| 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 | 52.9 | Low | 64.4 | Low | 247 Ų | 247 | 126.6 Ų | 126.6 | 100% | 1.217 | 63% | 0.629 | S | S | * | * | 0 | 100.4 | 0 | -71.3 | 154.2 | 119.2 | 0 | 0 | 107.7 | |||||
| 2 | S | 58 | Low | 64.5 | Low | 86 Ų | 86 | 124.1 Ų | 124.1 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | trans | -83.9 | 126.4 | -169.8 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | Y4 M5 | S2-Y4 PolarHBondContact O-N 2.92Å; S2-M5 PolarHBondContact O-N 3.39Å | ||
| 3 | K | 65.4 | Low | 64.5 | Low | 170 Ų | 170 | 124.6 Ų | 124.6 | 74% | 0.739 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -51.2 | -21.8 | 178.9 | -60 | 178.6 | 77.8 | 166.2 | 0 | 112.7 | M5 Q6 F7 | K3-M5 PolarHBondContact O-N 2.9Å; K3-Q6 PolarHBondContact O-N 2.99Å; K3-F7 PolarHBondContact O-N 3.36Å |
| 4 | Y | 68.3 | Low | 64.5 | Low | 172 Ų | 172 | 122.6 Ų | 122.6 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.2 | -39.5 | 175.6 | -154 | -105.8 | 0 | 0 | 0 | 113.4 | S2 Q6 F7 I8 | S2-Y4 PolarHBondContact O-N 2.92Å; Y4-Q6 VanDerWaalsContact C-N 3.3Å; Y4-Q6 PolarHBondContact O-N 3.01Å; Y4-F7 PolarHBondContact O-N 3.39Å; Y4-I8 HydrophobicContact CD1-CD1 3.54Å; Y4-I8 HydrophobicContact CD1-CG1 4.37Å; Y4-I8 HydrophobicContact CE1-CD1 3.54Å; Y4-I8 HydrophobicContact CE1-CG1 4.29Å; Y4-I8 WeakPolarHBondContact O-CG1 3.19Å; Y4-I8 PolarHBondContact O-N 3.36Å |
| 5 | M | 61.9 | Low | 64.5 | Low | 150 Ų | 150 | 123 Ų | 123 | 74% | 0.739 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.3 | -29.8 | 178.4 | -76.5 | -168 | 155.4 | 0 | 0 | 112.7 | S2 K3 C9 | S2-M5 PolarHBondContact O-N 3.39Å; K3-M5 PolarHBondContact O-N 2.9Å; M5-C9 PolarHBondContact O-N 2.9Å |
| 6 | Q | 68 | Low | 64.2 | Low | 136 Ų | 136 | 122.8 Ų | 122.8 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.3 | -40.7 | 176.8 | -172.7 | 175.7 | -42 | 0 | 0 | 111.6 | K3 Y4 L10 | K3-Q6 PolarHBondContact O-N 2.99Å; Y4-Q6 VanDerWaalsContact C-N 3.3Å; Y4-Q6 PolarHBondContact O-N 3.01Å; Q6-L10 HydrophobicContact CG-CD1 4.04Å; Q6-L10 PolarHBondContact O-N 3.19Å; Q6-L10 VanDerWaalsContact O-N 3.16Å |
| 7 | F | 64.8 | Low | 64 | Low | 151 Ų | 151 | 123.9 Ų | 123.9 | 66% | 0.662 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.8 | -39.5 | 179 | -93.5 | -88.1 | 0 | 0 | 0 | 113 | K3 Y4 L10 S11 | K3-F7 PolarHBondContact O-N 3.36Å; Y4-F7 PolarHBondContact O-N 3.39Å; F7-L10 PolarHBondContact O-N 3.04Å; F7-S11 PolarHBondContact O-N 3.32Å; F7-S11 PolarHBondContact O-OG 3.48Å |
| 8 | I | 72.6 | Confident | 63.9 | Low | 73 Ų | 73 | 123.8 Ų | 123.8 | 37% | 0.374 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63 | -45.9 | 178.6 | -63.9 | 164.6 | 0 | 0 | 0 | 110.3 | Y4 L10 S11 L12 | Y4-I8 HydrophobicContact CD1-CD1 3.54Å; Y4-I8 HydrophobicContact CD1-CG1 4.37Å; Y4-I8 HydrophobicContact CE1-CD1 3.54Å; Y4-I8 HydrophobicContact CE1-CG1 4.29Å; Y4-I8 WeakPolarHBondContact O-CG1 3.19Å; Y4-I8 PolarHBondContact O-N 3.36Å; I8-L10 PolarHBondContact O-N 3.09Å; I8-S11 PolarHBondContact O-N 3.14Å; I8-S11 PolarHBondContact O-OG 3.22Å; I8-L12 HydrophobicContact CG2-CD1 3.98Å; I8-L12 HydrophobicContact CG2-CG 4.49Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.45Å |
| 9 | C | 64 | Low | 63.7 | Low | 69 Ų | 69 | 126.3 Ų | 126.3 | 47% | 0.466 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.6 | -49.6 | 176.2 | -75.3 | 0 | 0 | 0 | 0 | 112 | M5 S11 L12 F13 | M5-C9 PolarHBondContact O-N 2.9Å; C9-S11 VanDerWaalsContact C-N 3.3Å; C9-S11 PolarHBondContact O-N 2.79Å; C9-L12 PolarHBondContact O-N 2.9Å; C9-L12 VanDerWaalsContact O-N 3.16Å; C9-F13 WeakPolarHBondContact O-CD2 3.47Å; C9-F13 PolarHBondContact O-N 3.39Å |
| 10 | L | 68 | Low | 63.3 | Low | 94 Ų | 94 | 122.4 Ų | 122.4 | 49% | 0.492 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -58.1 | -41.2 | 178.4 | -93.8 | 143.8 | 0 | 0 | 0 | 112.4 | Q6 F7 I8 F13 I14 | Q6-L10 HydrophobicContact CG-CD1 4.04Å; Q6-L10 PolarHBondContact O-N 3.19Å; Q6-L10 VanDerWaalsContact O-N 3.16Å; F7-L10 PolarHBondContact O-N 3.04Å; I8-L10 PolarHBondContact O-N 3.09Å; L10-F13 PolarHBondContact O-N 3.12Å; L10-I14 WeakPolarHBondContact O-CD1 3.35Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.04Å |
| 11 | S | 64.4 | Low | 62.8 | Low | 45 Ų | 45 | 122.9 Ų | 122.9 | 32% | 0.315 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.3 | -43.6 | 176.2 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | F7 I8 C9 F13 I14 F15 | F7-S11 PolarHBondContact O-N 3.32Å; F7-S11 PolarHBondContact O-OG 3.48Å; I8-S11 PolarHBondContact O-N 3.14Å; I8-S11 PolarHBondContact O-OG 3.22Å; C9-S11 VanDerWaalsContact C-N 3.3Å; C9-S11 PolarHBondContact O-N 2.79Å; S11-F13 VanDerWaalsContact C-N 3.35Å; S11-F13 PolarHBondContact O-N 3.18Å; S11-I14 PolarHBondContact O-N 2.6Å; S11-I14 VanDerWaalsContact O-N 3.12Å; S11-F15 WeakPolarHBondContact O-CD2 3.02Å; S11-F15 PolarHBondContact O-N 3.32Å |
| 12 | L | 65.9 | Low | 62.8 | Low | 96 Ų | 96 | 115.8 Ų | 115.8 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.1 | -40.4 | 179.4 | -71.4 | 169 | 0 | 0 | 0 | 111.8 | I8 C9 I14 F15 I16 | I8-L12 HydrophobicContact CG2-CD1 3.98Å; I8-L12 HydrophobicContact CG2-CG 4.49Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.45Å; C9-L12 PolarHBondContact O-N 2.9Å; C9-L12 VanDerWaalsContact O-N 3.16Å; L12-I14 VanDerWaalsContact C-N 3.32Å; L12-I14 PolarHBondContact O-N 2.91Å; L12-F15 PolarHBondContact O-N 3.16Å; L12-I16 WeakPolarHBondContact O-CD1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.48Å; L12-I16 PolarHBondContact O-N 3.32Å |
| 13 | F | 64.2 | Low | 62.7 | Low | 131 Ų | 131 | 119.9 Ų | 119.9 | 58% | 0.575 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.2 | -42.1 | 173.4 | -81.7 | -74.9 | 0 | 0 | 0 | 112 | C9 L10 S11 I16 H17 | C9-F13 WeakPolarHBondContact O-CD2 3.47Å; C9-F13 PolarHBondContact O-N 3.39Å; L10-F13 PolarHBondContact O-N 3.12Å; S11-F13 VanDerWaalsContact C-N 3.35Å; S11-F13 PolarHBondContact O-N 3.18Å; F13-I16 PolarHBondContact O-N 3.37Å; F13-H17 PolarHBondContact O-CD2 3.01Å; F13-H17 PolarHBondContact O-N 2.03Å; F13-H17 VanDerWaalsContact O-N 3.14Å |
| 14 | I | 65.3 | Low | 62.2 | Low | 97 Ų | 97 | 119 Ų | 119 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.8 | -44.1 | 179.3 | -63.4 | 163.2 | 0 | 0 | 0 | 110.9 | L10 S11 L12 I16 H17 I18 | L10-I14 WeakPolarHBondContact O-CD1 3.35Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.04Å; S11-I14 PolarHBondContact O-N 2.6Å; S11-I14 VanDerWaalsContact O-N 3.12Å; L12-I14 VanDerWaalsContact C-N 3.32Å; L12-I14 PolarHBondContact O-N 2.91Å; I14-I16 PolarHBondContact O-N 2.96Å; I14-H17 PolarHBondContact O-N 3.47Å; I14-I18 HydrophobicContact CG2-CD1 4.35Å; I14-I18 HydrophobicContact CG2-CG1 3.95Å; I14-I18 WeakPolarHBondContact O-CG1 3.01Å; I14-I18 PolarHBondContact O-N 3.48Å |
| 15 | F | 63.8 | Low | 61.4 | Low | 128 Ų | 128 | 114.8 Ų | 114.8 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.4 | -41.4 | 177.5 | -73.8 | -69.6 | 0 | 0 | 0 | 112.4 | S11 L12 H17 I18 E19 | S11-F15 WeakPolarHBondContact O-CD2 3.02Å; S11-F15 PolarHBondContact O-N 3.32Å; L12-F15 PolarHBondContact O-N 3.16Å; F15-H17 VanDerWaalsContact C-N 3.26Å; F15-H17 PolarHBondContact O-N 2.95Å; F15-I18 PolarHBondContact O-N 3.15Å; F15-E19 PolarHBondContact O-N 3.43Å |
| 16 | I | 60.1 | Low | 61.2 | Low | 119 Ų | 119 | 114 Ų | 114 | 61% | 0.61 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.1 | -34.4 | 176.3 | -64.6 | 163.1 | 0 | 0 | 0 | 111.4 | L12 F13 I14 | L12-I16 WeakPolarHBondContact O-CD1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.48Å; L12-I16 PolarHBondContact O-N 3.32Å; F13-I16 PolarHBondContact O-N 3.37Å; I14-I16 PolarHBondContact O-N 2.96Å |
| 17 | H | 61.4 | Low | 60.6 | Low | 143 Ų | 143 | 118 Ų | 118 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -81.5 | -27.5 | 179.7 | -74 | -56.8 | 0 | 0 | 0 | 114.3 | F13 I14 F15 | F13-H17 PolarHBondContact O-CD2 3.01Å; F13-H17 PolarHBondContact O-N 2.03Å; F13-H17 VanDerWaalsContact O-N 3.14Å; I14-H17 PolarHBondContact O-N 3.47Å; F15-H17 VanDerWaalsContact C-N 3.26Å; F15-H17 PolarHBondContact O-N 2.95Å |
| 18 | I | 61.6 | Low | 60.5 | Low | 122 Ų | 122 | 117.7 Ų | 117.7 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.1 | -37.1 | -175.8 | -60.9 | -98 | 0 | 0 | 0 | 111.6 | I14 F15 | I14-I18 HydrophobicContact CG2-CD1 4.35Å; I14-I18 HydrophobicContact CG2-CG1 3.95Å; I14-I18 WeakPolarHBondContact O-CG1 3.01Å; I14-I18 PolarHBondContact O-N 3.48Å; F15-I18 PolarHBondContact O-N 3.15Å |
| 19 | E | 60.3 | Low | 60.9 | Low | 170 Ų | 170 | 124.6 Ų | 124.6 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -89.3 | -4.2 | -178.5 | -65.4 | -174 | 86.8 | 0 | 0 | 113.4 | F15 L21 | F15-E19 PolarHBondContact O-N 3.43Å; E19-L21 VanDerWaalsContact C-N 3.27Å; E19-L21 PolarHBondContact O-N 3.24Å |
| 20 | G | 55 | Low | 62.1 | Low | 49 Ų | 49 | 123.9 Ų | 123.9 | 51% | 0.505 | 62% | 0.616 | S | S | . | * | trans | -85.4 | 40 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P22 | G20-P22 WeakPolarHBondContact O-CD 3.1Š| ||
| 21 | L | 52.2 | Low | 63.2 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | trans | -96.8 | 78.4 | 162.6 | -102.6 | 107.7 | 0 | 0 | 0 | 109.9 | E19 E23 | E19-L21 VanDerWaalsContact C-N 3.27Å; E19-L21 PolarHBondContact O-N 3.24Å; L21-E23 PolarHBondContact O-N 2.75Å | ||
| 22 | P | 54.4 | Low | 64.5 | Low | 97 Ų | 97 | 122.1 Ų | 122.1 | 63% | 0.63 | 61% | 0.609 | S | S | * | * | trans | -70.6 | 118.5 | 159.7 | 31.6 | -29.9 | 0 | 0 | 0 | 108.2 | G20 | G20-P22 WeakPolarHBondContact O-CD 3.1Š| ||
| 23 | E | 54.3 | Low | 65.9 | Low | 172 Ų | 172 | 121.9 Ų | 121.9 | 80% | 0.804 | 61% | 0.608 | S | S | * | * | trans | 59.7 | 62.1 | 140.9 | -58.8 | 174.8 | 80.8 | 0 | 0 | 118.5 | L21 A25 | L21-E23 PolarHBondContact O-N 2.75Å; E23-A25 VanDerWaalsContact C-N 3.28Å | ||
| 24 | I | 55.1 | Low | 67.3 | Low | 153 Ų | 153 | 118.4 Ų | 118.4 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | trans | -87.6 | 3.2 | 154.8 | 60.4 | 162.8 | 0 | 0 | 0 | 113.5 | E26 | I24-E26 PolarHBondContact O-N 2.02Š| ||
| 25 | A | 53.1 | Low | 68.6 | Low | 83 Ų | 83 | 114.6 Ų | 114.6 | 69% | 0.686 | 59% | 0.593 | S | S | * | * | trans | -78 | 64.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | E23 R27 | E23-A25 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 3.36Å | ||
| 26 | E | 56.8 | Low | 70 | Confident | 134 Ų | 134 | 113.4 Ų | 113.4 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | trans | -53.9 | 89.3 | 149.3 | -172.6 | -166.8 | 161.6 | 0 | 0 | 103.6 | I24 R28 | I24-E26 PolarHBondContact O-N 2.02Å; E26-R28 PolarHBondContact O-N 3.18Å | ||
| 27 | R | 54.6 | Low | 71.6 | Confident | 220 Ų | 220 | 107.7 Ų | 107.7 | 83% | 0.83 | 56% | 0.557 | S | S | * | * | trans | -57.7 | 98.4 | 170 | -113 | -144.4 | -91 | -118.6 | 2.4 | 101.5 | A25 R29 | A25-R27 PolarHBondContact O-N 3.36Å; R27-R29 WeakPolarHBondContact O-CG 3.34Å; R27-R29 PolarHBondContact O-N 3.15Å | ||
| 28 | R | 62.9 | Low | 73 | Confident | 143 Ų | 143 | 102.3 Ų | 102.3 | 54% | 0.54 | 53% | 0.532 | S | S | . | . | trans | -57.5 | 92.5 | -177.7 | -64.9 | -171.3 | -160.9 | 166.1 | 5.7 | 105.3 | E26 C30 | E26-R28 PolarHBondContact O-N 3.18Å; R28-C30 PolarHBondContact O-N 3.15Å; R28-C30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | R | 80.9 | Confident | 74 | Confident | 219 Ų | 219 | 100.7 Ų | 100.7 | 83% | 0.826 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 119.5 | -176.7 | -75.6 | -175.7 | -170.2 | 164.9 | 4.3 | 103.1 | R27 | R27-R29 WeakPolarHBondContact O-CG 3.34Å; R27-R29 PolarHBondContact O-N 3.15Å |
| 30 | C | 89.3 | Confident | 75.2 | Confident | 54 Ų | 54 | 94.2 Ų | 94.2 | 37% | 0.365 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 148.3 | 167 | 63.1 | 0 | 0 | 0 | 0 | 108 | R28 P44 C46 | R28-C30 PolarHBondContact O-N 3.15Å; R28-C30 VanDerWaalsContact O-N 3.13Å; C30-P44 CarbonylContact C-O 3.37Å; C30-P44 WeakPolarHBondContact CA-O 3.26Å; C30-P44 HydrophobicContact CB-CG 4.35Å; C30-P44 WeakPolarHBondContact CB-O 2.77Å; C30-C46 VanDerWaalsContact CA-SG 3.59Å; C30-C46 HydrophobicContact CB-CB 3.86Å; C30-C46 WeakPolarHBondContact CB-SG 3.42Å; C30-C46 PolarHBondContact O-SG 3Å; C30-C46 WeakPolarHBondContact SG-CA 3.37Å; C30-C46 WeakPolarHBondContact SG-CB 2.87Å; C30-C46 CovalentContact SG-SG 2.03Å; C30-C46 PolarHBondContact SG-SG 3.43Å |
| 31 | S | 90.9 | Very high | 76.6 | Confident | 16 Ų | 16 | 98.2 Ų | 98.2 | 11% | 0.112 | 50% | 0.5 | C | S | . | . | B | Isolated β-bridge | trans | -83 | 130.1 | 179.9 | -164.2 | 0 | 0 | 0 | 0 | 109.5 | G35 Y36 P44 C46 | S31-G35 VanDerWaalsContact OG-CA 3.29Å; S31-G35 WeakPolarHBondContact OG-CA 3.46Å; S31-Y36 WeakPolarHBondContact CB-O 3.04Å; S31-Y36 PolarHBondContact OG-N 3.28Å; S31-Y36 VanDerWaalsContact OG-N 3.17Å; S31-Y36 PolarHBondContact OG-O 2.86Å; S31-P44 PolarHBondContact N-O 2.03Å; S31-C46 PolarHBondContact O-N 2.76Å; S31-C46 PolarHBondContact O-SG 2.03Å; S31-C46 VanDerWaalsContact O-SG 3.42Å |
| 32 | P | 93 | Very high | 78.1 | Confident | 85 Ų | 85 | 98 Ų | 98 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 169.7 | 178.4 | 29.7 | -35.4 | 0 | 0 | 0 | 111 | G34 G35 C61 | P32-G34 PolarHBondContact O-N 3.06Å; P32-G35 WeakPolarHBondContact O-CA 3.34Å; P32-G35 PolarHBondContact O-N 3.24Å; P32-C61 WeakPolarHBondContact O-CB 3.45Å |
| 33 | L | 94.1 | Very high | 79.7 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 48% | 0.482 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 131.4 | 173.3 | -169.3 | 75.5 | 0 | 0 | 0 | 110.7 | G35 K63 | L33-G35 PolarHBondContact O-N 3.3Å; L33-K63 HydrophobicContact CD1-CG 3.68Å; L33-K63 HydrophobicContact CD2-CD 4.43Å; L33-K63 HydrophobicContact CD2-CG 4Å |
| 34 | G | 93.3 | Very high | 81.4 | Confident | 57 Ų | 57 | 92.6 Ų | 92.6 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -4.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | P32 T60 C61 | P32-G34 PolarHBondContact O-N 3.06Å; G34-T60 WeakPolarHBondContact O-CG2 3.4Å; G34-C61 PolarHBondContact N-O 2.8Å |
| 35 | G | 93.3 | Very high | 83.1 | Confident | 17 Ų | 17 | 86.4 Ų | 86.4 | 18% | 0.175 | 43% | 0.431 | C | S | . | . | trans | -78.6 | 166.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S31 P32 L33 T60 C61 | S31-G35 VanDerWaalsContact OG-CA 3.29Å; S31-G35 WeakPolarHBondContact OG-CA 3.46Å; P32-G35 WeakPolarHBondContact O-CA 3.34Å; P32-G35 PolarHBondContact O-N 3.24Å; L33-G35 PolarHBondContact O-N 3.3Å; G35-T60 CarbonylContact O-C 3.56Å; G35-T60 WeakPolarHBondContact O-CA 3.45Å; G35-C61 PolarHBondContact O-N 3.33Å | ||
| 36 | Y | 93.5 | Very high | 84.9 | Confident | 103 Ų | 103 | 83.6 Ų | 83.6 | 40% | 0.404 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 142.4 | 178.7 | 172.6 | -97.1 | 0 | 0 | 0 | 112.4 | S31 D38 Y43 A57 | S31-Y36 WeakPolarHBondContact CB-O 3.04Å; S31-Y36 PolarHBondContact OG-N 3.28Å; S31-Y36 VanDerWaalsContact OG-N 3.17Å; S31-Y36 PolarHBondContact OG-O 2.86Å; Y36-D38 HydrophobicContact CE1-CB 4.38Å; Y36-Y43 HydrophobicContact CD1-CD1 4.09Å; Y36-Y43 HydrophobicContact CD1-CG 4.14Å; Y36-Y43 HydrophobicContact CE1-CD1 4.11Å; Y36-Y43 HydrophobicContact CE1-CD2 4Å; Y36-Y43 HydrophobicContact CE1-CE1 4.44Å; Y36-Y43 HydrophobicContact CE1-CE2 4.32Å; Y36-Y43 AromaticContact CE1-CG 3.87Å; Y36-Y43 HydrophobicContact CE1-CG 3.87Å; Y36-A57 PolarHBondContact OH-O 3.09Å |
| 37 | C | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 158.2 | 168.1 | 64.2 | 0 | 0 | 0 | 0 | 110 | C51 G59 T60 | C37-C51 VanDerWaalsContact C-SG 3.55Å; C37-C51 HydrophobicContact CB-CB 3.82Å; C37-C51 WeakPolarHBondContact CB-SG 3.31Å; C37-C51 WeakPolarHBondContact SG-CA 3.36Å; C37-C51 WeakPolarHBondContact SG-CB 3.33Å; C37-C51 CovalentContact SG-SG 2.03Å; C37-C51 PolarHBondContact SG-SG 3.03Å; C37-G59 PolarHBondContact N-O 2.85Å; C37-G59 CarbonylContact O-C 3.52Å; C37-G59 VanDerWaalsContact O-C 3.29Å; C37-G59 WeakPolarHBondContact O-CA 2.94Å; C37-G59 PolarHBondContact O-N 3.26Å; C37-T60 PolarHBondContact SG-N 2.03Å; C37-T60 VanDerWaalsContact SG-N 3.45Å |
| 38 | D | 90.4 | Very high | 87.9 | Confident | 29 Ų | 29 | 85.7 Ų | 85.7 | 16% | 0.155 | 42% | 0.422 | C | S | . | . | trans | -127.3 | 12.3 | -179.9 | 64.3 | -9.7 | 0 | 0 | 0 | 112.5 | Y36 S40 Y43 A57 | Y36-D38 HydrophobicContact CE1-CB 4.38Å; D38-S40 PolarHBondContact O-N 2.94Å; D38-S40 VanDerWaalsContact O-N 3.13Å; D38-S40 WeakPolarHBondContact OD1-CA 3.39Å; D38-S40 WeakPolarHBondContact OD1-CB 3.19Å; D38-S40 PolarHBondContact OD1-N 2.86Å; D38-S40 PolarHBondContact OD1-OG 3.36Å; D38-S40 WeakPolarHBondContact OD2-CB 3.18Å; D38-S40 PolarHBondContact OD2-OG 3.4Å; D38-Y43 VanDerWaalsContact OD2-CD2 3.31Å; D38-Y43 WeakPolarHBondContact OD2-CD2 3.41Å; D38-A57 HydrophobicContact CB-CB 4.25Å; D38-A57 WeakPolarHBondContact CB-O 3.01Å | ||
| 39 | R | 84.2 | Confident | 89.3 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 63.8 | 4.8 | -172.8 | -124.6 | -179.7 | 176.4 | 162.9 | 8.8 | 114.2 | C51 L53 G70 E76 | R39-C51 HydrophobicContact CG-CB 4.21Å; R39-C51 PolarHBondContact N-SG 3.45Å; R39-C51 VanDerWaalsContact N-SG 3.43Å; R39-L53 HydrophobicContact CB-CD1 4.12Å; R39-L53 HydrophobicContact CB-CD2 4.21Å; R39-L53 HydrophobicContact CB-CG 4.23Å; R39-L53 VanDerWaalsContact CD-CD1 3.49Å; R39-L53 HydrophobicContact CG-CD1 4.33Å; R39-L53 HydrophobicContact CG-CG 4.42Å; R39-G70 PolarHBondContact NH2-O 2.87Å; R39-E76 IonicContact NH2-OE2 3.58Å |
| 40 | S | 85.5 | Confident | 89.9 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 25% | 0.245 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -81.2 | 170.5 | 171.6 | 85.1 | 0 | 0 | 0 | 0 | 110.7 | D38 F42 Y43 | D38-S40 PolarHBondContact O-N 2.94Å; D38-S40 VanDerWaalsContact O-N 3.13Å; D38-S40 WeakPolarHBondContact OD1-CA 3.39Å; D38-S40 WeakPolarHBondContact OD1-CB 3.19Å; D38-S40 PolarHBondContact OD1-N 2.86Å; D38-S40 PolarHBondContact OD1-OG 3.36Å; D38-S40 WeakPolarHBondContact OD2-CB 3.18Å; D38-S40 PolarHBondContact OD2-OG 3.4Å; S40-F42 PolarHBondContact O-N 2.83Å; S40-F42 WeakPolarHBondContact OG-CB 3.03Å; S40-F42 WeakPolarHBondContact OG-CD2 3.47Å; S40-F42 PolarHBondContact OG-N 3.49Å; S40-Y43 PolarHBondContact OG-N 3.32Å |
| 41 | I | 83 | Confident | 90.2 | Very high | 132 Ų | 132 | 68.6 Ų | 68.6 | 68% | 0.677 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -78.6 | -9.7 | 174.8 | -52.2 | 168.8 | 0 | 0 | 0 | 110.7 | ||
| 42 | F | 84.1 | Confident | 90.4 | Very high | 129 Ų | 129 | 69.6 Ų | 69.6 | 57% | 0.566 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -79.7 | -35.9 | 179 | -58.2 | -75.4 | 0 | 0 | 0 | 111.6 | S40 P44 | S40-F42 PolarHBondContact O-N 2.83Å; S40-F42 WeakPolarHBondContact OG-CB 3.03Å; S40-F42 WeakPolarHBondContact OG-CD2 3.47Å; S40-F42 PolarHBondContact OG-N 3.49Å; F42-P44 VanDerWaalsContact O-CD 3.25Å; F42-P44 WeakPolarHBondContact O-CD 3.25Å |
| 43 | Y | 87.4 | Confident | 90.4 | Very high | 108 Ų | 108 | 67.9 Ų | 67.9 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -120.9 | 64.8 | 178.5 | -55 | -83.3 | 0 | 0 | 0 | 111.7 | Y36 D38 S40 | Y36-Y43 HydrophobicContact CD1-CD1 4.09Å; Y36-Y43 HydrophobicContact CD1-CG 4.14Å; Y36-Y43 HydrophobicContact CE1-CD1 4.11Å; Y36-Y43 HydrophobicContact CE1-CD2 4Å; Y36-Y43 HydrophobicContact CE1-CE1 4.44Å; Y36-Y43 HydrophobicContact CE1-CE2 4.32Å; Y36-Y43 AromaticContact CE1-CG 3.87Å; Y36-Y43 HydrophobicContact CE1-CG 3.87Å; D38-Y43 VanDerWaalsContact OD2-CD2 3.31Å; D38-Y43 WeakPolarHBondContact OD2-CD2 3.41Å; S40-Y43 PolarHBondContact OG-N 3.32Å |
| 44 | P | 90.1 | Very high | 90.2 | Very high | 48 Ų | 48 | 68.8 Ų | 68.8 | 31% | 0.312 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 145.7 | 177.8 | 30.5 | -33.6 | 0 | 0 | 0 | 110.3 | C30 S31 F42 | C30-P44 CarbonylContact C-O 3.37Å; C30-P44 WeakPolarHBondContact CA-O 3.26Å; C30-P44 HydrophobicContact CB-CG 4.35Å; C30-P44 WeakPolarHBondContact CB-O 2.77Å; S31-P44 PolarHBondContact N-O 2.03Å; F42-P44 VanDerWaalsContact O-CD 3.25Å; F42-P44 WeakPolarHBondContact O-CD 3.25Å |
| 45 | C | 91.9 | Very high | 90 | Very high | 22 Ų | 22 | 68 Ų | 68 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 145.7 | 170.7 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | S49 C61 | C45-S49 WeakPolarHBondContact CB-OG 3.13Å; C45-C61 WeakPolarHBondContact CA-SG 3.31Å; C45-C61 HydrophobicContact CB-CB 3.71Å; C45-C61 WeakPolarHBondContact CB-SG 2.97Å; C45-C61 WeakPolarHBondContact SG-CA 3.11Å; C45-C61 WeakPolarHBondContact SG-CB 3.33Å; C45-C61 CovalentContact SG-SG 2.03Å; C45-C61 PolarHBondContact SG-SG 2.76Å |
| 46 | C | 91.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 77 Ų | 77 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -72 | 152.8 | 177.8 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | C30 S31 S49 | C30-C46 VanDerWaalsContact CA-SG 3.59Å; C30-C46 HydrophobicContact CB-CB 3.86Å; C30-C46 WeakPolarHBondContact CB-SG 3.42Å; C30-C46 PolarHBondContact O-SG 3Å; C30-C46 WeakPolarHBondContact SG-CA 3.37Å; C30-C46 WeakPolarHBondContact SG-CB 2.87Å; C30-C46 CovalentContact SG-SG 2.03Å; C30-C46 PolarHBondContact SG-SG 3.43Å; S31-C46 PolarHBondContact O-N 2.76Å; S31-C46 PolarHBondContact O-SG 2.03Å; S31-C46 VanDerWaalsContact O-SG 3.42Å; C46-S49 WeakPolarHBondContact O-CB 2.97Å; C46-S49 PolarHBondContact O-N 2.88Å; C46-S49 PolarHBondContact O-OG 3.14Å |
| 47 | E | 87.1 | Confident | 89.2 | Confident | 194 Ų | 194 | 74 Ų | 74 | 91% | 0.907 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | -140.9 | 174.1 | -51.5 | -177.8 | 94.1 | 0 | 0 | 113.3 | S49 | E47-S49 VanDerWaalsContact C-N 3.26Å; E47-S49 PolarHBondContact O-N 2.76Å |
| 48 | K | 87.2 | Confident | 89.2 | Confident | 204 Ų | 204 | 78.2 Ų | 78.2 | 89% | 0.887 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 21.5 | 176.4 | -62.4 | -178 | 180 | 177.7 | 0 | 112.6 | ||
| 49 | S | 91.8 | Very high | 89.4 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | trans | -82.7 | 159.3 | 177.8 | 69.2 | 0 | 0 | 0 | 0 | 111.2 | C45 C46 E47 V62 | C45-S49 WeakPolarHBondContact CB-OG 3.13Å; C46-S49 WeakPolarHBondContact O-CB 2.97Å; C46-S49 PolarHBondContact O-N 2.88Å; C46-S49 PolarHBondContact O-OG 3.14Å; E47-S49 VanDerWaalsContact C-N 3.26Å; E47-S49 PolarHBondContact O-N 2.76Å; S49-V62 CarbonylContact C-O 3.29Å; S49-V62 WeakPolarHBondContact CA-O 3.02Å; S49-V62 VanDerWaalsContact CB-O 3.29Å; S49-V62 WeakPolarHBondContact CB-O 3.29Å | ||
| 50 | V | 93.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146.1 | -169.8 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | K52 C61 V62 L65 E76 | V50-K52 PolarHBondContact O-N 3.49Å; V50-C61 WeakPolarHBondContact O-CA 3.43Å; V50-V62 HydrophobicContact CG2-CG2 3.83Å; V50-V62 WeakPolarHBondContact CG2-O 2.97Å; V50-V62 PolarHBondContact N-O 2.83Å; V50-V62 PolarHBondContact O-N 3.42Å; V50-L65 HydrophobicContact CG2-CD2 4.1Å; V50-L65 HydrophobicContact CG2-CG 3.78Å; V50-E76 HydrophobicContact CB-CB 4.37Å; V50-E76 HydrophobicContact CB-CG 4.4Å; V50-E76 HydrophobicContact CG1-CB 3.93Å; V50-E76 HydrophobicContact CG1-CG 3.77Å |
| 51 | C | 94.3 | Very high | 90.4 | Very high | 17 Ų | 17 | 72.9 Ų | 72.9 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 111.8 | -176.9 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | C37 R39 L53 | C37-C51 VanDerWaalsContact C-SG 3.55Å; C37-C51 HydrophobicContact CB-CB 3.82Å; C37-C51 WeakPolarHBondContact CB-SG 3.31Å; C37-C51 WeakPolarHBondContact SG-CA 3.36Å; C37-C51 WeakPolarHBondContact SG-CB 3.33Å; C37-C51 CovalentContact SG-SG 2.03Å; C37-C51 PolarHBondContact SG-SG 3.03Å; R39-C51 HydrophobicContact CG-CB 4.21Å; R39-C51 PolarHBondContact N-SG 3.45Å; R39-C51 VanDerWaalsContact N-SG 3.43Å; C51-L53 PolarHBondContact O-N 2.96Å |
| 52 | K | 94.9 | Very high | 91 | Very high | 38 Ų | 38 | 68.2 Ų | 68.2 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 99.3 | 173.8 | -177.3 | 179.8 | -177.5 | 167.1 | 0 | 109.7 | V50 H54 G59 T60 V62 L65 W69 | V50-K52 PolarHBondContact O-N 3.49Å; K52-H54 PolarHBondContact O-N 2.58Å; K52-G59 CarbonylContact O-C 3.53Å; K52-G59 WeakPolarHBondContact O-CA 3.36Å; K52-T60 VanDerWaalsContact CB-O 3.31Å; K52-T60 WeakPolarHBondContact CB-O 3.5Å; K52-T60 PolarHBondContact N-O 2.84Å; K52-T60 PolarHBondContact O-N 2.79Å; K52-V62 HydrophobicContact CB-CG1 4.03Å; K52-V62 HydrophobicContact CB-CG2 3.76Å; K52-V62 HydrophobicContact CD-CG1 3.93Å; K52-V62 HydrophobicContact CD-CG2 4.36Å; K52-L65 HydrophobicContact CB-CD2 3.8Å; K52-L65 HydrophobicContact CG-CD2 4.15Å; K52-W69 HydrophobicContact CD-CD2 4.36Å; K52-W69 HydrophobicContact CD-CE3 4.29Å; K52-W69 HydrophobicContact CD-CH2 4.26Å; K52-W69 HydrophobicContact CD-CZ2 4.34Å; K52-W69 HydrophobicContact CD-CZ3 4.21Å; K52-W69 HydrophobicContact CG-CD2 3.96Å; K52-W69 HydrophobicContact CG-CE3 3.49Å; K52-W69 VanDerWaalsContact CG-CE3 3.49Å; K52-W69 HydrophobicContact CG-CH2 4.05Å; K52-W69 HydrophobicContact CG-CZ2 4.47Å; K52-W69 HydrophobicContact CG-CZ3 3.52Å |
| 53 | L | 93.4 | Very high | 91.6 | Very high | 49 Ų | 49 | 69.8 Ų | 69.8 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 115.2 | 178.3 | -76.7 | -180 | 0 | 0 | 0 | 112.1 | R39 C51 N58 W69 | R39-L53 HydrophobicContact CB-CD1 4.12Å; R39-L53 HydrophobicContact CB-CD2 4.21Å; R39-L53 HydrophobicContact CB-CG 4.23Å; R39-L53 VanDerWaalsContact CD-CD1 3.49Å; R39-L53 HydrophobicContact CG-CD1 4.33Å; R39-L53 HydrophobicContact CG-CG 4.42Å; C51-L53 PolarHBondContact O-N 2.96Å; L53-N58 CarbonylContact C-O 3.59Å; L53-N58 WeakPolarHBondContact CA-O 3.1Å; L53-W69 VanDerWaalsContact O-CZ3 3.25Å; L53-W69 WeakPolarHBondContact O-CZ3 3.29Å |
| 54 | H | 91 | Very high | 91.9 | Very high | 110 Ų | 110 | 66.9 Ų | 66.9 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -16 | 172.5 | -61.9 | -69.3 | 0 | 0 | 0 | 113 | K52 N58 T60 W69 | K52-H54 PolarHBondContact O-N 2.58Å; H54-N58 PolarHBondContact N-O 2.66Å; H54-T60 PolarHBondContact CD2-OG1 3.46Å; H54-T60 VanDerWaalsContact CD2-OG1 3.32Å; H54-T60 PolarHBondContact NE2-OG1 2.9Å; H54-W69 AromaticContact ND1-CH2 3.93Å |
| 55 | G | 87.4 | Confident | 92.1 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | -161.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A57 N58 | G55-A57 PolarHBondContact O-N 2.9Å; G55-N58 PolarHBondContact N-O 3.17Å; G55-N58 VanDerWaalsContact N-O 3.14Å |
| 56 | F | 87 | Confident | 92.2 | Very high | 207 Ų | 207 | 68 Ų | 68 | 91% | 0.908 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 117.5 | 176.2 | -175.9 | -98.7 | 0 | 0 | 0 | 110.4 | N58 | F56-N58 PolarHBondContact O-N 3.13Š|
| 57 | A | 85 | Confident | 92.3 | Very high | 41 Ų | 41 | 69.9 Ų | 69.9 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 26.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y36 D38 G55 | Y36-A57 PolarHBondContact OH-O 3.09Å; D38-A57 HydrophobicContact CB-CB 4.25Å; D38-A57 WeakPolarHBondContact CB-O 3.01Å; G55-A57 PolarHBondContact O-N 2.9Å |
| 58 | N | 91.6 | Very high | 92.5 | Very high | 87 Ų | 87 | 65.8 Ų | 65.8 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 122.9 | 176.5 | -174.3 | -17.1 | 0 | 0 | 0 | 109.5 | L53 H54 G55 F56 | L53-N58 CarbonylContact C-O 3.59Å; L53-N58 WeakPolarHBondContact CA-O 3.1Å; H54-N58 PolarHBondContact N-O 2.66Å; G55-N58 PolarHBondContact N-O 3.17Å; G55-N58 VanDerWaalsContact N-O 3.14Å; F56-N58 PolarHBondContact O-N 3.13Å |
| 59 | G | 95.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C37 K52 | C37-G59 PolarHBondContact N-O 2.85Å; C37-G59 CarbonylContact O-C 3.52Å; C37-G59 VanDerWaalsContact O-C 3.29Å; C37-G59 WeakPolarHBondContact O-CA 2.94Å; C37-G59 PolarHBondContact O-N 3.26Å; K52-G59 CarbonylContact O-C 3.53Å; K52-G59 WeakPolarHBondContact O-CA 3.36Å |
| 60 | T | 95.5 | Very high | 92.8 | Very high | 39 Ų | 39 | 60 Ų | 60 | 24% | 0.239 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.7 | -178.6 | -47.7 | 0 | 0 | 0 | 0 | 110.2 | G34 G35 C37 K52 H54 V62 | G34-T60 WeakPolarHBondContact O-CG2 3.4Å; G35-T60 CarbonylContact O-C 3.56Å; G35-T60 WeakPolarHBondContact O-CA 3.45Å; C37-T60 PolarHBondContact SG-N 2.03Å; C37-T60 VanDerWaalsContact SG-N 3.45Å; K52-T60 VanDerWaalsContact CB-O 3.31Å; K52-T60 WeakPolarHBondContact CB-O 3.5Å; K52-T60 PolarHBondContact N-O 2.84Å; K52-T60 PolarHBondContact O-N 2.79Å; H54-T60 PolarHBondContact CD2-OG1 3.46Å; H54-T60 VanDerWaalsContact CD2-OG1 3.32Å; H54-T60 PolarHBondContact NE2-OG1 2.9Å; T60-V62 PolarHBondContact O-N 3.44Å |
| 61 | C | 95.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.1 | 174 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | P32 G34 G35 C45 V50 | P32-C61 WeakPolarHBondContact O-CB 3.45Å; G34-C61 PolarHBondContact N-O 2.8Å; G35-C61 PolarHBondContact O-N 3.33Å; C45-C61 WeakPolarHBondContact CA-SG 3.31Å; C45-C61 HydrophobicContact CB-CB 3.71Å; C45-C61 WeakPolarHBondContact CB-SG 2.97Å; C45-C61 WeakPolarHBondContact SG-CA 3.11Å; C45-C61 WeakPolarHBondContact SG-CB 3.33Å; C45-C61 CovalentContact SG-SG 2.03Å; C45-C61 PolarHBondContact SG-SG 2.76Å; V50-C61 WeakPolarHBondContact O-CA 3.43Å |
| 62 | V | 96 | Very high | 92.5 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 161.6 | 178.7 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | S49 V50 K52 T60 C64 L65 | S49-V62 CarbonylContact C-O 3.29Å; S49-V62 WeakPolarHBondContact CA-O 3.02Å; S49-V62 VanDerWaalsContact CB-O 3.29Å; S49-V62 WeakPolarHBondContact CB-O 3.29Å; V50-V62 HydrophobicContact CG2-CG2 3.83Å; V50-V62 WeakPolarHBondContact CG2-O 2.97Å; V50-V62 PolarHBondContact N-O 2.83Å; V50-V62 PolarHBondContact O-N 3.42Å; K52-V62 HydrophobicContact CB-CG1 4.03Å; K52-V62 HydrophobicContact CB-CG2 3.76Å; K52-V62 HydrophobicContact CD-CG1 3.93Å; K52-V62 HydrophobicContact CD-CG2 4.36Å; T60-V62 PolarHBondContact O-N 3.44Å; V62-C64 VanDerWaalsContact C-N 3.35Å; V62-C64 VanDerWaalsContact CG2-O 3.29Å; V62-C64 WeakPolarHBondContact CG2-O 3.43Å; V62-C64 PolarHBondContact O-N 3.11Å; V62-L65 HydrophobicContact CG2-CD2 4.08Å |
| 63 | K | 95.3 | Very high | 92.3 | Very high | 163 Ų | 163 | 65.5 Ų | 65.5 | 71% | 0.709 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -66.8 | -38.8 | -179.5 | -68.4 | -174.2 | 179.2 | 178.6 | 0 | 112.3 | L33 | L33-K63 HydrophobicContact CD1-CG 3.68Å; L33-K63 HydrophobicContact CD2-CD 4.43Å; L33-K63 HydrophobicContact CD2-CG 4Å |
| 64 | C | 94.7 | Very high | 92.3 | Very high | 46 Ų | 46 | 66.9 Ų | 66.9 | 31% | 0.311 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -156.3 | 157.8 | 176.9 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | V62 E76 C78 | V62-C64 VanDerWaalsContact C-N 3.35Å; V62-C64 VanDerWaalsContact CG2-O 3.29Å; V62-C64 WeakPolarHBondContact CG2-O 3.43Å; V62-C64 PolarHBondContact O-N 3.11Å; C64-E76 CarbonylContact C-O 3.43Å; C64-E76 WeakPolarHBondContact CA-O 3.45Å; C64-C78 HydrophobicContact CB-CB 3.91Å; C64-C78 WeakPolarHBondContact CB-SG 3.42Å; C64-C78 VanDerWaalsContact SG-CA 3.6Å; C64-C78 WeakPolarHBondContact SG-CB 3.38Å; C64-C78 CovalentContact SG-SG 2.03Å; C64-C78 PolarHBondContact SG-SG 3.44Å |
| 65 | L | 95.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -86.3 | 132.6 | 178 | -64.5 | 176.8 | 0 | 0 | 0 | 110.3 | V50 K52 V62 W69 G70 C71 E76 C77 C78 C87 | V50-L65 HydrophobicContact CG2-CD2 4.1Å; V50-L65 HydrophobicContact CG2-CG 3.78Å; K52-L65 HydrophobicContact CB-CD2 3.8Å; K52-L65 HydrophobicContact CG-CD2 4.15Å; V62-L65 HydrophobicContact CG2-CD2 4.08Å; L65-W69 HydrophobicContact CB-CB 3.94Å; L65-W69 HydrophobicContact CD1-CB 4.47Å; L65-W69 HydrophobicContact CD2-CB 4.22Å; L65-W69 HydrophobicContact CG-CB 4.43Å; L65-G70 VanDerWaalsContact CD1-O 3.25Å; L65-G70 WeakPolarHBondContact CD1-O 3.48Å; L65-C71 HydrophobicContact CD1-CB 4.07Å; L65-E76 HydrophobicContact CD1-CB 3.92Å; L65-E76 HydrophobicContact CG-CB 4.42Å; L65-E76 PolarHBondContact N-O 3.48Å; L65-C77 WeakPolarHBondContact O-CA 3.29Å; L65-C78 PolarHBondContact O-N 3.18Å; L65-C78 PolarHBondContact O-SG 3.12Å; L65-C78 VanDerWaalsContact O-SG 3.32Å; L65-C87 VanDerWaalsContact CB-SG 3.55Å |
| 66 | D | 93.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 66 Ų | 66 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 173.9 | 171.6 | -72.8 | -69.7 | 0 | 0 | 0 | 111.6 | W69 C87 | D66-W69 WeakPolarHBondContact O-CB 3.04Å; D66-W69 PolarHBondContact O-N 3.31Å; D66-C87 WeakPolarHBondContact O-CB 3.37Å |
| 67 | V | 92.8 | Very high | 92.9 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 38% | 0.382 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 147.8 | 173 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | W69 P89 | V67-W69 PolarHBondContact O-N 3.5Å; V67-P89 HydrophobicContact CG1-CB 4.49Å; V67-P89 HydrophobicContact CG1-CG 4.48Å; V67-P89 HydrophobicContact CG2-CB 4.17Å |
| 68 | D | 90.6 | Very high | 93.3 | Very high | 109 Ų | 109 | 57.2 Ų | 57.2 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | -1.5 | -177.4 | -77.8 | -66.9 | 0 | 0 | 0 | 116.7 | C87 | D68-C87 PolarHBondContact N-O 2.58Š|
| 69 | W | 92.8 | Very high | 93.3 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -78.3 | 145.3 | 172.6 | -71.5 | 84.9 | 0 | 0 | 0 | 112.2 | K52 L53 H54 L65 D66 V67 C71 K86 C87 | K52-W69 HydrophobicContact CD-CD2 4.36Å; K52-W69 HydrophobicContact CD-CE3 4.29Å; K52-W69 HydrophobicContact CD-CH2 4.26Å; K52-W69 HydrophobicContact CD-CZ2 4.34Å; K52-W69 HydrophobicContact CD-CZ3 4.21Å; K52-W69 HydrophobicContact CG-CD2 3.96Å; K52-W69 HydrophobicContact CG-CE3 3.49Å; K52-W69 VanDerWaalsContact CG-CE3 3.49Å; K52-W69 HydrophobicContact CG-CH2 4.05Å; K52-W69 HydrophobicContact CG-CZ2 4.47Å; K52-W69 HydrophobicContact CG-CZ3 3.52Å; L53-W69 VanDerWaalsContact O-CZ3 3.25Å; L53-W69 WeakPolarHBondContact O-CZ3 3.29Å; H54-W69 AromaticContact ND1-CH2 3.93Å; L65-W69 HydrophobicContact CB-CB 3.94Å; L65-W69 HydrophobicContact CD1-CB 4.47Å; L65-W69 HydrophobicContact CD2-CB 4.22Å; L65-W69 HydrophobicContact CG-CB 4.43Å; D66-W69 WeakPolarHBondContact O-CB 3.04Å; D66-W69 PolarHBondContact O-N 3.31Å; V67-W69 PolarHBondContact O-N 3.5Å; W69-C71 PolarHBondContact O-N 2.68Å; W69-K86 CarbonylContact O-C 3.43Å; W69-K86 WeakPolarHBondContact O-CA 3.15Å; W69-C87 PolarHBondContact O-N 2.98Å |
| 70 | G | 92.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -66.1 | 121.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R39 L65 V85 | R39-G70 PolarHBondContact NH2-O 2.87Å; L65-G70 VanDerWaalsContact CD1-O 3.25Å; L65-G70 WeakPolarHBondContact CD1-O 3.48Å; G70-V85 CarbonylContact C-O 3.57Å; G70-V85 WeakPolarHBondContact CA-O 2.9Å |
| 71 | C | 92.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | trans | -126 | 153 | -178.9 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | L65 W69 E76 C77 C82 V85 K86 C87 | L65-C71 HydrophobicContact CD1-CB 4.07Å; W69-C71 PolarHBondContact O-N 2.68Å; C71-E76 HydrophobicContact CB-CB 4.43Å; C71-C77 VanDerWaalsContact CB-SG 3.53Å; C71-C82 HydrophobicContact CB-CB 3.86Å; C71-C82 WeakPolarHBondContact CB-SG 3.06Å; C71-C82 PolarHBondContact O-SG 2.67Å; C71-C82 WeakPolarHBondContact SG-CA 3.01Å; C71-C82 WeakPolarHBondContact SG-CB 3.42Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.35Å; C71-V85 PolarHBondContact N-O 3.49Å; C71-V85 WeakPolarHBondContact O-CG1 3.28Å; C71-K86 PolarHBondContact SG-O 2.93Å; C71-C87 PolarHBondContact SG-N 2.65Å; C71-C87 VanDerWaalsContact SG-N 3.36Å | ||
| 72 | L | 90.5 | Very high | 93 | Very high | 135 Ų | 135 | 57.3 Ų | 57.3 | 71% | 0.707 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -105.6 | -32.5 | 170.8 | -59.8 | 169.3 | 0 | 0 | 0 | 111.3 | E76 | L72-E76 WeakPolarHBondContact CB-OE1 3.48Å; L72-E76 PolarHBondContact N-OE1 2.03Å; L72-E76 VanDerWaalsContact N-OE1 3.15Å; L72-E76 PolarHBondContact N-OE2 3.13Å |
| 73 | S | 90.8 | Very high | 92.9 | Very high | 52 Ų | 52 | 61 Ų | 61 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -126.5 | 150.2 | 178 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | S75 E76 | S73-S75 PolarHBondContact O-N 2.97Å; S73-S75 PolarHBondContact OG-OG 3.03Å; S73-S75 VanDerWaalsContact OG-OG 3.09Å; S73-E76 PolarHBondContact N-OE1 3.03Å; S73-E76 WeakPolarHBondContact O-CB 3.21Å; S73-E76 PolarHBondContact O-N 3.33Å |
| 74 | N | 92.6 | Very high | 92.7 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -56.2 | -33.8 | 174.4 | -78.4 | 35.4 | 0 | 0 | 0 | 113 | E76 C77 G80 C82 | N74-E76 PolarHBondContact O-N 3.42Å; N74-C77 PolarHBondContact O-N 3.02Å; N74-G80 WeakPolarHBondContact CB-O 3.48Å; N74-G80 PolarHBondContact ND2-O 3.46Å; N74-G80 VanDerWaalsContact ND2-O 3.15Å; N74-G80 CarbonylContact O-C 3.57Å; N74-G80 VanDerWaalsContact O-CA 3.26Å; N74-G80 WeakPolarHBondContact O-CA 3.15Å; N74-C82 WeakPolarHBondContact OD1-CB 3.38Å; N74-C82 PolarHBondContact OD1-N 3.4Å; N74-C82 VanDerWaalsContact OD1-N 3.15Å; N74-C82 PolarHBondContact OD1-O 3.36Å |
| 75 | S | 90.7 | Very high | 92.6 | Very high | 101 Ų | 101 | 62 Ų | 62 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -67.5 | -16.2 | 179.2 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | S73 | S73-S75 PolarHBondContact O-N 2.97Å; S73-S75 PolarHBondContact OG-OG 3.03Å; S73-S75 VanDerWaalsContact OG-OG 3.09Å |
| 76 | E | 92.1 | Very high | 92.5 | Very high | 29 Ų | 29 | 66.8 Ų | 66.8 | 14% | 0.136 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -77.3 | -29.5 | 177.2 | -61.5 | 172.6 | -134.5 | 0 | 0 | 112.2 | R39 V50 C64 L65 C71 L72 S73 N74 | R39-E76 IonicContact NH2-OE2 3.58Å; V50-E76 HydrophobicContact CB-CB 4.37Å; V50-E76 HydrophobicContact CB-CG 4.4Å; V50-E76 HydrophobicContact CG1-CB 3.93Å; V50-E76 HydrophobicContact CG1-CG 3.77Å; C64-E76 CarbonylContact C-O 3.43Å; C64-E76 WeakPolarHBondContact CA-O 3.45Å; L65-E76 HydrophobicContact CD1-CB 3.92Å; L65-E76 HydrophobicContact CG-CB 4.42Å; L65-E76 PolarHBondContact N-O 3.48Å; C71-E76 HydrophobicContact CB-CB 4.43Å; L72-E76 WeakPolarHBondContact CB-OE1 3.48Å; L72-E76 PolarHBondContact N-OE1 2.03Å; L72-E76 VanDerWaalsContact N-OE1 3.15Å; L72-E76 PolarHBondContact N-OE2 3.13Å; S73-E76 PolarHBondContact N-OE1 3.03Å; S73-E76 WeakPolarHBondContact O-CB 3.21Å; S73-E76 PolarHBondContact O-N 3.33Å; N74-E76 PolarHBondContact O-N 3.42Å |
| 77 | C | 94.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -83 | 137.6 | -175.9 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | L65 C71 N74 S79 G80 I81 C87 | L65-C77 WeakPolarHBondContact O-CA 3.29Å; C71-C77 VanDerWaalsContact CB-SG 3.53Å; N74-C77 PolarHBondContact O-N 3.02Å; C77-S79 WeakPolarHBondContact CB-OG 3.49Å; C77-S79 PolarHBondContact O-N 3.14Å; C77-S79 VanDerWaalsContact O-N 3.14Å; C77-G80 PolarHBondContact O-N 3.34Å; C77-I81 PolarHBondContact SG-O 3.19Å; C77-C87 WeakPolarHBondContact CA-SG 3.33Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.14Å; C77-C87 WeakPolarHBondContact SG-CA 3.06Å; C77-C87 WeakPolarHBondContact SG-CB 3.02Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 3.22Å |
| 78 | C | 93.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 62.4 Ų | 62.4 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -26 | 172.1 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | C64 L65 G80 | C64-C78 HydrophobicContact CB-CB 3.91Å; C64-C78 WeakPolarHBondContact CB-SG 3.42Å; C64-C78 VanDerWaalsContact SG-CA 3.6Å; C64-C78 WeakPolarHBondContact SG-CB 3.38Å; C64-C78 CovalentContact SG-SG 2.03Å; C64-C78 PolarHBondContact SG-SG 3.44Å; L65-C78 PolarHBondContact O-N 3.18Å; L65-C78 PolarHBondContact O-SG 3.12Å; L65-C78 VanDerWaalsContact O-SG 3.32Å; C78-G80 VanDerWaalsContact C-N 3.33Å |
| 79 | S | 91.7 | Very high | 92.5 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -12.4 | 173.3 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | C77 I81 Q88 K90 | C77-S79 WeakPolarHBondContact CB-OG 3.49Å; C77-S79 PolarHBondContact O-N 3.14Å; C77-S79 VanDerWaalsContact O-N 3.14Å; S79-I81 PolarHBondContact O-N 3.33Å; S79-I81 PolarHBondContact OG-N 3.43Å; S79-I81 PolarHBondContact OG-O 3.28Å; S79-Q88 WeakPolarHBondContact CB-O 3.38Å; S79-Q88 PolarHBondContact OG-O 3.02Å; S79-K90 WeakPolarHBondContact O-CE 3.25Å; S79-K90 WeakPolarHBondContact O-CG 3.37Å |
| 80 | G | 93.1 | Very high | 92.1 | Very high | 35 Ų | 35 | 63.9 Ų | 63.9 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 67.7 | 13.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N74 C77 C78 | N74-G80 WeakPolarHBondContact CB-O 3.48Å; N74-G80 PolarHBondContact ND2-O 3.46Å; N74-G80 VanDerWaalsContact ND2-O 3.15Å; N74-G80 CarbonylContact O-C 3.57Å; N74-G80 VanDerWaalsContact O-CA 3.26Å; N74-G80 WeakPolarHBondContact O-CA 3.15Å; C77-G80 PolarHBondContact O-N 3.34Å; C78-G80 VanDerWaalsContact C-N 3.33Å |
| 81 | I | 93 | Very high | 91.3 | Very high | 61 Ų | 61 | 71.5 Ų | 71.5 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | trans | -129.8 | 107.9 | -176.8 | -54.7 | 171.6 | 0 | 0 | 0 | 108.6 | C77 S79 C87 Q88 K90 | C77-I81 PolarHBondContact SG-O 3.19Å; S79-I81 PolarHBondContact O-N 3.33Å; S79-I81 PolarHBondContact OG-N 3.43Å; S79-I81 PolarHBondContact OG-O 3.28Å; I81-C87 WeakPolarHBondContact O-CA 3.44Å; I81-Q88 HydrophobicContact CB-CB 4.2Å; I81-Q88 HydrophobicContact CG2-CB 3.8Å; I81-Q88 HydrophobicContact CG2-CG 4.2Å; I81-Q88 PolarHBondContact O-N 3.16Å; I81-K90 HydrophobicContact CD1-CG 4.49Å | ||
| 82 | C | 94.2 | Very high | 90.1 | Very high | 22 Ų | 22 | 81 Ų | 81 | 15% | 0.149 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.1 | 167.4 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | C71 N74 | C71-C82 HydrophobicContact CB-CB 3.86Å; C71-C82 WeakPolarHBondContact CB-SG 3.06Å; C71-C82 PolarHBondContact O-SG 2.67Å; C71-C82 WeakPolarHBondContact SG-CA 3.01Å; C71-C82 WeakPolarHBondContact SG-CB 3.42Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.35Å; N74-C82 WeakPolarHBondContact OD1-CB 3.38Å; N74-C82 PolarHBondContact OD1-N 3.4Å; N74-C82 VanDerWaalsContact OD1-N 3.15Å; N74-C82 PolarHBondContact OD1-O 3.36Å |
| 83 | H | 93.7 | Very high | 88.8 | Confident | 110 Ų | 110 | 81.8 Ų | 81.8 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 134.1 | 179.5 | -175 | -103.6 | 0 | 0 | 0 | 109.6 | V85 K86 Q88 | H83-V85 VanDerWaalsContact C-N 3.26Å; H83-V85 PolarHBondContact O-N 3.16Å; H83-K86 PolarHBondContact N-O 3.39Å; H83-K86 PolarHBondContact O-N 3.19Å; H83-K86 VanDerWaalsContact O-N 3.12Å; H83-Q88 HydrophobicContact CB-CG 3.64Å; H83-Q88 PolarHBondContact O-NE2 2.74Å |
| 84 | L | 91.7 | Very high | 87.4 | Confident | 137 Ų | 137 | 89 Ų | 89 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 43.8 | -173.6 | -59.9 | 167.7 | 0 | 0 | 0 | 112.1 | K86 | L84-K86 PolarHBondContact O-N 3.34Å; L84-K86 VanDerWaalsContact O-N 3.09Å |
| 85 | V | 91.7 | Very high | 85.9 | Confident | 95 Ų | 95 | 91.7 Ų | 91.7 | 58% | 0.576 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 18.8 | 179.5 | -160.6 | 0 | 0 | 0 | 0 | 112.5 | G70 C71 H83 | G70-V85 CarbonylContact C-O 3.57Å; G70-V85 WeakPolarHBondContact CA-O 2.9Å; C71-V85 PolarHBondContact N-O 3.49Å; C71-V85 WeakPolarHBondContact O-CG1 3.28Å; H83-V85 VanDerWaalsContact C-N 3.26Å; H83-V85 PolarHBondContact O-N 3.16Å |
| 86 | K | 93.4 | Very high | 84.6 | Confident | 102 Ų | 102 | 93.2 Ų | 93.2 | 44% | 0.443 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.4 | 179.1 | -69 | -175.5 | 177.6 | -172.8 | 0 | 111.9 | W69 C71 H83 L84 Q88 | W69-K86 CarbonylContact O-C 3.43Å; W69-K86 WeakPolarHBondContact O-CA 3.15Å; C71-K86 PolarHBondContact SG-O 2.93Å; H83-K86 PolarHBondContact N-O 3.39Å; H83-K86 PolarHBondContact O-N 3.19Å; H83-K86 VanDerWaalsContact O-N 3.12Å; L84-K86 PolarHBondContact O-N 3.34Å; L84-K86 VanDerWaalsContact O-N 3.09Å; K86-Q88 PolarHBondContact O-N 3.38Å |
| 87 | C | 93.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 98.9 Ų | 98.9 | 0% | 0 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 125.3 | 172.9 | -68.5 | 0 | 0 | 0 | 0 | 110.3 | L65 D66 D68 W69 C71 C77 I81 | L65-C87 VanDerWaalsContact CB-SG 3.55Å; D66-C87 WeakPolarHBondContact O-CB 3.37Å; D68-C87 PolarHBondContact N-O 2.58Å; W69-C87 PolarHBondContact O-N 2.98Å; C71-C87 PolarHBondContact SG-N 2.65Å; C71-C87 VanDerWaalsContact SG-N 3.36Å; C77-C87 WeakPolarHBondContact CA-SG 3.33Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.14Å; C77-C87 WeakPolarHBondContact SG-CA 3.06Å; C77-C87 WeakPolarHBondContact SG-CB 3.02Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 3.22Å; I81-C87 WeakPolarHBondContact O-CA 3.44Å |
| 88 | Q | 93.4 | Very high | 81.9 | Confident | 63 Ų | 63 | 111.6 Ų | 111.6 | 29% | 0.294 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 152 | 179.6 | -63.8 | -60.4 | -41.8 | 0 | 0 | 111 | S79 I81 H83 K86 | S79-Q88 WeakPolarHBondContact CB-O 3.38Å; S79-Q88 PolarHBondContact OG-O 3.02Å; I81-Q88 HydrophobicContact CB-CB 4.2Å; I81-Q88 HydrophobicContact CG2-CB 3.8Å; I81-Q88 HydrophobicContact CG2-CG 4.2Å; I81-Q88 PolarHBondContact O-N 3.16Å; H83-Q88 HydrophobicContact CB-CG 3.64Å; H83-Q88 PolarHBondContact O-NE2 2.74Å; K86-Q88 PolarHBondContact O-N 3.38Å |
| 89 | P | 91 | Very high | 81.3 | Confident | 72 Ų | 72 | 114.4 Ų | 114.4 | 47% | 0.468 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 143.7 | 172.3 | 28.3 | -32.9 | 0 | 0 | 0 | 111 | V67 K91 | V67-P89 HydrophobicContact CG1-CB 4.49Å; V67-P89 HydrophobicContact CG1-CG 4.48Å; V67-P89 HydrophobicContact CG2-CB 4.17Å; P89-K91 PolarHBondContact O-N 3.32Å; P89-K91 VanDerWaalsContact O-N 3.16Å |
| 90 | K | 83.6 | Confident | 80.8 | Confident | 141 Ų | 141 | 119.7 Ų | 119.7 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118.7 | 167.6 | -74.3 | -174.7 | -179.9 | 177.2 | 0 | 107.8 | S79 I81 K92 | S79-K90 WeakPolarHBondContact O-CE 3.25Å; S79-K90 WeakPolarHBondContact O-CG 3.37Å; I81-K90 HydrophobicContact CD1-CG 4.49Å; K90-K92 PolarHBondContact O-N 3.35Å |
| 91 | K | 75.7 | Confident | 80.1 | Confident | 191 Ų | 191 | 124.4 Ų | 124.4 | 83% | 0.83 | 60% | 0.595 | S | S | * | * | trans | -58.6 | 108.9 | 171.9 | -68.8 | -177.5 | -178.1 | 179.4 | 0 | 107.6 | P89 L93 | P89-K91 PolarHBondContact O-N 3.32Å; P89-K91 VanDerWaalsContact O-N 3.16Å; K91-L93 PolarHBondContact O-N 3.4Å | ||
| 92 | K | 66.7 | Low | 79.3 | Confident | 199 Ų | 199 | 128.2 Ų | 128.2 | 87% | 0.865 | 61% | 0.611 | S | S | * | * | trans | -66.1 | 103.8 | 162.1 | -71.1 | -159.2 | 179.4 | -171.9 | 0 | 105.4 | K90 K94 | K90-K92 PolarHBondContact O-N 3.35Å; K92-K94 PolarHBondContact O-N 3.5Å | ||
| 93 | L | 63.4 | Low | 78.4 | Confident | 152 Ų | 152 | 134.8 Ų | 134.8 | 80% | 0.796 | 64% | 0.64 | S | S | * | * | trans | -53 | 110.1 | 163.1 | -106.1 | 84.2 | 0 | 0 | 0 | 105.9 | K91 I95 | K91-L93 PolarHBondContact O-N 3.4Å; L93-I95 VanDerWaalsContact C-N 3.25Å; L93-I95 PolarHBondContact O-N 2.9Å | ||
| 94 | K | 61.2 | Low | 77.4 | Confident | 203 Ų | 203 | 136.5 Ų | 136.5 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | trans | -67.6 | 97.8 | 160.3 | -81.6 | -173.9 | 174.6 | -176.3 | 0 | 104.8 | K92 N96 | K92-K94 PolarHBondContact O-N 3.5Å; K94-N96 VanDerWaalsContact C-N 3.34Å; K94-N96 PolarHBondContact O-N 2.96Å | ||
| 95 | I | 61.4 | Low | 76.4 | Confident | 137 Ų | 137 | 136.4 Ų | 136.4 | 70% | 0.703 | 64% | 0.644 | S | S | * | * | trans | -65.4 | 104.6 | 166.4 | -57.4 | 170.2 | 0 | 0 | 0 | 104.6 | L93 I97 | L93-I95 VanDerWaalsContact C-N 3.25Å; L93-I95 PolarHBondContact O-N 2.9Å; I95-I97 HydrophobicContact CG2-CG1 3.8Å; I95-I97 PolarHBondContact O-N 2.96Å | ||
| 96 | N | 64.4 | Low | 75.2 | Confident | 132 Ų | 132 | 139.6 Ų | 139.6 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | trans | -78.3 | 97.5 | 170.9 | -159.6 | 23 | 0 | 0 | 0 | 105.8 | K94 Y98 | K94-N96 VanDerWaalsContact C-N 3.34Å; K94-N96 PolarHBondContact O-N 2.96Å; N96-Y98 PolarHBondContact O-N 3.48Å | ||
| 97 | I | 67.7 | Low | 73.7 | Confident | 148 Ų | 148 | 142.8 Ų | 142.8 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | trans | -80.5 | 104 | 171.8 | -60.7 | 173.1 | 0 | 0 | 0 | 105.8 | I95 | I95-I97 HydrophobicContact CG2-CG1 3.8Å; I95-I97 PolarHBondContact O-N 2.96Å | ||
| 98 | Y | 62.1 | Low | 71.9 | Confident | 275 Ų | 275 | 155.7 Ų | 155.7 | 100% | 1.078 | 73% | 0.727 | S | S | * | * | trans | -124.4 | 0 | 155.4 | -88.9 | -78.9 | 0 | 0 | 0 | 107.9 | N96 | N96-Y98 PolarHBondContact O-N 3.48Š|
Retrieved 98 of 98 residues in 90.7 ms
(Link to these results)