| 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 | 60.6 | Low | 78.3 | Confident | 211 Ų | 211 | 93.6 Ų | 93.6 | 100% | 1.039 | 59% | 0.587 | S | S | * | * | 0 | -54.3 | 0 | -94.6 | 159.8 | -107.7 | 0 | 0 | 113 | A3 A4 V5 | M1-A3 PolarHBondContact O-N 3.21Å; M1-A4 PolarHBondContact O-N 3.25Å; M1-V5 WeakPolarHBondContact O-CG2 3.25Å; M1-V5 PolarHBondContact O-N 3.32Å | |||
| 2 | A | 68.3 | Low | 79.3 | Confident | 83 Ų | 83 | 95.7 Ų | 95.7 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -55.2 | -42.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A4 V5 A6 | A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 2.71Å; A2-V5 PolarHBondContact O-N 3.06Å; A2-A6 PolarHBondContact O-N 3.28Å |
| 3 | A | 71.6 | Confident | 80.1 | Confident | 83 Ų | 83 | 96.5 Ų | 96.5 | 69% | 0.686 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.7 | -34.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 A7 | M1-A3 PolarHBondContact O-N 3.21Å; A3-A7 WeakPolarHBondContact O-CB 3.29Å; A3-A7 PolarHBondContact O-N 3.26Å; A3-A7 VanDerWaalsContact O-N 3.12Å |
| 4 | A | 74.4 | Confident | 80.4 | Confident | 69 Ų | 69 | 93 Ų | 93 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.5 | -36.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 A2 A7 A8 | M1-A4 PolarHBondContact O-N 3.25Å; A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 2.71Å; A4-A7 PolarHBondContact O-N 3.44Å; A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 3.38Å |
| 5 | V | 78.1 | Confident | 80.6 | Confident | 86 Ų | 86 | 89.9 Ų | 89.9 | 52% | 0.521 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.2 | -42.7 | 176.4 | -179 | 0 | 0 | 0 | 0 | 110.9 | M1 A2 A7 A8 L9 | M1-V5 WeakPolarHBondContact O-CG2 3.25Å; M1-V5 PolarHBondContact O-N 3.32Å; A2-V5 PolarHBondContact O-N 3.06Å; V5-A7 PolarHBondContact O-N 3.31Å; V5-A8 PolarHBondContact O-N 2.69Å; V5-L9 HydrophobicContact CG1-CD1 4.09Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 2.89Å |
| 6 | A | 80.8 | Confident | 80.6 | Confident | 59 Ų | 59 | 93.3 Ų | 93.3 | 49% | 0.488 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.6 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A2 L9 A10 | A2-A6 PolarHBondContact O-N 3.28Å; A6-L9 PolarHBondContact O-N 3.4Å; A6-A10 WeakPolarHBondContact O-CB 3.47Å; A6-A10 PolarHBondContact O-N 3.03Å |
| 7 | A | 80.8 | Confident | 80.5 | Confident | 42 Ų | 42 | 94.5 Ų | 94.5 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.7 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A3 A4 V5 R11 | A3-A7 WeakPolarHBondContact O-CB 3.29Å; A3-A7 PolarHBondContact O-N 3.26Å; A3-A7 VanDerWaalsContact O-N 3.12Å; A4-A7 PolarHBondContact O-N 3.44Å; V5-A7 PolarHBondContact O-N 3.31Å; A7-R11 VanDerWaalsContact O-CG 3.3Å; A7-R11 WeakPolarHBondContact O-CG 3.39Å; A7-R11 PolarHBondContact O-N 3.15Å; A7-R11 VanDerWaalsContact O-N 3.09Å |
| 8 | A | 84.6 | Confident | 80.1 | Confident | 47 Ų | 47 | 96 Ų | 96 | 39% | 0.388 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.4 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A4 V5 R11 L12 | A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 3.38Å; V5-A8 PolarHBondContact O-N 2.69Å; A8-R11 PolarHBondContact O-N 2.81Å; A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 2.84Å |
| 9 | L | 86.4 | Confident | 79.4 | Confident | 99 Ų | 99 | 97.7 Ų | 97.7 | 52% | 0.518 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -42.8 | 175.6 | -76.5 | 164.6 | 0 | 0 | 0 | 112.1 | V5 A6 R11 L12 L13 | V5-L9 HydrophobicContact CG1-CD1 4.09Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 2.89Å; A6-L9 PolarHBondContact O-N 3.4Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.27Å; L9-L13 WeakPolarHBondContact O-CB 3.2Å; L9-L13 PolarHBondContact O-N 3.07Å |
| 10 | A | 87.8 | Confident | 78.6 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.3 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A6 A14 | A6-A10 WeakPolarHBondContact O-CB 3.47Å; A6-A10 PolarHBondContact O-N 3.03Å; A10-A14 VanDerWaalsContact O-CB 3.32Å; A10-A14 WeakPolarHBondContact O-CB 3.17Å; A10-A14 PolarHBondContact O-N 2.88Å |
| 11 | R | 88.6 | Confident | 77.6 | Confident | 193 Ų | 193 | 95.7 Ų | 95.7 | 73% | 0.728 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.2 | -40.9 | 175.4 | -73.7 | 171.7 | 180 | 165.1 | 0.5 | 112.4 | A7 A8 L9 A14 A15 | A7-R11 VanDerWaalsContact O-CG 3.3Å; A7-R11 WeakPolarHBondContact O-CG 3.39Å; A7-R11 PolarHBondContact O-N 3.15Å; A7-R11 VanDerWaalsContact O-N 3.09Å; A8-R11 PolarHBondContact O-N 2.81Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.48Å; R11-A14 PolarHBondContact O-N 2.87Å; R11-A15 WeakPolarHBondContact O-CB 3.43Å; R11-A15 PolarHBondContact O-N 2.84Å |
| 12 | L | 89.8 | Confident | 77.4 | Confident | 118 Ų | 118 | 92.4 Ų | 92.4 | 62% | 0.618 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.3 | -43.2 | 176.2 | -75.6 | 164.3 | 0 | 0 | 0 | 111.7 | A8 L9 A15 F16 | A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 2.84Å; L9-L12 PolarHBondContact O-N 3.27Å; L12-A15 PolarHBondContact O-N 2.84Å; L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 3.34Å |
| 13 | L | 89.1 | Confident | 76.7 | Confident | 106 Ų | 106 | 93.5 Ų | 93.5 | 56% | 0.555 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.4 | -45.1 | 174.1 | -91 | 158 | 0 | 0 | 0 | 111.9 | L9 A15 F16 L17 | L9-L13 WeakPolarHBondContact O-CB 3.2Å; L9-L13 PolarHBondContact O-N 3.07Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-A15 PolarHBondContact O-N 2.69Å; L13-F16 PolarHBondContact O-N 2.91Å; L13-L17 WeakPolarHBondContact O-CB 3.25Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.86Å |
| 14 | A | 84.8 | Confident | 76 | Confident | 48 Ų | 48 | 91.6 Ų | 91.6 | 40% | 0.397 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A10 R11 L17 L18 | A10-A14 VanDerWaalsContact O-CB 3.32Å; A10-A14 WeakPolarHBondContact O-CB 3.17Å; A10-A14 PolarHBondContact O-N 2.88Å; R11-A14 PolarHBondContact O-N 2.87Å; A14-L17 PolarHBondContact O-N 3.08Å; A14-L18 WeakPolarHBondContact O-CB 3.15Å; A14-L18 WeakPolarHBondContact O-CD1 3.39Å; A14-L18 VanDerWaalsContact O-CG 3.3Å; A14-L18 WeakPolarHBondContact O-CG 3.4Å; A14-L18 PolarHBondContact O-N 3.14Å |
| 15 | A | 83.1 | Confident | 75.2 | Confident | 46 Ų | 46 | 90.3 Ų | 90.3 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R11 L12 L13 L18 L19 | R11-A15 WeakPolarHBondContact O-CB 3.43Å; R11-A15 PolarHBondContact O-N 2.84Å; L12-A15 PolarHBondContact O-N 2.84Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-A15 PolarHBondContact O-N 2.69Å; A15-L18 PolarHBondContact O-N 2.99Å; A15-L19 VanDerWaalsContact O-CD1 3.3Å; A15-L19 WeakPolarHBondContact O-CD1 3.15Å; A15-L19 PolarHBondContact O-N 2.99Å |
| 16 | F | 81.4 | Confident | 74.8 | Confident | 144 Ų | 144 | 90.8 Ų | 90.8 | 63% | 0.632 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 176.8 | -175.8 | -103.5 | 0 | 0 | 0 | 112.1 | L12 L13 L18 L19 A20 | L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 3.34Å; L13-F16 PolarHBondContact O-N 2.91Å; F16-L18 VanDerWaalsContact C-N 3.34Å; F16-L18 PolarHBondContact O-N 3.12Å; F16-L19 PolarHBondContact O-N 3.04Å; F16-A20 WeakPolarHBondContact O-CB 3.5Å; F16-A20 PolarHBondContact O-N 2.95Å |
| 17 | L | 78.3 | Confident | 74.8 | Confident | 115 Ų | 115 | 93.9 Ų | 93.9 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.5 | -38.6 | 175 | -71 | 170.1 | 0 | 0 | 0 | 112.1 | L13 A14 A20 A21 | L13-L17 WeakPolarHBondContact O-CB 3.25Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.86Å; A14-L17 PolarHBondContact O-N 3.08Å; L17-A20 PolarHBondContact O-N 2.83Å; L17-A21 PolarHBondContact O-N 3.19Å |
| 18 | L | 73.2 | Confident | 74.9 | Confident | 121 Ų | 121 | 92.5 Ų | 92.5 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.9 | -36.7 | 175.6 | -77.6 | 163.4 | 0 | 0 | 0 | 112.6 | A14 A15 F16 | A14-L18 WeakPolarHBondContact O-CB 3.15Å; A14-L18 WeakPolarHBondContact O-CD1 3.39Å; A14-L18 VanDerWaalsContact O-CG 3.3Å; A14-L18 WeakPolarHBondContact O-CG 3.4Å; A14-L18 PolarHBondContact O-N 3.14Å; A15-L18 PolarHBondContact O-N 2.99Å; F16-L18 VanDerWaalsContact C-N 3.34Å; F16-L18 PolarHBondContact O-N 3.12Å |
| 19 | L | 67 | Low | 74.9 | Confident | 129 Ų | 129 | 94.9 Ų | 94.9 | 68% | 0.675 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.2 | -38.2 | 173.9 | -98.2 | 82.6 | 0 | 0 | 0 | 112.2 | A15 F16 A21 Q22 | A15-L19 VanDerWaalsContact O-CD1 3.3Å; A15-L19 WeakPolarHBondContact O-CD1 3.15Å; A15-L19 PolarHBondContact O-N 2.99Å; F16-L19 PolarHBondContact O-N 3.04Å; L19-A21 VanDerWaalsContact C-N 3.26Å; L19-A21 PolarHBondContact O-N 3.23Å; L19-Q22 WeakPolarHBondContact O-CG 3.18Å; L19-Q22 PolarHBondContact O-N 2.85Å |
| 20 | A | 62.6 | Low | 75 | Confident | 76 Ų | 76 | 91.7 Ų | 91.7 | 63% | 0.628 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.4 | -23.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F16 L17 Q22 | F16-A20 WeakPolarHBondContact O-CB 3.5Å; F16-A20 PolarHBondContact O-N 2.95Å; L17-A20 PolarHBondContact O-N 2.83Å; A20-Q22 VanDerWaalsContact C-N 3.32Å |
| 21 | A | 59.2 | Low | 75 | Confident | 76 Ų | 76 | 91.9 Ų | 91.9 | 63% | 0.628 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 4.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L17 L19 V23 | L17-A21 PolarHBondContact O-N 3.19Å; L19-A21 VanDerWaalsContact C-N 3.26Å; L19-A21 PolarHBondContact O-N 3.23Å; A21-V23 PolarHBondContact O-N 2.85Å |
| 22 | Q | 56 | Low | 75 | Confident | 143 Ų | 143 | 84.7 Ų | 84.7 | 67% | 0.668 | 48% | 0.475 | S | S | * | . | trans | -69.5 | 114.3 | 179.1 | -62.6 | -75.7 | -11.7 | 0 | 0 | 109.9 | L19 A20 A24 | L19-Q22 WeakPolarHBondContact O-CG 3.18Å; L19-Q22 PolarHBondContact O-N 2.85Å; A20-Q22 VanDerWaalsContact C-N 3.32Å; Q22-A24 PolarHBondContact O-N 2.87Å | ||
| 23 | V | 54 | Low | 74.9 | Confident | 105 Ų | 105 | 82.5 Ų | 82.5 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | trans | -77.3 | 111.4 | 167.9 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | A21 C25 | A21-V23 PolarHBondContact O-N 2.85Å; V23-C25 PolarHBondContact O-N 2.88Å | ||
| 24 | A | 56.2 | Low | 74.8 | Confident | 43 Ų | 43 | 81 Ų | 81 | 36% | 0.355 | 47% | 0.465 | S | S | . | . | trans | -65.4 | 106.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q22 N49 P50 | Q22-A24 PolarHBondContact O-N 2.87Å; A24-N49 PolarHBondContact O-OD1 3.47Å; A24-P50 HydrophobicContact CB-CG 4.26Å | ||
| 25 | C | 57.6 | Low | 74.6 | Confident | 43 Ų | 43 | 86.5 Ų | 86.5 | 29% | 0.291 | 48% | 0.483 | S | S | . | . | trans | -106.2 | 120.3 | 164.5 | -164.6 | 0 | 0 | 0 | 0 | 107.5 | V23 Q125 | V23-C25 PolarHBondContact O-N 2.88Å; C25-Q125 VanDerWaalsContact SG-CD 3.55Å; C25-Q125 PolarHBondContact SG-NE2 2.97Å; C25-Q125 PolarHBondContact SG-OE1 2.99Å | ||
| 26 | E | 70.5 | Confident | 74.4 | Confident | 96 Ų | 96 | 88.8 Ų | 88.8 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 160.7 | 172.5 | -73.6 | -172.3 | 176.2 | 0 | 0 | 110.3 | Y48 P50 | E26-Y48 HydrophobicContact CB-CD1 4.15Å; E26-Y48 HydrophobicContact CB-CE1 3.47Å; E26-Y48 VanDerWaalsContact CB-CE1 3.47Å; E26-Y48 PolarHBondContact N-O 3.38Å; E26-Y48 WeakPolarHBondContact O-CD1 3.08Å; E26-Y48 PolarHBondContact O-N 2.92Å; E26-Y48 PolarHBondContact OE2-OH 3.05Å; E26-P50 HydrophobicContact CB-CG 4.35Å; E26-P50 HydrophobicContact CG-CG 3.89Å |
| 27 | Y | 80.8 | Confident | 73.8 | Confident | 123 Ų | 123 | 85 Ų | 85 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.2 | 175.1 | -67.6 | -84.3 | 0 | 0 | 0 | 109.8 | I46 L47 Y48 A128 L131 | Y27-I46 CarbonylContact C-O 3.44Å; Y27-I46 WeakPolarHBondContact CA-O 3.15Å; Y27-L47 HydrophobicContact CD1-CD2 3.73Å; Y27-L47 HydrophobicContact CE1-CD2 3.34Å; Y27-L47 HydrophobicContact CE1-CG 4.33Å; Y27-Y48 WeakPolarHBondContact O-CE1 3.45Å; Y27-A128 WeakPolarHBondContact OH-CB 3.33Å; Y27-L131 HydrophobicContact CE1-CD1 3.81Å |
| 28 | G | 82.6 | Confident | 73.1 | Confident | 14 Ų | 14 | 82 Ų | 82 | 14% | 0.144 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 174.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | C45 I46 | G28-C45 WeakPolarHBondContact O-CA 3.33Å; G28-I46 VanDerWaalsContact C-CG1 3.44Å; G28-I46 PolarHBondContact N-O 3.33Å; G28-I46 WeakPolarHBondContact O-CG1 3.49Å; G28-I46 PolarHBondContact O-N 2.62Å |
| 29 | M | 84.9 | Confident | 72.8 | Confident | 96 Ų | 96 | 82.4 Ų | 82.4 | 47% | 0.473 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.7 | 173.7 | -174.7 | 178.5 | -81.4 | 0 | 0 | 110.1 | D43 Y44 L59 | M29-D43 HydrophobicContact CE-CB 4.33Å; M29-D43 HydrophobicContact CG-CB 4.16Å; M29-D43 HydrophobicContact SD-CB 3.99Å; M29-Y44 CarbonylContact C-O 3.49Å; M29-Y44 WeakPolarHBondContact CA-O 3.44Å; M29-L59 HydrophobicContact CG-CD2 4.5Å; M29-L59 HydrophobicContact SD-CD1 3.91Å |
| 30 | V | 87.1 | Confident | 73.4 | Confident | 33 Ų | 33 | 84.7 Ų | 84.7 | 20% | 0.2 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.2 | 171.3 | 174.4 | 0 | 0 | 0 | 0 | 108.4 | V32 D43 Y44 I46 L116 | V30-V32 HydrophobicContact CG1-CG2 3.89Å; V30-D43 CarbonylContact O-C 3.57Å; V30-D43 WeakPolarHBondContact O-CA 3.15Å; V30-Y44 PolarHBondContact N-O 3.19Å; V30-Y44 PolarHBondContact O-N 3.01Å; V30-I46 HydrophobicContact CB-CG2 4.15Å; V30-I46 HydrophobicContact CG2-CB 4.43Å; V30-I46 HydrophobicContact CG2-CD1 3.68Å; V30-I46 HydrophobicContact CG2-CG1 4.1Å; V30-I46 HydrophobicContact CG2-CG2 3.51Å; V30-L116 HydrophobicContact CG2-CD2 4.47Å |
| 31 | H | 88.6 | Confident | 74.3 | Confident | 62 Ų | 62 | 82 Ų | 82 | 29% | 0.287 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.9 | 172.5 | -173.6 | 75.7 | 0 | 0 | 0 | 109.9 | V33 D43 L59 | H31-V33 VanDerWaalsContact CD2-CG1 3.47Å; H31-V33 WeakPolarHBondContact CD2-CG1 3.48Å; H31-V33 WeakPolarHBondContact NE2-CG1 3.32Å; H31-D43 WeakPolarHBondContact CB-OD1 3.29Å; H31-D43 IonicContact CE1-OD1 3.84Å; H31-D43 IonicContact CG-OD1 3.4Å; H31-D43 IonicContact ND1-OD1 2.69Å; H31-D43 PolarHBondContact ND1-OD1 3.5Å; H31-L59 HydrophobicContact CB-CD2 4.43Å |
| 32 | V | 88.5 | Confident | 75.6 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 25% | 0.248 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122 | -179.1 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | V30 G41 K42 Y44 L67 | V30-V32 HydrophobicContact CG1-CG2 3.89Å; V32-G41 CarbonylContact O-C 3.53Å; V32-G41 WeakPolarHBondContact O-CA 3.26Å; V32-K42 PolarHBondContact N-O 3.11Å; V32-K42 PolarHBondContact O-N 2.89Å; V32-Y44 HydrophobicContact CB-CD2 4.37Å; V32-Y44 HydrophobicContact CB-CE2 4.01Å; V32-Y44 HydrophobicContact CG2-CD2 3.72Å; V32-Y44 HydrophobicContact CG2-CE2 3.75Å; V32-L67 HydrophobicContact CG1-CD2 3.91Å; V32-L67 HydrophobicContact CG2-CD2 4.33Å |
| 33 | V | 87.9 | Confident | 77.1 | Confident | 72 Ų | 72 | 81.5 Ų | 81.5 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | trans | -110.8 | 147 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | H31 F64 | H31-V33 VanDerWaalsContact CD2-CG1 3.47Å; H31-V33 WeakPolarHBondContact CD2-CG1 3.48Å; H31-V33 WeakPolarHBondContact NE2-CG1 3.32Å; V33-F64 HydrophobicContact CG1-CE1 4.08Å; V33-F64 HydrophobicContact CG2-CD1 4.02Å; V33-F64 HydrophobicContact CG2-CE1 3.78Å | ||
| 34 | S | 86.4 | Confident | 78.5 | Confident | 74 Ų | 74 | 81.9 Ų | 81.9 | 52% | 0.517 | 47% | 0.473 | S | S | . | . | trans | -74.6 | 132.6 | 172.7 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | A36 G37 | S34-A36 PolarHBondContact O-N 2.88Å; S34-A36 PolarHBondContact OG-N 3.09Å; S34-G37 PolarHBondContact O-N 3.13Å | ||
| 35 | Q | 81.6 | Confident | 79.8 | Confident | 164 Ų | 164 | 83.1 Ų | 83.1 | 77% | 0.766 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -29.6 | 173.7 | -174.4 | 175.2 | 6.9 | 0 | 0 | 112.6 | G37 | Q35-G37 PolarHBondContact O-N 2.98Š|
| 36 | A | 77.9 | Confident | 81 | Confident | 95 Ų | 95 | 81.2 Ų | 81.2 | 79% | 0.785 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -3.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S34 | S34-A36 PolarHBondContact O-N 2.88Å; S34-A36 PolarHBondContact OG-N 3.09Å |
| 37 | G | 68.4 | Low | 81.4 | Confident | 63 Ų | 63 | 77 Ų | 77 | 65% | 0.649 | 45% | 0.446 | S | S | * | . | trans | 72.6 | 123.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S34 Q35 | S34-G37 PolarHBondContact O-N 3.13Å; Q35-G37 PolarHBondContact O-N 2.98Å | ||
| 38 | G | 65.1 | Low | 81.2 | Confident | 54 Ų | 54 | 72.3 Ų | 72.3 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | trans | -165.7 | -175.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 39 | P | 66.9 | Low | 80.7 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 83% | 0.831 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -55.1 | 163.4 | 177.3 | 25.5 | -34 | 0 | 0 | 0 | 111.5 | ||
| 40 | E | 78.4 | Confident | 80.2 | Confident | 177 Ų | 177 | 68.7 Ų | 68.7 | 83% | 0.827 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -37.3 | 138.3 | -178.9 | -118.4 | -170.8 | 167.3 | 0 | 0 | 112.9 | ||
| 41 | G | 82.4 | Confident | 79.4 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 21% | 0.206 | 43% | 0.432 | C | S | . | . | trans | -55.8 | 172.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V32 | V32-G41 CarbonylContact O-C 3.53Å; V32-G41 WeakPolarHBondContact O-CA 3.26Å | ||
| 42 | K | 86.3 | Confident | 78.5 | Confident | 122 Ų | 122 | 78.2 Ų | 78.2 | 53% | 0.53 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.5 | -178.9 | -69 | -81.6 | 166.5 | -78 | 0 | 109.6 | V32 Y44 | V32-K42 PolarHBondContact N-O 3.11Å; V32-K42 PolarHBondContact O-N 2.89Å; K42-Y44 HydrophobicContact CB-CD2 4.37Å; K42-Y44 HydrophobicContact CB-CE2 3.53Å; K42-Y44 WeakPolarHBondContact O-CD2 3.36Å |
| 43 | D | 86.2 | Confident | 77.8 | Confident | 86 Ų | 86 | 76.5 Ų | 76.5 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.8 | 173 | -63.7 | -41.7 | 0 | 0 | 0 | 110.9 | M29 V30 H31 | M29-D43 HydrophobicContact CE-CB 4.33Å; M29-D43 HydrophobicContact CG-CB 4.16Å; M29-D43 HydrophobicContact SD-CB 3.99Å; V30-D43 CarbonylContact O-C 3.57Å; V30-D43 WeakPolarHBondContact O-CA 3.15Å; H31-D43 WeakPolarHBondContact CB-OD1 3.29Å; H31-D43 IonicContact CE1-OD1 3.84Å; H31-D43 IonicContact CG-OD1 3.4Å; H31-D43 IonicContact ND1-OD1 2.69Å; H31-D43 PolarHBondContact ND1-OD1 3.5Å |
| 44 | Y | 83.6 | Confident | 77.4 | Confident | 114 Ų | 114 | 80.9 Ų | 80.9 | 45% | 0.447 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.5 | 176.8 | -63.2 | -87.5 | 0 | 0 | 0 | 109.9 | M29 V30 V32 K42 | M29-Y44 CarbonylContact C-O 3.49Å; M29-Y44 WeakPolarHBondContact CA-O 3.44Å; V30-Y44 PolarHBondContact N-O 3.19Å; V30-Y44 PolarHBondContact O-N 3.01Å; V32-Y44 HydrophobicContact CB-CD2 4.37Å; V32-Y44 HydrophobicContact CB-CE2 4.01Å; V32-Y44 HydrophobicContact CG2-CD2 3.72Å; V32-Y44 HydrophobicContact CG2-CE2 3.75Å; K42-Y44 HydrophobicContact CB-CD2 4.37Å; K42-Y44 HydrophobicContact CB-CE2 3.53Å; K42-Y44 WeakPolarHBondContact O-CD2 3.36Å |
| 45 | C | 83.3 | Confident | 77.2 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 47% | 0.466 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 132.9 | 167.9 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | G28 | G28-C45 WeakPolarHBondContact O-CA 3.33Å |
| 46 | I | 82.8 | Confident | 77.4 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.015 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 149.7 | 177.7 | 62.4 | 161.4 | 0 | 0 | 0 | 111 | Y27 G28 V30 L55 V135 A137 | Y27-I46 CarbonylContact C-O 3.44Å; Y27-I46 WeakPolarHBondContact CA-O 3.15Å; G28-I46 VanDerWaalsContact C-CG1 3.44Å; G28-I46 PolarHBondContact N-O 3.33Å; G28-I46 WeakPolarHBondContact O-CG1 3.49Å; G28-I46 PolarHBondContact O-N 2.62Å; V30-I46 HydrophobicContact CB-CG2 4.15Å; V30-I46 HydrophobicContact CG2-CB 4.43Å; V30-I46 HydrophobicContact CG2-CD1 3.68Å; V30-I46 HydrophobicContact CG2-CG1 4.1Å; V30-I46 HydrophobicContact CG2-CG2 3.51Å; I46-L55 HydrophobicContact CD1-CD1 3.93Å; I46-V135 CarbonylContact C-O 3.55Å; I46-V135 WeakPolarHBondContact CA-O 3.43Å; I46-V135 VanDerWaalsContact CB-O 3.23Å; I46-V135 WeakPolarHBondContact CB-O 3.23Å; I46-V135 HydrophobicContact CG2-CB 3.93Å; I46-V135 HydrophobicContact CG2-CG1 4.11Å; I46-A137 HydrophobicContact CD1-CB 3.58Å |
| 47 | L | 78.9 | Confident | 77.7 | Confident | 6 Ų | 6 | 79.7 Ų | 79.7 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.5 | 171.4 | -70.6 | 163.3 | 0 | 0 | 0 | 107.8 | Y27 L123 V135 S136 A137 | Y27-L47 HydrophobicContact CD1-CD2 3.73Å; Y27-L47 HydrophobicContact CE1-CD2 3.34Å; Y27-L47 HydrophobicContact CE1-CG 4.33Å; L47-L123 HydrophobicContact CD1-CB 4.32Å; L47-V135 PolarHBondContact N-O 2.97Å; L47-S136 WeakPolarHBondContact O-CA 3.3Å; L47-S136 WeakPolarHBondContact O-CB 3.3Å; L47-S136 PolarHBondContact O-OG 3.26Å; L47-A137 PolarHBondContact O-N 3.3Å |
| 48 | Y | 77.4 | Confident | 78.4 | Confident | 26 Ų | 26 | 80.2 Ų | 80.2 | 10% | 0.102 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157.3 | -177.8 | 84.1 | -71.4 | 0 | 0 | 0 | 111 | E26 Y27 P50 A53 L55 | E26-Y48 HydrophobicContact CB-CD1 4.15Å; E26-Y48 HydrophobicContact CB-CE1 3.47Å; E26-Y48 VanDerWaalsContact CB-CE1 3.47Å; E26-Y48 PolarHBondContact N-O 3.38Å; E26-Y48 WeakPolarHBondContact O-CD1 3.08Å; E26-Y48 PolarHBondContact O-N 2.92Å; E26-Y48 PolarHBondContact OE2-OH 3.05Å; Y27-Y48 WeakPolarHBondContact O-CE1 3.45Å; Y48-P50 HydrophobicContact CE2-CB 3.88Å; Y48-A53 WeakPolarHBondContact CE2-O 3.35Å; Y48-L55 HydrophobicContact CD1-CD1 3.83Å; Y48-L55 HydrophobicContact CD2-CD1 3.68Å; Y48-L55 HydrophobicContact CD2-CG 3.94Å; Y48-L55 HydrophobicContact CE1-CD1 3.97Å; Y48-L55 HydrophobicContact CE2-CB 4.33Å; Y48-L55 HydrophobicContact CE2-CD1 3.78Å; Y48-L55 HydrophobicContact CE2-CG 3.82Å; Y48-L55 HydrophobicContact CG-CD1 3.71Å; Y48-L55 HydrophobicContact CG-CG 4.46Å |
| 49 | N | 72.6 | Confident | 79.2 | Confident | 11 Ų | 11 | 81.6 Ų | 81.6 | 6% | 0.059 | 41% | 0.409 | C | S | . | . | trans | -98.5 | 115.4 | 171 | -175 | -19.5 | 0 | 0 | 0 | 108.6 | A24 Q51 W52 A53 | A24-N49 PolarHBondContact O-OD1 3.47Å; N49-Q51 PolarHBondContact O-N 3.23Å; N49-Q51 VanDerWaalsContact OD1-CB 3.28Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.25Å; N49-Q51 PolarHBondContact OD1-N 2.86Å; N49-W52 HydrophobicContact CB-CB 4.3Å; N49-W52 HydrophobicContact CB-CD2 3.72Å; N49-W52 HydrophobicContact CB-CE3 3.64Å; N49-W52 HydrophobicContact CB-CG 4.02Å; N49-W52 HydrophobicContact CB-CZ3 4.21Å; N49-W52 VanDerWaalsContact ND2-CE2 3.32Å; N49-W52 PolarHBondContact O-N 2.94Å; N49-A53 PolarHBondContact O-N 3.31Å; N49-A53 VanDerWaalsContact O-N 3.14Å | ||
| 50 | P | 74.1 | Confident | 79.9 | Confident | 22 Ų | 22 | 80.8 Ų | 80.8 | 14% | 0.143 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20 | 180 | 28.5 | -36.7 | 0 | 0 | 0 | 113.2 | A24 E26 Y48 W52 | A24-P50 HydrophobicContact CB-CG 4.26Å; E26-P50 HydrophobicContact CB-CG 4.35Å; E26-P50 HydrophobicContact CG-CG 3.89Å; Y48-P50 HydrophobicContact CE2-CB 3.88Å; P50-W52 VanDerWaalsContact C-N 3.29Å |
| 51 | Q | 70.6 | Confident | 80.3 | Confident | 150 Ų | 150 | 79.1 Ų | 79.1 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -19.7 | 173.2 | -56.6 | -168.1 | -71.1 | 0 | 0 | 113.1 | N49 | N49-Q51 PolarHBondContact O-N 3.23Å; N49-Q51 VanDerWaalsContact OD1-CB 3.28Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.25Å; N49-Q51 PolarHBondContact OD1-N 2.86Å |
| 52 | W | 69.6 | Low | 80.4 | Confident | 145 Ų | 145 | 80.1 Ų | 80.1 | 55% | 0.549 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -30.4 | -179.3 | -61.2 | -15.7 | 0 | 0 | 0 | 112.4 | N49 P50 | N49-W52 HydrophobicContact CB-CB 4.3Å; N49-W52 HydrophobicContact CB-CD2 3.72Å; N49-W52 HydrophobicContact CB-CE3 3.64Å; N49-W52 HydrophobicContact CB-CG 4.02Å; N49-W52 HydrophobicContact CB-CZ3 4.21Å; N49-W52 VanDerWaalsContact ND2-CE2 3.32Å; N49-W52 PolarHBondContact O-N 2.94Å; P50-W52 VanDerWaalsContact C-N 3.29Å |
| 53 | A | 72.9 | Confident | 80.4 | Confident | 6 Ų | 6 | 79 Ų | 79 | 5% | 0.05 | 41% | 0.41 | C | S | . | . | trans | -144.2 | 122.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y48 N49 L55 R139 | Y48-A53 WeakPolarHBondContact CE2-O 3.35Å; N49-A53 PolarHBondContact O-N 3.31Å; N49-A53 VanDerWaalsContact O-N 3.14Å; A53-L55 PolarHBondContact O-N 2.98Å; A53-R139 HydrophobicContact CB-CB 3.56Å | ||
| 54 | H | 79.4 | Confident | 80.4 | Confident | 163 Ų | 163 | 82 Ų | 82 | 76% | 0.755 | 42% | 0.42 | S | S | * | . | trans | -84 | 113.3 | 168.1 | -69.3 | -62.4 | 0 | 0 | 0 | 109.5 | ||||
| 55 | L | 82.1 | Confident | 80.6 | Confident | 59 Ų | 59 | 80 Ų | 80 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | trans | -90.8 | 141.4 | 173.1 | -61.4 | -179.8 | 0 | 0 | 0 | 109.9 | I46 Y48 A53 | I46-L55 HydrophobicContact CD1-CD1 3.93Å; Y48-L55 HydrophobicContact CD1-CD1 3.83Å; Y48-L55 HydrophobicContact CD2-CD1 3.68Å; Y48-L55 HydrophobicContact CD2-CG 3.94Å; Y48-L55 HydrophobicContact CE1-CD1 3.97Å; Y48-L55 HydrophobicContact CE2-CB 4.33Å; Y48-L55 HydrophobicContact CE2-CD1 3.78Å; Y48-L55 HydrophobicContact CE2-CG 3.82Å; Y48-L55 HydrophobicContact CG-CD1 3.71Å; Y48-L55 HydrophobicContact CG-CG 4.46Å; A53-L55 PolarHBondContact O-N 2.98Å | ||
| 56 | P | 86 | Confident | 81 | Confident | 62 Ų | 62 | 81.5 Ų | 81.5 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | trans | -64.3 | 146.1 | 171.3 | 27.8 | -31.9 | 0 | 0 | 0 | 109.6 | D58 K61 A62 | P56-D58 VanDerWaalsContact C-N 3.3Å; P56-K61 HydrophobicContact CB-CB 4.03Å; P56-A62 HydrophobicContact CG-CB 3.9Å | ||
| 57 | H | 85.2 | Confident | 81.4 | Confident | 188 Ų | 188 | 84.5 Ų | 84.5 | 87% | 0.87 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -76 | -23.3 | -178.4 | -64.3 | 39.7 | 0 | 0 | 0 | 112.2 | ||
| 58 | D | 83.5 | Confident | 82.1 | Confident | 73 Ų | 73 | 87.5 Ų | 87.5 | 39% | 0.39 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -115.8 | 134.3 | 179.8 | -54.1 | -58 | 0 | 0 | 0 | 110.3 | P56 S60 K61 | P56-D58 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.2Å; D58-K61 HydrophobicContact CB-CD 4.2Å; D58-K61 HydrophobicContact CB-CG 4.37Å; D58-K61 PolarHBondContact O-N 3.14Å; D58-K61 WeakPolarHBondContact OD2-CE 3.34Å; D58-K61 IonicContact OD2-NZ 2.71Å; D58-K61 PolarHBondContact OD2-NZ 3.1Å |
| 59 | L | 80.5 | Confident | 82.8 | Confident | 83 Ų | 83 | 91.8 Ų | 91.8 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -60.2 | -30.3 | 176.2 | -67.8 | 176 | 0 | 0 | 0 | 112.7 | M29 H31 K61 A62 | M29-L59 HydrophobicContact CG-CD2 4.5Å; M29-L59 HydrophobicContact SD-CD1 3.91Å; H31-L59 HydrophobicContact CB-CD2 4.43Å; L59-K61 PolarHBondContact O-N 3.2Å; L59-A62 VanDerWaalsContact O-CB 3.29Å; L59-A62 WeakPolarHBondContact O-CB 3.28Å; L59-A62 PolarHBondContact O-N 2.93Å |
| 60 | S | 81.9 | Confident | 83.8 | Confident | 111 Ų | 111 | 94.4 Ų | 94.4 | 78% | 0.776 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -64.4 | -20.7 | 177.2 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | D58 | D58-S60 PolarHBondContact O-N 3.2Š|
| 61 | K | 86.2 | Confident | 84.6 | Confident | 142 Ų | 142 | 96.2 Ų | 96.2 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -96.8 | -5.5 | 176.4 | -63 | 170.9 | -176.2 | 157 | 0 | 112.2 | P56 D58 L59 | P56-K61 HydrophobicContact CB-CB 4.03Å; D58-K61 HydrophobicContact CB-CD 4.2Å; D58-K61 HydrophobicContact CB-CG 4.37Å; D58-K61 PolarHBondContact O-N 3.14Å; D58-K61 WeakPolarHBondContact OD2-CE 3.34Å; D58-K61 IonicContact OD2-NZ 2.71Å; D58-K61 PolarHBondContact OD2-NZ 3.1Å; L59-K61 PolarHBondContact O-N 3.2Å |
| 62 | A | 86 | Confident | 85.6 | Confident | 41 Ų | 41 | 94.3 Ų | 94.3 | 34% | 0.339 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -75 | 141 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P56 L59 | P56-A62 HydrophobicContact CG-CB 3.9Å; L59-A62 VanDerWaalsContact O-CB 3.29Å; L59-A62 WeakPolarHBondContact O-CB 3.28Å; L59-A62 PolarHBondContact O-N 2.93Å |
| 63 | S | 84.9 | Confident | 86.7 | Confident | 100 Ų | 100 | 88.2 Ų | 88.2 | 70% | 0.699 | 48% | 0.477 | S | S | * | . | trans | -83.8 | 130.2 | 174 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | L65 | S63-L65 PolarHBondContact O-N 2.89Š| ||
| 64 | F | 86.7 | Confident | 87.6 | Confident | 149 Ų | 149 | 91.3 Ų | 91.3 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | trans | -71.9 | 115.8 | 170.3 | -79.9 | -85.8 | 0 | 0 | 0 | 110 | V33 | V33-F64 HydrophobicContact CG1-CE1 4.08Å; V33-F64 HydrophobicContact CG2-CD1 4.02Å; V33-F64 HydrophobicContact CG2-CE1 3.78Å | ||
| 65 | L | 89.1 | Confident | 88.3 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 38% | 0.377 | 46% | 0.456 | S | S | . | . | trans | -112 | 143.3 | 176.9 | -67.2 | 170.8 | 0 | 0 | 0 | 109.7 | S63 L67 I90 R113 | S63-L65 PolarHBondContact O-N 2.89Å; L65-L67 PolarHBondContact O-N 2.78Å; L65-I90 HydrophobicContact CB-CD1 3.74Å; L65-I90 HydrophobicContact CB-CG1 3.94Å; L65-I90 HydrophobicContact CD1-CD1 3.78Å; L65-I90 HydrophobicContact CD1-CG1 4.08Å; L65-I90 HydrophobicContact CG-CD1 4.4Å; L65-R113 HydrophobicContact CD1-CB 4.02Å; L65-R113 HydrophobicContact CD1-CG 3.71Å; L65-R113 HydrophobicContact CD2-CG 4.43Å | ||
| 66 | Q | 91.5 | Very high | 88.9 | Confident | 100 Ų | 100 | 82.6 Ų | 82.6 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | trans | -65.6 | 125.2 | 178.4 | -83.7 | -72.8 | -11.6 | 0 | 0 | 110.1 | Q89 I90 | Q66-Q89 HydrophobicContact CB-CG 3.98Å; Q66-Q89 WeakPolarHBondContact O-CA 3.49Å; Q66-Q89 WeakPolarHBondContact O-CB 3.35Å; Q66-I90 PolarHBondContact O-N 3.34Å | ||
| 67 | L | 91 | Very high | 89.4 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 34% | 0.34 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 119.2 | -180 | -159.6 | 69.6 | 0 | 0 | 0 | 108.9 | V32 L65 I90 L92 L116 | V32-L67 HydrophobicContact CG1-CD2 3.91Å; V32-L67 HydrophobicContact CG2-CD2 4.33Å; L65-L67 PolarHBondContact O-N 2.78Å; L67-I90 HydrophobicContact CD1-CB 4.06Å; L67-I90 HydrophobicContact CD1-CG2 3.99Å; L67-L92 HydrophobicContact CD1-CD1 3.23Å; L67-L92 HydrophobicContact CD2-CD1 3.68Å; L67-L92 HydrophobicContact CD2-CD2 4.42Å; L67-L92 HydrophobicContact CG-CD1 3.28Å; L67-L116 HydrophobicContact CD1-CD1 3.72Å |
| 68 | R | 91.9 | Very high | 89.7 | Confident | 70 Ų | 70 | 76.6 Ų | 76.6 | 26% | 0.264 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.6 | -179.5 | -166.6 | -170.3 | -171.9 | 152.5 | -11.1 | 110.2 | W70 G85 Q89 I90 P91 L92 | R68-W70 HydrophobicContact CG-CE3 4.32Å; R68-W70 VanDerWaalsContact NE-CZ3 3.3Å; R68-W70 VanDerWaalsContact NH2-CZ3 3.32Å; R68-W70 PolarHBondContact O-N 3.23Å; R68-G85 PolarHBondContact NH1-O 3Å; R68-Q89 HydrophobicContact CB-CB 4.3Å; R68-Q89 VanDerWaalsContact CD-OE1 3.26Å; R68-I90 PolarHBondContact N-O 2.87Å; R68-P91 CarbonylContact O-C 3.53Å; R68-P91 WeakPolarHBondContact O-CA 3.48Å; R68-L92 PolarHBondContact O-N 3.43Å |
| 69 | N | 92.3 | Very high | 90.2 | Very high | 116 Ų | 116 | 77.6 Ų | 77.6 | 62% | 0.62 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 116.3 | 172.1 | -173.3 | -3.4 | 0 | 0 | 0 | 110.1 | T71 | N69-T71 WeakPolarHBondContact OD1-CG2 3.48Å; N69-T71 PolarHBondContact OD1-N 3.48Å; N69-T71 PolarHBondContact OD1-OG1 3.03Å |
| 70 | W | 94.4 | Very high | 90.9 | Very high | 66 Ų | 66 | 75.9 Ų | 75.9 | 25% | 0.25 | 45% | 0.449 | C | S | . | . | trans | -131 | 22.9 | 175.5 | -143.1 | -109.8 | 0 | 0 | 0 | 111.4 | R68 A72 S73 D80 P82 F86 P91 L92 V93 | R68-W70 HydrophobicContact CG-CE3 4.32Å; R68-W70 VanDerWaalsContact NE-CZ3 3.3Å; R68-W70 VanDerWaalsContact NH2-CZ3 3.32Å; R68-W70 PolarHBondContact O-N 3.23Å; W70-A72 PolarHBondContact O-N 3.12Å; W70-A72 VanDerWaalsContact O-N 3.12Å; W70-S73 PolarHBondContact O-N 3.37Å; W70-D80 PolarHBondContact NE1-O 3.41Å; W70-D80 VanDerWaalsContact NE1-O 3.14Å; W70-P82 HydrophobicContact CH2-CB 3.83Å; W70-P82 HydrophobicContact CZ2-CB 3.72Å; W70-P82 HydrophobicContact CZ2-CG 4.14Å; W70-F86 HydrophobicContact CD2-CE1 4.15Å; W70-F86 HydrophobicContact CG-CE1 4.05Å; W70-F86 HydrophobicContact CG-CZ 4.46Å; W70-P91 HydrophobicContact CB-CB 4.23Å; W70-L92 CarbonylContact C-O 3.59Å; W70-L92 WeakPolarHBondContact CA-O 3.32Å; W70-L92 VanDerWaalsContact CB-O 3.26Å; W70-L92 WeakPolarHBondContact CB-O 3.18Å; W70-L92 PolarHBondContact N-O 3.05Å; W70-V93 HydrophobicContact CB-CG1 4.29Å | ||
| 71 | T | 91.6 | Very high | 91.5 | Very high | 59 Ų | 59 | 72.8 Ų | 72.8 | 36% | 0.362 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -11.3 | -170.4 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | N69 S73 L92 A94 V118 | N69-T71 WeakPolarHBondContact OD1-CG2 3.48Å; N69-T71 PolarHBondContact OD1-N 3.48Å; N69-T71 PolarHBondContact OD1-OG1 3.03Å; T71-S73 PolarHBondContact O-N 3.02Å; T71-L92 HydrophobicContact CG2-CB 3.81Å; T71-L92 PolarHBondContact N-O 3.45Å; T71-A94 WeakPolarHBondContact O-CB 3.48Å; T71-V118 HydrophobicContact CG2-CG2 4.33Å |
| 72 | A | 91.6 | Very high | 91.8 | Very high | 111 Ų | 111 | 66.6 Ų | 66.6 | 92% | 0.917 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -18.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W70 | W70-A72 PolarHBondContact O-N 3.12Å; W70-A72 VanDerWaalsContact O-N 3.12Å |
| 73 | S | 92.1 | Very high | 92 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 12% | 0.119 | 43% | 0.427 | C | S | . | . | trans | -107.1 | 149.8 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | W70 T71 L75 D80 A94 | W70-S73 PolarHBondContact O-N 3.37Å; T71-S73 PolarHBondContact O-N 3.02Å; S73-L75 PolarHBondContact OG-N 3.26Å; S73-D80 VanDerWaalsContact OG-CB 3.32Å; S73-D80 WeakPolarHBondContact OG-CB 3.4Å; S73-D80 PolarHBondContact OG-OD1 2.94Å; S73-A94 PolarHBondContact O-N 3.13Å | ||
| 74 | L | 92.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 76.2 Ų | 76.2 | 37% | 0.366 | 43% | 0.434 | S | S | . | . | trans | -85.5 | -15 | 169.9 | -55.5 | -176.7 | 0 | 0 | 0 | 112.1 | C76 A94 K103 | L74-C76 VanDerWaalsContact C-N 3.34Å; L74-C76 PolarHBondContact O-N 3.2Å; L74-A94 HydrophobicContact CD2-CB 4.02Å; L74-K103 PolarHBondContact O-NZ 3.4Å | ||
| 75 | L | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 41% | 0.408 | C | S | . | . | trans | 51.8 | 50.4 | -176.4 | -165 | 70.3 | 0 | 0 | 0 | 112.7 | S73 D80 L81 F86 V93 K103 L106 A107 L115 | S73-L75 PolarHBondContact OG-N 3.26Å; L75-D80 HydrophobicContact CD1-CB 4.21Å; L75-L81 HydrophobicContact CD1-CD2 3.63Å; L75-L81 HydrophobicContact CD1-CG 4.45Å; L75-F86 HydrophobicContact CD1-CE2 4.16Å; L75-F86 HydrophobicContact CD1-CZ 4.06Å; L75-F86 HydrophobicContact CD2-CE2 4.38Å; L75-V93 HydrophobicContact CB-CB 4.32Å; L75-V93 HydrophobicContact CB-CG1 3.89Å; L75-V93 HydrophobicContact CD2-CG1 3.89Å; L75-V93 HydrophobicContact CG-CG1 4.46Å; L75-K103 HydrophobicContact CD2-CB 4.49Å; L75-K103 WeakPolarHBondContact O-CG 3.2Å; L75-L106 HydrophobicContact CD1-CB 4.49Å; L75-L106 HydrophobicContact CG-CB 4.31Å; L75-L106 WeakPolarHBondContact O-CD1 3.3Å; L75-A107 HydrophobicContact CD2-CB 3.93Å; L75-L115 HydrophobicContact CD2-CD1 3.9Å; L75-L115 HydrophobicContact CD2-CD2 4.43Å | ||
| 76 | C | 94.8 | Very high | 92.7 | Very high | 40 Ų | 40 | 66.1 Ų | 66.1 | 27% | 0.27 | 39% | 0.39 | S | S | . | . | trans | -104.2 | -9.7 | -179.1 | -65.3 | 0 | 0 | 0 | 0 | 112.8 | L74 D80 C98 | L74-C76 VanDerWaalsContact C-N 3.34Å; L74-C76 PolarHBondContact O-N 3.2Å; C76-D80 PolarHBondContact N-OD2 3.35Å; C76-C98 WeakPolarHBondContact CA-SG 3.36Å; C76-C98 HydrophobicContact CB-CB 3.62Å; C76-C98 WeakPolarHBondContact CB-SG 3.41Å; C76-C98 WeakPolarHBondContact SG-CB 3.4Å; C76-C98 CovalentContact SG-SG 2.03Å; C76-C98 PolarHBondContact SG-SG 2.93Å | ||
| 77 | S | 95.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 65 Ų | 65 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -142.7 | 165.9 | -178.6 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | A79 D80 | S77-A79 PolarHBondContact O-N 3.34Å; S77-A79 PolarHBondContact OG-N 3.17Å; S77-D80 PolarHBondContact N-OD2 2.83Å; S77-D80 VanDerWaalsContact O-CB 3.32Å; S77-D80 WeakPolarHBondContact O-CB 3.49Å; S77-D80 PolarHBondContact O-N 2.95Å; S77-D80 VanDerWaalsContact O-N 3.11Å; S77-D80 PolarHBondContact OG-OD2 3.3Å |
| 78 | A | 92.9 | Very high | 92.4 | Very high | 72 Ų | 72 | 67.5 Ų | 67.5 | 60% | 0.595 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -63.4 | -25.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | D80 L81 | A78-D80 PolarHBondContact O-N 3.42Å; A78-L81 WeakPolarHBondContact O-CB 3.19Å; A78-L81 PolarHBondContact O-N 3.42Å |
| 79 | A | 93.7 | Very high | 92.3 | Very high | 95 Ų | 95 | 66.9 Ų | 66.9 | 79% | 0.785 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -68.7 | -19.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S77 L81 | S77-A79 PolarHBondContact O-N 3.34Å; S77-A79 PolarHBondContact OG-N 3.17Å; A79-L81 PolarHBondContact O-N 3.35Å |
| 80 | D | 94.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 62.8 Ų | 62.8 | 25% | 0.251 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -79.5 | -7.8 | 176.5 | -67 | -56 | 0 | 0 | 0 | 113.3 | W70 S73 L75 C76 S77 A78 | W70-D80 PolarHBondContact NE1-O 3.41Å; W70-D80 VanDerWaalsContact NE1-O 3.14Å; S73-D80 VanDerWaalsContact OG-CB 3.32Å; S73-D80 WeakPolarHBondContact OG-CB 3.4Å; S73-D80 PolarHBondContact OG-OD1 2.94Å; L75-D80 HydrophobicContact CD1-CB 4.21Å; C76-D80 PolarHBondContact N-OD2 3.35Å; S77-D80 PolarHBondContact N-OD2 2.83Å; S77-D80 VanDerWaalsContact O-CB 3.32Å; S77-D80 WeakPolarHBondContact O-CB 3.49Å; S77-D80 PolarHBondContact O-N 2.95Å; S77-D80 VanDerWaalsContact O-N 3.11Å; S77-D80 PolarHBondContact OG-OD2 3.3Å; A78-D80 PolarHBondContact O-N 3.42Å |
| 81 | L | 94.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -79.5 | 139.8 | -177.3 | -66.8 | 172.9 | 0 | 0 | 0 | 111.6 | L75 A78 A79 F86 L106 | L75-L81 HydrophobicContact CD1-CD2 3.63Å; L75-L81 HydrophobicContact CD1-CG 4.45Å; A78-L81 WeakPolarHBondContact O-CB 3.19Å; A78-L81 PolarHBondContact O-N 3.42Å; A79-L81 PolarHBondContact O-N 3.35Å; L81-F86 HydrophobicContact CD2-CE2 3.82Å; L81-F86 HydrophobicContact CD2-CZ 4.44Å; L81-L106 HydrophobicContact CD1-CD2 4.45Å; L81-L106 HydrophobicContact CD2-CB 4.42Å |
| 82 | P | 93.6 | Very high | 92.3 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | trans | -62.3 | 144.6 | 169.3 | 23.8 | -30.6 | 0 | 0 | 0 | 110.9 | W70 R84 G85 F86 | W70-P82 HydrophobicContact CH2-CB 3.83Å; W70-P82 HydrophobicContact CZ2-CB 3.72Å; W70-P82 HydrophobicContact CZ2-CG 4.14Å; P82-R84 PolarHBondContact O-N 3.06Å; P82-R84 VanDerWaalsContact O-N 3.08Å; P82-G85 VanDerWaalsContact CG-C 3.48Å; P82-G85 WeakPolarHBondContact CG-O 3.38Å; P82-G85 PolarHBondContact O-N 3.41Å; P82-F86 HydrophobicContact CG-CD1 3.83Å; P82-F86 HydrophobicContact CG-CE1 3.67Å; P82-F86 HydrophobicContact CG-CG 4.31Å; P82-F86 HydrophobicContact CG-CZ 4.05Å | ||
| 83 | A | 90.8 | Very high | 92.4 | Very high | 114 Ų | 114 | 53.3 Ų | 53.3 | 94% | 0.942 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -30.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 84 | R | 90.2 | Very high | 92.4 | Very high | 229 Ų | 229 | 53.6 Ų | 53.6 | 86% | 0.864 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 13.1 | 176.6 | -61.9 | -171.7 | -176.8 | 178.2 | 1.3 | 113.4 | P82 S87 | P82-R84 PolarHBondContact O-N 3.06Å; P82-R84 VanDerWaalsContact O-N 3.08Å; R84-S87 PolarHBondContact O-OG 3.32Å |
| 85 | G | 92.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 55 Ų | 55 | 9% | 0.093 | 33% | 0.325 | C | S | . | . | trans | 64.7 | -169.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R68 P82 S110 | R68-G85 PolarHBondContact NH1-O 3Å; P82-G85 VanDerWaalsContact CG-C 3.48Å; P82-G85 WeakPolarHBondContact CG-O 3.38Å; P82-G85 PolarHBondContact O-N 3.41Å; G85-S110 WeakPolarHBondContact CA-OG 3.33Å | ||
| 86 | F | 92.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -89.2 | -15.6 | -177.8 | -65.8 | -63.1 | 0 | 0 | 0 | 113.3 | W70 L75 L81 P82 N88 Q89 P91 A107 S110 A112 | W70-F86 HydrophobicContact CD2-CE1 4.15Å; W70-F86 HydrophobicContact CG-CE1 4.05Å; W70-F86 HydrophobicContact CG-CZ 4.46Å; L75-F86 HydrophobicContact CD1-CE2 4.16Å; L75-F86 HydrophobicContact CD1-CZ 4.06Å; L75-F86 HydrophobicContact CD2-CE2 4.38Å; L81-F86 HydrophobicContact CD2-CE2 3.82Å; L81-F86 HydrophobicContact CD2-CZ 4.44Å; P82-F86 HydrophobicContact CG-CD1 3.83Å; P82-F86 HydrophobicContact CG-CE1 3.67Å; P82-F86 HydrophobicContact CG-CG 4.31Å; P82-F86 HydrophobicContact CG-CZ 4.05Å; F86-N88 PolarHBondContact O-N 3.36Å; F86-Q89 WeakPolarHBondContact O-CB 2.98Å; F86-Q89 WeakPolarHBondContact O-CG 3.47Å; F86-Q89 PolarHBondContact O-N 3.28Å; F86-Q89 VanDerWaalsContact O-N 3.07Å; F86-P91 HydrophobicContact CD1-CB 3.7Å; F86-P91 HydrophobicContact CD1-CG 3.75Å; F86-P91 HydrophobicContact CD2-CG 3.97Å; F86-P91 HydrophobicContact CE1-CB 3.49Å; F86-P91 VanDerWaalsContact CE1-CB 3.49Å; F86-P91 HydrophobicContact CE1-CG 3.83Å; F86-P91 HydrophobicContact CE2-CB 4.48Å; F86-P91 HydrophobicContact CE2-CG 4.02Å; F86-P91 HydrophobicContact CG-CB 4.31Å; F86-P91 HydrophobicContact CG-CG 3.83Å; F86-P91 HydrophobicContact CZ-CB 3.91Å; F86-P91 HydrophobicContact CZ-CG 3.95Å; F86-A107 HydrophobicContact CE2-CB 4.44Å; F86-S110 PolarHBondContact N-O 3.37Å; F86-A112 HydrophobicContact CB-CB 3.85Å; F86-A112 HydrophobicContact CD2-CB 3.88Å; F86-A112 HydrophobicContact CG-CB 4.14Å | ||
| 87 | S | 89.4 | Confident | 91.6 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 58.7 | 166.6 | -63.9 | 0 | 0 | 0 | 0 | 114.3 | R84 Q89 | R84-S87 PolarHBondContact O-OG 3.32Å; S87-Q89 PolarHBondContact O-N 2.85Å |
| 88 | N | 85.6 | Confident | 91.4 | Very high | 119 Ų | 119 | 60 Ų | 60 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 13.5 | -178.9 | -57.4 | -48.3 | 0 | 0 | 0 | 116 | F86 G111 | F86-N88 PolarHBondContact O-N 3.36Å; N88-G111 PolarHBondContact N-O 3.11Å |
| 89 | Q | 91.4 | Very high | 91.1 | Very high | 56 Ų | 56 | 60.1 Ų | 60.1 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | trans | -92.4 | 165.8 | 175.2 | -57.8 | 174.3 | -7.7 | 0 | 0 | 111.4 | Q66 R68 F86 S87 P91 A112 R113 | Q66-Q89 HydrophobicContact CB-CG 3.98Å; Q66-Q89 WeakPolarHBondContact O-CA 3.49Å; Q66-Q89 WeakPolarHBondContact O-CB 3.35Å; R68-Q89 HydrophobicContact CB-CB 4.3Å; R68-Q89 VanDerWaalsContact CD-OE1 3.26Å; F86-Q89 WeakPolarHBondContact O-CB 2.98Å; F86-Q89 WeakPolarHBondContact O-CG 3.47Å; F86-Q89 PolarHBondContact O-N 3.28Å; F86-Q89 VanDerWaalsContact O-N 3.07Å; S87-Q89 PolarHBondContact O-N 2.85Å; Q89-P91 WeakPolarHBondContact O-CD 3.49Å; Q89-A112 WeakPolarHBondContact O-CA 3.3Å; Q89-R113 PolarHBondContact O-N 3.48Å | ||
| 90 | I | 92.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 59.1 Ų | 59.1 | 16% | 0.159 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 101.3 | 170.8 | -59.7 | 179.7 | 0 | 0 | 0 | 108.4 | L65 Q66 L67 R68 L116 | L65-I90 HydrophobicContact CB-CD1 3.74Å; L65-I90 HydrophobicContact CB-CG1 3.94Å; L65-I90 HydrophobicContact CD1-CD1 3.78Å; L65-I90 HydrophobicContact CD1-CG1 4.08Å; L65-I90 HydrophobicContact CG-CD1 4.4Å; Q66-I90 PolarHBondContact O-N 3.34Å; L67-I90 HydrophobicContact CD1-CB 4.06Å; L67-I90 HydrophobicContact CD1-CG2 3.99Å; R68-I90 PolarHBondContact N-O 2.87Å; I90-L116 HydrophobicContact CG2-CB 4.39Å; I90-L116 HydrophobicContact CG2-CD1 3.89Å; I90-L116 HydrophobicContact CG2-CG 3.62Å |
| 91 | P | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 137 | 171.5 | 24.6 | -35.3 | 0 | 0 | 0 | 113.1 | R68 W70 F86 Q89 V93 A112 G114 L115 L116 | R68-P91 CarbonylContact O-C 3.53Å; R68-P91 WeakPolarHBondContact O-CA 3.48Å; W70-P91 HydrophobicContact CB-CB 4.23Å; F86-P91 HydrophobicContact CD1-CB 3.7Å; F86-P91 HydrophobicContact CD1-CG 3.75Å; F86-P91 HydrophobicContact CD2-CG 3.97Å; F86-P91 HydrophobicContact CE1-CB 3.49Å; F86-P91 VanDerWaalsContact CE1-CB 3.49Å; F86-P91 HydrophobicContact CE1-CG 3.83Å; F86-P91 HydrophobicContact CE2-CB 4.48Å; F86-P91 HydrophobicContact CE2-CG 4.02Å; F86-P91 HydrophobicContact CG-CB 4.31Å; F86-P91 HydrophobicContact CG-CG 3.83Å; F86-P91 HydrophobicContact CZ-CB 3.91Å; F86-P91 HydrophobicContact CZ-CG 3.95Å; Q89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-V93 HydrophobicContact CB-CG1 4.35Å; P91-A112 HydrophobicContact CG-CB 4.13Å; P91-G114 VanDerWaalsContact CD-O 3.3Å; P91-G114 WeakPolarHBondContact CD-O 3.44Å; P91-L115 HydrophobicContact CB-CD1 4.35Å; P91-L115 HydrophobicContact CG-CD1 3.76Å; P91-L116 PolarHBondContact O-N 3.45Å |
| 92 | L | 92.8 | Very high | 89.8 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 119.1 | 162 | -87.1 | 69.2 | 0 | 0 | 0 | 108.8 | L67 R68 W70 T71 L116 V118 | L67-L92 HydrophobicContact CD1-CD1 3.23Å; L67-L92 HydrophobicContact CD2-CD1 3.68Å; L67-L92 HydrophobicContact CD2-CD2 4.42Å; L67-L92 HydrophobicContact CG-CD1 3.28Å; R68-L92 PolarHBondContact O-N 3.43Å; W70-L92 CarbonylContact C-O 3.59Å; W70-L92 WeakPolarHBondContact CA-O 3.32Å; W70-L92 VanDerWaalsContact CB-O 3.26Å; W70-L92 WeakPolarHBondContact CB-O 3.18Å; W70-L92 PolarHBondContact N-O 3.05Å; T71-L92 HydrophobicContact CG2-CB 3.81Å; T71-L92 PolarHBondContact N-O 3.45Å; L92-L116 CarbonylContact C-O 2.86Å; L92-L116 VanDerWaalsContact CA-O 3.3Å; L92-L116 WeakPolarHBondContact CA-O 3.49Å; L92-L116 HydrophobicContact CD1-CB 4.14Å; L92-L116 HydrophobicContact CD1-CD1 3.95Å; L92-L116 HydrophobicContact CG-CB 4.09Å; L92-V118 HydrophobicContact CB-CG2 4.24Å; L92-V118 HydrophobicContact CD2-CG2 3.97Å; L92-V118 HydrophobicContact CG-CG2 4.07Å |
| 93 | V | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 152.9 | 178.9 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | W70 L75 P91 L115 L116 I117 V118 | W70-V93 HydrophobicContact CB-CG1 4.29Å; L75-V93 HydrophobicContact CB-CB 4.32Å; L75-V93 HydrophobicContact CB-CG1 3.89Å; L75-V93 HydrophobicContact CD2-CG1 3.89Å; L75-V93 HydrophobicContact CG-CG1 4.46Å; P91-V93 HydrophobicContact CB-CG1 4.35Å; V93-L115 HydrophobicContact CB-CD1 4.35Å; V93-L115 HydrophobicContact CG1-CD1 3.76Å; V93-L115 HydrophobicContact CG2-CD1 3.66Å; V93-L115 HydrophobicContact CG2-CD2 4.32Å; V93-L115 HydrophobicContact CG2-CG 4.15Å; V93-L116 PolarHBondContact N-O 2.94Å; V93-I117 HydrophobicContact CG2-CB 4.39Å; V93-I117 HydrophobicContact CG2-CG1 3.91Å; V93-I117 HydrophobicContact CG2-CG2 4.47Å; V93-I117 CarbonylContact O-C 3.58Å; V93-I117 WeakPolarHBondContact O-CA 3.32Å; V93-V118 PolarHBondContact O-N 2.98Å |
| 94 | A | 90.7 | Very high | 89.6 | Confident | 24 Ų | 24 | 61 Ų | 61 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 147.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T71 S73 L74 G96 K103 | T71-A94 WeakPolarHBondContact O-CB 3.48Å; S73-A94 PolarHBondContact O-N 3.13Å; L74-A94 HydrophobicContact CD2-CB 4.02Å; A94-G96 PolarHBondContact O-N 2.58Å; A94-K103 PolarHBondContact O-NZ 2.62Å; A94-K103 VanDerWaalsContact O-NZ 3.13Å |
| 95 | R | 89.9 | Confident | 89.5 | Confident | 99 Ų | 99 | 58.4 Ų | 58.4 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | trans | -60.5 | 133.3 | 164.1 | -172.3 | 177.7 | -175.2 | -173.9 | -0.8 | 109 | I117 V118 S119 R122 | R95-I117 HydrophobicContact CB-CG2 4.31Å; R95-V118 PolarHBondContact N-O 3.32Å; R95-S119 WeakPolarHBondContact CD-OG 3.47Å; R95-R122 PolarHBondContact NH1-O 2.89Å | ||
| 96 | G | 87.2 | Confident | 89.5 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | trans | -131.8 | -159.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A94 | A94-G96 PolarHBondContact O-N 2.58Š| ||
| 97 | N | 88.8 | Confident | 89.5 | Confident | 150 Ų | 150 | 59.9 Ų | 59.9 | 80% | 0.802 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -86.8 | -14.3 | 178.7 | 61.2 | -10.1 | 0 | 0 | 0 | 114.2 | ||
| 98 | C | 89.6 | Confident | 89.5 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 14% | 0.135 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -82 | 157.9 | 172.8 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | C76 E102 K103 | C76-C98 WeakPolarHBondContact CA-SG 3.36Å; C76-C98 HydrophobicContact CB-CB 3.62Å; C76-C98 WeakPolarHBondContact CB-SG 3.41Å; C76-C98 WeakPolarHBondContact SG-CB 3.4Å; C76-C98 CovalentContact SG-SG 2.03Å; C76-C98 PolarHBondContact SG-SG 2.93Å; C98-E102 WeakPolarHBondContact CB-OE2 3.46Å; C98-K103 WeakPolarHBondContact SG-CE 3.22Å; C98-K103 PolarHBondContact SG-NZ 3.37Å; C98-K103 VanDerWaalsContact SG-NZ 3.45Å |
| 99 | T | 86.8 | Confident | 89.7 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | trans | -68.9 | 158.3 | -178 | 67.7 | 0 | 0 | 0 | 0 | 112 | Y101 E102 K103 | T99-Y101 VanDerWaalsContact C-N 3.26Å; T99-Y101 PolarHBondContact O-N 3.01Å; T99-E102 PolarHBondContact N-OE2 2.93Å; T99-E102 PolarHBondContact O-N 3.43Å; T99-E102 VanDerWaalsContact OG1-CD 3.25Å; T99-E102 VanDerWaalsContact OG1-CG 3.22Å; T99-E102 WeakPolarHBondContact OG1-CG 3.19Å; T99-E102 PolarHBondContact OG1-N 3.33Å; T99-E102 VanDerWaalsContact OG1-N 3.17Å; T99-E102 PolarHBondContact OG1-OE2 3.4Å; T99-K103 WeakPolarHBondContact O-CG 3.32Å; T99-K103 PolarHBondContact O-N 2.91Å | ||
| 100 | F | 84.8 | Confident | 89.8 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 33% | 0.329 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 172.7 | -59.7 | -32.9 | 0 | 0 | 0 | 111.8 | E102 K103 V104 I117 L123 | F100-E102 PolarHBondContact O-N 2.95Å; F100-K103 PolarHBondContact O-N 3.32Å; F100-V104 WeakPolarHBondContact O-CB 3.38Å; F100-V104 WeakPolarHBondContact O-CG2 3.05Å; F100-V104 PolarHBondContact O-N 2.92Å; F100-I117 HydrophobicContact CB-CD1 4.07Å; F100-I117 HydrophobicContact CD1-CD1 3.42Å; F100-I117 VanDerWaalsContact CD1-CD1 3.42Å; F100-I117 HydrophobicContact CD1-CG2 4.41Å; F100-I117 HydrophobicContact CE1-CD1 4.1Å; F100-I117 HydrophobicContact CE1-CG2 4.11Å; F100-I117 HydrophobicContact CG-CD1 3.96Å; F100-L123 HydrophobicContact CE1-CD2 4.5Å; F100-L123 HydrophobicContact CZ-CD1 4.17Å; F100-L123 HydrophobicContact CZ-CD2 3.77Å |
| 101 | Y | 82.8 | Confident | 89.7 | Confident | 153 Ų | 153 | 57 Ų | 57 | 60% | 0.6 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.5 | -43.8 | 179 | -177.9 | -99.4 | 0 | 0 | 0 | 112.5 | T99 V104 R105 | T99-Y101 VanDerWaalsContact C-N 3.26Å; T99-Y101 PolarHBondContact O-N 3.01Å; Y101-V104 PolarHBondContact O-N 3.15Å; Y101-R105 WeakPolarHBondContact O-CB 3.03Å; Y101-R105 PolarHBondContact O-N 3.4Å |
| 102 | E | 88.6 | Confident | 89.6 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 43% | 0.425 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 177.7 | -74.1 | 161.7 | 150.6 | 0 | 0 | 112.1 | C98 T99 F100 V104 R105 L106 | C98-E102 WeakPolarHBondContact CB-OE2 3.46Å; T99-E102 PolarHBondContact N-OE2 2.93Å; T99-E102 PolarHBondContact O-N 3.43Å; T99-E102 VanDerWaalsContact OG1-CD 3.25Å; T99-E102 VanDerWaalsContact OG1-CG 3.22Å; T99-E102 WeakPolarHBondContact OG1-CG 3.19Å; T99-E102 PolarHBondContact OG1-N 3.33Å; T99-E102 VanDerWaalsContact OG1-N 3.17Å; T99-E102 PolarHBondContact OG1-OE2 3.4Å; F100-E102 PolarHBondContact O-N 2.95Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.42Å; E102-R105 PolarHBondContact O-N 3.39Å; E102-L106 WeakPolarHBondContact O-CG 3.28Å; E102-L106 PolarHBondContact O-N 3.18Å |
| 103 | K | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 177.7 | -62.4 | 167.2 | -174.5 | -77.2 | 0 | 111.2 | L74 L75 A94 C98 T99 F100 L106 A107 L115 I117 | L74-K103 PolarHBondContact O-NZ 3.4Å; L75-K103 HydrophobicContact CD2-CB 4.49Å; L75-K103 WeakPolarHBondContact O-CG 3.2Å; A94-K103 PolarHBondContact O-NZ 2.62Å; A94-K103 VanDerWaalsContact O-NZ 3.13Å; C98-K103 WeakPolarHBondContact SG-CE 3.22Å; C98-K103 PolarHBondContact SG-NZ 3.37Å; C98-K103 VanDerWaalsContact SG-NZ 3.45Å; T99-K103 WeakPolarHBondContact O-CG 3.32Å; T99-K103 PolarHBondContact O-N 2.91Å; F100-K103 PolarHBondContact O-N 3.32Å; K103-L106 PolarHBondContact O-N 2.87Å; K103-A107 WeakPolarHBondContact O-CB 3.34Å; K103-A107 PolarHBondContact O-N 2.9Å; K103-L115 HydrophobicContact CB-CD2 3.66Å; K103-I117 HydrophobicContact CD-CD1 3.87Å; K103-I117 HydrophobicContact CD-CG1 4.45Å |
| 104 | V | 87.5 | Confident | 89.1 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 9% | 0.085 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 179.6 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | F100 Y101 E102 L106 A107 Q108 L115 A138 | F100-V104 WeakPolarHBondContact O-CB 3.38Å; F100-V104 WeakPolarHBondContact O-CG2 3.05Å; F100-V104 PolarHBondContact O-N 2.92Å; Y101-V104 PolarHBondContact O-N 3.15Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.42Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 2.96Å; V104-A107 PolarHBondContact O-N 3.21Å; V104-Q108 HydrophobicContact CG1-CG 4.11Å; V104-Q108 VanDerWaalsContact CG1-NE2 3.26Å; V104-Q108 WeakPolarHBondContact O-CB 3.49Å; V104-Q108 VanDerWaalsContact O-CG 3.25Å; V104-Q108 WeakPolarHBondContact O-CG 3.46Å; V104-Q108 PolarHBondContact O-N 2.03Å; V104-L115 HydrophobicContact CG2-CD2 3.87Å; V104-A138 HydrophobicContact CB-CB 4.13Å; V104-A138 HydrophobicContact CG1-CB 3.57Å; V104-A138 HydrophobicContact CG2-CB 3.38Å |
| 105 | R | 88.4 | Confident | 89.1 | Confident | 174 Ų | 174 | 59.5 Ų | 59.5 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.4 | -43.4 | 177.2 | -175.8 | -179.1 | 178.1 | -170.4 | 0.1 | 112.1 | Y101 E102 G109 | Y101-R105 WeakPolarHBondContact O-CB 3.03Å; Y101-R105 PolarHBondContact O-N 3.4Å; E102-R105 PolarHBondContact O-N 3.39Å; R105-G109 PolarHBondContact O-N 3.31Å |
| 106 | L | 92.8 | Very high | 89.1 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66 | -45.6 | 177.1 | -72.1 | 169.9 | 0 | 0 | 0 | 111.9 | L75 L81 E102 K103 V104 S110 | L75-L106 HydrophobicContact CD1-CB 4.49Å; L75-L106 HydrophobicContact CG-CB 4.31Å; L75-L106 WeakPolarHBondContact O-CD1 3.3Å; L81-L106 HydrophobicContact CD1-CD2 4.45Å; L81-L106 HydrophobicContact CD2-CB 4.42Å; E102-L106 WeakPolarHBondContact O-CG 3.28Å; E102-L106 PolarHBondContact O-N 3.18Å; K103-L106 PolarHBondContact O-N 2.87Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 2.96Å; L106-S110 WeakPolarHBondContact O-CB 3.39Å; L106-S110 PolarHBondContact O-N 2.79Å; L106-S110 VanDerWaalsContact O-N 3.13Å |
| 107 | A | 92.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -51.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L75 F86 K103 V104 G109 S110 G111 A112 L115 | L75-A107 HydrophobicContact CD2-CB 3.93Å; F86-A107 HydrophobicContact CE2-CB 4.44Å; K103-A107 WeakPolarHBondContact O-CB 3.34Å; K103-A107 PolarHBondContact O-N 2.9Å; V104-A107 PolarHBondContact O-N 3.21Å; A107-G109 PolarHBondContact O-N 2.96Å; A107-S110 CarbonylContact O-C 3.6Å; A107-S110 PolarHBondContact O-N 3.32Å; A107-S110 VanDerWaalsContact O-N 3.09Å; A107-G111 PolarHBondContact O-N 2.9Å; A107-A112 HydrophobicContact CB-CB 3.86Å; A107-A112 WeakPolarHBondContact O-CB 3.43Å; A107-A112 PolarHBondContact O-N 3.3Å; A107-L115 HydrophobicContact CB-CB 4.21Å; A107-L115 HydrophobicContact CB-CD1 4.02Å; A107-L115 HydrophobicContact CB-CD2 4.25Å; A107-L115 HydrophobicContact CB-CG 4.4Å |
| 108 | Q | 89.1 | Confident | 89 | Confident | 89 Ų | 89 | 49.6 Ų | 49.6 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.9 | -72.7 | 168.8 | -15.3 | 0 | 0 | 111.3 | V104 S110 G111 R139 | V104-Q108 HydrophobicContact CG1-CG 4.11Å; V104-Q108 VanDerWaalsContact CG1-NE2 3.26Å; V104-Q108 WeakPolarHBondContact O-CB 3.49Å; V104-Q108 VanDerWaalsContact O-CG 3.25Å; V104-Q108 WeakPolarHBondContact O-CG 3.46Å; V104-Q108 PolarHBondContact O-N 2.03Å; Q108-S110 PolarHBondContact O-N 2.89Å; Q108-S110 VanDerWaalsContact O-N 3.11Å; Q108-G111 PolarHBondContact O-N 3.48Å; Q108-R139 PolarHBondContact NE2-O 3.29Å |
| 109 | G | 90 | Very high | 88.5 | Confident | 75 Ų | 75 | 49 Ų | 49 | 77% | 0.773 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.6 | -19.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R105 A107 | R105-G109 PolarHBondContact O-N 3.31Å; A107-G109 PolarHBondContact O-N 2.96Å |
| 110 | S | 93 | Very high | 87.8 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 17.4 | 177 | -158.3 | 0 | 0 | 0 | 0 | 113.4 | G85 F86 L106 A107 Q108 | G85-S110 WeakPolarHBondContact CA-OG 3.33Å; F86-S110 PolarHBondContact N-O 3.37Å; L106-S110 WeakPolarHBondContact O-CB 3.39Å; L106-S110 PolarHBondContact O-N 2.79Å; L106-S110 VanDerWaalsContact O-N 3.13Å; A107-S110 CarbonylContact O-C 3.6Å; A107-S110 PolarHBondContact O-N 3.32Å; A107-S110 VanDerWaalsContact O-N 3.09Å; Q108-S110 PolarHBondContact O-N 2.89Å; Q108-S110 VanDerWaalsContact O-N 3.11Å |
| 111 | G | 90.4 | Very high | 86.9 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 22.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N88 A107 Q108 | N88-G111 PolarHBondContact N-O 3.11Å; A107-G111 PolarHBondContact O-N 2.9Å; Q108-G111 PolarHBondContact O-N 3.48Å |
| 112 | A | 91.9 | Very high | 85.7 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | trans | -68.5 | 144.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F86 Q89 P91 A107 | F86-A112 HydrophobicContact CB-CB 3.85Å; F86-A112 HydrophobicContact CD2-CB 3.88Å; F86-A112 HydrophobicContact CG-CB 4.14Å; Q89-A112 WeakPolarHBondContact O-CA 3.3Å; P91-A112 HydrophobicContact CG-CB 4.13Å; A107-A112 HydrophobicContact CB-CB 3.86Å; A107-A112 WeakPolarHBondContact O-CB 3.43Å; A107-A112 PolarHBondContact O-N 3.3Å | ||
| 113 | R | 88.3 | Confident | 84.1 | Confident | 95 Ų | 95 | 53.6 Ų | 53.6 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -91.5 | -14.2 | 175.8 | -164.9 | 52.8 | -75.9 | 165.3 | 21.3 | 113.6 | L65 Q89 R139 | L65-R113 HydrophobicContact CD1-CB 4.02Å; L65-R113 HydrophobicContact CD1-CG 3.71Å; L65-R113 HydrophobicContact CD2-CG 4.43Å; Q89-R113 PolarHBondContact O-N 3.48Å; R113-R139 PolarHBondContact NH2-OXT 2.98Å |
| 114 | G | 87.6 | Confident | 82 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | trans | -168.9 | 172.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | P91 A138 | P91-G114 VanDerWaalsContact CD-O 3.3Å; P91-G114 WeakPolarHBondContact CD-O 3.44Å; G114-A138 CarbonylContact C-O 3.59Å; G114-A138 VanDerWaalsContact CA-O 3.25Å; G114-A138 WeakPolarHBondContact CA-O 3.42Å | ||
| 115 | L | 88.9 | Confident | 80 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 132.9 | 177 | 179.2 | 67.7 | 0 | 0 | 0 | 108.8 | L75 P91 V93 K103 V104 A107 I117 A137 A138 | L75-L115 HydrophobicContact CD2-CD1 3.9Å; L75-L115 HydrophobicContact CD2-CD2 4.43Å; P91-L115 HydrophobicContact CB-CD1 4.35Å; P91-L115 HydrophobicContact CG-CD1 3.76Å; V93-L115 HydrophobicContact CB-CD1 4.35Å; V93-L115 HydrophobicContact CG1-CD1 3.76Å; V93-L115 HydrophobicContact CG2-CD1 3.66Å; V93-L115 HydrophobicContact CG2-CD2 4.32Å; V93-L115 HydrophobicContact CG2-CG 4.15Å; K103-L115 HydrophobicContact CB-CD2 3.66Å; V104-L115 HydrophobicContact CG2-CD2 3.87Å; A107-L115 HydrophobicContact CB-CB 4.21Å; A107-L115 HydrophobicContact CB-CD1 4.02Å; A107-L115 HydrophobicContact CB-CD2 4.25Å; A107-L115 HydrophobicContact CB-CG 4.4Å; L115-I117 HydrophobicContact CD2-CD1 4.12Å; L115-I117 HydrophobicContact CD2-CG1 3.98Å; L115-I117 HydrophobicContact CG-CG1 4.08Å; L115-A137 VanDerWaalsContact O-CA 3.29Å; L115-A137 WeakPolarHBondContact O-CA 3.5Å; L115-A138 PolarHBondContact N-O 3.19Å; L115-A138 VanDerWaalsContact N-O 3.12Å |
| 116 | L | 90.3 | Very high | 77.6 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.3 | 172 | -67.5 | -179 | 0 | 0 | 0 | 109.7 | V30 L67 I90 P91 L92 V93 V135 S136 A137 | V30-L116 HydrophobicContact CG2-CD2 4.47Å; L67-L116 HydrophobicContact CD1-CD1 3.72Å; I90-L116 HydrophobicContact CG2-CB 4.39Å; I90-L116 HydrophobicContact CG2-CD1 3.89Å; I90-L116 HydrophobicContact CG2-CG 3.62Å; P91-L116 PolarHBondContact O-N 3.45Å; L92-L116 CarbonylContact C-O 2.86Å; L92-L116 VanDerWaalsContact CA-O 3.3Å; L92-L116 WeakPolarHBondContact CA-O 3.49Å; L92-L116 HydrophobicContact CD1-CB 4.14Å; L92-L116 HydrophobicContact CD1-CD1 3.95Å; L92-L116 HydrophobicContact CG-CB 4.09Å; V93-L116 PolarHBondContact N-O 2.94Å; L116-V135 HydrophobicContact CB-CG1 3.45Å; L116-V135 VanDerWaalsContact CB-CG1 3.45Å; L116-V135 HydrophobicContact CD1-CG1 4.22Å; L116-V135 HydrophobicContact CD2-CG1 3.39Å; L116-V135 HydrophobicContact CG-CG1 3.8Å; L116-S136 WeakPolarHBondContact CA-O 3.4Å; L116-A137 HydrophobicContact CD2-CB 4.04Å |
| 117 | I | 88.4 | Confident | 75.2 | Confident | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111 | -178.7 | -53.7 | 176.4 | 0 | 0 | 0 | 109.3 | V93 R95 F100 K103 L115 V135 S136 | V93-I117 HydrophobicContact CG2-CB 4.39Å; V93-I117 HydrophobicContact CG2-CG1 3.91Å; V93-I117 HydrophobicContact CG2-CG2 4.47Å; V93-I117 CarbonylContact O-C 3.58Å; V93-I117 WeakPolarHBondContact O-CA 3.32Å; R95-I117 HydrophobicContact CB-CG2 4.31Å; F100-I117 HydrophobicContact CB-CD1 4.07Å; F100-I117 HydrophobicContact CD1-CD1 3.42Å; F100-I117 VanDerWaalsContact CD1-CD1 3.42Å; F100-I117 HydrophobicContact CD1-CG2 4.41Å; F100-I117 HydrophobicContact CE1-CD1 4.1Å; F100-I117 HydrophobicContact CE1-CG2 4.11Å; F100-I117 HydrophobicContact CG-CD1 3.96Å; K103-I117 HydrophobicContact CD-CD1 3.87Å; K103-I117 HydrophobicContact CD-CG1 4.45Å; L115-I117 HydrophobicContact CD2-CD1 4.12Å; L115-I117 HydrophobicContact CD2-CG1 3.98Å; L115-I117 HydrophobicContact CG-CG1 4.08Å; I117-V135 WeakPolarHBondContact O-CA 3.47Å; I117-S136 PolarHBondContact N-O 3.4Å |
| 118 | V | 84.9 | Confident | 72.5 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.4 | 179.1 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | T71 L92 V93 R95 | T71-V118 HydrophobicContact CG2-CG2 4.33Å; L92-V118 HydrophobicContact CB-CG2 4.24Å; L92-V118 HydrophobicContact CD2-CG2 3.97Å; L92-V118 HydrophobicContact CG-CG2 4.07Å; V93-V118 PolarHBondContact O-N 2.98Å; R95-V118 PolarHBondContact N-O 3.32Å |
| 119 | S | 80.3 | Confident | 69.8 | Low | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | trans | -122.4 | 134.4 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | R95 E121 | R95-S119 WeakPolarHBondContact CD-OG 3.47Å; S119-E121 VanDerWaalsContact CB-O 3.28Å; S119-E121 WeakPolarHBondContact CB-O 3.31Å; S119-E121 PolarHBondContact OG-N 3.46Å; S119-E121 PolarHBondContact OG-O 2.91Å | ||
| 120 | R | 71.9 | Confident | 67 | Low | 253 Ų | 253 | 77.2 Ų | 77.2 | 96% | 0.955 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -76.5 | -31 | 170.5 | -63.6 | -173.2 | -174.9 | -158.9 | 1.8 | 111.7 | ||
| 121 | E | 66.3 | Low | 64.1 | Low | 140 Ų | 140 | 78.9 Ų | 78.9 | 65% | 0.654 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -86.7 | 153.7 | 172.7 | -64.4 | 172.6 | -170.3 | 0 | 0 | 109.9 | S119 L123 | S119-E121 VanDerWaalsContact CB-O 3.28Å; S119-E121 WeakPolarHBondContact CB-O 3.31Å; S119-E121 PolarHBondContact OG-N 3.46Å; S119-E121 PolarHBondContact OG-O 2.91Å; E121-L123 PolarHBondContact O-N 3.45Å |
| 122 | R | 56.6 | Low | 61.2 | Low | 86 Ų | 86 | 84.8 Ų | 84.8 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | trans | -60.1 | 133.6 | 174 | -60.3 | -167.9 | -168.7 | -176.2 | -4.8 | 109.7 | R95 L124 H130 L131 | R95-R122 PolarHBondContact NH1-O 2.89Å; R122-L124 HydrophobicContact CB-CD2 4.34Å; R122-L124 HydrophobicContact CB-CG 4.47Å; R122-L124 PolarHBondContact O-N 3.09Å; R122-H130 VanDerWaalsContact CZ-CG 3.46Å; R122-H130 VanDerWaalsContact NH1-CA 3.25Å; R122-H130 PolarHBondContact NH1-ND1 3.29Å; R122-H130 PolarHBondContact NH2-CD2 3.44Å; R122-H130 PolarHBondContact NH2-CE1 3.27Å; R122-H130 PolarHBondContact NH2-ND1 2.97Å; R122-H130 PolarHBondContact NH2-NE2 3.48Å; R122-L131 WeakPolarHBondContact CG-O 3.5Å | ||
| 123 | L | 54.8 | Low | 58.6 | Low | 13 Ų | 13 | 86.4 Ų | 86.4 | 7% | 0.068 | 42% | 0.42 | C | S | . | . | trans | -72 | 92.9 | 162.5 | -61.5 | -173.4 | 0 | 0 | 0 | 106.1 | L47 F100 E121 Q125 S134 | L47-L123 HydrophobicContact CD1-CB 4.32Å; F100-L123 HydrophobicContact CE1-CD2 4.5Å; F100-L123 HydrophobicContact CZ-CD1 4.17Å; F100-L123 HydrophobicContact CZ-CD2 3.77Å; E121-L123 PolarHBondContact O-N 3.45Å; L123-Q125 VanDerWaalsContact C-N 3.28Å; L123-Q125 PolarHBondContact O-N 3.05Å; L123-S134 WeakPolarHBondContact CD1-O 3.47Å; L123-S134 PolarHBondContact N-OG 3.12Å | ||
| 124 | L | 47.6 | Very low | 56.2 | Low | 151 Ų | 151 | 82.1 Ų | 82.1 | 79% | 0.791 | 41% | 0.405 | S | S | * | . | trans | -69.6 | 90.3 | 172.7 | -67.7 | 173.2 | 0 | 0 | 0 | 107.9 | R122 | R122-L124 HydrophobicContact CB-CD2 4.34Å; R122-L124 HydrophobicContact CB-CG 4.47Å; R122-L124 PolarHBondContact O-N 3.09Å | ||
| 125 | Q | 46.4 | Very low | 54.4 | Low | 70 Ų | 70 | 82.5 Ų | 82.5 | 33% | 0.327 | 41% | 0.405 | S | S | . | . | trans | -78.7 | 128 | 147.3 | -88.9 | 162.5 | -46.9 | 0 | 0 | 107 | C25 L123 H127 A128 | C25-Q125 VanDerWaalsContact SG-CD 3.55Å; C25-Q125 PolarHBondContact SG-NE2 2.97Å; C25-Q125 PolarHBondContact SG-OE1 2.99Å; L123-Q125 VanDerWaalsContact C-N 3.28Å; L123-Q125 PolarHBondContact O-N 3.05Å; Q125-H127 CarbonylContact O-C 3.58Å; Q125-H127 PolarHBondContact O-N 3.33Å; Q125-A128 PolarHBondContact O-N 3.03Å | ||
| 126 | R | 38.6 | Very low | 52.7 | Low | 242 Ų | 242 | 83.3 Ų | 83.3 | 91% | 0.913 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -54.2 | 114.1 | 168.5 | -80.1 | -176.5 | 168.4 | 168.3 | -2.9 | 106 | ||
| 127 | H | 40.6 | Very low | 51 | Low | 189 Ų | 189 | 83.7 Ų | 83.7 | 88% | 0.875 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 82.9 | 66 | -170.3 | -46.1 | -63.8 | 0 | 0 | 0 | 116.2 | Q125 | Q125-H127 CarbonylContact O-C 3.58Å; Q125-H127 PolarHBondContact O-N 3.33Å |
| 128 | A | 36.4 | Very low | 49.1 | Very low | 35 Ų | 35 | 84 Ų | 84 | 29% | 0.289 | 42% | 0.419 | S | S | . | . | trans | -158.3 | 122.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y27 Q125 | Y27-A128 WeakPolarHBondContact OH-CB 3.33Å; Q125-A128 PolarHBondContact O-N 3.03Å | ||
| 129 | G | 33.4 | Very low | 47.1 | Very low | 63 Ų | 63 | 88.3 Ų | 88.3 | 65% | 0.649 | 43% | 0.429 | S | S | * | . | trans | -59.1 | 151.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L131 | G129-L131 PolarHBondContact O-N 3.49Š| ||
| 130 | H | 31.1 | Very low | 45.4 | Very low | 138 Ų | 138 | 92.4 Ų | 92.4 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | trans | 7.4 | 79.5 | 155.6 | -141.7 | 115.2 | 0 | 0 | 0 | 118.1 | R122 | R122-H130 VanDerWaalsContact CZ-CG 3.46Å; R122-H130 VanDerWaalsContact NH1-CA 3.25Å; R122-H130 PolarHBondContact NH1-ND1 3.29Å; R122-H130 PolarHBondContact NH2-CD2 3.44Å; R122-H130 PolarHBondContact NH2-CE1 3.27Å; R122-H130 PolarHBondContact NH2-ND1 2.97Å; R122-H130 PolarHBondContact NH2-NE2 3.48Å | ||
| 131 | L | 31.8 | Very low | 44 | Very low | 57 Ų | 57 | 83.9 Ų | 83.9 | 30% | 0.298 | 42% | 0.422 | S | S | . | . | trans | -117.3 | 111.9 | 165 | -73.6 | 163.1 | 0 | 0 | 0 | 109.5 | Y27 R122 G129 | Y27-L131 HydrophobicContact CE1-CD1 3.81Å; R122-L131 WeakPolarHBondContact CG-O 3.5Å; G129-L131 PolarHBondContact O-N 3.49Å | ||
| 132 | H | 28.9 | Very low | 42.8 | Very low | 158 Ų | 158 | 80.8 Ų | 80.8 | 73% | 0.731 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -73.1 | 118.5 | 164.3 | -100.5 | -109 | 0 | 0 | 0 | 107.9 | ||
| 133 | G | 36.9 | Very low | 41.9 | Very low | 39 Ų | 39 | 80.5 Ų | 80.5 | 40% | 0.402 | 41% | 0.414 | S | S | . | . | S | Bend | trans | 77.6 | 72 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 134 | S | 37.5 | Very low | 41.1 | Very low | 5 Ų | 5 | 84.8 Ų | 84.8 | 4% | 0.035 | 44% | 0.436 | C | S | . | . | trans | -83 | 125.9 | 174 | -31.9 | 0 | 0 | 0 | 0 | 109.4 | L123 | L123-S134 WeakPolarHBondContact CD1-O 3.47Å; L123-S134 PolarHBondContact N-OG 3.12Å | ||
| 135 | V | 50.1 | Low | 40.7 | Very low | 19 Ų | 19 | 80.3 Ų | 80.3 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.4 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | I46 L47 L116 I117 | I46-V135 CarbonylContact C-O 3.55Å; I46-V135 WeakPolarHBondContact CA-O 3.43Å; I46-V135 VanDerWaalsContact CB-O 3.23Å; I46-V135 WeakPolarHBondContact CB-O 3.23Å; I46-V135 HydrophobicContact CG2-CB 3.93Å; I46-V135 HydrophobicContact CG2-CG1 4.11Å; L47-V135 PolarHBondContact N-O 2.97Å; L116-V135 HydrophobicContact CB-CG1 3.45Å; L116-V135 VanDerWaalsContact CB-CG1 3.45Å; L116-V135 HydrophobicContact CD1-CG1 4.22Å; L116-V135 HydrophobicContact CD2-CG1 3.39Å; L116-V135 HydrophobicContact CG-CG1 3.8Å; I117-V135 WeakPolarHBondContact O-CA 3.47Å |
| 136 | S | 54 | Low | 40.3 | Very low | 19 Ų | 19 | 81.1 Ų | 81.1 | 13% | 0.133 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.4 | 173.8 | -94.6 | 0 | 0 | 0 | 0 | 111.6 | L47 L116 I117 | L47-S136 WeakPolarHBondContact O-CA 3.3Å; L47-S136 WeakPolarHBondContact O-CB 3.3Å; L47-S136 PolarHBondContact O-OG 3.26Å; L116-S136 WeakPolarHBondContact CA-O 3.4Å; I117-S136 PolarHBondContact N-O 3.4Å |
| 137 | A | 54.4 | Low | 40.4 | Very low | 19 Ų | 19 | 68.7 Ų | 68.7 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | I46 L47 L115 L116 | I46-A137 HydrophobicContact CD1-CB 3.58Å; L47-A137 PolarHBondContact O-N 3.3Å; L115-A137 VanDerWaalsContact O-CA 3.29Å; L115-A137 WeakPolarHBondContact O-CA 3.5Å; L116-A137 HydrophobicContact CD2-CB 4.04Å |
| 138 | A | 48.3 | Very low | 40.4 | Very low | 9 Ų | 9 | 58.7 Ų | 58.7 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 142.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | V104 G114 L115 | V104-A138 HydrophobicContact CB-CB 4.13Å; V104-A138 HydrophobicContact CG1-CB 3.57Å; V104-A138 HydrophobicContact CG2-CB 3.38Å; G114-A138 CarbonylContact C-O 3.59Å; G114-A138 VanDerWaalsContact CA-O 3.25Å; G114-A138 WeakPolarHBondContact CA-O 3.42Å; L115-A138 PolarHBondContact N-O 3.19Å; L115-A138 VanDerWaalsContact N-O 3.12Å |
| 139 | R | 42.3 | Very low | 40.8 | Very low | 143 Ų | 143 | 60.8 Ų | 60.8 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | trans | -84.4 | 0 | -175 | 175 | 173.9 | -154.7 | -162.5 | 8.8 | 111.2 | A53 Q108 R113 | A53-R139 HydrophobicContact CB-CB 3.56Å; Q108-R139 PolarHBondContact NE2-O 3.29Å; R113-R139 PolarHBondContact NH2-OXT 2.98Å |
Retrieved 139 of 139 residues in 37.4 ms
(Link to these results)