| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.1 | Low | 50.1 | Low | 235 Ų | 235 | 155.1 Ų | 155.1 | 100% | 1.158 | 74% | 0.739 | S | S | * | * | 0 | 146.7 | 0 | -63.2 | 175.3 | -170.7 | 0 | 0 | 107.6 | |||||
| 2 | H | 51.1 | Low | 50.3 | Low | 168 Ų | 168 | 151.7 Ų | 151.7 | 78% | 0.778 | 73% | 0.726 | S | S | * | * | trans | 90.4 | 54.8 | -167.8 | -57.6 | -76.7 | 0 | 0 | 0 | 117 | ||||
| 3 | K | 48.8 | Very low | 50.4 | Low | 201 Ų | 201 | 148.8 Ų | 148.8 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -96.2 | 19.1 | 163.2 | -92.6 | -166.8 | 172.6 | -173.2 | 0 | 114.1 | ||||
| 4 | W | 47 | Very low | 50.7 | Low | 222 Ų | 222 | 146.6 Ų | 146.6 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -130.7 | 22.4 | -165.4 | -76.3 | 91.3 | 0 | 0 | 0 | 117 | ||
| 5 | I | 52.6 | Low | 51.1 | Low | 115 Ų | 115 | 146.9 Ų | 146.9 | 59% | 0.59 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -118 | -3.5 | -176.1 | -68.3 | 170.2 | 0 | 0 | 0 | 114.5 | ||
| 6 | L | 48.3 | Very low | 51.3 | Low | 152 Ų | 152 | 147.5 Ų | 147.5 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -100.3 | 1.6 | -175.7 | -99.7 | 113.2 | 0 | 0 | 0 | 116.6 | ||
| 7 | T | 52.7 | Low | 51.7 | Low | 103 Ų | 103 | 142.2 Ų | 142.2 | 63% | 0.632 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -95.9 | -1.5 | -178.1 | 46.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 8 | W | 49 | Very low | 52.1 | Low | 205 Ų | 205 | 142.6 Ų | 142.6 | 78% | 0.777 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -118.8 | 3 | -174 | -75.7 | 86.6 | 0 | 0 | 0 | 116.1 | ||
| 9 | I | 51.5 | Low | 52.5 | Low | 103 Ų | 103 | 140.4 Ų | 140.4 | 53% | 0.528 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -106.1 | -26.4 | -177.4 | -59.2 | 174.8 | 0 | 0 | 0 | 112.7 | P11 L13 | I9-P11 VanDerWaalsContact C-CD 3.47Å; I9-L13 HydrophobicContact CG2-CD1 4.41Å |
| 10 | L | 47.5 | Very low | 52.8 | Low | 123 Ų | 123 | 140.6 Ų | 140.6 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -67.1 | -30.8 | 178 | -103.3 | 87.7 | 0 | 0 | 0 | 116.1 | I12 | L10-I12 VanDerWaalsContact C-N 3.35Å; L10-I12 PolarHBondContact O-N 3.26Å |
| 11 | P | 52.6 | Low | 53 | Low | 79 Ų | 79 | 139.2 Ų | 139.2 | 51% | 0.513 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -74.8 | -25.3 | -178.7 | -13.3 | 28 | 0 | 0 | 0 | 113.3 | I9 Y15 | I9-P11 VanDerWaalsContact C-CD 3.47Å; P11-Y15 WeakPolarHBondContact O-CB 3.45Å; P11-Y15 PolarHBondContact O-N 3.09Å |
| 12 | I | 52.6 | Low | 53.5 | Low | 114 Ų | 114 | 132.1 Ų | 132.1 | 59% | 0.585 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82.6 | -34 | -170.7 | -58.1 | 171.6 | 0 | 0 | 0 | 111.1 | L10 R16 | L10-I12 VanDerWaalsContact C-N 3.35Å; L10-I12 PolarHBondContact O-N 3.26Å; I12-R16 WeakPolarHBondContact O-CB 3.32Å; I12-R16 PolarHBondContact O-N 3.19Å |
| 13 | L | 51.7 | Low | 53.7 | Low | 115 Ų | 115 | 131 Ų | 131 | 60% | 0.602 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.3 | -34 | 177.9 | -69.3 | 172.1 | 0 | 0 | 0 | 112.6 | I9 S17 | I9-L13 HydrophobicContact CG2-CD1 4.41Å; L13-S17 PolarHBondContact O-N 3.17Å; L13-S17 PolarHBondContact O-OG 3.48Å |
| 14 | L | 54.1 | Low | 54 | Low | 118 Ų | 118 | 126.6 Ų | 126.6 | 62% | 0.618 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.1 | -34.4 | 176 | -67.1 | 173.2 | 0 | 0 | 0 | 112.3 | S17 Y18 | L14-S17 PolarHBondContact O-OG 3.44Å; L14-Y18 VanDerWaalsContact O-CB 3.32Å; L14-Y18 WeakPolarHBondContact O-CB 3.43Å; L14-Y18 PolarHBondContact O-N 3.4Å; L14-Y18 VanDerWaalsContact O-N 3.09Å |
| 15 | Y | 57 | Low | 54.4 | Low | 151 Ų | 151 | 121.9 Ų | 121.9 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.5 | -36.8 | 174.9 | -167.5 | -101.2 | 0 | 0 | 0 | 112.1 | P11 Y18 F19 | P11-Y15 WeakPolarHBondContact O-CB 3.45Å; P11-Y15 PolarHBondContact O-N 3.09Å; Y15-Y18 PolarHBondContact O-N 3.14Å; Y15-F19 HydrophobicContact CD1-CD2 4.19Å; Y15-F19 AromaticContact CE1-CD2 3.62Å; Y15-F19 HydrophobicContact CE1-CD2 3.62Å; Y15-F19 AromaticContact CE1-CE2 3.72Å; Y15-F19 HydrophobicContact CE1-CE2 3.72Å; Y15-F19 AromaticContact CZ-CD2 3.84Å; Y15-F19 AromaticContact CZ-CE2 3.65Å; Y15-F19 PolarHBondContact O-N 2.99Å; Y15-F19 WeakPolarHBondContact OH-CE2 3.39Å |
| 16 | R | 54.3 | Low | 54.3 | Low | 156 Ų | 156 | 118.2 Ų | 118.2 | 59% | 0.589 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.8 | -40.1 | 178.6 | -160.2 | 174.6 | 178.8 | -172.9 | -2 | 111.9 | I12 F19 Y20 | I12-R16 WeakPolarHBondContact O-CB 3.32Å; I12-R16 PolarHBondContact O-N 3.19Å; R16-F19 PolarHBondContact O-N 3.31Å; R16-Y20 HydrophobicContact CG-CD2 4.22Å; R16-Y20 HydrophobicContact CG-CE2 3.91Å; R16-Y20 WeakPolarHBondContact O-CD2 3.42Å; R16-Y20 PolarHBondContact O-N 3.42Å; R16-Y20 VanDerWaalsContact O-N 3.15Å |
| 17 | S | 57.6 | Low | 54.5 | Low | 58 Ų | 58 | 115.2 Ų | 115.2 | 41% | 0.406 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.1 | -36 | 174 | 63.7 | 0 | 0 | 0 | 0 | 112.5 | L13 L14 Y20 L21 | L13-S17 PolarHBondContact O-N 3.17Å; L13-S17 PolarHBondContact O-OG 3.48Å; L14-S17 PolarHBondContact O-OG 3.44Å; S17-Y20 PolarHBondContact O-N 3.04Å; S17-L21 PolarHBondContact O-N 2.97Å |
| 18 | Y | 60.3 | Low | 54.2 | Low | 148 Ų | 148 | 115.4 Ų | 115.4 | 58% | 0.58 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.5 | -40.3 | 173.9 | -168.1 | -107 | 0 | 0 | 0 | 112.2 | L14 Y15 L21 I22 | L14-Y18 VanDerWaalsContact O-CB 3.32Å; L14-Y18 WeakPolarHBondContact O-CB 3.43Å; L14-Y18 PolarHBondContact O-N 3.4Å; L14-Y18 VanDerWaalsContact O-N 3.09Å; Y15-Y18 PolarHBondContact O-N 3.14Å; Y18-L21 PolarHBondContact O-N 3.42Å; Y18-I22 HydrophobicContact CD1-CD1 3.65Å; Y18-I22 HydrophobicContact CD1-CG1 4.47Å; Y18-I22 HydrophobicContact CE1-CD1 3.36Å; Y18-I22 HydrophobicContact CE1-CG1 4.26Å; Y18-I22 WeakPolarHBondContact O-CG1 3.13Å; Y18-I22 PolarHBondContact O-N 3.15Å |
| 19 | F | 59 | Low | 54.3 | Low | 101 Ų | 101 | 110.5 Ų | 110.5 | 44% | 0.443 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -39.1 | 175.7 | -119.6 | -93.5 | 0 | 0 | 0 | 113.1 | Y15 R16 F23 | Y15-F19 HydrophobicContact CD1-CD2 4.19Å; Y15-F19 AromaticContact CE1-CD2 3.62Å; Y15-F19 HydrophobicContact CE1-CD2 3.62Å; Y15-F19 AromaticContact CE1-CE2 3.72Å; Y15-F19 HydrophobicContact CE1-CE2 3.72Å; Y15-F19 AromaticContact CZ-CD2 3.84Å; Y15-F19 AromaticContact CZ-CE2 3.65Å; Y15-F19 PolarHBondContact O-N 2.99Å; Y15-F19 WeakPolarHBondContact OH-CE2 3.39Å; R16-F19 PolarHBondContact O-N 3.31Å; F19-F23 PolarHBondContact O-N 3Å; F19-F23 VanDerWaalsContact O-N 3.14Å |
| 20 | Y | 57.6 | Low | 54.3 | Low | 145 Ų | 145 | 113.2 Ų | 113.2 | 57% | 0.569 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.6 | -34.7 | 174.1 | -80 | -70.3 | 0 | 0 | 0 | 112.5 | R16 S17 F23 L24 | R16-Y20 HydrophobicContact CG-CD2 4.22Å; R16-Y20 HydrophobicContact CG-CE2 3.91Å; R16-Y20 WeakPolarHBondContact O-CD2 3.42Å; R16-Y20 PolarHBondContact O-N 3.42Å; R16-Y20 VanDerWaalsContact O-N 3.15Å; S17-Y20 PolarHBondContact O-N 3.04Å; Y20-F23 PolarHBondContact O-N 3.37Å; Y20-L24 PolarHBondContact O-N 3.03Å |
| 21 | L | 58.7 | Low | 54.5 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 58% | 0.581 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.5 | -40 | 174.2 | -84.7 | 161.4 | 0 | 0 | 0 | 112.7 | S17 Y18 F23 L24 M25 | S17-L21 PolarHBondContact O-N 2.97Å; Y18-L21 PolarHBondContact O-N 3.42Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-L24 PolarHBondContact O-N 3.37Å; L21-M25 WeakPolarHBondContact O-CG 3.33Å; L21-M25 PolarHBondContact O-N 3.23Å |
| 22 | I | 59.5 | Low | 54.2 | Low | 87 Ų | 87 | 111.6 Ų | 111.6 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.9 | -42.3 | 173.9 | -69.6 | 168.5 | 0 | 0 | 0 | 110.8 | Y18 M25 G26 | Y18-I22 HydrophobicContact CD1-CD1 3.65Å; Y18-I22 HydrophobicContact CD1-CG1 4.47Å; Y18-I22 HydrophobicContact CE1-CD1 3.36Å; Y18-I22 HydrophobicContact CE1-CG1 4.26Å; Y18-I22 WeakPolarHBondContact O-CG1 3.13Å; Y18-I22 PolarHBondContact O-N 3.15Å; I22-M25 PolarHBondContact O-N 2.92Å; I22-G26 PolarHBondContact O-N 3.43Å |
| 23 | F | 55.4 | Low | 53.7 | Low | 143 Ų | 143 | 114.2 Ų | 114.2 | 63% | 0.627 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.2 | -38.1 | 177.4 | -105.5 | -91.1 | 0 | 0 | 0 | 112.7 | F19 Y20 L21 G26 T27 | F19-F23 PolarHBondContact O-N 3Å; F19-F23 VanDerWaalsContact O-N 3.14Å; Y20-F23 PolarHBondContact O-N 3.37Å; L21-F23 VanDerWaalsContact C-N 3.35Å; F23-G26 PolarHBondContact O-N 3.21Å; F23-T27 WeakPolarHBondContact O-CG2 3.36Å; F23-T27 PolarHBondContact O-N 3.47Å; F23-T27 PolarHBondContact O-OG1 3.32Å |
| 24 | L | 54.8 | Low | 53.3 | Low | 109 Ų | 109 | 115.3 Ų | 115.3 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.4 | -39.7 | 175.8 | -116.7 | 116.8 | 0 | 0 | 0 | 112.6 | Y20 L21 T27 I28 | Y20-L24 PolarHBondContact O-N 3.03Å; L21-L24 PolarHBondContact O-N 3.37Å; L24-T27 PolarHBondContact O-N 3.23Å; L24-T27 PolarHBondContact O-OG1 3Å; L24-I28 WeakPolarHBondContact O-CD1 3.5Å; L24-I28 WeakPolarHBondContact O-CG1 3.48Å; L24-I28 PolarHBondContact O-N 3.47Å |
| 25 | M | 55.1 | Low | 52.6 | Low | 124 Ų | 124 | 115.3 Ų | 115.3 | 61% | 0.611 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.3 | -29.4 | 175.8 | -66.8 | -61.1 | -70.4 | 0 | 0 | 112.6 | L21 I22 I28 S29 | L21-M25 WeakPolarHBondContact O-CG 3.33Å; L21-M25 PolarHBondContact O-N 3.23Å; I22-M25 PolarHBondContact O-N 2.92Å; M25-I28 HydrophobicContact SD-CD1 4.46Å; M25-S29 PolarHBondContact O-N 3.44Å; M25-S29 PolarHBondContact O-OG 2.99Å |
| 26 | G | 51.8 | Low | 52.4 | Low | 38 Ų | 38 | 111.5 Ų | 111.5 | 39% | 0.392 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.4 | -33.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I22 F23 S29 | I22-G26 PolarHBondContact O-N 3.43Å; F23-G26 PolarHBondContact O-N 3.21Å; G26-S29 PolarHBondContact O-N 3.44Å |
| 27 | T | 51 | Low | 52.2 | Low | 88 Ų | 88 | 110 Ų | 110 | 54% | 0.54 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -79.4 | -25.1 | 175.5 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | F23 L24 S29 | F23-T27 WeakPolarHBondContact O-CG2 3.36Å; F23-T27 PolarHBondContact O-N 3.47Å; F23-T27 PolarHBondContact O-OG1 3.32Å; L24-T27 PolarHBondContact O-N 3.23Å; L24-T27 PolarHBondContact O-OG1 3Å; T27-S29 VanDerWaalsContact C-N 3.29Å |
| 28 | I | 46.9 | Very low | 52.1 | Low | 107 Ų | 107 | 115.3 Ų | 115.3 | 55% | 0.549 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -73 | -25.4 | 171.4 | -65.5 | 165.1 | 0 | 0 | 0 | 110.9 | L24 M25 L30 | L24-I28 WeakPolarHBondContact O-CD1 3.5Å; L24-I28 WeakPolarHBondContact O-CG1 3.48Å; L24-I28 PolarHBondContact O-N 3.47Å; M25-I28 HydrophobicContact SD-CD1 4.46Å; I28-L30 VanDerWaalsContact C-N 3.32Å; I28-L30 PolarHBondContact O-N 3.05Å |
| 29 | S | 50.6 | Low | 51.2 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 72% | 0.72 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 3.9 | 176.2 | -62.5 | 0 | 0 | 0 | 0 | 115.1 | M25 G26 T27 | M25-S29 PolarHBondContact O-N 3.44Å; M25-S29 PolarHBondContact O-OG 2.99Å; G26-S29 PolarHBondContact O-N 3.44Å; T27-S29 VanDerWaalsContact C-N 3.29Å |
| 30 | L | 51.6 | Low | 50.7 | Low | 160 Ų | 160 | 117.1 Ų | 117.1 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 7.2 | 173.1 | -90.2 | 155.1 | 0 | 0 | 0 | 113.3 | I28 | I28-L30 VanDerWaalsContact C-N 3.32Å; I28-L30 PolarHBondContact O-N 3.05Å |
| 31 | A | 52.6 | Low | 50.4 | Low | 79 Ų | 79 | 114 Ų | 114 | 65% | 0.653 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -138 | 52 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 32 | C | 45.7 | Very low | 50 | Low | 89 Ų | 89 | 113.6 Ų | 113.6 | 60% | 0.601 | 64% | 0.641 | S | S | * | * | trans | -172.8 | 84.6 | 151.8 | -126.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 33 | N | 42.4 | Very low | 49.6 | Very low | 169 Ų | 169 | 117.1 Ų | 117.1 | 90% | 0.904 | 66% | 0.661 | S | S | * | * | trans | -106.5 | 73.4 | 137.7 | -80 | -25.6 | 0 | 0 | 0 | 105.1 | M35 | N33-M35 PolarHBondContact O-N 3.47Š| ||
| 34 | D | 44.3 | Very low | 49.2 | Very low | 138 Ų | 138 | 115.6 Ų | 115.6 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | trans | -61.9 | 94 | 157.3 | -94.7 | -20.1 | 0 | 0 | 0 | 106.2 | T36 | D34-T36 VanDerWaalsContact C-N 3.3Å; D34-T36 PolarHBondContact O-N 2.93Å | ||
| 35 | M | 39.1 | Very low | 49 | Very low | 117 Ų | 117 | 116.9 Ų | 116.9 | 58% | 0.576 | 67% | 0.671 | S | S | * | * | trans | -68.4 | 94.6 | 173.2 | -167.3 | 164.6 | 173.2 | 0 | 0 | 107 | N33 M40 | N33-M35 PolarHBondContact O-N 3.47Å; M35-M40 HydrophobicContact CE-CB 3.86Å; M35-M40 HydrophobicContact CE-CE 3.17Å; M35-M40 HydrophobicContact CE-CG 3.42Å; M35-M40 VanDerWaalsContact CE-CG 3.42Å; M35-M40 HydrophobicContact CE-SD 3.98Å; M35-M40 HydrophobicContact CG-CE 4.45Å; M35-M40 HydrophobicContact SD-CE 3.46Å; M35-M40 WeakPolarHBondContact SD-CE 3.46Å | ||
| 36 | T | 51.4 | Low | 48.5 | Very low | 72 Ų | 72 | 115.9 Ų | 115.9 | 44% | 0.442 | 67% | 0.674 | S | S | . | * | trans | -51.9 | 136.7 | 172.2 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | D34 E38 Q39 | D34-T36 VanDerWaalsContact C-N 3.3Å; D34-T36 PolarHBondContact O-N 2.93Å; T36-E38 PolarHBondContact O-N 2.9Å; T36-Q39 PolarHBondContact O-N 3.28Å | ||
| 37 | P | 51.7 | Low | 48.1 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -13.8 | -177.6 | -23 | 31.9 | 0 | 0 | 0 | 114.6 | ||
| 38 | E | 54 | Low | 48 | Very low | 169 Ų | 169 | 117.5 Ų | 117.5 | 79% | 0.79 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -14.6 | -174.8 | -64.8 | -172.5 | 153.9 | 0 | 0 | 114.6 | T36 | T36-E38 PolarHBondContact O-N 2.9Š|
| 39 | Q | 42.2 | Very low | 47.9 | Very low | 149 Ų | 149 | 117.2 Ų | 117.2 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -101.5 | -2.8 | 179.6 | -73.1 | -169.2 | -26.9 | 0 | 0 | 114.8 | T36 A41 T42 | T36-Q39 PolarHBondContact O-N 3.28Å; Q39-A41 PolarHBondContact O-N 3.42Å; Q39-T42 PolarHBondContact O-OG1 3.24Å |
| 40 | M | 47.9 | Very low | 47.5 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -5.2 | 168.2 | -142.5 | 173 | -118.2 | 0 | 0 | 111.9 | M35 | M35-M40 HydrophobicContact CE-CB 3.86Å; M35-M40 HydrophobicContact CE-CE 3.17Å; M35-M40 HydrophobicContact CE-CG 3.42Å; M35-M40 VanDerWaalsContact CE-CG 3.42Å; M35-M40 HydrophobicContact CE-SD 3.98Å; M35-M40 HydrophobicContact CG-CE 4.45Å; M35-M40 HydrophobicContact SD-CE 3.46Å; M35-M40 WeakPolarHBondContact SD-CE 3.46Å |
| 41 | A | 52.1 | Low | 47.3 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 65% | 0.653 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 14.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q39 | Q39-A41 PolarHBondContact O-N 3.42Š|
| 42 | T | 49.9 | Very low | 46.7 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -113.7 | -2.1 | -169 | 43.5 | 0 | 0 | 0 | 0 | 117.8 | Q39 | Q39-T42 PolarHBondContact O-OG1 3.24Š|
| 43 | N | 51 | Low | 46.5 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -134.4 | 21.7 | 172.6 | -81.5 | -25.8 | 0 | 0 | 0 | 115.1 | ||
| 44 | V | 47.1 | Very low | 46.9 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | trans | -105.1 | 75.8 | 160.9 | -167.9 | 0 | 0 | 0 | 0 | 106.8 | C46 | V44-C46 HydrophobicContact CG1-CB 3.64Å; V44-C46 WeakPolarHBondContact CG1-SG 3.49Å; V44-C46 PolarHBondContact O-N 3.37Å | ||
| 45 | N | 50.3 | Low | 47 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | trans | -67.9 | 65 | 151.3 | -171.7 | 39.1 | 0 | 0 | 0 | 108 | S47 | N45-S47 PolarHBondContact ND2-OG 2.89Å; N45-S47 PolarHBondContact O-N 3.38Å; N45-S47 VanDerWaalsContact O-N 3.09Å; N45-S47 WeakPolarHBondContact OD1-CB 3.31Å; N45-S47 PolarHBondContact OD1-N 3.09Å; N45-S47 PolarHBondContact OD1-OG 2.8Å | ||
| 46 | C | 45.4 | Very low | 47.6 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 69% | 0.689 | 69% | 0.694 | S | S | * | * | trans | -77.5 | 64.1 | 149.8 | -80.9 | 0 | 0 | 0 | 0 | 105.8 | V44 S48 | V44-C46 HydrophobicContact CG1-CB 3.64Å; V44-C46 WeakPolarHBondContact CG1-SG 3.49Å; V44-C46 PolarHBondContact O-N 3.37Å; C46-S48 PolarHBondContact O-N 2.86Å | ||
| 47 | S | 42 | Very low | 48.1 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 54% | 0.538 | 69% | 0.693 | S | S | . | * | trans | -53 | 91.7 | 137.7 | 48.4 | 0 | 0 | 0 | 0 | 104.4 | N45 P49 | N45-S47 PolarHBondContact ND2-OG 2.89Å; N45-S47 PolarHBondContact O-N 3.38Å; N45-S47 VanDerWaalsContact O-N 3.09Å; N45-S47 WeakPolarHBondContact OD1-CB 3.31Å; N45-S47 PolarHBondContact OD1-N 3.09Å; N45-S47 PolarHBondContact OD1-OG 2.8Å; S47-P49 WeakPolarHBondContact O-CD 3.48Å | ||
| 48 | S | 50.6 | Low | 48.6 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 58% | 0.58 | 66% | 0.662 | S | S | * | * | trans | -41.8 | 121.2 | 161.3 | 170.8 | 0 | 0 | 0 | 0 | 103.4 | C46 E50 | C46-S48 PolarHBondContact O-N 2.86Å; S48-E50 PolarHBondContact O-N 2.76Å | ||
| 49 | P | 44.2 | Very low | 49.1 | Very low | 102 Ų | 102 | 122 Ų | 122 | 66% | 0.662 | 65% | 0.646 | S | S | * | * | trans | -51.7 | 121 | 167 | 2.2 | 3.3 | 0 | 0 | 0 | 103.1 | S47 R51 | S47-P49 WeakPolarHBondContact O-CD 3.48Å; P49-R51 PolarHBondContact O-N 2.72Å | ||
| 50 | E | 42.5 | Very low | 50.3 | Low | 170 Ų | 170 | 122.7 Ų | 122.7 | 79% | 0.794 | 65% | 0.649 | S | S | * | * | trans | -52.5 | 97.9 | 164.7 | -78.1 | -178.4 | 149.5 | 0 | 0 | 103.2 | S48 H52 | S48-E50 PolarHBondContact O-N 2.76Å; E50-H52 PolarHBondContact O-N 2.65Å | ||
| 51 | R | 46.4 | Very low | 51 | Low | 212 Ų | 212 | 118.2 Ų | 118.2 | 80% | 0.8 | 64% | 0.638 | S | S | * | * | trans | -71.2 | 83.6 | 171.9 | -80.1 | -169.1 | -79.7 | 158 | -6.5 | 101.9 | P49 T53 | P49-R51 PolarHBondContact O-N 2.72Å; R51-T53 VanDerWaalsContact C-N 3.32Å; R51-T53 PolarHBondContact O-N 2.82Å | ||
| 52 | H | 39.9 | Very low | 52.4 | Low | 161 Ų | 161 | 116.7 Ų | 116.7 | 75% | 0.745 | 63% | 0.63 | S | S | * | * | trans | -35.2 | 114.2 | 142.4 | -89.4 | -94.8 | 0 | 0 | 0 | 104.7 | E50 R54 | E50-H52 PolarHBondContact O-N 2.65Å; H52-R54 PolarHBondContact O-N 2.64Å | ||
| 53 | T | 42.6 | Very low | 54.3 | Low | 112 Ų | 112 | 116.6 Ų | 116.6 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | trans | -57.1 | 89.2 | 173.7 | -31.1 | 0 | 0 | 0 | 0 | 104.4 | R51 S55 | R51-T53 VanDerWaalsContact C-N 3.32Å; R51-T53 PolarHBondContact O-N 2.82Å; T53-S55 PolarHBondContact O-N 2.94Å | ||
| 54 | R | 49.8 | Very low | 56.3 | Low | 198 Ų | 198 | 111.8 Ų | 111.8 | 75% | 0.747 | 60% | 0.602 | S | S | * | * | trans | -57 | 107.6 | 164.5 | -98.8 | -175 | 173.3 | 136.8 | -1.1 | 101.8 | H52 Y56 | H52-R54 PolarHBondContact O-N 2.64Å; R54-Y56 HydrophobicContact CB-CD2 4.39Å; R54-Y56 HydrophobicContact CB-CE2 4.16Å; R54-Y56 WeakPolarHBondContact O-CD2 3.37Å; R54-Y56 PolarHBondContact O-N 3.24Å | ||
| 55 | S | 47.1 | Very low | 58.6 | Low | 115 Ų | 115 | 108.6 Ų | 108.6 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | trans | -61.5 | 82.8 | 167 | 175.5 | 0 | 0 | 0 | 0 | 104.6 | T53 D57 | T53-S55 PolarHBondContact O-N 2.94Å; S55-D57 PolarHBondContact O-N 3Å; S55-D57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | Y | 51 | Low | 60.9 | Low | 142 Ų | 142 | 105.4 Ų | 105.4 | 56% | 0.557 | 56% | 0.563 | S | S | * | * | trans | -57 | 120.4 | 164.9 | -72.5 | -78.3 | 0 | 0 | 0 | 104.5 | R54 Y58 | R54-Y56 HydrophobicContact CB-CD2 4.39Å; R54-Y56 HydrophobicContact CB-CE2 4.16Å; R54-Y56 WeakPolarHBondContact O-CD2 3.37Å; R54-Y56 PolarHBondContact O-N 3.24Å; Y56-Y58 PolarHBondContact O-N 3.13Å | ||
| 57 | D | 62.3 | Low | 63.4 | Low | 80 Ų | 80 | 103.9 Ų | 103.9 | 43% | 0.428 | 54% | 0.543 | S | S | . | . | trans | -57.9 | 116.1 | 161 | -171.1 | -10.9 | 0 | 0 | 0 | 105.2 | S55 M59 E60 | S55-D57 PolarHBondContact O-N 3Å; S55-D57 VanDerWaalsContact O-N 3.13Å; D57-M59 PolarHBondContact O-N 2.72Å; D57-M59 PolarHBondContact OD1-N 2.87Å; D57-E60 HydrophobicContact CB-CB 4.06Å; D57-E60 HydrophobicContact CB-CG 3.76Å; D57-E60 PolarHBondContact O-N 2.92Å | ||
| 58 | Y | 63.1 | Low | 66.1 | Low | 38 Ų | 38 | 101.6 Ų | 101.6 | 15% | 0.149 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -12 | -179.9 | -73 | -86.8 | 0 | 0 | 0 | 111.6 | Y56 R101 V103 A109 C133 N134 N138 | Y56-Y58 PolarHBondContact O-N 3.13Å; Y58-R101 WeakPolarHBondContact O-CD 3.49Å; Y58-R101 PolarHBondContact O-NE 2.64Å; Y58-R101 PolarHBondContact O-NH1 2.75Å; Y58-V103 HydrophobicContact CD1-CG2 3.88Å; Y58-V103 HydrophobicContact CE1-CG1 4.1Å; Y58-V103 HydrophobicContact CE1-CG2 3.86Å; Y58-A109 HydrophobicContact CD1-CB 3.98Å; Y58-A109 HydrophobicContact CE1-CB 4.22Å; Y58-C133 HydrophobicContact CD1-CB 4.3Å; Y58-C133 HydrophobicContact CD2-CB 3.7Å; Y58-C133 HydrophobicContact CE1-CB 4.43Å; Y58-C133 WeakPolarHBondContact CE1-SG 3.35Å; Y58-C133 HydrophobicContact CE2-CB 3.85Å; Y58-C133 HydrophobicContact CG-CB 3.93Å; Y58-N134 PolarHBondContact OH-O 2.86Å; Y58-N134 VanDerWaalsContact OH-O 3.05Å; Y58-N138 VanDerWaalsContact CE1-OD1 3.23Å; Y58-N138 WeakPolarHBondContact CE1-OD1 3.2Å; Y58-N138 PolarHBondContact OH-ND2 3.2Å; Y58-N138 PolarHBondContact OH-OD1 2.84Å |
| 59 | M | 63.5 | Low | 68.3 | Low | 93 Ų | 93 | 97.7 Ų | 97.7 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -17 | 176.6 | -56.3 | -56.2 | -168.1 | 0 | 0 | 115 | D57 R101 F118 | D57-M59 PolarHBondContact O-N 2.72Å; D57-M59 PolarHBondContact OD1-N 2.87Å; M59-R101 VanDerWaalsContact C-NH1 3.27Å; M59-R101 PolarHBondContact O-NH1 2.82Å; M59-F118 HydrophobicContact CE-CE2 4.24Å; M59-F118 HydrophobicContact CE-CZ 3.92Å; M59-F118 HydrophobicContact SD-CZ 4.49Å |
| 60 | E | 66.8 | Low | 70.9 | Confident | 163 Ų | 163 | 94.4 Ų | 94.4 | 76% | 0.762 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -99 | 1.7 | -165.3 | -73.2 | -175 | 158.7 | 0 | 0 | 116.1 | D57 | D57-E60 HydrophobicContact CB-CB 4.06Å; D57-E60 HydrophobicContact CB-CG 3.76Å; D57-E60 PolarHBondContact O-N 2.92Å |
| 61 | G | 64.6 | Low | 73.6 | Confident | 44 Ų | 44 | 86.3 Ų | 86.3 | 45% | 0.454 | 43% | 0.433 | S | S | . | . | trans | -175.2 | 173 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R101 | G61-R101 WeakPolarHBondContact O-CD 3.42Š| ||
| 62 | G | 79.8 | Confident | 76.1 | Confident | 47 Ų | 47 | 80 Ų | 80 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 104.1 | 155.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T102 | G62-T102 WeakPolarHBondContact CA-O 3.31Š|
| 63 | D | 90.2 | Very high | 78.8 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 54% | 0.54 | 38% | 0.382 | S | S | . | . | trans | -63.6 | 135.5 | 169.4 | 178.6 | 52.5 | 0 | 0 | 0 | 110.1 | R65 R101 T102 | D63-R65 WeakPolarHBondContact OD2-CD 3.28Å; D63-R65 WeakPolarHBondContact OD2-CG 3.3Å; D63-R65 IonicContact OD2-NE 3.37Å; D63-R101 WeakPolarHBondContact O-CA 3.43Å; D63-T102 PolarHBondContact O-N 3.36Å | ||
| 64 | V | 93.7 | Very high | 81.5 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124 | -174.5 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | E99 R101 | V64-E99 HydrophobicContact CG1-CG 3.42Å; V64-E99 VanDerWaalsContact CG1-CG 3.42Å; V64-R101 HydrophobicContact CG2-CG 4.15Å |
| 65 | R | 95.8 | Very high | 83.8 | Confident | 44 Ų | 44 | 66 Ų | 66 | 17% | 0.166 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 115 | -177.3 | -62.1 | 173.3 | -73.2 | 149.8 | -2.1 | 109.6 | D63 R67 I100 E141 | D63-R65 WeakPolarHBondContact OD2-CD 3.28Å; D63-R65 WeakPolarHBondContact OD2-CG 3.3Å; D63-R65 IonicContact OD2-NE 3.37Å; R65-R67 HydrophobicContact CB-CG 4.24Å; R65-I100 HydrophobicContact CB-CB 4.48Å; R65-I100 PolarHBondContact N-O 2.99Å; R65-I100 PolarHBondContact O-N 3.45Å; R65-E141 IonicContact CZ-OE2 3.71Å; R65-E141 IonicContact NH1-OE1 2.76Å; R65-E141 PolarHBondContact NH1-OE1 2.9Å; R65-E141 IonicContact NH1-OE2 3.29Å; R65-E141 PolarHBondContact NH1-OE2 2.92Å; R65-E141 IonicContact NH2-OE1 3.72Å; R65-E141 IonicContact NH2-OE2 3.08Å; R65-E141 PolarHBondContact NH2-OE2 2.84Å |
| 66 | V | 97.6 | Very high | 86.3 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 42% | 0.418 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.8 | 171.9 | -171.4 | 0 | 0 | 0 | 0 | 109.4 | I97 L98 V113 I193 | V66-I97 HydrophobicContact CG1-CG2 3.52Å; V66-L98 CarbonylContact C-O 3.53Å; V66-L98 WeakPolarHBondContact CA-O 3.31Å; V66-V113 HydrophobicContact CG1-CG2 4.47Å; V66-I193 HydrophobicContact CG1-CG1 3.84Å |
| 67 | R | 97.8 | Very high | 88.5 | Confident | 70 Ų | 70 | 55.8 Ų | 55.8 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 164.8 | -171.9 | -59.2 | -66.1 | 167.1 | 62.3 | -0.7 | 112.2 | R65 L98 I100 P190 L191 | R65-R67 HydrophobicContact CB-CG 4.24Å; R67-L98 PolarHBondContact N-O 3.08Å; R67-L98 PolarHBondContact O-N 3.29Å; R67-L98 VanDerWaalsContact O-O 3.11Å; R67-I100 HydrophobicContact CB-CD1 4.18Å; R67-I100 HydrophobicContact CG-CD1 4.3Å; R67-P190 HydrophobicContact CB-CB 4.42Å; R67-P190 HydrophobicContact CG-CB 4.26Å; R67-L191 CarbonylContact C-O 3.57Å; R67-L191 WeakPolarHBondContact CA-O 3.45Å; R67-L191 WeakPolarHBondContact CB-O 3.37Å; R67-L191 VanDerWaalsContact CD-O 3.29Å; R67-L191 WeakPolarHBondContact CD-O 2.96Å |
| 68 | R | 98.1 | Very high | 90.3 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 11% | 0.109 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.8 | 156.5 | -67.6 | -178 | 176.7 | 90.5 | 0.5 | 109 | Y76 A91 S96 P190 L191 I193 | R68-Y76 HydrophobicContact CB-CD1 3.9Å; R68-Y76 HydrophobicContact CB-CE1 4.24Å; R68-Y76 HydrophobicContact CG-CD1 4.49Å; R68-A91 VanDerWaalsContact CZ-O 3.26Å; R68-A91 PolarHBondContact NE-O 2.93Å; R68-A91 PolarHBondContact NH2-O 2.91Å; R68-S96 PolarHBondContact NE-OG 2.87Å; R68-P190 WeakPolarHBondContact O-CA 3.41Å; R68-L191 PolarHBondContact N-O 3.43Å; R68-L191 PolarHBondContact O-N 3.17Å; R68-I193 HydrophobicContact CG-CD1 3.64Å |
| 69 | L | 98.4 | Very high | 92 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 102.1 | 171.5 | -70 | 179.6 | 0 | 0 | 0 | 109.6 | M77 L98 I100 I110 Y151 F188 P190 | L69-M77 HydrophobicContact CB-CB 4.21Å; L69-M77 PolarHBondContact O-N 2.86Å; L69-L98 HydrophobicContact CB-CD1 4.04Å; L69-L98 HydrophobicContact CD1-CD1 3.79Å; L69-L98 HydrophobicContact CG-CD1 3.86Å; L69-I100 HydrophobicContact CD2-CD1 3.83Å; L69-I100 HydrophobicContact CG-CD1 4.29Å; L69-I110 HydrophobicContact CD1-CD1 4.02Å; L69-I110 HydrophobicContact CD1-CG2 4.36Å; L69-Y151 HydrophobicContact CD1-CE2 4.21Å; L69-Y151 HydrophobicContact CD2-CE2 4.04Å; L69-Y151 WeakPolarHBondContact CD2-OH 3.39Å; L69-F188 HydrophobicContact CB-CB 4.44Å; L69-F188 HydrophobicContact CB-CD1 3.96Å; L69-F188 HydrophobicContact CD2-CB 4.39Å; L69-P190 HydrophobicContact CD2-CB 4.14Å; L69-P190 HydrophobicContact CD2-CG 4.12Å |
| 70 | F | 98.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 109 | 177.9 | -174.9 | -112.2 | 0 | 0 | 0 | 110.8 | Q74 Y76 F188 L189 L191 | F70-Q74 HydrophobicContact CZ-CB 4.36Å; F70-Y76 HydrophobicContact CB-CD1 4.11Å; F70-Y76 HydrophobicContact CB-CE1 4.06Å; F70-Y76 AromaticContact CD2-CD1 3.77Å; F70-Y76 HydrophobicContact CD2-CD1 3.77Å; F70-Y76 HydrophobicContact CD2-CD2 4.22Å; F70-Y76 AromaticContact CD2-CE1 3.62Å; F70-Y76 HydrophobicContact CD2-CE1 3.62Å; F70-Y76 HydrophobicContact CD2-CE2 4.06Å; F70-Y76 HydrophobicContact CD2-CG 4.08Å; F70-Y76 AromaticContact CD2-CZ 3.76Å; F70-Y76 HydrophobicContact CE2-CE1 4.46Å; F70-Y76 HydrophobicContact CE2-CE2 4.18Å; F70-Y76 HydrophobicContact CG-CD1 4.42Å; F70-Y76 HydrophobicContact CG-CE1 4.19Å; F70-F188 CarbonylContact O-C 3.46Å; F70-F188 WeakPolarHBondContact O-CA 3.29Å; F70-L189 PolarHBondContact N-O 3.49Å; F70-L189 PolarHBondContact O-N 3.04Å; F70-L191 HydrophobicContact CB-CD1 3.68Å; F70-L191 HydrophobicContact CB-CG 4.27Å; F70-L191 HydrophobicContact CG-CD1 4.24Å |
| 71 | C | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 141.2 | 177.2 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | T73 Q74 W75 L167 A185 H187 F188 | C71-T73 PolarHBondContact O-N 3.42Å; C71-T73 PolarHBondContact SG-OG1 3.26Å; C71-Q74 PolarHBondContact O-N 2.91Å; C71-W75 VanDerWaalsContact CB-O 3.32Å; C71-W75 WeakPolarHBondContact CB-O 3.49Å; C71-W75 PolarHBondContact N-O 3.49Å; C71-W75 PolarHBondContact O-N 2.85Å; C71-L167 HydrophobicContact CB-CB 4.19Å; C71-L167 HydrophobicContact CB-CD1 4.15Å; C71-A185 PolarHBondContact SG-O 3.2Å; C71-A185 VanDerWaalsContact SG-O 3.41Å; C71-H187 CarbonylContact C-O 3.53Å; C71-H187 WeakPolarHBondContact CA-O 3.48Å; C71-F188 HydrophobicContact CB-CD1 3.74Å; C71-F188 HydrophobicContact CB-CE1 3.48Å; C71-F188 VanDerWaalsContact CB-CE1 3.48Å; C71-F188 HydrophobicContact CB-CZ 4.08Å |
| 72 | R | 98.3 | Very high | 96.7 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 31% | 0.306 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.8 | 175.7 | -166.9 | 172.4 | -177 | -179.9 | 6.2 | 113.3 | Q74 N146 Y148 K184 H187 | R72-Q74 PolarHBondContact O-N 2.91Å; R72-Q74 PolarHBondContact O-NE2 3.37Å; R72-N146 PolarHBondContact NH1-ND2 3.35Å; R72-Y148 HydrophobicContact CB-CD1 4.13Å; R72-Y148 HydrophobicContact CB-CE1 3.69Å; R72-Y148 HydrophobicContact CG-CE1 3.98Å; R72-K184 WeakPolarHBondContact CB-O 3.26Å; R72-K184 HydrophobicContact CG-CB 4.46Å; R72-H187 HydrophobicContact CB-CB 3.89Å; R72-H187 PolarHBondContact N-O 3.05Å; R72-H187 PolarHBondContact NH1-ND1 3.29Å; R72-H187 VanDerWaalsContact NH1-ND1 3.15Å |
| 73 | T | 98.5 | Very high | 97.5 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 11.5 | 171.1 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | C71 W75 L167 A185 | C71-T73 PolarHBondContact O-N 3.42Å; C71-T73 PolarHBondContact SG-OG1 3.26Å; T73-W75 PolarHBondContact O-NE1 3.14Å; T73-L167 WeakPolarHBondContact CG2-O 3.43Å; T73-L167 PolarHBondContact OG1-O 3.06Å; T73-A185 HydrophobicContact CG2-CB 4.19Å |
| 74 | Q | 98.3 | Very high | 97.9 | Very high | 107 Ų | 107 | 54.8 Ų | 54.8 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 46 | 176 | -49.4 | -62.7 | -60.3 | 0 | 0 | 113.8 | F70 C71 R72 | F70-Q74 HydrophobicContact CZ-CB 4.36Å; C71-Q74 PolarHBondContact O-N 2.91Å; R72-Q74 PolarHBondContact O-N 2.91Å; R72-Q74 PolarHBondContact O-NE2 3.37Å |
| 75 | W | 98.6 | Very high | 98.2 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 132.8 | 178.8 | -65.1 | 95.4 | 0 | 0 | 0 | 111.4 | C71 T73 R89 L167 H169 | C71-W75 VanDerWaalsContact CB-O 3.32Å; C71-W75 WeakPolarHBondContact CB-O 3.49Å; C71-W75 PolarHBondContact N-O 3.49Å; C71-W75 PolarHBondContact O-N 2.85Å; T73-W75 PolarHBondContact O-NE1 3.14Å; W75-R89 HydrophobicContact CD2-CG 4.27Å; W75-R89 HydrophobicContact CE3-CG 3.74Å; W75-R89 HydrophobicContact CH2-CG 4.05Å; W75-R89 HydrophobicContact CZ3-CB 4.49Å; W75-R89 HydrophobicContact CZ3-CG 3.63Å; W75-L167 HydrophobicContact CB-CD1 3.94Å; W75-H169 PolarHBondContact NE1-O 2.9Å |
| 76 | Y | 98.6 | Very high | 98.3 | Very high | 43 Ų | 43 | 53.5 Ų | 53.5 | 17% | 0.169 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128.5 | 164 | -62.4 | -78.7 | 0 | 0 | 0 | 109.5 | R68 F70 R78 G87 T88 A91 L191 | R68-Y76 HydrophobicContact CB-CD1 3.9Å; R68-Y76 HydrophobicContact CB-CE1 4.24Å; R68-Y76 HydrophobicContact CG-CD1 4.49Å; F70-Y76 HydrophobicContact CB-CD1 4.11Å; F70-Y76 HydrophobicContact CB-CE1 4.06Å; F70-Y76 AromaticContact CD2-CD1 3.77Å; F70-Y76 HydrophobicContact CD2-CD1 3.77Å; F70-Y76 HydrophobicContact CD2-CD2 4.22Å; F70-Y76 AromaticContact CD2-CE1 3.62Å; F70-Y76 HydrophobicContact CD2-CE1 3.62Å; F70-Y76 HydrophobicContact CD2-CE2 4.06Å; F70-Y76 HydrophobicContact CD2-CG 4.08Å; F70-Y76 AromaticContact CD2-CZ 3.76Å; F70-Y76 HydrophobicContact CE2-CE1 4.46Å; F70-Y76 HydrophobicContact CE2-CE2 4.18Å; F70-Y76 HydrophobicContact CG-CD1 4.42Å; F70-Y76 HydrophobicContact CG-CE1 4.19Å; Y76-R78 PolarHBondContact O-N 2.89Å; Y76-G87 CarbonylContact O-C 3.51Å; Y76-G87 VanDerWaalsContact O-CA 3.26Å; Y76-G87 WeakPolarHBondContact O-CA 3.23Å; Y76-T88 PolarHBondContact N-O 3.07Å; Y76-T88 PolarHBondContact O-N 3.08Å; Y76-A91 HydrophobicContact CE2-CB 4.05Å; Y76-L191 HydrophobicContact CE1-CD1 3.98Å |
| 77 | M | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 134.2 | 169.8 | 178 | 162.4 | -69.8 | 0 | 0 | 110.1 | L69 V85 S96 L98 L119 V165 L167 F188 | L69-M77 HydrophobicContact CB-CB 4.21Å; L69-M77 PolarHBondContact O-N 2.86Å; M77-V85 HydrophobicContact CE-CG1 4.24Å; M77-V85 HydrophobicContact CG-CG1 4.41Å; M77-V85 HydrophobicContact SD-CG1 4.27Å; M77-S96 WeakPolarHBondContact O-CA 3.41Å; M77-L98 HydrophobicContact CB-CD1 4.36Å; M77-L98 HydrophobicContact CG-CD1 4.32Å; M77-L119 HydrophobicContact SD-CD1 4.28Å; M77-L119 HydrophobicContact SD-CD2 3.81Å; M77-V165 HydrophobicContact CE-CG1 3.29Å; M77-V165 HydrophobicContact SD-CG1 4.05Å; M77-L167 HydrophobicContact CB-CD1 4.14Å; M77-L167 HydrophobicContact CE-CD1 4.3Å; M77-L167 HydrophobicContact CE-CD2 4.37Å; M77-L167 HydrophobicContact CE-CG 4.07Å; M77-F188 HydrophobicContact CB-CE1 4.28Å; M77-F188 HydrophobicContact CE-CE1 3.76Å; M77-F188 HydrophobicContact CE-CZ 3.72Å |
| 78 | R | 98.4 | Very high | 98.4 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 19% | 0.189 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151.4 | 172.8 | 63.4 | 165.4 | -174.8 | 96.3 | -10.8 | 112 | Y76 D80 V85 K86 T88 Y95 | Y76-R78 PolarHBondContact O-N 2.89Å; R78-D80 IonicContact NH1-OD2 3.59Å; R78-D80 PolarHBondContact NH1-OD2 2.9Å; R78-V85 WeakPolarHBondContact O-CA 3.5Å; R78-K86 VanDerWaalsContact CG-O 3.23Å; R78-K86 WeakPolarHBondContact CG-O 3.28Å; R78-K86 PolarHBondContact N-O 3.23Å; R78-K86 PolarHBondContact O-N 2.89Å; R78-T88 HydrophobicContact CB-CG2 4.27Å; R78-T88 HydrophobicContact CG-CG2 4.18Å; R78-Y95 WeakPolarHBondContact CA-O 3.32Å; R78-Y95 VanDerWaalsContact CB-O 3.29Å; R78-Y95 WeakPolarHBondContact CB-O 3.45Å |
| 79 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 108.6 | 172.1 | -48.6 | 174.9 | 0 | 0 | 0 | 106.9 | V85 Y95 L98 S115 Y117 L119 | I79-V85 HydrophobicContact CG1-CG2 4.38Å; I79-Y95 PolarHBondContact N-O 3.3Å; I79-Y95 VanDerWaalsContact N-O 3.12Å; I79-Y95 WeakPolarHBondContact O-CD1 3.49Å; I79-L98 HydrophobicContact CD1-CD2 4.34Å; I79-L98 HydrophobicContact CG1-CD2 4.44Å; I79-S115 WeakPolarHBondContact O-CB 3.27Å; I79-S115 PolarHBondContact O-OG 2.88Å; I79-Y117 HydrophobicContact CG2-CG 4.47Å; I79-L119 HydrophobicContact CD1-CB 3.93Å; I79-L119 HydrophobicContact CD1-CD1 4.45Å |
| 80 | D | 98.1 | Very high | 98.2 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | trans | -77.7 | 173.8 | -176.9 | 63.4 | 36.5 | 0 | 0 | 0 | 113.7 | R78 R82 G83 K84 S115 | R78-D80 IonicContact NH1-OD2 3.59Å; R78-D80 PolarHBondContact NH1-OD2 2.9Å; D80-R82 PolarHBondContact O-N 3.43Å; D80-R82 WeakPolarHBondContact OD1-CA 3.46Å; D80-R82 WeakPolarHBondContact OD1-CB 3.37Å; D80-R82 PolarHBondContact OD1-N 3.08Å; D80-G83 PolarHBondContact O-N 2.76Å; D80-G83 PolarHBondContact OD1-N 2.8Å; D80-K84 PolarHBondContact N-O 3.38Å; D80-K84 VanDerWaalsContact N-O 3.11Å; D80-K84 WeakPolarHBondContact OD1-CB 3.2Å; D80-K84 PolarHBondContact OD1-N 2.79Å; D80-K84 WeakPolarHBondContact OD2-CB 3.45Å; D80-S115 WeakPolarHBondContact O-CB 3.34Å | ||
| 81 | K | 98.1 | Very high | 97.8 | Very high | 143 Ų | 143 | 60.8 Ų | 60.8 | 62% | 0.622 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -13.1 | 177.8 | 68.4 | -178.9 | -178.3 | -179.1 | 0 | 115.8 | Y95 Y117 | K81-Y95 HydrophobicContact CB-CE1 4.03Å; K81-Y117 WeakPolarHBondContact O-CE2 3.04Å |
| 82 | R | 97.9 | Very high | 97.5 | Very high | 209 Ų | 209 | 66.9 Ų | 66.9 | 79% | 0.789 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 7.2 | 175.6 | -59.3 | -176.8 | 179 | 179.5 | 0.9 | 112.2 | D80 K84 | D80-R82 PolarHBondContact O-N 3.43Å; D80-R82 WeakPolarHBondContact OD1-CA 3.46Å; D80-R82 WeakPolarHBondContact OD1-CB 3.37Å; D80-R82 PolarHBondContact OD1-N 3.08Å; R82-K84 VanDerWaalsContact C-N 3.29Å; R82-K84 PolarHBondContact O-N 2.88Å |
| 83 | G | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | trans | 71.6 | 20.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D80 G129 | D80-G83 PolarHBondContact O-N 2.76Å; D80-G83 PolarHBondContact OD1-N 2.8Å; G83-G129 WeakPolarHBondContact O-CA 3.29Å; G83-G129 PolarHBondContact O-N 3.34Å | ||
| 84 | K | 98.4 | Very high | 97.3 | Very high | 110 Ų | 110 | 67 Ų | 67 | 48% | 0.478 | 31% | 0.31 | S | S | . | . | trans | -89.4 | 124.5 | 178.8 | -171.4 | 177.7 | -174.5 | 172.3 | 0 | 110.3 | D80 R82 | D80-K84 PolarHBondContact N-O 3.38Å; D80-K84 VanDerWaalsContact N-O 3.11Å; D80-K84 WeakPolarHBondContact OD1-CB 3.2Å; D80-K84 PolarHBondContact OD1-N 2.79Å; D80-K84 WeakPolarHBondContact OD2-CB 3.45Å; R82-K84 VanDerWaalsContact C-N 3.29Å; R82-K84 PolarHBondContact O-N 2.88Å | ||
| 85 | V | 98.7 | Very high | 97.4 | Very high | 8 Ų | 8 | 65 Ų | 65 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.9 | 177.9 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | M77 R78 I79 L119 L127 P173 | M77-V85 HydrophobicContact CE-CG1 4.24Å; M77-V85 HydrophobicContact CG-CG1 4.41Å; M77-V85 HydrophobicContact SD-CG1 4.27Å; R78-V85 WeakPolarHBondContact O-CA 3.5Å; I79-V85 HydrophobicContact CG1-CG2 4.38Å; V85-L119 HydrophobicContact CB-CD1 4.38Å; V85-L119 HydrophobicContact CG1-CD1 3.84Å; V85-L119 HydrophobicContact CG2-CD1 3.62Å; V85-L127 HydrophobicContact CB-CB 4.41Å; V85-L127 HydrophobicContact CG1-CB 4.49Å; V85-L127 HydrophobicContact CG2-CB 4.46Å; V85-P173 HydrophobicContact CB-CG 4.24Å; V85-P173 HydrophobicContact CG1-CG 4.09Å; V85-P173 WeakPolarHBondContact O-CD 3.29Å; V85-P173 WeakPolarHBondContact O-CG 3.12Å |
| 86 | K | 98.4 | Very high | 97.3 | Very high | 69 Ų | 69 | 63 Ų | 63 | 30% | 0.3 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 171.4 | 176.5 | -83.2 | -165.4 | 162.4 | -171.9 | 0 | 110.8 | R78 | R78-K86 VanDerWaalsContact CG-O 3.23Å; R78-K86 WeakPolarHBondContact CG-O 3.28Å; R78-K86 PolarHBondContact N-O 3.23Å; R78-K86 PolarHBondContact O-N 2.89Å |
| 87 | G | 98.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 9% | 0.093 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 151.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y76 G171 | Y76-G87 CarbonylContact O-C 3.51Å; Y76-G87 VanDerWaalsContact O-CA 3.26Å; Y76-G87 WeakPolarHBondContact O-CA 3.23Å; G87-G171 PolarHBondContact N-O 2.98Å |
| 88 | T | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154.3 | 162 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | Y76 R78 E90 N93 | Y76-T88 PolarHBondContact N-O 3.07Å; Y76-T88 PolarHBondContact O-N 3.08Å; R78-T88 HydrophobicContact CB-CG2 4.27Å; R78-T88 HydrophobicContact CG-CG2 4.18Å; T88-E90 PolarHBondContact OG1-N 3.37Å; T88-N93 HydrophobicContact CG2-CB 3.95Å |
| 89 | R | 97.5 | Very high | 97.3 | Very high | 170 Ų | 170 | 62.1 Ų | 62.1 | 64% | 0.642 | 29% | 0.291 | S | S | * | . | trans | -99.6 | -11.7 | 171.8 | -73 | -179.8 | 178.7 | -158.2 | -2.8 | 112.6 | W75 A91 | W75-R89 HydrophobicContact CD2-CG 4.27Å; W75-R89 HydrophobicContact CE3-CG 3.74Å; W75-R89 HydrophobicContact CH2-CG 4.05Å; W75-R89 HydrophobicContact CZ3-CB 4.49Å; W75-R89 HydrophobicContact CZ3-CG 3.63Å; R89-A91 PolarHBondContact O-N 2.82Å | ||
| 90 | E | 96.1 | Very high | 97.2 | Very high | 111 Ų | 111 | 62.1 Ų | 62.1 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | trans | -70 | 108.9 | 175.9 | -67.9 | 161.9 | -156.9 | 0 | 0 | 109.5 | T88 N92 N93 | T88-E90 PolarHBondContact OG1-N 3.37Å; E90-N92 PolarHBondContact O-N 3.39Å; E90-N93 HydrophobicContact CB-CB 3.88Å; E90-N93 WeakPolarHBondContact O-CB 3.33Å; E90-N93 PolarHBondContact O-N 2.8Å; E90-N93 PolarHBondContact OE2-ND2 3.47Å | ||
| 91 | A | 88.9 | Confident | 97.1 | Very high | 54 Ų | 54 | 62.7 Ų | 62.7 | 45% | 0.446 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R68 Y76 R89 | R68-A91 VanDerWaalsContact CZ-O 3.26Å; R68-A91 PolarHBondContact NE-O 2.93Å; R68-A91 PolarHBondContact NH2-O 2.91Å; Y76-A91 HydrophobicContact CE2-CB 4.05Å; R89-A91 PolarHBondContact O-N 2.82Å |
| 92 | N | 92.8 | Very high | 97 | Very high | 127 Ų | 127 | 57.9 Ų | 57.9 | 68% | 0.679 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 12.6 | 180 | 64.5 | -17.6 | 0 | 0 | 0 | 113.7 | E90 N94 | E90-N92 PolarHBondContact O-N 3.39Å; N92-N94 PolarHBondContact O-N 3.37Å; N92-N94 PolarHBondContact O-OD1 2.84Å |
| 93 | N | 96.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | trans | -72.6 | 117 | -179.4 | -169.7 | -64.9 | 0 | 0 | 0 | 111.2 | T88 E90 Y95 S96 | T88-N93 HydrophobicContact CG2-CB 3.95Å; E90-N93 HydrophobicContact CB-CB 3.88Å; E90-N93 WeakPolarHBondContact O-CB 3.33Å; E90-N93 PolarHBondContact O-N 2.8Å; E90-N93 PolarHBondContact OE2-ND2 3.47Å; N93-Y95 PolarHBondContact O-N 3.02Å; N93-Y95 VanDerWaalsContact OD1-CB 3.29Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.44Å; N93-Y95 PolarHBondContact OD1-N 3.23Å; N93-S96 WeakPolarHBondContact O-CB 3.17Å; N93-S96 PolarHBondContact O-N 3.02Å; N93-S96 PolarHBondContact O-OG 2.65Å | ||
| 94 | N | 97.2 | Very high | 96.5 | Very high | 89 Ų | 89 | 51 Ų | 51 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -60 | -30.3 | -177.7 | -65.6 | -3.4 | 0 | 0 | 0 | 113.4 | N92 S96 I97 E114 | N92-N94 PolarHBondContact O-N 3.37Å; N92-N94 PolarHBondContact O-OD1 2.84Å; N94-S96 PolarHBondContact O-N 3.11Å; N94-I97 PolarHBondContact O-N 3.1Å; N94-E114 HydrophobicContact CB-CB 4.26Å; N94-E114 HydrophobicContact CB-CG 4.11Å |
| 95 | Y | 98.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -72.6 | -5.3 | 176.8 | -62.7 | -71.5 | 0 | 0 | 0 | 114.1 | R78 I79 K81 N93 E114 | R78-Y95 WeakPolarHBondContact CA-O 3.32Å; R78-Y95 VanDerWaalsContact CB-O 3.29Å; R78-Y95 WeakPolarHBondContact CB-O 3.45Å; I79-Y95 PolarHBondContact N-O 3.3Å; I79-Y95 VanDerWaalsContact N-O 3.12Å; I79-Y95 WeakPolarHBondContact O-CD1 3.49Å; K81-Y95 HydrophobicContact CB-CE1 4.03Å; N93-Y95 PolarHBondContact O-N 3.02Å; N93-Y95 VanDerWaalsContact OD1-CB 3.29Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.44Å; N93-Y95 PolarHBondContact OD1-N 3.23Å; Y95-E114 HydrophobicContact CD1-CB 3.99Å; Y95-E114 HydrophobicContact CD1-CG 3.72Å; Y95-E114 HydrophobicContact CE1-CB 4.25Å; Y95-E114 HydrophobicContact CE1-CG 3.53Å; Y95-E114 HydrophobicContact CG-CG 4.39Å |
| 96 | S | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -93.6 | -5 | 174.1 | 72.8 | 0 | 0 | 0 | 0 | 113.9 | R68 M77 N93 N94 L98 | R68-S96 PolarHBondContact NE-OG 2.87Å; M77-S96 WeakPolarHBondContact O-CA 3.41Å; N93-S96 WeakPolarHBondContact O-CB 3.17Å; N93-S96 PolarHBondContact O-N 3.02Å; N93-S96 PolarHBondContact O-OG 2.65Å; N94-S96 PolarHBondContact O-N 3.11Å; S96-L98 PolarHBondContact O-N 2.86Å |
| 97 | I | 98.4 | Very high | 95.9 | Very high | 34 Ų | 34 | 52.2 Ų | 52.2 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | trans | -80.6 | 118 | 175.3 | -55.6 | 175.5 | 0 | 0 | 0 | 107.9 | V66 N94 V113 I193 | V66-I97 HydrophobicContact CG1-CG2 3.52Å; N94-I97 PolarHBondContact O-N 3.1Å; I97-V113 HydrophobicContact CG2-CB 4.17Å; I97-V113 HydrophobicContact CG2-CG2 3.9Å; I97-V113 PolarHBondContact O-N 2.96Å; I97-I193 HydrophobicContact CG1-CD1 4.33Å; I97-I193 HydrophobicContact CG2-CD1 4.16Å; I97-I193 HydrophobicContact CG2-CG1 4.32Å | ||
| 98 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.1 | -173.9 | -53.4 | 176.6 | 0 | 0 | 0 | 110.1 | V66 R67 L69 M77 I79 S96 I110 K111 | V66-L98 CarbonylContact C-O 3.53Å; V66-L98 WeakPolarHBondContact CA-O 3.31Å; R67-L98 PolarHBondContact N-O 3.08Å; R67-L98 PolarHBondContact O-N 3.29Å; R67-L98 VanDerWaalsContact O-O 3.11Å; L69-L98 HydrophobicContact CB-CD1 4.04Å; L69-L98 HydrophobicContact CD1-CD1 3.79Å; L69-L98 HydrophobicContact CG-CD1 3.86Å; M77-L98 HydrophobicContact CB-CD1 4.36Å; M77-L98 HydrophobicContact CG-CD1 4.32Å; I79-L98 HydrophobicContact CD1-CD2 4.34Å; I79-L98 HydrophobicContact CG1-CD2 4.44Å; S96-L98 PolarHBondContact O-N 2.86Å; L98-I110 HydrophobicContact CB-CG2 4.02Å; L98-I110 HydrophobicContact CD1-CG2 3.96Å; L98-I110 HydrophobicContact CG-CG2 4.39Å; L98-K111 CarbonylContact C-O 3.49Å; L98-K111 VanDerWaalsContact CA-O 3.25Å; L98-K111 WeakPolarHBondContact CA-O 3.08Å |
| 99 | E | 97.6 | Very high | 95.9 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 19% | 0.187 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 118.6 | 163.8 | -174.2 | -178.2 | 129.3 | 0 | 0 | 108.4 | V64 R101 I110 K111 V113 | V64-E99 HydrophobicContact CG1-CG 3.42Å; V64-E99 VanDerWaalsContact CG1-CG 3.42Å; E99-R101 IonicContact OE1-CZ 2.64Å; E99-R101 IonicContact OE1-NE 2.93Å; E99-R101 PolarHBondContact OE1-NE 2.74Å; E99-R101 VanDerWaalsContact OE1-NE 3.08Å; E99-R101 IonicContact OE1-NH2 3.46Å; E99-R101 PolarHBondContact OE1-NH2 2.77Å; E99-I110 CarbonylContact O-C 3.52Å; E99-I110 WeakPolarHBondContact O-CA 3.12Å; E99-K111 HydrophobicContact CB-CB 4.44Å; E99-K111 PolarHBondContact N-O 2.87Å; E99-K111 PolarHBondContact O-N 2.83Å; E99-V113 HydrophobicContact CB-CG2 4.17Å |
| 100 | I | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 117.5 | 172.5 | -51.7 | 176.5 | 0 | 0 | 0 | 106.9 | R65 R67 L69 V108 I110 | R65-I100 HydrophobicContact CB-CB 4.48Å; R65-I100 PolarHBondContact N-O 2.99Å; R65-I100 PolarHBondContact O-N 3.45Å; R67-I100 HydrophobicContact CB-CD1 4.18Å; R67-I100 HydrophobicContact CG-CD1 4.3Å; L69-I100 HydrophobicContact CD2-CD1 3.83Å; L69-I100 HydrophobicContact CG-CD1 4.29Å; I100-V108 HydrophobicContact CG2-CB 3.88Å; I100-V108 HydrophobicContact CG2-CG1 3.97Å; I100-V108 HydrophobicContact CG2-CG2 4.14Å; I100-I110 HydrophobicContact CG1-CG1 4.38Å; I100-I110 HydrophobicContact CG2-CG1 4.34Å |
| 101 | R | 95.9 | Very high | 96 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133 | -177.7 | -178.5 | 177.9 | -70.4 | -126.7 | 6.6 | 110.7 | Y58 M59 G61 D63 V64 E99 V103 V108 A109 | Y58-R101 WeakPolarHBondContact O-CD 3.49Å; Y58-R101 PolarHBondContact O-NE 2.64Å; Y58-R101 PolarHBondContact O-NH1 2.75Å; M59-R101 VanDerWaalsContact C-NH1 3.27Å; M59-R101 PolarHBondContact O-NH1 2.82Å; G61-R101 WeakPolarHBondContact O-CD 3.42Å; D63-R101 WeakPolarHBondContact O-CA 3.43Å; V64-R101 HydrophobicContact CG2-CG 4.15Å; E99-R101 IonicContact OE1-CZ 2.64Å; E99-R101 IonicContact OE1-NE 2.93Å; E99-R101 PolarHBondContact OE1-NE 2.74Å; E99-R101 VanDerWaalsContact OE1-NE 3.08Å; E99-R101 IonicContact OE1-NH2 3.46Å; E99-R101 PolarHBondContact OE1-NH2 2.77Å; R101-V103 PolarHBondContact O-N 2.91Å; R101-V108 CarbonylContact O-C 3.52Å; R101-V108 WeakPolarHBondContact O-CA 2.87Å; R101-V108 WeakPolarHBondContact O-CB 2.86Å; R101-A109 PolarHBondContact N-O 3.07Å; R101-A109 PolarHBondContact O-N 2.05Å |
| 102 | T | 94.9 | Very high | 96.5 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 26% | 0.258 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 120.8 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | G62 D63 A104 | G62-T102 WeakPolarHBondContact CA-O 3.31Å; D63-T102 PolarHBondContact O-N 3.36Å; T102-A104 VanDerWaalsContact CG2-O 3.28Å; T102-A104 WeakPolarHBondContact CG2-O 3.35Å |
| 103 | V | 93 | Very high | 96.7 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 17% | 0.17 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -36 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | Y58 R101 V107 A109 | Y58-V103 HydrophobicContact CD1-CG2 3.88Å; Y58-V103 HydrophobicContact CE1-CG1 4.1Å; Y58-V103 HydrophobicContact CE1-CG2 3.86Å; R101-V103 PolarHBondContact O-N 2.91Å; V103-V107 PolarHBondContact N-O 3.17Å; V103-A109 HydrophobicContact CG2-CB 3.69Å |
| 104 | A | 92.6 | Very high | 96.8 | Very high | 42 Ų | 42 | 37 Ų | 37 | 35% | 0.347 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | T102 G106 V107 | T102-A104 VanDerWaalsContact CG2-O 3.28Å; T102-A104 WeakPolarHBondContact CG2-O 3.35Å; A104-G106 PolarHBondContact O-N 3.03Å; A104-G106 VanDerWaalsContact O-N 3.08Å; A104-V107 HydrophobicContact CB-CB 4.19Å; A104-V107 HydrophobicContact CB-CG2 4.48Å; A104-V107 PolarHBondContact N-O 3.18Å; A104-V107 PolarHBondContact O-N 2.81Å |
| 105 | V | 92.4 | Very high | 96.9 | Very high | 150 Ų | 150 | 33 Ų | 33 | 91% | 0.909 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 119.5 | 176 | -179.6 | 0 | 0 | 0 | 0 | 110 | V107 | V105-V107 PolarHBondContact O-N 3.01Š|
| 106 | G | 94.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 34.1 Ų | 34.1 | 38% | 0.381 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 4.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A104 I140 E141 | A104-G106 PolarHBondContact O-N 3.03Å; A104-G106 VanDerWaalsContact O-N 3.08Å; G106-I140 CarbonylContact O-C 3.53Å; G106-I140 VanDerWaalsContact O-CA 3.31Å; G106-I140 WeakPolarHBondContact O-CA 3.23Å; G106-E141 PolarHBondContact O-N 3.4Å |
| 107 | V | 97.1 | Very high | 96.9 | Very high | 26 Ų | 26 | 36.3 Ų | 36.3 | 16% | 0.158 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.5 | -179.8 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | V103 A104 V105 N138 F139 I140 A154 | V103-V107 PolarHBondContact N-O 3.17Å; A104-V107 HydrophobicContact CB-CB 4.19Å; A104-V107 HydrophobicContact CB-CG2 4.48Å; A104-V107 PolarHBondContact N-O 3.18Å; A104-V107 PolarHBondContact O-N 2.81Å; V105-V107 PolarHBondContact O-N 3.01Å; V107-N138 HydrophobicContact CG1-CB 3.85Å; V107-F139 CarbonylContact C-O 3.47Å; V107-F139 VanDerWaalsContact CA-O 3.3Å; V107-F139 WeakPolarHBondContact CA-O 3.36Å; V107-I140 HydrophobicContact CG2-CG1 4.37Å; V107-A154 HydrophobicContact CG1-CB 4.47Å |
| 108 | V | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.6 | -177.8 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | I100 R101 I110 F139 E141 Y151 | I100-V108 HydrophobicContact CG2-CB 3.88Å; I100-V108 HydrophobicContact CG2-CG1 3.97Å; I100-V108 HydrophobicContact CG2-CG2 4.14Å; R101-V108 CarbonylContact O-C 3.52Å; R101-V108 WeakPolarHBondContact O-CA 2.87Å; R101-V108 WeakPolarHBondContact O-CB 2.86Å; V108-I110 HydrophobicContact CG2-CD1 4.38Å; V108-I110 HydrophobicContact CG2-CG1 4.18Å; V108-F139 HydrophobicContact CG2-CB 4.33Å; V108-F139 PolarHBondContact N-O 2.82Å; V108-F139 PolarHBondContact O-N 3.47Å; V108-E141 HydrophobicContact CG1-CB 4.13Å; V108-E141 WeakPolarHBondContact CG1-OE2 2.83Å; V108-E141 HydrophobicContact CG2-CB 4.07Å; V108-Y151 HydrophobicContact CG2-CD1 3.95Å; V108-Y151 HydrophobicContact CG2-CE1 3.98Å |
| 109 | A | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 141.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y58 R101 V103 F118 | Y58-A109 HydrophobicContact CD1-CB 3.98Å; Y58-A109 HydrophobicContact CE1-CB 4.22Å; R101-A109 PolarHBondContact N-O 3.07Å; R101-A109 PolarHBondContact O-N 2.05Å; V103-A109 HydrophobicContact CG2-CB 3.69Å; A109-F118 HydrophobicContact CB-CD1 4.35Å |
| 110 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.3 | -177.7 | -58.1 | 165.1 | 0 | 0 | 0 | 107.8 | L69 L98 E99 I100 V108 F118 L119 F139 Y151 | L69-I110 HydrophobicContact CD1-CD1 4.02Å; L69-I110 HydrophobicContact CD1-CG2 4.36Å; L98-I110 HydrophobicContact CB-CG2 4.02Å; L98-I110 HydrophobicContact CD1-CG2 3.96Å; L98-I110 HydrophobicContact CG-CG2 4.39Å; E99-I110 CarbonylContact O-C 3.52Å; E99-I110 WeakPolarHBondContact O-CA 3.12Å; I100-I110 HydrophobicContact CG1-CG1 4.38Å; I100-I110 HydrophobicContact CG2-CG1 4.34Å; V108-I110 HydrophobicContact CG2-CD1 4.38Å; V108-I110 HydrophobicContact CG2-CG1 4.18Å; I110-F118 CarbonylContact O-C 3.5Å; I110-F118 WeakPolarHBondContact O-CA 3.22Å; I110-L119 HydrophobicContact CB-CB 4.15Å; I110-L119 HydrophobicContact CB-CD2 4.46Å; I110-L119 HydrophobicContact CD1-CD2 4.09Å; I110-L119 HydrophobicContact CG2-CB 4.48Å; I110-L119 PolarHBondContact O-N 3.06Å; I110-F139 HydrophobicContact CD1-CD2 4.31Å; I110-Y151 HydrophobicContact CD1-CD1 3.87Å; I110-Y151 HydrophobicContact CD1-CE1 4.04Å; I110-Y151 HydrophobicContact CD1-CG 4.29Å |
| 111 | K | 98.4 | Very high | 97 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 8% | 0.078 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.6 | -177.8 | -171.3 | -171.6 | 177 | -160.6 | 0 | 110.4 | L98 E99 V113 E116 F118 | L98-K111 CarbonylContact C-O 3.49Å; L98-K111 VanDerWaalsContact CA-O 3.25Å; L98-K111 WeakPolarHBondContact CA-O 3.08Å; E99-K111 HydrophobicContact CB-CB 4.44Å; E99-K111 PolarHBondContact N-O 2.87Å; E99-K111 PolarHBondContact O-N 2.83Å; K111-V113 PolarHBondContact O-N 2.79Å; K111-E116 VanDerWaalsContact CE-CD 3.5Å; K111-E116 WeakPolarHBondContact CE-OE1 3.23Å; K111-E116 VanDerWaalsContact CE-OE2 3.31Å; K111-E116 WeakPolarHBondContact CE-OE2 3.32Å; K111-E116 IonicContact NZ-OE1 3.21Å; K111-E116 PolarHBondContact NZ-OE1 2.78Å; K111-E116 IonicContact NZ-OE2 3.01Å; K111-E116 PolarHBondContact NZ-OE2 2.73Å; K111-F118 HydrophobicContact CB-CD1 3.82Å; K111-F118 HydrophobicContact CB-CE1 3.88Å; K111-F118 HydrophobicContact CB-CG 4.35Å; K111-F118 HydrophobicContact CB-CZ 4.45Å; K111-F118 HydrophobicContact CD-CE1 4Å; K111-F118 HydrophobicContact CD-CE2 4.06Å; K111-F118 HydrophobicContact CD-CZ 3.74Å; K111-F118 HydrophobicContact CG-CD1 4.13Å; K111-F118 HydrophobicContact CG-CD2 4.35Å; K111-F118 HydrophobicContact CG-CE1 4.09Å; K111-F118 HydrophobicContact CG-CE2 4.3Å; K111-F118 HydrophobicContact CG-CG 4.27Å; K111-F118 HydrophobicContact CG-CZ 4.18Å |
| 112 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 122.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E116 Y117 | G112-E116 VanDerWaalsContact O-CA 3.29Å; G112-E116 WeakPolarHBondContact O-CA 3.41Å; G112-E116 PolarHBondContact O-N 2.96Å; G112-Y117 PolarHBondContact N-O 2.73Å |
| 113 | V | 97.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 39 Ų | 39 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -50.1 | -176.6 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | V66 I97 E99 K111 | V66-V113 HydrophobicContact CG1-CG2 4.47Å; I97-V113 HydrophobicContact CG2-CB 4.17Å; I97-V113 HydrophobicContact CG2-CG2 3.9Å; I97-V113 PolarHBondContact O-N 2.96Å; E99-V113 HydrophobicContact CB-CG2 4.17Å; K111-V113 PolarHBondContact O-N 2.79Å |
| 114 | E | 97.9 | Very high | 97.5 | Very high | 105 Ų | 105 | 40.1 Ų | 40.1 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -38.9 | -179.3 | -179.1 | 65.1 | -161.6 | 0 | 0 | 112.6 | N94 Y95 | N94-E114 HydrophobicContact CB-CB 4.26Å; N94-E114 HydrophobicContact CB-CG 4.11Å; Y95-E114 HydrophobicContact CD1-CB 3.99Å; Y95-E114 HydrophobicContact CD1-CG 3.72Å; Y95-E114 HydrophobicContact CE1-CB 4.25Å; Y95-E114 HydrophobicContact CE1-CG 3.53Å; Y95-E114 HydrophobicContact CG-CG 4.39Å |
| 115 | S | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -15 | -173.9 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | I79 D80 Y117 K131 | I79-S115 WeakPolarHBondContact O-CB 3.27Å; I79-S115 PolarHBondContact O-OG 2.88Å; D80-S115 WeakPolarHBondContact O-CB 3.34Å; S115-Y117 WeakPolarHBondContact O-CD2 3.34Å; S115-Y117 PolarHBondContact O-N 3.38Å; S115-Y117 VanDerWaalsContact O-N 3.15Å; S115-K131 PolarHBondContact O-NZ 2.84Å |
| 116 | E | 98 | Very high | 98 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 40% | 0.402 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 27.3 | -175.3 | -66.3 | -70.2 | 93.6 | 0 | 0 | 113.1 | K111 G112 K131 | K111-E116 VanDerWaalsContact CE-CD 3.5Å; K111-E116 WeakPolarHBondContact CE-OE1 3.23Å; K111-E116 VanDerWaalsContact CE-OE2 3.31Å; K111-E116 WeakPolarHBondContact CE-OE2 3.32Å; K111-E116 IonicContact NZ-OE1 3.21Å; K111-E116 PolarHBondContact NZ-OE1 2.78Å; K111-E116 IonicContact NZ-OE2 3.01Å; K111-E116 PolarHBondContact NZ-OE2 2.73Å; G112-E116 VanDerWaalsContact O-CA 3.29Å; G112-E116 WeakPolarHBondContact O-CA 3.41Å; G112-E116 PolarHBondContact O-N 2.96Å; E116-K131 VanDerWaalsContact O-CD 3.23Å; E116-K131 WeakPolarHBondContact O-CD 3.42Å |
| 117 | Y | 98.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 37.6 Ų | 37.6 | 18% | 0.184 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.3 | 175.9 | -80.4 | -85.1 | 0 | 0 | 0 | 110.2 | I79 K81 G112 S115 G129 K131 | I79-Y117 HydrophobicContact CG2-CG 4.47Å; K81-Y117 WeakPolarHBondContact O-CE2 3.04Å; G112-Y117 PolarHBondContact N-O 2.73Å; S115-Y117 WeakPolarHBondContact O-CD2 3.34Å; S115-Y117 PolarHBondContact O-N 3.38Å; S115-Y117 VanDerWaalsContact O-N 3.15Å; Y117-G129 VanDerWaalsContact CD1-C 3.46Å; Y117-K131 HydrophobicContact CD1-CD 3.91Å; Y117-K131 HydrophobicContact CD1-CG 4.05Å; Y117-K131 HydrophobicContact CD2-CD 4.2Å; Y117-K131 HydrophobicContact CE1-CD 3.82Å; Y117-K131 HydrophobicContact CE1-CG 3.66Å; Y117-K131 HydrophobicContact CE2-CD 4.09Å; Y117-K131 VanDerWaalsContact CE2-CE 3.47Å; Y117-K131 HydrophobicContact CG-CD 4.11Å |
| 118 | F | 98.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136.2 | 165.7 | -65.9 | -92 | 0 | 0 | 0 | 110.3 | M59 A109 I110 K111 A120 G129 K130 K131 C133 C137 | M59-F118 HydrophobicContact CE-CE2 4.24Å; M59-F118 HydrophobicContact CE-CZ 3.92Å; M59-F118 HydrophobicContact SD-CZ 4.49Å; A109-F118 HydrophobicContact CB-CD1 4.35Å; I110-F118 CarbonylContact O-C 3.5Å; I110-F118 WeakPolarHBondContact O-CA 3.22Å; K111-F118 HydrophobicContact CB-CD1 3.82Å; K111-F118 HydrophobicContact CB-CE1 3.88Å; K111-F118 HydrophobicContact CB-CG 4.35Å; K111-F118 HydrophobicContact CB-CZ 4.45Å; K111-F118 HydrophobicContact CD-CE1 4Å; K111-F118 HydrophobicContact CD-CE2 4.06Å; K111-F118 HydrophobicContact CD-CZ 3.74Å; K111-F118 HydrophobicContact CG-CD1 4.13Å; K111-F118 HydrophobicContact CG-CD2 4.35Å; K111-F118 HydrophobicContact CG-CE1 4.09Å; K111-F118 HydrophobicContact CG-CE2 4.3Å; K111-F118 HydrophobicContact CG-CG 4.27Å; K111-F118 HydrophobicContact CG-CZ 4.18Å; F118-A120 PolarHBondContact O-N 2.83Å; F118-G129 CarbonylContact O-C 3.53Å; F118-G129 VanDerWaalsContact O-CA 3.26Å; F118-G129 WeakPolarHBondContact O-CA 3.5Å; F118-K130 PolarHBondContact N-O 3.01Å; F118-K130 PolarHBondContact O-N 2.66Å; F118-K131 WeakPolarHBondContact CD2-O 3.36Å; F118-C133 HydrophobicContact CB-CB 4.29Å; F118-C133 HydrophobicContact CD1-CB 3.91Å; F118-C133 HydrophobicContact CD2-CB 3.76Å; F118-C133 HydrophobicContact CE1-CB 4.12Å; F118-C133 HydrophobicContact CE2-CB 3.98Å; F118-C133 HydrophobicContact CG-CB 3.71Å; F118-C133 HydrophobicContact CZ-CB 4.14Å; F118-C137 HydrophobicContact CB-CB 4.23Å |
| 119 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 132.1 | 164 | -175.8 | 62.8 | 0 | 0 | 0 | 108.3 | M77 I79 V85 I110 L127 C137 F139 V165 | M77-L119 HydrophobicContact SD-CD1 4.28Å; M77-L119 HydrophobicContact SD-CD2 3.81Å; I79-L119 HydrophobicContact CD1-CB 3.93Å; I79-L119 HydrophobicContact CD1-CD1 4.45Å; V85-L119 HydrophobicContact CB-CD1 4.38Å; V85-L119 HydrophobicContact CG1-CD1 3.84Å; V85-L119 HydrophobicContact CG2-CD1 3.62Å; I110-L119 HydrophobicContact CB-CB 4.15Å; I110-L119 HydrophobicContact CB-CD2 4.46Å; I110-L119 HydrophobicContact CD1-CD2 4.09Å; I110-L119 HydrophobicContact CG2-CB 4.48Å; I110-L119 PolarHBondContact O-N 3.06Å; L119-L127 HydrophobicContact CD1-CD2 4.19Å; L119-C137 VanDerWaalsContact O-CA 3.31Å; L119-C137 WeakPolarHBondContact O-CA 3.29Å; L119-C137 VanDerWaalsContact O-CB 3.22Å; L119-C137 WeakPolarHBondContact O-CB 3.36Å; L119-F139 HydrophobicContact CB-CE2 4.03Å; L119-F139 HydrophobicContact CB-CZ 4.47Å; L119-F139 HydrophobicContact CD2-CE2 3.95Å; L119-F139 HydrophobicContact CD2-CZ 4.09Å; L119-F139 HydrophobicContact CG-CE2 3.81Å; L119-F139 HydrophobicContact CG-CZ 3.83Å; L119-F139 VanDerWaalsContact O-CE2 3.32Å; L119-F139 WeakPolarHBondContact O-CE2 3.33Å; L119-V165 HydrophobicContact CD2-CG1 4.02Å; L119-V165 HydrophobicContact CD2-CG2 3.94Å |
| 120 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 150.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F118 L127 Y128 K130 D136 | F118-A120 PolarHBondContact O-N 2.83Å; A120-L127 WeakPolarHBondContact O-CA 3.36Å; A120-Y128 HydrophobicContact CB-CD1 4.04Å; A120-Y128 HydrophobicContact CB-CD2 4.47Å; A120-Y128 HydrophobicContact CB-CE1 3.61Å; A120-Y128 HydrophobicContact CB-CE2 4.1Å; A120-Y128 HydrophobicContact CB-CG 4.46Å; A120-Y128 PolarHBondContact N-O 3.08Å; A120-Y128 WeakPolarHBondContact O-CD1 3.45Å; A120-Y128 PolarHBondContact O-N 3.15Å; A120-K130 HydrophobicContact CB-CB 4.32Å; A120-D136 WeakPolarHBondContact CA-O 3.19Å; A120-D136 HydrophobicContact CB-CB 4.08Å |
| 121 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129 | 171.1 | -167.7 | -177.9 | -63.3 | 0 | 0 | 109.9 | L127 D136 F139 W156 M163 F164 | M121-L127 HydrophobicContact CB-CD2 3.93Å; M121-L127 HydrophobicContact CE-CD2 3.64Å; M121-L127 HydrophobicContact CE-CG 4.25Å; M121-L127 HydrophobicContact CG-CD2 4.21Å; M121-D136 PolarHBondContact N-O 3.04Å; M121-D136 WeakPolarHBondContact O-CB 3.31Å; M121-D136 VanDerWaalsContact O-CG 3.3Å; M121-F139 HydrophobicContact CB-CE1 4.11Å; M121-F139 HydrophobicContact CB-CZ 4.42Å; M121-W156 PolarHBondContact O-NE1 3.22Å; M121-M163 HydrophobicContact CE-CB 4.4Å; M121-M163 HydrophobicContact SD-CB 3.62Å; M121-M163 HydrophobicContact SD-CE 4.16Å; M121-F164 WeakPolarHBondContact CE-O 3.31Å |
| 122 | N | 98.3 | Very high | 98 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | trans | -90.6 | 171.6 | 176.2 | 68.8 | 22.8 | 0 | 0 | 0 | 112.2 | S124 G125 R126 Y128 | N122-S124 PolarHBondContact O-N 3.08Å; N122-S124 WeakPolarHBondContact OD1-CA 3.42Å; N122-S124 WeakPolarHBondContact OD1-CB 3.43Å; N122-S124 PolarHBondContact OD1-N 3.29Å; N122-S124 PolarHBondContact OD1-OG 3.5Å; N122-G125 WeakPolarHBondContact O-CA 3.35Å; N122-G125 PolarHBondContact O-N 3.38Å; N122-G125 PolarHBondContact OD1-N 3.38Å; N122-R126 PolarHBondContact N-O 3.34Å; N122-R126 PolarHBondContact OD1-N 3.35Å; N122-Y128 HydrophobicContact CB-CD1 4.5Å; N122-Y128 HydrophobicContact CB-CE1 3.82Å | ||
| 123 | K | 98.1 | Very high | 97.8 | Very high | 154 Ų | 154 | 52.5 Ų | 52.5 | 67% | 0.67 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -27 | 176.5 | -171.6 | 175.4 | -176.9 | 177 | 0 | 114.9 | G125 W156 | K123-G125 PolarHBondContact O-N 3.45Å; K123-W156 HydrophobicContact CB-CD2 3.9Å; K123-W156 HydrophobicContact CB-CE3 3.74Å; K123-W156 HydrophobicContact CB-CH2 3.88Å; K123-W156 HydrophobicContact CB-CZ2 4.02Å; K123-W156 HydrophobicContact CB-CZ3 3.75Å; K123-W156 HydrophobicContact CD-CE3 4.32Å; K123-W156 HydrophobicContact CD-CH2 4.17Å; K123-W156 HydrophobicContact CD-CZ3 3.75Å; K123-W156 HydrophobicContact CG-CD2 4.37Å; K123-W156 HydrophobicContact CG-CE3 3.73Å; K123-W156 HydrophobicContact CG-CH2 4.24Å; K123-W156 HydrophobicContact CG-CZ3 3.68Å |
| 124 | S | 97.9 | Very high | 97.6 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -9.1 | 177.1 | 81.1 | 0 | 0 | 0 | 0 | 113.4 | N122 K177 | N122-S124 PolarHBondContact O-N 3.08Å; N122-S124 WeakPolarHBondContact OD1-CA 3.42Å; N122-S124 WeakPolarHBondContact OD1-CB 3.43Å; N122-S124 PolarHBondContact OD1-N 3.29Å; N122-S124 PolarHBondContact OD1-OG 3.5Å; S124-K177 WeakPolarHBondContact O-CE 3.49Å |
| 125 | G | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | 81.7 | 18.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | N122 K123 K175 G176 | N122-G125 WeakPolarHBondContact O-CA 3.35Å; N122-G125 PolarHBondContact O-N 3.38Å; N122-G125 PolarHBondContact OD1-N 3.38Å; K123-G125 PolarHBondContact O-N 3.45Å; G125-K175 CarbonylContact O-C 3.55Å; G125-K175 WeakPolarHBondContact O-CA 3.21Å; G125-G176 PolarHBondContact O-N 3.27Å | ||
| 126 | R | 98.5 | Very high | 97.5 | Very high | 164 Ų | 164 | 51.6 Ų | 51.6 | 62% | 0.619 | 25% | 0.247 | S | C | * | . | trans | -88.9 | 128.3 | 178.6 | 176.5 | 175.8 | 166.5 | 140.3 | -5.4 | 109.6 | N122 | N122-R126 PolarHBondContact N-O 3.34Å; N122-R126 PolarHBondContact OD1-N 3.35Å | ||
| 127 | L | 98.7 | Very high | 97.5 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 137.9 | 168.7 | -69.8 | 177.1 | 0 | 0 | 0 | 111.4 | V85 L119 A120 M121 V165 P173 | V85-L127 HydrophobicContact CB-CB 4.41Å; V85-L127 HydrophobicContact CG1-CB 4.49Å; V85-L127 HydrophobicContact CG2-CB 4.46Å; L119-L127 HydrophobicContact CD1-CD2 4.19Å; A120-L127 WeakPolarHBondContact O-CA 3.36Å; M121-L127 HydrophobicContact CB-CD2 3.93Å; M121-L127 HydrophobicContact CE-CD2 3.64Å; M121-L127 HydrophobicContact CE-CG 4.25Å; M121-L127 HydrophobicContact CG-CD2 4.21Å; L127-V165 HydrophobicContact CD1-CB 4.45Å; L127-V165 HydrophobicContact CD1-CG1 4.02Å; L127-V165 HydrophobicContact CD2-CG2 4.17Å; L127-P173 HydrophobicContact CB-CB 4.23Å; L127-P173 HydrophobicContact CD1-CB 3.94Å |
| 128 | Y | 98.6 | Very high | 97.4 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 21% | 0.208 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 163.4 | 179 | 69.5 | -71.7 | 0 | 0 | 0 | 110.3 | A120 N122 K130 D136 | A120-Y128 HydrophobicContact CB-CD1 4.04Å; A120-Y128 HydrophobicContact CB-CD2 4.47Å; A120-Y128 HydrophobicContact CB-CE1 3.61Å; A120-Y128 HydrophobicContact CB-CE2 4.1Å; A120-Y128 HydrophobicContact CB-CG 4.46Å; A120-Y128 PolarHBondContact N-O 3.08Å; A120-Y128 WeakPolarHBondContact O-CD1 3.45Å; A120-Y128 PolarHBondContact O-N 3.15Å; N122-Y128 HydrophobicContact CB-CD1 4.5Å; N122-Y128 HydrophobicContact CB-CE1 3.82Å; Y128-K130 HydrophobicContact CD2-CB 4.44Å; Y128-K130 HydrophobicContact CE2-CB 3.95Å; Y128-K130 HydrophobicContact CE2-CD 4.14Å; Y128-K130 HydrophobicContact CE2-CG 4.29Å; Y128-D136 PolarHBondContact OH-OD2 2.61Å |
| 129 | G | 98.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 46 Ų | 46 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 138.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G83 Y117 F118 | G83-G129 WeakPolarHBondContact O-CA 3.29Å; G83-G129 PolarHBondContact O-N 3.34Å; Y117-G129 VanDerWaalsContact CD1-C 3.46Å; F118-G129 CarbonylContact O-C 3.53Å; F118-G129 VanDerWaalsContact O-CA 3.26Å; F118-G129 WeakPolarHBondContact O-CA 3.5Å |
| 130 | K | 97.3 | Very high | 97.5 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 27% | 0.274 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141.3 | 174.3 | -164.3 | 176.7 | -175.8 | 176.7 | 0 | 111.8 | F118 A120 Y128 V132 N134 | F118-K130 PolarHBondContact N-O 3.01Å; F118-K130 PolarHBondContact O-N 2.66Å; A120-K130 HydrophobicContact CB-CB 4.32Å; Y128-K130 HydrophobicContact CD2-CB 4.44Å; Y128-K130 HydrophobicContact CE2-CB 3.95Å; Y128-K130 HydrophobicContact CE2-CD 4.14Å; Y128-K130 HydrophobicContact CE2-CG 4.29Å; K130-V132 VanDerWaalsContact CD-O 3.23Å; K130-V132 WeakPolarHBondContact CD-O 3.26Å; K130-V132 WeakPolarHBondContact CE-O 3.35Å; K130-V132 WeakPolarHBondContact CG-O 3.4Å; K130-N134 PolarHBondContact NZ-ND2 2.84Å |
| 131 | K | 95.8 | Very high | 97.4 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -75.5 | -47.1 | -179.6 | -73.7 | -59.2 | -160.7 | 175.7 | 0 | 112.8 | S115 E116 Y117 F118 | S115-K131 PolarHBondContact O-NZ 2.84Å; E116-K131 VanDerWaalsContact O-CD 3.23Å; E116-K131 WeakPolarHBondContact O-CD 3.42Å; Y117-K131 HydrophobicContact CD1-CD 3.91Å; Y117-K131 HydrophobicContact CD1-CG 4.05Å; Y117-K131 HydrophobicContact CD2-CD 4.2Å; Y117-K131 HydrophobicContact CE1-CD 3.82Å; Y117-K131 HydrophobicContact CE1-CG 3.66Å; Y117-K131 HydrophobicContact CE2-CD 4.09Å; Y117-K131 VanDerWaalsContact CE2-CE 3.47Å; Y117-K131 HydrophobicContact CG-CD 4.11Å; F118-K131 WeakPolarHBondContact CD2-O 3.36Å |
| 132 | V | 94.6 | Very high | 97.4 | Very high | 114 Ų | 114 | 53.2 Ų | 53.2 | 69% | 0.691 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -100.2 | 117.4 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | K130 | K130-V132 VanDerWaalsContact CD-O 3.23Å; K130-V132 WeakPolarHBondContact CD-O 3.26Å; K130-V132 WeakPolarHBondContact CE-O 3.35Å; K130-V132 WeakPolarHBondContact CG-O 3.4Å |
| 133 | C | 93.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | trans | -77.5 | 147.9 | -176.6 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | Y58 F118 C137 | Y58-C133 HydrophobicContact CD1-CB 4.3Å; Y58-C133 HydrophobicContact CD2-CB 3.7Å; Y58-C133 HydrophobicContact CE1-CB 4.43Å; Y58-C133 WeakPolarHBondContact CE1-SG 3.35Å; Y58-C133 HydrophobicContact CE2-CB 3.85Å; Y58-C133 HydrophobicContact CG-CB 3.93Å; F118-C133 HydrophobicContact CB-CB 4.29Å; F118-C133 HydrophobicContact CD1-CB 3.91Å; F118-C133 HydrophobicContact CD2-CB 3.76Å; F118-C133 HydrophobicContact CE1-CB 4.12Å; F118-C133 HydrophobicContact CE2-CB 3.98Å; F118-C133 HydrophobicContact CG-CB 3.71Å; F118-C133 HydrophobicContact CZ-CB 4.14Å; C133-C137 WeakPolarHBondContact CA-SG 3.29Å; C133-C137 HydrophobicContact CB-CB 4.35Å; C133-C137 WeakPolarHBondContact CB-SG 3.37Å; C133-C137 WeakPolarHBondContact SG-CB 3.39Å; C133-C137 CovalentContact SG-SG 2.05Å; C133-C137 PolarHBondContact SG-SG 2.78Å | ||
| 134 | N | 93.4 | Very high | 97.3 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 32% | 0.321 | 26% | 0.255 | S | S | . | . | trans | -147.2 | -167.4 | 171.2 | 68.3 | -4.2 | 0 | 0 | 0 | 108.1 | Y58 K130 D136 C137 | Y58-N134 PolarHBondContact OH-O 2.86Å; Y58-N134 VanDerWaalsContact OH-O 3.05Å; K130-N134 PolarHBondContact NZ-ND2 2.84Å; N134-D136 PolarHBondContact O-N 3.49Å; N134-D136 WeakPolarHBondContact OD1-CB 3.31Å; N134-D136 PolarHBondContact OD1-N 2.94Å; N134-D136 VanDerWaalsContact OD1-N 3.14Å; N134-C137 PolarHBondContact N-SG 3.15Å; N134-C137 VanDerWaalsContact N-SG 3.37Å; N134-C137 PolarHBondContact O-N 3.47Å; N134-C137 PolarHBondContact O-SG 3.01Å | ||
| 135 | E | 95.7 | Very high | 96.9 | Very high | 77 Ų | 77 | 58.2 Ų | 58.2 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -54.7 | -20.4 | -178.4 | -57.7 | 166.1 | 175.3 | 0 | 0 | 115 | C137 N138 K155 | E135-C137 PolarHBondContact O-N 2.76Å; E135-N138 PolarHBondContact O-N 2.84Å; E135-K155 HydrophobicContact CB-CD 3.67Å; E135-K155 WeakPolarHBondContact OE2-CD 3.23Å; E135-K155 WeakPolarHBondContact OE2-CE 3.44Å; E135-K155 IonicContact OE2-NZ 3.47Å; E135-K155 PolarHBondContact OE2-NZ 2.83Å |
| 136 | D | 98.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 60.8 Ų | 60.8 | 8% | 0.075 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -67.4 | -21.9 | 174.8 | -75.2 | 7.4 | 0 | 0 | 0 | 113.1 | A120 M121 Y128 N134 W156 | A120-D136 WeakPolarHBondContact CA-O 3.19Å; A120-D136 HydrophobicContact CB-CB 4.08Å; M121-D136 PolarHBondContact N-O 3.04Å; M121-D136 WeakPolarHBondContact O-CB 3.31Å; M121-D136 VanDerWaalsContact O-CG 3.3Å; Y128-D136 PolarHBondContact OH-OD2 2.61Å; N134-D136 PolarHBondContact O-N 3.49Å; N134-D136 WeakPolarHBondContact OD1-CB 3.31Å; N134-D136 PolarHBondContact OD1-N 2.94Å; N134-D136 VanDerWaalsContact OD1-N 3.14Å; D136-W156 PolarHBondContact OD1-NE1 3.37Å |
| 137 | C | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -90 | -4.9 | 176.6 | -16.4 | 0 | 0 | 0 | 0 | 113.8 | F118 L119 C133 N134 E135 F139 | F118-C137 HydrophobicContact CB-CB 4.23Å; L119-C137 VanDerWaalsContact O-CA 3.31Å; L119-C137 WeakPolarHBondContact O-CA 3.29Å; L119-C137 VanDerWaalsContact O-CB 3.22Å; L119-C137 WeakPolarHBondContact O-CB 3.36Å; C133-C137 WeakPolarHBondContact CA-SG 3.29Å; C133-C137 HydrophobicContact CB-CB 4.35Å; C133-C137 WeakPolarHBondContact CB-SG 3.37Å; C133-C137 WeakPolarHBondContact SG-CB 3.39Å; C133-C137 CovalentContact SG-SG 2.05Å; C133-C137 PolarHBondContact SG-SG 2.78Å; N134-C137 PolarHBondContact N-SG 3.15Å; N134-C137 VanDerWaalsContact N-SG 3.37Å; N134-C137 PolarHBondContact O-N 3.47Å; N134-C137 PolarHBondContact O-SG 3.01Å; E135-C137 PolarHBondContact O-N 2.76Å; C137-F139 WeakPolarHBondContact O-CD2 3.26Å; C137-F139 VanDerWaalsContact O-CE2 3.23Å; C137-F139 WeakPolarHBondContact O-CE2 3.35Å; C137-F139 PolarHBondContact O-N 2.83Å |
| 138 | N | 97.9 | Very high | 96.2 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | trans | -79.6 | 117.8 | -178.1 | -67.9 | -4.3 | 0 | 0 | 0 | 108.5 | Y58 V107 E135 A154 | Y58-N138 VanDerWaalsContact CE1-OD1 3.23Å; Y58-N138 WeakPolarHBondContact CE1-OD1 3.2Å; Y58-N138 PolarHBondContact OH-ND2 3.2Å; Y58-N138 PolarHBondContact OH-OD1 2.84Å; V107-N138 HydrophobicContact CG1-CB 3.85Å; E135-N138 PolarHBondContact O-N 2.84Å; N138-A154 HydrophobicContact CB-CB 3.84Å; N138-A154 VanDerWaalsContact O-CB 3.31Å; N138-A154 WeakPolarHBondContact O-CB 3.5Å; N138-A154 PolarHBondContact O-N 3.49Å | ||
| 139 | F | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.6 | 176.1 | -59.4 | -79.1 | 0 | 0 | 0 | 110.9 | V107 V108 I110 L119 M121 C137 E141 Y151 A152 V165 | V107-F139 CarbonylContact C-O 3.47Å; V107-F139 VanDerWaalsContact CA-O 3.3Å; V107-F139 WeakPolarHBondContact CA-O 3.36Å; V108-F139 HydrophobicContact CG2-CB 4.33Å; V108-F139 PolarHBondContact N-O 2.82Å; V108-F139 PolarHBondContact O-N 3.47Å; I110-F139 HydrophobicContact CD1-CD2 4.31Å; L119-F139 HydrophobicContact CB-CE2 4.03Å; L119-F139 HydrophobicContact CB-CZ 4.47Å; L119-F139 HydrophobicContact CD2-CE2 3.95Å; L119-F139 HydrophobicContact CD2-CZ 4.09Å; L119-F139 HydrophobicContact CG-CE2 3.81Å; L119-F139 HydrophobicContact CG-CZ 3.83Å; L119-F139 VanDerWaalsContact O-CE2 3.32Å; L119-F139 WeakPolarHBondContact O-CE2 3.33Å; M121-F139 HydrophobicContact CB-CE1 4.11Å; M121-F139 HydrophobicContact CB-CZ 4.42Å; C137-F139 WeakPolarHBondContact O-CD2 3.26Å; C137-F139 VanDerWaalsContact O-CE2 3.23Å; C137-F139 WeakPolarHBondContact O-CE2 3.35Å; C137-F139 PolarHBondContact O-N 2.83Å; F139-E141 PolarHBondContact O-N 3.45Å; F139-Y151 HydrophobicContact CB-CD1 4.44Å; F139-A152 CarbonylContact C-O 3.52Å; F139-A152 WeakPolarHBondContact CA-O 3.11Å; F139-V165 HydrophobicContact CD1-CG2 3.63Å; F139-V165 HydrophobicContact CE1-CG2 3.48Å; F139-V165 VanDerWaalsContact CE1-CG2 3.48Å; F139-V165 HydrophobicContact CG-CG2 4.32Å; F139-V165 HydrophobicContact CZ-CG2 4.07Å |
| 140 | I | 98.7 | Very high | 96.2 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 115.5 | 169.2 | -56.6 | 171.2 | 0 | 0 | 0 | 107 | G106 V107 L142 Y151 A152 A154 | G106-I140 CarbonylContact O-C 3.53Å; G106-I140 VanDerWaalsContact O-CA 3.31Å; G106-I140 WeakPolarHBondContact O-CA 3.23Å; V107-I140 HydrophobicContact CG2-CG1 4.37Å; I140-L142 HydrophobicContact CG2-CD2 4.33Å; I140-L142 HydrophobicContact CG2-CG 4.12Å; I140-Y151 VanDerWaalsContact O-CA 3.32Å; I140-Y151 WeakPolarHBondContact O-CA 3.25Å; I140-A152 HydrophobicContact CB-CB 4.48Å; I140-A152 PolarHBondContact N-O 2.73Å; I140-A152 PolarHBondContact O-N 3.45Å; I140-A154 HydrophobicContact CD1-CB 4.43Å; I140-A154 HydrophobicContact CG1-CB 3.95Å |
| 141 | E | 98.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.8 | 175.6 | 179.2 | 178.1 | -142.1 | 0 | 0 | 109.1 | R65 G106 V108 F139 N149 T150 Y151 | R65-E141 IonicContact CZ-OE2 3.71Å; R65-E141 IonicContact NH1-OE1 2.76Å; R65-E141 PolarHBondContact NH1-OE1 2.9Å; R65-E141 IonicContact NH1-OE2 3.29Å; R65-E141 PolarHBondContact NH1-OE2 2.92Å; R65-E141 IonicContact NH2-OE1 3.72Å; R65-E141 IonicContact NH2-OE2 3.08Å; R65-E141 PolarHBondContact NH2-OE2 2.84Å; G106-E141 PolarHBondContact O-N 3.4Å; V108-E141 HydrophobicContact CG1-CB 4.13Å; V108-E141 WeakPolarHBondContact CG1-OE2 2.83Å; V108-E141 HydrophobicContact CG2-CB 4.07Å; F139-E141 PolarHBondContact O-N 3.45Å; E141-N149 HydrophobicContact CG-CB 4.48Å; E141-N149 PolarHBondContact OE1-ND2 2.74Å; E141-T150 WeakPolarHBondContact CA-O 3.35Å; E141-Y151 HydrophobicContact CB-CD1 4.04Å; E141-Y151 HydrophobicContact CB-CE1 3.88Å; E141-Y151 HydrophobicContact CG-CD1 4.22Å; E141-Y151 HydrophobicContact CG-CE1 3.63Å; E141-Y151 PolarHBondContact OE1-OH 2.9Å; E141-Y151 VanDerWaalsContact OE1-OH 3.1Å |
| 142 | L | 98.2 | Very high | 96.4 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.1 | 174 | -64.3 | 177.2 | 0 | 0 | 0 | 110.2 | I140 N149 T150 | I140-L142 HydrophobicContact CG2-CD2 4.33Å; I140-L142 HydrophobicContact CG2-CG 4.12Å; L142-N149 CarbonylContact O-C 3.41Å; L142-N149 WeakPolarHBondContact O-CA 3.38Å; L142-T150 PolarHBondContact N-O 2.83Å; L142-T150 VanDerWaalsContact N-O 3.11Å; L142-T150 PolarHBondContact O-N 3.22Å |
| 143 | I | 97.4 | Very high | 96.6 | Very high | 131 Ų | 131 | 46.2 Ų | 46.2 | 67% | 0.672 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.6 | 169.8 | -54.6 | 173.8 | 0 | 0 | 0 | 107.7 | ||
| 144 | E | 95.6 | Very high | 96.8 | Very high | 26 Ų | 26 | 47.7 Ų | 47.7 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | trans | -86.3 | 160.5 | 176.8 | -57.5 | -55.8 | 154.2 | 0 | 0 | 111.5 | N146 H147 Y148 T150 K181 | E144-N146 PolarHBondContact O-N 3.48Å; E144-H147 PolarHBondContact O-N 2.82Å; E144-Y148 VanDerWaalsContact CB-O 3.26Å; E144-Y148 WeakPolarHBondContact CB-O 3.38Å; E144-Y148 WeakPolarHBondContact CG-O 3.45Å; E144-Y148 PolarHBondContact N-O 3.41Å; E144-T150 HydrophobicContact CG-CG2 3.72Å; E144-T150 WeakPolarHBondContact OE1-CB 3.48Å; E144-T150 WeakPolarHBondContact OE1-CG2 3.4Å; E144-T150 PolarHBondContact OE1-OG1 2.83Å; E144-K181 WeakPolarHBondContact OE1-CE 3.36Å; E144-K181 IonicContact OE1-NZ 2.66Å; E144-K181 WeakPolarHBondContact OE2-CE 3.37Å; E144-K181 IonicContact OE2-NZ 3.72Å; E144-K181 PolarHBondContact OE2-NZ 3.43Å | ||
| 145 | E | 89.7 | Confident | 97 | Very high | 198 Ų | 198 | 49 Ų | 49 | 93% | 0.925 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.4 | 177.2 | -62.4 | 175.9 | 176.7 | 0 | 0 | 113.5 | H147 | E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 2.8Å |
| 146 | N | 89.8 | Confident | 97.2 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 11.7 | 177.9 | 65.4 | 27.9 | 0 | 0 | 0 | 113.8 | R72 E144 Y148 H187 | R72-N146 PolarHBondContact NH1-ND2 3.35Å; E144-N146 PolarHBondContact O-N 3.48Å; N146-Y148 WeakPolarHBondContact O-CD2 3.42Å; N146-Y148 PolarHBondContact O-N 2.87Å; N146-Y148 VanDerWaalsContact OD1-CB 3.31Å; N146-Y148 WeakPolarHBondContact OD1-CB 3.2Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.32Å; N146-Y148 PolarHBondContact OD1-N 3.21Å; N146-Y148 VanDerWaalsContact OD1-N 3.08Å; N146-H187 PolarHBondContact ND2-CE1 2.97Å; N146-H187 PolarHBondContact ND2-ND1 3.4Å |
| 147 | H | 93.1 | Very high | 97.2 | Very high | 149 Ų | 149 | 51.1 Ų | 51.1 | 69% | 0.69 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 67.6 | 8.7 | -179.8 | -50.4 | 79.6 | 0 | 0 | 0 | 115.6 | E144 E145 | E144-H147 PolarHBondContact O-N 2.82Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 2.8Å |
| 148 | Y | 98.1 | Very high | 97.2 | Very high | 47 Ų | 47 | 54 Ų | 54 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | trans | -88.9 | 157.4 | 167 | -71.5 | -107.2 | 0 | 0 | 0 | 110 | R72 E144 N146 H187 L189 | R72-Y148 HydrophobicContact CB-CD1 4.13Å; R72-Y148 HydrophobicContact CB-CE1 3.69Å; R72-Y148 HydrophobicContact CG-CE1 3.98Å; E144-Y148 VanDerWaalsContact CB-O 3.26Å; E144-Y148 WeakPolarHBondContact CB-O 3.38Å; E144-Y148 WeakPolarHBondContact CG-O 3.45Å; E144-Y148 PolarHBondContact N-O 3.41Å; N146-Y148 WeakPolarHBondContact O-CD2 3.42Å; N146-Y148 PolarHBondContact O-N 2.87Å; N146-Y148 VanDerWaalsContact OD1-CB 3.31Å; N146-Y148 WeakPolarHBondContact OD1-CB 3.2Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.32Å; N146-Y148 PolarHBondContact OD1-N 3.21Å; N146-Y148 VanDerWaalsContact OD1-N 3.08Å; Y148-H187 HydrophobicContact CD1-CB 3.84Å; Y148-H187 HydrophobicContact CG-CB 3.89Å; Y148-L189 HydrophobicContact CD1-CB 4.03Å; Y148-L189 HydrophobicContact CE1-CB 3.92Å | ||
| 149 | N | 98.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 148.4 | 171.8 | -62.6 | 9 | 0 | 0 | 0 | 110.5 | E141 L142 Y151 F188 | E141-N149 HydrophobicContact CG-CB 4.48Å; E141-N149 PolarHBondContact OE1-ND2 2.74Å; L142-N149 CarbonylContact O-C 3.41Å; L142-N149 WeakPolarHBondContact O-CA 3.38Å; N149-Y151 HydrophobicContact CB-CE2 3.9Å; N149-F188 PolarHBondContact N-O 2.92Å; N149-F188 PolarHBondContact O-N 3.23Å |
| 150 | T | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 154.1 | 162 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | E141 L142 E144 K181 | E141-T150 WeakPolarHBondContact CA-O 3.35Å; L142-T150 PolarHBondContact N-O 2.83Å; L142-T150 VanDerWaalsContact N-O 3.11Å; L142-T150 PolarHBondContact O-N 3.22Å; E144-T150 HydrophobicContact CG-CG2 3.72Å; E144-T150 WeakPolarHBondContact OE1-CB 3.48Å; E144-T150 WeakPolarHBondContact OE1-CG2 3.4Å; E144-T150 PolarHBondContact OE1-OG1 2.83Å; T150-K181 HydrophobicContact CG2-CG 4.36Å |
| 151 | Y | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 101.1 | 178.5 | -59.7 | -87.1 | 0 | 0 | 0 | 108.9 | L69 V108 I110 F139 I140 E141 N149 F164 V165 F188 | L69-Y151 HydrophobicContact CD1-CE2 4.21Å; L69-Y151 HydrophobicContact CD2-CE2 4.04Å; L69-Y151 WeakPolarHBondContact CD2-OH 3.39Å; V108-Y151 HydrophobicContact CG2-CD1 3.95Å; V108-Y151 HydrophobicContact CG2-CE1 3.98Å; I110-Y151 HydrophobicContact CD1-CD1 3.87Å; I110-Y151 HydrophobicContact CD1-CE1 4.04Å; I110-Y151 HydrophobicContact CD1-CG 4.29Å; F139-Y151 HydrophobicContact CB-CD1 4.44Å; I140-Y151 VanDerWaalsContact O-CA 3.32Å; I140-Y151 WeakPolarHBondContact O-CA 3.25Å; E141-Y151 HydrophobicContact CB-CD1 4.04Å; E141-Y151 HydrophobicContact CB-CE1 3.88Å; E141-Y151 HydrophobicContact CG-CD1 4.22Å; E141-Y151 HydrophobicContact CG-CE1 3.63Å; E141-Y151 PolarHBondContact OE1-OH 2.9Å; E141-Y151 VanDerWaalsContact OE1-OH 3.1Å; N149-Y151 HydrophobicContact CB-CE2 3.9Å; Y151-F164 WeakPolarHBondContact O-CA 3.3Å; Y151-V165 WeakPolarHBondContact O-CG2 3.07Å; Y151-V165 PolarHBondContact O-N 3.02Å; Y151-F188 HydrophobicContact CD2-CB 4.5Å; Y151-F188 HydrophobicContact CD2-CD2 4.24Å; Y151-F188 HydrophobicContact CE2-CB 3.98Å; Y151-F188 HydrophobicContact CE2-CG 4.49Å |
| 152 | A | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 2% | 0.017 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 145 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F139 I140 A154 E162 M163 F164 | F139-A152 CarbonylContact C-O 3.52Å; F139-A152 WeakPolarHBondContact CA-O 3.11Å; I140-A152 HydrophobicContact CB-CB 4.48Å; I140-A152 PolarHBondContact N-O 2.73Å; I140-A152 PolarHBondContact O-N 3.45Å; A152-A154 PolarHBondContact O-N 2.83Å; A152-E162 HydrophobicContact CB-CB 4.2Å; A152-M163 CarbonylContact C-O 3.6Å; A152-M163 WeakPolarHBondContact CA-O 3.27Å; A152-F164 HydrophobicContact CB-CD1 3.95Å; A152-F164 HydrophobicContact CB-CE1 3.8Å; A152-F164 HydrophobicContact CB-CZ 4.35Å |
| 153 | S | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 68.5 Ų | 68.5 | 3% | 0.028 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 124.5 | 171 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | K155 W156 M163 | S153-K155 VanDerWaalsContact C-N 3.25Å; S153-K155 PolarHBondContact O-N 3.48Å; S153-W156 PolarHBondContact OG-N 2.83Å; S153-W156 VanDerWaalsContact OG-N 3.08Å; S153-M163 PolarHBondContact N-O 2.74Å |
| 154 | A | 98.3 | Very high | 97 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -27.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V107 N138 I140 A152 | V107-A154 HydrophobicContact CG1-CB 4.47Å; N138-A154 HydrophobicContact CB-CB 3.84Å; N138-A154 VanDerWaalsContact O-CB 3.31Å; N138-A154 WeakPolarHBondContact O-CB 3.5Å; N138-A154 PolarHBondContact O-N 3.49Å; I140-A154 HydrophobicContact CD1-CB 4.43Å; I140-A154 HydrophobicContact CG1-CB 3.95Å; A152-A154 PolarHBondContact O-N 2.83Å |
| 155 | K | 97.9 | Very high | 97.2 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -42.6 | -177.2 | -178.4 | 171.6 | -175.2 | 170.4 | 0 | 113.6 | E135 S153 | E135-K155 HydrophobicContact CB-CD 3.67Å; E135-K155 WeakPolarHBondContact OE2-CD 3.23Å; E135-K155 WeakPolarHBondContact OE2-CE 3.44Å; E135-K155 IonicContact OE2-NZ 3.47Å; E135-K155 PolarHBondContact OE2-NZ 2.83Å; S153-K155 VanDerWaalsContact C-N 3.25Å; S153-K155 PolarHBondContact O-N 3.48Å |
| 156 | W | 98.5 | Very high | 97.6 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 20% | 0.197 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.2 | -164.1 | -56.1 | 114.9 | 0 | 0 | 0 | 112.8 | M121 K123 D136 S153 M163 | M121-W156 PolarHBondContact O-NE1 3.22Å; K123-W156 HydrophobicContact CB-CD2 3.9Å; K123-W156 HydrophobicContact CB-CE3 3.74Å; K123-W156 HydrophobicContact CB-CH2 3.88Å; K123-W156 HydrophobicContact CB-CZ2 4.02Å; K123-W156 HydrophobicContact CB-CZ3 3.75Å; K123-W156 HydrophobicContact CD-CE3 4.32Å; K123-W156 HydrophobicContact CD-CH2 4.17Å; K123-W156 HydrophobicContact CD-CZ3 3.75Å; K123-W156 HydrophobicContact CG-CD2 4.37Å; K123-W156 HydrophobicContact CG-CE3 3.73Å; K123-W156 HydrophobicContact CG-CH2 4.24Å; K123-W156 HydrophobicContact CG-CZ3 3.68Å; D136-W156 PolarHBondContact OD1-NE1 3.37Å; S153-W156 PolarHBondContact OG-N 2.83Å; S153-W156 VanDerWaalsContact OG-N 3.08Å; W156-M163 HydrophobicContact CB-CE 3.26Å; W156-M163 HydrophobicContact CG-CE 4.42Å; W156-M163 WeakPolarHBondContact O-CE 3.44Å |
| 157 | T | 98.3 | Very high | 98.1 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 52% | 0.521 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 164.3 | 170.9 | 63.9 | 0 | 0 | 0 | 0 | 111 | K161 | T157-K161 CarbonylContact C-O 3.49Å; T157-K161 VanDerWaalsContact CA-O 3.28Å; T157-K161 WeakPolarHBondContact CA-O 3.36Å; T157-K161 VanDerWaalsContact CB-O 3.29Å; T157-K161 WeakPolarHBondContact CB-O 3.37Å |
| 158 | H | 97.7 | Very high | 98.3 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 112.8 | 172.2 | -175.7 | 54.3 | 0 | 0 | 0 | 110.5 | G160 K161 M163 K177 | H158-G160 VanDerWaalsContact C-N 3.27Å; H158-G160 PolarHBondContact O-N 3.12Å; H158-K161 PolarHBondContact N-O 3.18Å; H158-K161 WeakPolarHBondContact O-CB 3.49Å; H158-K161 PolarHBondContact O-N 3.01Å; H158-M163 HydrophobicContact CB-CG 4.21Å; H158-M163 HydrophobicContact CB-SD 4.04Å; H158-K177 HydrophobicContact CB-CB 4.35Å; H158-K177 HydrophobicContact CB-CG 3.98Å |
| 159 | K | 96.8 | Very high | 98.3 | Very high | 182 Ų | 182 | 48 Ų | 48 | 79% | 0.791 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 45.4 | -177.4 | -56.1 | -179.7 | 177.3 | -171.8 | 0 | 111.8 | K161 | K159-K161 PolarHBondContact O-N 3.37Š|
| 160 | G | 96.3 | Very high | 98.3 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 75% | 0.753 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | H158 | H158-G160 VanDerWaalsContact C-N 3.27Å; H158-G160 PolarHBondContact O-N 3.12Å |
| 161 | K | 97.9 | Very high | 98.3 | Very high | 150 Ų | 150 | 54.4 Ų | 54.4 | 65% | 0.652 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 140.5 | 179.5 | -58.1 | -175.1 | 180 | -174.6 | 0 | 111.6 | T157 H158 K159 | T157-K161 CarbonylContact C-O 3.49Å; T157-K161 VanDerWaalsContact CA-O 3.28Å; T157-K161 WeakPolarHBondContact CA-O 3.36Å; T157-K161 VanDerWaalsContact CB-O 3.29Å; T157-K161 WeakPolarHBondContact CB-O 3.37Å; H158-K161 PolarHBondContact N-O 3.18Å; H158-K161 WeakPolarHBondContact O-CB 3.49Å; H158-K161 PolarHBondContact O-N 3.01Å; K159-K161 PolarHBondContact O-N 3.37Å |
| 162 | E | 98.4 | Very high | 98.3 | Very high | 80 Ų | 80 | 57.2 Ų | 57.2 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 151.8 | 173.7 | -64.2 | 175.9 | 117.8 | 0 | 0 | 111.8 | A152 F164 | A152-E162 HydrophobicContact CB-CB 4.2Å; E162-F164 HydrophobicContact CB-CD2 4.47Å; E162-F164 HydrophobicContact CB-CE2 3.64Å; E162-F164 HydrophobicContact CB-CZ 3.68Å; E162-F164 WeakPolarHBondContact OE2-CZ 3.42Å |
| 163 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.6 | 175.3 | -68 | -163 | -67.4 | 0 | 0 | 109.6 | M121 A152 S153 W156 H158 G176 K177 | M121-M163 HydrophobicContact CE-CB 4.4Å; M121-M163 HydrophobicContact SD-CB 3.62Å; M121-M163 HydrophobicContact SD-CE 4.16Å; A152-M163 CarbonylContact C-O 3.6Å; A152-M163 WeakPolarHBondContact CA-O 3.27Å; S153-M163 PolarHBondContact N-O 2.74Å; W156-M163 HydrophobicContact CB-CE 3.26Å; W156-M163 HydrophobicContact CG-CE 4.42Å; W156-M163 WeakPolarHBondContact O-CE 3.44Å; H158-M163 HydrophobicContact CB-CG 4.21Å; H158-M163 HydrophobicContact CB-SD 4.04Å; M163-G176 VanDerWaalsContact CG-C 3.5Å; M163-K177 HydrophobicContact SD-CG 3.95Å; M163-K177 PolarHBondContact SD-N 3.19Å |
| 164 | F | 98.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 146.2 | -169.6 | -62.6 | -91.8 | 0 | 0 | 0 | 112.1 | M121 Y151 A152 E162 T166 T179 K181 | M121-F164 WeakPolarHBondContact CE-O 3.31Å; Y151-F164 WeakPolarHBondContact O-CA 3.3Å; A152-F164 HydrophobicContact CB-CD1 3.95Å; A152-F164 HydrophobicContact CB-CE1 3.8Å; A152-F164 HydrophobicContact CB-CZ 4.35Å; E162-F164 HydrophobicContact CB-CD2 4.47Å; E162-F164 HydrophobicContact CB-CE2 3.64Å; E162-F164 HydrophobicContact CB-CZ 3.68Å; E162-F164 WeakPolarHBondContact OE2-CZ 3.42Å; F164-T166 HydrophobicContact CB-CG2 4.29Å; F164-T166 PolarHBondContact O-N 3.35Å; F164-T179 PolarHBondContact N-OG1 2.62Å; F164-K181 HydrophobicContact CE1-CB 4.06Å; F164-K181 HydrophobicContact CE1-CG 4.17Å; F164-K181 HydrophobicContact CE2-CB 4.08Å; F164-K181 HydrophobicContact CZ-CB 3.6Å; F164-K181 HydrophobicContact CZ-CG 4.13Å |
| 165 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -60.7 | 132.5 | 161 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | M77 L119 L127 F139 Y151 F188 | M77-V165 HydrophobicContact CE-CG1 3.29Å; M77-V165 HydrophobicContact SD-CG1 4.05Å; L119-V165 HydrophobicContact CD2-CG1 4.02Å; L119-V165 HydrophobicContact CD2-CG2 3.94Å; L127-V165 HydrophobicContact CD1-CB 4.45Å; L127-V165 HydrophobicContact CD1-CG1 4.02Å; L127-V165 HydrophobicContact CD2-CG2 4.17Å; F139-V165 HydrophobicContact CD1-CG2 3.63Å; F139-V165 HydrophobicContact CE1-CG2 3.48Å; F139-V165 VanDerWaalsContact CE1-CG2 3.48Å; F139-V165 HydrophobicContact CG-CG2 4.32Å; F139-V165 HydrophobicContact CZ-CG2 4.07Å; Y151-V165 WeakPolarHBondContact O-CG2 3.07Å; Y151-V165 PolarHBondContact O-N 3.02Å; V165-F188 HydrophobicContact CG1-CE2 4.06Å; V165-F188 HydrophobicContact CG1-CZ 4.04Å; V165-F188 WeakPolarHBondContact O-CE2 3.45Å | ||
| 166 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -146.5 | 155 | -177.7 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | F164 P173 M174 T179 A185 S186 | F164-T166 HydrophobicContact CB-CG2 4.29Å; F164-T166 PolarHBondContact O-N 3.35Å; T166-P173 WeakPolarHBondContact O-CA 3.29Å; T166-M174 WeakPolarHBondContact OG1-CB 3.43Å; T166-M174 PolarHBondContact OG1-N 2.97Å; T166-T179 HydrophobicContact CG2-CG2 3.42Å; T166-T179 VanDerWaalsContact CG2-CG2 3.42Å; T166-A185 CarbonylContact C-O 3.58Å; T166-A185 WeakPolarHBondContact CA-O 3.47Å; T166-A185 WeakPolarHBondContact CB-O 3.15Å; T166-A185 HydrophobicContact CG2-CB 4.36Å; T166-S186 VanDerWaalsContact CG2-OG 3.3Å; T166-S186 WeakPolarHBondContact CG2-OG 3.47Å | ||
| 167 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -131.5 | 121.1 | 160.6 | -66.4 | 176.2 | 0 | 0 | 0 | 109.5 | C71 T73 W75 M77 P173 A185 F188 | C71-L167 HydrophobicContact CB-CB 4.19Å; C71-L167 HydrophobicContact CB-CD1 4.15Å; T73-L167 WeakPolarHBondContact CG2-O 3.43Å; T73-L167 PolarHBondContact OG1-O 3.06Å; W75-L167 HydrophobicContact CB-CD1 3.94Å; M77-L167 HydrophobicContact CB-CD1 4.14Å; M77-L167 HydrophobicContact CE-CD1 4.3Å; M77-L167 HydrophobicContact CE-CD2 4.37Å; M77-L167 HydrophobicContact CE-CG 4.07Å; L167-P173 HydrophobicContact CD2-CG 4.02Å; L167-A185 PolarHBondContact N-O 2.84Å; L167-A185 WeakPolarHBondContact O-CA 3.32Å; L167-A185 VanDerWaalsContact O-CB 3.27Å; L167-A185 WeakPolarHBondContact O-CB 3.34Å; L167-F188 HydrophobicContact CD1-CE1 4.09Å; L167-F188 HydrophobicContact CG-CE1 4.25Å; L167-F188 HydrophobicContact CG-CZ 4.22Å | ||
| 168 | N | 98.5 | Very high | 98.1 | Very high | 35 Ų | 35 | 66.4 Ų | 66.4 | 19% | 0.187 | 33% | 0.325 | C | S | . | . | trans | -72.2 | 179 | 176.5 | 72.1 | 15.9 | 0 | 0 | 0 | 112 | K170 G171 V172 M174 | N168-K170 PolarHBondContact O-N 3.49Å; N168-K170 WeakPolarHBondContact OD1-CA 3.38Å; N168-K170 WeakPolarHBondContact OD1-CB 3.37Å; N168-K170 PolarHBondContact OD1-N 3Å; N168-G171 PolarHBondContact O-N 2.83Å; N168-G171 PolarHBondContact OD1-N 2.76Å; N168-V172 PolarHBondContact N-O 3.28Å; N168-V172 PolarHBondContact ND2-O 3.5Å; N168-V172 PolarHBondContact OD1-N 2.97Å; N168-V172 PolarHBondContact OD1-O 3.49Å; N168-M174 HydrophobicContact CB-CG 4Å; N168-M174 HydrophobicContact CB-SD 4.12Å | ||
| 169 | H | 98.1 | Very high | 98.1 | Very high | 134 Ų | 134 | 64.1 Ų | 64.1 | 62% | 0.62 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -21.3 | 179.6 | 62.7 | -90.3 | 0 | 0 | 0 | 114.4 | W75 | W75-H169 PolarHBondContact NE1-O 2.9Š|
| 170 | K | 98.3 | Very high | 98.2 | Very high | 145 Ų | 145 | 60.9 Ų | 60.9 | 63% | 0.63 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.7 | 175.9 | -50.6 | -170.7 | -179.8 | -176.5 | 0 | 113.1 | N168 V172 | N168-K170 PolarHBondContact O-N 3.49Å; N168-K170 WeakPolarHBondContact OD1-CA 3.38Å; N168-K170 WeakPolarHBondContact OD1-CB 3.37Å; N168-K170 PolarHBondContact OD1-N 3Å; K170-V172 VanDerWaalsContact C-N 3.27Å; K170-V172 HydrophobicContact CB-CG2 4.3Å; K170-V172 PolarHBondContact O-N 2.84Å |
| 171 | G | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 69.6 | 23.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G87 N168 | G87-G171 PolarHBondContact N-O 2.98Å; N168-G171 PolarHBondContact O-N 2.83Å; N168-G171 PolarHBondContact OD1-N 2.76Å |
| 172 | V | 98.6 | Very high | 98.2 | Very high | 59 Ų | 59 | 60.1 Ų | 60.1 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | trans | -106.9 | 133.6 | -179.3 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | N168 K170 | N168-V172 PolarHBondContact N-O 3.28Å; N168-V172 PolarHBondContact ND2-O 3.5Å; N168-V172 PolarHBondContact OD1-N 2.97Å; N168-V172 PolarHBondContact OD1-O 3.49Å; K170-V172 VanDerWaalsContact C-N 3.27Å; K170-V172 HydrophobicContact CB-CG2 4.3Å; K170-V172 PolarHBondContact O-N 2.84Å | ||
| 173 | P | 98.4 | Very high | 98.2 | Very high | 32 Ų | 32 | 59.2 Ų | 59.2 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 137.1 | 174.4 | -22.5 | 32.7 | 0 | 0 | 0 | 112.5 | V85 L127 T166 L167 | V85-P173 HydrophobicContact CB-CG 4.24Å; V85-P173 HydrophobicContact CG1-CG 4.09Å; V85-P173 WeakPolarHBondContact O-CD 3.29Å; V85-P173 WeakPolarHBondContact O-CG 3.12Å; L127-P173 HydrophobicContact CB-CB 4.23Å; L127-P173 HydrophobicContact CD1-CB 3.94Å; T166-P173 WeakPolarHBondContact O-CA 3.29Å; L167-P173 HydrophobicContact CD2-CG 4.02Å |
| 174 | M | 98.3 | Very high | 98.1 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 157.1 | 172.6 | -55.4 | 171.8 | 56.8 | 0 | 0 | 110 | T166 N168 G176 T179 A185 | T166-M174 WeakPolarHBondContact OG1-CB 3.43Å; T166-M174 PolarHBondContact OG1-N 2.97Å; N168-M174 HydrophobicContact CB-CG 4Å; N168-M174 HydrophobicContact CB-SD 4.12Å; M174-G176 PolarHBondContact O-N 2.85Å; M174-T179 HydrophobicContact CB-CG2 4.11Å; M174-A185 HydrophobicContact SD-CB 4Å |
| 175 | K | 98 | Very high | 98.1 | Very high | 136 Ų | 136 | 65.8 Ų | 65.8 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 128.6 | 167.8 | -68.4 | -173.4 | 179.8 | -178 | 0 | 108.7 | G125 K177 K178 | G125-K175 CarbonylContact O-C 3.55Å; G125-K175 WeakPolarHBondContact O-CA 3.21Å; K175-K177 PolarHBondContact O-N 3.24Å; K175-K178 WeakPolarHBondContact O-CA 3.48Å; K175-K178 WeakPolarHBondContact O-CB 3.23Å; K175-K178 PolarHBondContact O-N 2.94Å |
| 176 | G | 97.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -47.8 | -36.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G125 M163 M174 K178 T179 | G125-G176 PolarHBondContact O-N 3.27Å; M163-G176 VanDerWaalsContact CG-C 3.5Å; M174-G176 PolarHBondContact O-N 2.85Å; G176-K178 PolarHBondContact O-N 2.99Å; G176-T179 PolarHBondContact O-N 2.82Å; G176-T179 PolarHBondContact O-OG1 2.98Å |
| 177 | K | 97.1 | Very high | 98.1 | Very high | 101 Ų | 101 | 66.2 Ų | 66.2 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -58.2 | -17.3 | 175 | -57.7 | -174.2 | 178.3 | -179.1 | 0 | 114.7 | S124 H158 M163 K175 | S124-K177 WeakPolarHBondContact O-CE 3.49Å; H158-K177 HydrophobicContact CB-CB 4.35Å; H158-K177 HydrophobicContact CB-CG 3.98Å; M163-K177 HydrophobicContact SD-CG 3.95Å; M163-K177 PolarHBondContact SD-N 3.19Å; K175-K177 PolarHBondContact O-N 3.24Å |
| 178 | K | 97.8 | Very high | 98.1 | Very high | 150 Ų | 150 | 66.2 Ų | 66.2 | 65% | 0.652 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -109.1 | 2.1 | 179.7 | -58.2 | -172.4 | 176.2 | -169.6 | 0 | 113 | K175 G176 H183 | K175-K178 WeakPolarHBondContact O-CA 3.48Å; K175-K178 WeakPolarHBondContact O-CB 3.23Å; K175-K178 PolarHBondContact O-N 2.94Å; G176-K178 PolarHBondContact O-N 2.99Å; K178-H183 PolarHBondContact O-CE1 3.31Å |
| 179 | T | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | trans | -92.6 | 155.1 | -177 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | F164 T166 M174 G176 | F164-T179 PolarHBondContact N-OG1 2.62Å; T166-T179 HydrophobicContact CG2-CG2 3.42Å; T166-T179 VanDerWaalsContact CG2-CG2 3.42Å; M174-T179 HydrophobicContact CB-CG2 4.11Å; G176-T179 PolarHBondContact O-N 2.82Å; G176-T179 PolarHBondContact O-OG1 2.98Å | ||
| 180 | K | 98 | Very high | 98.1 | Very high | 114 Ų | 114 | 62.2 Ų | 62.2 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | trans | -142.4 | 159.1 | 171.8 | -55.9 | -176.1 | -176.6 | 176.8 | 0 | 109 | E182 H183 S186 | K180-E182 VanDerWaalsContact C-N 3.27Å; K180-E182 VanDerWaalsContact CB-OE2 3.29Å; K180-E182 WeakPolarHBondContact CB-OE2 3.17Å; K180-E182 PolarHBondContact O-N 3Å; K180-H183 PolarHBondContact N-ND1 3.47Å; K180-H183 PolarHBondContact O-N 3.2Å; K180-S186 PolarHBondContact O-OG 2.77Å | ||
| 181 | K | 97.7 | Very high | 98 | Very high | 71 Ų | 71 | 58 Ų | 58 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -37.6 | 179.9 | -170.4 | 178 | 176.1 | -173.7 | 0 | 112.1 | E144 T150 F164 H183 H187 | E144-K181 WeakPolarHBondContact OE1-CE 3.36Å; E144-K181 IonicContact OE1-NZ 2.66Å; E144-K181 WeakPolarHBondContact OE2-CE 3.37Å; E144-K181 IonicContact OE2-NZ 3.72Å; E144-K181 PolarHBondContact OE2-NZ 3.43Å; T150-K181 HydrophobicContact CG2-CG 4.36Å; F164-K181 HydrophobicContact CE1-CB 4.06Å; F164-K181 HydrophobicContact CE1-CG 4.17Å; F164-K181 HydrophobicContact CE2-CB 4.08Å; F164-K181 HydrophobicContact CZ-CB 3.6Å; F164-K181 HydrophobicContact CZ-CG 4.13Å; K181-H183 VanDerWaalsContact C-N 3.3Å; K181-H183 PolarHBondContact O-N 3.11Å; K181-H187 PolarHBondContact O-NE2 3.21Å |
| 182 | E | 97 | Very high | 97.8 | Very high | 136 Ų | 136 | 61.5 Ų | 61.5 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -14.4 | -174.1 | -49.8 | 72.5 | -151.3 | 0 | 0 | 112.8 | K180 K184 | K180-E182 VanDerWaalsContact C-N 3.27Å; K180-E182 VanDerWaalsContact CB-OE2 3.29Å; K180-E182 WeakPolarHBondContact CB-OE2 3.17Å; K180-E182 PolarHBondContact O-N 3Å; E182-K184 PolarHBondContact O-N 3.27Å |
| 183 | H | 97.8 | Very high | 97.5 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | trans | -66.3 | 128.5 | 179.7 | -68.2 | 177.9 | 0 | 0 | 0 | 110.1 | K178 K180 K181 A185 S186 | K178-H183 PolarHBondContact O-CE1 3.31Å; K180-H183 PolarHBondContact N-ND1 3.47Å; K180-H183 PolarHBondContact O-N 3.2Å; K181-H183 VanDerWaalsContact C-N 3.3Å; K181-H183 PolarHBondContact O-N 3.11Å; H183-A185 PolarHBondContact O-N 3.36Å; H183-S186 WeakPolarHBondContact O-CB 3.47Å; H183-S186 PolarHBondContact O-N 3.23Å | ||
| 184 | K | 97.9 | Very high | 96.1 | Very high | 133 Ų | 133 | 68.5 Ų | 68.5 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -51.9 | -31.3 | 171.8 | -65.8 | -176.3 | 178.7 | 179 | 0 | 112.7 | R72 E182 S186 H187 | R72-K184 WeakPolarHBondContact CB-O 3.26Å; R72-K184 HydrophobicContact CG-CB 4.46Å; E182-K184 PolarHBondContact O-N 3.27Å; K184-S186 PolarHBondContact O-N 2.79Å; K184-H187 PolarHBondContact O-N 2.87Å |
| 185 | A | 98.5 | Very high | 96 | Very high | 11 Ų | 11 | 69.5 Ų | 69.5 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -62.8 | -20 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | C71 T73 T166 L167 M174 H183 | C71-A185 PolarHBondContact SG-O 3.2Å; C71-A185 VanDerWaalsContact SG-O 3.41Å; T73-A185 HydrophobicContact CG2-CB 4.19Å; T166-A185 CarbonylContact C-O 3.58Å; T166-A185 WeakPolarHBondContact CA-O 3.47Å; T166-A185 WeakPolarHBondContact CB-O 3.15Å; T166-A185 HydrophobicContact CG2-CB 4.36Å; L167-A185 PolarHBondContact N-O 2.84Å; L167-A185 WeakPolarHBondContact O-CA 3.32Å; L167-A185 VanDerWaalsContact O-CB 3.27Å; L167-A185 WeakPolarHBondContact O-CB 3.34Å; M174-A185 HydrophobicContact SD-CB 4Å; H183-A185 PolarHBondContact O-N 3.36Å |
| 186 | S | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -92 | -6.8 | 179.4 | -49.4 | 0 | 0 | 0 | 0 | 113.3 | T166 K180 H183 K184 F188 | T166-S186 VanDerWaalsContact CG2-OG 3.3Å; T166-S186 WeakPolarHBondContact CG2-OG 3.47Å; K180-S186 PolarHBondContact O-OG 2.77Å; H183-S186 WeakPolarHBondContact O-CB 3.47Å; H183-S186 PolarHBondContact O-N 3.23Å; K184-S186 PolarHBondContact O-N 2.79Å; S186-F188 WeakPolarHBondContact O-CD2 3.35Å |
| 187 | H | 98.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 69.6 Ų | 69.6 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | trans | -96.8 | 124.6 | -173.1 | -63.2 | 172.8 | 0 | 0 | 0 | 110.2 | C71 R72 N146 Y148 K181 K184 | C71-H187 CarbonylContact C-O 3.53Å; C71-H187 WeakPolarHBondContact CA-O 3.48Å; R72-H187 HydrophobicContact CB-CB 3.89Å; R72-H187 PolarHBondContact N-O 3.05Å; R72-H187 PolarHBondContact NH1-ND1 3.29Å; R72-H187 VanDerWaalsContact NH1-ND1 3.15Å; N146-H187 PolarHBondContact ND2-CE1 2.97Å; N146-H187 PolarHBondContact ND2-ND1 3.4Å; Y148-H187 HydrophobicContact CD1-CB 3.84Å; Y148-H187 HydrophobicContact CG-CB 3.89Å; K181-H187 PolarHBondContact O-NE2 3.21Å; K184-H187 PolarHBondContact O-N 2.87Å | ||
| 188 | F | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.9 | -179.8 | -66.8 | -96.3 | 0 | 0 | 0 | 111.1 | L69 F70 C71 M77 N149 Y151 V165 L167 S186 | L69-F188 HydrophobicContact CB-CB 4.44Å; L69-F188 HydrophobicContact CB-CD1 3.96Å; L69-F188 HydrophobicContact CD2-CB 4.39Å; F70-F188 CarbonylContact O-C 3.46Å; F70-F188 WeakPolarHBondContact O-CA 3.29Å; C71-F188 HydrophobicContact CB-CD1 3.74Å; C71-F188 HydrophobicContact CB-CE1 3.48Å; C71-F188 VanDerWaalsContact CB-CE1 3.48Å; C71-F188 HydrophobicContact CB-CZ 4.08Å; M77-F188 HydrophobicContact CB-CE1 4.28Å; M77-F188 HydrophobicContact CE-CE1 3.76Å; M77-F188 HydrophobicContact CE-CZ 3.72Å; N149-F188 PolarHBondContact N-O 2.92Å; N149-F188 PolarHBondContact O-N 3.23Å; Y151-F188 HydrophobicContact CD2-CB 4.5Å; Y151-F188 HydrophobicContact CD2-CD2 4.24Å; Y151-F188 HydrophobicContact CE2-CB 3.98Å; Y151-F188 HydrophobicContact CE2-CG 4.49Å; V165-F188 HydrophobicContact CG1-CE2 4.06Å; V165-F188 HydrophobicContact CG1-CZ 4.04Å; V165-F188 WeakPolarHBondContact O-CE2 3.45Å; L167-F188 HydrophobicContact CD1-CE1 4.09Å; L167-F188 HydrophobicContact CG-CE1 4.25Å; L167-F188 HydrophobicContact CG-CZ 4.22Å; S186-F188 WeakPolarHBondContact O-CD2 3.35Å |
| 189 | L | 98.2 | Very high | 95.6 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 30% | 0.304 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.5 | 173 | -176.4 | 62.2 | 0 | 0 | 0 | 108.8 | F70 Y148 L191 | F70-L189 PolarHBondContact N-O 3.49Å; F70-L189 PolarHBondContact O-N 3.04Å; Y148-L189 HydrophobicContact CD1-CB 4.03Å; Y148-L189 HydrophobicContact CE1-CB 3.92Å; L189-L191 HydrophobicContact CD2-CD2 3.74Å; L189-L191 HydrophobicContact CG-CD2 3.88Å; L189-L191 HydrophobicContact CG-CG 4.4Å; L189-L191 PolarHBondContact O-N 3.04Å |
| 190 | P | 97.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 66.1 Ų | 66.1 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 114.1 | 172.7 | -13 | 28.6 | 0 | 0 | 0 | 110.3 | R67 R68 L69 | R67-P190 HydrophobicContact CB-CB 4.42Å; R67-P190 HydrophobicContact CG-CB 4.26Å; R68-P190 WeakPolarHBondContact O-CA 3.41Å; L69-P190 HydrophobicContact CD2-CB 4.14Å; L69-P190 HydrophobicContact CD2-CG 4.12Å |
| 191 | L | 97 | Very high | 95.2 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 29% | 0.293 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.4 | 178.9 | -62.5 | 175.7 | 0 | 0 | 0 | 110.5 | R67 R68 F70 Y76 L189 | R67-L191 CarbonylContact C-O 3.57Å; R67-L191 WeakPolarHBondContact CA-O 3.45Å; R67-L191 WeakPolarHBondContact CB-O 3.37Å; R67-L191 VanDerWaalsContact CD-O 3.29Å; R67-L191 WeakPolarHBondContact CD-O 2.96Å; R68-L191 PolarHBondContact N-O 3.43Å; R68-L191 PolarHBondContact O-N 3.17Å; F70-L191 HydrophobicContact CB-CD1 3.68Å; F70-L191 HydrophobicContact CB-CG 4.27Å; F70-L191 HydrophobicContact CG-CD1 4.24Å; Y76-L191 HydrophobicContact CE1-CD1 3.98Å; L189-L191 HydrophobicContact CD2-CD2 3.74Å; L189-L191 HydrophobicContact CG-CD2 3.88Å; L189-L191 HydrophobicContact CG-CG 4.4Å; L189-L191 PolarHBondContact O-N 3.04Å |
| 192 | A | 94.5 | Very high | 95.1 | Very high | 76 Ų | 76 | 62 Ų | 62 | 63% | 0.628 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 151.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 193 | I | 91 | Very high | 94.9 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 33% | 0.328 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 117.5 | 169.1 | -48.5 | -55.9 | 0 | 0 | 0 | 106.9 | V66 R68 I97 | V66-I193 HydrophobicContact CG1-CG1 3.84Å; R68-I193 HydrophobicContact CG-CD1 3.64Å; I97-I193 HydrophobicContact CG1-CD1 4.33Å; I97-I193 HydrophobicContact CG2-CD1 4.16Å; I97-I193 HydrophobicContact CG2-CG1 4.32Å |
| 194 | S | 70.3 | Confident | 94.6 | Very high | 174 Ų | 174 | 55.4 Ų | 55.4 | 100% | 1.217 | 33% | 0.333 | S | S | * | . | trans | -92.5 | 0 | 168.2 | 62.1 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 194 of 194 residues in 43.7 ms
(Link to these results)