| 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 | 63.7 | Low | 84.1 | Confident | 247 Ų | 247 | 113 Ų | 113 | 100% | 1.217 | 64% | 0.64 | S | S | * | * | 0 | 104.5 | 0 | -63.6 | 164.2 | 89.5 | 0 | 0 | 106.7 | G3 | M1-G3 PolarHBondContact O-N 3.04Š| |||
| 2 | A | 68.1 | Low | 84.7 | Confident | 86 Ų | 86 | 113.4 Ų | 113.4 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | trans | -69.8 | 117.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | W6 | A2-W6 HydrophobicContact CB-CB 4.48Š| ||
| 3 | G | 83.3 | Confident | 85.2 | Confident | 32 Ų | 32 | 112.2 Ų | 112.2 | 33% | 0.33 | 63% | 0.629 | S | S | . | * | trans | -66.3 | 164.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 G5 W6 | M1-G3 PolarHBondContact O-N 3.04Å; G3-G5 PolarHBondContact O-N 3.45Å; G3-W6 PolarHBondContact O-N 3.29Å | ||
| 4 | P | 83.4 | Confident | 85.6 | Confident | 103 Ų | 103 | 111.4 Ų | 111.4 | 67% | 0.669 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.4 | -14.8 | -178.4 | 25.3 | -34.6 | 0 | 0 | 0 | 114.1 | W6 T7 L8 | P4-W6 VanDerWaalsContact C-N 3.34Å; P4-T7 PolarHBondContact O-OG1 2.87Å; P4-L8 PolarHBondContact O-N 3.01Å |
| 5 | G | 88.9 | Confident | 85.8 | Confident | 48 Ų | 48 | 111.3 Ų | 111.3 | 50% | 0.495 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.9 | -33.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G3 L9 | G3-G5 PolarHBondContact O-N 3.45Å; G5-L9 WeakPolarHBondContact O-CB 3.41Å; G5-L9 PolarHBondContact O-N 3Å |
| 6 | W | 86.3 | Confident | 85.8 | Confident | 184 Ų | 184 | 112.1 Ų | 112.1 | 70% | 0.697 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74 | -35.5 | 179.9 | -75.6 | 82.9 | 0 | 0 | 0 | 112.1 | A2 G3 P4 L9 L10 | A2-W6 HydrophobicContact CB-CB 4.48Å; G3-W6 PolarHBondContact O-N 3.29Å; P4-W6 VanDerWaalsContact C-N 3.34Å; W6-L9 PolarHBondContact O-N 3.29Å; W6-L10 WeakPolarHBondContact O-CB 3.41Å; W6-L10 PolarHBondContact O-N 3.42Å |
| 7 | T | 88.4 | Confident | 85.7 | Confident | 90 Ų | 90 | 111.7 Ų | 111.7 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.3 | -39.9 | 176.1 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | P4 L11 | P4-T7 PolarHBondContact O-OG1 2.87Å; T7-L11 WeakPolarHBondContact O-CB 3.42Å; T7-L11 PolarHBondContact O-N 2.99Å |
| 8 | L | 89.6 | Confident | 85.4 | Confident | 121 Ų | 121 | 111.9 Ų | 111.9 | 63% | 0.634 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.9 | -42.7 | 173.3 | -78.7 | 165.7 | 0 | 0 | 0 | 112.4 | P4 L11 L12 | P4-L8 PolarHBondContact O-N 3.01Å; L8-L11 PolarHBondContact O-N 3.27Å; L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.41Å |
| 9 | L | 91.3 | Very high | 85 | Confident | 107 Ų | 107 | 108.3 Ų | 108.3 | 56% | 0.56 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.5 | -43.6 | 177.4 | -173.8 | 68.2 | 0 | 0 | 0 | 111.9 | G5 W6 L11 L12 L13 | G5-L9 WeakPolarHBondContact O-CB 3.41Å; G5-L9 PolarHBondContact O-N 3Å; W6-L9 PolarHBondContact O-N 3.29Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L12 PolarHBondContact O-N 2.98Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 2.99Å |
| 10 | L | 91.4 | Very high | 84.2 | Confident | 127 Ų | 127 | 105.7 Ų | 105.7 | 67% | 0.665 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.4 | -41.6 | 177.2 | -164.7 | 84.1 | 0 | 0 | 0 | 111.4 | W6 L13 L14 | W6-L10 WeakPolarHBondContact O-CB 3.41Å; W6-L10 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 2.94Å; L10-L14 WeakPolarHBondContact O-CB 3.32Å; L10-L14 PolarHBondContact O-N 3.11Å |
| 11 | L | 90.8 | Very high | 83.1 | Confident | 98 Ų | 98 | 108.4 Ų | 108.4 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.1 | -44 | 177.8 | -172.5 | 66.4 | 0 | 0 | 0 | 111.5 | T7 L8 L9 L13 L14 L15 | T7-L11 WeakPolarHBondContact O-CB 3.42Å; T7-L11 PolarHBondContact O-N 2.99Å; L8-L11 PolarHBondContact O-N 3.27Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 2.96Å; L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 3.42Å |
| 12 | L | 91.3 | Very high | 82.9 | Confident | 118 Ų | 118 | 100.8 Ų | 100.8 | 62% | 0.618 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.2 | -41.8 | 176.8 | -175.3 | 66.4 | 0 | 0 | 0 | 111.8 | L8 L9 L15 L16 | L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.41Å; L9-L12 PolarHBondContact O-N 2.98Å; L12-L15 PolarHBondContact O-N 3.43Å; L12-L16 PolarHBondContact O-N 2.99Å; L12-L16 VanDerWaalsContact O-N 3.11Å |
| 13 | L | 91.4 | Very high | 82.4 | Confident | 98 Ų | 98 | 99.6 Ų | 99.6 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.7 | -45.9 | 175.3 | -174.6 | 62.9 | 0 | 0 | 0 | 110.8 | L9 L10 L11 L15 L16 L17 | L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.49Å; L13-L15 PolarHBondContact O-N 3.18Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-L16 VanDerWaalsContact O-N 3.14Å; L13-L17 HydrophobicContact CD1-CD1 3.92Å; L13-L17 HydrophobicContact CG-CD1 3.71Å; L13-L17 WeakPolarHBondContact O-CD1 3.11Å; L13-L17 PolarHBondContact O-N 3.05Å |
| 14 | L | 90.7 | Very high | 81.4 | Confident | 100 Ų | 100 | 107.3 Ų | 107.3 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.4 | -44.6 | 177.8 | -173.6 | 63.5 | 0 | 0 | 0 | 112.2 | L10 L11 L16 L17 L18 | L10-L14 WeakPolarHBondContact O-CB 3.32Å; L10-L14 PolarHBondContact O-N 3.11Å; L11-L14 PolarHBondContact O-N 2.96Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 3.16Å; L14-L18 HydrophobicContact CD1-CD1 3.7Å; L14-L18 HydrophobicContact CG-CD1 3.94Å; L14-L18 WeakPolarHBondContact O-CD1 3.15Å; L14-L18 PolarHBondContact O-N 2.87Å |
| 15 | L | 88.7 | Confident | 80.1 | Confident | 111 Ų | 111 | 105 Ų | 105 | 58% | 0.581 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.1 | -40.1 | 174.7 | -84.9 | 146.2 | 0 | 0 | 0 | 112.5 | L11 L12 L13 L18 G19 | L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.43Å; L13-L15 PolarHBondContact O-N 3.18Å; L15-L18 PolarHBondContact O-N 3.44Å; L15-G19 PolarHBondContact O-N 3.14Å |
| 16 | L | 85.9 | Confident | 78.7 | Confident | 124 Ų | 124 | 107.8 Ų | 107.8 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70 | -38 | 179.3 | -157.9 | 72.8 | 0 | 0 | 0 | 112.2 | L12 L13 L14 S20 | L12-L16 PolarHBondContact O-N 2.99Å; L12-L16 VanDerWaalsContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-L16 VanDerWaalsContact O-N 3.14Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.47Å; L16-S20 PolarHBondContact O-N 2.84Å; L16-S20 PolarHBondContact O-OG 3.03Å |
| 17 | L | 83.7 | Confident | 77.3 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 55% | 0.55 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.7 | -42.9 | 172.7 | -86.2 | 109.8 | 0 | 0 | 0 | 111.8 | L13 L14 | L13-L17 HydrophobicContact CD1-CD1 3.92Å; L13-L17 HydrophobicContact CG-CD1 3.71Å; L13-L17 WeakPolarHBondContact O-CD1 3.11Å; L13-L17 PolarHBondContact O-N 3.05Å; L14-L17 PolarHBondContact O-N 3.16Å |
| 18 | L | 80.5 | Confident | 75.4 | Confident | 115 Ų | 115 | 112 Ų | 112 | 60% | 0.602 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.8 | -40.2 | 176.6 | -90.5 | 74.2 | 0 | 0 | 0 | 112.1 | L14 L15 S20 M21 | L14-L18 HydrophobicContact CD1-CD1 3.7Å; L14-L18 HydrophobicContact CG-CD1 3.94Å; L14-L18 WeakPolarHBondContact O-CD1 3.15Å; L14-L18 PolarHBondContact O-N 2.87Å; L15-L18 PolarHBondContact O-N 3.44Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.02Å; L18-M21 PolarHBondContact O-N 2.95Å |
| 19 | G | 77.3 | Confident | 73.7 | Confident | 44 Ų | 44 | 113.5 Ų | 113.5 | 45% | 0.454 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.9 | -32 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L15 M21 A22 G23 | L15-G19 PolarHBondContact O-N 3.14Å; G19-M21 VanDerWaalsContact C-N 3.28Å; G19-M21 PolarHBondContact O-N 3.39Å; G19-A22 PolarHBondContact O-N 3.43Å; G19-G23 PolarHBondContact O-N 3.28Å; G19-G23 VanDerWaalsContact O-N 3.16Å |
| 20 | S | 69.3 | Low | 72 | Confident | 55 Ų | 55 | 116 Ų | 116 | 39% | 0.385 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.7 | -37.5 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | L16 L18 A22 G23 Y24 | L16-S20 PolarHBondContact O-N 2.84Å; L16-S20 PolarHBondContact O-OG 3.03Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.02Å; S20-A22 VanDerWaalsContact C-N 3.3Å; S20-A22 PolarHBondContact O-N 3.49Å; S20-G23 PolarHBondContact O-N 2.84Å; S20-Y24 WeakPolarHBondContact O-CD2 3.47Å; S20-Y24 WeakPolarHBondContact O-CE2 3.49Å |
| 21 | M | 60.7 | Low | 70.2 | Confident | 163 Ų | 163 | 114.9 Ų | 114.9 | 80% | 0.803 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.6 | -18.8 | 179 | -59.7 | -60.2 | -76.7 | 0 | 0 | 113.5 | L18 G19 | L18-M21 PolarHBondContact O-N 2.95Å; G19-M21 VanDerWaalsContact C-N 3.28Å; G19-M21 PolarHBondContact O-N 3.39Å |
| 22 | A | 60.2 | Low | 68.6 | Low | 88 Ų | 88 | 115.6 Ų | 115.6 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -91.8 | -17.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | G19 S20 | G19-A22 PolarHBondContact O-N 3.43Å; S20-A22 VanDerWaalsContact C-N 3.3Å; S20-A22 PolarHBondContact O-N 3.49Å |
| 23 | G | 58.1 | Low | 67.1 | Low | 61 Ų | 61 | 110.9 Ų | 110.9 | 63% | 0.629 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -92.1 | -19.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G19 S20 G25 | G19-G23 PolarHBondContact O-N 3.28Å; G19-G23 VanDerWaalsContact O-N 3.16Å; S20-G23 PolarHBondContact O-N 2.84Å; G23-G25 VanDerWaalsContact C-N 3.26Å; G23-G25 PolarHBondContact O-N 3.03Å; G23-G25 VanDerWaalsContact O-N 3.14Å |
| 24 | Y | 62.4 | Low | 66 | Low | 194 Ų | 194 | 113.2 Ų | 113.2 | 76% | 0.761 | 62% | 0.619 | S | S | * | * | trans | -89.2 | 62.7 | 174.4 | -63.1 | -71.6 | 0 | 0 | 0 | 110.9 | S20 | S20-Y24 WeakPolarHBondContact O-CD2 3.47Å; S20-Y24 WeakPolarHBondContact O-CE2 3.49Å | ||
| 25 | G | 54.9 | Low | 65.3 | Low | 54 Ų | 54 | 111.6 Ų | 111.6 | 56% | 0.557 | 61% | 0.608 | S | S | * | * | trans | -60.2 | 133.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109 | G23 Q27 | G23-G25 VanDerWaalsContact C-N 3.26Å; G23-G25 PolarHBondContact O-N 3.03Å; G23-G25 VanDerWaalsContact O-N 3.14Å; G25-Q27 PolarHBondContact O-N 3.43Å; G25-Q27 VanDerWaalsContact O-N 3.09Å | ||
| 26 | P | 59.1 | Low | 64.6 | Low | 106 Ų | 106 | 108 Ų | 108 | 69% | 0.688 | 60% | 0.598 | S | S | * | * | trans | -61.1 | 120.6 | 172.9 | 24.7 | -30.8 | 0 | 0 | 0 | 107.5 | K28 | P26-K28 PolarHBondContact O-N 3.17Š| ||
| 27 | Q | 56.8 | Low | 64.2 | Low | 185 Ų | 185 | 107.1 Ų | 107.1 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | trans | -57 | 91.3 | 164.1 | -76.7 | -79 | -0.3 | 0 | 0 | 106.9 | G25 K29 | G25-Q27 PolarHBondContact O-N 3.43Å; G25-Q27 VanDerWaalsContact O-N 3.09Å; Q27-K29 PolarHBondContact O-N 3.45Å | ||
| 28 | K | 48.8 | Very low | 63.8 | Low | 177 Ų | 177 | 104.4 Ų | 104.4 | 77% | 0.77 | 59% | 0.59 | S | S | * | * | trans | -71.5 | 69.7 | 169 | -71 | -179.8 | -178 | 170.4 | 0 | 107.3 | P26 L30 | P26-K28 PolarHBondContact O-N 3.17Å; K28-L30 PolarHBondContact O-N 3.14Å | ||
| 29 | K | 53.9 | Low | 63.7 | Low | 153 Ų | 153 | 103.2 Ų | 103.2 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | trans | -68.7 | 84.2 | 153.7 | -149.1 | -168.6 | -171.5 | -163.1 | 0 | 104.4 | Q27 N31 | Q27-K29 PolarHBondContact O-N 3.45Å; K29-N31 WeakPolarHBondContact O-CA 3Å; K29-N31 PolarHBondContact O-N 3.3Å | ||
| 30 | L | 55.8 | Low | 63.9 | Low | 159 Ų | 159 | 104.2 Ų | 104.2 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | trans | -49.1 | 110.3 | 174.9 | -82.1 | 159 | 0 | 0 | 0 | 106.8 | K28 L32 | K28-L30 PolarHBondContact O-N 3.14Å; L30-L32 VanDerWaalsContact C-N 3.26Å; L30-L32 PolarHBondContact O-N 3.41Å | ||
| 31 | N | 54.5 | Low | 64.4 | Low | 104 Ų | 104 | 101.7 Ų | 101.7 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | trans | -82.7 | 73.7 | -155.5 | -149.4 | -55 | 0 | 0 | 0 | 108.1 | K29 S33 | K29-N31 WeakPolarHBondContact O-CA 3Å; K29-N31 PolarHBondContact O-N 3.3Å; N31-S33 PolarHBondContact O-N 3.32Å; N31-S33 PolarHBondContact OD1-O 2.04Å | ||
| 32 | L | 56.8 | Low | 65.4 | Low | 114 Ų | 114 | 104.7 Ų | 104.7 | 60% | 0.597 | 57% | 0.565 | S | S | * | * | trans | -66.9 | -10.3 | 166.1 | -144.5 | 75.3 | 0 | 0 | 0 | 111.2 | L30 H34 E45 E46 | L30-L32 VanDerWaalsContact C-N 3.26Å; L30-L32 PolarHBondContact O-N 3.41Å; L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 2.64Å; L32-E45 CarbonylContact C-O 3.47Å; L32-E45 HydrophobicContact CD2-CG 4.33Å; L32-E46 HydrophobicContact CD2-CG 4.44Å; L32-E46 CarbonylContact O-C 3.52Å; L32-E46 VanDerWaalsContact O-CA 3.27Å; L32-E46 WeakPolarHBondContact O-CA 3.42Å; L32-E46 VanDerWaalsContact O-O 3.13Å | ||
| 33 | S | 60 | Low | 65.9 | Low | 18 Ų | 18 | 107.6 Ų | 107.6 | 13% | 0.126 | 56% | 0.557 | C | S | . | * | trans | -89 | 47.3 | -174.7 | -151.7 | 0 | 0 | 0 | 0 | 111.3 | N31 E45 E46 C47 Q48 | N31-S33 PolarHBondContact O-N 3.32Å; N31-S33 PolarHBondContact OD1-O 2.04Å; S33-E45 WeakPolarHBondContact CA-O 3.14Å; S33-E45 PolarHBondContact N-O 3.5Å; S33-E46 WeakPolarHBondContact CA-O 3.21Å; S33-C47 VanDerWaalsContact OG-C 3.26Å; S33-C47 PolarHBondContact OG-O 3.29Å; S33-Q48 WeakPolarHBondContact O-CG 3.03Å; S33-Q48 WeakPolarHBondContact OG-CA 3.1Å; S33-Q48 PolarHBondContact OG-N 3.21Å | ||
| 34 | H | 67.8 | Low | 67 | Low | 148 Ų | 148 | 109.4 Ų | 109.4 | 69% | 0.685 | 55% | 0.549 | S | S | * | . | trans | -104.4 | 0.4 | -178.1 | -134.7 | -91.7 | 0 | 0 | 0 | 113.6 | L32 | L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 2.64Å | ||
| 35 | K | 75.4 | Confident | 67.8 | Low | 66 Ų | 66 | 104.5 Ų | 104.5 | 29% | 0.287 | 53% | 0.533 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 126.9 | 175.2 | -105.5 | -178.5 | 167.8 | 170.8 | 0 | 112 | E39 P40 E46 Q48 | K35-E39 HydrophobicContact CB-CB 3.91Å; K35-E39 HydrophobicContact CB-CG 4.42Å; K35-E39 HydrophobicContact CD-CB 3.54Å; K35-E39 HydrophobicContact CD-CG 4.38Å; K35-E39 VanDerWaalsContact CE-OE2 3.25Å; K35-E39 WeakPolarHBondContact CE-OE2 3.49Å; K35-E39 HydrophobicContact CG-CB 3.48Å; K35-E39 VanDerWaalsContact CG-CB 3.48Å; K35-E39 HydrophobicContact CG-CG 3.9Å; K35-E39 IonicContact NZ-OE2 3.97Å; K35-P40 WeakPolarHBondContact CD-O 3.2Å; K35-P40 WeakPolarHBondContact CE-O 3.49Å; K35-P40 PolarHBondContact NZ-O 3.1Å; K35-E46 WeakPolarHBondContact CB-O 3.48Å; K35-E46 PolarHBondContact N-O 3.4Å; K35-Q48 PolarHBondContact O-N 3.21Å |
| 36 | G | 73.9 | Confident | 69 | Low | 35 Ų | 35 | 103.8 Ų | 103.8 | 36% | 0.361 | 52% | 0.515 | S | S | . | . | trans | -73.7 | 174.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | E39 C63 | G36-E39 VanDerWaalsContact O-CB 3.29Å; G36-E39 WeakPolarHBondContact O-CB 3.05Å; G36-E39 PolarHBondContact O-N 3.07Å; G36-C63 WeakPolarHBondContact O-CB 3.39Å | ||
| 37 | I | 77.7 | Confident | 70 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 54% | 0.538 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 137.5 | 177 | -60.2 | 162.6 | 0 | 0 | 0 | 109.3 | E39 C63 P65 W75 | I37-E39 VanDerWaalsContact C-N 3.3Å; I37-C63 WeakPolarHBondContact CA-O 3.46Å; I37-P65 HydrophobicContact CD1-CB 3.95Å; I37-P65 HydrophobicContact CD1-CG 4.47Å; I37-P65 HydrophobicContact CG1-CB 4.44Å; I37-W75 HydrophobicContact CG2-CE3 4.24Å; I37-W75 HydrophobicContact CG2-CZ3 4.01Å |
| 38 | G | 75.8 | Confident | 71.1 | Confident | 49 Ų | 49 | 96 Ų | 96 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 3.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L62 C63 | G38-L62 WeakPolarHBondContact O-CD2 3.02Å; G38-C63 PolarHBondContact N-O 2.02Å |
| 39 | E | 78.8 | Confident | 72.3 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | trans | -88.5 | 143.8 | 174.6 | -74.6 | -68.7 | 155.7 | 0 | 0 | 112 | K35 G36 I37 C41 L62 C63 | K35-E39 HydrophobicContact CB-CB 3.91Å; K35-E39 HydrophobicContact CB-CG 4.42Å; K35-E39 HydrophobicContact CD-CB 3.54Å; K35-E39 HydrophobicContact CD-CG 4.38Å; K35-E39 VanDerWaalsContact CE-OE2 3.25Å; K35-E39 WeakPolarHBondContact CE-OE2 3.49Å; K35-E39 HydrophobicContact CG-CB 3.48Å; K35-E39 VanDerWaalsContact CG-CB 3.48Å; K35-E39 HydrophobicContact CG-CG 3.9Å; K35-E39 IonicContact NZ-OE2 3.97Å; G36-E39 VanDerWaalsContact O-CB 3.29Å; G36-E39 WeakPolarHBondContact O-CB 3.05Å; G36-E39 PolarHBondContact O-N 3.07Å; I37-E39 VanDerWaalsContact C-N 3.3Å; E39-C41 PolarHBondContact O-N 3.39Å; E39-L62 CarbonylContact O-C 3.46Å; E39-L62 VanDerWaalsContact O-CA 3.28Å; E39-L62 WeakPolarHBondContact O-CA 3.03Å; E39-C63 PolarHBondContact O-N 3.34Å | ||
| 40 | P | 81.7 | Confident | 73.3 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 42% | 0.422 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 129.6 | -176.7 | 24.2 | -29.2 | 0 | 0 | 0 | 110.8 | K35 T61 L62 | K35-P40 WeakPolarHBondContact CD-O 3.2Å; K35-P40 WeakPolarHBondContact CE-O 3.49Å; K35-P40 PolarHBondContact NZ-O 3.1Å; P40-T61 CarbonylContact C-O 3.52Å; P40-T61 VanDerWaalsContact CA-O 3.25Å; P40-T61 WeakPolarHBondContact CA-O 3.28Å; P40-L62 HydrophobicContact CB-CD2 4.42Å |
| 41 | C | 79.6 | Confident | 74.5 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.02 | 38% | 0.383 | C | S | . | . | trans | -125.4 | 153.9 | -177.2 | 55 | 0 | 0 | 0 | 0 | 110.2 | E39 E46 C47 C52 T61 | E39-C41 PolarHBondContact O-N 3.39Å; C41-E46 WeakPolarHBondContact CA-OE2 3.13Å; C41-E46 HydrophobicContact CB-CB 4.4Å; C41-C47 VanDerWaalsContact CB-SG 3.57Å; C41-C52 HydrophobicContact CB-CB 3.88Å; C41-C52 WeakPolarHBondContact CB-SG 3.27Å; C41-C52 PolarHBondContact O-SG 2.81Å; C41-C52 VanDerWaalsContact O-SG 3.34Å; C41-C52 WeakPolarHBondContact SG-CA 3.39Å; C41-C52 WeakPolarHBondContact SG-CB 3.44Å; C41-C52 CovalentContact SG-SG 2.02Å; C41-C52 PolarHBondContact SG-SG 3.47Å; C41-T61 PolarHBondContact N-O 2.95Å; C41-T61 WeakPolarHBondContact O-CB 3.39Å; C41-T61 PolarHBondContact O-OG1 2.8Å | ||
| 42 | R | 80.6 | Confident | 75.9 | Confident | 225 Ų | 225 | 72.2 Ų | 72.2 | 85% | 0.849 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -106 | -31.5 | 167.4 | -66.2 | -172.4 | 178.1 | -173.4 | 1 | 112 | E46 | R42-E46 WeakPolarHBondContact CB-OE1 3.43Å; R42-E46 PolarHBondContact N-OE1 3.37Å; R42-E46 PolarHBondContact N-OE2 3.14Å |
| 43 | R | 72.4 | Confident | 77 | Confident | 150 Ų | 150 | 67.9 Ų | 67.9 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -126.8 | 154.5 | -178.9 | -51.3 | -177.3 | -154.5 | -175.1 | 6.8 | 111 | E45 E46 | R43-E45 VanDerWaalsContact C-N 3.29Å; R43-E45 HydrophobicContact CB-CG 3.81Å; R43-E45 WeakPolarHBondContact CD-OE1 3.14Å; R43-E45 IonicContact CZ-OE1 3.88Å; R43-E45 IonicContact NE-OE1 3.9Å; R43-E45 IonicContact NH1-OE1 3.1Å; R43-E45 PolarHBondContact NH1-OE1 2.77Å; R43-E45 VanDerWaalsContact NH1-OE1 3.1Å; R43-E45 PolarHBondContact O-N 3.09Å; R43-E46 HydrophobicContact CB-CG 4.35Å; R43-E46 WeakPolarHBondContact CB-OE1 3.44Å; R43-E46 WeakPolarHBondContact CG-OE1 3.05Å; R43-E46 PolarHBondContact N-OE1 3.17Å; R43-E46 WeakPolarHBondContact O-CB 3.21Å; R43-E46 PolarHBondContact O-N 3.31Å |
| 44 | H | 79.6 | Confident | 77.6 | Confident | 98 Ų | 98 | 72.4 Ų | 72.4 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -59.6 | -40.8 | 179.9 | -70.6 | 76.4 | 0 | 0 | 0 | 111.9 | E46 C47 N50 C52 | H44-E46 PolarHBondContact O-N 2.89Å; H44-E46 VanDerWaalsContact O-N 3.14Å; H44-C47 PolarHBondContact O-N 2.73Å; H44-C47 VanDerWaalsContact O-N 3.17Å; H44-N50 WeakPolarHBondContact CB-O 3.33Å; H44-N50 PolarHBondContact CD2-O 3.04Å; H44-N50 CarbonylContact O-C 3.47Å; H44-N50 WeakPolarHBondContact O-CA 3.38Å; H44-C52 PolarHBondContact CD2-N 3.27Å |
| 45 | E | 79.6 | Confident | 77.9 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 43% | 0.425 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -62.6 | -15.3 | 179.9 | 56.5 | -161.3 | -173.3 | 0 | 0 | 115.4 | L32 S33 R43 C47 | L32-E45 CarbonylContact C-O 3.47Å; L32-E45 HydrophobicContact CD2-CG 4.33Å; S33-E45 WeakPolarHBondContact CA-O 3.14Å; S33-E45 PolarHBondContact N-O 3.5Å; R43-E45 VanDerWaalsContact C-N 3.29Å; R43-E45 HydrophobicContact CB-CG 3.81Å; R43-E45 WeakPolarHBondContact CD-OE1 3.14Å; R43-E45 IonicContact CZ-OE1 3.88Å; R43-E45 IonicContact NE-OE1 3.9Å; R43-E45 IonicContact NH1-OE1 3.1Å; R43-E45 PolarHBondContact NH1-OE1 2.77Å; R43-E45 VanDerWaalsContact NH1-OE1 3.1Å; R43-E45 PolarHBondContact O-N 3.09Å; E45-C47 VanDerWaalsContact C-N 3.35Å |
| 46 | E | 79.9 | Confident | 77.1 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -74.7 | -27.7 | 176.4 | -66.1 | 168.9 | -135.6 | 0 | 0 | 112.3 | L32 S33 K35 C41 R42 R43 H44 | L32-E46 HydrophobicContact CD2-CG 4.44Å; L32-E46 CarbonylContact O-C 3.52Å; L32-E46 VanDerWaalsContact O-CA 3.27Å; L32-E46 WeakPolarHBondContact O-CA 3.42Å; L32-E46 VanDerWaalsContact O-O 3.13Å; S33-E46 WeakPolarHBondContact CA-O 3.21Å; K35-E46 WeakPolarHBondContact CB-O 3.48Å; K35-E46 PolarHBondContact N-O 3.4Å; C41-E46 WeakPolarHBondContact CA-OE2 3.13Å; C41-E46 HydrophobicContact CB-CB 4.4Å; R42-E46 WeakPolarHBondContact CB-OE1 3.43Å; R42-E46 PolarHBondContact N-OE1 3.37Å; R42-E46 PolarHBondContact N-OE2 3.14Å; R43-E46 HydrophobicContact CB-CG 4.35Å; R43-E46 WeakPolarHBondContact CB-OE1 3.44Å; R43-E46 WeakPolarHBondContact CG-OE1 3.05Å; R43-E46 PolarHBondContact N-OE1 3.17Å; R43-E46 WeakPolarHBondContact O-CB 3.21Å; R43-E46 PolarHBondContact O-N 3.31Å; H44-E46 PolarHBondContact O-N 2.89Å; H44-E46 VanDerWaalsContact O-N 3.14Å |
| 47 | C | 80.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -90.9 | 139.1 | -176.4 | -55 | 0 | 0 | 0 | 0 | 110.6 | S33 C41 H44 E45 S49 N50 C51 C63 | S33-C47 VanDerWaalsContact OG-C 3.26Å; S33-C47 PolarHBondContact OG-O 3.29Å; C41-C47 VanDerWaalsContact CB-SG 3.57Å; H44-C47 PolarHBondContact O-N 2.73Å; H44-C47 VanDerWaalsContact O-N 3.17Å; E45-C47 VanDerWaalsContact C-N 3.35Å; C47-S49 PolarHBondContact O-N 2.76Å; C47-N50 WeakPolarHBondContact O-CA 2.95Å; C47-N50 PolarHBondContact O-N 2.87Å; C47-C51 PolarHBondContact SG-O 3.5Å; C47-C51 VanDerWaalsContact SG-O 3.39Å; C47-C63 VanDerWaalsContact CA-SG 3.51Å; C47-C63 HydrophobicContact CB-CB 3.69Å; C47-C63 WeakPolarHBondContact CB-SG 3.45Å; C47-C63 WeakPolarHBondContact SG-CA 3.19Å; C47-C63 WeakPolarHBondContact SG-CB 3.03Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.24Å |
| 48 | Q | 79.8 | Confident | 75.2 | Confident | 129 Ų | 129 | 71.5 Ų | 71.5 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -41.1 | 170.4 | -84.8 | -170 | 1.2 | 0 | 0 | 112.1 | S33 K35 N50 | S33-Q48 WeakPolarHBondContact O-CG 3.03Å; S33-Q48 WeakPolarHBondContact OG-CA 3.1Å; S33-Q48 PolarHBondContact OG-N 3.21Å; K35-Q48 PolarHBondContact O-N 3.21Å; Q48-N50 PolarHBondContact O-N 3.43Å; Q48-N50 PolarHBondContact O-ND2 2.59Å |
| 49 | S | 72.8 | Confident | 74.5 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -3.9 | 178.3 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | C47 C51 T64 K66 | C47-S49 PolarHBondContact O-N 2.76Å; S49-C51 PolarHBondContact O-N 3.05Å; S49-C51 VanDerWaalsContact O-N 3.17Å; S49-C51 PolarHBondContact OG-N 3.39Å; S49-T64 WeakPolarHBondContact CB-O 3.32Å; S49-T64 PolarHBondContact OG-O 3.18Å; S49-K66 PolarHBondContact O-NZ 3.19Å |
| 50 | N | 76.2 | Confident | 74 | Confident | 57 Ų | 57 | 76.1 Ų | 76.1 | 31% | 0.305 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 51.6 | 28.6 | -170.6 | -67.4 | -99.2 | 0 | 0 | 0 | 113.9 | H44 C47 Q48 | H44-N50 WeakPolarHBondContact CB-O 3.33Å; H44-N50 PolarHBondContact CD2-O 3.04Å; H44-N50 CarbonylContact O-C 3.47Å; H44-N50 WeakPolarHBondContact O-CA 3.38Å; C47-N50 WeakPolarHBondContact O-CA 2.95Å; C47-N50 PolarHBondContact O-N 2.87Å; Q48-N50 PolarHBondContact O-N 3.43Å; Q48-N50 PolarHBondContact O-ND2 2.59Å |
| 51 | C | 80.1 | Confident | 73.6 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.383 | C | S | . | . | trans | -129.4 | 108.4 | -176.8 | -76.7 | 0 | 0 | 0 | 0 | 110 | C47 S49 C63 T64 C72 | C47-C51 PolarHBondContact SG-O 3.5Å; C47-C51 VanDerWaalsContact SG-O 3.39Å; S49-C51 PolarHBondContact O-N 3.05Å; S49-C51 VanDerWaalsContact O-N 3.17Å; S49-C51 PolarHBondContact OG-N 3.39Å; C51-C63 WeakPolarHBondContact O-CA 3.43Å; C51-T64 WeakPolarHBondContact CB-O 3.2Å; C51-T64 PolarHBondContact O-N 3.17Å; C51-C72 VanDerWaalsContact CA-SG 3.55Å; C51-C72 HydrophobicContact CB-CB 3.68Å; C51-C72 WeakPolarHBondContact CB-SG 3.25Å; C51-C72 VanDerWaalsContact SG-CA 3.52Å; C51-C72 WeakPolarHBondContact SG-CB 3.25Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 3Å | ||
| 52 | C | 84.4 | Confident | 73.8 | Confident | 13 Ų | 13 | 76.9 Ų | 76.9 | 9% | 0.088 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 105.6 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | C41 H44 | C41-C52 HydrophobicContact CB-CB 3.88Å; C41-C52 WeakPolarHBondContact CB-SG 3.27Å; C41-C52 PolarHBondContact O-SG 2.81Å; C41-C52 VanDerWaalsContact O-SG 3.34Å; C41-C52 WeakPolarHBondContact SG-CA 3.39Å; C41-C52 WeakPolarHBondContact SG-CB 3.44Å; C41-C52 CovalentContact SG-SG 2.02Å; C41-C52 PolarHBondContact SG-SG 3.47Å; H44-C52 PolarHBondContact CD2-N 3.27Å |
| 53 | T | 80.3 | Confident | 73.9 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.6 | -174 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | N55 L62 T64 C72 | T53-N55 PolarHBondContact O-N 3.06Å; T53-L62 PolarHBondContact N-O 2.88Å; T53-L62 PolarHBondContact O-N 3.22Å; T53-L62 VanDerWaalsContact O-O 3.08Å; T53-T64 WeakPolarHBondContact OG1-CG2 3.43Å; T53-T64 PolarHBondContact OG1-OG1 3.44Å; T53-C72 HydrophobicContact CG2-CB 3.82Å |
| 54 | I | 71.9 | Confident | 74.1 | Confident | 113 Ų | 113 | 59.6 Ų | 59.6 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.6 | 178.9 | -60.4 | 165.3 | 0 | 0 | 0 | 108.1 | T61 | I54-T61 HydrophobicContact CD1-CG2 4.48Å; I54-T61 HydrophobicContact CG1-CG2 3.54Å |
| 55 | N | 73.7 | Confident | 73.9 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | trans | -77.3 | 134.2 | 171.4 | -174.7 | 13.7 | 0 | 0 | 0 | 109.3 | T53 L57 A58 H60 L62 | T53-N55 PolarHBondContact O-N 3.06Å; N55-L57 PolarHBondContact O-N 2.8Å; N55-L57 VanDerWaalsContact O-N 3.09Å; N55-A58 PolarHBondContact O-N 3.29Å; N55-H60 PolarHBondContact N-O 2.76Å; N55-L62 HydrophobicContact CB-CD1 3.46Å; N55-L62 VanDerWaalsContact CB-CD1 3.46Å | ||
| 56 | S | 59.1 | Low | 73.6 | Confident | 103 Ų | 103 | 56.9 Ų | 56.9 | 72% | 0.72 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.4 | 179.7 | -168.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 57 | L | 58.5 | Low | 73.1 | Confident | 153 Ų | 153 | 57.3 Ų | 57.3 | 80% | 0.801 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -16.2 | -178 | -83.2 | 67.8 | 0 | 0 | 0 | 113.7 | N55 | N55-L57 PolarHBondContact O-N 2.8Å; N55-L57 VanDerWaalsContact O-N 3.09Å |
| 58 | A | 52.6 | Low | 72.4 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -155.9 | 150.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | N55 H60 | N55-A58 PolarHBondContact O-N 3.29Å; A58-H60 PolarHBondContact O-N 3.1Å |
| 59 | P | 62.9 | Low | 71.7 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 78% | 0.779 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -70.4 | 30.1 | 178.2 | 32.3 | -37 | 0 | 0 | 0 | 113.3 | ||
| 60 | H | 66.4 | Low | 71.4 | Confident | 114 Ų | 114 | 71.9 Ų | 71.9 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | trans | -110.2 | 129.1 | -178.6 | -61.6 | -59.1 | 0 | 0 | 0 | 110 | N55 A58 | N55-H60 PolarHBondContact N-O 2.76Å; A58-H60 PolarHBondContact O-N 3.1Å | ||
| 61 | T | 74.8 | Confident | 70.9 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 121.5 | 168.9 | 37.8 | 0 | 0 | 0 | 0 | 108.7 | P40 C41 I54 | P40-T61 CarbonylContact C-O 3.52Å; P40-T61 VanDerWaalsContact CA-O 3.25Å; P40-T61 WeakPolarHBondContact CA-O 3.28Å; C41-T61 PolarHBondContact N-O 2.95Å; C41-T61 WeakPolarHBondContact O-CB 3.39Å; C41-T61 PolarHBondContact O-OG1 2.8Å; I54-T61 HydrophobicContact CD1-CG2 4.48Å; I54-T61 HydrophobicContact CG1-CG2 3.54Å |
| 62 | L | 83 | Confident | 70.5 | Confident | 32 Ų | 32 | 77.1 Ų | 77.1 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 150.3 | -174.2 | -67.2 | 146.4 | 0 | 0 | 0 | 110.1 | G38 E39 P40 T53 N55 T64 | G38-L62 WeakPolarHBondContact O-CD2 3.02Å; E39-L62 CarbonylContact O-C 3.46Å; E39-L62 VanDerWaalsContact O-CA 3.28Å; E39-L62 WeakPolarHBondContact O-CA 3.03Å; P40-L62 HydrophobicContact CB-CD2 4.42Å; T53-L62 PolarHBondContact N-O 2.88Å; T53-L62 PolarHBondContact O-N 3.22Å; T53-L62 VanDerWaalsContact O-O 3.08Å; N55-L62 HydrophobicContact CB-CD1 3.46Å; N55-L62 VanDerWaalsContact CB-CD1 3.46Å; L62-T64 PolarHBondContact O-N 2.87Å |
| 63 | C | 83.9 | Confident | 69.7 | Low | 1 Ų | 1 | 80.6 Ų | 80.6 | 1% | 0.007 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 123.4 | 175.8 | -69.5 | 0 | 0 | 0 | 0 | 110.5 | G36 I37 G38 E39 C47 C51 | G36-C63 WeakPolarHBondContact O-CB 3.39Å; I37-C63 WeakPolarHBondContact CA-O 3.46Å; G38-C63 PolarHBondContact N-O 2.02Å; E39-C63 PolarHBondContact O-N 3.34Å; C47-C63 VanDerWaalsContact CA-SG 3.51Å; C47-C63 HydrophobicContact CB-CB 3.69Å; C47-C63 WeakPolarHBondContact CB-SG 3.45Å; C47-C63 WeakPolarHBondContact SG-CA 3.19Å; C47-C63 WeakPolarHBondContact SG-CB 3.03Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.24Å; C51-C63 WeakPolarHBondContact O-CA 3.43Å |
| 64 | T | 76.3 | Confident | 68.9 | Low | 10 Ų | 10 | 81.9 Ų | 81.9 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | trans | -115.1 | 149.3 | 177.5 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | S49 C51 T53 L62 | S49-T64 WeakPolarHBondContact CB-O 3.32Å; S49-T64 PolarHBondContact OG-O 3.18Å; C51-T64 WeakPolarHBondContact CB-O 3.2Å; C51-T64 PolarHBondContact O-N 3.17Å; T53-T64 WeakPolarHBondContact OG1-CG2 3.43Å; T53-T64 PolarHBondContact OG1-OG1 3.44Å; L62-T64 PolarHBondContact O-N 2.87Å | ||
| 65 | P | 73.8 | Confident | 68.1 | Low | 42 Ų | 42 | 84 Ų | 84 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 153.7 | 176 | 32.7 | -38.7 | 0 | 0 | 0 | 110.9 | I37 W75 | I37-P65 HydrophobicContact CD1-CB 3.95Å; I37-P65 HydrophobicContact CD1-CG 4.47Å; I37-P65 HydrophobicContact CG1-CB 4.44Å; P65-W75 HydrophobicContact CG-CE3 3.73Å; P65-W75 HydrophobicContact CG-CZ3 3.55Å |
| 66 | K | 73.5 | Confident | 67.1 | Low | 91 Ų | 91 | 90.2 Ų | 90.2 | 40% | 0.396 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 139.3 | 166 | -82 | -174 | 159 | 85.7 | 0 | 109.6 | S49 L70 | S49-K66 PolarHBondContact O-NZ 3.19Å; K66-L70 HydrophobicContact CD-CB 4.48Å; K66-L70 HydrophobicContact CD-CG 4.37Å |
| 67 | T | 69.5 | Low | 66.5 | Low | 47 Ų | 47 | 93.7 Ų | 93.7 | 29% | 0.288 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 171.5 | 168.9 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | F69 L70 Q71 L73 | T67-F69 PolarHBondContact O-N 3.25Å; T67-L70 WeakPolarHBondContact O-CA 3.12Å; T67-L70 PolarHBondContact O-N 3.23Å; T67-Q71 PolarHBondContact N-O 3.32Å; T67-Q71 PolarHBondContact OG1-N 3.33Å; T67-Q71 PolarHBondContact OG1-O 3.43Å; T67-Q71 VanDerWaalsContact OG1-O 3.1Å; T67-L73 HydrophobicContact CG2-CB 4.12Å; T67-L73 HydrophobicContact CG2-CD1 3.83Å; T67-L73 HydrophobicContact CG2-CG 4.03Å |
| 68 | I | 66 | Low | 65.8 | Low | 164 Ų | 164 | 92.7 Ų | 92.7 | 84% | 0.841 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -23.6 | 178 | -59.8 | 166.4 | 0 | 0 | 0 | 111.8 | ||
| 69 | F | 66.1 | Low | 65.6 | Low | 167 Ų | 167 | 94.9 Ų | 94.9 | 73% | 0.732 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 11.2 | 176.2 | -60.4 | -76.8 | 0 | 0 | 0 | 114.2 | T67 Q71 | T67-F69 PolarHBondContact O-N 3.25Å; F69-Q71 HydrophobicContact CB-CG 4.35Å; F69-Q71 PolarHBondContact O-N 3.09Å |
| 70 | L | 66.3 | Low | 64.9 | Low | 126 Ų | 126 | 95.2 Ų | 95.2 | 66% | 0.66 | 48% | 0.484 | S | S | * | . | trans | 59 | 12.1 | -175.2 | -77.2 | 69.8 | 0 | 0 | 0 | 114.7 | K66 T67 | K66-L70 HydrophobicContact CD-CB 4.48Å; K66-L70 HydrophobicContact CD-CG 4.37Å; T67-L70 WeakPolarHBondContact O-CA 3.12Å; T67-L70 PolarHBondContact O-N 3.23Å | ||
| 71 | Q | 65.1 | Low | 63.7 | Low | 119 Ų | 119 | 98 Ų | 98 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | trans | -83 | 133.8 | 178.1 | -67.6 | -179.4 | -0.4 | 0 | 0 | 110.7 | T67 F69 L73 | T67-Q71 PolarHBondContact N-O 3.32Å; T67-Q71 PolarHBondContact OG1-N 3.33Å; T67-Q71 PolarHBondContact OG1-O 3.43Å; T67-Q71 VanDerWaalsContact OG1-O 3.1Å; F69-Q71 HydrophobicContact CB-CG 4.35Å; F69-Q71 PolarHBondContact O-N 3.09Å; Q71-L73 HydrophobicContact CB-CG 4.45Å; Q71-L73 PolarHBondContact O-N 3.4Å | ||
| 72 | C | 71.4 | Confident | 62.6 | Low | 48 Ų | 48 | 98.7 Ų | 98.7 | 32% | 0.324 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -74.6 | 90.5 | 172.4 | -58 | 0 | 0 | 0 | 0 | 108.9 | C51 T53 | C51-C72 VanDerWaalsContact CA-SG 3.55Å; C51-C72 HydrophobicContact CB-CB 3.68Å; C51-C72 WeakPolarHBondContact CB-SG 3.25Å; C51-C72 VanDerWaalsContact SG-CA 3.52Å; C51-C72 WeakPolarHBondContact SG-CB 3.25Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 3Å; T53-C72 HydrophobicContact CG2-CB 3.82Å |
| 73 | L | 68.8 | Low | 60.9 | Low | 86 Ų | 86 | 103.9 Ų | 103.9 | 45% | 0.45 | 55% | 0.55 | S | S | . | * | trans | -92.2 | 137.5 | 174.9 | -65 | -174.8 | 0 | 0 | 0 | 110.2 | T67 Q71 W75 | T67-L73 HydrophobicContact CG2-CB 4.12Å; T67-L73 HydrophobicContact CG2-CD1 3.83Å; T67-L73 HydrophobicContact CG2-CG 4.03Å; Q71-L73 HydrophobicContact CB-CG 4.45Å; Q71-L73 PolarHBondContact O-N 3.4Å; L73-W75 PolarHBondContact O-N 2.03Å | ||
| 74 | P | 62.5 | Low | 59.3 | Low | 51 Ų | 51 | 110.5 Ų | 110.5 | 33% | 0.331 | 59% | 0.585 | S | S | . | * | trans | -62.2 | 136.6 | 169.1 | 27.2 | -32.5 | 0 | 0 | 0 | 108.2 | R76 | P74-R76 PolarHBondContact O-N 2.84Š| ||
| 75 | W | 54.8 | Low | 57.8 | Low | 158 Ų | 158 | 113.3 Ų | 113.3 | 60% | 0.598 | 61% | 0.61 | S | S | * | * | trans | -60.4 | 98.3 | -179.3 | -166.9 | -72.9 | 0 | 0 | 0 | 109.9 | I37 P65 L73 | I37-W75 HydrophobicContact CG2-CE3 4.24Å; I37-W75 HydrophobicContact CG2-CZ3 4.01Å; P65-W75 HydrophobicContact CG-CE3 3.73Å; P65-W75 HydrophobicContact CG-CZ3 3.55Å; L73-W75 PolarHBondContact O-N 2.03Å | ||
| 76 | R | 54.4 | Low | 56.5 | Low | 173 Ų | 173 | 121.1 Ų | 121.1 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | trans | -91.2 | 103.5 | 169.5 | -68.9 | -78.1 | -168.8 | 161.3 | 2.8 | 106 | P74 V78 | P74-R76 PolarHBondContact O-N 2.84Å; R76-V78 PolarHBondContact O-N 2.84Å | ||
| 77 | K | 45.5 | Very low | 55.2 | Low | 176 Ų | 176 | 122.6 Ų | 122.6 | 77% | 0.765 | 65% | 0.651 | S | S | * | * | trans | -59.8 | 115.3 | 161.7 | -172.9 | 160.1 | -173.6 | 173.1 | 0 | 105.9 | S79 | K77-S79 PolarHBondContact O-N 3.21Š| ||
| 78 | V | 44.9 | Very low | 54.1 | Low | 133 Ų | 133 | 124.6 Ų | 124.6 | 81% | 0.806 | 66% | 0.663 | S | S | * | * | trans | -69.3 | 75.6 | 171.6 | -73.3 | 0 | 0 | 0 | 0 | 107.8 | R76 | R76-V78 PolarHBondContact O-N 2.84Š| ||
| 79 | S | 48.4 | Very low | 52.9 | Low | 82 Ų | 82 | 125.5 Ų | 125.5 | 57% | 0.573 | 66% | 0.664 | S | S | * | * | trans | -57.4 | 127.5 | 156 | -58.7 | 0 | 0 | 0 | 0 | 105.7 | K77 M81 | K77-S79 PolarHBondContact O-N 3.21Å; S79-M81 PolarHBondContact O-N 2.87Å | ||
| 80 | P | 48.2 | Very low | 51.7 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -71.7 | 76.3 | 173.8 | 30.8 | -31.9 | 0 | 0 | 0 | 107.3 | ||
| 81 | M | 39.6 | Very low | 50.5 | Low | 171 Ų | 171 | 120.6 Ų | 120.6 | 84% | 0.842 | 67% | 0.665 | S | S | * | * | trans | -163.9 | 119.5 | 162.6 | -140.3 | 62.6 | 171.9 | 0 | 0 | 108.5 | S79 | S79-M81 PolarHBondContact O-N 2.87Š| ||
| 82 | G | 52.8 | Low | 49.6 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | -59.6 | 152.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 83 | T | 47.1 | Very low | 48.1 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 86% | 0.859 | 70% | 0.696 | S | S | * | * | -172 | 121 | 128.7 | 21.1 | 0 | 0 | 0 | 0 | 106.3 | A85 | T83-A85 PolarHBondContact O-N 3.38Š| |||
| 84 | D | 50.1 | Low | 46.7 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | trans | -53.2 | 104.1 | 174 | -70.4 | -70.9 | 0 | 0 | 0 | 110.7 | R86 | D84-R86 HydrophobicContact CB-CB 4.44Å; D84-R86 PolarHBondContact O-N 2.53Å | ||
| 85 | A | 45.1 | Very low | 45.7 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 57% | 0.57 | 73% | 0.729 | S | S | * | * | trans | -84.5 | 44.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T83 T87 | T83-A85 PolarHBondContact O-N 3.38Å; A85-T87 PolarHBondContact O-N 3.01Å | ||
| 86 | R | 45.6 | Very low | 45 | Very low | 207 Ų | 207 | 125.6 Ų | 125.6 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -88.7 | 61.3 | 163.7 | -170.7 | -173.9 | -70.5 | 153.7 | 1.1 | 107.9 | D84 | D84-R86 HydrophobicContact CB-CB 4.44Å; D84-R86 PolarHBondContact O-N 2.53Å | ||
| 87 | T | 47.6 | Very low | 44.4 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -156.7 | 134.4 | 162.8 | -60 | 0 | 0 | 0 | 0 | 106.6 | A85 | A85-T87 PolarHBondContact O-N 3.01Š|
| 88 | T | 45.7 | Very low | 44 | Very low | 88 Ų | 88 | 118.9 Ų | 118.9 | 54% | 0.54 | 74% | 0.744 | S | S | . | * | S | Bend | trans | 87.6 | 32.7 | 176.8 | -2.2 | 0 | 0 | 0 | 0 | 118.8 | ||
| 89 | Q | 41.6 | Very low | 44 | Very low | 184 Ų | 184 | 118.4 Ų | 118.4 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -100.8 | -16.5 | 160.7 | -102.4 | 174.5 | -13.3 | 0 | 0 | 114.2 | ||
| 90 | S | 39.5 | Very low | 43.9 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -86 | -10 | -177.8 | 56.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 91 | A | 42.8 | Very low | 43.6 | Very low | 72 Ų | 72 | 119.1 Ų | 119.1 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -100.2 | -8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 92 | R | 45.8 | Very low | 43.6 | Very low | 204 Ų | 204 | 122.1 Ų | 122.1 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -105 | 2.9 | -177 | -71.6 | -174.7 | -176.5 | 140.3 | 0.6 | 115.2 | A94 | R92-A94 PolarHBondContact O-N 3.44Å; R92-A94 VanDerWaalsContact O-N 3.17Å |
| 93 | A | 38.5 | Very low | 43 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -3.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 94 | A | 40.3 | Very low | 42.9 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -5.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R92 | R92-A94 PolarHBondContact O-N 3.44Å; R92-A94 VanDerWaalsContact O-N 3.17Å |
| 95 | A | 42.1 | Very low | 42.2 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -107.1 | -1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 96 | A | 39.1 | Very low | 41.9 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -121.1 | 9.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A98 | A96-A98 VanDerWaalsContact C-N 3.32Š|
| 97 | S | 42.4 | Very low | 41.9 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -90.9 | 6.5 | 168.6 | -54.4 | 0 | 0 | 0 | 0 | 113 | T99 | S97-T99 VanDerWaalsContact C-N 3.31Å; S97-T99 PolarHBondContact O-N 2.58Å |
| 98 | A | 37 | Very low | 41.5 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -97.4 | 49.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A96 T100 | A96-A98 VanDerWaalsContact C-N 3.32Å; A98-T100 PolarHBondContact O-N 2.81Å | ||
| 99 | T | 45.3 | Very low | 41 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -74.8 | 102.2 | 146 | -48.6 | 0 | 0 | 0 | 0 | 105.1 | S97 | S97-T99 VanDerWaalsContact C-N 3.31Å; S97-T99 PolarHBondContact O-N 2.58Å | ||
| 100 | T | 46.4 | Very low | 41.4 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | 173 | 117.6 | 140.9 | -73.5 | 0 | 0 | 0 | 0 | 108.8 | A98 | A98-T100 PolarHBondContact O-N 2.81Š| ||
| 101 | A | 40.7 | Very low | 41.7 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | 125.6 | 131.1 | 154 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 102 | R | 40 | Very low | 41.5 | Very low | 234 Ų | 234 | 134.5 Ų | 134.5 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | 81.7 | 77 | 178.5 | -57.2 | -177.5 | -169 | -125.7 | 0.7 | 113.1 | ||||
| 103 | R | 40.5 | Very low | 41.3 | Very low | 239 Ų | 239 | 130.9 Ų | 130.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | 34 | 106.5 | 65 | -89 | -170.2 | -160.5 | -152.3 | 4.9 | 112.5 | |||||
| 104 | S | 45.2 | Very low | 41.3 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | 53.6 | 96.2 | 149.6 | -57 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 105 | C | 36.1 | Very low | 41.2 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 86% | 0.858 | 81% | 0.812 | S | S | * | * | trans | -124.6 | 115.1 | 145.4 | -72.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 106 | A | 38.7 | Very low | 40.7 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -55.8 | 148.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P108 | A106-P108 WeakPolarHBondContact O-CD 3.29Š| ||
| 107 | R | 45.4 | Very low | 40.8 | Very low | 245 Ų | 245 | 137 Ų | 137 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | -43.5 | 120.7 | 169.5 | -172.5 | -169.5 | -80.1 | -140.6 | 0.8 | 110.9 | ||||
| 108 | P | 38.9 | Very low | 40.4 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -88.7 | 136.3 | 168.6 | 32.7 | -28 | 0 | 0 | 0 | 110.2 | A106 | A106-P108 WeakPolarHBondContact O-CD 3.29Š| ||
| 109 | K | 35.5 | Very low | 40.4 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -75.8 | 143.3 | 169.4 | -162.8 | 150.8 | -176.6 | 171.2 | 0 | 108.2 | S111 | K109-S111 PolarHBondContact O-N 2.72Å; K109-S111 VanDerWaalsContact O-N 3.14Å | ||
| 110 | A | 49.3 | Very low | 40 | Very low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -63.7 | 109.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 111 | S | 45.7 | Very low | 39.8 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -173.8 | 136.1 | 149.8 | 50.1 | 0 | 0 | 0 | 0 | 111 | K109 | K109-S111 PolarHBondContact O-N 2.72Å; K109-S111 VanDerWaalsContact O-N 3.14Å | ||
| 112 | S | 38 | Very low | 39.8 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 83.3 | 109.1 | 164.3 | -140.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 113 | C | 42.2 | Very low | 39.6 | Very low | 128 Ų | 128 | 130 Ų | 130 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | -61.4 | 128.7 | 167.5 | -58 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 114 | S | 37.9 | Very low | 39.6 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -124.1 | 116.6 | 164.4 | -60.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 115 | V | 38 | Very low | 39.3 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 128.4 | 178.4 | 174.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 116 | C | 32.9 | Very low | 39.3 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 124.7 | 163.1 | -68.6 | 0 | 0 | 0 | 0 | 108.6 | ||
| 117 | P | 40 | Very low | 39.3 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 138.9 | 177.2 | 32.5 | -30.4 | 0 | 0 | 0 | 110.9 | ||
| 118 | G | 35.3 | Very low | 38.9 | Very low | 78 Ų | 78 | 117.9 Ų | 117.9 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 78.6 | 79.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 119 | A | 36 | Very low | 38.9 | Very low | 97 Ų | 97 | 119.7 Ų | 119.7 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -142.2 | 96.5 | 138.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | P121 | A119-P121 WeakPolarHBondContact O-CD 3.5Š| ||
| 120 | S | 37.3 | Very low | 39.1 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -58.7 | 135.6 | 173.2 | -59 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 121 | P | 42.1 | Very low | 38.5 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -119.1 | 107.7 | 137.4 | 32.6 | -27 | 0 | 0 | 0 | 109.6 | A119 A123 | A119-P121 WeakPolarHBondContact O-CD 3.5Å; P121-A123 PolarHBondContact O-N 3.14Å | ||
| 122 | T | 41.8 | Very low | 38.4 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -65.1 | 110.9 | 155.6 | 40.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 123 | A | 35.2 | Very low | 38.5 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | 168.6 | 89.2 | 137.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P121 | P121-A123 PolarHBondContact O-N 3.14Š| ||
| 124 | T | 41.1 | Very low | 38.3 | Very low | 146 Ų | 146 | 123.3 Ų | 123.3 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | 32.5 | 104.7 | 129.3 | -32.8 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 125 | S | 38.9 | Very low | 38.2 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | -162.6 | 111.2 | 122.3 | 60 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 126 | A | 35.8 | Very low | 38.4 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -71.4 | 168.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 127 | A | 37.2 | Very low | 38.7 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | 88.1 | 85.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 128 | A | 38 | Very low | 38.7 | Very low | 99 Ų | 99 | 120.9 Ų | 120.9 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -147.4 | 72.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 129 | I | 39.6 | Very low | 38.9 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 81% | 0.81 | 86% | 0.855 | S | S | * | * | trans | -148.4 | 133 | 158.5 | -40.2 | 178 | 0 | 0 | 0 | 111.2 | ||||
| 130 | R | 39.5 | Very low | 39.1 | Very low | 235 Ų | 235 | 127.9 Ų | 127.9 | 89% | 0.887 | 86% | 0.858 | S | S | * | * | trans | 90.5 | 105.4 | 155.7 | -79.3 | 158.6 | 157.7 | -137.8 | -13 | 118.5 | ||||
| 131 | S | 36.1 | Very low | 39.2 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 86% | 0.86 | S | S | * | * | -175.8 | 110.6 | 105.6 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 132 | V | 43.3 | Very low | 39 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 89% | 0.891 | 86% | 0.864 | S | S | * | * | trans | -114.2 | 97.8 | 164.7 | -147 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 133 | T | 40 | Very low | 38.9 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 82% | 0.816 | 87% | 0.865 | S | S | * | * | trans | -169.4 | 128.3 | 159.4 | 37.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 134 | A | 38.3 | Very low | 39.1 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 86% | 0.86 | 87% | 0.873 | S | S | * | * | trans | 69.3 | 105.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 135 | S | 36.8 | Very low | 39 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 88% | 0.881 | 87% | 0.871 | S | S | * | * | trans | -146.6 | 99.4 | 135.8 | -160.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 136 | A | 42.3 | Very low | 39 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 87% | 0.868 | 87% | 0.874 | S | S | * | * | trans | -132.3 | 88.4 | 163 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 137 | A | 38.9 | Very low | 39.2 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 88% | 0.878 | S | S | * | * | trans | -172.4 | 105.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 138 | S | 40.3 | Very low | 39.4 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 88% | 0.879 | S | S | * | * | trans | -176 | 122 | 155.7 | 58 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 139 | S | 39.5 | Very low | 39.5 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 100% | 1.364 | 89% | 0.885 | S | S | * | * | cis | -158.2 | 0 | 14.7 | -62.8 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 139 of 139 residues in 189.2 ms
(Link to these results)