63.7 | Low | 71.2 | Confident | 150 Ų | 150 | 106.3 Ų | 106.3 | 65% | 0.652 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -77.7 | -31.6 | 178.8 | -82 | -170.1 | 165.3 | 73.4 | 0 | 112.4 | M17 F18 I19 E23 F24 | M17-K21 PolarHBondContact O-N 2.62Å; F18-K21 PolarHBondContact O-N 3.42Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.01Å; K21-E23 VanDerWaalsContact C-N 3.32Å; K21-E23 PolarHBondContact O-N 3.09Å; K21-F24 PolarHBondContact O-N 3.25Å |
| 22 | M | 58 | Low | 71.3 | Confident | 151 Ų | 151 | 109 Ų | 109 | 74% | 0.744 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.2 | -24.9 | -175.7 | -69.9 | -153.5 | -71.2 | 0 | 0 | 113.4 | F18 I19 F24 | F18-M22 PolarHBondContact O-N 2.95Å; I19-M22 PolarHBondContact O-N 2.9Å; M22-F24 PolarHBondContact O-N 3.33Å |
| 23 | E | 57.7 | Low | 71.4 | Confident | 172 Ų | 172 | 106 Ų | 106 | 80% | 0.804 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -71.7 | -12.5 | 179.8 | -164.4 | 149.8 | 80.2 | 0 | 0 | 113.3 | K21 | K21-E23 VanDerWaalsContact C-N 3.32Å; K21-E23 PolarHBondContact O-N 3.09Å |
| 24 | F | 54 | Low | 71.6 | Confident | 137 Ų | 137 | 103.5 Ų | 103.5 | 60% | 0.601 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -100.5 | 9.8 | -171.4 | -147.3 | -101.7 | 0 | 0 | 0 | 115.8 | K21 M22 N28 | K21-F24 PolarHBondContact O-N 3.25Å; M22-F24 PolarHBondContact O-N 3.33Å; F24-N28 WeakPolarHBondContact CE1-ND2 3.15Å |
| 25 | S | 52.7 | Low | 71.7 | Confident | 105 Ų | 105 | 105.4 Ų | 105.4 | 73% | 0.734 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -86.5 | -7.7 | 174.1 | -74.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 26 | D | 53.9 | Low | 71.8 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -113.3 | 6.1 | -165.6 | -136.1 | -100.8 | 0 | 0 | 0 | 116.8 | ||
| 27 | S | 58.5 | Low | 71.5 | Confident | 81 Ų | 81 | 98.9 Ų | 98.9 | 57% | 0.566 | 51% | 0.512 | S | S | * | . | trans | -148.9 | 22.4 | -175 | 75 | 0 | 0 | 0 | 0 | 117.6 | C29 | S27-C29 PolarHBondContact O-N 2.85Š| ||
| 28 | N | 67.8 | Low | 71.1 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | trans | -76.7 | 84.8 | 158.5 | -69.5 | -59.3 | 0 | 0 | 0 | 107.1 | F24 | F24-N28 WeakPolarHBondContact CE1-ND2 3.15Š| ||
| 29 | C | 78.8 | Confident | 70.8 | Confident | 53 Ų | 53 | 97.9 Ų | 97.9 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 144.1 | 169.9 | 64.8 | 0 | 0 | 0 | 0 | 108.7 | S27 P43 C45 | S27-C29 PolarHBondContact O-N 2.85Å; C29-P43 CarbonylContact C-O 3.53Å; C29-P43 WeakPolarHBondContact CA-O 3.26Å; C29-C45 VanDerWaalsContact CA-SG 3.59Å; C29-C45 HydrophobicContact CB-CB 3.86Å; C29-C45 WeakPolarHBondContact CB-SG 3.45Å; C29-C45 PolarHBondContact O-SG 3.48Å; C29-C45 VanDerWaalsContact SG-CA 3.53Å; C29-C45 WeakPolarHBondContact SG-CB 2.97Å; C29-C45 CovalentContact SG-SG 2.02Å; C29-C45 PolarHBondContact SG-SG 2.03Å |
| 30 | K | 82.9 | Confident | 70.4 | Confident | 60 Ų | 60 | 98.5 Ų | 98.5 | 26% | 0.261 | 52% | 0.519 | S | S | . | . | B | Isolated β-bridge | trans | -83.2 | 128.7 | -175.9 | -63.5 | -62.4 | -175.1 | 179.3 | 0 | 110.1 | E34 P43 C44 C45 C60 | K30-E34 WeakPolarHBondContact CA-OE2 3.38Å; K30-E34 HydrophobicContact CB-CB 4.06Å; K30-E34 HydrophobicContact CD-CB 4.24Å; K30-P43 PolarHBondContact N-O 3.01Å; K30-C44 CarbonylContact O-C 3.38Å; K30-C44 WeakPolarHBondContact O-CA 3.1Å; K30-C45 PolarHBondContact O-N 3.09Å; K30-C60 WeakPolarHBondContact CB-SG 3.04Å |
| 31 | Q | 86.5 | Confident | 70.1 | Confident | 136 Ų | 136 | 101.4 Ų | 101.4 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -74 | 169.7 | 175.1 | -60.2 | -170.2 | 20.3 | 0 | 0 | 111.2 | G33 E34 C60 | Q31-G33 PolarHBondContact O-N 2.79Å; Q31-E34 HydrophobicContact CB-CG 4.24Å; Q31-E34 WeakPolarHBondContact CB-OE2 3.44Å; Q31-E34 PolarHBondContact N-OE2 3.36Å; Q31-E34 VanDerWaalsContact O-CB 3.32Å; Q31-E34 WeakPolarHBondContact O-CB 3.24Å; Q31-E34 PolarHBondContact O-N 3.03Å; Q31-E34 VanDerWaalsContact O-N 3.07Å; Q31-C60 VanDerWaalsContact O-CB 3.27Å; Q31-C60 WeakPolarHBondContact O-CB 3.37Å |
| 32 | K | 85.9 | Confident | 70.3 | Confident | 137 Ų | 137 | 95.6 Ų | 95.6 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 129.2 | 179.1 | -178.7 | -179.3 | 173.3 | 172.5 | 0 | 111 | E34 L48 D62 | K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 PolarHBondContact O-N 2.94Å; K32-L48 HydrophobicContact CB-CD1 4.02Å; K32-L48 HydrophobicContact CB-CD2 3.96Å; K32-L48 HydrophobicContact CG-CD2 4.23Å; K32-L48 VanDerWaalsContact N-CD1 3.35Å; K32-D62 WeakPolarHBondContact CD-OD2 3.27Å; K32-D62 WeakPolarHBondContact CE-OD2 2.94Å; K32-D62 IonicContact NZ-OD2 2.62Å; K32-D62 PolarHBondContact NZ-OD2 2.91Å |
| 33 | G | 83.8 | Confident | 71.1 | Confident | 47 Ų | 47 | 91.2 Ų | 91.2 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -12 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q31 C60 | Q31-G33 PolarHBondContact O-N 2.79Å; G33-C60 PolarHBondContact N-O 3.37Å |
| 34 | E | 86.3 | Confident | 72.2 | Confident | 80 Ų | 80 | 84 Ų | 84 | 37% | 0.374 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -71.4 | 152.7 | 173.9 | -65.8 | -162.4 | 90.7 | 0 | 0 | 111.5 | K30 Q31 K32 C36 K59 C60 | K30-E34 WeakPolarHBondContact CA-OE2 3.38Å; K30-E34 HydrophobicContact CB-CB 4.06Å; K30-E34 HydrophobicContact CD-CB 4.24Å; Q31-E34 HydrophobicContact CB-CG 4.24Å; Q31-E34 WeakPolarHBondContact CB-OE2 3.44Å; Q31-E34 PolarHBondContact N-OE2 3.36Å; Q31-E34 VanDerWaalsContact O-CB 3.32Å; Q31-E34 WeakPolarHBondContact O-CB 3.24Å; Q31-E34 PolarHBondContact O-N 3.03Å; Q31-E34 VanDerWaalsContact O-N 3.07Å; K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 PolarHBondContact O-N 2.94Å; E34-C36 PolarHBondContact O-N 3.33Å; E34-K59 WeakPolarHBondContact O-CA 3.48Å; E34-C60 PolarHBondContact O-N 3.26Å |
| 35 | E | 85.2 | Confident | 73.6 | Confident | 116 Ų | 116 | 79.2 Ų | 79.2 | 54% | 0.542 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 129.7 | 177.2 | -163.5 | -179.1 | 130.2 | 0 | 0 | 110.6 | H57 G58 | E35-H57 IonicContact OE1-CE1 3.59Å; E35-H57 IonicContact OE1-CG 3.87Å; E35-H57 IonicContact OE1-ND1 2.78Å; E35-H57 PolarHBondContact OE1-ND1 2.86Å; E35-G58 CarbonylContact C-O 3.58Å; E35-G58 WeakPolarHBondContact CA-O 3.16Å; E35-G58 WeakPolarHBondContact CG-O 3.42Å |
| 36 | C | 83.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 159.1 | 177.7 | 63.1 | 0 | 0 | 0 | 0 | 110 | E34 C50 G58 K59 | E34-C36 PolarHBondContact O-N 3.33Å; C36-C50 VanDerWaalsContact C-SG 3.52Å; C36-C50 HydrophobicContact CB-CB 3.82Å; C36-C50 WeakPolarHBondContact CB-SG 3.03Å; C36-C50 WeakPolarHBondContact SG-CA 3.36Å; C36-C50 WeakPolarHBondContact SG-CB 3.06Å; C36-C50 CovalentContact SG-SG 2.02Å; C36-C50 PolarHBondContact SG-SG 3.39Å; C36-G58 PolarHBondContact N-O 2.02Å; C36-G58 PolarHBondContact O-N 3.5Å; C36-G58 PolarHBondContact SG-O 3.42Å; C36-K59 PolarHBondContact SG-N 2.84Å; C36-K59 VanDerWaalsContact SG-N 3.42Å |
| 37 | S | 75.5 | Confident | 75.9 | Confident | 28 Ų | 28 | 78.3 Ų | 78.3 | 20% | 0.196 | 44% | 0.44 | C | S | . | . | trans | -123.7 | 153.3 | 172.5 | -57.1 | 0 | 0 | 0 | 0 | 108.4 | T39 F56 | S37-T39 WeakPolarHBondContact CB-OG1 3.43Å; S37-T39 PolarHBondContact O-N 3.39Å; S37-F56 VanDerWaalsContact CA-O 3.31Å; S37-F56 WeakPolarHBondContact CA-O 3.45Å; S37-F56 VanDerWaalsContact CB-O 3.32Å; S37-F56 WeakPolarHBondContact CB-O 3.39Å; S37-F56 PolarHBondContact OG-O 3.14Å | ||
| 38 | K | 66.3 | Low | 77 | Confident | 144 Ų | 144 | 75.8 Ų | 75.8 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -65.9 | 3.2 | 176 | -156.2 | 174.6 | 178.9 | 174.5 | 0 | 113.2 | L52 | K38-L52 HydrophobicContact CB-CD1 4.25Å; K38-L52 HydrophobicContact CB-CD2 4.29Å; K38-L52 HydrophobicContact CD-CD1 4.39Å; K38-L52 HydrophobicContact CD-CD2 4.36Å; K38-L52 HydrophobicContact CG-CD1 4.44Å |
| 39 | T | 65.7 | Low | 77.7 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 41% | 0.405 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -87.2 | 156.2 | 177.2 | 58.3 | 0 | 0 | 0 | 0 | 111 | S37 F41 | S37-T39 WeakPolarHBondContact CB-OG1 3.43Å; S37-T39 PolarHBondContact O-N 3.39Å; T39-F41 PolarHBondContact O-N 3.1Å; T39-F41 VanDerWaalsContact O-N 3.14Å |
| 40 | V | 63.8 | Low | 77.8 | Confident | 118 Ų | 118 | 69.9 Ų | 69.9 | 72% | 0.715 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.1 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | S42 P43 | V40-S42 VanDerWaalsContact C-N 3.34Å; V40-S42 PolarHBondContact O-N 3.01Å; V40-P43 WeakPolarHBondContact O-CD 3.25Å |
| 41 | F | 62.4 | Low | 77.7 | Confident | 152 Ų | 152 | 69.7 Ų | 69.7 | 67% | 0.667 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -22.6 | -176.3 | -62.3 | -68.5 | 0 | 0 | 0 | 114.8 | T39 | T39-F41 PolarHBondContact O-N 3.1Å; T39-F41 VanDerWaalsContact O-N 3.14Å |
| 42 | S | 67.5 | Low | 77.4 | Confident | 28 Ų | 28 | 66 Ų | 66 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -133.9 | 62.9 | -176.6 | -64.6 | 0 | 0 | 0 | 0 | 112 | V40 | V40-S42 VanDerWaalsContact C-N 3.34Å; V40-S42 PolarHBondContact O-N 3.01Å |
| 43 | P | 75.3 | Confident | 77.1 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 145.2 | 179 | 31.5 | -32.4 | 0 | 0 | 0 | 110.3 | C29 K30 V40 | C29-P43 CarbonylContact C-O 3.53Å; C29-P43 WeakPolarHBondContact CA-O 3.26Å; K30-P43 PolarHBondContact N-O 3.01Å; V40-P43 WeakPolarHBondContact O-CD 3.25Å |
| 44 | C | 81.2 | Confident | 76.6 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 14% | 0.142 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 146.5 | 171.5 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | K30 L48 C60 | K30-C44 CarbonylContact O-C 3.38Å; K30-C44 WeakPolarHBondContact O-CA 3.1Å; C44-L48 HydrophobicContact CB-CB 3.52Å; C44-L48 WeakPolarHBondContact CB-O 3.41Å; C44-C60 VanDerWaalsContact CA-SG 3.57Å; C44-C60 HydrophobicContact CB-CB 3.74Å; C44-C60 WeakPolarHBondContact CB-SG 3.35Å; C44-C60 WeakPolarHBondContact SG-CA 3.32Å; C44-C60 WeakPolarHBondContact SG-CB 3.22Å; C44-C60 CovalentContact SG-SG 2.03Å; C44-C60 PolarHBondContact SG-SG 2.02Å |
| 45 | C | 82.9 | Confident | 76.1 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -71.4 | 138.6 | 179.6 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | C29 K30 N47 L48 | C29-C45 VanDerWaalsContact CA-SG 3.59Å; C29-C45 HydrophobicContact CB-CB 3.86Å; C29-C45 WeakPolarHBondContact CB-SG 3.45Å; C29-C45 PolarHBondContact O-SG 3.48Å; C29-C45 VanDerWaalsContact SG-CA 3.53Å; C29-C45 WeakPolarHBondContact SG-CB 2.97Å; C29-C45 CovalentContact SG-SG 2.02Å; C29-C45 PolarHBondContact SG-SG 2.03Å; K30-C45 PolarHBondContact O-N 3.09Å; C45-N47 PolarHBondContact O-N 2.94Å; C45-L48 WeakPolarHBondContact O-CB 3.47Å; C45-L48 WeakPolarHBondContact O-CD1 3.32Å; C45-L48 WeakPolarHBondContact O-CG 3.42Å; C45-L48 PolarHBondContact O-N 2.71Å |
| 46 | G | 79.6 | Confident | 75.5 | Confident | 68 Ų | 68 | 73.8 Ų | 73.8 | 70% | 0.701 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | -122.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 47 | N | 75.8 | Confident | 75.3 | Confident | 115 Ų | 115 | 78 Ų | 78 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 11.1 | -178.5 | -62.7 | -42.9 | 0 | 0 | 0 | 113.4 | C45 | C45-N47 PolarHBondContact O-N 2.94Š|
| 48 | L | 81.6 | Confident | 75.8 | Confident | 27 Ų | 27 | 76.9 Ų | 76.9 | 14% | 0.141 | 41% | 0.413 | C | S | . | . | trans | -76.6 | 141.2 | 177.8 | -65.1 | 171.2 | 0 | 0 | 0 | 110.1 | K32 C44 C45 C60 V61 D62 | K32-L48 HydrophobicContact CB-CD1 4.02Å; K32-L48 HydrophobicContact CB-CD2 3.96Å; K32-L48 HydrophobicContact CG-CD2 4.23Å; K32-L48 VanDerWaalsContact N-CD1 3.35Å; C44-L48 HydrophobicContact CB-CB 3.52Å; C44-L48 WeakPolarHBondContact CB-O 3.41Å; C45-L48 WeakPolarHBondContact O-CB 3.47Å; C45-L48 WeakPolarHBondContact O-CD1 3.32Å; C45-L48 WeakPolarHBondContact O-CG 3.42Å; C45-L48 PolarHBondContact O-N 2.71Å; L48-C60 HydrophobicContact CB-CB 4.3Å; L48-C60 HydrophobicContact CD1-CB 4.29Å; L48-V61 WeakPolarHBondContact CA-O 3.5Å; L48-D62 WeakPolarHBondContact CD2-OD1 2.94Å | ||
| 49 | V | 81.3 | Confident | 76.8 | Confident | 8 Ų | 8 | 75.1 Ų | 75.1 | 5% | 0.048 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 146.3 | 173.6 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | K51 C60 V61 Y72 C73 | V49-K51 PolarHBondContact O-N 3.49Å; V49-C60 WeakPolarHBondContact O-CA 3.27Å; V49-V61 HydrophobicContact CG2-CG2 3.96Å; V49-V61 PolarHBondContact N-O 2.77Å; V49-V61 PolarHBondContact O-N 3.3Å; V49-Y72 HydrophobicContact CG2-CD1 4.37Å; V49-C73 VanDerWaalsContact CG1-SG 3.51Å; V49-C73 WeakPolarHBondContact CG2-SG 3.47Å |
| 50 | C | 81 | Confident | 77.9 | Confident | 23 Ų | 23 | 72 Ų | 72 | 16% | 0.155 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 103.3 | 172.8 | -173 | 0 | 0 | 0 | 0 | 109.6 | C36 Y72 | C36-C50 VanDerWaalsContact C-SG 3.52Å; C36-C50 HydrophobicContact CB-CB 3.82Å; C36-C50 WeakPolarHBondContact CB-SG 3.03Å; C36-C50 WeakPolarHBondContact SG-CA 3.36Å; C36-C50 WeakPolarHBondContact SG-CB 3.06Å; C36-C50 CovalentContact SG-SG 2.02Å; C36-C50 PolarHBondContact SG-SG 3.39Å; C50-Y72 WeakPolarHBondContact O-CE1 3.32Å; C50-Y72 PolarHBondContact O-OH 3.07Å; C50-Y72 VanDerWaalsContact O-OH 3.09Å |
| 51 | K | 80.7 | Confident | 78.9 | Confident | 55 Ų | 55 | 67.8 Ų | 67.8 | 24% | 0.239 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 113.3 | 174.2 | 178.7 | 177.5 | 179 | 169.8 | 0 | 109 | V49 D53 G58 K59 V61 D69 | V49-K51 PolarHBondContact O-N 3.49Å; K51-D53 PolarHBondContact O-N 2.85Å; K51-G58 CarbonylContact O-C 3.45Å; K51-G58 WeakPolarHBondContact O-CA 3.33Å; K51-K59 PolarHBondContact N-O 3.47Å; K51-K59 PolarHBondContact O-N 2.78Å; K51-V61 HydrophobicContact CB-CG1 4.45Å; K51-V61 HydrophobicContact CB-CG2 3.6Å; K51-V61 HydrophobicContact CD-CG2 4.09Å; K51-D69 WeakPolarHBondContact CD-OD1 3.5Å; K51-D69 WeakPolarHBondContact CE-OD1 3.19Å; K51-D69 IonicContact NZ-OD1 2.73Å; K51-D69 PolarHBondContact NZ-OD1 2.89Å; K51-D69 IonicContact NZ-OD2 2.87Å; K51-D69 PolarHBondContact NZ-OD2 3.34Å |
| 52 | L | 80.3 | Confident | 80 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 117.9 | 179.1 | -76.8 | 77.3 | 0 | 0 | 0 | 110 | K38 H57 | K38-L52 HydrophobicContact CB-CD1 4.25Å; K38-L52 HydrophobicContact CB-CD2 4.29Å; K38-L52 HydrophobicContact CD-CD1 4.39Å; K38-L52 HydrophobicContact CD-CD2 4.36Å; K38-L52 HydrophobicContact CG-CD1 4.44Å; L52-H57 WeakPolarHBondContact CA-O 3Å |
| 53 | D | 79.2 | Confident | 80.4 | Confident | 109 Ų | 109 | 63.2 Ų | 63.2 | 58% | 0.583 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -89.1 | -24.9 | 169.9 | -66.2 | -56.8 | 0 | 0 | 0 | 110.9 | K51 H57 | K51-D53 PolarHBondContact O-N 2.85Å; D53-H57 PolarHBondContact N-O 3.34Å; D53-H57 VanDerWaalsContact N-O 3.1Å |
| 54 | Q | 74.3 | Confident | 80.2 | Confident | 150 Ų | 150 | 67.9 Ų | 67.9 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -137.8 | 171.5 | -179 | -116.2 | 169.8 | -21.4 | 0 | 0 | 111.4 | F56 H57 | Q54-F56 PolarHBondContact O-N 2.84Å; Q54-H57 HydrophobicContact CB-CB 4.36Å; Q54-H57 PolarHBondContact N-O 3.37Å; Q54-H57 PolarHBondContact O-N 2.91Å; Q54-H57 VanDerWaalsContact O-O 3.09Å |
| 55 | L | 75 | Confident | 79.5 | Confident | 149 Ų | 149 | 70.1 Ų | 70.1 | 78% | 0.78 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -56.3 | 114.5 | 172.6 | -98.6 | 74.2 | 0 | 0 | 0 | 109.3 | H57 | L55-H57 PolarHBondContact O-CD2 3.43Å; L55-H57 PolarHBondContact O-N 3.13Å; L55-H57 VanDerWaalsContact O-N 3.13Å |
| 56 | F | 72.4 | Confident | 78.7 | Confident | 137 Ų | 137 | 73.3 Ų | 73.3 | 60% | 0.601 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 66.6 | -5.1 | 179.6 | -52.6 | -78.6 | 0 | 0 | 0 | 117.8 | S37 Q54 | S37-F56 VanDerWaalsContact CA-O 3.31Å; S37-F56 WeakPolarHBondContact CA-O 3.45Å; S37-F56 VanDerWaalsContact CB-O 3.32Å; S37-F56 WeakPolarHBondContact CB-O 3.39Å; S37-F56 PolarHBondContact OG-O 3.14Å; Q54-F56 PolarHBondContact O-N 2.84Å |
| 57 | H | 79.3 | Confident | 78.4 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | trans | -115.7 | 133.8 | 177.4 | -66.8 | -96.3 | 0 | 0 | 0 | 110.9 | E35 L52 D53 Q54 L55 | E35-H57 IonicContact OE1-CE1 3.59Å; E35-H57 IonicContact OE1-CG 3.87Å; E35-H57 IonicContact OE1-ND1 2.78Å; E35-H57 PolarHBondContact OE1-ND1 2.86Å; L52-H57 WeakPolarHBondContact CA-O 3Å; D53-H57 PolarHBondContact N-O 3.34Å; D53-H57 VanDerWaalsContact N-O 3.1Å; Q54-H57 HydrophobicContact CB-CB 4.36Å; Q54-H57 PolarHBondContact N-O 3.37Å; Q54-H57 PolarHBondContact O-N 2.91Å; Q54-H57 VanDerWaalsContact O-O 3.09Å; L55-H57 PolarHBondContact O-CD2 3.43Å; L55-H57 PolarHBondContact O-N 3.13Å; L55-H57 VanDerWaalsContact O-N 3.13Å | ||
| 58 | G | 86.7 | Confident | 78.1 | Confident | 3 Ų | 3 | 79.3 Ų | 79.3 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | -176.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E35 C36 K51 | E35-G58 CarbonylContact C-O 3.58Å; E35-G58 WeakPolarHBondContact CA-O 3.16Å; E35-G58 WeakPolarHBondContact CG-O 3.42Å; C36-G58 PolarHBondContact N-O 2.02Å; C36-G58 PolarHBondContact O-N 3.5Å; C36-G58 PolarHBondContact SG-O 3.42Å; K51-G58 CarbonylContact O-C 3.45Å; K51-G58 WeakPolarHBondContact O-CA 3.33Å |
| 59 | K | 87.9 | Confident | 77.5 | Confident | 108 Ų | 108 | 78.5 Ų | 78.5 | 47% | 0.47 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.1 | 175.1 | -68.1 | 178.9 | -177.8 | 176.1 | 0 | 111.4 | E34 C36 K51 V61 | E34-K59 WeakPolarHBondContact O-CA 3.48Å; C36-K59 PolarHBondContact SG-N 2.84Å; C36-K59 VanDerWaalsContact SG-N 3.42Å; K51-K59 PolarHBondContact N-O 3.47Å; K51-K59 PolarHBondContact O-N 2.78Å; K59-V61 PolarHBondContact O-N 3.18Å |
| 60 | C | 87.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 118 | 173.3 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | K30 Q31 G33 E34 C44 L48 V49 | K30-C60 WeakPolarHBondContact CB-SG 3.04Å; Q31-C60 VanDerWaalsContact O-CB 3.27Å; Q31-C60 WeakPolarHBondContact O-CB 3.37Å; G33-C60 PolarHBondContact N-O 3.37Å; E34-C60 PolarHBondContact O-N 3.26Å; C44-C60 VanDerWaalsContact CA-SG 3.57Å; C44-C60 HydrophobicContact CB-CB 3.74Å; C44-C60 WeakPolarHBondContact CB-SG 3.35Å; C44-C60 WeakPolarHBondContact SG-CA 3.32Å; C44-C60 WeakPolarHBondContact SG-CB 3.22Å; C44-C60 CovalentContact SG-SG 2.03Å; C44-C60 PolarHBondContact SG-SG 2.02Å; L48-C60 HydrophobicContact CB-CB 4.3Å; L48-C60 HydrophobicContact CD1-CB 4.29Å; V49-C60 WeakPolarHBondContact O-CA 3.27Å |
| 61 | V | 86 | Confident | 76.9 | Confident | 29 Ų | 29 | 83.8 Ų | 83.8 | 18% | 0.176 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 157.1 | -179.3 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | L48 V49 K51 K59 | L48-V61 WeakPolarHBondContact CA-O 3.5Å; V49-V61 HydrophobicContact CG2-CG2 3.96Å; V49-V61 PolarHBondContact N-O 2.77Å; V49-V61 PolarHBondContact O-N 3.3Å; K51-V61 HydrophobicContact CB-CG1 4.45Å; K51-V61 HydrophobicContact CB-CG2 3.6Å; K51-V61 HydrophobicContact CD-CG2 4.09Å; K59-V61 PolarHBondContact O-N 3.18Å |
| 62 | D | 84.8 | Confident | 76.6 | Confident | 59 Ų | 59 | 84.3 Ų | 84.3 | 32% | 0.316 | 43% | 0.434 | S | S | . | . | trans | -74.6 | 144.8 | 170.4 | -61.2 | -68.8 | 0 | 0 | 0 | 110.2 | K32 L48 L64 S65 | K32-D62 WeakPolarHBondContact CD-OD2 3.27Å; K32-D62 WeakPolarHBondContact CE-OD2 2.94Å; K32-D62 IonicContact NZ-OD2 2.62Å; K32-D62 PolarHBondContact NZ-OD2 2.91Å; L48-D62 WeakPolarHBondContact CD2-OD1 2.94Å; D62-L64 PolarHBondContact O-N 3.43Å; D62-S65 PolarHBondContact O-N 3.15Å; D62-S65 PolarHBondContact O-OG 3.46Å | ||
| 63 | C | 75 | Confident | 76.2 | Confident | 26 Ų | 26 | 81.8 Ų | 81.8 | 18% | 0.176 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.2 | 179.4 | -72.5 | 0 | 0 | 0 | 0 | 115.9 | V70 C73 | C63-V70 WeakPolarHBondContact O-CG2 3.47Å; C63-C73 WeakPolarHBondContact CA-SG 3.32Å; C63-C73 HydrophobicContact CB-CB 3.48Å; C63-C73 VanDerWaalsContact CB-CB 3.48Å; C63-C73 WeakPolarHBondContact CB-SG 3.44Å; C63-C73 WeakPolarHBondContact SG-CB 3.48Å; C63-C73 CovalentContact SG-SG 2.01Å; C63-C73 PolarHBondContact SG-SG 3.4Å |
| 64 | L | 71.8 | Confident | 75.9 | Confident | 157 Ų | 157 | 83.3 Ų | 83.3 | 82% | 0.822 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 5.6 | -174.7 | -66 | 165.1 | 0 | 0 | 0 | 113.3 | D62 | D62-L64 PolarHBondContact O-N 3.43Š|
| 65 | S | 66.8 | Low | 75.8 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 47% | 0.469 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -73.2 | -34.7 | -173.1 | -65.6 | 0 | 0 | 0 | 0 | 114.7 | D62 | D62-S65 PolarHBondContact O-N 3.15Å; D62-S65 PolarHBondContact O-OG 3.46Å |
| 66 | L | 65.6 | Low | 75.5 | Confident | 103 Ų | 103 | 74.4 Ų | 74.4 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | trans | -145.8 | 152.7 | 172.7 | -71.5 | 108.7 | 0 | 0 | 0 | 110.7 | K68 D69 V70 | L66-K68 PolarHBondContact O-N 3.33Å; L66-K68 VanDerWaalsContact O-N 3.16Å; L66-D69 HydrophobicContact CB-CB 4.48Å; L66-D69 WeakPolarHBondContact CB-OD2 3.35Å; L66-D69 VanDerWaalsContact CD1-OD2 3.24Å; L66-D69 WeakPolarHBondContact CD1-OD2 3.32Å; L66-D69 WeakPolarHBondContact O-CA 2.99Å; L66-D69 WeakPolarHBondContact O-CB 3.44Å; L66-D69 PolarHBondContact O-N 3.01Å; L66-V70 PolarHBondContact O-N 3.33Å; L66-V70 VanDerWaalsContact O-N 3.12Å | ||
| 67 | V | 72.8 | Confident | 75.2 | Confident | 128 Ų | 128 | 69.8 Ų | 69.8 | 78% | 0.776 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -54.7 | -36.2 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 112.5 | D69 V70 | V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 3.36Å; V67-V70 WeakPolarHBondContact O-CB 3.42Å; V67-V70 PolarHBondContact O-N 3.47Å |
| 68 | K | 69.7 | Low | 74.1 | Confident | 180 Ų | 180 | 69.4 Ų | 69.4 | 78% | 0.783 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.2 | -33.4 | 175.8 | -68.4 | -177.5 | 177.3 | 176.4 | 0 | 112.5 | L66 V70 Y72 | L66-K68 PolarHBondContact O-N 3.33Å; L66-K68 VanDerWaalsContact O-N 3.16Å; K68-V70 VanDerWaalsContact C-N 3.34Å; K68-Y72 PolarHBondContact O-N 3.16Å |
| 69 | D | 69.2 | Low | 72.6 | Confident | 10 Ų | 10 | 76.4 Ų | 76.4 | 5% | 0.053 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -74.5 | -28.4 | 179 | -62.4 | -30.8 | 0 | 0 | 0 | 111.4 | K51 L66 V67 V71 Y72 C73 | K51-D69 WeakPolarHBondContact CD-OD1 3.5Å; K51-D69 WeakPolarHBondContact CE-OD1 3.19Å; K51-D69 IonicContact NZ-OD1 2.73Å; K51-D69 PolarHBondContact NZ-OD1 2.89Å; K51-D69 IonicContact NZ-OD2 2.87Å; K51-D69 PolarHBondContact NZ-OD2 3.34Å; L66-D69 HydrophobicContact CB-CB 4.48Å; L66-D69 WeakPolarHBondContact CB-OD2 3.35Å; L66-D69 VanDerWaalsContact CD1-OD2 3.24Å; L66-D69 WeakPolarHBondContact CD1-OD2 3.32Å; L66-D69 WeakPolarHBondContact O-CA 2.99Å; L66-D69 WeakPolarHBondContact O-CB 3.44Å; L66-D69 PolarHBondContact O-N 3.01Å; V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 3.36Å; D69-V71 PolarHBondContact O-N 3.37Å; D69-Y72 PolarHBondContact O-N 3.17Å; D69-C73 VanDerWaalsContact O-CB 3.25Å; D69-C73 WeakPolarHBondContact O-CB 3.31Å; D69-C73 PolarHBondContact O-N 3.4Å |
| 70 | V | 73.3 | Confident | 70.9 | Confident | 46 Ų | 46 | 73.7 Ų | 73.7 | 28% | 0.279 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.8 | -49.3 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | C63 L66 V67 K68 C73 F74 | C63-V70 WeakPolarHBondContact O-CG2 3.47Å; L66-V70 PolarHBondContact O-N 3.33Å; L66-V70 VanDerWaalsContact O-N 3.12Å; V67-V70 WeakPolarHBondContact O-CB 3.42Å; V67-V70 PolarHBondContact O-N 3.47Å; K68-V70 VanDerWaalsContact C-N 3.34Å; V70-C73 WeakPolarHBondContact O-CB 3.34Å; V70-C73 PolarHBondContact O-N 3.42Å; V70-F74 HydrophobicContact CG1-CD2 3.67Å; V70-F74 HydrophobicContact CG1-CE2 3.39Å; V70-F74 WeakPolarHBondContact O-CD2 3.28Å; V70-F74 PolarHBondContact O-N 3.17Å |
| 71 | V | 76.9 | Confident | 69.1 | Low | 96 Ų | 96 | 80.6 Ų | 80.6 | 58% | 0.582 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 178 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | D69 C73 F74 V75 | D69-V71 PolarHBondContact O-N 3.37Å; V71-C73 VanDerWaalsContact C-N 3.25Å; V71-C73 PolarHBondContact O-N 3.07Å; V71-F74 PolarHBondContact O-N 3.41Å; V71-V75 WeakPolarHBondContact O-CG2 3.47Å; V71-V75 PolarHBondContact O-N 2.94Å; V71-V75 VanDerWaalsContact O-N 3.13Å |
| 72 | Y | 73.5 | Confident | 67.3 | Low | 67 Ų | 67 | 84.4 Ų | 84.4 | 26% | 0.263 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58 | -41.6 | 176.3 | -176.6 | -95.8 | 0 | 0 | 0 | 111.8 | V49 C50 K68 D69 V75 N76 | V49-Y72 HydrophobicContact CG2-CD1 4.37Å; C50-Y72 WeakPolarHBondContact O-CE1 3.32Å; C50-Y72 PolarHBondContact O-OH 3.07Å; C50-Y72 VanDerWaalsContact O-OH 3.09Å; K68-Y72 PolarHBondContact O-N 3.16Å; D69-Y72 PolarHBondContact O-N 3.17Å; Y72-V75 PolarHBondContact O-N 2.97Å; Y72-N76 HydrophobicContact CE1-CB 4.24Å; Y72-N76 VanDerWaalsContact CE2-ND2 3.32Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.11Å; Y72-N76 WeakPolarHBondContact O-CB 3.44Å; Y72-N76 PolarHBondContact O-N 3.26Å; Y72-N76 PolarHBondContact O-ND2 3.05Å |
| 73 | C | 72.5 | Confident | 65.4 | Low | 5 Ų | 5 | 86.1 Ų | 86.1 | 3% | 0.034 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.8 | -49.3 | 173.9 | -88.6 | 0 | 0 | 0 | 0 | 112.4 | V49 C63 D69 V70 V71 V75 N76 H77 | V49-C73 VanDerWaalsContact CG1-SG 3.51Å; V49-C73 WeakPolarHBondContact CG2-SG 3.47Å; C63-C73 WeakPolarHBondContact CA-SG 3.32Å; C63-C73 HydrophobicContact CB-CB 3.48Å; C63-C73 VanDerWaalsContact CB-CB 3.48Å; C63-C73 WeakPolarHBondContact CB-SG 3.44Å; C63-C73 WeakPolarHBondContact SG-CB 3.48Å; C63-C73 CovalentContact SG-SG 2.01Å; C63-C73 PolarHBondContact SG-SG 3.4Å; D69-C73 VanDerWaalsContact O-CB 3.25Å; D69-C73 WeakPolarHBondContact O-CB 3.31Å; D69-C73 PolarHBondContact O-N 3.4Å; V70-C73 WeakPolarHBondContact O-CB 3.34Å; V70-C73 PolarHBondContact O-N 3.42Å; V71-C73 VanDerWaalsContact C-N 3.25Å; V71-C73 PolarHBondContact O-N 3.07Å; C73-V75 PolarHBondContact O-N 3.48Å; C73-V75 VanDerWaalsContact O-N 3.12Å; C73-N76 CarbonylContact O-C 3.55Å; C73-N76 PolarHBondContact O-N 3.42Å; C73-H77 WeakPolarHBondContact O-CA 3.31Å; C73-H77 WeakPolarHBondContact O-CB 3.27Å; C73-H77 PolarHBondContact O-N 3.04Å |
| 74 | F | 72.2 | Confident | 63.8 | Low | 141 Ų | 141 | 88.6 Ų | 88.6 | 62% | 0.618 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -52.8 | -39 | 176.8 | -85.3 | -70.9 | 0 | 0 | 0 | 112 | V70 V71 N80 | V70-F74 HydrophobicContact CG1-CD2 3.67Å; V70-F74 HydrophobicContact CG1-CE2 3.39Å; V70-F74 WeakPolarHBondContact O-CD2 3.28Å; V70-F74 PolarHBondContact O-N 3.17Å; V71-F74 PolarHBondContact O-N 3.41Å; F74-N80 WeakPolarHBondContact O-CB 3.42Å; F74-N80 PolarHBondContact O-ND2 3.37Å |
| 75 | V | 73.5 | Confident | 62.5 | Low | 57 Ų | 57 | 88 Ų | 88 | 35% | 0.345 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.3 | -37.5 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | V71 Y72 C73 F84 | V71-V75 WeakPolarHBondContact O-CG2 3.47Å; V71-V75 PolarHBondContact O-N 2.94Å; V71-V75 VanDerWaalsContact O-N 3.13Å; Y72-V75 PolarHBondContact O-N 2.97Å; C73-V75 PolarHBondContact O-N 3.48Å; C73-V75 VanDerWaalsContact O-N 3.12Å; V75-F84 HydrophobicContact CB-CE2 4.29Å; V75-F84 HydrophobicContact CB-CZ 4.2Å; V75-F84 HydrophobicContact CG1-CD1 4.26Å; V75-F84 HydrophobicContact CG1-CD2 4.45Å; V75-F84 HydrophobicContact CG1-CE1 3.81Å; V75-F84 HydrophobicContact CG1-CE2 4.02Å; V75-F84 HydrophobicContact CG1-CZ 3.69Å; V75-F84 HydrophobicContact CG2-CE2 4.25Å; V75-F84 HydrophobicContact CG2-CZ 3.91Å |
| 76 | N | 67.3 | Low | 61.1 | Low | 54 Ų | 54 | 93.2 Ų | 93.2 | 29% | 0.289 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -102.2 | -2.1 | -173.1 | -68.9 | -86.6 | 0 | 0 | 0 | 114.8 | Y72 C73 | Y72-N76 HydrophobicContact CE1-CB 4.24Å; Y72-N76 VanDerWaalsContact CE2-ND2 3.32Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.11Å; Y72-N76 WeakPolarHBondContact O-CB 3.44Å; Y72-N76 PolarHBondContact O-N 3.26Å; Y72-N76 PolarHBondContact O-ND2 3.05Å; C73-N76 CarbonylContact O-C 3.55Å; C73-N76 PolarHBondContact O-N 3.42Å |
| 77 | H | 67 | Low | 59.7 | Low | 40 Ų | 40 | 91 Ų | 91 | 19% | 0.185 | 48% | 0.479 | C | S | . | . | trans | -64.7 | 134.6 | -175.4 | -160.2 | -101.1 | 0 | 0 | 0 | 110.1 | C73 L79 N80 K81 | C73-H77 WeakPolarHBondContact O-CA 3.31Å; C73-H77 WeakPolarHBondContact O-CB 3.27Å; C73-H77 PolarHBondContact O-N 3.04Å; H77-L79 PolarHBondContact ND1-N 3.38Å; H77-L79 PolarHBondContact O-N 3.21Å; H77-L79 VanDerWaalsContact O-N 3.14Å; H77-N80 PolarHBondContact O-N 2.96Å; H77-K81 PolarHBondContact O-N 2.98Å; H77-K81 VanDerWaalsContact O-N 3.09Å | ||
| 78 | P | 56.6 | Low | 58.1 | Low | 81 Ų | 81 | 90.1 Ų | 90.1 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.2 | -178.8 | 20 | -31.7 | 0 | 0 | 0 | 113.1 | N80 | P78-N80 PolarHBondContact O-N 2.98Š|
| 79 | L | 54.8 | Low | 56.6 | Low | 151 Ų | 151 | 90.3 Ų | 90.3 | 79% | 0.791 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -24.3 | 175.2 | -62.7 | 174.9 | 0 | 0 | 0 | 114.1 | H77 | H77-L79 PolarHBondContact ND1-N 3.38Å; H77-L79 PolarHBondContact O-N 3.21Å; H77-L79 VanDerWaalsContact O-N 3.14Å |
| 80 | N | 52.5 | Low | 55.1 | Low | 50 Ų | 50 | 97.7 Ų | 97.7 | 27% | 0.267 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -7 | 179 | -164.9 | 33.8 | 0 | 0 | 0 | 113.2 | F74 H77 P78 S82 T83 | F74-N80 WeakPolarHBondContact O-CB 3.42Å; F74-N80 PolarHBondContact O-ND2 3.37Å; H77-N80 PolarHBondContact O-N 2.96Å; P78-N80 PolarHBondContact O-N 2.98Å; N80-S82 PolarHBondContact O-N 3.33Å; N80-T83 PolarHBondContact O-N 3.43Å; N80-T83 PolarHBondContact OD1-OG1 3.35Å; N80-T83 VanDerWaalsContact OD1-OG1 3.1Å |
| 81 | K | 48.5 | Very low | 53.3 | Low | 145 Ų | 145 | 100.8 Ų | 100.8 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.1 | -20.7 | 178.7 | -137.7 | 173.7 | -173 | 178.6 | 0 | 112.8 | H77 T83 | H77-K81 PolarHBondContact O-N 2.98Å; H77-K81 VanDerWaalsContact O-N 3.09Å; K81-T83 PolarHBondContact O-N 3.33Å |
| 82 | S | 48.5 | Very low | 51.6 | Low | 110 Ų | 110 | 106.5 Ų | 106.5 | 77% | 0.769 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67 | -18.3 | 173.4 | -156.4 | 0 | 0 | 0 | 0 | 113.7 | N80 | N80-S82 PolarHBondContact O-N 3.33Å |
| 83 | T | 45.5 | Very low | 50.5 | Low | 94 Ų | 94 | 108.5 Ų | 108.5 | 58% | 0.577 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -96.9 | -27.9 | -178.8 | -41.8 | 0 | 0 | 0 | 0 | 112.4 | N80 K81 | N80-T83 PolarHBondContact O-N 3.43Å; N80-T83 PolarHBondContact OD1-OG1 3.35Å; N80-T83 VanDerWaalsContact OD1-OG1 3.1Å; K81-T83 PolarHBondContact O-N 3.33Å |
| 84 | F | 41.9 | Very low | 49.3 | Very low | 78 Ų | 78 | 113.9 Ų | 113.9 | 34% | 0.342 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -86.1 | -5.9 | -170.9 | -99 | -87.1 | 0 | 0 | 0 | 116 | V75 H86 S87 | V75-F84 HydrophobicContact CB-CE2 4.29Å; V75-F84 HydrophobicContact CB-CZ 4.2Å; V75-F84 HydrophobicContact CG1-CD1 4.26Å; V75-F84 HydrophobicContact CG1-CD2 4.45Å; V75-F84 HydrophobicContact CG1-CE1 3.81Å; V75-F84 HydrophobicContact CG1-CE2 4.02Å; V75-F84 HydrophobicContact CG1-CZ 3.69Å; V75-F84 HydrophobicContact CG2-CE2 4.25Å; V75-F84 HydrophobicContact CG2-CZ 3.91Å; F84-H86 PolarHBondContact O-N 3.41Å; F84-H86 VanDerWaalsContact O-N 3.1Å; F84-S87 WeakPolarHBondContact CD1-OG 3.35Å; F84-S87 WeakPolarHBondContact CE1-OG 3.1Å; F84-S87 PolarHBondContact O-N 3.35Å |
| 85 | I | 43.5 | Very low | 48 | Very low | 146 Ų | 146 | 112.4 Ų | 112.4 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -14.7 | 171.6 | -55.3 | -177.1 | 0 | 0 | 0 | 110.9 | ||
| 86 | H | 36.8 | Very low | 46.5 | Very low | 176 Ų | 176 | 115.6 Ų | 115.6 | 82% | 0.815 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 13.9 | -177.8 | -101.2 | -133.3 | 0 | 0 | 0 | 116.4 | F84 | F84-H86 PolarHBondContact O-N 3.41Å; F84-H86 VanDerWaalsContact O-N 3.1Å |
| 87 | S | 37.9 | Very low | 45.2 | Very low | 55 Ų | 55 | 119.5 Ų | 119.5 | 39% | 0.385 | 66% | 0.657 | S | S | . | * | trans | -135.3 | 85.2 | 177.3 | 58.6 | 0 | 0 | 0 | 0 | 113 | F84 F89 | F84-S87 WeakPolarHBondContact CD1-OG 3.35Å; F84-S87 WeakPolarHBondContact CE1-OG 3.1Å; F84-S87 PolarHBondContact O-N 3.35Å; S87-F89 PolarHBondContact O-N 3.43Å | ||
| 88 | P | 39.5 | Very low | 43.8 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | trans | -75 | 26.3 | 173.7 | 31.7 | -34.6 | 0 | 0 | 0 | 113.9 | ||||
| 89 | F | 37.5 | Very low | 42.9 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 80% | 0.803 | 70% | 0.7 | S | S | * | * | trans | -110.1 | 26.8 | -161.8 | -112.4 | -83.9 | 0 | 0 | 0 | 116.4 | S87 | S87-F89 PolarHBondContact O-N 3.43Š| ||
| 90 | L | 37.2 | Very low | 41.9 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | trans | -130.2 | 65.4 | 166 | -92.2 | 116.8 | 0 | 0 | 0 | 110.9 | ||||
| 91 | S | 35.5 | Very low | 41.1 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -131 | 81.5 | 156.6 | -5.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 92 | V | 40.5 | Very low | 40.4 | Very low | 215 Ų | 215 | 131.4 Ų | 131.4 | 100% | 1.303 | 74% | 0.737 | S | S | * | * | trans | -104.6 | 0 | 156.1 | 175.5 | 0 | 0 | 0 | 0 | 105.4 |
Retrieved 92 of 92 residues in 17 ms
(Link to these results)