| 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 | 56.4 | Low | 74.2 | Confident | 221 Ų | 221 | 120.1 Ų | 120.1 | 100% | 1.089 | 61% | 0.606 | S | S | * | * | 0 | 99.9 | 0 | -79.9 | 172.1 | 64.8 | 0 | 0 | 106.7 | I3 | M1-I3 PolarHBondContact O-N 3.23Š| |||
| 2 | D | 72.3 | Confident | 74.3 | Confident | 109 Ų | 109 | 117.7 Ų | 117.7 | 58% | 0.583 | 61% | 0.607 | S | S | * | * | trans | -72.7 | 110.6 | -166.3 | -64.3 | -64.8 | 0 | 0 | 0 | 112.1 | W4 L5 L6 | D2-W4 PolarHBondContact O-N 3.24Å; D2-L5 HydrophobicContact CB-CB 4.44Å; D2-L5 HydrophobicContact CB-CD1 3.93Å; D2-L5 HydrophobicContact CB-CG 4Å; D2-L5 WeakPolarHBondContact O-CB 3.26Å; D2-L5 PolarHBondContact O-N 2.63Å; D2-L6 PolarHBondContact O-N 3.31Å | ||
| 3 | I | 77.1 | Confident | 74 | Confident | 143 Ų | 143 | 118.4 Ų | 118.4 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -50.3 | -28.9 | 171.9 | -78.4 | 158.1 | 0 | 0 | 0 | 111.9 | M1 L6 C7 | M1-I3 PolarHBondContact O-N 3.23Å; I3-L6 PolarHBondContact O-N 3.07Å; I3-C7 PolarHBondContact O-N 2.86Å; I3-C7 VanDerWaalsContact O-N 3.08Å |
| 4 | W | 78.1 | Confident | 73.6 | Confident | 164 Ų | 164 | 120.3 Ų | 120.3 | 62% | 0.621 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67 | -40.6 | 177.3 | -168.2 | 41.4 | 0 | 0 | 0 | 113.3 | D2 L6 C7 W8 | D2-W4 PolarHBondContact O-N 3.24Å; W4-L6 VanDerWaalsContact C-N 3.33Å; W4-L6 PolarHBondContact O-N 2.91Å; W4-C7 PolarHBondContact O-N 2.88Å; W4-W8 HydrophobicContact CD2-CH2 4.26Å; W4-W8 HydrophobicContact CD2-CZ2 4.37Å; W4-W8 HydrophobicContact CD2-CZ3 4.31Å; W4-W8 AromaticContact CE2-CE2 3.74Å; W4-W8 AromaticContact CE2-CH2 3.63Å; W4-W8 AromaticContact CE2-CZ2 3.42Å; W4-W8 VanDerWaalsContact CE2-CZ2 3.42Å; W4-W8 HydrophobicContact CE3-CH2 4.32Å; W4-W8 HydrophobicContact CE3-CZ3 4.23Å; W4-W8 AromaticContact CH2-CH2 3.21Å; W4-W8 HydrophobicContact CH2-CH2 3.21Å; W4-W8 AromaticContact CH2-CZ2 3.74Å; W4-W8 HydrophobicContact CH2-CZ2 3.74Å; W4-W8 AromaticContact CH2-CZ3 3.87Å; W4-W8 HydrophobicContact CH2-CZ3 3.87Å; W4-W8 AromaticContact CZ2-CE2 3.89Å; W4-W8 AromaticContact CZ2-CH2 3.11Å; W4-W8 HydrophobicContact CZ2-CH2 3.11Å; W4-W8 AromaticContact CZ2-CZ2 3.08Å; W4-W8 HydrophobicContact CZ2-CZ2 3.08Å; W4-W8 AromaticContact CZ2-CZ3 3.94Å; W4-W8 HydrophobicContact CZ2-CZ3 3.94Å; W4-W8 AromaticContact CZ3-CH2 3.83Å; W4-W8 HydrophobicContact CZ3-CH2 3.83Å; W4-W8 AromaticContact CZ3-CZ3 4Å; W4-W8 HydrophobicContact CZ3-CZ3 4Å; W4-W8 AromaticContact NE1-CE2 3.62Å; W4-W8 AromaticContact NE1-CZ2 3.74Å; W4-W8 AromaticContact NE1-NE1 3.8Å; W4-W8 PolarHBondContact O-N 3Å; W4-W8 VanDerWaalsContact O-N 3.09Å |
| 5 | L | 75.6 | Confident | 73.1 | Confident | 96 Ų | 96 | 117.8 Ų | 117.8 | 50% | 0.503 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.6 | -41.2 | 176 | -68.8 | 171.2 | 0 | 0 | 0 | 110.8 | D2 C7 W8 V9 | D2-L5 HydrophobicContact CB-CB 4.44Å; D2-L5 HydrophobicContact CB-CD1 3.93Å; D2-L5 HydrophobicContact CB-CG 4Å; D2-L5 WeakPolarHBondContact O-CB 3.26Å; D2-L5 PolarHBondContact O-N 2.63Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 3.17Å; L5-W8 PolarHBondContact O-N 2.86Å; L5-V9 VanDerWaalsContact O-CG2 3.29Å; L5-V9 WeakPolarHBondContact O-CG2 3.49Å; L5-V9 PolarHBondContact O-N 3.08Å |
| 6 | L | 74.8 | Confident | 72.4 | Confident | 110 Ų | 110 | 114.4 Ų | 114.4 | 58% | 0.576 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.2 | -41.8 | 176.3 | -71.6 | 166.3 | 0 | 0 | 0 | 111.4 | D2 I3 W4 V9 T10 | D2-L6 PolarHBondContact O-N 3.31Å; I3-L6 PolarHBondContact O-N 3.07Å; W4-L6 VanDerWaalsContact C-N 3.33Å; W4-L6 PolarHBondContact O-N 2.91Å; L6-V9 PolarHBondContact O-N 2.91Å; L6-T10 WeakPolarHBondContact O-CG2 3.42Å; L6-T10 PolarHBondContact O-N 2.69Å; L6-T10 PolarHBondContact O-OG1 3.36Å |
| 7 | C | 78.9 | Confident | 71.5 | Confident | 71 Ų | 71 | 111.4 Ų | 111.4 | 48% | 0.48 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.3 | -38.2 | 179.3 | -165.1 | 0 | 0 | 0 | 0 | 112.9 | I3 W4 L5 T10 L11 | I3-C7 PolarHBondContact O-N 2.86Å; I3-C7 VanDerWaalsContact O-N 3.08Å; W4-C7 PolarHBondContact O-N 2.88Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 3.17Å; C7-T10 WeakPolarHBondContact CA-OG1 2.91Å; C7-T10 PolarHBondContact O-OG1 3.32Å; C7-L11 WeakPolarHBondContact O-CB 3.38Å; C7-L11 PolarHBondContact O-N 3.14Å |
| 8 | W | 76.9 | Confident | 70.6 | Confident | 130 Ų | 130 | 114.3 Ų | 114.3 | 49% | 0.492 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.8 | -41.4 | 175 | -80.9 | -16.7 | 0 | 0 | 0 | 112.9 | W4 L5 T10 L11 C12 | W4-W8 HydrophobicContact CD2-CH2 4.26Å; W4-W8 HydrophobicContact CD2-CZ2 4.37Å; W4-W8 HydrophobicContact CD2-CZ3 4.31Å; W4-W8 AromaticContact CE2-CE2 3.74Å; W4-W8 AromaticContact CE2-CH2 3.63Å; W4-W8 AromaticContact CE2-CZ2 3.42Å; W4-W8 VanDerWaalsContact CE2-CZ2 3.42Å; W4-W8 HydrophobicContact CE3-CH2 4.32Å; W4-W8 HydrophobicContact CE3-CZ3 4.23Å; W4-W8 AromaticContact CH2-CH2 3.21Å; W4-W8 HydrophobicContact CH2-CH2 3.21Å; W4-W8 AromaticContact CH2-CZ2 3.74Å; W4-W8 HydrophobicContact CH2-CZ2 3.74Å; W4-W8 AromaticContact CH2-CZ3 3.87Å; W4-W8 HydrophobicContact CH2-CZ3 3.87Å; W4-W8 AromaticContact CZ2-CE2 3.89Å; W4-W8 AromaticContact CZ2-CH2 3.11Å; W4-W8 HydrophobicContact CZ2-CH2 3.11Å; W4-W8 AromaticContact CZ2-CZ2 3.08Å; W4-W8 HydrophobicContact CZ2-CZ2 3.08Å; W4-W8 AromaticContact CZ2-CZ3 3.94Å; W4-W8 HydrophobicContact CZ2-CZ3 3.94Å; W4-W8 AromaticContact CZ3-CH2 3.83Å; W4-W8 HydrophobicContact CZ3-CH2 3.83Å; W4-W8 AromaticContact CZ3-CZ3 4Å; W4-W8 HydrophobicContact CZ3-CZ3 4Å; W4-W8 AromaticContact NE1-CE2 3.62Å; W4-W8 AromaticContact NE1-CZ2 3.74Å; W4-W8 AromaticContact NE1-NE1 3.8Å; W4-W8 PolarHBondContact O-N 3Å; W4-W8 VanDerWaalsContact O-N 3.09Å; L5-W8 PolarHBondContact O-N 2.86Å; W8-T10 VanDerWaalsContact C-N 3.32Å; W8-T10 PolarHBondContact O-N 2.96Å; W8-L11 PolarHBondContact O-N 2.92Å; W8-C12 WeakPolarHBondContact O-CB 3.21Å; W8-C12 PolarHBondContact O-N 2.63Å; W8-C12 PolarHBondContact O-SG 2.86Å |
| 9 | V | 77.4 | Confident | 69.9 | Low | 87 Ų | 87 | 113.9 Ų | 113.9 | 53% | 0.527 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.8 | -41.8 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | L5 L6 C12 L13 | L5-V9 VanDerWaalsContact O-CG2 3.29Å; L5-V9 WeakPolarHBondContact O-CG2 3.49Å; L5-V9 PolarHBondContact O-N 3.08Å; L6-V9 PolarHBondContact O-N 2.91Å; V9-C12 PolarHBondContact O-N 2.82Å; V9-L13 HydrophobicContact CG1-CD1 4Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.33Å; V9-L13 PolarHBondContact O-N 2.86Å |
| 10 | T | 73.7 | Confident | 69.1 | Low | 77 Ų | 77 | 115.2 Ų | 115.2 | 47% | 0.472 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.3 | -39.9 | 176.6 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | L6 C7 W8 L13 L14 | L6-T10 WeakPolarHBondContact O-CG2 3.42Å; L6-T10 PolarHBondContact O-N 2.69Å; L6-T10 PolarHBondContact O-OG1 3.36Å; C7-T10 WeakPolarHBondContact CA-OG1 2.91Å; C7-T10 PolarHBondContact O-OG1 3.32Å; W8-T10 VanDerWaalsContact C-N 3.32Å; W8-T10 PolarHBondContact O-N 2.96Å; T10-L13 PolarHBondContact O-N 3.15Å; T10-L14 WeakPolarHBondContact O-CG 3.21Å; T10-L14 PolarHBondContact O-N 3.1Å |
| 11 | L | 75.1 | Confident | 68.7 | Low | 113 Ų | 113 | 114 Ų | 114 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.8 | -40.2 | 176.9 | -152.3 | 81.1 | 0 | 0 | 0 | 111.9 | C7 W8 L14 A15 | C7-L11 WeakPolarHBondContact O-CB 3.38Å; C7-L11 PolarHBondContact O-N 3.14Å; W8-L11 PolarHBondContact O-N 2.92Å; L11-L14 PolarHBondContact O-N 2.83Å; L11-A15 WeakPolarHBondContact O-CB 3.25Å; L11-A15 PolarHBondContact O-N 2.59Å |
| 12 | C | 75.5 | Confident | 69.2 | Low | 91 Ų | 91 | 106 Ų | 106 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.7 | -39.6 | 175.9 | -71 | 0 | 0 | 0 | 0 | 112.5 | W8 V9 A15 A16 | W8-C12 WeakPolarHBondContact O-CB 3.21Å; W8-C12 PolarHBondContact O-N 2.63Å; W8-C12 PolarHBondContact O-SG 2.86Å; V9-C12 PolarHBondContact O-N 2.82Å; C12-A15 PolarHBondContact O-N 2.82Å; C12-A16 PolarHBondContact O-N 2.9Å |
| 13 | L | 70.6 | Confident | 69.4 | Low | 127 Ų | 127 | 103.2 Ų | 103.2 | 67% | 0.665 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.3 | -35 | 177.4 | -73 | 168.5 | 0 | 0 | 0 | 112.5 | V9 T10 | V9-L13 HydrophobicContact CG1-CD1 4Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.33Å; V9-L13 PolarHBondContact O-N 2.86Å; T10-L13 PolarHBondContact O-N 3.15Å |
| 14 | L | 67.9 | Low | 69.8 | Low | 145 Ų | 145 | 100 Ų | 100 | 76% | 0.759 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.2 | -32.5 | 174.8 | -71.7 | 166.5 | 0 | 0 | 0 | 112.5 | T10 L11 | T10-L14 WeakPolarHBondContact O-CG 3.21Å; T10-L14 PolarHBondContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 2.83Å |
| 15 | A | 66.7 | Low | 70.4 | Confident | 83 Ų | 83 | 94.5 Ų | 94.5 | 69% | 0.686 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -77.4 | -21.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L11 C12 G17 | L11-A15 WeakPolarHBondContact O-CB 3.25Å; L11-A15 PolarHBondContact O-N 2.59Å; C12-A15 PolarHBondContact O-N 2.82Å; A15-G17 PolarHBondContact O-N 3Å |
| 16 | A | 61.7 | Low | 71.3 | Confident | 64 Ų | 64 | 94 Ų | 94 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -71.9 | 67.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | C12 H18 | C12-A16 PolarHBondContact O-N 2.9Å; A16-H18 PolarHBondContact O-N 3.18Å; A16-H18 VanDerWaalsContact O-N 3.1Å |
| 17 | G | 57.7 | Low | 72.3 | Confident | 62 Ų | 62 | 90.9 Ų | 90.9 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | trans | -55.5 | 117.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | A15 S19 | A15-G17 PolarHBondContact O-N 3Å; G17-S19 VanDerWaalsContact C-N 3.28Å; G17-S19 PolarHBondContact O-N 3.19Å | ||
| 18 | H | 54 | Low | 73 | Confident | 164 Ų | 164 | 98.4 Ų | 98.4 | 76% | 0.759 | 57% | 0.572 | S | S | * | * | trans | -60.6 | 94.8 | 168.4 | -109.2 | 65.1 | 0 | 0 | 0 | 107.5 | A16 E20 | A16-H18 PolarHBondContact O-N 3.18Å; A16-H18 VanDerWaalsContact O-N 3.1Å; H18-E20 IonicContact CD2-OE1 3.49Å; H18-E20 PolarHBondContact CD2-OE1 2.96Å; H18-E20 PolarHBondContact O-N 2.87Å | ||
| 19 | S | 57.9 | Low | 73.9 | Confident | 108 Ų | 108 | 100.4 Ų | 100.4 | 76% | 0.755 | 59% | 0.586 | S | S | * | * | trans | -72.5 | 77.6 | 157.5 | 61.9 | 0 | 0 | 0 | 0 | 106.3 | G17 P21 | G17-S19 VanDerWaalsContact C-N 3.28Å; G17-S19 PolarHBondContact O-N 3.19Å; S19-P21 WeakPolarHBondContact O-CD 3.39Å | ||
| 20 | E | 54.7 | Low | 74.7 | Confident | 138 Ų | 138 | 102.1 Ų | 102.1 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | trans | -48.9 | 126.1 | 165.2 | -82.4 | -72.6 | 161.3 | 0 | 0 | 106.9 | H18 G22 | H18-E20 IonicContact CD2-OE1 3.49Å; H18-E20 PolarHBondContact CD2-OE1 2.96Å; H18-E20 PolarHBondContact O-N 2.87Å; E20-G22 PolarHBondContact O-N 2.75Å | ||
| 21 | P | 59.3 | Low | 75.8 | Confident | 92 Ų | 92 | 105.2 Ų | 105.2 | 60% | 0.597 | 61% | 0.605 | S | S | * | * | trans | -60.7 | 84.9 | 170.2 | -18.2 | 30.9 | 0 | 0 | 0 | 108.2 | S19 V23 | S19-P21 WeakPolarHBondContact O-CD 3.39Å; P21-V23 PolarHBondContact O-N 2.81Å | ||
| 22 | G | 66.9 | Low | 76.8 | Confident | 52 Ų | 52 | 102.4 Ų | 102.4 | 54% | 0.536 | 59% | 0.592 | S | S | . | * | trans | -81.1 | 123.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | E20 S24 | E20-G22 PolarHBondContact O-N 2.75Å; G22-S24 PolarHBondContact O-N 2.89Å | ||
| 23 | V | 76.9 | Confident | 77.8 | Confident | 51 Ų | 51 | 104 Ų | 104 | 31% | 0.309 | 60% | 0.595 | S | S | . | * | trans | -60.8 | 121.3 | 160.8 | 170.6 | 0 | 0 | 0 | 0 | 108.7 | P21 Q25 C42 Y111 S113 | P21-V23 PolarHBondContact O-N 2.81Å; V23-Q25 HydrophobicContact CG1-CG 4.24Å; V23-C42 WeakPolarHBondContact CG1-SG 3.49Å; V23-Y111 HydrophobicContact CG1-CD1 3.37Å; V23-Y111 HydrophobicContact CG1-CE1 3.93Å; V23-Y111 HydrophobicContact CG1-CG 4.32Å; V23-Y111 HydrophobicContact CG2-CD1 4.48Å; V23-S113 VanDerWaalsContact CG2-OG 3.28Å; V23-S113 WeakPolarHBondContact CG2-OG 3.35Å | ||
| 24 | S | 85.4 | Confident | 79.1 | Confident | 74 Ų | 74 | 104.7 Ų | 104.7 | 52% | 0.517 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 107.2 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | G22 C42 D43 | G22-S24 PolarHBondContact O-N 2.89Å; S24-C42 WeakPolarHBondContact O-CA 3.49Å; S24-C42 PolarHBondContact O-SG 2.9Å; S24-D43 PolarHBondContact N-O 2.9Å; S24-D43 PolarHBondContact O-N 3.42Å; S24-D43 VanDerWaalsContact O-N 3.14Å |
| 25 | Q | 91.4 | Very high | 80.5 | Confident | 50 Ų | 50 | 99.3 Ų | 99.3 | 23% | 0.234 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.9 | 173.9 | -67.9 | -170.8 | -94.8 | 0 | 0 | 111.9 | V23 R41 C42 Y109 Y111 | V23-Q25 HydrophobicContact CG1-CG 4.24Å; Q25-R41 CarbonylContact C-O 3.58Å; Q25-R41 WeakPolarHBondContact CA-O 3.14Å; Q25-C42 HydrophobicContact CG-CB 4.1Å; Q25-Y109 PolarHBondContact NE2-O 2.83Å; Q25-Y111 VanDerWaalsContact CD-N 3.31Å; Q25-Y111 VanDerWaalsContact NE2-CB 3.35Å; Q25-Y111 VanDerWaalsContact NE2-N 3.15Å; Q25-Y111 VanDerWaalsContact OE1-N 3.09Å |
| 26 | T | 93.4 | Very high | 82 | Confident | 84 Ų | 84 | 100.6 Ų | 100.6 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.4 | 178.2 | -59.9 | 0 | 0 | 0 | 0 | 111 | R41 | T26-R41 PolarHBondContact N-O 3.43Å; T26-R41 PolarHBondContact O-N 3.17Å |
| 27 | P | 95.9 | Very high | 83.7 | Confident | 46 Ų | 46 | 101.4 Ų | 101.4 | 30% | 0.299 | 56% | 0.561 | S | S | . | * | cis | -76.3 | 156.7 | -10.2 | 34.4 | -36.8 | 0 | 0 | 0 | 111.8 | H29 K30 L40 | P27-H29 VanDerWaalsContact C-N 3.33Å; P27-K30 HydrophobicContact CG-CB 3.85Å; P27-K30 HydrophobicContact CG-CD 4.39Å; P27-K30 HydrophobicContact CG-CG 4.46Å; P27-L40 HydrophobicContact CG-CD2 4.42Å | ||
| 28 | R | 93.5 | Very high | 85.6 | Confident | 229 Ų | 229 | 99.2 Ų | 99.2 | 86% | 0.864 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -67.2 | -35.2 | 171.7 | -69.7 | -174.4 | 176.3 | -163 | -1.5 | 112.7 | ||
| 29 | H | 95 | Very high | 87.7 | Confident | 171 Ų | 171 | 94 Ų | 94 | 79% | 0.792 | 51% | 0.512 | S | S | * | . | trans | -136.9 | 136.4 | 177 | -55.7 | -76.9 | 0 | 0 | 0 | 109.3 | P27 | P27-H29 VanDerWaalsContact C-N 3.33Š| ||
| 30 | K | 96 | Very high | 89.6 | Confident | 124 Ų | 124 | 89.8 Ų | 89.8 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | trans | -137.9 | 123.7 | 174.9 | -175.3 | 66 | 173 | -179.1 | 0 | 109.2 | P27 V38 | P27-K30 HydrophobicContact CG-CB 3.85Å; P27-K30 HydrophobicContact CG-CD 4.39Å; P27-K30 HydrophobicContact CG-CG 4.46Å; K30-V38 HydrophobicContact CG-CG1 4.25Å | ||
| 31 | V | 95.9 | Very high | 91.5 | Very high | 142 Ų | 142 | 90.6 Ų | 90.6 | 86% | 0.861 | 48% | 0.478 | S | S | * | . | trans | -109.3 | 136.1 | 166.9 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 32 | T | 96.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 86.3 Ų | 86.3 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | trans | -145.8 | 159.2 | -177.1 | -159.4 | 0 | 0 | 0 | 0 | 110.5 | Q36 V38 A101 | T32-Q36 VanDerWaalsContact OG1-CB 3.26Å; T32-Q36 WeakPolarHBondContact OG1-CB 3.35Å; T32-V38 HydrophobicContact CG2-CG2 3.48Å; T32-V38 VanDerWaalsContact CG2-CG2 3.48Å; T32-A101 HydrophobicContact CG2-CB 3.94Å | ||
| 33 | N | 97.2 | Very high | 93.9 | Very high | 126 Ų | 126 | 88.6 Ų | 88.6 | 67% | 0.674 | 45% | 0.45 | S | S | * | . | trans | -78 | 155.9 | 171.7 | -67.1 | -34.8 | 0 | 0 | 0 | 110.6 | Q36 | N33-Q36 HydrophobicContact CB-CG 3.88Å; N33-Q36 WeakPolarHBondContact O-CB 3.39Å; N33-Q36 PolarHBondContact O-N 3.5Å | ||
| 34 | M | 97 | Very high | 93.9 | Very high | 141 Ų | 141 | 86.6 Ų | 86.6 | 70% | 0.695 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 144.7 | 171.3 | -61 | -168.6 | -50.2 | 0 | 0 | 110.7 | Q36 A101 P103 | M34-Q36 PolarHBondContact O-N 3.04Å; M34-A101 WeakPolarHBondContact CA-O 3.22Å; M34-P103 HydrophobicContact CG-CG 4.05Å; M34-P103 HydrophobicContact SD-CG 3.42Å; M34-P103 WeakPolarHBondContact SD-CG 3.49Å |
| 35 | G | 97.6 | Very high | 93.1 | Very high | 32 Ų | 32 | 85 Ų | 85 | 33% | 0.33 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -18.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H99 A101 | G35-H99 PolarHBondContact O-CE1 3.44Å; G35-H99 PolarHBondContact O-ND1 2.94Å; G35-A101 PolarHBondContact N-O 3.04Å |
| 36 | Q | 97.9 | Very high | 92 | Very high | 110 Ų | 110 | 88.7 Ų | 88.7 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | trans | -75.3 | 159.6 | 179.2 | -63.3 | -63.6 | -66.2 | 0 | 0 | 111.7 | T32 N33 M34 A101 | T32-Q36 VanDerWaalsContact OG1-CB 3.26Å; T32-Q36 WeakPolarHBondContact OG1-CB 3.35Å; N33-Q36 HydrophobicContact CB-CG 3.88Å; N33-Q36 WeakPolarHBondContact O-CB 3.39Å; N33-Q36 PolarHBondContact O-N 3.5Å; M34-Q36 PolarHBondContact O-N 3.04Å; Q36-A101 WeakPolarHBondContact O-CB 3.36Å; Q36-A101 PolarHBondContact O-N 3.31Å | ||
| 37 | E | 98.1 | Very high | 90.9 | Very high | 80 Ų | 80 | 88.1 Ų | 88.1 | 37% | 0.374 | 47% | 0.469 | S | S | . | . | trans | -79.2 | 140.4 | 174.8 | -176.5 | -177 | 73.6 | 0 | 0 | 111.3 | I39 K97 H99 | E37-I39 HydrophobicContact CG-CD1 4.37Å; E37-I39 HydrophobicContact CG-CG1 3.96Å; E37-I39 WeakPolarHBondContact OE1-CD1 3.48Å; E37-K97 HydrophobicContact CG-CD 4.4Å; E37-K97 HydrophobicContact CG-CG 4.27Å; E37-K97 WeakPolarHBondContact OE2-CD 3.38Å; E37-K97 WeakPolarHBondContact OE2-CE 3.41Å; E37-K97 IonicContact OE2-NZ 3.32Å; E37-K97 PolarHBondContact OE2-NZ 2.84Å; E37-H99 HydrophobicContact CB-CB 4.33Å; E37-H99 HydrophobicContact CG-CB 4.26Å | ||
| 38 | V | 98 | Very high | 90.1 | Very high | 16 Ų | 16 | 88.1 Ų | 88.1 | 10% | 0.097 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129 | 167.1 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | K30 T32 L40 K97 I98 A101 | K30-V38 HydrophobicContact CG-CG1 4.25Å; T32-V38 HydrophobicContact CG2-CG2 3.48Å; T32-V38 VanDerWaalsContact CG2-CG2 3.48Å; V38-L40 HydrophobicContact CG1-CD2 4.14Å; V38-L40 HydrophobicContact CG1-CG 4.34Å; V38-K97 CarbonylContact O-C 3.57Å; V38-K97 WeakPolarHBondContact O-CA 3.46Å; V38-I98 HydrophobicContact CB-CB 4.3Å; V38-I98 PolarHBondContact N-O 3.14Å; V38-I98 PolarHBondContact O-N 2.84Å; V38-A101 HydrophobicContact CG2-CB 4.12Å |
| 39 | I | 97.8 | Very high | 89.7 | Confident | 55 Ų | 55 | 81.1 Ų | 81.1 | 28% | 0.282 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.6 | 174.8 | -62.7 | 178.7 | 0 | 0 | 0 | 108 | E37 R41 T95 K97 | E37-I39 HydrophobicContact CG-CD1 4.37Å; E37-I39 HydrophobicContact CG-CG1 3.96Å; E37-I39 WeakPolarHBondContact OE1-CD1 3.48Å; I39-R41 HydrophobicContact CG2-CG 3.96Å; I39-T95 HydrophobicContact CG2-CG2 3.51Å; I39-K97 HydrophobicContact CG1-CG 4.47Å |
| 40 | L | 97.2 | Very high | 89.5 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 10% | 0.099 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.7 | 170.2 | -53.6 | 179 | 0 | 0 | 0 | 108.2 | P27 V38 W53 T95 L96 Y109 | P27-L40 HydrophobicContact CG-CD2 4.42Å; V38-L40 HydrophobicContact CG1-CD2 4.14Å; V38-L40 HydrophobicContact CG1-CG 4.34Å; L40-W53 HydrophobicContact CB-CH2 3.85Å; L40-W53 HydrophobicContact CB-CZ3 4.09Å; L40-W53 HydrophobicContact CD1-CZ3 4.34Å; L40-T95 CarbonylContact O-C 3.54Å; L40-T95 VanDerWaalsContact O-CA 3.31Å; L40-T95 WeakPolarHBondContact O-CA 3.09Å; L40-L96 HydrophobicContact CB-CB 4.39Å; L40-L96 HydrophobicContact CD1-CD2 4.36Å; L40-L96 PolarHBondContact N-O 3.37Å; L40-L96 PolarHBondContact O-N 3.06Å; L40-Y109 HydrophobicContact CD1-CD1 4.23Å; L40-Y109 HydrophobicContact CD1-CD2 3.99Å; L40-Y109 HydrophobicContact CD1-CG 3.58Å |
| 41 | R | 95.2 | Very high | 89.4 | Confident | 156 Ų | 156 | 70.8 Ų | 70.8 | 59% | 0.589 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.1 | -179.2 | -62.2 | -177.6 | 179.1 | -175 | -1.9 | 109.5 | Q25 T26 I39 S94 T95 | Q25-R41 CarbonylContact C-O 3.58Å; Q25-R41 WeakPolarHBondContact CA-O 3.14Å; T26-R41 PolarHBondContact N-O 3.43Å; T26-R41 PolarHBondContact O-N 3.17Å; I39-R41 HydrophobicContact CG2-CG 3.96Å; R41-S94 CarbonylContact C-O 3.56Å; R41-S94 WeakPolarHBondContact CA-O 3.32Å; R41-T95 HydrophobicContact CG-CG2 4.42Å |
| 42 | C | 91.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137.1 | 169.9 | -164.6 | 0 | 0 | 0 | 0 | 110.8 | V23 S24 Q25 W53 S93 S94 Y111 | V23-C42 WeakPolarHBondContact CG1-SG 3.49Å; S24-C42 WeakPolarHBondContact O-CA 3.49Å; S24-C42 PolarHBondContact O-SG 2.9Å; Q25-C42 HydrophobicContact CG-CB 4.1Å; C42-W53 HydrophobicContact CB-CH2 4.3Å; C42-W53 HydrophobicContact CB-CZ2 4.2Å; C42-S93 CarbonylContact O-C 3.5Å; C42-S93 WeakPolarHBondContact O-CA 3.35Å; C42-S93 WeakPolarHBondContact O-CB 3.18Å; C42-S94 PolarHBondContact N-O 3.06Å; C42-S94 PolarHBondContact O-N 3.1Å; C42-Y111 HydrophobicContact CB-CD1 3.8Å; C42-Y111 HydrophobicContact CB-CD2 3.56Å; C42-Y111 HydrophobicContact CB-CE1 3.94Å; C42-Y111 HydrophobicContact CB-CE2 3.77Å; C42-Y111 HydrophobicContact CB-CG 3.51Å; C42-Y111 WeakPolarHBondContact SG-CD1 3.3Å; C42-Y111 WeakPolarHBondContact SG-CE1 3.29Å |
| 43 | D | 84.3 | Confident | 89.3 | Confident | 99 Ų | 99 | 63.6 Ų | 63.6 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 103.4 | 171 | -163.2 | 4.7 | 0 | 0 | 0 | 108.2 | S24 | S24-D43 PolarHBondContact N-O 2.9Å; S24-D43 PolarHBondContact O-N 3.42Å; S24-D43 VanDerWaalsContact O-N 3.14Å |
| 44 | P | 77.1 | Confident | 89.2 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 7% | 0.065 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 151.5 | 174.5 | 31.3 | -32.6 | 0 | 0 | 0 | 109.8 | S46 H48 T92 Y111 | P44-S46 PolarHBondContact O-N 3.33Å; P44-H48 HydrophobicContact CB-CB 4.42Å; P44-T92 WeakPolarHBondContact CD-O 3.4Å; P44-T92 WeakPolarHBondContact CG-O 3.42Å; P44-Y111 HydrophobicContact CB-CE1 4.29Å; P44-Y111 WeakPolarHBondContact CG-OH 3.31Å |
| 45 | S | 68.9 | Low | 89.2 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 135.2 | 162.2 | 41.8 | 0 | 0 | 0 | 0 | 109.4 | G47 H48 | S45-G47 PolarHBondContact O-N 3.28Å; S45-H48 PolarHBondContact O-CD2 2.97Å; S45-H48 VanDerWaalsContact O-CD2 3.22Å; S45-H48 PolarHBondContact OG-NE2 2.88Å |
| 46 | S | 68.8 | Low | 89.1 | Confident | 127 Ų | 127 | 57.7 Ų | 57.7 | 89% | 0.888 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | 133.2 | -172.7 | 57 | 0 | 0 | 0 | 0 | 112.5 | P44 | P44-S46 PolarHBondContact O-N 3.33Š|
| 47 | G | 70.4 | Confident | 88.7 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 74% | 0.742 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.2 | -12.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S45 M49 | S45-G47 PolarHBondContact O-N 3.28Å; G47-M49 PolarHBondContact O-N 2.62Å |
| 48 | H | 78 | Confident | 88.2 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 21% | 0.213 | 31% | 0.311 | C | S | . | . | trans | -66.4 | 119.2 | 175.5 | -72.7 | -77.9 | 0 | 0 | 0 | 111.3 | P44 S45 R88 S113 G114 | P44-H48 HydrophobicContact CB-CB 4.42Å; S45-H48 PolarHBondContact O-CD2 2.97Å; S45-H48 VanDerWaalsContact O-CD2 3.22Å; S45-H48 PolarHBondContact OG-NE2 2.88Å; H48-R88 PolarHBondContact O-NH2 3.49Å; H48-S113 PolarHBondContact CD2-OG 3.11Å; H48-G114 PolarHBondContact ND1-OXT 3.44Å | ||
| 49 | M | 86.5 | Confident | 87.8 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | trans | -81.9 | -35.1 | -177.5 | -65.3 | -178.4 | -74.9 | 0 | 0 | 111.2 | G47 Q69 Y70 R88 G114 | G47-M49 PolarHBondContact O-N 2.62Å; M49-Q69 WeakPolarHBondContact O-CA 3.21Å; M49-Y70 HydrophobicContact CB-CE1 4.43Å; M49-Y70 HydrophobicContact CG-CD1 4.44Å; M49-Y70 HydrophobicContact CG-CE1 3.76Å; M49-Y70 HydrophobicContact CG-CE2 4.47Å; M49-Y70 PolarHBondContact O-N 3.32Å; M49-Y70 HydrophobicContact SD-CE1 4.09Å; M49-Y70 HydrophobicContact SD-CE2 4.21Å; M49-Y70 VanDerWaalsContact SD-CZ 3.54Å; M49-Y70 PolarHBondContact SD-OH 3.05Å; M49-R88 PolarHBondContact O-NH1 3.13Å; M49-G114 PolarHBondContact N-O 3.11Å | ||
| 50 | F | 90.6 | Very high | 87.1 | Confident | 78 Ų | 78 | 73 Ų | 73 | 34% | 0.342 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.8 | -175 | -64.8 | -84.2 | 0 | 0 | 0 | 110.6 | F68 Q69 S113 G114 | F50-F68 WeakPolarHBondContact CA-O 3.45Å; F50-Q69 HydrophobicContact CD1-CB 4Å; F50-Q69 HydrophobicContact CD1-CG 4.05Å; F50-Q69 HydrophobicContact CE1-CB 3.75Å; F50-Q69 HydrophobicContact CE1-CG 3.45Å; F50-Q69 VanDerWaalsContact CE1-CG 3.45Å; F50-Q69 HydrophobicContact CZ-CG 3.81Å; F50-S113 CarbonylContact O-C 3.53Å; F50-S113 WeakPolarHBondContact O-CA 3.24Å; F50-G114 PolarHBondContact N-O 3.4Å; F50-G114 VanDerWaalsContact N-O 3.13Å; F50-G114 PolarHBondContact O-N 3.23Å |
| 51 | V | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152.5 | 175.3 | -52.7 | 0 | 0 | 0 | 0 | 110.8 | S67 F68 Y111 S112 | V51-S67 CarbonylContact O-C 3.55Å; V51-S67 WeakPolarHBondContact O-CA 3.26Å; V51-F68 HydrophobicContact CG2-CB 3.87Å; V51-F68 HydrophobicContact CG2-CD2 4Å; V51-F68 HydrophobicContact CG2-CG 4.39Å; V51-F68 PolarHBondContact N-O 3.31Å; V51-F68 PolarHBondContact O-N 3.05Å; V51-Y111 HydrophobicContact CB-CE1 4.29Å; V51-Y111 HydrophobicContact CB-CE2 3.69Å; V51-Y111 WeakPolarHBondContact CB-OH 3.39Å; V51-Y111 HydrophobicContact CG1-CE1 4.19Å; V51-Y111 HydrophobicContact CG1-CE2 4.22Å; V51-Y111 WeakPolarHBondContact CG1-OH 3.46Å; V51-Y111 HydrophobicContact CG2-CE2 3.87Å; V51-S112 CarbonylContact C-O 3.56Å; V51-S112 VanDerWaalsContact CA-O 3.25Å; V51-S112 WeakPolarHBondContact CA-O 3.48Å |
| 52 | H | 94.2 | Very high | 86.8 | Confident | 45 Ų | 45 | 73 Ų | 73 | 21% | 0.208 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134.7 | -170.1 | -49.7 | 78.9 | 0 | 0 | 0 | 109.2 | Y54 L64 S67 Y111 S112 | H52-Y54 HydrophobicContact CB-CD2 4.16Å; H52-Y54 HydrophobicContact CB-CE2 3.38Å; H52-L64 HydrophobicContact CB-CD1 4.09Å; H52-S67 PolarHBondContact CD2-OG 3.02Å; H52-Y111 WeakPolarHBondContact O-CA 3.46Å; H52-S112 PolarHBondContact N-O 2.98Å; H52-S112 PolarHBondContact ND1-OG 3.05Å; H52-S112 PolarHBondContact O-N 3.4Å |
| 53 | W | 96.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.7 | 165.8 | -77 | 100.3 | 0 | 0 | 0 | 109.5 | L40 C42 L65 I66 S94 L96 Y111 | L40-W53 HydrophobicContact CB-CH2 3.85Å; L40-W53 HydrophobicContact CB-CZ3 4.09Å; L40-W53 HydrophobicContact CD1-CZ3 4.34Å; C42-W53 HydrophobicContact CB-CH2 4.3Å; C42-W53 HydrophobicContact CB-CZ2 4.2Å; W53-L65 HydrophobicContact CB-CB 4.21Å; W53-L65 HydrophobicContact CB-CD1 4.41Å; W53-L65 VanDerWaalsContact O-CB 3.32Å; W53-L65 WeakPolarHBondContact O-CB 2.93Å; W53-L65 PolarHBondContact O-N 2.84Å; W53-I66 HydrophobicContact CB-CG2 4.01Å; W53-I66 HydrophobicContact CG-CG2 4.38Å; W53-I66 PolarHBondContact N-O 2.79Å; W53-S94 PolarHBondContact NE1-OG 3.38Å; W53-L96 HydrophobicContact CB-CD2 4.47Å; W53-L96 HydrophobicContact CD2-CB 3.78Å; W53-L96 HydrophobicContact CD2-CD2 4.03Å; W53-L96 HydrophobicContact CD2-CG 4.45Å; W53-L96 HydrophobicContact CE3-CB 4.02Å; W53-L96 HydrophobicContact CE3-CD2 3.78Å; W53-L96 HydrophobicContact CG-CB 4.33Å; W53-L96 HydrophobicContact CG-CD2 4.35Å; W53-L96 HydrophobicContact CH2-CB 4.12Å; W53-L96 HydrophobicContact CZ2-CB 3.9Å; W53-L96 HydrophobicContact CZ3-CB 4.17Å; W53-L96 HydrophobicContact CZ3-CD2 4.33Å; W53-Y111 HydrophobicContact CD2-CD2 4.02Å; W53-Y111 AromaticContact CE2-CD2 3.59Å; W53-Y111 HydrophobicContact CH2-CD2 4.26Å; W53-Y111 AromaticContact CZ2-CD2 3.72Å; W53-Y111 HydrophobicContact CZ2-CD2 3.72Å; W53-Y111 HydrophobicContact CZ2-CE2 4.43Å; W53-Y111 AromaticContact NE1-CD2 3.83Å |
| 54 | Y | 95.9 | Very high | 87.5 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 26% | 0.259 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 157.1 | 173.2 | -58.8 | -92 | 0 | 0 | 0 | 111 | H52 M62 K63 L64 Y109 L110 | H52-Y54 HydrophobicContact CB-CD2 4.16Å; H52-Y54 HydrophobicContact CB-CE2 3.38Å; Y54-M62 HydrophobicContact CD1-CG 4.01Å; Y54-M62 HydrophobicContact CG-CG 4.36Å; Y54-M62 HydrophobicContact CG-SD 4.32Å; Y54-K63 CarbonylContact C-O 3.57Å; Y54-K63 VanDerWaalsContact CA-O 3.25Å; Y54-K63 WeakPolarHBondContact CA-O 3.2Å; Y54-L64 HydrophobicContact CD1-CB 4.16Å; Y54-L64 HydrophobicContact CD1-CD1 4.07Å; Y54-L64 HydrophobicContact CE1-CB 4.01Å; Y54-L64 HydrophobicContact CE1-CD1 3.63Å; Y54-L64 HydrophobicContact CE1-CG 4.42Å; Y54-L64 HydrophobicContact CE2-CD1 4.5Å; Y54-Y109 WeakPolarHBondContact O-CA 3.41Å; Y54-L110 PolarHBondContact N-O 3.42Å; Y54-L110 PolarHBondContact O-N 3.33Å |
| 55 | R | 95.8 | Very high | 88.4 | Confident | 53 Ų | 53 | 75.9 Ų | 75.9 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.8 | 170.1 | -176.9 | 179 | 176.5 | -163.1 | -11.6 | 109.5 | K63 L65 R104 A107 Y109 | R55-K63 PolarHBondContact N-O 3.05Å; R55-K63 PolarHBondContact O-N 3.01Å; R55-L65 HydrophobicContact CB-CD1 3.97Å; R55-L65 HydrophobicContact CB-CD2 3.87Å; R55-L65 HydrophobicContact CB-CG 3.94Å; R55-R104 PolarHBondContact NH2-O 3.09Å; R55-A107 HydrophobicContact CG-CB 3.72Å; R55-Y109 HydrophobicContact CB-CD1 4.28Å; R55-Y109 HydrophobicContact CB-CE1 4.14Å; R55-Y109 HydrophobicContact CG-CD1 4.31Å; R55-Y109 HydrophobicContact CG-CE1 3.88Å; R55-Y109 PolarHBondContact NE-OH 3.49Å |
| 56 | Q | 95.6 | Very high | 89.8 | Confident | 55 Ų | 55 | 74 Ų | 74 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.7 | 171.7 | -165 | 176.7 | 31.7 | 0 | 0 | 109.7 | Q60 E61 M62 A107 V108 | Q56-Q60 PolarHBondContact NE2-O 3.27Å; Q56-E61 WeakPolarHBondContact CA-O 3.23Å; Q56-M62 HydrophobicContact CB-CE 3.73Å; Q56-M62 HydrophobicContact CB-SD 3.74Å; Q56-M62 HydrophobicContact CG-CE 3.81Å; Q56-M62 HydrophobicContact CG-SD 4.29Å; Q56-A107 WeakPolarHBondContact O-CA 3.44Å; Q56-A107 VanDerWaalsContact O-CB 3.23Å; Q56-A107 WeakPolarHBondContact O-CB 3.39Å; Q56-V108 HydrophobicContact CB-CB 4.24Å; Q56-V108 PolarHBondContact N-O 3.2Å; Q56-V108 PolarHBondContact O-N 3.08Å |
| 57 | N | 90.7 | Very high | 91 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.214 | 33% | 0.331 | C | S | . | . | trans | -77.5 | 174.2 | 177.1 | 68.4 | 22.4 | 0 | 0 | 0 | 111.8 | R59 Q60 E61 | N57-R59 PolarHBondContact O-N 2.85Å; N57-R59 VanDerWaalsContact O-N 3.11Å; N57-R59 WeakPolarHBondContact OD1-CA 3.4Å; N57-R59 WeakPolarHBondContact OD1-CB 3.34Å; N57-R59 PolarHBondContact OD1-N 2.81Å; N57-Q60 WeakPolarHBondContact O-CA 3.45Å; N57-Q60 PolarHBondContact O-N 3.32Å; N57-Q60 PolarHBondContact OD1-N 2.97Å; N57-E61 PolarHBondContact N-O 3.26Å; N57-E61 VanDerWaalsContact N-O 3.17Å; N57-E61 PolarHBondContact ND2-OE2 3.32Å; N57-E61 WeakPolarHBondContact OD1-CB 3.35Å; N57-E61 PolarHBondContact OD1-N 3.27Å | ||
| 58 | L | 87 | Confident | 92.2 | Very high | 160 Ų | 160 | 65 Ų | 65 | 84% | 0.838 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.3 | 178.2 | -66.5 | 175 | 0 | 0 | 0 | 113.9 | Q60 | L58-Q60 PolarHBondContact O-N 2.93Š|
| 59 | R | 89.4 | Confident | 92.9 | Very high | 228 Ų | 228 | 66.9 Ų | 66.9 | 86% | 0.86 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 12.8 | 173.7 | -59.6 | -176.2 | -179.6 | -168.7 | -0.5 | 112.3 | N57 E61 | N57-R59 PolarHBondContact O-N 2.85Å; N57-R59 VanDerWaalsContact O-N 3.11Å; N57-R59 WeakPolarHBondContact OD1-CA 3.4Å; N57-R59 WeakPolarHBondContact OD1-CB 3.34Å; N57-R59 PolarHBondContact OD1-N 2.81Å; R59-E61 PolarHBondContact O-N 3.05Å |
| 60 | Q | 83.9 | Confident | 93 | Very high | 155 Ų | 155 | 69 Ų | 69 | 72% | 0.724 | 31% | 0.31 | S | S | * | . | trans | 60.2 | 11.5 | -178.2 | -58.6 | -179.5 | -32.9 | 0 | 0 | 114.7 | Q56 N57 L58 M62 | Q56-Q60 PolarHBondContact NE2-O 3.27Å; N57-Q60 WeakPolarHBondContact O-CA 3.45Å; N57-Q60 PolarHBondContact O-N 3.32Å; N57-Q60 PolarHBondContact OD1-N 2.97Å; L58-Q60 PolarHBondContact O-N 2.93Å; Q60-M62 PolarHBondContact O-N 2.82Å | ||
| 61 | E | 91 | Very high | 93.1 | Very high | 93 Ų | 93 | 70.6 Ų | 70.6 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | trans | -73 | 119.5 | 175.7 | -173 | -167.6 | -177.7 | 0 | 0 | 108.7 | Q56 N57 R59 K63 | Q56-E61 WeakPolarHBondContact CA-O 3.23Å; N57-E61 PolarHBondContact N-O 3.26Å; N57-E61 VanDerWaalsContact N-O 3.17Å; N57-E61 PolarHBondContact ND2-OE2 3.32Å; N57-E61 WeakPolarHBondContact OD1-CB 3.35Å; N57-E61 PolarHBondContact OD1-N 3.27Å; R59-E61 PolarHBondContact O-N 3.05Å; E61-K63 WeakPolarHBondContact OE1-CE 3.45Å; E61-K63 IonicContact OE1-NZ 3.11Å; E61-K63 PolarHBondContact OE1-NZ 2.86Å; E61-K63 VanDerWaalsContact OE2-CE 3.23Å; E61-K63 WeakPolarHBondContact OE2-CE 3.43Å; E61-K63 IonicContact OE2-NZ 3.05Å; E61-K63 PolarHBondContact OE2-NZ 2.97Å | ||
| 62 | M | 93.5 | Very high | 93.1 | Very high | 82 Ų | 82 | 75.5 Ų | 75.5 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.6 | 177.5 | -164.6 | 66 | 70.3 | 0 | 0 | 110.1 | Y54 Q56 Q60 L110 | Y54-M62 HydrophobicContact CD1-CG 4.01Å; Y54-M62 HydrophobicContact CG-CG 4.36Å; Y54-M62 HydrophobicContact CG-SD 4.32Å; Q56-M62 HydrophobicContact CB-CE 3.73Å; Q56-M62 HydrophobicContact CB-SD 3.74Å; Q56-M62 HydrophobicContact CG-CE 3.81Å; Q56-M62 HydrophobicContact CG-SD 4.29Å; Q60-M62 PolarHBondContact O-N 2.82Å; M62-L110 HydrophobicContact CE-CD1 3.37Å; M62-L110 HydrophobicContact SD-CD1 3.94Å |
| 63 | K | 95.1 | Very high | 93.2 | Very high | 100 Ų | 100 | 78 Ų | 78 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.9 | 174.7 | -61.9 | -170.4 | -177.4 | -169.3 | 0 | 109.9 | Y54 R55 E61 | Y54-K63 CarbonylContact C-O 3.57Å; Y54-K63 VanDerWaalsContact CA-O 3.25Å; Y54-K63 WeakPolarHBondContact CA-O 3.2Å; R55-K63 PolarHBondContact N-O 3.05Å; R55-K63 PolarHBondContact O-N 3.01Å; E61-K63 WeakPolarHBondContact OE1-CE 3.45Å; E61-K63 IonicContact OE1-NZ 3.11Å; E61-K63 PolarHBondContact OE1-NZ 2.86Å; E61-K63 VanDerWaalsContact OE2-CE 3.23Å; E61-K63 WeakPolarHBondContact OE2-CE 3.43Å; E61-K63 IonicContact OE2-NZ 3.05Å; E61-K63 PolarHBondContact OE2-NZ 2.97Å |
| 64 | L | 96.4 | Very high | 93.1 | Very high | 53 Ų | 53 | 80.4 Ų | 80.4 | 28% | 0.277 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 134.9 | 163.9 | -177.9 | 66.1 | 0 | 0 | 0 | 108 | H52 Y54 V75 S77 | H52-L64 HydrophobicContact CB-CD1 4.09Å; Y54-L64 HydrophobicContact CD1-CB 4.16Å; Y54-L64 HydrophobicContact CD1-CD1 4.07Å; Y54-L64 HydrophobicContact CE1-CB 4.01Å; Y54-L64 HydrophobicContact CE1-CD1 3.63Å; Y54-L64 HydrophobicContact CE1-CG 4.42Å; Y54-L64 HydrophobicContact CE2-CD1 4.5Å; L64-V75 HydrophobicContact CD2-CB 4.46Å; L64-V75 HydrophobicContact CD2-CG1 3.87Å; L64-S77 WeakPolarHBondContact CD2-OG 3.47Å; L64-S77 WeakPolarHBondContact CG-OG 3.37Å; L64-S77 WeakPolarHBondContact O-CB 3.23Å; L64-S77 PolarHBondContact O-OG 2.82Å |
| 65 | L | 96.5 | Very high | 93.1 | Very high | 18 Ų | 18 | 80.4 Ų | 80.4 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -54.8 | 176.6 | -69.8 | -176.2 | 0 | 0 | 0 | 110.4 | W53 R55 S77 M79 L96 Y109 | W53-L65 HydrophobicContact CB-CB 4.21Å; W53-L65 HydrophobicContact CB-CD1 4.41Å; W53-L65 VanDerWaalsContact O-CB 3.32Å; W53-L65 WeakPolarHBondContact O-CB 2.93Å; W53-L65 PolarHBondContact O-N 2.84Å; R55-L65 HydrophobicContact CB-CD1 3.97Å; R55-L65 HydrophobicContact CB-CD2 3.87Å; R55-L65 HydrophobicContact CB-CG 3.94Å; L65-S77 WeakPolarHBondContact O-CB 3.44Å; L65-S77 PolarHBondContact O-N 3.31Å; L65-M79 HydrophobicContact CB-CG 3.84Å; L65-M79 HydrophobicContact CB-SD 3.57Å; L65-M79 VanDerWaalsContact CB-SD 3.57Å; L65-M79 HydrophobicContact CD1-SD 4.1Å; L65-M79 HydrophobicContact CD2-CG 3.88Å; L65-M79 HydrophobicContact CD2-SD 4.2Å; L65-M79 HydrophobicContact CG-CG 4.37Å; L65-M79 HydrophobicContact CG-SD 4.18Å; L65-L96 HydrophobicContact CD1-CD2 3.77Å; L65-Y109 HydrophobicContact CD1-CD1 4Å; L65-Y109 HydrophobicContact CD1-CE1 4.01Å |
| 66 | I | 97.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 81.3 Ų | 81.3 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 150.1 | -176.6 | -168.8 | 167 | 0 | 0 | 0 | 109.8 | W53 F68 I73 V75 M79 A86 | W53-I66 HydrophobicContact CB-CG2 4.01Å; W53-I66 HydrophobicContact CG-CG2 4.38Å; W53-I66 PolarHBondContact N-O 2.79Å; I66-F68 HydrophobicContact CD1-CE1 4.44Å; I66-F68 HydrophobicContact CD1-CE2 4.22Å; I66-F68 HydrophobicContact CD1-CZ 3.83Å; I66-F68 HydrophobicContact CG1-CE2 4.25Å; I66-F68 HydrophobicContact CG1-CZ 4.32Å; I66-F68 HydrophobicContact CG2-CE2 4.03Å; I66-I73 HydrophobicContact CD1-CD1 4.12Å; I66-I73 HydrophobicContact CD1-CG1 4.12Å; I66-I73 HydrophobicContact CD1-CG2 4.12Å; I66-I73 HydrophobicContact CG1-CG2 4.1Å; I66-V75 CarbonylContact C-O 3.53Å; I66-V75 WeakPolarHBondContact CA-O 2.85Å; I66-V75 VanDerWaalsContact CG1-O 3.26Å; I66-V75 WeakPolarHBondContact CG1-O 3.48Å; I66-M79 HydrophobicContact CB-CE 3.7Å; I66-M79 HydrophobicContact CD1-CE 3.98Å; I66-M79 HydrophobicContact CG1-CE 4.41Å; I66-M79 HydrophobicContact CG2-CE 3.72Å; I66-M79 HydrophobicContact CG2-SD 4.48Å; I66-A86 HydrophobicContact CD1-CB 4.27Å; I66-A86 HydrophobicContact CG2-CB 3.73Å |
| 67 | S | 95.5 | Very high | 93 | Very high | 6 Ų | 6 | 81.6 Ų | 81.6 | 4% | 0.042 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.1 | 172.7 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | V51 H52 A74 V75 | V51-S67 CarbonylContact O-C 3.55Å; V51-S67 WeakPolarHBondContact O-CA 3.26Å; H52-S67 PolarHBondContact CD2-OG 3.02Å; S67-A74 PolarHBondContact O-N 2.79Å; S67-V75 PolarHBondContact N-O 3Å; S67-V75 PolarHBondContact O-N 3.19Å |
| 68 | F | 94.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 82.6 Ų | 82.6 | 2% | 0.022 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140 | 172.2 | -60.9 | -93.1 | 0 | 0 | 0 | 111 | F50 V51 I66 N72 I73 A86 R88 | F50-F68 WeakPolarHBondContact CA-O 3.45Å; V51-F68 HydrophobicContact CG2-CB 3.87Å; V51-F68 HydrophobicContact CG2-CD2 4Å; V51-F68 HydrophobicContact CG2-CG 4.39Å; V51-F68 PolarHBondContact N-O 3.31Å; V51-F68 PolarHBondContact O-N 3.05Å; I66-F68 HydrophobicContact CD1-CE1 4.44Å; I66-F68 HydrophobicContact CD1-CE2 4.22Å; I66-F68 HydrophobicContact CD1-CZ 3.83Å; I66-F68 HydrophobicContact CG1-CE2 4.25Å; I66-F68 HydrophobicContact CG1-CZ 4.32Å; I66-F68 HydrophobicContact CG2-CE2 4.03Å; F68-N72 CarbonylContact C-O 3.55Å; F68-N72 WeakPolarHBondContact CA-O 3.32Å; F68-I73 HydrophobicContact CD1-CG1 4.17Å; F68-I73 HydrophobicContact CE1-CG1 3.74Å; F68-A86 HydrophobicContact CE2-CB 3.98Å; F68-A86 HydrophobicContact CZ-CB 3.88Å; F68-R88 HydrophobicContact CB-CB 4.36Å; F68-R88 HydrophobicContact CD1-CB 3.94Å; F68-R88 HydrophobicContact CD2-CB 4.23Å; F68-R88 HydrophobicContact CE1-CB 4.28Å; F68-R88 HydrophobicContact CG-CB 3.93Å |
| 69 | Q | 93 | Very high | 93.2 | Very high | 86 Ų | 86 | 75.5 Ų | 75.5 | 40% | 0.402 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 114.4 | 162.8 | -177.3 | -179.8 | 2 | 0 | 0 | 107.5 | M49 F50 Q71 N72 A74 | M49-Q69 WeakPolarHBondContact O-CA 3.21Å; F50-Q69 HydrophobicContact CD1-CB 4Å; F50-Q69 HydrophobicContact CD1-CG 4.05Å; F50-Q69 HydrophobicContact CE1-CB 3.75Å; F50-Q69 HydrophobicContact CE1-CG 3.45Å; F50-Q69 VanDerWaalsContact CE1-CG 3.45Å; F50-Q69 HydrophobicContact CZ-CG 3.81Å; Q69-Q71 PolarHBondContact O-N 2.66Å; Q69-N72 PolarHBondContact N-O 3.48Å; Q69-N72 PolarHBondContact O-N 2.98Å; Q69-A74 HydrophobicContact CB-CB 3.95Å |
| 70 | Y | 89.9 | Confident | 93.3 | Very high | 124 Ų | 124 | 67.4 Ų | 67.4 | 49% | 0.486 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -117.3 | -163.6 | -58.3 | -83.1 | 0 | 0 | 0 | 110.6 | M49 R88 | M49-Y70 HydrophobicContact CB-CE1 4.43Å; M49-Y70 HydrophobicContact CG-CD1 4.44Å; M49-Y70 HydrophobicContact CG-CE1 3.76Å; M49-Y70 HydrophobicContact CG-CE2 4.47Å; M49-Y70 PolarHBondContact O-N 3.32Å; M49-Y70 HydrophobicContact SD-CE1 4.09Å; M49-Y70 HydrophobicContact SD-CE2 4.21Å; M49-Y70 VanDerWaalsContact SD-CZ 3.54Å; M49-Y70 PolarHBondContact SD-OH 3.05Å; Y70-R88 WeakPolarHBondContact O-CD 3.42Å; Y70-R88 PolarHBondContact O-NH1 3.47Å |
| 71 | Q | 91.3 | Very high | 93.7 | Very high | 112 Ų | 112 | 64.7 Ų | 64.7 | 52% | 0.523 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -5.8 | 177.1 | 67 | -150.5 | 15.7 | 0 | 0 | 113.8 | Q69 R88 | Q69-Q71 PolarHBondContact O-N 2.66Å; Q71-R88 WeakPolarHBondContact CA-O 3.37Å; Q71-R88 WeakPolarHBondContact CB-O 3.25Å |
| 72 | N | 93.6 | Very high | 93.9 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 146.1 | -174.5 | -60.4 | -47.2 | 0 | 0 | 0 | 110.7 | F68 Q69 A74 | F68-N72 CarbonylContact C-O 3.55Å; F68-N72 WeakPolarHBondContact CA-O 3.32Å; Q69-N72 PolarHBondContact N-O 3.48Å; Q69-N72 PolarHBondContact O-N 2.98Å; N72-A74 PolarHBondContact O-N 2.84Å |
| 73 | I | 94.8 | Very high | 94.1 | Very high | 98 Ų | 98 | 65 Ų | 65 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 119.4 | 172.4 | -60 | 173.1 | 0 | 0 | 0 | 108.1 | I66 F68 D76 | I66-I73 HydrophobicContact CD1-CD1 4.12Å; I66-I73 HydrophobicContact CD1-CG1 4.12Å; I66-I73 HydrophobicContact CD1-CG2 4.12Å; I66-I73 HydrophobicContact CG1-CG2 4.1Å; F68-I73 HydrophobicContact CD1-CG1 4.17Å; F68-I73 HydrophobicContact CE1-CG1 3.74Å; I73-D76 HydrophobicContact CG2-CB 4.16Å |
| 74 | A | 95.3 | Very high | 94.2 | Very high | 50 Ų | 50 | 60.5 Ų | 60.5 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S67 Q69 N72 | S67-A74 PolarHBondContact O-N 2.79Å; Q69-A74 HydrophobicContact CB-CB 3.95Å; N72-A74 PolarHBondContact O-N 2.84Å |
| 75 | V | 96.1 | Very high | 94.2 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 39% | 0.394 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 134 | 177.3 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | L64 I66 S67 | L64-V75 HydrophobicContact CD2-CB 4.46Å; L64-V75 HydrophobicContact CD2-CG1 3.87Å; I66-V75 CarbonylContact C-O 3.53Å; I66-V75 WeakPolarHBondContact CA-O 2.85Å; I66-V75 VanDerWaalsContact CG1-O 3.26Å; I66-V75 WeakPolarHBondContact CG1-O 3.48Å; S67-V75 PolarHBondContact N-O 3Å; S67-V75 PolarHBondContact O-N 3.19Å |
| 76 | D | 94.8 | Very high | 94.2 | Very high | 73 Ų | 73 | 61.4 Ų | 61.4 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 109.2 | 169.7 | -168.9 | -12.9 | 0 | 0 | 0 | 108.3 | I73 G78 K81 | I73-D76 HydrophobicContact CG2-CB 4.16Å; D76-G78 PolarHBondContact O-N 2.86Å; D76-G78 PolarHBondContact OD1-N 3.3Å; D76-K81 IonicContact OD1-NZ 2.62Å; D76-K81 PolarHBondContact OD1-NZ 2.83Å; D76-K81 VanDerWaalsContact OD1-NZ 3.11Å; D76-K81 WeakPolarHBondContact OD2-CE 3.45Å; D76-K81 IonicContact OD2-NZ 3.8Å; D76-K81 PolarHBondContact OD2-NZ 3.23Å |
| 77 | S | 93.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 66.4 Ų | 66.4 | 42% | 0.42 | 36% | 0.361 | S | S | . | . | trans | -83 | 11.6 | -173.8 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | L64 L65 | L64-S77 WeakPolarHBondContact CD2-OG 3.47Å; L64-S77 WeakPolarHBondContact CG-OG 3.37Å; L64-S77 WeakPolarHBondContact O-CB 3.23Å; L64-S77 PolarHBondContact O-OG 2.82Å; L65-S77 WeakPolarHBondContact O-CB 3.44Å; L65-S77 PolarHBondContact O-N 3.31Å | ||
| 78 | G | 89.1 | Confident | 93.9 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 64% | 0.639 | 36% | 0.36 | S | S | * | . | trans | 86.3 | 41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | D76 | D76-G78 PolarHBondContact O-N 2.86Å; D76-G78 PolarHBondContact OD1-N 3.3Å | ||
| 79 | M | 92.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 69.1 Ų | 69.1 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | trans | -59.4 | 143.3 | 169 | -68.6 | -170.4 | -69.1 | 0 | 0 | 111 | L65 I66 K81 F84 A86 L96 | L65-M79 HydrophobicContact CB-CG 3.84Å; L65-M79 HydrophobicContact CB-SD 3.57Å; L65-M79 VanDerWaalsContact CB-SD 3.57Å; L65-M79 HydrophobicContact CD1-SD 4.1Å; L65-M79 HydrophobicContact CD2-CG 3.88Å; L65-M79 HydrophobicContact CD2-SD 4.2Å; L65-M79 HydrophobicContact CG-CG 4.37Å; L65-M79 HydrophobicContact CG-SD 4.18Å; I66-M79 HydrophobicContact CB-CE 3.7Å; I66-M79 HydrophobicContact CD1-CE 3.98Å; I66-M79 HydrophobicContact CG1-CE 4.41Å; I66-M79 HydrophobicContact CG2-CE 3.72Å; I66-M79 HydrophobicContact CG2-SD 4.48Å; M79-K81 PolarHBondContact O-N 3.3Å; M79-F84 HydrophobicContact CB-CB 3.92Å; M79-F84 HydrophobicContact CB-CG 4.49Å; M79-F84 HydrophobicContact CG-CB 4.48Å; M79-F84 HydrophobicContact SD-CB 3.92Å; M79-F84 HydrophobicContact SD-CD1 4.18Å; M79-F84 HydrophobicContact SD-CG 4.37Å; M79-A86 HydrophobicContact CE-CB 4.38Å; M79-L96 HydrophobicContact SD-CD1 4.09Å | ||
| 80 | P | 92.5 | Very high | 93.2 | Very high | 59 Ų | 59 | 71.5 Ų | 71.5 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | trans | -61 | 99.4 | 173.5 | -20.4 | 32.2 | 0 | 0 | 0 | 110.8 | E82 R83 F84 | P80-E82 PolarHBondContact O-N 3.27Å; P80-R83 PolarHBondContact O-N 2.86Å; P80-F84 HydrophobicContact CB-CD2 4.42Å; P80-F84 HydrophobicContact CG-CD2 4.38Å; P80-F84 PolarHBondContact O-N 3.39Å | ||
| 81 | K | 93 | Very high | 92.8 | Very high | 98 Ų | 98 | 66.5 Ų | 66.5 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.2 | -171 | -64.8 | -57.9 | -173.8 | -176.6 | 0 | 113.4 | D76 M79 R83 | D76-K81 IonicContact OD1-NZ 2.62Å; D76-K81 PolarHBondContact OD1-NZ 2.83Å; D76-K81 VanDerWaalsContact OD1-NZ 3.11Å; D76-K81 WeakPolarHBondContact OD2-CE 3.45Å; D76-K81 IonicContact OD2-NZ 3.8Å; D76-K81 PolarHBondContact OD2-NZ 3.23Å; M79-K81 PolarHBondContact O-N 3.3Å; K81-R83 PolarHBondContact O-N 3.07Å |
| 82 | E | 94.9 | Very high | 92.5 | Very high | 160 Ų | 160 | 64.9 Ų | 64.9 | 75% | 0.748 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -20 | 174.1 | -50 | 79 | -168.8 | 0 | 0 | 111.9 | P80 | P80-E82 PolarHBondContact O-N 3.27Š|
| 83 | R | 96.6 | Very high | 92.3 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | -31.6 | -176.1 | -50.1 | -168.2 | -59.3 | 105.9 | -6.5 | 115 | P80 K81 I98 H99 P100 E102 D105 | P80-R83 PolarHBondContact O-N 2.86Å; K81-R83 PolarHBondContact O-N 3.07Å; R83-I98 CarbonylContact O-C 3.59Å; R83-I98 WeakPolarHBondContact O-CA 3.02Å; R83-H99 VanDerWaalsContact CA-O 3.25Å; R83-H99 WeakPolarHBondContact CA-O 3.46Å; R83-H99 PolarHBondContact O-N 3.48Å; R83-P100 PolarHBondContact NH1-O 3.06Å; R83-P100 VanDerWaalsContact NH1-O 3.08Å; R83-E102 WeakPolarHBondContact CD-OE1 3.45Å; R83-E102 IonicContact CZ-OE1 3.62Å; R83-E102 IonicContact NE-OE1 3.83Å; R83-E102 PolarHBondContact NE-OE1 3Å; R83-E102 VanDerWaalsContact NE-OE1 3.14Å; R83-E102 IonicContact NH1-OE1 3.36Å; R83-E102 IonicContact NH2-OE1 2.91Å; R83-D105 IonicContact CZ-OD1 3.6Å; R83-D105 IonicContact CZ-OD2 2.63Å; R83-D105 IonicContact NH1-OD1 2.69Å; R83-D105 PolarHBondContact NH1-OD1 2.86Å; R83-D105 IonicContact NH1-OD2 4Å; R83-D105 PolarHBondContact NH1-OD2 3.12Å; R83-D105 IonicContact NH2-OD1 3.64Å; R83-D105 PolarHBondContact NH2-OD1 2.91Å; R83-D105 IonicContact NH2-OD2 3.43Å |
| 84 | F | 97.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.8 | -177.5 | -75.5 | -101.3 | 0 | 0 | 0 | 110.4 | M79 P80 L96 K97 I98 Y109 | M79-F84 HydrophobicContact CB-CB 3.92Å; M79-F84 HydrophobicContact CB-CG 4.49Å; M79-F84 HydrophobicContact CG-CB 4.48Å; M79-F84 HydrophobicContact SD-CB 3.92Å; M79-F84 HydrophobicContact SD-CD1 4.18Å; M79-F84 HydrophobicContact SD-CG 4.37Å; P80-F84 HydrophobicContact CB-CD2 4.42Å; P80-F84 HydrophobicContact CG-CD2 4.38Å; P80-F84 PolarHBondContact O-N 3.39Å; F84-L96 HydrophobicContact CD1-CD1 4.38Å; F84-K97 WeakPolarHBondContact CA-O 3.37Å; F84-I98 HydrophobicContact CD1-CD1 4.39Å; F84-I98 HydrophobicContact CD1-CG1 3.86Å; F84-I98 HydrophobicContact CE1-CB 4.36Å; F84-I98 HydrophobicContact CE1-CD1 3.57Å; F84-I98 HydrophobicContact CE1-CG1 3.51Å; F84-I98 HydrophobicContact CE1-CG2 4.09Å; F84-I98 HydrophobicContact CE2-CG2 4.02Å; F84-I98 HydrophobicContact CZ-CD1 4.01Å; F84-I98 HydrophobicContact CZ-CG1 4.07Å; F84-I98 HydrophobicContact CZ-CG2 3.77Å; F84-Y109 AromaticContact CE1-CE1 3.96Å; F84-Y109 HydrophobicContact CE1-CE1 3.96Å |
| 85 | T | 96.7 | Very high | 92.3 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.5 | 172 | -45.7 | 0 | 0 | 0 | 0 | 108.5 | K97 | T85-K97 PolarHBondContact N-O 3.26Å; T85-K97 PolarHBondContact O-N 3.35Å |
| 86 | A | 96.2 | Very high | 92.3 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.5 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | I66 F68 M79 T95 L96 | I66-A86 HydrophobicContact CD1-CB 4.27Å; I66-A86 HydrophobicContact CG2-CB 3.73Å; F68-A86 HydrophobicContact CE2-CB 3.98Å; F68-A86 HydrophobicContact CZ-CB 3.88Å; M79-A86 HydrophobicContact CE-CB 4.38Å; A86-T95 CarbonylContact C-O 3.55Å; A86-T95 WeakPolarHBondContact CA-O 3.34Å; A86-T95 WeakPolarHBondContact CB-O 3.15Å; A86-L96 HydrophobicContact CB-CD1 3.91Å |
| 87 | E | 94.5 | Very high | 92.5 | Very high | 106 Ų | 106 | 52.6 Ų | 52.6 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 156.5 | -178.8 | 58.7 | -177.7 | -171 | 0 | 0 | 110.3 | S94 T95 | E87-S94 CarbonylContact O-C 3.5Å; E87-S94 VanDerWaalsContact O-CA 3.24Å; E87-S94 WeakPolarHBondContact O-CA 3.18Å; E87-S94 PolarHBondContact O-OG 3.21Å; E87-T95 PolarHBondContact N-O 2.71Å; E87-T95 PolarHBondContact O-N 3.04Å |
| 88 | R | 91.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 50 Ų | 50 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | trans | -143.3 | 74.7 | 174 | -172.5 | 167.4 | 178.5 | -152.7 | 1.7 | 110.1 | H48 M49 F68 Y70 Q71 N90 G91 T92 S93 | H48-R88 PolarHBondContact O-NH2 3.49Å; M49-R88 PolarHBondContact O-NH1 3.13Å; F68-R88 HydrophobicContact CB-CB 4.36Å; F68-R88 HydrophobicContact CD1-CB 3.94Å; F68-R88 HydrophobicContact CD2-CB 4.23Å; F68-R88 HydrophobicContact CE1-CB 4.28Å; F68-R88 HydrophobicContact CG-CB 3.93Å; Y70-R88 WeakPolarHBondContact O-CD 3.42Å; Y70-R88 PolarHBondContact O-NH1 3.47Å; Q71-R88 WeakPolarHBondContact CA-O 3.37Å; Q71-R88 WeakPolarHBondContact CB-O 3.25Å; R88-N90 PolarHBondContact O-N 2.88Å; R88-G91 PolarHBondContact NE-O 3.22Å; R88-G91 PolarHBondContact NH2-O 3.49Å; R88-G91 PolarHBondContact O-N 3.3Å; R88-T92 PolarHBondContact NE-O 2.85Å; R88-S93 WeakPolarHBondContact CA-O 3.28Å | ||
| 89 | P | 88.1 | Confident | 93.1 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -59.7 | 135.2 | -179.1 | 25 | -33.9 | 0 | 0 | 0 | 110.9 | G91 T92 S93 | P89-G91 PolarHBondContact O-N 3.21Å; P89-T92 PolarHBondContact O-N 2.93Å; P89-T92 PolarHBondContact O-OG1 3.49Å; P89-S93 WeakPolarHBondContact CD-O 3.41Å |
| 90 | N | 85.3 | Confident | 93.4 | Very high | 137 Ų | 137 | 53.2 Ų | 53.2 | 73% | 0.733 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | 55.8 | 17.9 | 176.4 | -53.2 | -35.7 | 0 | 0 | 0 | 115.1 | R88 T92 | R88-N90 PolarHBondContact O-N 2.88Å; N90-T92 PolarHBondContact O-N 3.39Å |
| 91 | G | 82.1 | Confident | 93.6 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | 68.7 | 15.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R88 P89 | R88-G91 PolarHBondContact NE-O 3.22Å; R88-G91 PolarHBondContact NH2-O 3.49Å; R88-G91 PolarHBondContact O-N 3.3Å; P89-G91 PolarHBondContact O-N 3.21Å |
| 92 | T | 84.6 | Confident | 93.8 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -100.9 | -103.5 | -176.4 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | P44 R88 P89 N90 | P44-T92 WeakPolarHBondContact CD-O 3.4Å; P44-T92 WeakPolarHBondContact CG-O 3.42Å; R88-T92 PolarHBondContact NE-O 2.85Å; P89-T92 PolarHBondContact O-N 2.93Å; P89-T92 PolarHBondContact O-OG1 3.49Å; N90-T92 PolarHBondContact O-N 3.39Å |
| 93 | S | 89.2 | Confident | 93.7 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | trans | -70 | 145.4 | 175.5 | 63.9 | 0 | 0 | 0 | 0 | 111.3 | C42 R88 P89 | C42-S93 CarbonylContact O-C 3.5Å; C42-S93 WeakPolarHBondContact O-CA 3.35Å; C42-S93 WeakPolarHBondContact O-CB 3.18Å; R88-S93 WeakPolarHBondContact CA-O 3.28Å; P89-S93 WeakPolarHBondContact CD-O 3.41Å | ||
| 94 | S | 93.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.3 | 170.7 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | R41 C42 W53 E87 | R41-S94 CarbonylContact C-O 3.56Å; R41-S94 WeakPolarHBondContact CA-O 3.32Å; C42-S94 PolarHBondContact N-O 3.06Å; C42-S94 PolarHBondContact O-N 3.1Å; W53-S94 PolarHBondContact NE1-OG 3.38Å; E87-S94 CarbonylContact O-C 3.5Å; E87-S94 VanDerWaalsContact O-CA 3.24Å; E87-S94 WeakPolarHBondContact O-CA 3.18Å; E87-S94 PolarHBondContact O-OG 3.21Å |
| 95 | T | 95.8 | Very high | 93.5 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 10% | 0.104 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.3 | 177.2 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | I39 L40 R41 A86 E87 | I39-T95 HydrophobicContact CG2-CG2 3.51Å; L40-T95 CarbonylContact O-C 3.54Å; L40-T95 VanDerWaalsContact O-CA 3.31Å; L40-T95 WeakPolarHBondContact O-CA 3.09Å; R41-T95 HydrophobicContact CG-CG2 4.42Å; A86-T95 CarbonylContact C-O 3.55Å; A86-T95 WeakPolarHBondContact CA-O 3.34Å; A86-T95 WeakPolarHBondContact CB-O 3.15Å; E87-T95 PolarHBondContact N-O 2.71Å; E87-T95 PolarHBondContact O-N 3.04Å |
| 96 | L | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.8 | 165.1 | 179.3 | 67.1 | 0 | 0 | 0 | 108.7 | L40 W53 L65 M79 F84 A86 Y109 | L40-L96 HydrophobicContact CB-CB 4.39Å; L40-L96 HydrophobicContact CD1-CD2 4.36Å; L40-L96 PolarHBondContact N-O 3.37Å; L40-L96 PolarHBondContact O-N 3.06Å; W53-L96 HydrophobicContact CB-CD2 4.47Å; W53-L96 HydrophobicContact CD2-CB 3.78Å; W53-L96 HydrophobicContact CD2-CD2 4.03Å; W53-L96 HydrophobicContact CD2-CG 4.45Å; W53-L96 HydrophobicContact CE3-CB 4.02Å; W53-L96 HydrophobicContact CE3-CD2 3.78Å; W53-L96 HydrophobicContact CG-CB 4.33Å; W53-L96 HydrophobicContact CG-CD2 4.35Å; W53-L96 HydrophobicContact CH2-CB 4.12Å; W53-L96 HydrophobicContact CZ2-CB 3.9Å; W53-L96 HydrophobicContact CZ3-CB 4.17Å; W53-L96 HydrophobicContact CZ3-CD2 4.33Å; L65-L96 HydrophobicContact CD1-CD2 3.77Å; M79-L96 HydrophobicContact SD-CD1 4.09Å; F84-L96 HydrophobicContact CD1-CD1 4.38Å; A86-L96 HydrophobicContact CB-CD1 3.91Å; L96-Y109 HydrophobicContact CD2-CD1 3.55Å; L96-Y109 HydrophobicContact CD2-CE1 4.05Å; L96-Y109 HydrophobicContact CD2-CG 4.41Å |
| 97 | K | 97.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 33% | 0.326 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.3 | -180 | 172.6 | 171.9 | 158.9 | 163 | 0 | 110.6 | E37 V38 I39 F84 T85 | E37-K97 HydrophobicContact CG-CD 4.4Å; E37-K97 HydrophobicContact CG-CG 4.27Å; E37-K97 WeakPolarHBondContact OE2-CD 3.38Å; E37-K97 WeakPolarHBondContact OE2-CE 3.41Å; E37-K97 IonicContact OE2-NZ 3.32Å; E37-K97 PolarHBondContact OE2-NZ 2.84Å; V38-K97 CarbonylContact O-C 3.57Å; V38-K97 WeakPolarHBondContact O-CA 3.46Å; I39-K97 HydrophobicContact CG1-CG 4.47Å; F84-K97 WeakPolarHBondContact CA-O 3.37Å; T85-K97 PolarHBondContact N-O 3.26Å; T85-K97 PolarHBondContact O-N 3.35Å |
| 98 | I | 97.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 117.3 | 175.5 | -45.8 | 175.1 | 0 | 0 | 0 | 107.9 | V38 R83 F84 Y109 | V38-I98 HydrophobicContact CB-CB 4.3Å; V38-I98 PolarHBondContact N-O 3.14Å; V38-I98 PolarHBondContact O-N 2.84Å; R83-I98 CarbonylContact O-C 3.59Å; R83-I98 WeakPolarHBondContact O-CA 3.02Å; F84-I98 HydrophobicContact CD1-CD1 4.39Å; F84-I98 HydrophobicContact CD1-CG1 3.86Å; F84-I98 HydrophobicContact CE1-CB 4.36Å; F84-I98 HydrophobicContact CE1-CD1 3.57Å; F84-I98 HydrophobicContact CE1-CG1 3.51Å; F84-I98 HydrophobicContact CE1-CG2 4.09Å; F84-I98 HydrophobicContact CE2-CG2 4.02Å; F84-I98 HydrophobicContact CZ-CD1 4.01Å; F84-I98 HydrophobicContact CZ-CG1 4.07Å; F84-I98 HydrophobicContact CZ-CG2 3.77Å; I98-Y109 HydrophobicContact CD1-CE1 3.92Å; I98-Y109 HydrophobicContact CD1-CE2 4Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.19Å |
| 99 | H | 97.8 | Very high | 93.7 | Very high | 87 Ų | 87 | 53 Ų | 53 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -157.4 | 126.2 | 175.4 | -179.2 | 67.9 | 0 | 0 | 0 | 111.5 | G35 E37 R83 | G35-H99 PolarHBondContact O-CE1 3.44Å; G35-H99 PolarHBondContact O-ND1 2.94Å; E37-H99 HydrophobicContact CB-CB 4.33Å; E37-H99 HydrophobicContact CG-CB 4.26Å; R83-H99 VanDerWaalsContact CA-O 3.25Å; R83-H99 WeakPolarHBondContact CA-O 3.46Å; R83-H99 PolarHBondContact O-N 3.48Å |
| 100 | P | 97.6 | Very high | 94 | Very high | 52 Ų | 52 | 53 Ų | 53 | 34% | 0.338 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -70.9 | 143 | -6.4 | 27.7 | -33.7 | 0 | 0 | 0 | 112 | R83 | R83-P100 PolarHBondContact NH1-O 3.06Å; R83-P100 VanDerWaalsContact NH1-O 3.08Å |
| 101 | A | 97.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | trans | -70.4 | 132.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T32 M34 G35 Q36 V38 | T32-A101 HydrophobicContact CG2-CB 3.94Å; M34-A101 WeakPolarHBondContact CA-O 3.22Å; G35-A101 PolarHBondContact N-O 3.04Å; Q36-A101 WeakPolarHBondContact O-CB 3.36Å; Q36-A101 PolarHBondContact O-N 3.31Å; V38-A101 HydrophobicContact CG2-CB 4.12Å | ||
| 102 | E | 96.8 | Very high | 94.8 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | trans | -118.4 | 157.6 | 176.6 | -64.4 | 179.5 | -146.1 | 0 | 0 | 111.1 | R83 R104 D105 | R83-E102 WeakPolarHBondContact CD-OE1 3.45Å; R83-E102 IonicContact CZ-OE1 3.62Å; R83-E102 IonicContact NE-OE1 3.83Å; R83-E102 PolarHBondContact NE-OE1 3Å; R83-E102 VanDerWaalsContact NE-OE1 3.14Å; R83-E102 IonicContact NH1-OE1 3.36Å; R83-E102 IonicContact NH2-OE1 2.91Å; E102-R104 HydrophobicContact CB-CG 3.92Å; E102-R104 VanDerWaalsContact CD-NH2 3.26Å; E102-R104 PolarHBondContact O-N 3.37Å; E102-R104 VanDerWaalsContact O-N 3.1Å; E102-R104 IonicContact OE1-CZ 3.02Å; E102-R104 IonicContact OE1-NE 2.63Å; E102-R104 IonicContact OE1-NH2 2.92Å; E102-R104 PolarHBondContact OE1-NH2 3.17Å; E102-R104 WeakPolarHBondContact OE2-CD 3.38Å; E102-R104 IonicContact OE2-CZ 3.14Å; E102-R104 IonicContact OE2-NE 2.83Å; E102-R104 PolarHBondContact OE2-NE 2.91Å; E102-R104 IonicContact OE2-NH2 3.71Å; E102-R104 PolarHBondContact OE2-NH2 3.08Å; E102-D105 PolarHBondContact N-OD2 3.45Å; E102-D105 WeakPolarHBondContact O-CB 3.25Å; E102-D105 PolarHBondContact O-N 3.02Å | ||
| 103 | P | 94.5 | Very high | 95 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -53.8 | -36.5 | 178.2 | -28.1 | 36.2 | 0 | 0 | 0 | 113 | M34 D105 S106 | M34-P103 HydrophobicContact CG-CG 4.05Å; M34-P103 HydrophobicContact SD-CG 3.42Å; M34-P103 WeakPolarHBondContact SD-CG 3.49Å; P103-D105 PolarHBondContact O-N 3.43Å; P103-D105 VanDerWaalsContact O-N 3.15Å; P103-S106 WeakPolarHBondContact O-CB 3.4Å; P103-S106 PolarHBondContact O-N 3.45Å; P103-S106 PolarHBondContact O-OG 3.03Å |
| 104 | R | 93.4 | Very high | 94.5 | Very high | 156 Ų | 156 | 47.4 Ų | 47.4 | 59% | 0.589 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -63.4 | -14.5 | 177.1 | 68.3 | 171.8 | 171.8 | -171.4 | -9.5 | 113.9 | R55 E102 S106 | R55-R104 PolarHBondContact NH2-O 3.09Å; E102-R104 HydrophobicContact CB-CG 3.92Å; E102-R104 VanDerWaalsContact CD-NH2 3.26Å; E102-R104 PolarHBondContact O-N 3.37Å; E102-R104 VanDerWaalsContact O-N 3.1Å; E102-R104 IonicContact OE1-CZ 3.02Å; E102-R104 IonicContact OE1-NE 2.63Å; E102-R104 IonicContact OE1-NH2 2.92Å; E102-R104 PolarHBondContact OE1-NH2 3.17Å; E102-R104 WeakPolarHBondContact OE2-CD 3.38Å; E102-R104 IonicContact OE2-CZ 3.14Å; E102-R104 IonicContact OE2-NE 2.83Å; E102-R104 PolarHBondContact OE2-NE 2.91Å; E102-R104 IonicContact OE2-NH2 3.71Å; E102-R104 PolarHBondContact OE2-NH2 3.08Å; R104-S106 VanDerWaalsContact C-N 3.35Å |
| 105 | D | 94.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.053 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -85.6 | -8.8 | 178.9 | -57.6 | -40.8 | 0 | 0 | 0 | 112.7 | R83 E102 P103 A107 Y109 | R83-D105 IonicContact CZ-OD1 3.6Å; R83-D105 IonicContact CZ-OD2 2.63Å; R83-D105 IonicContact NH1-OD1 2.69Å; R83-D105 PolarHBondContact NH1-OD1 2.86Å; R83-D105 IonicContact NH1-OD2 4Å; R83-D105 PolarHBondContact NH1-OD2 3.12Å; R83-D105 IonicContact NH2-OD1 3.64Å; R83-D105 PolarHBondContact NH2-OD1 2.91Å; R83-D105 IonicContact NH2-OD2 3.43Å; E102-D105 PolarHBondContact N-OD2 3.45Å; E102-D105 WeakPolarHBondContact O-CB 3.25Å; E102-D105 PolarHBondContact O-N 3.02Å; P103-D105 PolarHBondContact O-N 3.43Å; P103-D105 VanDerWaalsContact O-N 3.15Å; D105-A107 PolarHBondContact O-N 3.27Å; D105-Y109 WeakPolarHBondContact O-CE2 3.34Å; D105-Y109 PolarHBondContact O-OH 3.44Å; D105-Y109 VanDerWaalsContact O-OH 3.04Å |
| 106 | S | 95.3 | Very high | 94.5 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 56% | 0.559 | 30% | 0.299 | S | S | * | . | trans | -57 | 110.6 | 175.4 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | P103 R104 | P103-S106 WeakPolarHBondContact O-CB 3.4Å; P103-S106 PolarHBondContact O-N 3.45Å; P103-S106 PolarHBondContact O-OG 3.03Å; R104-S106 VanDerWaalsContact C-N 3.35Å | ||
| 107 | A | 96 | Very high | 94.3 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -165.6 | 166 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110 | R55 Q56 D105 Y109 | R55-A107 HydrophobicContact CG-CB 3.72Å; Q56-A107 WeakPolarHBondContact O-CA 3.44Å; Q56-A107 VanDerWaalsContact O-CB 3.23Å; Q56-A107 WeakPolarHBondContact O-CB 3.39Å; D105-A107 PolarHBondContact O-N 3.27Å; A107-Y109 HydrophobicContact CB-CD2 4.34Å; A107-Y109 HydrophobicContact CB-CE2 3.84Å |
| 108 | V | 96 | Very high | 94.1 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 47% | 0.473 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 132.3 | 163 | 178.9 | 0 | 0 | 0 | 0 | 107.8 | Q56 L110 | Q56-V108 HydrophobicContact CB-CB 4.24Å; Q56-V108 PolarHBondContact N-O 3.2Å; Q56-V108 PolarHBondContact O-N 3.08Å; V108-L110 HydrophobicContact CG1-CD2 3.67Å; V108-L110 HydrophobicContact CG1-CG 3.98Å |
| 109 | Y | 96.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 11% | 0.114 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.7 | 177.2 | -72.4 | -93.3 | 0 | 0 | 0 | 108.7 | Q25 L40 Y54 R55 L65 F84 L96 I98 D105 A107 | Q25-Y109 PolarHBondContact NE2-O 2.83Å; L40-Y109 HydrophobicContact CD1-CD1 4.23Å; L40-Y109 HydrophobicContact CD1-CD2 3.99Å; L40-Y109 HydrophobicContact CD1-CG 3.58Å; Y54-Y109 WeakPolarHBondContact O-CA 3.41Å; R55-Y109 HydrophobicContact CB-CD1 4.28Å; R55-Y109 HydrophobicContact CB-CE1 4.14Å; R55-Y109 HydrophobicContact CG-CD1 4.31Å; R55-Y109 HydrophobicContact CG-CE1 3.88Å; R55-Y109 PolarHBondContact NE-OH 3.49Å; L65-Y109 HydrophobicContact CD1-CD1 4Å; L65-Y109 HydrophobicContact CD1-CE1 4.01Å; F84-Y109 AromaticContact CE1-CE1 3.96Å; F84-Y109 HydrophobicContact CE1-CE1 3.96Å; L96-Y109 HydrophobicContact CD2-CD1 3.55Å; L96-Y109 HydrophobicContact CD2-CE1 4.05Å; L96-Y109 HydrophobicContact CD2-CG 4.41Å; I98-Y109 HydrophobicContact CD1-CE1 3.92Å; I98-Y109 HydrophobicContact CD1-CE2 4Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.19Å; D105-Y109 WeakPolarHBondContact O-CE2 3.34Å; D105-Y109 PolarHBondContact O-OH 3.44Å; D105-Y109 VanDerWaalsContact O-OH 3.04Å; A107-Y109 HydrophobicContact CB-CD2 4.34Å; A107-Y109 HydrophobicContact CB-CE2 3.84Å |
| 110 | L | 94.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 139.6 | -174.1 | -60.3 | 171.6 | 0 | 0 | 0 | 109.8 | Y54 M62 V108 | Y54-L110 PolarHBondContact N-O 3.42Å; Y54-L110 PolarHBondContact O-N 3.33Å; M62-L110 HydrophobicContact CE-CD1 3.37Å; M62-L110 HydrophobicContact SD-CD1 3.94Å; V108-L110 HydrophobicContact CG1-CD2 3.67Å; V108-L110 HydrophobicContact CG1-CG 3.98Å |
| 111 | Y | 93.8 | Very high | 93.4 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136 | 168.1 | -179.2 | -85.3 | 0 | 0 | 0 | 108.9 | V23 Q25 C42 P44 V51 H52 W53 | V23-Y111 HydrophobicContact CG1-CD1 3.37Å; V23-Y111 HydrophobicContact CG1-CE1 3.93Å; V23-Y111 HydrophobicContact CG1-CG 4.32Å; V23-Y111 HydrophobicContact CG2-CD1 4.48Å; Q25-Y111 VanDerWaalsContact CD-N 3.31Å; Q25-Y111 VanDerWaalsContact NE2-CB 3.35Å; Q25-Y111 VanDerWaalsContact NE2-N 3.15Å; Q25-Y111 VanDerWaalsContact OE1-N 3.09Å; C42-Y111 HydrophobicContact CB-CD1 3.8Å; C42-Y111 HydrophobicContact CB-CD2 3.56Å; C42-Y111 HydrophobicContact CB-CE1 3.94Å; C42-Y111 HydrophobicContact CB-CE2 3.77Å; C42-Y111 HydrophobicContact CB-CG 3.51Å; C42-Y111 WeakPolarHBondContact SG-CD1 3.3Å; C42-Y111 WeakPolarHBondContact SG-CE1 3.29Å; P44-Y111 HydrophobicContact CB-CE1 4.29Å; P44-Y111 WeakPolarHBondContact CG-OH 3.31Å; V51-Y111 HydrophobicContact CB-CE1 4.29Å; V51-Y111 HydrophobicContact CB-CE2 3.69Å; V51-Y111 WeakPolarHBondContact CB-OH 3.39Å; V51-Y111 HydrophobicContact CG1-CE1 4.19Å; V51-Y111 HydrophobicContact CG1-CE2 4.22Å; V51-Y111 WeakPolarHBondContact CG1-OH 3.46Å; V51-Y111 HydrophobicContact CG2-CE2 3.87Å; H52-Y111 WeakPolarHBondContact O-CA 3.46Å; W53-Y111 HydrophobicContact CD2-CD2 4.02Å; W53-Y111 AromaticContact CE2-CD2 3.59Å; W53-Y111 HydrophobicContact CH2-CD2 4.26Å; W53-Y111 AromaticContact CZ2-CD2 3.72Å; W53-Y111 HydrophobicContact CZ2-CD2 3.72Å; W53-Y111 HydrophobicContact CZ2-CE2 4.43Å; W53-Y111 AromaticContact NE1-CD2 3.83Å |
| 112 | S | 91.6 | Very high | 93 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 30% | 0.301 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.4 | 167.8 | 77.4 | 0 | 0 | 0 | 0 | 110.7 | V51 H52 | V51-S112 CarbonylContact C-O 3.56Å; V51-S112 VanDerWaalsContact CA-O 3.25Å; V51-S112 WeakPolarHBondContact CA-O 3.48Å; H52-S112 PolarHBondContact N-O 2.98Å; H52-S112 PolarHBondContact ND1-OG 3.05Å; H52-S112 PolarHBondContact O-N 3.4Å |
| 113 | S | 87.5 | Confident | 92.7 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 144.6 | 174.6 | 60 | 0 | 0 | 0 | 0 | 110.6 | V23 H48 F50 | V23-S113 VanDerWaalsContact CG2-OG 3.28Å; V23-S113 WeakPolarHBondContact CG2-OG 3.35Å; H48-S113 PolarHBondContact CD2-OG 3.11Å; F50-S113 CarbonylContact O-C 3.53Å; F50-S113 WeakPolarHBondContact O-CA 3.24Å |
| 114 | G | 79.1 | Confident | 92.6 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 76% | 0.763 | 33% | 0.334 | S | S | * | . | trans | -132.3 | 0 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | H48 M49 F50 | H48-G114 PolarHBondContact ND1-OXT 3.44Å; M49-G114 PolarHBondContact N-O 3.11Å; F50-G114 PolarHBondContact N-O 3.4Å; F50-G114 VanDerWaalsContact N-O 3.13Å; F50-G114 PolarHBondContact O-N 3.23Å |
Retrieved 114 of 114 residues in 283.3 ms
(Link to these results)