| 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 | T | 32.6 | Very low | 43.6 | Very low | 193 Ų | 193 | 107.5 Ų | 107.5 | 100% | 1.184 | 60% | 0.602 | S | S | * | * | 0 | 118.8 | 0 | -33.3 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 2 | L | 34.9 | Very low | 44.7 | Very low | 153 Ų | 153 | 108.3 Ų | 108.3 | 80% | 0.801 | 59% | 0.59 | S | S | * | * | trans | 19.8 | 101.9 | -176.9 | -104.1 | 82.3 | 0 | 0 | 0 | 116.6 | K4 | L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.29Å | ||
| 3 | C | 32 | Very low | 45.9 | Very low | 119 Ų | 119 | 112 Ų | 112 | 80% | 0.804 | 59% | 0.59 | S | S | * | * | trans | -61.8 | 96.7 | 161.6 | -62.7 | 0 | 0 | 0 | 0 | 108 | S5 | C3-S5 PolarHBondContact O-N 3.11Å; C3-S5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | K | 39.5 | Very low | 47.2 | Very low | 116 Ų | 116 | 108.1 Ų | 108.1 | 50% | 0.504 | 58% | 0.582 | S | S | . | * | trans | -61.9 | 115.4 | 179.7 | -112.2 | 175.1 | 174.7 | 167.3 | 0 | 108 | L2 D8 | L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.29Å; K4-D8 HydrophobicContact CB-CB 4.2Å; K4-D8 HydrophobicContact CD-CB 4.19Å; K4-D8 HydrophobicContact CG-CB 3.8Å | ||
| 5 | S | 44.1 | Very low | 48.4 | Very low | 63 Ų | 63 | 109.9 Ų | 109.9 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | trans | -51.1 | 144.6 | 178.3 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | C3 A7 D8 H9 | C3-S5 PolarHBondContact O-N 3.11Å; C3-S5 VanDerWaalsContact O-N 3.11Å; S5-A7 PolarHBondContact O-N 3.39Å; S5-D8 WeakPolarHBondContact O-CA 3.37Å; S5-D8 WeakPolarHBondContact O-CB 3.35Å; S5-D8 PolarHBondContact O-N 3.15Å; S5-H9 PolarHBondContact O-N 2.99Å | ||
| 6 | D | 43.1 | Very low | 49.2 | Very low | 137 Ų | 137 | 105.1 Ų | 105.1 | 73% | 0.733 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -49.4 | -26.1 | -179.3 | -67.9 | -50.8 | 0 | 0 | 0 | 114.2 | H9 A10 | D6-H9 WeakPolarHBondContact O-CB 3.18Å; D6-H9 PolarHBondContact O-N 2.84Å; D6-A10 PolarHBondContact O-N 3.35Å |
| 7 | A | 45.9 | Very low | 50 | Low | 37 Ų | 37 | 105.6 Ų | 105.6 | 31% | 0.306 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72.7 | -36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S5 H9 A10 Y11 K53 | S5-A7 PolarHBondContact O-N 3.39Å; A7-H9 PolarHBondContact O-N 2.6Å; A7-A10 PolarHBondContact O-N 3.08Å; A7-Y11 PolarHBondContact O-N 3.29Å; A7-K53 HydrophobicContact CB-CD 4.25Å; A7-K53 VanDerWaalsContact CB-CE 3.47Å |
| 8 | D | 47 | Very low | 50.8 | Low | 75 Ų | 75 | 106.1 Ų | 106.1 | 40% | 0.401 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.6 | -34.5 | 170.5 | -73.4 | -23.3 | 0 | 0 | 0 | 109.7 | K4 S5 Y12 | K4-D8 HydrophobicContact CB-CB 4.2Å; K4-D8 HydrophobicContact CD-CB 4.19Å; K4-D8 HydrophobicContact CG-CB 3.8Å; S5-D8 WeakPolarHBondContact O-CA 3.37Å; S5-D8 WeakPolarHBondContact O-CB 3.35Å; S5-D8 PolarHBondContact O-N 3.15Å; D8-Y12 VanDerWaalsContact O-CB 3.28Å; D8-Y12 WeakPolarHBondContact O-CB 3.13Å; D8-Y12 PolarHBondContact O-N 2.87Å |
| 9 | H | 50.1 | Low | 51.3 | Low | 88 Ų | 88 | 102.9 Ų | 102.9 | 41% | 0.407 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 175.2 | -169.9 | -145.9 | 0 | 0 | 0 | 112 | S5 D6 A7 Y12 R13 | S5-H9 PolarHBondContact O-N 2.99Å; D6-H9 WeakPolarHBondContact O-CB 3.18Å; D6-H9 PolarHBondContact O-N 2.84Å; A7-H9 PolarHBondContact O-N 2.6Å; H9-Y12 PolarHBondContact O-N 2.96Å; H9-R13 VanDerWaalsContact CE1-CZ 3.45Å; H9-R13 PolarHBondContact CE1-NE 2.04Å; H9-R13 PolarHBondContact CE1-NH2 2.92Å; H9-R13 PolarHBondContact NE2-NE 2.02Å; H9-R13 WeakPolarHBondContact O-CB 3.01Å; H9-R13 VanDerWaalsContact O-CG 3.28Å; H9-R13 WeakPolarHBondContact O-CG 3.02Å; H9-R13 PolarHBondContact O-N 3.32Å |
| 10 | A | 53.3 | Low | 51.4 | Low | 58 Ų | 58 | 101 Ų | 101 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D6 A7 Y12 R13 A14 | D6-A10 PolarHBondContact O-N 3.35Å; A7-A10 PolarHBondContact O-N 3.08Å; A10-Y12 VanDerWaalsContact C-N 3.34Å; A10-R13 PolarHBondContact O-N 3.04Å; A10-A14 WeakPolarHBondContact O-CB 3.39Å; A10-A14 PolarHBondContact O-N 3.28Å |
| 11 | Y | 57.6 | Low | 51.8 | Low | 143 Ų | 143 | 101.7 Ų | 101.7 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 172.9 | 176 | -94.9 | 0 | 0 | 0 | 111.3 | A7 A14 R15 | A7-Y11 PolarHBondContact O-N 3.29Å; Y11-A14 PolarHBondContact O-N 3.49Å; Y11-R15 VanDerWaalsContact O-CB 3.25Å; Y11-R15 WeakPolarHBondContact O-CB 3.09Å; Y11-R15 PolarHBondContact O-N 3.04Å; Y11-R15 PolarHBondContact OH-NH1 3.41Å |
| 12 | Y | 56.4 | Low | 53.2 | Low | 118 Ų | 118 | 98.2 Ų | 98.2 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.5 | -120.6 | -99.5 | 0 | 0 | 0 | 111.5 | D8 H9 A10 R15 V16 | D8-Y12 VanDerWaalsContact O-CB 3.28Å; D8-Y12 WeakPolarHBondContact O-CB 3.13Å; D8-Y12 PolarHBondContact O-N 2.87Å; H9-Y12 PolarHBondContact O-N 2.96Å; A10-Y12 VanDerWaalsContact C-N 3.34Å; Y12-R15 PolarHBondContact O-N 2.86Å; Y12-V16 HydrophobicContact CD1-CG2 4.4Å; Y12-V16 WeakPolarHBondContact O-CB 3.47Å; Y12-V16 WeakPolarHBondContact O-CG2 2.87Å; Y12-V16 PolarHBondContact O-N 3.42Å |
| 13 | R | 59.8 | Low | 53.9 | Low | 156 Ų | 156 | 94 Ų | 94 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -46.8 | 176.1 | -77.7 | 177.8 | 175.2 | -160.1 | -5 | 111.8 | H9 A10 R15 V16 L17 | H9-R13 VanDerWaalsContact CE1-CZ 3.45Å; H9-R13 PolarHBondContact CE1-NE 2.04Å; H9-R13 PolarHBondContact CE1-NH2 2.92Å; H9-R13 PolarHBondContact NE2-NE 2.02Å; H9-R13 WeakPolarHBondContact O-CB 3.01Å; H9-R13 VanDerWaalsContact O-CG 3.28Å; H9-R13 WeakPolarHBondContact O-CG 3.02Å; H9-R13 PolarHBondContact O-N 3.32Å; A10-R13 PolarHBondContact O-N 3.04Å; R13-R15 VanDerWaalsContact C-N 3.28Å; R13-R15 PolarHBondContact O-N 3.49Å; R13-V16 PolarHBondContact O-N 3.25Å; R13-L17 WeakPolarHBondContact O-CB 3.47Å; R13-L17 WeakPolarHBondContact O-CG 3.02Å; R13-L17 PolarHBondContact O-N 3.45Å |
| 14 | A | 64.2 | Low | 54.6 | Low | 57 Ų | 57 | 92.5 Ų | 92.5 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A10 Y11 L17 L18 | A10-A14 WeakPolarHBondContact O-CB 3.39Å; A10-A14 PolarHBondContact O-N 3.28Å; Y11-A14 PolarHBondContact O-N 3.49Å; A14-L17 PolarHBondContact O-N 2.86Å; A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 PolarHBondContact O-N 3.48Å |
| 15 | R | 64.9 | Low | 55 | Low | 136 Ų | 136 | 92.7 Ų | 92.7 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 176.6 | -172.9 | 171.8 | 173.8 | 156.9 | -4.2 | 112.6 | Y11 Y12 R13 L18 L19 | Y11-R15 VanDerWaalsContact O-CB 3.25Å; Y11-R15 WeakPolarHBondContact O-CB 3.09Å; Y11-R15 PolarHBondContact O-N 3.04Å; Y11-R15 PolarHBondContact OH-NH1 3.41Å; Y12-R15 PolarHBondContact O-N 2.86Å; R13-R15 VanDerWaalsContact C-N 3.28Å; R13-R15 PolarHBondContact O-N 3.49Å; R15-L18 PolarHBondContact O-N 3.36Å; R15-L19 HydrophobicContact CG-CD1 4.08Å; R15-L19 WeakPolarHBondContact O-CB 3.03Å; R15-L19 VanDerWaalsContact O-CG 3.24Å; R15-L19 WeakPolarHBondContact O-CG 3.22Å; R15-L19 PolarHBondContact O-N 3.1Å |
| 16 | V | 61.2 | Low | 55.4 | Low | 32 Ų | 32 | 92.8 Ų | 92.8 | 19% | 0.194 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.5 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | Y12 R13 L19 S20 | Y12-V16 HydrophobicContact CD1-CG2 4.4Å; Y12-V16 WeakPolarHBondContact O-CB 3.47Å; Y12-V16 WeakPolarHBondContact O-CG2 2.87Å; Y12-V16 PolarHBondContact O-N 3.42Å; R13-V16 PolarHBondContact O-N 3.25Å; V16-L19 PolarHBondContact O-N 2.96Å; V16-S20 WeakPolarHBondContact O-CB 3.21Å; V16-S20 PolarHBondContact O-N 2.87Å; V16-S20 PolarHBondContact O-OG 2.83Å |
| 17 | L | 63.3 | Low | 55.3 | Low | 115 Ų | 115 | 92.8 Ų | 92.8 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 174.2 | -73.5 | 169.9 | 0 | 0 | 0 | 111.4 | R13 A14 L19 S20 T21 | R13-L17 WeakPolarHBondContact O-CB 3.47Å; R13-L17 WeakPolarHBondContact O-CG 3.02Å; R13-L17 PolarHBondContact O-N 3.45Å; A14-L17 PolarHBondContact O-N 2.86Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 2.03Å; L17-S20 WeakPolarHBondContact CA-OG 3.08Å; L17-S20 PolarHBondContact O-N 2.92Å; L17-S20 PolarHBondContact O-OG 3.08Å; L17-T21 PolarHBondContact O-N 3.18Å; L17-T21 PolarHBondContact O-OG1 2.59Å |
| 18 | L | 64.8 | Low | 55.3 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -33.4 | 177.6 | -158.3 | 109.2 | 0 | 0 | 0 | 113.1 | A14 R15 T21 L22 | A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 PolarHBondContact O-N 3.48Å; R15-L18 PolarHBondContact O-N 3.36Å; L18-T21 PolarHBondContact O-OG1 3.05Å; L18-L22 WeakPolarHBondContact O-CD1 3.17Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.4Å |
| 19 | L | 60.8 | Low | 55 | Low | 45 Ų | 45 | 98.3 Ų | 98.3 | 24% | 0.236 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -75.1 | -36.9 | 175.4 | -71.9 | 169.4 | 0 | 0 | 0 | 111.4 | R15 V16 L17 T21 L22 G23 I24 V26 | R15-L19 HydrophobicContact CG-CD1 4.08Å; R15-L19 WeakPolarHBondContact O-CB 3.03Å; R15-L19 VanDerWaalsContact O-CG 3.24Å; R15-L19 WeakPolarHBondContact O-CG 3.22Å; R15-L19 PolarHBondContact O-N 3.1Å; V16-L19 PolarHBondContact O-N 2.96Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 2.03Å; L19-T21 PolarHBondContact O-N 3.15Å; L19-L22 CarbonylContact O-C 3.51Å; L19-L22 WeakPolarHBondContact O-CA 3.15Å; L19-L22 WeakPolarHBondContact O-CB 3.28Å; L19-L22 PolarHBondContact O-N 2.72Å; L19-L22 VanDerWaalsContact O-N 3.09Å; L19-G23 PolarHBondContact O-N 3.1Å; L19-I24 HydrophobicContact CB-CB 4.28Å; L19-I24 HydrophobicContact CD2-CD1 3.79Å; L19-I24 WeakPolarHBondContact O-CB 3.37Å; L19-I24 PolarHBondContact O-N 3.36Å; L19-V26 HydrophobicContact CB-CG2 4.45Å; L19-V26 HydrophobicContact CD1-CG2 4.2Å |
| 20 | S | 51.7 | Low | 54.4 | Low | 64 Ų | 64 | 97.5 Ų | 97.5 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.2 | -35.8 | 176.6 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | V16 L17 L22 G23 | V16-S20 WeakPolarHBondContact O-CB 3.21Å; V16-S20 PolarHBondContact O-N 2.87Å; V16-S20 PolarHBondContact O-OG 2.83Å; L17-S20 WeakPolarHBondContact CA-OG 3.08Å; L17-S20 PolarHBondContact O-N 2.92Å; L17-S20 PolarHBondContact O-OG 3.08Å; S20-L22 PolarHBondContact O-N 3.37Å; S20-G23 PolarHBondContact O-N 2.94Å |
| 21 | T | 59.6 | Low | 53.8 | Low | 117 Ų | 117 | 100.2 Ų | 100.2 | 72% | 0.718 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.2 | -21.2 | 172 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | L17 L18 L19 G23 | L17-T21 PolarHBondContact O-N 3.18Å; L17-T21 PolarHBondContact O-OG1 2.59Å; L18-T21 PolarHBondContact O-OG1 3.05Å; L19-T21 PolarHBondContact O-N 3.15Å; T21-G23 VanDerWaalsContact C-N 3.3Å |
| 22 | L | 63 | Low | 52.8 | Low | 119 Ų | 119 | 101.1 Ų | 101.1 | 62% | 0.623 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 4.6 | 171.4 | -64.7 | 170.6 | 0 | 0 | 0 | 113 | L18 L19 S20 I24 | L18-L22 WeakPolarHBondContact O-CD1 3.17Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.4Å; L19-L22 CarbonylContact O-C 3.51Å; L19-L22 WeakPolarHBondContact O-CA 3.15Å; L19-L22 WeakPolarHBondContact O-CB 3.28Å; L19-L22 PolarHBondContact O-N 2.72Å; L19-L22 VanDerWaalsContact O-N 3.09Å; S20-L22 PolarHBondContact O-N 3.37Å; L22-I24 VanDerWaalsContact C-N 3.33Å; L22-I24 HydrophobicContact CB-CD1 4.17Å; L22-I24 HydrophobicContact CB-CG1 4.35Å |
| 23 | G | 48.8 | Very low | 51.6 | Low | 65 Ų | 65 | 104.4 Ų | 104.4 | 67% | 0.67 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.6 | 15.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L19 S20 T21 | L19-G23 PolarHBondContact O-N 3.1Å; S20-G23 PolarHBondContact O-N 2.94Å; T21-G23 VanDerWaalsContact C-N 3.3Å |
| 24 | I | 47.1 | Very low | 50.2 | Low | 88 Ų | 88 | 102.3 Ų | 102.3 | 45% | 0.451 | 61% | 0.61 | S | S | . | * | trans | -96.5 | 109.7 | -179.1 | -56.5 | 168.8 | 0 | 0 | 0 | 108.6 | L19 L22 | L19-I24 HydrophobicContact CB-CB 4.28Å; L19-I24 HydrophobicContact CD2-CD1 3.79Å; L19-I24 WeakPolarHBondContact O-CB 3.37Å; L19-I24 PolarHBondContact O-N 3.36Å; L22-I24 VanDerWaalsContact C-N 3.33Å; L22-I24 HydrophobicContact CB-CD1 4.17Å; L22-I24 HydrophobicContact CB-CG1 4.35Å | ||
| 25 | S | 48 | Very low | 48.5 | Very low | 120 Ų | 120 | 104.9 Ų | 104.9 | 84% | 0.839 | 62% | 0.624 | S | S | * | * | trans | -73.5 | 127.9 | 176 | -45 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 26 | V | 52.4 | Low | 47.1 | Very low | 65 Ų | 65 | 105.1 Ų | 105.1 | 39% | 0.394 | 64% | 0.641 | S | S | . | * | trans | -115.9 | 116.5 | 174 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | L19 | L19-V26 HydrophobicContact CB-CG2 4.45Å; L19-V26 HydrophobicContact CD1-CG2 4.2Å | ||
| 27 | D | 41.3 | Very low | 45.6 | Very low | 136 Ų | 136 | 109.1 Ų | 109.1 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | trans | -73.4 | 126 | 176.7 | -157.7 | -42.9 | 0 | 0 | 0 | 109.9 | S29 | D27-S29 WeakPolarHBondContact OD1-CB 3.03Å; D27-S29 PolarHBondContact OD1-N 2.52Å; D27-S29 PolarHBondContact OD1-OG 2.87Å | ||
| 28 | L | 45.8 | Very low | 43.8 | Very low | 119 Ų | 119 | 111 Ų | 111 | 62% | 0.623 | 68% | 0.681 | S | S | * | * | trans | -103.4 | 10.9 | -170.9 | -84.4 | 152.2 | 0 | 0 | 0 | 113.3 | G30 | L28-G30 PolarHBondContact O-N 3.49Š| ||
| 29 | S | 41.5 | Very low | 42.3 | Very low | 110 Ų | 110 | 110.7 Ų | 110.7 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 18.6 | -170.8 | 49 | 0 | 0 | 0 | 0 | 116.9 | D27 | D27-S29 WeakPolarHBondContact OD1-CB 3.03Å; D27-S29 PolarHBondContact OD1-N 2.52Å; D27-S29 PolarHBondContact OD1-OG 2.87Å |
| 30 | G | 36.8 | Very low | 40.7 | Very low | 70 Ų | 70 | 114.5 Ų | 114.5 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 3.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | L28 | L28-G30 PolarHBondContact O-N 3.49Š|
| 31 | T | 41.9 | Very low | 39.6 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | trans | -125.3 | 23.7 | -163.8 | 47.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 32 | D | 34.6 | Very low | 38.2 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | trans | -111.2 | 60.7 | 178.7 | -70.8 | -27.5 | 0 | 0 | 0 | 113.5 | ||||
| 33 | Q | 31.6 | Very low | 36.5 | Very low | 187 Ų | 187 | 123.9 Ų | 123.9 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -146.3 | 83.1 | 163.2 | -68.4 | -167.6 | 46.5 | 0 | 0 | 111.6 | ||||
| 34 | C | 31 | Very low | 35.7 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -107.5 | 89.9 | 163.9 | -80.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 35 | S | 28.7 | Very low | 35 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -96 | 107.2 | 167.8 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 36 | T | 35.5 | Very low | 34.4 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 87% | 0.871 | 75% | 0.747 | S | S | * | * | trans | -84 | 110.3 | 173.5 | 41.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 37 | S | 29.3 | Very low | 33.5 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -81.6 | 141.4 | 162.6 | -37.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 38 | D | 26.7 | Very low | 33.3 | Very low | 156 Ų | 156 | 126.5 Ų | 126.5 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -43.5 | 141.8 | 176.4 | -75.7 | -54.1 | 0 | 0 | 0 | 116.5 | ||||
| 39 | S | 31.3 | Very low | 33 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | 168.9 | 117.6 | 112.6 | -73.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 40 | T | 28.4 | Very low | 32.8 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | trans | 35.3 | 111.5 | 136.6 | 19 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 41 | S | 27.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 65.8 | 95.6 | 130.9 | -54.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 42 | K | 30.2 | Very low | 32.6 | Very low | 199 Ų | 199 | 137.3 Ų | 137.3 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | -178.2 | 104.5 | 100.3 | -93.2 | 179 | -174.1 | -177.3 | 0 | 108.5 | V44 | K42-V44 PolarHBondContact O-N 2.99Å; K42-V44 VanDerWaalsContact O-N 3.15Å | |||
| 43 | E | 28.5 | Very low | 32.9 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | trans | -59.6 | 108.1 | 168.6 | -69.5 | 170.1 | 119.5 | 0 | 0 | 109.6 | ||||
| 44 | V | 31.6 | Very low | 32.9 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | trans | -124.9 | 78.4 | 146 | -177.2 | 0 | 0 | 0 | 0 | 104.7 | K42 | K42-V44 PolarHBondContact O-N 2.99Å; K42-V44 VanDerWaalsContact O-N 3.15Å | ||
| 45 | E | 33.1 | Very low | 33.3 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 51% | 0.514 | 70% | 0.7 | S | S | . | * | trans | -68.5 | 128.4 | 176.3 | -161.9 | -167.7 | 153.2 | 0 | 0 | 109 | S47 R50 | E45-S47 PolarHBondContact O-N 2.74Å; E45-R50 WeakPolarHBondContact OE1-CD 3.42Å; E45-R50 IonicContact OE1-CZ 3.94Å; E45-R50 IonicContact OE1-NE 3.61Å; E45-R50 IonicContact OE1-NH1 3.6Å; E45-R50 PolarHBondContact OE1-NH1 3.47Å; E45-R50 IonicContact OE2-NH1 2.79Å | ||
| 46 | P | 34.5 | Very low | 33.8 | Very low | 95 Ų | 95 | 129 Ų | 129 | 62% | 0.617 | 69% | 0.688 | S | S | * | * | trans | -74.2 | 88.2 | 176 | 28.7 | -32.5 | 0 | 0 | 0 | 110.5 | V48 F49 | P46-V48 PolarHBondContact O-N 2.94Å; P46-V48 VanDerWaalsContact O-N 3.1Å; P46-F49 PolarHBondContact O-N 2.69Å | ||
| 47 | S | 34.1 | Very low | 34 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 59% | 0.594 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -57.2 | -19.8 | 177.9 | 38.2 | 0 | 0 | 0 | 0 | 114.6 | E45 F49 | E45-S47 PolarHBondContact O-N 2.74Å; S47-F49 PolarHBondContact O-N 3.49Å |
| 48 | V | 37 | Very low | 34.4 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.6 | -29.6 | -178.4 | -174.6 | 0 | 0 | 0 | 0 | 113.2 | P46 | P46-V48 PolarHBondContact O-N 2.94Å; P46-V48 VanDerWaalsContact O-N 3.1Å |
| 49 | F | 39.8 | Very low | 35 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 69% | 0.693 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -86.7 | -25.8 | -174.6 | -144.8 | -96.2 | 0 | 0 | 0 | 113.2 | P46 S47 | P46-F49 PolarHBondContact O-N 2.69Å; S47-F49 PolarHBondContact O-N 3.49Å |
| 50 | R | 36 | Very low | 35.2 | Very low | 173 Ų | 173 | 128.4 Ų | 128.4 | 65% | 0.653 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78.4 | -35.7 | -179.1 | -138.3 | 173.2 | -176 | 173.4 | -4.7 | 111.9 | E45 R52 K53 | E45-R50 WeakPolarHBondContact OE1-CD 3.42Å; E45-R50 IonicContact OE1-CZ 3.94Å; E45-R50 IonicContact OE1-NE 3.61Å; E45-R50 IonicContact OE1-NH1 3.6Å; E45-R50 PolarHBondContact OE1-NH1 3.47Å; E45-R50 IonicContact OE2-NH1 2.79Å; R50-R52 PolarHBondContact O-N 3.45Å; R50-K53 PolarHBondContact O-N 3.44Å |
| 51 | E | 33.8 | Very low | 35.4 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.1 | -33.2 | -175.9 | -156.1 | 163 | -167.4 | 0 | 0 | 112.9 | K53 H54 | E51-K53 VanDerWaalsContact C-N 3.34Å; E51-K53 PolarHBondContact O-N 3.43Å; E51-H54 PolarHBondContact O-N 3.37Å |
| 52 | R | 40.4 | Very low | 35.8 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.9 | -25.7 | 178.8 | -70.5 | -173.8 | 179.2 | -166.3 | 0.1 | 114.3 | R50 | R50-R52 PolarHBondContact O-N 3.45Å |
| 53 | K | 41.1 | Very low | 36.1 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 40% | 0.396 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -74 | -30.7 | 177.5 | -92.1 | -180 | 179.2 | 168.1 | 0 | 112.7 | A7 R50 E51 | A7-K53 HydrophobicContact CB-CD 4.25Å; A7-K53 VanDerWaalsContact CB-CE 3.47Å; R50-K53 PolarHBondContact O-N 3.44Å; E51-K53 VanDerWaalsContact C-N 3.34Å; E51-K53 PolarHBondContact O-N 3.43Å |
| 54 | H | 33.1 | Very low | 36.8 | Very low | 134 Ų | 134 | 129 Ų | 129 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.4 | -33.2 | 179.2 | -104 | -83.6 | 0 | 0 | 0 | 112.9 | E51 A56 | E51-H54 PolarHBondContact O-N 3.37Å; H54-A56 VanDerWaalsContact C-N 3.34Å; H54-A56 PolarHBondContact O-N 3.47Å |
| 55 | I | 38.4 | Very low | 37.2 | Very low | 108 Ų | 108 | 126 Ų | 126 | 55% | 0.554 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.8 | -35.3 | 179.6 | -59.3 | 171.9 | 0 | 0 | 0 | 111.2 | L57 | I55-L57 PolarHBondContact O-N 3.39Å |
| 56 | A | 39.4 | Very low | 37.2 | Very low | 64 Ų | 64 | 131.3 Ų | 131.3 | 53% | 0.529 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -71.6 | -26.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | H54 | H54-A56 VanDerWaalsContact C-N 3.34Å; H54-A56 PolarHBondContact O-N 3.47Å |
| 57 | L | 40.4 | Very low | 37.6 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 81% | 0.812 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -87.2 | -21.7 | -178.3 | -89 | 156.5 | 0 | 0 | 0 | 113.6 | I55 | I55-L57 PolarHBondContact O-N 3.39Å |
| 58 | Q | 36.9 | Very low | 38 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -84.2 | -17.9 | -177.7 | -77.6 | -173.4 | -18.2 | 0 | 0 | 114.2 | ||
| 59 | H | 38.7 | Very low | 38.6 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -111.2 | -0.5 | -167.7 | -76.7 | -126.5 | 0 | 0 | 0 | 115.3 | R61 | H59-R61 PolarHBondContact O-N 2.79Š|
| 60 | G | 35.1 | Very low | 38.9 | Very low | 58 Ų | 58 | 135.5 Ų | 135.5 | 60% | 0.598 | 69% | 0.691 | S | S | * | * | trans | -87.6 | 77.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V62 | G60-V62 PolarHBondContact O-N 3.21Š| ||
| 61 | R | 32.9 | Very low | 39.6 | Very low | 226 Ų | 226 | 131 Ų | 131 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | trans | -68.8 | 96.5 | 168.6 | -134.5 | -177.9 | -173.6 | 166.9 | 1.5 | 108.1 | H59 N63 | H59-R61 PolarHBondContact O-N 2.79Å; R61-N63 PolarHBondContact O-N 3.11Å | ||
| 62 | V | 37.8 | Very low | 40.5 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | trans | -69.7 | 93.4 | 175 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | G60 | G60-V62 PolarHBondContact O-N 3.21Š| ||
| 63 | N | 36.6 | Very low | 41.5 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 58% | 0.578 | 69% | 0.685 | S | S | * | * | trans | -90.3 | 104.5 | 169.2 | -79.1 | -19.8 | 0 | 0 | 0 | 109 | R61 G65 R66 | R61-N63 PolarHBondContact O-N 3.11Å; N63-G65 VanDerWaalsContact C-N 3.31Å; N63-G65 PolarHBondContact O-N 2.77Å; N63-R66 PolarHBondContact O-N 2.87Å | ||
| 64 | N | 42.8 | Very low | 42.6 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.2 | 44.2 | 164.3 | -68 | -4.5 | 0 | 0 | 0 | 116.7 | R66 | N64-R66 VanDerWaalsContact C-N 3.27Å; N64-R66 PolarHBondContact O-N 2.79Å |
| 65 | G | 39.4 | Very low | 45 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.2 | 6.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | N63 | N63-G65 VanDerWaalsContact C-N 3.31Å; N63-G65 PolarHBondContact O-N 2.77Å |
| 66 | R | 33.8 | Very low | 47.4 | Very low | 221 Ų | 221 | 127.5 Ų | 127.5 | 83% | 0.834 | 69% | 0.685 | S | S | * | * | trans | -103 | 116.1 | 167.4 | -69.3 | -176.6 | 106.8 | 119 | -1.6 | 108.8 | N63 N64 D68 | N63-R66 PolarHBondContact O-N 2.87Å; N64-R66 VanDerWaalsContact C-N 3.27Å; N64-R66 PolarHBondContact O-N 2.79Å; R66-D68 PolarHBondContact O-N 2.74Å; R66-D68 VanDerWaalsContact O-N 3.11Å | ||
| 67 | L | 42 | Very low | 49.9 | Very low | 167 Ų | 167 | 125 Ų | 125 | 87% | 0.874 | 66% | 0.663 | S | S | * | * | trans | -60.7 | 110.9 | 165.5 | -88.1 | 148.4 | 0 | 0 | 0 | 107.7 | L69 | L67-L69 PolarHBondContact O-N 2.81Š| ||
| 68 | D | 43.2 | Very low | 52.1 | Low | 109 Ų | 109 | 123.4 Ų | 123.4 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | trans | -75.9 | 100.9 | 173.9 | -169.7 | -6.6 | 0 | 0 | 0 | 108.7 | R66 S70 | R66-D68 PolarHBondContact O-N 2.74Å; R66-D68 VanDerWaalsContact O-N 3.11Å; D68-S70 VanDerWaalsContact CG-OG 3.25Å; D68-S70 PolarHBondContact O-N 3.13Å; D68-S70 VanDerWaalsContact OD1-CB 3.23Å; D68-S70 WeakPolarHBondContact OD1-CB 3.02Å; D68-S70 PolarHBondContact OD1-N 2.84Å; D68-S70 PolarHBondContact OD1-OG 3.45Å; D68-S70 PolarHBondContact OD2-OG 2.91Å | ||
| 69 | L | 49.2 | Very low | 54.3 | Low | 158 Ų | 158 | 123.8 Ų | 123.8 | 83% | 0.827 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -0.5 | 178 | -70.1 | 159.7 | 0 | 0 | 0 | 112.7 | L67 V71 | L67-L69 PolarHBondContact O-N 2.81Å; L69-V71 VanDerWaalsContact C-N 3.34Å |
| 70 | S | 46.2 | Very low | 56.4 | Low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -17.6 | 180 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | D68 S72 | D68-S70 VanDerWaalsContact CG-OG 3.25Å; D68-S70 PolarHBondContact O-N 3.13Å; D68-S70 VanDerWaalsContact OD1-CB 3.23Å; D68-S70 WeakPolarHBondContact OD1-CB 3.02Å; D68-S70 PolarHBondContact OD1-N 2.84Å; D68-S70 PolarHBondContact OD1-OG 3.45Å; D68-S70 PolarHBondContact OD2-OG 2.91Å; S70-S72 PolarHBondContact O-N 2.82Å |
| 71 | V | 50 | Low | 59 | Low | 78 Ų | 78 | 121.7 Ų | 121.7 | 47% | 0.473 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -76.6 | 118.7 | 168.9 | -171 | 0 | 0 | 0 | 0 | 106.8 | L69 D73 | L69-V71 VanDerWaalsContact C-N 3.34Å; V71-D73 HydrophobicContact CG1-CB 4.35Å; V71-D73 WeakPolarHBondContact CG1-OD2 3.49Å; V71-D73 PolarHBondContact O-N 2.81Å |
| 72 | S | 52.7 | Low | 61.9 | Low | 113 Ų | 113 | 112.3 Ų | 112.3 | 79% | 0.79 | 60% | 0.603 | S | S | * | * | trans | -68.3 | 45.8 | 179.8 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | S70 I74 | S70-S72 PolarHBondContact O-N 2.82Å; S72-I74 PolarHBondContact O-N 2.87Å | ||
| 73 | D | 61.4 | Low | 64.6 | Low | 104 Ų | 104 | 106.3 Ų | 106.3 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | trans | -92.2 | 31.4 | 174.6 | -71.7 | -17.3 | 0 | 0 | 0 | 110.8 | V71 K75 | V71-D73 HydrophobicContact CG1-CB 4.35Å; V71-D73 WeakPolarHBondContact CG1-OD2 3.49Å; V71-D73 PolarHBondContact O-N 2.81Å; D73-K75 VanDerWaalsContact C-N 3.32Å; D73-K75 PolarHBondContact O-N 3.36Å | ||
| 74 | I | 64 | Low | 67.3 | Low | 115 Ų | 115 | 104.2 Ų | 104.2 | 59% | 0.59 | 55% | 0.553 | S | S | * | * | trans | -66.2 | 99.1 | 169.9 | -61.7 | 179.6 | 0 | 0 | 0 | 106.9 | S72 Y76 T106 | S72-I74 PolarHBondContact O-N 2.87Å; I74-Y76 PolarHBondContact O-N 3.19Å; I74-T106 HydrophobicContact CG2-CG2 3.25Å | ||
| 75 | K | 84.3 | Confident | 69.7 | Low | 112 Ų | 112 | 98 Ų | 98 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 119.9 | 176.5 | -65.2 | -177 | -175.8 | 177.1 | 0 | 108.7 | D73 W104 C105 T106 | D73-K75 VanDerWaalsContact C-N 3.32Å; D73-K75 PolarHBondContact O-N 3.36Å; K75-W104 HydrophobicContact CB-CE3 4.15Å; K75-W104 HydrophobicContact CB-CZ3 3.65Å; K75-W104 HydrophobicContact CD-CE3 4.15Å; K75-W104 HydrophobicContact CD-CZ3 3.65Å; K75-W104 HydrophobicContact CG-CZ3 4.28Å; K75-C105 CarbonylContact O-C 3.58Å; K75-C105 WeakPolarHBondContact O-CA 3.23Å; K75-C105 VanDerWaalsContact O-CB 3.28Å; K75-C105 WeakPolarHBondContact O-CB 3.45Å; K75-T106 PolarHBondContact O-N 2.87Å |
| 76 | Y | 89.8 | Confident | 72.2 | Confident | 126 Ų | 126 | 94.5 Ų | 94.5 | 49% | 0.494 | 48% | 0.482 | S | S | . | . | B | Isolated β-bridge | trans | -70.9 | 140.9 | 171.8 | -65.4 | -61.5 | 0 | 0 | 0 | 110.9 | I74 T106 N108 | I74-Y76 PolarHBondContact O-N 3.19Å; Y76-T106 CarbonylContact C-O 3.5Å; Y76-T106 VanDerWaalsContact CA-O 3.22Å; Y76-T106 WeakPolarHBondContact CA-O 3.42Å; Y76-T106 HydrophobicContact CD1-CG2 4.14Å; Y76-T106 HydrophobicContact CE1-CG2 4.38Å; Y76-N108 WeakPolarHBondContact CB-OD1 3.22Å; Y76-N108 HydrophobicContact CD1-CB 4.4Å; Y76-N108 WeakPolarHBondContact CD1-OD1 3.28Å; Y76-N108 WeakPolarHBondContact CD2-OD1 3.46Å |
| 77 | C | 90.6 | Very high | 74.8 | Confident | 11 Ų | 11 | 87.4 Ų | 87.4 | 7% | 0.074 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 141.2 | 176.8 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | E81 C105 T106 | C77-E81 HydrophobicContact CB-CB 4.31Å; C77-C105 WeakPolarHBondContact CA-SG 3.16Å; C77-C105 HydrophobicContact CB-CB 3.88Å; C77-C105 WeakPolarHBondContact CB-SG 3.44Å; C77-C105 WeakPolarHBondContact SG-CB 3.44Å; C77-C105 PolarHBondContact SG-O 2.94Å; C77-C105 CovalentContact SG-SG 2.03Å; C77-C105 PolarHBondContact SG-SG 3.49Å; C77-T106 PolarHBondContact N-O 3.31Å; C77-T106 PolarHBondContact SG-N 3.38Å |
| 78 | F | 87.2 | Confident | 76.9 | Confident | 121 Ų | 121 | 85.3 Ų | 85.3 | 53% | 0.531 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 158.2 | 160.6 | -65.4 | -76 | 0 | 0 | 0 | 110.2 | T80 E81 | F78-T80 PolarHBondContact O-N 2.96Å; F78-T80 VanDerWaalsContact O-N 3.08Å; F78-E81 HydrophobicContact CB-CG 4.1Å; F78-E81 WeakPolarHBondContact CD2-OE2 3.23Å; F78-E81 PolarHBondContact N-OE2 3Å; F78-E81 WeakPolarHBondContact O-CB 3.35Å; F78-E81 PolarHBondContact O-N 2.96Å |
| 79 | E | 82.4 | Confident | 78.7 | Confident | 158 Ų | 158 | 86.1 Ų | 86.1 | 74% | 0.738 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.8 | -179 | -65 | 177.4 | 175.4 | 0 | 0 | 113.4 | ||
| 80 | T | 83 | Confident | 80.3 | Confident | 115 Ų | 115 | 84.4 Ų | 84.4 | 71% | 0.706 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -9.6 | 179.1 | 57 | 0 | 0 | 0 | 0 | 113.5 | F78 | F78-T80 PolarHBondContact O-N 2.96Å; F78-T80 VanDerWaalsContact O-N 3.08Å |
| 81 | E | 90.5 | Very high | 81.8 | Confident | 45 Ų | 45 | 82.2 Ų | 82.2 | 21% | 0.21 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -93 | 136.2 | -175.7 | -70.3 | -179.9 | 158.9 | 0 | 0 | 111.6 | C77 F78 C83 W104 | C77-E81 HydrophobicContact CB-CB 4.31Å; F78-E81 HydrophobicContact CB-CG 4.1Å; F78-E81 WeakPolarHBondContact CD2-OE2 3.23Å; F78-E81 PolarHBondContact N-OE2 3Å; F78-E81 WeakPolarHBondContact O-CB 3.35Å; F78-E81 PolarHBondContact O-N 2.96Å; E81-C83 PolarHBondContact O-N 3.2Å; E81-W104 VanDerWaalsContact CD-CZ2 3.44Å; E81-W104 VanDerWaalsContact OE1-CZ2 3.28Å; E81-W104 WeakPolarHBondContact OE1-CZ2 3.28Å; E81-W104 WeakPolarHBondContact OE2-CH2 3.41Å; E81-W104 VanDerWaalsContact OE2-CZ2 3.23Å; E81-W104 WeakPolarHBondContact OE2-CZ2 3.08Å |
| 82 | P | 93.1 | Very high | 83.4 | Confident | 28 Ų | 28 | 87.7 Ų | 87.7 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 130.8 | 175.9 | 30.2 | -33.9 | 0 | 0 | 0 | 110.2 | F85 S103 I126 Y127 | P82-F85 HydrophobicContact CB-CE1 3.85Å; P82-F85 HydrophobicContact CB-CE2 4.15Å; P82-F85 HydrophobicContact CB-CZ 3.64Å; P82-F85 HydrophobicContact CG-CE1 3.7Å; P82-F85 HydrophobicContact CG-CE2 3.94Å; P82-F85 HydrophobicContact CG-CZ 3.19Å; P82-S103 WeakPolarHBondContact O-CB 3.39Å; P82-S103 PolarHBondContact O-OG 3.19Å; P82-I126 HydrophobicContact CB-CG2 3.71Å; P82-Y127 CarbonylContact C-O 3.43Å; P82-Y127 WeakPolarHBondContact CA-O 3.45Å |
| 83 | C | 94.3 | Very high | 84.9 | Confident | 6 Ų | 6 | 88.2 Ų | 88.2 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -29.6 | 172.7 | 52.1 | 0 | 0 | 0 | 0 | 112 | E81 S103 C107 C113 Y127 T128 | E81-C83 PolarHBondContact O-N 3.2Å; C83-S103 VanDerWaalsContact C-CB 3.48Å; C83-S103 WeakPolarHBondContact O-CB 3.39Å; C83-S103 PolarHBondContact O-N 3.4Å; C83-C107 VanDerWaalsContact SG-SG 3.7Å; C83-C113 HydrophobicContact CB-CB 3.99Å; C83-C113 WeakPolarHBondContact CB-SG 3.25Å; C83-C113 WeakPolarHBondContact SG-CA 3.4Å; C83-C113 WeakPolarHBondContact SG-CB 3.21Å; C83-C113 CovalentContact SG-SG 2.02Å; C83-C113 PolarHBondContact SG-SG 3.17Å; C83-Y127 PolarHBondContact N-O 2.79Å; C83-Y127 PolarHBondContact SG-O 2.81Å; C83-T128 VanDerWaalsContact SG-CA 3.53Å |
| 84 | Q | 94.5 | Very high | 85.7 | Confident | 64 Ų | 64 | 89.1 Ų | 89.1 | 30% | 0.299 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 159.3 | 175.1 | -66.4 | 174.7 | -7.4 | 0 | 0 | 111.6 | I100 I101 C113 Y127 | Q84-I100 HydrophobicContact CB-CG2 4.07Å; Q84-I100 HydrophobicContact CG-CG2 4.06Å; Q84-I101 WeakPolarHBondContact CA-O 3.49Å; Q84-C113 VanDerWaalsContact CG-SG 3.51Å; Q84-Y127 HydrophobicContact CB-CD2 4.21Å; Q84-Y127 HydrophobicContact CB-CG 4.14Å; Q84-Y127 PolarHBondContact N-O 3.01Å; Q84-Y127 PolarHBondContact O-N 2.84Å |
| 85 | F | 92.5 | Very high | 86.6 | Confident | 37 Ų | 37 | 88.9 Ų | 88.9 | 16% | 0.162 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.1 | 170.7 | -52.3 | -98.7 | 0 | 0 | 0 | 109.6 | P82 I101 E125 I126 | P82-F85 HydrophobicContact CB-CE1 3.85Å; P82-F85 HydrophobicContact CB-CE2 4.15Å; P82-F85 HydrophobicContact CB-CZ 3.64Å; P82-F85 HydrophobicContact CG-CE1 3.7Å; P82-F85 HydrophobicContact CG-CE2 3.94Å; P82-F85 HydrophobicContact CG-CZ 3.19Å; F85-I101 HydrophobicContact CB-CB 4.23Å; F85-I101 PolarHBondContact N-O 3.32Å; F85-I101 PolarHBondContact O-N 3.47Å; F85-E125 CarbonylContact C-O 3.48Å; F85-E125 VanDerWaalsContact CA-O 3.27Å; F85-E125 WeakPolarHBondContact CA-O 3.33Å; F85-I126 HydrophobicContact CD1-CD1 3.43Å; F85-I126 VanDerWaalsContact CD1-CD1 3.43Å; F85-I126 HydrophobicContact CE1-CD1 3.78Å |
| 86 | G | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y98 M99 A124 E125 | G86-Y98 VanDerWaalsContact CA-OH 3.31Å; G86-Y98 WeakPolarHBondContact CA-OH 3.15Å; G86-M99 WeakPolarHBondContact CA-O 3.4Å; G86-A124 CarbonylContact O-C 3.42Å; G86-A124 WeakPolarHBondContact O-CA 3.27Å; G86-A124 WeakPolarHBondContact O-CB 2.96Å; G86-E125 PolarHBondContact N-O 3.34Å; G86-E125 PolarHBondContact O-N 3.23Å |
| 87 | Q | 88.9 | Confident | 86.2 | Confident | 72 Ų | 72 | 86.7 Ų | 86.7 | 34% | 0.336 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138 | -178.8 | -168.4 | 177.1 | 33 | 0 | 0 | 111.7 | M99 R122 A124 | Q87-M99 PolarHBondContact N-O 3.41Å; Q87-M99 PolarHBondContact O-N 3.38Å; Q87-R122 PolarHBondContact NE2-O 2.78Å; Q87-A124 HydrophobicContact CB-CB 4.38Å |
| 88 | Y | 84.8 | Confident | 86 | Confident | 123 Ų | 123 | 89.8 Ų | 89.8 | 48% | 0.482 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 123 | 167.1 | -64.6 | -82.3 | 0 | 0 | 0 | 109.9 | L96 V97 Y98 W118 | Y88-L96 HydrophobicContact CD1-CB 4.46Å; Y88-V97 WeakPolarHBondContact CA-O 3.31Å; Y88-Y98 AromaticContact CD1-CD2 3.9Å; Y88-Y98 HydrophobicContact CD1-CD2 3.9Å; Y88-Y98 HydrophobicContact CD1-CG 4.5Å; Y88-Y98 HydrophobicContact CD2-CD2 4.12Å; Y88-Y98 AromaticContact CE1-CD2 3.62Å; Y88-Y98 HydrophobicContact CE1-CD2 3.62Å; Y88-Y98 HydrophobicContact CE1-CG 4.21Å; Y88-Y98 AromaticContact CE2-CD2 3.84Å; Y88-Y98 HydrophobicContact CE2-CD2 3.84Å; Y88-Y98 HydrophobicContact CE2-CE2 4.12Å; Y88-Y98 HydrophobicContact CG-CD2 4.15Å; Y88-Y98 AromaticContact CZ-CD2 3.58Å; Y88-W118 HydrophobicContact CD2-CH2 4.45Å |
| 89 | K | 82.3 | Confident | 86 | Confident | 125 Ų | 125 | 87.4 Ų | 87.4 | 54% | 0.543 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.4 | 169.9 | 178.5 | 175.5 | 176.4 | -174.3 | 0 | 109.6 | S91 V97 M99 | K89-S91 PolarHBondContact O-N 2.87Å; K89-V97 PolarHBondContact N-O 3.33Å; K89-V97 PolarHBondContact O-N 2.89Å; K89-M99 HydrophobicContact CB-CE 3.59Å; K89-M99 HydrophobicContact CB-SD 4.22Å; K89-M99 HydrophobicContact CD-CE 3.4Å; K89-M99 VanDerWaalsContact CD-CE 3.4Å; K89-M99 HydrophobicContact CD-SD 3.96Å; K89-M99 HydrophobicContact CG-CE 4.12Å |
| 90 | Q | 81.9 | Confident | 86.4 | Confident | 122 Ų | 122 | 83.5 Ų | 83.5 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.5 | 169.7 | -168.1 | 169.2 | 6.6 | 0 | 0 | 109.1 | D94 L96 | Q90-D94 PolarHBondContact NE2-OD1 3.41Å; Q90-L96 HydrophobicContact CB-CD2 4.4Å |
| 91 | S | 79.2 | Confident | 86.7 | Confident | 52 Ų | 52 | 81.4 Ų | 81.4 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | trans | -78.2 | 169.1 | 171.3 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | K89 N93 D94 L95 | K89-S91 PolarHBondContact O-N 2.87Å; S91-N93 PolarHBondContact O-N 3.11Å; S91-N93 VanDerWaalsContact O-N 3.14Å; S91-D94 PolarHBondContact O-N 2.86Å; S91-D94 VanDerWaalsContact O-N 3.17Å; S91-L95 WeakPolarHBondContact CB-O 3.44Å; S91-L95 PolarHBondContact N-O 2.83Å | ||
| 92 | Q | 81.5 | Confident | 86.6 | Confident | 192 Ų | 192 | 84.1 Ų | 84.1 | 90% | 0.897 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.1 | 179.8 | -67.4 | 179.7 | -7.2 | 0 | 0 | 113.5 | D94 | Q92-D94 VanDerWaalsContact C-N 3.35Š|
| 93 | N | 84.8 | Confident | 86.4 | Confident | 124 Ų | 124 | 84 Ų | 84 | 66% | 0.663 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 23 | -178.6 | -60.8 | -6.3 | 0 | 0 | 0 | 112.9 | S91 L95 | S91-N93 PolarHBondContact O-N 3.11Å; S91-N93 VanDerWaalsContact O-N 3.14Å; N93-L95 HydrophobicContact CB-CD1 4.34Å; N93-L95 HydrophobicContact CB-CG 4.31Å; N93-L95 PolarHBondContact O-N 2.81Å |
| 94 | D | 79.2 | Confident | 86.1 | Confident | 123 Ų | 123 | 91.1 Ų | 91.1 | 66% | 0.658 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 58.5 | 10.5 | -172.6 | -65.1 | -43.8 | 0 | 0 | 0 | 115.3 | Q90 S91 Q92 | Q90-D94 PolarHBondContact NE2-OD1 3.41Å; S91-D94 PolarHBondContact O-N 2.86Å; S91-D94 VanDerWaalsContact O-N 3.17Å; Q92-D94 VanDerWaalsContact C-N 3.35Å |
| 95 | L | 81.8 | Confident | 85.9 | Confident | 111 Ų | 111 | 88.6 Ų | 88.6 | 58% | 0.581 | 44% | 0.439 | S | S | * | . | trans | -79 | 129 | 173.3 | -65.5 | 174.3 | 0 | 0 | 0 | 109.9 | S91 N93 V97 | S91-L95 WeakPolarHBondContact CB-O 3.44Å; S91-L95 PolarHBondContact N-O 2.83Å; N93-L95 HydrophobicContact CB-CD1 4.34Å; N93-L95 HydrophobicContact CB-CG 4.31Å; N93-L95 PolarHBondContact O-N 2.81Å; L95-V97 PolarHBondContact O-N 3.37Å | ||
| 96 | L | 79.9 | Confident | 85.8 | Confident | 125 Ų | 125 | 90.1 Ų | 90.1 | 65% | 0.654 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 118.7 | 169.8 | -67.1 | 175.1 | 0 | 0 | 0 | 109.3 | Y88 Q90 | Y88-L96 HydrophobicContact CD1-CB 4.46Å; Q90-L96 HydrophobicContact CB-CD2 4.4Å |
| 97 | V | 86.1 | Confident | 85.9 | Confident | 67 Ų | 67 | 90.9 Ų | 90.9 | 41% | 0.406 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | Y88 K89 L95 M99 | Y88-V97 WeakPolarHBondContact CA-O 3.31Å; K89-V97 PolarHBondContact N-O 3.33Å; K89-V97 PolarHBondContact O-N 2.89Å; L95-V97 PolarHBondContact O-N 3.37Å; V97-M99 HydrophobicContact CG1-CG 4.21Å |
| 98 | Y | 86.6 | Confident | 86 | Confident | 76 Ų | 76 | 90.3 Ų | 90.3 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.5 | 173.5 | -172.8 | -100.8 | 0 | 0 | 0 | 109.7 | G86 Y88 I100 E125 Y127 | G86-Y98 VanDerWaalsContact CA-OH 3.31Å; G86-Y98 WeakPolarHBondContact CA-OH 3.15Å; Y88-Y98 AromaticContact CD1-CD2 3.9Å; Y88-Y98 HydrophobicContact CD1-CD2 3.9Å; Y88-Y98 HydrophobicContact CD1-CG 4.5Å; Y88-Y98 HydrophobicContact CD2-CD2 4.12Å; Y88-Y98 AromaticContact CE1-CD2 3.62Å; Y88-Y98 HydrophobicContact CE1-CD2 3.62Å; Y88-Y98 HydrophobicContact CE1-CG 4.21Å; Y88-Y98 AromaticContact CE2-CD2 3.84Å; Y88-Y98 HydrophobicContact CE2-CD2 3.84Å; Y88-Y98 HydrophobicContact CE2-CE2 4.12Å; Y88-Y98 HydrophobicContact CG-CD2 4.15Å; Y88-Y98 AromaticContact CZ-CD2 3.58Å; Y98-I100 HydrophobicContact CD1-CD1 4.37Å; Y98-I100 HydrophobicContact CE1-CD1 3.45Å; Y98-I100 VanDerWaalsContact CE1-CD1 3.45Å; Y98-I100 HydrophobicContact CE1-CG1 4.21Å; Y98-E125 PolarHBondContact OH-OE2 3.26Å; Y98-Y127 PolarHBondContact OH-OH 3.28Å |
| 99 | M | 87.6 | Confident | 86.1 | Confident | 71 Ų | 71 | 89 Ų | 89 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.8 | -178.9 | -60.4 | -168.5 | -46.9 | 0 | 0 | 110.5 | G86 Q87 K89 V97 | G86-M99 WeakPolarHBondContact CA-O 3.4Å; Q87-M99 PolarHBondContact N-O 3.41Å; Q87-M99 PolarHBondContact O-N 3.38Å; K89-M99 HydrophobicContact CB-CE 3.59Å; K89-M99 HydrophobicContact CB-SD 4.22Å; K89-M99 HydrophobicContact CD-CE 3.4Å; K89-M99 VanDerWaalsContact CD-CE 3.4Å; K89-M99 HydrophobicContact CD-SD 3.96Å; K89-M99 HydrophobicContact CG-CE 4.12Å; V97-M99 HydrophobicContact CG1-CG 4.21Å |
| 100 | I | 90.1 | Very high | 86.6 | Confident | 76 Ų | 76 | 89.8 Ų | 89.8 | 39% | 0.39 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.1 | 170.5 | -61.2 | -61.2 | 0 | 0 | 0 | 109.2 | Q84 Y98 Y127 | Q84-I100 HydrophobicContact CB-CG2 4.07Å; Q84-I100 HydrophobicContact CG-CG2 4.06Å; Y98-I100 HydrophobicContact CD1-CD1 4.37Å; Y98-I100 HydrophobicContact CE1-CD1 3.45Å; Y98-I100 VanDerWaalsContact CE1-CD1 3.45Å; Y98-I100 HydrophobicContact CE1-CG1 4.21Å; I100-Y127 HydrophobicContact CD1-CE2 4.18Å |
| 101 | I | 88.9 | Confident | 87.1 | Confident | 70 Ų | 70 | 85.5 Ų | 85.5 | 36% | 0.359 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.6 | 175.5 | -54.5 | 171.8 | 0 | 0 | 0 | 107.5 | Q84 F85 | Q84-I101 WeakPolarHBondContact CA-O 3.49Å; F85-I101 HydrophobicContact CB-CB 4.23Å; F85-I101 PolarHBondContact N-O 3.32Å; F85-I101 PolarHBondContact O-N 3.47Å |
| 102 | P | 88.5 | Confident | 87.8 | Confident | 102 Ų | 102 | 84.5 Ų | 84.5 | 66% | 0.662 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 147.8 | 175.8 | 28.9 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 103 | S | 90.1 | Very high | 88.4 | Confident | 27 Ų | 27 | 77.1 Ų | 77.1 | 19% | 0.189 | 41% | 0.412 | C | S | . | . | trans | -82.3 | 178.6 | 170.2 | -164.9 | 0 | 0 | 0 | 0 | 111.7 | P82 C83 C105 | P82-S103 WeakPolarHBondContact O-CB 3.39Å; P82-S103 PolarHBondContact O-OG 3.19Å; C83-S103 VanDerWaalsContact C-CB 3.48Å; C83-S103 WeakPolarHBondContact O-CB 3.39Å; C83-S103 PolarHBondContact O-N 3.4Å; S103-C105 VanDerWaalsContact C-N 3.25Å | ||
| 104 | W | 86.9 | Confident | 88.8 | Confident | 155 Ų | 155 | 75.3 Ų | 75.3 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -78.3 | -11.9 | 175.3 | 63.9 | -89.7 | 0 | 0 | 0 | 113.1 | K75 E81 | K75-W104 HydrophobicContact CB-CE3 4.15Å; K75-W104 HydrophobicContact CB-CZ3 3.65Å; K75-W104 HydrophobicContact CD-CE3 4.15Å; K75-W104 HydrophobicContact CD-CZ3 3.65Å; K75-W104 HydrophobicContact CG-CZ3 4.28Å; E81-W104 VanDerWaalsContact CD-CZ2 3.44Å; E81-W104 VanDerWaalsContact OE1-CZ2 3.28Å; E81-W104 WeakPolarHBondContact OE1-CZ2 3.28Å; E81-W104 WeakPolarHBondContact OE2-CH2 3.41Å; E81-W104 VanDerWaalsContact OE2-CZ2 3.23Å; E81-W104 WeakPolarHBondContact OE2-CZ2 3.08Å |
| 105 | C | 89.9 | Confident | 89.5 | Confident | 11 Ų | 11 | 73.3 Ų | 73.3 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -119.4 | 163.6 | 179.6 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | K75 C77 S103 | K75-C105 CarbonylContact O-C 3.58Å; K75-C105 WeakPolarHBondContact O-CA 3.23Å; K75-C105 VanDerWaalsContact O-CB 3.28Å; K75-C105 WeakPolarHBondContact O-CB 3.45Å; C77-C105 WeakPolarHBondContact CA-SG 3.16Å; C77-C105 HydrophobicContact CB-CB 3.88Å; C77-C105 WeakPolarHBondContact CB-SG 3.44Å; C77-C105 WeakPolarHBondContact SG-CB 3.44Å; C77-C105 PolarHBondContact SG-O 2.94Å; C77-C105 CovalentContact SG-SG 2.03Å; C77-C105 PolarHBondContact SG-SG 3.49Å; S103-C105 VanDerWaalsContact C-N 3.25Å |
| 106 | T | 92 | Very high | 90 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 162 | 174.7 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | I74 K75 Y76 C77 | I74-T106 HydrophobicContact CG2-CG2 3.25Å; K75-T106 PolarHBondContact O-N 2.87Å; Y76-T106 CarbonylContact C-O 3.5Å; Y76-T106 VanDerWaalsContact CA-O 3.22Å; Y76-T106 WeakPolarHBondContact CA-O 3.42Å; Y76-T106 HydrophobicContact CD1-CG2 4.14Å; Y76-T106 HydrophobicContact CE1-CG2 4.38Å; C77-T106 PolarHBondContact N-O 3.31Å; C77-T106 PolarHBondContact SG-N 3.38Å |
| 107 | C | 92.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 71.7 Ų | 71.7 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | trans | -74.2 | 153.7 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | C83 Q111 C129 | C83-C107 VanDerWaalsContact SG-SG 3.7Å; C107-Q111 HydrophobicContact CB-CB 3.89Å; C107-C129 WeakPolarHBondContact CA-SG 3.45Å; C107-C129 HydrophobicContact CB-CB 3.75Å; C107-C129 WeakPolarHBondContact CB-SG 3.25Å; C107-C129 WeakPolarHBondContact SG-CA 3.34Å; C107-C129 WeakPolarHBondContact SG-CB 3.49Å; C107-C129 CovalentContact SG-SG 2.04Å; C107-C129 PolarHBondContact SG-SG 3.2Å | ||
| 108 | N | 90.3 | Very high | 91.1 | Very high | 60 Ų | 60 | 74 Ų | 74 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | trans | -63.6 | 163.9 | 172.1 | -67.6 | -1.3 | 0 | 0 | 0 | 110.9 | Y76 H110 Q111 | Y76-N108 WeakPolarHBondContact CB-OD1 3.22Å; Y76-N108 HydrophobicContact CD1-CB 4.4Å; Y76-N108 WeakPolarHBondContact CD1-OD1 3.28Å; Y76-N108 WeakPolarHBondContact CD2-OD1 3.46Å; N108-H110 PolarHBondContact O-N 2.94Å; N108-H110 VanDerWaalsContact O-N 3.08Å; N108-Q111 HydrophobicContact CB-CG 4.44Å; N108-Q111 PolarHBondContact O-N 2.81Å; N108-Q111 VanDerWaalsContact O-O 3.14Å | ||
| 109 | S | 88.9 | Confident | 91.3 | Very high | 96 Ų | 96 | 72.5 Ų | 72.5 | 67% | 0.671 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.4 | 175 | 50.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 110 | H | 91.3 | Very high | 91.4 | Very high | 141 Ų | 141 | 79.3 Ų | 79.3 | 65% | 0.653 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 0.4 | 180 | -55.8 | -65.2 | 0 | 0 | 0 | 113.7 | N108 N132 | N108-H110 PolarHBondContact O-N 2.94Å; N108-H110 VanDerWaalsContact O-N 3.08Å; H110-N132 PolarHBondContact O-N 3.5Å; H110-N132 VanDerWaalsContact O-N 3.15Å |
| 111 | Q | 93.5 | Very high | 91.4 | Very high | 31 Ų | 31 | 82.3 Ų | 82.3 | 15% | 0.145 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 154 | -175.9 | -69.8 | 175.6 | -37.2 | 0 | 0 | 110.5 | C107 N108 C129 Q130 | C107-Q111 HydrophobicContact CB-CB 3.89Å; N108-Q111 HydrophobicContact CB-CG 4.44Å; N108-Q111 PolarHBondContact O-N 2.81Å; N108-Q111 VanDerWaalsContact O-O 3.14Å; Q111-C129 HydrophobicContact CB-CB 4.24Å; Q111-Q130 CarbonylContact C-O 3.46Å; Q111-Q130 WeakPolarHBondContact CA-O 3.47Å; Q111-Q130 WeakPolarHBondContact CB-O 3.45Å |
| 112 | S | 93.8 | Very high | 91.2 | Very high | 32 Ų | 32 | 86.1 Ų | 86.1 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.8 | 167.6 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | Q114 Q130 N132 | S112-Q114 PolarHBondContact O-N 3.22Å; S112-Q114 WeakPolarHBondContact OG-CG 3.4Å; S112-Q114 PolarHBondContact OG-NE2 2.96Å; S112-Q130 PolarHBondContact N-O 2.98Å; S112-Q130 PolarHBondContact O-N 3.33Å; S112-N132 WeakPolarHBondContact CB-OD1 3.39Å; S112-N132 PolarHBondContact N-OD1 2.67Å; S112-N132 PolarHBondContact OG-OD1 3.28Å |
| 113 | C | 93.9 | Very high | 91.2 | Very high | 36 Ų | 36 | 88.3 Ų | 88.3 | 24% | 0.243 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 102.7 | 174.8 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | C83 Q84 Y127 | C83-C113 HydrophobicContact CB-CB 3.99Å; C83-C113 WeakPolarHBondContact CB-SG 3.25Å; C83-C113 WeakPolarHBondContact SG-CA 3.4Å; C83-C113 WeakPolarHBondContact SG-CB 3.21Å; C83-C113 CovalentContact SG-SG 2.02Å; C83-C113 PolarHBondContact SG-SG 3.17Å; Q84-C113 VanDerWaalsContact CG-SG 3.51Å; C113-Y127 WeakPolarHBondContact SG-CB 3.44Å |
| 114 | Q | 93.6 | Very high | 91.2 | Very high | 87 Ų | 87 | 87.2 Ų | 87.2 | 41% | 0.407 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 155.6 | -175.8 | -61.9 | -166.8 | 15 | 0 | 0 | 111.3 | S112 D116 Y127 T128 Q130 | S112-Q114 PolarHBondContact O-N 3.22Å; S112-Q114 WeakPolarHBondContact OG-CG 3.4Å; S112-Q114 PolarHBondContact OG-NE2 2.96Å; Q114-D116 PolarHBondContact O-N 2.82Å; Q114-Y127 CarbonylContact O-C 3.48Å; Q114-Y127 WeakPolarHBondContact O-CA 3.21Å; Q114-Y127 WeakPolarHBondContact O-CB 3.41Å; Q114-T128 PolarHBondContact N-O 3.14Å; Q114-T128 PolarHBondContact O-N 2.9Å; Q114-Q130 HydrophobicContact CB-CG 4.38Å |
| 115 | V | 93.2 | Very high | 91.6 | Very high | 80 Ų | 80 | 82.3 Ų | 82.3 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 127.7 | 177 | 66.6 | 0 | 0 | 0 | 0 | 109.3 | E125 Y127 Q130 | V115-E125 HydrophobicContact CG2-CB 4.29Å; V115-E125 HydrophobicContact CG2-CG 4.44Å; V115-Y127 HydrophobicContact CB-CD1 4.16Å; V115-Y127 HydrophobicContact CB-CE1 3.87Å; V115-Y127 VanDerWaalsContact N-CD1 3.26Å; V115-Q130 PolarHBondContact O-NE2 3.09Å |
| 116 | D | 93.1 | Very high | 91.8 | Very high | 75 Ų | 75 | 82 Ų | 82 | 40% | 0.401 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -52.4 | -178.6 | 173.6 | 52.6 | 0 | 0 | 0 | 110.5 | Q114 I126 T128 | Q114-D116 PolarHBondContact O-N 2.82Å; D116-I126 PolarHBondContact N-O 3.36Å; D116-T128 HydrophobicContact CB-CG2 3.85Å; D116-T128 WeakPolarHBondContact CB-OG1 3.39Å |
| 117 | R | 94 | Very high | 92 | Very high | 128 Ų | 128 | 80.6 Ų | 80.6 | 48% | 0.483 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 160.1 | -175 | 63 | -174.1 | -177.2 | -98.8 | 3.9 | 112.8 | I126 | R117-I126 HydrophobicContact CG-CB 3.81Å; R117-I126 HydrophobicContact CG-CG1 4.07Å; R117-I126 HydrophobicContact CG-CG2 4.4Å; R117-I126 PolarHBondContact N-O 3.49Å; R117-I126 WeakPolarHBondContact O-CA 3.37Å; R117-I126 WeakPolarHBondContact O-CB 3.28Å; R117-I126 PolarHBondContact O-N 3.02Å |
| 118 | W | 94 | Very high | 92.1 | Very high | 115 Ų | 115 | 80.1 Ų | 80.1 | 44% | 0.436 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.5 | 169.7 | 175.3 | -102.1 | 0 | 0 | 0 | 111 | Y88 R120 K123 E125 | Y88-W118 HydrophobicContact CD2-CH2 4.45Å; W118-R120 PolarHBondContact O-N 2.72Å; W118-K123 HydrophobicContact CH2-CB 4.24Å; W118-K123 WeakPolarHBondContact CH2-O 3.49Å; W118-K123 HydrophobicContact CZ2-CB 3.88Å; W118-E125 HydrophobicContact CE3-CB 4.29Å; W118-E125 HydrophobicContact CE3-CG 3.5Å; W118-E125 VanDerWaalsContact CE3-N 3.27Å; W118-E125 HydrophobicContact CZ3-CG 3.79Å; W118-E125 VanDerWaalsContact CZ3-N 3.33Å |
| 119 | D | 91.7 | Very high | 92.3 | Very high | 45 Ų | 45 | 77.7 Ų | 77.7 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 109.1 | 170.5 | -174.7 | -31.1 | 0 | 0 | 0 | 109.7 | V121 R122 K123 A124 I126 | D119-V121 VanDerWaalsContact C-N 3.33Å; D119-V121 PolarHBondContact O-N 3.3Å; D119-V121 WeakPolarHBondContact OD1-CA 3.31Å; D119-V121 WeakPolarHBondContact OD1-CB 3.39Å; D119-V121 PolarHBondContact OD1-N 2.88Å; D119-R122 HydrophobicContact CB-CB 4.12Å; D119-R122 PolarHBondContact OD1-N 3.41Å; D119-R122 VanDerWaalsContact OD2-CD 3.25Å; D119-R122 WeakPolarHBondContact OD2-CD 3.41Å; D119-R122 WeakPolarHBondContact OD2-CG 3.24Å; D119-R122 IonicContact OD2-NE 3.71Å; D119-K123 VanDerWaalsContact O-CA 3.22Å; D119-K123 WeakPolarHBondContact O-CA 3.36Å; D119-K123 PolarHBondContact O-N 3.25Å; D119-A124 PolarHBondContact N-O 2.86Å; D119-A124 PolarHBondContact O-N 3.35Å; D119-A124 VanDerWaalsContact O-N 3.13Å; D119-I126 HydrophobicContact CB-CD1 3.9Å; D119-I126 HydrophobicContact CB-CG1 3.9Å |
| 120 | R | 89.1 | Confident | 92.5 | Very high | 214 Ų | 214 | 76 Ų | 76 | 81% | 0.808 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30.4 | -179.9 | -66.1 | -176.5 | 179.4 | -178.3 | 0.3 | 113.6 | W118 | W118-R120 PolarHBondContact O-N 2.72Š|
| 121 | V | 89.2 | Confident | 92.5 | Very high | 138 Ų | 138 | 72.8 Ų | 72.8 | 84% | 0.836 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -43.5 | -178.3 | -180 | 0 | 0 | 0 | 0 | 109.4 | D119 K123 | D119-V121 VanDerWaalsContact C-N 3.33Å; D119-V121 PolarHBondContact O-N 3.3Å; D119-V121 WeakPolarHBondContact OD1-CA 3.31Å; D119-V121 WeakPolarHBondContact OD1-CB 3.39Å; D119-V121 PolarHBondContact OD1-N 2.88Å; V121-K123 VanDerWaalsContact C-N 3.34Å |
| 122 | R | 85 | Confident | 91.8 | Very high | 151 Ų | 151 | 75.8 Ų | 75.8 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15.1 | 177.1 | -62.6 | -177.2 | -178 | -150.4 | -0.9 | 113.4 | Q87 D119 A124 | Q87-R122 PolarHBondContact NE2-O 2.78Å; D119-R122 HydrophobicContact CB-CB 4.12Å; D119-R122 PolarHBondContact OD1-N 3.41Å; D119-R122 VanDerWaalsContact OD2-CD 3.25Å; D119-R122 WeakPolarHBondContact OD2-CD 3.41Å; D119-R122 WeakPolarHBondContact OD2-CG 3.24Å; D119-R122 IonicContact OD2-NE 3.71Å; R122-A124 VanDerWaalsContact C-N 3.3Å; R122-A124 HydrophobicContact CB-CB 4.11Å |
| 123 | K | 88.5 | Confident | 90.6 | Very high | 147 Ų | 147 | 81.5 Ų | 81.5 | 64% | 0.639 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 52.7 | -169.1 | -58.4 | -178.3 | -179.4 | -179.1 | 0 | 110.5 | W118 D119 V121 | W118-K123 HydrophobicContact CH2-CB 4.24Å; W118-K123 WeakPolarHBondContact CH2-O 3.49Å; W118-K123 HydrophobicContact CZ2-CB 3.88Å; D119-K123 VanDerWaalsContact O-CA 3.22Å; D119-K123 WeakPolarHBondContact O-CA 3.36Å; D119-K123 PolarHBondContact O-N 3.25Å; V121-K123 VanDerWaalsContact C-N 3.34Å |
| 124 | A | 91.5 | Very high | 88.3 | Confident | 4 Ų | 4 | 92.6 Ų | 92.6 | 3% | 0.033 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 142.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G86 Q87 D119 R122 | G86-A124 CarbonylContact O-C 3.42Å; G86-A124 WeakPolarHBondContact O-CA 3.27Å; G86-A124 WeakPolarHBondContact O-CB 2.96Å; Q87-A124 HydrophobicContact CB-CB 4.38Å; D119-A124 PolarHBondContact N-O 2.86Å; D119-A124 PolarHBondContact O-N 3.35Å; D119-A124 VanDerWaalsContact O-N 3.13Å; R122-A124 VanDerWaalsContact C-N 3.3Å; R122-A124 HydrophobicContact CB-CB 4.11Å |
| 125 | E | 94.4 | Very high | 88 | Confident | 52 Ų | 52 | 92.9 Ų | 92.9 | 24% | 0.243 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 131.1 | 165.7 | -71 | 179.3 | 176 | 0 | 0 | 108.4 | F85 G86 Y98 V115 W118 Y127 | F85-E125 CarbonylContact C-O 3.48Å; F85-E125 VanDerWaalsContact CA-O 3.27Å; F85-E125 WeakPolarHBondContact CA-O 3.33Å; G86-E125 PolarHBondContact N-O 3.34Å; G86-E125 PolarHBondContact O-N 3.23Å; Y98-E125 PolarHBondContact OH-OE2 3.26Å; V115-E125 HydrophobicContact CG2-CB 4.29Å; V115-E125 HydrophobicContact CG2-CG 4.44Å; W118-E125 HydrophobicContact CE3-CB 4.29Å; W118-E125 HydrophobicContact CE3-CG 3.5Å; W118-E125 VanDerWaalsContact CE3-N 3.27Å; W118-E125 HydrophobicContact CZ3-CG 3.79Å; W118-E125 VanDerWaalsContact CZ3-N 3.33Å; E125-Y127 HydrophobicContact CB-CD2 4.37Å; E125-Y127 HydrophobicContact CB-CE2 3.71Å; E125-Y127 PolarHBondContact OE2-OH 3.27Å; E125-Y127 VanDerWaalsContact OE2-OH 3.1Å |
| 126 | I | 94.8 | Very high | 87.7 | Confident | 5 Ų | 5 | 93.6 Ų | 93.6 | 3% | 0.026 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124 | 177.1 | -51.5 | -57 | 0 | 0 | 0 | 106.8 | P82 F85 D116 R117 D119 | P82-I126 HydrophobicContact CB-CG2 3.71Å; F85-I126 HydrophobicContact CD1-CD1 3.43Å; F85-I126 VanDerWaalsContact CD1-CD1 3.43Å; F85-I126 HydrophobicContact CE1-CD1 3.78Å; D116-I126 PolarHBondContact N-O 3.36Å; R117-I126 HydrophobicContact CG-CB 3.81Å; R117-I126 HydrophobicContact CG-CG1 4.07Å; R117-I126 HydrophobicContact CG-CG2 4.4Å; R117-I126 PolarHBondContact N-O 3.49Å; R117-I126 WeakPolarHBondContact O-CA 3.37Å; R117-I126 WeakPolarHBondContact O-CB 3.28Å; R117-I126 PolarHBondContact O-N 3.02Å; D119-I126 HydrophobicContact CB-CD1 3.9Å; D119-I126 HydrophobicContact CB-CG1 3.9Å |
| 127 | Y | 95.1 | Very high | 87.4 | Confident | 38 Ų | 38 | 94.6 Ų | 94.6 | 15% | 0.149 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.3 | 175.5 | -64.5 | -112.1 | 0 | 0 | 0 | 109.1 | P82 C83 Q84 Y98 I100 C113 Q114 V115 E125 | P82-Y127 CarbonylContact C-O 3.43Å; P82-Y127 WeakPolarHBondContact CA-O 3.45Å; C83-Y127 PolarHBondContact N-O 2.79Å; C83-Y127 PolarHBondContact SG-O 2.81Å; Q84-Y127 HydrophobicContact CB-CD2 4.21Å; Q84-Y127 HydrophobicContact CB-CG 4.14Å; Q84-Y127 PolarHBondContact N-O 3.01Å; Q84-Y127 PolarHBondContact O-N 2.84Å; Y98-Y127 PolarHBondContact OH-OH 3.28Å; I100-Y127 HydrophobicContact CD1-CE2 4.18Å; C113-Y127 WeakPolarHBondContact SG-CB 3.44Å; Q114-Y127 CarbonylContact O-C 3.48Å; Q114-Y127 WeakPolarHBondContact O-CA 3.21Å; Q114-Y127 WeakPolarHBondContact O-CB 3.41Å; V115-Y127 HydrophobicContact CB-CD1 4.16Å; V115-Y127 HydrophobicContact CB-CE1 3.87Å; V115-Y127 VanDerWaalsContact N-CD1 3.26Å; E125-Y127 HydrophobicContact CB-CD2 4.37Å; E125-Y127 HydrophobicContact CB-CE2 3.71Å; E125-Y127 PolarHBondContact OE2-OH 3.27Å; E125-Y127 VanDerWaalsContact OE2-OH 3.1Å |
| 128 | T | 94.6 | Very high | 87.1 | Confident | 8 Ų | 8 | 92.6 Ų | 92.6 | 5% | 0.049 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 162.9 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | C83 Q114 D116 Q130 | C83-T128 VanDerWaalsContact SG-CA 3.53Å; Q114-T128 PolarHBondContact N-O 3.14Å; Q114-T128 PolarHBondContact O-N 2.9Å; D116-T128 HydrophobicContact CB-CG2 3.85Å; D116-T128 WeakPolarHBondContact CB-OG1 3.39Å; T128-Q130 PolarHBondContact O-N 3.03Å |
| 129 | C | 94.5 | Very high | 86.6 | Confident | 8 Ų | 8 | 91.3 Ų | 91.3 | 5% | 0.054 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 113.7 | 178 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | C107 Q111 | C107-C129 WeakPolarHBondContact CA-SG 3.45Å; C107-C129 HydrophobicContact CB-CB 3.75Å; C107-C129 WeakPolarHBondContact CB-SG 3.25Å; C107-C129 WeakPolarHBondContact SG-CA 3.34Å; C107-C129 WeakPolarHBondContact SG-CB 3.49Å; C107-C129 CovalentContact SG-SG 2.04Å; C107-C129 PolarHBondContact SG-SG 3.2Å; Q111-C129 HydrophobicContact CB-CB 4.24Å |
| 130 | Q | 92.8 | Very high | 86.3 | Confident | 62 Ų | 62 | 94.3 Ų | 94.3 | 29% | 0.29 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.2 | 178.2 | -60.1 | -178 | 18.7 | 0 | 0 | 109.5 | Q111 S112 Q114 V115 T128 | Q111-Q130 CarbonylContact C-O 3.46Å; Q111-Q130 WeakPolarHBondContact CA-O 3.47Å; Q111-Q130 WeakPolarHBondContact CB-O 3.45Å; S112-Q130 PolarHBondContact N-O 2.98Å; S112-Q130 PolarHBondContact O-N 3.33Å; Q114-Q130 HydrophobicContact CB-CG 4.38Å; V115-Q130 PolarHBondContact O-NE2 3.09Å; T128-Q130 PolarHBondContact O-N 3.03Å |
| 131 | S | 91.2 | Very high | 86.1 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 50% | 0.503 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 135.9 | 177.7 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | L133 | S131-L133 PolarHBondContact O-N 2.93Å; S131-L133 VanDerWaalsContact O-N 3.11Å |
| 132 | N | 79.3 | Confident | 85.8 | Confident | 94 Ų | 94 | 81.8 Ų | 81.8 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | trans | -78.6 | 15.9 | 178.6 | -61.2 | -31.3 | 0 | 0 | 0 | 113.6 | H110 S112 E134 | H110-N132 PolarHBondContact O-N 3.5Å; H110-N132 VanDerWaalsContact O-N 3.15Å; S112-N132 WeakPolarHBondContact CB-OD1 3.39Å; S112-N132 PolarHBondContact N-OD1 2.67Å; S112-N132 PolarHBondContact OG-OD1 3.28Å; N132-E134 PolarHBondContact O-N 3.35Å | ||
| 133 | L | 69.4 | Low | 85.9 | Confident | 153 Ų | 153 | 76 Ų | 76 | 80% | 0.801 | 38% | 0.379 | S | S | * | . | trans | -87.8 | 91.2 | -178.8 | -78.7 | 140.4 | 0 | 0 | 0 | 108.7 | S131 | S131-L133 PolarHBondContact O-N 2.93Å; S131-L133 VanDerWaalsContact O-N 3.11Å | ||
| 134 | E | 44.9 | Very low | 85.7 | Confident | 269 Ų | 269 | 69.5 Ų | 69.5 | 100% | 1.257 | 36% | 0.355 | S | S | * | . | trans | -81.3 | 0 | 150.3 | -76.5 | -173.6 | 137.2 | 0 | 0 | 110.4 | N132 | N132-E134 PolarHBondContact O-N 3.35Š|
Retrieved 134 of 134 residues in 97.5 ms
(Link to these results)