| 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 | 46.3 | Very low | 51.6 | Low | 220 Ų | 220 | 116.1 Ų | 116.1 | 100% | 1.084 | 74% | 0.744 | S | S | * | * | 0 | 131.3 | 0 | -58.9 | -60.1 | 178.7 | 0 | 0 | 107 | |||||
| 2 | P | 46.9 | Very low | 52.2 | Low | 129 Ų | 129 | 115.5 Ų | 115.5 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | cis | -121 | 168.5 | 23.5 | 34.5 | -17.6 | 0 | 0 | 0 | 115 | ||||
| 3 | H | 52.2 | Low | 53.1 | Low | 182 Ų | 182 | 112.2 Ų | 112.2 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | -68 | 147.6 | 165.4 | -70.9 | -92.6 | 0 | 0 | 0 | 111.6 | ||||
| 4 | G | 40.2 | Very low | 53.8 | Low | 77 Ų | 77 | 112.1 Ų | 112.1 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | trans | -149.2 | 119.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | A | 53.8 | Low | 54.3 | Low | 91 Ų | 91 | 111.3 Ų | 111.3 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | -61.1 | 161.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | T7 | A5-T7 PolarHBondContact O-N 3.45Š| ||
| 6 | P | 50.1 | Low | 54.8 | Low | 108 Ų | 108 | 110.6 Ų | 110.6 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | trans | -73.2 | 123.4 | 173.8 | 30.9 | -33.2 | 0 | 0 | 0 | 110.6 | S8 | P6-S8 PolarHBondContact O-N 2.86Š| ||
| 7 | T | 53.5 | Low | 55.2 | Low | 132 Ų | 132 | 110.5 Ų | 110.5 | 81% | 0.81 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 8.7 | 172.9 | 42.2 | 0 | 0 | 0 | 0 | 114 | A5 | A5-T7 PolarHBondContact O-N 3.45Š|
| 8 | S | 55.9 | Low | 55.4 | Low | 87 Ų | 87 | 111.2 Ų | 111.2 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -10.6 | -173 | -149.2 | 0 | 0 | 0 | 0 | 114.4 | P6 | P6-S8 PolarHBondContact O-N 2.86Š|
| 9 | A | 55.6 | Low | 55.6 | Low | 71 Ų | 71 | 111.9 Ų | 111.9 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -86.6 | -17.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P13 | A9-P13 WeakPolarHBondContact O-CD 3.49Š|
| 10 | A | 56.7 | Low | 55.6 | Low | 73 Ų | 73 | 113.2 Ų | 113.2 | 60% | 0.603 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -87 | -16.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | P13 | A10-P13 WeakPolarHBondContact O-CG 3.23Š|
| 11 | L | 56.5 | Low | 55.5 | Low | 107 Ų | 107 | 110.9 Ų | 110.9 | 56% | 0.56 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -87.3 | -24.6 | 179.7 | -66.6 | 172.2 | 0 | 0 | 0 | 113 | L14 L15 | L11-L14 PolarHBondContact O-N 2.91Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.01Å |
| 12 | L | 59.2 | Low | 55.6 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 57% | 0.571 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59.9 | -50.2 | 175.2 | -81.3 | 160.8 | 0 | 0 | 0 | 113.3 | L14 L15 L16 | L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 3.39Å; L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CD1 3.37Å; L12-L16 PolarHBondContact O-N 3.17Å |
| 13 | P | 63.8 | Low | 55.6 | Low | 72 Ų | 72 | 103.7 Ų | 103.7 | 47% | 0.468 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.8 | -32 | 177.8 | 23.8 | -32.4 | 0 | 0 | 0 | 112.3 | A9 A10 L16 V17 | A9-P13 WeakPolarHBondContact O-CD 3.49Å; A10-P13 WeakPolarHBondContact O-CG 3.23Å; P13-L16 PolarHBondContact O-N 3.23Å; P13-V17 VanDerWaalsContact O-CG2 3.32Å; P13-V17 WeakPolarHBondContact O-CG2 3.36Å; P13-V17 PolarHBondContact O-N 3.43Å |
| 14 | L | 61.8 | Low | 55.2 | Low | 111 Ų | 111 | 100.3 Ų | 100.3 | 58% | 0.581 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.1 | -41.4 | 177.2 | -144.3 | 78.3 | 0 | 0 | 0 | 111.6 | L11 L12 V17 L18 | L11-L14 PolarHBondContact O-N 2.91Å; L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.4Å; L14-V17 PolarHBondContact O-N 3.49Å; L14-L18 WeakPolarHBondContact O-CD1 3.48Å; L14-L18 PolarHBondContact O-N 3.39Å |
| 15 | L | 61.6 | Low | 55.6 | Low | 101 Ų | 101 | 101.1 Ų | 101.1 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.9 | -37.4 | 173.3 | -82 | 162.1 | 0 | 0 | 0 | 112.3 | L11 L12 L18 L19 | L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.39Å; L15-L18 PolarHBondContact O-N 3.34Å; L15-L19 WeakPolarHBondContact O-CB 3.46Å; L15-L19 WeakPolarHBondContact O-CD1 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 2.98Å |
| 16 | L | 62.2 | Low | 55.3 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.3 | -40.4 | 174.4 | -91.1 | 145.8 | 0 | 0 | 0 | 112.1 | L12 P13 L19 L20 | L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CD1 3.37Å; L12-L16 PolarHBondContact O-N 3.17Å; P13-L16 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 3.33Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 VanDerWaalsContact O-CD1 3.3Å; L16-L20 WeakPolarHBondContact O-CD1 3.38Å; L16-L20 PolarHBondContact O-N 3.28Å |
| 17 | V | 62.4 | Low | 55.1 | Low | 108 Ų | 108 | 100.3 Ų | 100.3 | 66% | 0.655 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67 | -38.4 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | P13 L14 L20 G21 | P13-V17 VanDerWaalsContact O-CG2 3.32Å; P13-V17 WeakPolarHBondContact O-CG2 3.36Å; P13-V17 PolarHBondContact O-N 3.43Å; L14-V17 PolarHBondContact O-N 3.49Å; V17-L20 PolarHBondContact O-N 2.93Å; V17-G21 PolarHBondContact O-N 2.64Å |
| 18 | L | 58.8 | Low | 54.9 | Low | 124 Ų | 124 | 101.9 Ų | 101.9 | 65% | 0.649 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.1 | -36 | 173.8 | -95.5 | 140.4 | 0 | 0 | 0 | 112.9 | L14 L15 | L14-L18 WeakPolarHBondContact O-CD1 3.48Å; L14-L18 PolarHBondContact O-N 3.39Å; L15-L18 PolarHBondContact O-N 3.34Å |
| 19 | L | 58.2 | Low | 54.9 | Low | 124 Ų | 124 | 102.9 Ų | 102.9 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77 | -31.1 | 176.5 | -74 | 163 | 0 | 0 | 0 | 112.7 | L15 L16 G21 A22 | L15-L19 WeakPolarHBondContact O-CB 3.46Å; L15-L19 WeakPolarHBondContact O-CD1 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.33Å; L19-G21 VanDerWaalsContact C-N 3.29Å; L19-G21 PolarHBondContact O-N 2.97Å; L19-A22 PolarHBondContact O-N 3.43Å |
| 20 | L | 56.9 | Low | 55.3 | Low | 137 Ų | 137 | 105 Ų | 105 | 72% | 0.717 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.2 | -20.1 | 173.9 | -100.3 | 69.8 | 0 | 0 | 0 | 113.2 | L16 V17 A22 | L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 VanDerWaalsContact O-CD1 3.3Å; L16-L20 WeakPolarHBondContact O-CD1 3.38Å; L16-L20 PolarHBondContact O-N 3.28Å; V17-L20 PolarHBondContact O-N 2.93Å; L20-A22 VanDerWaalsContact C-N 3.31Å |
| 21 | G | 53.5 | Low | 55.7 | Low | 65 Ų | 65 | 110 Ų | 110 | 67% | 0.67 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -3.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V17 L19 | V17-G21 PolarHBondContact O-N 2.64Å; L19-G21 VanDerWaalsContact C-N 3.29Å; L19-G21 PolarHBondContact O-N 2.97Å |
| 22 | A | 47.5 | Very low | 56.5 | Low | 79 Ų | 79 | 106.2 Ų | 106.2 | 65% | 0.653 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 20.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L19 L20 S24 | L19-A22 PolarHBondContact O-N 3.43Å; L20-A22 VanDerWaalsContact C-N 3.31Å; A22-S24 VanDerWaalsContact C-N 3.32Å; A22-S24 PolarHBondContact O-N 2.94Å |
| 23 | V | 47.7 | Very low | 57.6 | Low | 119 Ų | 119 | 104.1 Ų | 104.1 | 72% | 0.721 | 61% | 0.612 | S | S | * | * | trans | -96.1 | 74.8 | 155.8 | 174.9 | 0 | 0 | 0 | 0 | 106.6 | S25 | V23-S25 PolarHBondContact O-N 3.38Š| ||
| 24 | S | 44.1 | Very low | 58.6 | Low | 112 Ų | 112 | 108.7 Ų | 108.7 | 78% | 0.783 | 63% | 0.625 | S | S | * | * | trans | -71 | 85.5 | 151.3 | -172.1 | 0 | 0 | 0 | 0 | 105.3 | A22 A26 | A22-S24 VanDerWaalsContact C-N 3.32Å; A22-S24 PolarHBondContact O-N 2.94Å; S24-A26 PolarHBondContact O-N 3.22Å | ||
| 25 | S | 47.6 | Very low | 60 | Low | 94 Ų | 94 | 109.1 Ų | 109.1 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | trans | -63.3 | 91.6 | 152.7 | 56.1 | 0 | 0 | 0 | 0 | 104.6 | V23 P27 | V23-S25 PolarHBondContact O-N 3.38Å; S25-P27 VanDerWaalsContact O-N 3.1Å | ||
| 26 | A | 47.7 | Very low | 61.4 | Low | 64 Ų | 64 | 107.8 Ų | 107.8 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | trans | -43.2 | 123.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | S24 L28 | S24-A26 PolarHBondContact O-N 3.22Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.44Å | ||
| 27 | P | 45.4 | Very low | 62.9 | Low | 117 Ų | 117 | 104.8 Ų | 104.8 | 76% | 0.76 | 60% | 0.599 | S | S | * | * | trans | -54.3 | 112 | 173.3 | -4.9 | 11.3 | 0 | 0 | 0 | 104.6 | S25 E29 | S25-P27 VanDerWaalsContact O-N 3.1Å; P27-E29 PolarHBondContact O-N 2.92Å | ||
| 28 | L | 50.2 | Low | 64.4 | Low | 166 Ų | 166 | 104 Ų | 104 | 87% | 0.869 | 60% | 0.595 | S | S | * | * | trans | -67.9 | 79.3 | 160.6 | -66.9 | 175.4 | 0 | 0 | 0 | 103 | A26 P30 | A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.44Å; L28-P30 WeakPolarHBondContact O-CD 3.43Å | ||
| 29 | E | 56.4 | Low | 66.1 | Low | 108 Ų | 108 | 104.5 Ų | 104.5 | 51% | 0.505 | 59% | 0.588 | S | S | . | * | trans | -37.2 | 116.7 | 164.1 | -97.2 | -102.8 | 172.7 | 0 | 0 | 105.9 | P27 R31 K65 | P27-E29 PolarHBondContact O-N 2.92Å; E29-R31 PolarHBondContact O-N 3.38Å; E29-K65 IonicContact OE1-NZ 3.88Å; E29-K65 PolarHBondContact OE1-NZ 3Å; E29-K65 WeakPolarHBondContact OE2-CE 3.49Å; E29-K65 IonicContact OE2-NZ 3.96Å; E29-K65 PolarHBondContact OE2-NZ 3.45Å | ||
| 30 | P | 62.3 | Low | 67.9 | Low | 114 Ų | 114 | 99.1 Ų | 99.1 | 74% | 0.74 | 56% | 0.561 | S | S | * | * | trans | -49.2 | 114.6 | 179 | -26.3 | 33.2 | 0 | 0 | 0 | 107.1 | L28 | L28-P30 WeakPolarHBondContact O-CD 3.43Š| ||
| 31 | R | 66.3 | Low | 69.7 | Low | 179 Ų | 179 | 97 Ų | 97 | 68% | 0.675 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 127.9 | 175 | -102.5 | -172.1 | 164.5 | 118.6 | 2.6 | 106.3 | E29 N33 R70 | E29-R31 PolarHBondContact O-N 3.38Å; R31-N33 PolarHBondContact O-N 3.36Å; R31-R70 VanDerWaalsContact CG-NH1 3.29Å; R31-R70 VanDerWaalsContact CG-NH2 3.31Å; R31-R70 VanDerWaalsContact CZ-CZ 3.48Å |
| 32 | P | 72.6 | Confident | 71.8 | Confident | 28 Ų | 28 | 96.4 Ų | 96.4 | 18% | 0.182 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 130.8 | 169.7 | 25 | -31.6 | 0 | 0 | 0 | 107 | L37 L62 | P32-L37 HydrophobicContact CB-CD1 4.48Å; P32-L37 HydrophobicContact CB-CD2 4.48Å; P32-L37 HydrophobicContact CB-CG 4.12Å; P32-L37 HydrophobicContact CG-CD1 4.17Å; P32-L37 HydrophobicContact CG-CD2 4.22Å; P32-L37 HydrophobicContact CG-CG 4.15Å; P32-L62 HydrophobicContact CB-CD1 4.11Å; P32-L62 HydrophobicContact CB-CD2 3.85Å; P32-L62 HydrophobicContact CB-CG 4.18Å; P32-L62 HydrophobicContact CG-CD2 4.1Å |
| 33 | N | 81.8 | Confident | 74.1 | Confident | 64 Ų | 64 | 96 Ų | 96 | 34% | 0.342 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 157 | 179.2 | 61.6 | 50.7 | 0 | 0 | 0 | 109.1 | R31 E35 E36 L37 | R31-N33 PolarHBondContact O-N 3.36Å; N33-E35 PolarHBondContact O-N 3.24Å; N33-E35 PolarHBondContact OD1-N 3.38Å; N33-E36 VanDerWaalsContact CG-CD 3.48Å; N33-E36 PolarHBondContact N-OE2 2.99Å; N33-E36 PolarHBondContact ND2-OE1 3.49Å; N33-E36 PolarHBondContact ND2-OE2 3.01Å; N33-E36 PolarHBondContact O-N 3.25Å; N33-E36 VanDerWaalsContact O-N 3.13Å; N33-E36 WeakPolarHBondContact OD1-CA 3.44Å; N33-E36 WeakPolarHBondContact OD1-CB 3.44Å; N33-E36 WeakPolarHBondContact OD1-CG 3.18Å; N33-E36 PolarHBondContact OD1-N 3.44Å; N33-L37 PolarHBondContact O-N 2.94Å; N33-L37 VanDerWaalsContact O-N 3.11Å |
| 34 | K | 86.2 | Confident | 76.4 | Confident | 168 Ų | 168 | 91.1 Ų | 91.1 | 73% | 0.73 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -32.2 | -175.3 | -71.5 | -176.4 | 177.8 | -178.1 | 0 | 111 | L37 T38 | K34-L37 PolarHBondContact O-N 2.93Å; K34-T38 WeakPolarHBondContact O-CG2 3.46Å; K34-T38 PolarHBondContact O-N 3.42Å; K34-T38 PolarHBondContact O-OG1 3.06Å; K34-T38 VanDerWaalsContact O-OG1 3.14Å |
| 35 | E | 90.4 | Very high | 78.9 | Confident | 121 Ų | 121 | 89.2 Ų | 89.2 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.4 | -32.3 | 179.1 | -59.2 | 74.5 | -162.4 | 0 | 0 | 112.6 | N33 T38 R39 | N33-E35 PolarHBondContact O-N 3.24Å; N33-E35 PolarHBondContact OD1-N 3.38Å; E35-T38 WeakPolarHBondContact CA-OG1 3.49Å; E35-T38 PolarHBondContact O-OG1 3.03Å; E35-T38 VanDerWaalsContact O-OG1 3.11Å; E35-R39 VanDerWaalsContact O-CB 3.29Å; E35-R39 WeakPolarHBondContact O-CB 3.35Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 VanDerWaalsContact O-N 3.1Å |
| 36 | E | 92.2 | Very high | 81.3 | Confident | 73 Ų | 73 | 90.2 Ų | 90.2 | 34% | 0.341 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74.6 | -40.6 | 174.2 | -86.2 | 163 | -165.1 | 0 | 0 | 111.2 | N33 R39 C40 | N33-E36 VanDerWaalsContact CG-CD 3.48Å; N33-E36 PolarHBondContact N-OE2 2.99Å; N33-E36 PolarHBondContact ND2-OE1 3.49Å; N33-E36 PolarHBondContact ND2-OE2 3.01Å; N33-E36 PolarHBondContact O-N 3.25Å; N33-E36 VanDerWaalsContact O-N 3.13Å; N33-E36 WeakPolarHBondContact OD1-CA 3.44Å; N33-E36 WeakPolarHBondContact OD1-CB 3.44Å; N33-E36 WeakPolarHBondContact OD1-CG 3.18Å; N33-E36 PolarHBondContact OD1-N 3.44Å; E36-R39 VanDerWaalsContact CG-NH1 3.33Å; E36-R39 PolarHBondContact O-N 2.96Å; E36-C40 VanDerWaalsContact O-CB 3.29Å; E36-C40 WeakPolarHBondContact O-CB 3.25Å; E36-C40 PolarHBondContact O-N 3.32Å |
| 37 | L | 91.9 | Very high | 83.5 | Confident | 37 Ų | 37 | 89.6 Ų | 89.6 | 19% | 0.194 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 175.2 | -78.3 | 163.5 | 0 | 0 | 0 | 111.3 | P32 N33 K34 C40 L41 L62 L63 E66 | P32-L37 HydrophobicContact CB-CD1 4.48Å; P32-L37 HydrophobicContact CB-CD2 4.48Å; P32-L37 HydrophobicContact CB-CG 4.12Å; P32-L37 HydrophobicContact CG-CD1 4.17Å; P32-L37 HydrophobicContact CG-CD2 4.22Å; P32-L37 HydrophobicContact CG-CG 4.15Å; N33-L37 PolarHBondContact O-N 2.94Å; N33-L37 VanDerWaalsContact O-N 3.11Å; K34-L37 PolarHBondContact O-N 2.93Å; L37-C40 PolarHBondContact O-N 3.04Å; L37-L41 WeakPolarHBondContact O-CB 3.37Å; L37-L41 PolarHBondContact O-N 3.09Å; L37-L62 HydrophobicContact CD2-CD2 3.32Å; L37-L62 HydrophobicContact CG-CD2 4.09Å; L37-L63 HydrophobicContact CD2-CD2 4.11Å; L37-E66 HydrophobicContact CD1-CG 4.24Å; L37-E66 HydrophobicContact CD2-CB 4Å; L37-E66 HydrophobicContact CD2-CG 3.92Å |
| 38 | T | 93.9 | Very high | 86 | Confident | 91 Ų | 91 | 87.1 Ų | 87.1 | 56% | 0.558 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.7 | -39.4 | 178.6 | 53.3 | 0 | 0 | 0 | 0 | 112 | K34 E35 L41 A42 | K34-T38 WeakPolarHBondContact O-CG2 3.46Å; K34-T38 PolarHBondContact O-N 3.42Å; K34-T38 PolarHBondContact O-OG1 3.06Å; K34-T38 VanDerWaalsContact O-OG1 3.14Å; E35-T38 WeakPolarHBondContact CA-OG1 3.49Å; E35-T38 PolarHBondContact O-OG1 3.03Å; E35-T38 VanDerWaalsContact O-OG1 3.11Å; T38-L41 PolarHBondContact O-N 3.11Å; T38-A42 WeakPolarHBondContact O-CB 3.42Å; T38-A42 PolarHBondContact O-N 2.84Å |
| 39 | R | 95.6 | Very high | 88.2 | Confident | 134 Ų | 134 | 86 Ų | 86 | 51% | 0.506 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 172.8 | -173.3 | -171 | -53.6 | 109.5 | 7.2 | 111.4 | E35 E36 L41 A42 D43 | E35-R39 VanDerWaalsContact O-CB 3.29Å; E35-R39 WeakPolarHBondContact O-CB 3.35Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 VanDerWaalsContact O-N 3.1Å; E36-R39 VanDerWaalsContact CG-NH1 3.33Å; E36-R39 PolarHBondContact O-N 2.96Å; R39-L41 VanDerWaalsContact C-N 3.29Å; R39-L41 PolarHBondContact O-N 3.42Å; R39-A42 WeakPolarHBondContact O-CB 3.42Å; R39-A42 PolarHBondContact O-N 3.27Å; R39-A42 VanDerWaalsContact O-N 3.15Å; R39-D43 PolarHBondContact O-N 3.34Å |
| 40 | C | 95.4 | Very high | 90.1 | Very high | 11 Ų | 11 | 85.5 Ų | 85.5 | 7% | 0.074 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.6 | -33.6 | -179.6 | -86 | 0 | 0 | 0 | 0 | 113.1 | E36 L37 V44 C59 L63 | E36-C40 VanDerWaalsContact O-CB 3.29Å; E36-C40 WeakPolarHBondContact O-CB 3.25Å; E36-C40 PolarHBondContact O-N 3.32Å; L37-C40 PolarHBondContact O-N 3.04Å; C40-V44 WeakPolarHBondContact O-CB 3.46Å; C40-V44 VanDerWaalsContact O-CG2 3.31Å; C40-V44 WeakPolarHBondContact O-CG2 3.43Å; C40-V44 PolarHBondContact O-N 3.5Å; C40-C59 WeakPolarHBondContact CA-SG 3.48Å; C40-C59 HydrophobicContact CB-CB 3.34Å; C40-C59 WeakPolarHBondContact CB-SG 3.4Å; C40-C59 WeakPolarHBondContact SG-CA 3.43Å; C40-C59 WeakPolarHBondContact SG-CB 3.5Å; C40-C59 CovalentContact SG-SG 2.06Å; C40-C59 PolarHBondContact SG-SG 3.46Å; C40-L63 HydrophobicContact CB-CG 4.47Å |
| 41 | L | 95.8 | Very high | 91.6 | Very high | 94 Ų | 94 | 84.6 Ų | 84.6 | 49% | 0.492 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 171.4 | -177.1 | 64.1 | 0 | 0 | 0 | 110.9 | L37 T38 R39 D43 V44 V45 L63 | L37-L41 WeakPolarHBondContact O-CB 3.37Å; L37-L41 PolarHBondContact O-N 3.09Å; T38-L41 PolarHBondContact O-N 3.11Å; R39-L41 VanDerWaalsContact C-N 3.29Å; R39-L41 PolarHBondContact O-N 3.42Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 2.92Å; L41-V44 PolarHBondContact O-N 3.36Å; L41-V45 HydrophobicContact CD1-CG2 4.2Å; L41-V45 HydrophobicContact CG-CG2 4.37Å; L41-V45 WeakPolarHBondContact O-CB 3.42Å; L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 3.44Å; L41-L63 HydrophobicContact CB-CD2 4.46Å; L41-L63 HydrophobicContact CD1-CD1 4.37Å |
| 42 | A | 96.9 | Very high | 93 | Very high | 52 Ų | 52 | 79.1 Ų | 79.1 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | T38 R39 V45 M46 | T38-A42 WeakPolarHBondContact O-CB 3.42Å; T38-A42 PolarHBondContact O-N 2.84Å; R39-A42 WeakPolarHBondContact O-CB 3.42Å; R39-A42 PolarHBondContact O-N 3.27Å; R39-A42 VanDerWaalsContact O-N 3.15Å; A42-V45 PolarHBondContact O-N 3.4Å; A42-M46 VanDerWaalsContact O-CB 3.29Å; A42-M46 WeakPolarHBondContact O-CB 3.39Å; A42-M46 PolarHBondContact O-N 2.72Å |
| 43 | D | 95.7 | Very high | 93.8 | Very high | 69 Ų | 69 | 84.4 Ų | 84.4 | 37% | 0.369 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 177.7 | -71.5 | -13.1 | 0 | 0 | 0 | 111.3 | R39 L41 M46 E47 | R39-D43 PolarHBondContact O-N 3.34Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 2.92Å; D43-M46 PolarHBondContact O-N 2.93Å; D43-E47 WeakPolarHBondContact O-CG 3.3Å; D43-E47 PolarHBondContact O-N 3Å |
| 44 | V | 96.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 83.5 Ų | 83.5 | 11% | 0.109 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 178.9 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | C40 L41 M46 E47 V48 A54 C59 L63 | C40-V44 WeakPolarHBondContact O-CB 3.46Å; C40-V44 VanDerWaalsContact O-CG2 3.31Å; C40-V44 WeakPolarHBondContact O-CG2 3.43Å; C40-V44 PolarHBondContact O-N 3.5Å; L41-V44 PolarHBondContact O-N 3.36Å; V44-M46 VanDerWaalsContact C-N 3.32Å; V44-M46 PolarHBondContact O-N 2.88Å; V44-E47 PolarHBondContact O-N 2.9Å; V44-V48 VanDerWaalsContact O-CG2 3.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.47Å; V44-V48 PolarHBondContact O-N 2.95Å; V44-A54 HydrophobicContact CG1-CB 3.71Å; V44-C59 HydrophobicContact CG2-CB 3.92Å; V44-L63 HydrophobicContact CB-CD1 4.18Å; V44-L63 HydrophobicContact CG2-CD1 3.96Å |
| 45 | V | 96.8 | Very high | 94.4 | Very high | 72 Ų | 72 | 80.5 Ų | 80.5 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 174.7 | 168.2 | 0 | 0 | 0 | 0 | 110.2 | L41 A42 E47 V48 L49 | L41-V45 HydrophobicContact CD1-CG2 4.2Å; L41-V45 HydrophobicContact CG-CG2 4.37Å; L41-V45 WeakPolarHBondContact O-CB 3.42Å; L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 3.44Å; A42-V45 PolarHBondContact O-N 3.4Å; V45-E47 PolarHBondContact O-N 2.64Å; V45-V48 PolarHBondContact O-N 2.9Å; V45-L49 HydrophobicContact CG1-CD1 3.83Å; V45-L49 HydrophobicContact CG1-CG 4.33Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 3Å |
| 46 | M | 96.5 | Very high | 94.4 | Very high | 115 Ų | 115 | 87.1 Ų | 87.1 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 176.2 | -170.6 | -177.7 | -54 | 0 | 0 | 111.8 | A42 D43 V44 L49 T50 | A42-M46 VanDerWaalsContact O-CB 3.29Å; A42-M46 WeakPolarHBondContact O-CB 3.39Å; A42-M46 PolarHBondContact O-N 2.72Å; D43-M46 PolarHBondContact O-N 2.93Å; V44-M46 VanDerWaalsContact C-N 3.32Å; V44-M46 PolarHBondContact O-N 2.88Å; M46-L49 PolarHBondContact O-N 3.28Å; M46-T50 HydrophobicContact CG-CG2 4.22Å; M46-T50 VanDerWaalsContact O-CB 3.32Å; M46-T50 WeakPolarHBondContact O-CB 3.32Å; M46-T50 VanDerWaalsContact O-CG2 3.27Å; M46-T50 WeakPolarHBondContact O-CG2 3.35Å; M46-T50 PolarHBondContact O-N 3.28Å; M46-T50 PolarHBondContact O-OG1 3.45Å |
| 47 | E | 95.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 84.8 Ų | 84.8 | 23% | 0.234 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 174.4 | -75.4 | -178.6 | 174.9 | 0 | 0 | 112 | D43 V44 V45 T50 L51 Q55 | D43-E47 WeakPolarHBondContact O-CG 3.3Å; D43-E47 PolarHBondContact O-N 3Å; V44-E47 PolarHBondContact O-N 2.9Å; V45-E47 PolarHBondContact O-N 2.64Å; E47-T50 PolarHBondContact O-N 3.04Å; E47-T50 PolarHBondContact O-OG1 3.49Å; E47-L51 WeakPolarHBondContact O-CA 3.37Å; E47-L51 VanDerWaalsContact O-CB 3.24Å; E47-L51 WeakPolarHBondContact O-CB 3.36Å; E47-L51 PolarHBondContact O-N 3.31Å; E47-Q55 WeakPolarHBondContact OE2-CB 3.46Å; E47-Q55 PolarHBondContact OE2-N 3.09Å |
| 48 | V | 96.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 88.6 Ų | 88.6 | 39% | 0.394 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 111 | V44 V45 T50 G52 A54 | V44-V48 VanDerWaalsContact O-CG2 3.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.47Å; V44-V48 PolarHBondContact O-N 2.95Å; V45-V48 PolarHBondContact O-N 2.9Å; V48-T50 PolarHBondContact O-N 3.39Å; V48-G52 CarbonylContact O-C 3.54Å; V48-G52 WeakPolarHBondContact O-CA 3.48Å; V48-G52 PolarHBondContact O-N 3.45Å; V48-A54 HydrophobicContact CG2-CB 3.88Å |
| 49 | L | 96.5 | Very high | 94.3 | Very high | 142 Ų | 142 | 85.3 Ų | 85.3 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.5 | -33.7 | 179.5 | -69.4 | 173.9 | 0 | 0 | 0 | 112.7 | V45 M46 | V45-L49 HydrophobicContact CG1-CD1 3.83Å; V45-L49 HydrophobicContact CG1-CG 4.33Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 3Å; M46-L49 PolarHBondContact O-N 3.28Å |
| 50 | T | 95.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 81 Ų | 81 | 61% | 0.607 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -91 | -35.2 | -176.1 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | M46 E47 V48 | M46-T50 HydrophobicContact CG-CG2 4.22Å; M46-T50 VanDerWaalsContact O-CB 3.32Å; M46-T50 WeakPolarHBondContact O-CB 3.32Å; M46-T50 VanDerWaalsContact O-CG2 3.27Å; M46-T50 WeakPolarHBondContact O-CG2 3.35Å; M46-T50 PolarHBondContact O-N 3.28Å; M46-T50 PolarHBondContact O-OG1 3.45Å; E47-T50 PolarHBondContact O-N 3.04Å; E47-T50 PolarHBondContact O-OG1 3.49Å; V48-T50 PolarHBondContact O-N 3.39Å |
| 51 | L | 95 | Very high | 94.1 | Very high | 94 Ų | 94 | 83.3 Ų | 83.3 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -113.7 | -5.2 | -173.6 | -55.3 | 174.4 | 0 | 0 | 0 | 113.2 | E47 Q53 Q55 | E47-L51 WeakPolarHBondContact O-CA 3.37Å; E47-L51 VanDerWaalsContact O-CB 3.24Å; E47-L51 WeakPolarHBondContact O-CB 3.36Å; E47-L51 PolarHBondContact O-N 3.31Å; L51-Q53 PolarHBondContact O-N 3.08Å; L51-Q55 HydrophobicContact CD1-CG 4.09Å; L51-Q55 VanDerWaalsContact CD1-NE2 3.28Å |
| 52 | G | 94.2 | Very high | 93.9 | Very high | 65 Ų | 65 | 81.1 Ų | 81.1 | 67% | 0.67 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 77.9 | -2.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V48 | V48-G52 CarbonylContact O-C 3.54Å; V48-G52 WeakPolarHBondContact O-CA 3.48Å; V48-G52 PolarHBondContact O-N 3.45Å |
| 53 | Q | 90.1 | Very high | 93.6 | Very high | 138 Ų | 138 | 79.9 Ų | 79.9 | 65% | 0.645 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -157.2 | 151.2 | -178.6 | 64.4 | -164.5 | -35 | 0 | 0 | 111.6 | L51 | L51-Q53 PolarHBondContact O-N 3.08Š|
| 54 | A | 89.7 | Confident | 93.3 | Very high | 45 Ų | 45 | 81.2 Ų | 81.2 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | trans | -74 | 128.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V44 V48 | V44-A54 HydrophobicContact CG1-CB 3.71Å; V48-A54 HydrophobicContact CG2-CB 3.88Å | ||
| 55 | Q | 90.8 | Very high | 92.8 | Very high | 105 Ų | 105 | 84 Ų | 84 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | trans | -74 | 153.1 | 174.9 | -66.6 | -168.4 | 72.9 | 0 | 0 | 110.6 | E47 L51 G57 T60 | E47-Q55 WeakPolarHBondContact OE2-CB 3.46Å; E47-Q55 PolarHBondContact OE2-N 3.09Å; L51-Q55 HydrophobicContact CD1-CG 4.09Å; L51-Q55 VanDerWaalsContact CD1-NE2 3.28Å; Q55-G57 PolarHBondContact O-N 2.93Å; Q55-T60 WeakPolarHBondContact O-CB 3.43Å; Q55-T60 PolarHBondContact O-OG1 3.44Å | ||
| 56 | R | 90.8 | Very high | 92.4 | Very high | 260 Ų | 260 | 83 Ų | 83 | 98% | 0.981 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -78.1 | 79.2 | 175.4 | -161.7 | 170.9 | -172 | 142 | 2.1 | 109.5 | ||
| 57 | G | 91.3 | Very high | 91.7 | Very high | 25 Ų | 25 | 81.6 Ų | 81.6 | 26% | 0.258 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -121.9 | -179 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q55 C59 T60 A61 | Q55-G57 PolarHBondContact O-N 2.93Å; G57-C59 VanDerWaalsContact C-N 3.3Å; G57-C59 PolarHBondContact O-N 2.94Å; G57-T60 PolarHBondContact O-N 3.28Å; G57-A61 WeakPolarHBondContact O-CB 3.43Å; G57-A61 PolarHBondContact O-N 3.01Å |
| 58 | P | 91.6 | Very high | 90.7 | Very high | 116 Ų | 116 | 83.4 Ų | 83.4 | 75% | 0.753 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58.4 | -38.7 | 179.7 | -24.2 | 34.3 | 0 | 0 | 0 | 113.3 | A61 L62 | P58-A61 PolarHBondContact O-N 3.21Å; P58-L62 VanDerWaalsContact O-CB 3.26Å; P58-L62 WeakPolarHBondContact O-CB 3.38Å; P58-L62 PolarHBondContact O-N 3.32Å |
| 59 | C | 93 | Very high | 89.4 | Confident | 23 Ų | 23 | 86.7 Ų | 86.7 | 16% | 0.155 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 179.4 | -77.6 | 0 | 0 | 0 | 0 | 112.8 | C40 V44 G57 A61 L62 L63 | C40-C59 WeakPolarHBondContact CA-SG 3.48Å; C40-C59 HydrophobicContact CB-CB 3.34Å; C40-C59 WeakPolarHBondContact CB-SG 3.4Å; C40-C59 WeakPolarHBondContact SG-CA 3.43Å; C40-C59 WeakPolarHBondContact SG-CB 3.5Å; C40-C59 CovalentContact SG-SG 2.06Å; C40-C59 PolarHBondContact SG-SG 3.46Å; V44-C59 HydrophobicContact CG2-CB 3.92Å; G57-C59 VanDerWaalsContact C-N 3.3Å; G57-C59 PolarHBondContact O-N 2.94Å; C59-A61 VanDerWaalsContact C-N 3.33Å; C59-A61 PolarHBondContact O-N 2.99Å; C59-L62 PolarHBondContact O-N 3.06Å; C59-L63 WeakPolarHBondContact O-CB 3.36Å; C59-L63 VanDerWaalsContact O-CG 3.29Å; C59-L63 WeakPolarHBondContact O-CG 3.49Å; C59-L63 PolarHBondContact O-N 3.41Å |
| 60 | T | 93.7 | Very high | 88 | Confident | 42 Ų | 42 | 84.5 Ų | 84.5 | 26% | 0.258 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 172.5 | -47.6 | 0 | 0 | 0 | 0 | 111.6 | Q55 G57 H64 | Q55-T60 WeakPolarHBondContact O-CB 3.43Å; Q55-T60 PolarHBondContact O-OG1 3.44Å; G57-T60 PolarHBondContact O-N 3.28Å; T60-H64 WeakPolarHBondContact O-CB 3.32Å; T60-H64 PolarHBondContact O-N 3.06Å |
| 61 | A | 92.3 | Very high | 86.2 | Confident | 61 Ų | 61 | 85.1 Ų | 85.1 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | G57 P58 C59 H64 K65 | G57-A61 WeakPolarHBondContact O-CB 3.43Å; G57-A61 PolarHBondContact O-N 3.01Å; P58-A61 PolarHBondContact O-N 3.21Å; C59-A61 VanDerWaalsContact C-N 3.33Å; C59-A61 PolarHBondContact O-N 2.99Å; A61-H64 PolarHBondContact O-N 3.12Å; A61-K65 WeakPolarHBondContact O-CB 3.28Å; A61-K65 PolarHBondContact O-N 3.37Å |
| 62 | L | 91.6 | Very high | 84.3 | Confident | 47 Ų | 47 | 86 Ų | 86 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 178.1 | -171.9 | 160.8 | 0 | 0 | 0 | 110.9 | P32 L37 P58 C59 K65 E66 | P32-L62 HydrophobicContact CB-CD1 4.11Å; P32-L62 HydrophobicContact CB-CD2 3.85Å; P32-L62 HydrophobicContact CB-CG 4.18Å; P32-L62 HydrophobicContact CG-CD2 4.1Å; L37-L62 HydrophobicContact CD2-CD2 3.32Å; L37-L62 HydrophobicContact CG-CD2 4.09Å; P58-L62 VanDerWaalsContact O-CB 3.26Å; P58-L62 WeakPolarHBondContact O-CB 3.38Å; P58-L62 PolarHBondContact O-N 3.32Å; C59-L62 PolarHBondContact O-N 3.06Å; L62-K65 PolarHBondContact O-N 3.47Å; L62-E66 PolarHBondContact O-N 3.05Å |
| 63 | L | 90.6 | Very high | 82.5 | Confident | 26 Ų | 26 | 91 Ų | 91 | 14% | 0.136 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.4 | -68.7 | 171.4 | 0 | 0 | 0 | 111.3 | L37 C40 L41 V44 C59 K65 E66 I67 | L37-L63 HydrophobicContact CD2-CD2 4.11Å; C40-L63 HydrophobicContact CB-CG 4.47Å; L41-L63 HydrophobicContact CB-CD2 4.46Å; L41-L63 HydrophobicContact CD1-CD1 4.37Å; V44-L63 HydrophobicContact CB-CD1 4.18Å; V44-L63 HydrophobicContact CG2-CD1 3.96Å; C59-L63 WeakPolarHBondContact O-CB 3.36Å; C59-L63 VanDerWaalsContact O-CG 3.29Å; C59-L63 WeakPolarHBondContact O-CG 3.49Å; C59-L63 PolarHBondContact O-N 3.41Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.31Å; L63-E66 PolarHBondContact O-N 2.93Å; L63-I67 HydrophobicContact CB-CD1 4.31Å; L63-I67 VanDerWaalsContact O-CB 3.32Å; L63-I67 WeakPolarHBondContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CD1 3.46Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3Å |
| 64 | H | 89.5 | Confident | 80.9 | Confident | 97 Ų | 97 | 85.8 Ų | 85.8 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 176.2 | -177.9 | -77.1 | 0 | 0 | 0 | 111.8 | T60 A61 F68 | T60-H64 WeakPolarHBondContact O-CB 3.32Å; T60-H64 PolarHBondContact O-N 3.06Å; A61-H64 PolarHBondContact O-N 3.12Å; H64-F68 HydrophobicContact CB-CD2 4.32Å; H64-F68 AromaticContact CD2-CD2 3.39Å; H64-F68 WeakPolarHBondContact CD2-CD2 3.22Å; H64-F68 AromaticContact CD2-CE2 3.68Å; H64-F68 AromaticContact CG-CD2 3.7Å; H64-F68 AromaticContact NE2-CD2 3.65Å; H64-F68 WeakPolarHBondContact O-CB 3.43Å; H64-F68 WeakPolarHBondContact O-CD2 3.48Å; H64-F68 PolarHBondContact O-N 3.05Å |
| 65 | K | 87.6 | Confident | 79.1 | Confident | 78 Ų | 78 | 89.7 Ų | 89.7 | 34% | 0.339 | 47% | 0.467 | S | S | . | . | I | π-helix | trans | -63.7 | -45 | 176.9 | -177.1 | 169.3 | -163.3 | 178.4 | 0 | 112.2 | E29 A61 L62 L63 E69 R70 | E29-K65 IonicContact OE1-NZ 3.88Å; E29-K65 PolarHBondContact OE1-NZ 3Å; E29-K65 WeakPolarHBondContact OE2-CE 3.49Å; E29-K65 IonicContact OE2-NZ 3.96Å; E29-K65 PolarHBondContact OE2-NZ 3.45Å; A61-K65 WeakPolarHBondContact O-CB 3.28Å; A61-K65 PolarHBondContact O-N 3.37Å; L62-K65 PolarHBondContact O-N 3.47Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.31Å; K65-E69 HydrophobicContact CG-CB 4.36Å; K65-E69 HydrophobicContact CG-CG 4.5Å; K65-E69 WeakPolarHBondContact CG-OE2 3.27Å; K65-E69 WeakPolarHBondContact O-CA 3.23Å; K65-E69 VanDerWaalsContact O-CB 3.28Å; K65-E69 WeakPolarHBondContact O-CB 3.42Å; K65-E69 PolarHBondContact O-N 3.15Å; K65-E69 VanDerWaalsContact O-N 3.09Å; K65-R70 PolarHBondContact O-N 2.98Å |
| 66 | E | 86.9 | Confident | 77.1 | Confident | 51 Ų | 51 | 89.1 Ų | 89.1 | 24% | 0.238 | 47% | 0.471 | C | S | . | . | I | π-helix | trans | -70 | -35.9 | -179.1 | -167.5 | 65.7 | -164.4 | 0 | 0 | 111.9 | L37 L62 L63 R70 | L37-E66 HydrophobicContact CD1-CG 4.24Å; L37-E66 HydrophobicContact CD2-CB 4Å; L37-E66 HydrophobicContact CD2-CG 3.92Å; L62-E66 PolarHBondContact O-N 3.05Å; L63-E66 PolarHBondContact O-N 2.93Å; E66-R70 VanDerWaalsContact CD-CD 3.49Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 WeakPolarHBondContact OE1-CD 3.36Å; E66-R70 IonicContact OE1-NE 3.27Å; E66-R70 IonicContact OE1-NH1 2.64Å; E66-R70 WeakPolarHBondContact OE2-CD 3.47Å; E66-R70 IonicContact OE2-NH1 3.98Å; E66-R70 PolarHBondContact OE2-NH1 3.31Å; E66-R70 VanDerWaalsContact OE2-NH1 3.09Å |
| 67 | I | 81.9 | Confident | 75 | Confident | 85 Ų | 85 | 80.3 Ų | 80.3 | 44% | 0.436 | 45% | 0.449 | S | S | . | . | I | π-helix | trans | -78.5 | -54.4 | 179.4 | -62.4 | 164.1 | 0 | 0 | 0 | 111.1 | L63 E71 | L63-I67 HydrophobicContact CB-CD1 4.31Å; L63-I67 VanDerWaalsContact O-CB 3.32Å; L63-I67 WeakPolarHBondContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CD1 3.46Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3Å; I67-E71 WeakPolarHBondContact O-CB 3.4Å |
| 68 | F | 75.9 | Confident | 73 | Confident | 87 Ų | 87 | 85.1 Ų | 85.1 | 38% | 0.382 | 47% | 0.468 | S | S | . | . | I | π-helix | trans | -92.1 | -28.1 | -168.8 | -65.4 | -81.9 | 0 | 0 | 0 | 114.8 | H64 | H64-F68 HydrophobicContact CB-CD2 4.32Å; H64-F68 AromaticContact CD2-CD2 3.39Å; H64-F68 WeakPolarHBondContact CD2-CD2 3.22Å; H64-F68 AromaticContact CD2-CE2 3.68Å; H64-F68 AromaticContact CG-CD2 3.7Å; H64-F68 AromaticContact NE2-CD2 3.65Å; H64-F68 WeakPolarHBondContact O-CB 3.43Å; H64-F68 WeakPolarHBondContact O-CD2 3.48Å; H64-F68 PolarHBondContact O-N 3.05Å |
| 69 | E | 69.2 | Low | 71 | Confident | 135 Ų | 135 | 87.1 Ų | 87.1 | 63% | 0.631 | 47% | 0.467 | S | S | * | . | I | π-helix | trans | -96 | -21.7 | -177.2 | -57.3 | -177.6 | -175.8 | 0 | 0 | 112.5 | K65 | K65-E69 HydrophobicContact CG-CB 4.36Å; K65-E69 HydrophobicContact CG-CG 4.5Å; K65-E69 WeakPolarHBondContact CG-OE2 3.27Å; K65-E69 WeakPolarHBondContact O-CA 3.23Å; K65-E69 VanDerWaalsContact O-CB 3.28Å; K65-E69 WeakPolarHBondContact O-CB 3.42Å; K65-E69 PolarHBondContact O-N 3.15Å; K65-E69 VanDerWaalsContact O-N 3.09Å |
| 70 | R | 66.4 | Low | 69.1 | Low | 95 Ų | 95 | 93 Ų | 93 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -25.6 | -175.9 | -155.9 | -174.9 | -156.8 | 115.7 | 18.3 | 114.4 | R31 K65 E66 P72 | R31-R70 VanDerWaalsContact CG-NH1 3.29Å; R31-R70 VanDerWaalsContact CG-NH2 3.31Å; R31-R70 VanDerWaalsContact CZ-CZ 3.48Å; K65-R70 PolarHBondContact O-N 2.98Å; E66-R70 VanDerWaalsContact CD-CD 3.49Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 WeakPolarHBondContact OE1-CD 3.36Å; E66-R70 IonicContact OE1-NE 3.27Å; E66-R70 IonicContact OE1-NH1 2.64Å; E66-R70 WeakPolarHBondContact OE2-CD 3.47Å; E66-R70 IonicContact OE2-NH1 3.98Å; E66-R70 PolarHBondContact OE2-NH1 3.31Å; E66-R70 VanDerWaalsContact OE2-NH1 3.09Å; R70-P72 VanDerWaalsContact O-CD 3.28Å; R70-P72 WeakPolarHBondContact O-CD 3.44Å |
| 71 | E | 58.9 | Low | 67.3 | Low | 113 Ų | 113 | 99.2 Ų | 99.2 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | trans | -79.6 | 114.3 | 174.6 | -166.5 | 167.6 | -167.7 | 0 | 0 | 109.5 | I67 H73 | I67-E71 WeakPolarHBondContact O-CB 3.4Å; E71-H73 PolarHBondContact O-N 3.3Å | ||
| 72 | P | 55.3 | Low | 65.3 | Low | 111 Ų | 111 | 105.8 Ų | 105.8 | 72% | 0.721 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -1.3 | -172.4 | 24.6 | -27.5 | 0 | 0 | 0 | 113.7 | R70 | R70-P72 VanDerWaalsContact O-CD 3.28Å; R70-P72 WeakPolarHBondContact O-CD 3.44Å |
| 73 | H | 56.2 | Low | 63.4 | Low | 171 Ų | 171 | 110.5 Ų | 110.5 | 79% | 0.792 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.1 | 48.3 | -172.6 | -60.7 | 75.3 | 0 | 0 | 0 | 112.7 | E71 | E71-H73 PolarHBondContact O-N 3.3Š|
| 74 | G | 56.4 | Low | 61.6 | Low | 29 Ų | 29 | 117.2 Ų | 117.2 | 30% | 0.299 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -138 | 102 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V76 | G74-V76 PolarHBondContact O-N 3Š|
| 75 | C | 52.2 | Low | 59.7 | Low | 126 Ų | 126 | 115.7 Ų | 115.7 | 85% | 0.851 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 41.7 | 63.6 | 159.6 | -79.9 | 0 | 0 | 0 | 0 | 119.7 | ||
| 76 | V | 47.3 | Very low | 57.5 | Low | 94 Ų | 94 | 114.3 Ų | 114.3 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | trans | -134 | 121.2 | 147.7 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | G74 L78 | G74-V76 PolarHBondContact O-N 3Å; V76-L78 PolarHBondContact O-N 3.47Å | ||
| 77 | S | 47.3 | Very low | 55.7 | Low | 75 Ų | 75 | 119.7 Ų | 119.7 | 52% | 0.524 | 64% | 0.637 | S | S | . | * | trans | -61.5 | 130.1 | 176 | 84.2 | 0 | 0 | 0 | 0 | 109 | E79 | S77-E79 PolarHBondContact O-N 2.75Š| ||
| 78 | L | 49 | Very low | 53.7 | Low | 125 Ų | 125 | 125 Ų | 125 | 65% | 0.654 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -6.1 | 173 | -167.4 | 79 | 0 | 0 | 0 | 112.1 | V76 | V76-L78 PolarHBondContact O-N 3.47Š|
| 79 | E | 49.7 | Very low | 52.6 | Low | 158 Ų | 158 | 127.1 Ų | 127.1 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -34.4 | -169.5 | -157.1 | 123.5 | -162 | 0 | 0 | 112.5 | S77 | S77-E79 PolarHBondContact O-N 2.75Š|
| 80 | E | 53.8 | Low | 51.8 | Low | 148 Ų | 148 | 130.3 Ų | 130.3 | 69% | 0.692 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -80.8 | -23.8 | -174.8 | -149.9 | 175.9 | 165.3 | 0 | 0 | 113.2 | ||
| 81 | K | 54.3 | Low | 51 | Low | 172 Ų | 172 | 135 Ų | 135 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -81.5 | -13.1 | -179.4 | -73 | 177.6 | 179.7 | 173.6 | 0 | 114.1 | ||
| 82 | R | 50.3 | Low | 50.2 | Low | 199 Ų | 199 | 138.6 Ų | 138.6 | 75% | 0.751 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -88.2 | -13.5 | 175.3 | -69.6 | -162.5 | -162.2 | -154.1 | 7.3 | 114.2 | ||
| 83 | L | 53.3 | Low | 50.2 | Low | 145 Ų | 145 | 138.1 Ų | 138.1 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -83.1 | -14 | -178.4 | -67.6 | 172.7 | 0 | 0 | 0 | 113.7 | ||
| 84 | L | 52.8 | Low | 49.7 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -105 | 2 | -178.8 | -63 | 176.2 | 0 | 0 | 0 | 114.1 | ||
| 85 | G | 49.7 | Very low | 49.3 | Very low | 66 Ų | 66 | 141.2 Ų | 141.2 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | -111.1 | 45.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 86 | G | 41.6 | Very low | 49 | Very low | 49 Ų | 49 | 144.5 Ų | 144.5 | 51% | 0.505 | 77% | 0.765 | S | S | . | * | trans | -92.2 | 91.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F88 | G86-F88 WeakPolarHBondContact O-CD2 3.42Å; G86-F88 PolarHBondContact O-N 3.35Å | ||
| 87 | D | 47.5 | Very low | 49.4 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -69.6 | 93.2 | 163.4 | -101.7 | -21.4 | 0 | 0 | 0 | 109.3 | T89 | D87-T89 PolarHBondContact O-N 2.94Å; D87-T89 VanDerWaalsContact O-N 3.15Å | ||
| 88 | F | 41.5 | Very low | 49.5 | Very low | 197 Ų | 197 | 150.8 Ų | 150.8 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -83.1 | 82.5 | 173.8 | -74.4 | -83.9 | 0 | 0 | 0 | 111 | G86 | G86-F88 WeakPolarHBondContact O-CD2 3.42Å; G86-F88 PolarHBondContact O-N 3.35Å | ||
| 89 | T | 52.8 | Low | 49.7 | Very low | 131 Ų | 131 | 149 Ų | 149 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -133.2 | 80.3 | 153.7 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | D87 | D87-T89 PolarHBondContact O-N 2.94Å; D87-T89 VanDerWaalsContact O-N 3.15Å | ||
| 90 | K | 51.8 | Low | 49.8 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -154.4 | 102.6 | 147 | -126.9 | 175.5 | 179.2 | -175.4 | 0 | 110.7 | E92 | K90-E92 PolarHBondContact O-N 3.11Š| ||
| 91 | Q | 50.3 | Low | 49.5 | Very low | 193 Ų | 193 | 147 Ų | 147 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -60.4 | 108.4 | 161.8 | 177.5 | -177.8 | 7.7 | 0 | 0 | 108.2 | ||||
| 92 | E | 42 | Very low | 49.4 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | -111.2 | 109 | 166.5 | -152.7 | 167.4 | -150.3 | 0 | 0 | 108.8 | K90 G94 | K90-E92 PolarHBondContact O-N 3.11Å; E92-G94 PolarHBondContact O-N 3.49Å | ||
| 93 | A | 53.5 | Low | 49.6 | Very low | 100 Ų | 100 | 142 Ų | 142 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -70.6 | 115.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 94 | G | 47.6 | Very low | 49.6 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -177.8 | 84.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | E92 | E92-G94 PolarHBondContact O-N 3.49Š| ||
| 95 | K | 47.6 | Very low | 49.9 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | trans | 65.6 | 87.8 | 154.1 | -153.5 | 161.5 | -177.4 | 173.7 | 0 | 116 | R97 | K95-R97 PolarHBondContact O-N 3.08Š| ||
| 96 | M | 45 | Very low | 50.2 | Low | 195 Ų | 195 | 141 Ų | 141 | 96% | 0.961 | 72% | 0.721 | S | S | * | * | trans | -52.2 | 103.5 | 162.4 | -74 | 152.2 | 72.8 | 0 | 0 | 110.2 | ||||
| 97 | R | 55.7 | Low | 51 | Low | 219 Ų | 219 | 141.5 Ų | 141.5 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | trans | -84.5 | 139.9 | 147.8 | -81.7 | -176 | 172.9 | 143.4 | -4.6 | 107.5 | K95 S99 | K95-R97 PolarHBondContact O-N 3.08Å; R97-S99 PolarHBondContact O-N 3.26Å | ||
| 98 | S | 49.4 | Very low | 51.7 | Low | 83 Ų | 83 | 141 Ų | 141 | 58% | 0.58 | 71% | 0.714 | S | S | * | * | trans | -56.6 | 127.7 | -171 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | H100 E101 | S98-H100 PolarHBondContact O-N 3.45Å; S98-E101 PolarHBondContact O-N 2.97Å | ||
| 99 | S | 52.7 | Low | 52.5 | Low | 87 Ų | 87 | 135.5 Ų | 135.5 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 5.2 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 114.8 | R97 R103 | R97-S99 PolarHBondContact O-N 3.26Å; S99-R103 PolarHBondContact O-NH2 2.69Å; S99-R103 VanDerWaalsContact O-NH2 3.11Å |
| 100 | H | 53.5 | Low | 53 | Low | 114 Ų | 114 | 131.6 Ų | 131.6 | 53% | 0.528 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | -38.2 | 177.7 | -161.5 | 15.2 | 0 | 0 | 0 | 112.4 | S98 I102 R103 D104 | S98-H100 PolarHBondContact O-N 3.45Å; H100-I102 PolarHBondContact O-N 3.46Å; H100-R103 PolarHBondContact O-N 3.19Å; H100-D104 IonicContact CE1-OD1 2.79Å; H100-D104 IonicContact CE1-OD2 2.62Å; H100-D104 IonicContact ND1-OD1 3.61Å; H100-D104 IonicContact ND1-OD2 3.86Å; H100-D104 PolarHBondContact O-N 2.98Å |
| 101 | E | 46.9 | Very low | 53.6 | Low | 150 Ų | 150 | 124.7 Ų | 124.7 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -77.2 | -21.6 | -171.4 | -155.7 | 175.1 | -171.8 | 0 | 0 | 113.5 | S98 | S98-E101 PolarHBondContact O-N 2.97Å |
| 102 | I | 52.3 | Low | 54.2 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 60% | 0.6 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -78.2 | -34.9 | 175.6 | -58.7 | 176.9 | 0 | 0 | 0 | 110.9 | H100 E106 | H100-I102 PolarHBondContact O-N 3.46Å; I102-E106 WeakPolarHBondContact O-CB 3.5Å; I102-E106 PolarHBondContact O-N 3.42Å; I102-E106 VanDerWaalsContact O-N 3.09Å |
| 103 | R | 53.6 | Low | 55.2 | Low | 149 Ų | 149 | 118.3 Ų | 118.3 | 56% | 0.562 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.3 | -37.3 | -174.3 | -164.2 | -173.5 | -35.3 | -172.2 | 6.5 | 112.8 | S99 H100 A107 | S99-R103 PolarHBondContact O-NH2 2.69Å; S99-R103 VanDerWaalsContact O-NH2 3.11Å; H100-R103 PolarHBondContact O-N 3.19Å; R103-A107 WeakPolarHBondContact O-CB 3.38Å; R103-A107 PolarHBondContact O-N 3.44Å |
| 104 | D | 54 | Low | 56.1 | Low | 86 Ų | 86 | 118 Ų | 118 | 46% | 0.46 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.7 | -33.3 | -179.8 | -62.2 | -15.7 | 0 | 0 | 0 | 110.9 | H100 E108 | H100-D104 IonicContact CE1-OD1 2.79Å; H100-D104 IonicContact CE1-OD2 2.62Å; H100-D104 IonicContact ND1-OD1 3.61Å; H100-D104 IonicContact ND1-OD2 3.86Å; H100-D104 PolarHBondContact O-N 2.98Å; D104-E108 PolarHBondContact O-N 3.38Å |
| 105 | K | 57.8 | Low | 57.4 | Low | 139 Ų | 139 | 120.7 Ų | 120.7 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.3 | -38.5 | 176.4 | -150.6 | 170.2 | -175.4 | 173.2 | 0 | 112.5 | E109 | K105-E109 WeakPolarHBondContact O-CG 3.48Å; K105-E109 PolarHBondContact O-N 3.04Å |
| 106 | E | 57.5 | Low | 58.5 | Low | 131 Ų | 131 | 117.5 Ų | 117.5 | 61% | 0.612 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.8 | -36.7 | 174.6 | -170.1 | 175.3 | -177.4 | 0 | 0 | 112 | I102 A110 | I102-E106 WeakPolarHBondContact O-CB 3.5Å; I102-E106 PolarHBondContact O-N 3.42Å; I102-E106 VanDerWaalsContact O-N 3.09Å; E106-A110 VanDerWaalsContact O-CB 3.31Å; E106-A110 WeakPolarHBondContact O-CB 3.25Å; E106-A110 PolarHBondContact O-N 3.37Å |
| 107 | A | 58.8 | Low | 59.6 | Low | 61 Ų | 61 | 111.3 Ų | 111.3 | 50% | 0.504 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.1 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R103 A110 A111 | R103-A107 WeakPolarHBondContact O-CB 3.38Å; R103-A107 PolarHBondContact O-N 3.44Å; A107-A110 PolarHBondContact O-N 2.95Å; A107-A111 PolarHBondContact O-N 2.98Å |
| 108 | E | 60.6 | Low | 60.7 | Low | 153 Ų | 153 | 107.1 Ų | 107.1 | 72% | 0.715 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 173.4 | -82.2 | -157 | 148.2 | 0 | 0 | 111.9 | D104 A110 A111 E112 | D104-E108 PolarHBondContact O-N 3.38Å; E108-A110 VanDerWaalsContact C-N 3.33Å; E108-A110 PolarHBondContact O-N 3.06Å; E108-A111 PolarHBondContact O-N 3.19Å; E108-E112 PolarHBondContact O-N 3.35Å |
| 109 | E | 59.2 | Low | 62.1 | Low | 82 Ų | 82 | 107.4 Ų | 107.4 | 38% | 0.383 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.6 | -30.5 | 177.4 | -70.4 | -173 | -169.2 | 0 | 0 | 112.9 | K105 R113 | K105-E109 WeakPolarHBondContact O-CG 3.48Å; K105-E109 PolarHBondContact O-N 3.04Å; E109-R113 VanDerWaalsContact CB-NH1 3.28Å; E109-R113 WeakPolarHBondContact O-CB 3.33Å; E109-R113 VanDerWaalsContact O-CG 3.27Å; E109-R113 WeakPolarHBondContact O-CG 3.44Å; E109-R113 PolarHBondContact O-N 2.89Å; E109-R113 PolarHBondContact O-NH1 2.96Å; E109-R113 IonicContact OE2-CZ 3.5Å; E109-R113 IonicContact OE2-NH1 3.52Å; E109-R113 PolarHBondContact OE2-NH1 3.42Å; E109-R113 IonicContact OE2-NH2 3.94Å; E109-R113 PolarHBondContact OE2-NH2 3.29Å |
| 110 | A | 62.4 | Low | 63.6 | Low | 49 Ų | 49 | 109.4 Ų | 109.4 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E106 A107 E108 R113 T114 | E106-A110 VanDerWaalsContact O-CB 3.31Å; E106-A110 WeakPolarHBondContact O-CB 3.25Å; E106-A110 PolarHBondContact O-N 3.37Å; A107-A110 PolarHBondContact O-N 2.95Å; E108-A110 VanDerWaalsContact C-N 3.33Å; E108-A110 PolarHBondContact O-N 3.06Å; A110-R113 PolarHBondContact O-N 3.29Å; A110-T114 WeakPolarHBondContact O-CG2 3.43Å; A110-T114 PolarHBondContact O-N 2.94Å; A110-T114 PolarHBondContact O-OG1 3.42Å |
| 111 | A | 64.8 | Low | 65 | Low | 55 Ų | 55 | 110.5 Ų | 110.5 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A107 E108 T114 Q115 | A107-A111 PolarHBondContact O-N 2.98Å; E108-A111 PolarHBondContact O-N 3.19Å; A111-T114 WeakPolarHBondContact CA-OG1 3.34Å; A111-T114 PolarHBondContact O-OG1 2.92Å; A111-Q115 WeakPolarHBondContact O-CB 3.15Å; A111-Q115 PolarHBondContact O-N 3.13Å |
| 112 | E | 64 | Low | 66.8 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.5 | -37.5 | 175.6 | -164.8 | -173.8 | 157 | 0 | 0 | 111.8 | E108 K116 | E108-E112 PolarHBondContact O-N 3.35Å; E112-K116 WeakPolarHBondContact O-CB 3.28Å; E112-K116 WeakPolarHBondContact O-CG 3.33Å; E112-K116 PolarHBondContact O-N 3.35Å; E112-K116 VanDerWaalsContact OE1-CE 3.23Å; E112-K116 WeakPolarHBondContact OE1-CE 3.38Å; E112-K116 IonicContact OE1-NZ 2.64Å; E112-K116 PolarHBondContact OE1-NZ 2.96Å |
| 113 | R | 62.3 | Low | 68.5 | Low | 152 Ų | 152 | 106.7 Ų | 106.7 | 57% | 0.574 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | 174.9 | -75.4 | -179.2 | -169.4 | 97.7 | 6.2 | 112.1 | E109 A110 K116 S117 | E109-R113 VanDerWaalsContact CB-NH1 3.28Å; E109-R113 WeakPolarHBondContact O-CB 3.33Å; E109-R113 VanDerWaalsContact O-CG 3.27Å; E109-R113 WeakPolarHBondContact O-CG 3.44Å; E109-R113 PolarHBondContact O-N 2.89Å; E109-R113 PolarHBondContact O-NH1 2.96Å; E109-R113 IonicContact OE2-CZ 3.5Å; E109-R113 IonicContact OE2-NH1 3.52Å; E109-R113 PolarHBondContact OE2-NH1 3.42Å; E109-R113 IonicContact OE2-NH2 3.94Å; E109-R113 PolarHBondContact OE2-NH2 3.29Å; A110-R113 PolarHBondContact O-N 3.29Å; R113-K116 PolarHBondContact O-N 3.33Å; R113-S117 WeakPolarHBondContact O-CB 3.43Å; R113-S117 PolarHBondContact O-N 2.87Å |
| 114 | T | 71.4 | Confident | 70.2 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 57% | 0.571 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.8 | -41.3 | 176 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | A110 A111 K116 S117 E118 | A110-T114 WeakPolarHBondContact O-CG2 3.43Å; A110-T114 PolarHBondContact O-N 2.94Å; A110-T114 PolarHBondContact O-OG1 3.42Å; A111-T114 WeakPolarHBondContact CA-OG1 3.34Å; A111-T114 PolarHBondContact O-OG1 2.92Å; T114-K116 PolarHBondContact O-N 3.07Å; T114-S117 PolarHBondContact O-N 3.41Å; T114-E118 WeakPolarHBondContact O-CB 3.35Å; T114-E118 PolarHBondContact O-N 3.37Å |
| 115 | Q | 76.6 | Confident | 72 | Confident | 127 Ų | 127 | 105.5 Ų | 105.5 | 59% | 0.593 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | 177.2 | -172.9 | -177.7 | 16.6 | 0 | 0 | 111.9 | A111 V119 | A111-Q115 WeakPolarHBondContact O-CB 3.15Å; A111-Q115 PolarHBondContact O-N 3.13Å; Q115-V119 VanDerWaalsContact O-CG2 3.25Å; Q115-V119 WeakPolarHBondContact O-CG2 3.42Å; Q115-V119 PolarHBondContact O-N 2.89Å; Q115-V119 VanDerWaalsContact O-N 3.09Å |
| 116 | K | 70.7 | Confident | 73.4 | Confident | 128 Ų | 128 | 103.1 Ų | 103.1 | 56% | 0.557 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.3 | -39.4 | 175.9 | -75.7 | 175.4 | -176.8 | 168.7 | 0 | 112.3 | E112 R113 T114 Q120 | E112-K116 WeakPolarHBondContact O-CB 3.28Å; E112-K116 WeakPolarHBondContact O-CG 3.33Å; E112-K116 PolarHBondContact O-N 3.35Å; E112-K116 VanDerWaalsContact OE1-CE 3.23Å; E112-K116 WeakPolarHBondContact OE1-CE 3.38Å; E112-K116 IonicContact OE1-NZ 2.64Å; E112-K116 PolarHBondContact OE1-NZ 2.96Å; R113-K116 PolarHBondContact O-N 3.33Å; T114-K116 PolarHBondContact O-N 3.07Å; K116-Q120 WeakPolarHBondContact O-CB 3.49Å; K116-Q120 PolarHBondContact O-N 3.06Å; K116-Q120 VanDerWaalsContact O-N 3.08Å |
| 117 | S | 67.8 | Low | 75 | Confident | 66 Ų | 66 | 103 Ų | 103 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.5 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | R113 T114 Q120 E121 | R113-S117 WeakPolarHBondContact O-CB 3.43Å; R113-S117 PolarHBondContact O-N 2.87Å; T114-S117 PolarHBondContact O-N 3.41Å; S117-Q120 PolarHBondContact O-N 3.36Å; S117-E121 WeakPolarHBondContact O-CB 3.1Å; S117-E121 PolarHBondContact O-N 3.03Å |
| 118 | E | 79.1 | Confident | 76.5 | Confident | 131 Ų | 131 | 105 Ų | 105 | 61% | 0.612 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 179 | -174.6 | 177.7 | 170.9 | 0 | 0 | 111.8 | T114 Q120 E121 Q122 | T114-E118 WeakPolarHBondContact O-CB 3.35Å; T114-E118 PolarHBondContact O-N 3.37Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 3.4Å; E118-E121 PolarHBondContact O-N 3.43Å; E118-Q122 WeakPolarHBondContact O-CB 3.3Å; E118-Q122 PolarHBondContact O-N 3.35Å |
| 119 | V | 78.7 | Confident | 77.8 | Confident | 89 Ų | 89 | 102.5 Ų | 102.5 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | Q115 A123 | Q115-V119 VanDerWaalsContact O-CG2 3.25Å; Q115-V119 WeakPolarHBondContact O-CG2 3.42Å; Q115-V119 PolarHBondContact O-N 2.89Å; Q115-V119 VanDerWaalsContact O-N 3.09Å; V119-A123 WeakPolarHBondContact O-CB 3.39Å; V119-A123 PolarHBondContact O-N 2.93Å |
| 120 | Q | 83.6 | Confident | 79 | Confident | 128 Ų | 128 | 101.9 Ų | 101.9 | 60% | 0.598 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.9 | -43.3 | 176.7 | -174.7 | 176.7 | 21.1 | 0 | 0 | 111.7 | K116 S117 E118 Q122 A123 I124 | K116-Q120 WeakPolarHBondContact O-CB 3.49Å; K116-Q120 PolarHBondContact O-N 3.06Å; K116-Q120 VanDerWaalsContact O-N 3.08Å; S117-Q120 PolarHBondContact O-N 3.36Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 3.4Å; Q120-Q122 VanDerWaalsContact C-N 3.33Å; Q120-Q122 PolarHBondContact O-N 2.94Å; Q120-A123 PolarHBondContact O-N 3.39Å; Q120-I124 HydrophobicContact CG-CD1 4.09Å; Q120-I124 VanDerWaalsContact O-CG1 3.3Å; Q120-I124 WeakPolarHBondContact O-CG1 3.32Å; Q120-I124 PolarHBondContact O-N 3.44Å |
| 121 | E | 81.9 | Confident | 80.2 | Confident | 137 Ų | 137 | 105 Ų | 105 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 176.9 | -171.8 | 178 | 158.3 | 0 | 0 | 111.4 | S117 E118 A123 I124 H125 | S117-E121 WeakPolarHBondContact O-CB 3.1Å; S117-E121 PolarHBondContact O-N 3.03Å; E118-E121 PolarHBondContact O-N 3.43Å; E121-A123 VanDerWaalsContact C-N 3.33Å; E121-A123 PolarHBondContact O-N 3.38Å; E121-I124 PolarHBondContact O-N 3.2Å; E121-H125 WeakPolarHBondContact O-CB 3.39Å; E121-H125 PolarHBondContact O-N 3.43Å |
| 122 | Q | 85.8 | Confident | 81.2 | Confident | 131 Ų | 131 | 107.5 Ų | 107.5 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67 | -35 | 177.8 | -157 | 170.8 | 33.7 | 0 | 0 | 112.3 | E118 Q120 T126 | E118-Q122 WeakPolarHBondContact O-CB 3.3Å; E118-Q122 PolarHBondContact O-N 3.35Å; Q120-Q122 VanDerWaalsContact C-N 3.33Å; Q120-Q122 PolarHBondContact O-N 2.94Å; Q122-T126 WeakPolarHBondContact O-CB 3.35Å; Q122-T126 PolarHBondContact O-N 3.17Å; Q122-T126 PolarHBondContact O-OG1 3.18Å |
| 123 | A | 87.2 | Confident | 81.9 | Confident | 57 Ų | 57 | 109.4 Ų | 109.4 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V119 Q120 E121 T126 Q127 | V119-A123 WeakPolarHBondContact O-CB 3.39Å; V119-A123 PolarHBondContact O-N 2.93Å; Q120-A123 PolarHBondContact O-N 3.39Å; E121-A123 VanDerWaalsContact C-N 3.33Å; E121-A123 PolarHBondContact O-N 3.38Å; A123-T126 PolarHBondContact O-N 3.29Å; A123-Q127 WeakPolarHBondContact O-CB 3.42Å; A123-Q127 PolarHBondContact O-N 3.13Å |
| 124 | I | 91.1 | Very high | 82.5 | Confident | 83 Ų | 83 | 107.6 Ų | 107.6 | 43% | 0.426 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 176.8 | -67.3 | 164.4 | 0 | 0 | 0 | 110.4 | Q120 E121 T126 Q127 L128 | Q120-I124 HydrophobicContact CG-CD1 4.09Å; Q120-I124 VanDerWaalsContact O-CG1 3.3Å; Q120-I124 WeakPolarHBondContact O-CG1 3.32Å; Q120-I124 PolarHBondContact O-N 3.44Å; E121-I124 PolarHBondContact O-N 3.2Å; I124-T126 VanDerWaalsContact C-N 3.29Å; I124-T126 PolarHBondContact O-N 3.28Å; I124-Q127 PolarHBondContact O-N 3.45Å; I124-L128 HydrophobicContact CG2-CD1 3.93Å; I124-L128 HydrophobicContact CG2-CG 4.34Å; I124-L128 WeakPolarHBondContact O-CG 3.17Å; I124-L128 PolarHBondContact O-N 3.34Å |
| 125 | H | 90 | Very high | 82.6 | Confident | 127 Ų | 127 | 108.6 Ų | 108.6 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60 | -40.8 | 178.9 | -174.5 | -80.7 | 0 | 0 | 0 | 112 | E121 H129 | E121-H125 WeakPolarHBondContact O-CB 3.39Å; E121-H125 PolarHBondContact O-N 3.43Å; H125-H129 WeakPolarHBondContact O-CB 3.39Å; H125-H129 PolarHBondContact O-N 3Å |
| 126 | T | 88.6 | Confident | 82.4 | Confident | 88 Ų | 88 | 107.8 Ų | 107.8 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 177.2 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | Q122 A123 I124 H129 S130 | Q122-T126 WeakPolarHBondContact O-CB 3.35Å; Q122-T126 PolarHBondContact O-N 3.17Å; Q122-T126 PolarHBondContact O-OG1 3.18Å; A123-T126 PolarHBondContact O-N 3.29Å; I124-T126 VanDerWaalsContact C-N 3.29Å; I124-T126 PolarHBondContact O-N 3.28Å; T126-H129 PolarHBondContact O-N 3.44Å; T126-S130 PolarHBondContact O-N 2.86Å; T126-S130 PolarHBondContact O-OG 3.24Å |
| 127 | Q | 90.3 | Very high | 82.4 | Confident | 128 Ų | 128 | 107.6 Ų | 107.6 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.2 | -46.2 | 177.3 | -176.2 | 178 | -1.6 | 0 | 0 | 111.7 | A123 I124 H129 S130 Q131 | A123-Q127 WeakPolarHBondContact O-CB 3.42Å; A123-Q127 PolarHBondContact O-N 3.13Å; I124-Q127 PolarHBondContact O-N 3.45Å; Q127-H129 VanDerWaalsContact C-N 3.32Å; Q127-H129 PolarHBondContact O-N 3.2Å; Q127-S130 PolarHBondContact O-N 3.07Å; Q127-S130 PolarHBondContact O-OG 3.03Å; Q127-Q131 PolarHBondContact O-N 3.34Å |
| 128 | L | 90.9 | Very high | 82.4 | Confident | 103 Ų | 103 | 110 Ų | 110 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.9 | -68.9 | 173.4 | 0 | 0 | 0 | 111.5 | I124 S130 Q131 L132 | I124-L128 HydrophobicContact CG2-CD1 3.93Å; I124-L128 HydrophobicContact CG2-CG 4.34Å; I124-L128 WeakPolarHBondContact O-CG 3.17Å; I124-L128 PolarHBondContact O-N 3.34Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 2.93Å; L128-Q131 PolarHBondContact O-N 2.9Å; L128-L132 PolarHBondContact O-N 3.34Å |
| 129 | H | 86.9 | Confident | 81.7 | Confident | 102 Ų | 102 | 110 Ų | 110 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.9 | -32.1 | 177.4 | -163.3 | -56.2 | 0 | 0 | 0 | 112.7 | H125 T126 Q127 R133 | H125-H129 WeakPolarHBondContact O-CB 3.39Å; H125-H129 PolarHBondContact O-N 3Å; T126-H129 PolarHBondContact O-N 3.44Å; Q127-H129 VanDerWaalsContact C-N 3.32Å; Q127-H129 PolarHBondContact O-N 3.2Å; H129-R133 WeakPolarHBondContact O-CB 3.32Å; H129-R133 WeakPolarHBondContact O-CG 3.2Å; H129-R133 PolarHBondContact O-N 2.99Å |
| 130 | S | 84.4 | Confident | 81 | Confident | 69 Ų | 69 | 111 Ų | 111 | 48% | 0.483 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72 | -36.3 | 173.7 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | T126 Q127 L128 R133 Q134 | T126-S130 PolarHBondContact O-N 2.86Å; T126-S130 PolarHBondContact O-OG 3.24Å; Q127-S130 PolarHBondContact O-N 3.07Å; Q127-S130 PolarHBondContact O-OG 3.03Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 2.93Å; S130-R133 PolarHBondContact O-N 3.29Å; S130-Q134 PolarHBondContact O-N 3.06Å; S130-Q134 VanDerWaalsContact O-N 3.11Å |
| 131 | Q | 87.4 | Confident | 79.9 | Confident | 113 Ų | 113 | 111.9 Ų | 111.9 | 53% | 0.528 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.7 | -45 | 178.9 | -172.3 | 170.7 | 21.2 | 0 | 0 | 111.3 | Q127 L128 R133 Q134 E135 | Q127-Q131 PolarHBondContact O-N 3.34Å; L128-Q131 PolarHBondContact O-N 2.9Å; Q131-R133 VanDerWaalsContact C-N 3.27Å; Q131-R133 PolarHBondContact O-N 3.49Å; Q131-Q134 WeakPolarHBondContact O-CB 3.43Å; Q131-Q134 PolarHBondContact O-N 3.1Å; Q131-Q134 VanDerWaalsContact O-N 3.08Å; Q131-E135 PolarHBondContact O-N 3.28Å |
| 132 | L | 85.9 | Confident | 78.9 | Confident | 108 Ų | 108 | 111 Ų | 111 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.8 | -39.2 | 176.2 | -175.3 | 66.1 | 0 | 0 | 0 | 112.1 | L128 Q134 E135 E136 | L128-L132 PolarHBondContact O-N 3.34Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.43Å; L132-E135 PolarHBondContact O-N 2.93Å; L132-E136 WeakPolarHBondContact O-CB 3.45Å; L132-E136 PolarHBondContact O-N 3.42Å |
| 133 | R | 80 | Confident | 77.5 | Confident | 137 Ų | 137 | 112.5 Ų | 112.5 | 52% | 0.517 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.5 | -33.5 | 175.9 | -84.7 | -86.7 | -78.5 | -86.8 | -7.4 | 113 | H129 S130 Q131 E137 | H129-R133 WeakPolarHBondContact O-CB 3.32Å; H129-R133 WeakPolarHBondContact O-CG 3.2Å; H129-R133 PolarHBondContact O-N 2.99Å; S130-R133 PolarHBondContact O-N 3.29Å; Q131-R133 VanDerWaalsContact C-N 3.27Å; Q131-R133 PolarHBondContact O-N 3.49Å; R133-E137 WeakPolarHBondContact O-CG 3.32Å; R133-E137 PolarHBondContact O-N 3.14Å |
| 134 | Q | 74.6 | Confident | 76.2 | Confident | 115 Ų | 115 | 116.8 Ų | 116.8 | 54% | 0.537 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.2 | -38.3 | 177.7 | -169.2 | 174.3 | 0.1 | 0 | 0 | 111.3 | S130 Q131 L132 E137 E138 | S130-Q134 PolarHBondContact O-N 3.06Å; S130-Q134 VanDerWaalsContact O-N 3.11Å; Q131-Q134 WeakPolarHBondContact O-CB 3.43Å; Q131-Q134 PolarHBondContact O-N 3.1Å; Q131-Q134 VanDerWaalsContact O-N 3.08Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.43Å; Q134-E137 PolarHBondContact O-N 3.02Å; Q134-E138 WeakPolarHBondContact O-CB 3.4Å; Q134-E138 WeakPolarHBondContact O-CG 3.4Å; Q134-E138 PolarHBondContact O-N 3.13Å |
| 135 | E | 74.3 | Confident | 74.6 | Confident | 113 Ų | 113 | 116.5 Ų | 116.5 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -42.6 | 175.3 | -164.8 | 170.1 | -165.5 | 0 | 0 | 111.4 | Q131 L132 E137 E138 E139 | Q131-E135 PolarHBondContact O-N 3.28Å; L132-E135 PolarHBondContact O-N 2.93Å; E135-E137 VanDerWaalsContact C-N 3.35Å; E135-E137 PolarHBondContact O-N 3.09Å; E135-E138 PolarHBondContact O-N 2.83Å; E135-E139 PolarHBondContact O-N 3.35Å |
| 136 | E | 72.1 | Confident | 72.5 | Confident | 111 Ų | 111 | 116.5 Ų | 116.5 | 52% | 0.519 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.6 | -37.2 | 174.4 | -169.3 | 179.7 | -171.9 | 0 | 0 | 112.4 | L132 E140 | L132-E136 WeakPolarHBondContact O-CB 3.45Å; L132-E136 PolarHBondContact O-N 3.42Å; E136-E140 WeakPolarHBondContact O-CB 3.42Å; E136-E140 PolarHBondContact O-N 2.88Å; E136-E140 VanDerWaalsContact O-N 3.17Å |
| 137 | E | 69.8 | Low | 70.6 | Confident | 124 Ų | 124 | 117 Ų | 117 | 58% | 0.579 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.3 | -35 | 175.3 | -77.3 | 177.3 | -169.1 | 0 | 0 | 112.5 | R133 Q134 E135 E141 | R133-E137 WeakPolarHBondContact O-CG 3.32Å; R133-E137 PolarHBondContact O-N 3.14Å; Q134-E137 PolarHBondContact O-N 3.02Å; E135-E137 VanDerWaalsContact C-N 3.35Å; E135-E137 PolarHBondContact O-N 3.09Å; E137-E141 PolarHBondContact O-N 3.47Å; E137-E141 VanDerWaalsContact O-N 3.13Å |
| 138 | E | 69 | Low | 68.9 | Low | 117 Ų | 117 | 114 Ų | 114 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.6 | -42.5 | 175.7 | -77.6 | 178.2 | -173.3 | 0 | 0 | 111.8 | Q134 E135 E140 E141 E142 | Q134-E138 WeakPolarHBondContact O-CB 3.4Å; Q134-E138 WeakPolarHBondContact O-CG 3.4Å; Q134-E138 PolarHBondContact O-N 3.13Å; E135-E138 PolarHBondContact O-N 2.83Å; E138-E140 VanDerWaalsContact C-N 3.32Å; E138-E140 PolarHBondContact O-N 2.99Å; E138-E141 PolarHBondContact O-N 3.48Å; E138-E142 WeakPolarHBondContact O-CB 3.33Å; E138-E142 PolarHBondContact O-N 2.9Å |
| 139 | E | 64.3 | Low | 67.1 | Low | 131 Ų | 131 | 117.6 Ų | 117.6 | 61% | 0.612 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.6 | -42.3 | 173 | -78.5 | -170.4 | 159.2 | 0 | 0 | 111.5 | E135 E141 E142 E143 | E135-E139 PolarHBondContact O-N 3.35Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 3.24Å; E139-E142 PolarHBondContact O-N 3.47Å; E139-E143 WeakPolarHBondContact O-CB 3.35Å; E139-E143 PolarHBondContact O-N 3.04Å |
| 140 | E | 63.1 | Low | 65.7 | Low | 108 Ų | 108 | 116.8 Ų | 116.8 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.8 | -29.6 | 176.9 | -95.7 | -152.4 | -159.2 | 0 | 0 | 114 | E136 E138 K144 | E136-E140 WeakPolarHBondContact O-CB 3.42Å; E136-E140 PolarHBondContact O-N 2.88Å; E136-E140 VanDerWaalsContact O-N 3.17Å; E138-E140 VanDerWaalsContact C-N 3.32Å; E138-E140 PolarHBondContact O-N 2.99Å; E140-K144 VanDerWaalsContact O-CD 3.23Å; E140-K144 WeakPolarHBondContact O-CD 3.29Å; E140-K144 WeakPolarHBondContact O-CE 3.22Å; E140-K144 VanDerWaalsContact O-CG 3.27Å; E140-K144 WeakPolarHBondContact O-CG 3.31Å; E140-K144 PolarHBondContact O-NZ 2.8Å; E140-K144 IonicContact OE2-NZ 3.98Å; E140-K144 PolarHBondContact OE2-NZ 3.49Å |
| 141 | E | 61.5 | Low | 64.5 | Low | 147 Ų | 147 | 119 Ų | 119 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.5 | -37.3 | 173.4 | -83.7 | -158.2 | 153.9 | 0 | 0 | 111.7 | E137 E138 E139 K144 S145 | E137-E141 PolarHBondContact O-N 3.47Å; E137-E141 VanDerWaalsContact O-N 3.13Å; E138-E141 PolarHBondContact O-N 3.48Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 3.24Å; E141-K144 PolarHBondContact O-N 2.76Å; E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-N 3.45Å |
| 142 | E | 59.1 | Low | 63.2 | Low | 120 Ų | 120 | 121 Ų | 121 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.6 | -43.4 | 179.1 | -163.7 | 164.4 | -157.5 | 0 | 0 | 111.1 | E138 E139 K144 S145 H146 | E138-E142 WeakPolarHBondContact O-CB 3.33Å; E138-E142 PolarHBondContact O-N 2.9Å; E139-E142 PolarHBondContact O-N 3.47Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 2.79Å; E142-S145 PolarHBondContact O-N 2.98Å; E142-S145 VanDerWaalsContact O-N 3.07Å; E142-S145 PolarHBondContact O-OG 3.34Å; E142-H146 PolarHBondContact O-N 3.06Å |
| 143 | E | 57.6 | Low | 61.8 | Low | 162 Ų | 162 | 122.6 Ų | 122.6 | 76% | 0.757 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.6 | -31.6 | 176.1 | -146.6 | -173 | -172.8 | 0 | 0 | 112.5 | E139 | E139-E143 WeakPolarHBondContact O-CB 3.35Å; E139-E143 PolarHBondContact O-N 3.04Å |
| 144 | K | 58.5 | Low | 60.9 | Low | 147 Ų | 147 | 121.3 Ų | 121.3 | 64% | 0.639 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.4 | -23 | 176 | -69.3 | 168.9 | -165.5 | 135 | 0 | 113 | E140 E141 E142 | E140-K144 VanDerWaalsContact O-CD 3.23Å; E140-K144 WeakPolarHBondContact O-CD 3.29Å; E140-K144 WeakPolarHBondContact O-CE 3.22Å; E140-K144 VanDerWaalsContact O-CG 3.27Å; E140-K144 WeakPolarHBondContact O-CG 3.31Å; E140-K144 PolarHBondContact O-NZ 2.8Å; E140-K144 IonicContact OE2-NZ 3.98Å; E140-K144 PolarHBondContact OE2-NZ 3.49Å; E141-K144 PolarHBondContact O-N 2.76Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 2.79Å |
| 145 | S | 59 | Low | 60.2 | Low | 76 Ų | 76 | 123.9 Ų | 123.9 | 53% | 0.531 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -86.1 | -21 | -177 | 79.5 | 0 | 0 | 0 | 0 | 113.6 | E141 E142 P147 | E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-N 3.45Å; E142-S145 PolarHBondContact O-N 2.98Å; E142-S145 VanDerWaalsContact O-N 3.07Å; E142-S145 PolarHBondContact O-OG 3.34Å; S145-P147 WeakPolarHBondContact O-CD 3.38Å |
| 146 | H | 45.6 | Very low | 59.7 | Low | 127 Ų | 127 | 120.9 Ų | 120.9 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -71.8 | 120.9 | 175.8 | -84.3 | 22.4 | 0 | 0 | 0 | 111.1 | E142 G148 | E142-H146 PolarHBondContact O-N 3.06Å; H146-G148 VanDerWaalsContact C-N 3.25Å; H146-G148 PolarHBondContact O-N 3.33Å |
| 147 | P | 49.2 | Very low | 59.4 | Low | 99 Ų | 99 | 121.6 Ų | 121.6 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | trans | -74.3 | 82.2 | 175.9 | 0.1 | 15.5 | 0 | 0 | 0 | 109.4 | S145 K149 T150 | S145-P147 WeakPolarHBondContact O-CD 3.38Å; P147-K149 PolarHBondContact O-N 3.35Å; P147-T150 PolarHBondContact O-N 3.07Å; P147-T150 PolarHBondContact O-OG1 3.29Å | ||
| 148 | G | 54.5 | Low | 58.9 | Low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 17.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H146 | H146-G148 VanDerWaalsContact C-N 3.25Å; H146-G148 PolarHBondContact O-N 3.33Å |
| 149 | K | 52.1 | Low | 58.6 | Low | 178 Ų | 178 | 121.8 Ų | 121.8 | 77% | 0.774 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -8.4 | -178 | -58 | 176.1 | -174.8 | 172.6 | 0 | 112.7 | P147 | P147-K149 PolarHBondContact O-N 3.35Š|
| 150 | T | 57.4 | Low | 58.2 | Low | 84 Ų | 84 | 122.7 Ų | 122.7 | 52% | 0.515 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -85.8 | -33 | -174 | -20.4 | 0 | 0 | 0 | 0 | 112.1 | P147 M154 | P147-T150 PolarHBondContact O-N 3.07Å; P147-T150 PolarHBondContact O-OG1 3.29Å; T150-M154 PolarHBondContact O-N 3.04Å |
| 151 | L | 59.1 | Low | 57.7 | Low | 115 Ų | 115 | 121.8 Ų | 121.8 | 60% | 0.602 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.3 | -47.8 | 179.9 | -129.8 | 95.1 | 0 | 0 | 0 | 111.7 | H153 M154 W155 | L151-H153 PolarHBondContact O-N 2.86Å; L151-M154 HydrophobicContact CD1-CE 4.3Å; L151-M154 HydrophobicContact CG-CE 4.45Å; L151-M154 PolarHBondContact O-N 2.95Å; L151-M154 VanDerWaalsContact O-N 3.1Å; L151-W155 PolarHBondContact O-N 3.42Å |
| 152 | E | 61.5 | Low | 57.4 | Low | 155 Ų | 155 | 118.7 Ų | 118.7 | 72% | 0.724 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61 | -33.1 | -178.2 | -159.1 | 169.8 | -165.7 | 0 | 0 | 112.2 | A156 | E152-A156 PolarHBondContact O-N 3.19Å; E152-A156 VanDerWaalsContact O-N 3.16Å |
| 153 | H | 56.5 | Low | 56.9 | Low | 142 Ų | 142 | 121.7 Ų | 121.7 | 66% | 0.657 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.3 | -28.7 | 178.7 | -139.4 | -65.6 | 0 | 0 | 0 | 113.4 | L151 Q157 | L151-H153 PolarHBondContact O-N 2.86Å; H153-Q157 PolarHBondContact O-N 3.41Å |
| 154 | M | 59.7 | Low | 56.4 | Low | 111 Ų | 111 | 115.6 Ų | 115.6 | 55% | 0.547 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.7 | -39 | 174.4 | -73.6 | -172.3 | -65.4 | 0 | 0 | 111.8 | T150 L151 Q157 H158 | T150-M154 PolarHBondContact O-N 3.04Å; L151-M154 HydrophobicContact CD1-CE 4.3Å; L151-M154 HydrophobicContact CG-CE 4.45Å; L151-M154 PolarHBondContact O-N 2.95Å; L151-M154 VanDerWaalsContact O-N 3.1Å; M154-Q157 PolarHBondContact O-N 2.98Å; M154-H158 PolarHBondContact O-N 2.78Å |
| 155 | W | 60.3 | Low | 56.3 | Low | 169 Ų | 169 | 115.2 Ų | 115.2 | 64% | 0.64 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.6 | -40.7 | 175.2 | -77.8 | 100.2 | 0 | 0 | 0 | 112.3 | L151 Q157 H158 L159 | L151-W155 PolarHBondContact O-N 3.42Å; W155-Q157 PolarHBondContact O-N 2.88Å; W155-H158 PolarHBondContact O-N 3.26Å; W155-L159 PolarHBondContact O-N 3.22Å; W155-L159 VanDerWaalsContact O-N 3.12Å |
| 156 | A | 64.6 | Low | 55.8 | Low | 49 Ų | 49 | 120.2 Ų | 120.2 | 41% | 0.405 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.6 | -42.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | E152 H158 L159 E160 | E152-A156 PolarHBondContact O-N 3.19Å; E152-A156 VanDerWaalsContact O-N 3.16Å; A156-H158 PolarHBondContact O-N 3.32Å; A156-L159 PolarHBondContact O-N 3.29Å; A156-E160 WeakPolarHBondContact O-CB 3.43Å; A156-E160 PolarHBondContact O-N 3.09Å |
| 157 | Q | 64.8 | Low | 56.1 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 59% | 0.589 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67 | -34.2 | 178.6 | -173.6 | 174.9 | -10.6 | 0 | 0 | 112.9 | H153 M154 W155 S161 | H153-Q157 PolarHBondContact O-N 3.41Å; M154-Q157 PolarHBondContact O-N 2.98Å; W155-Q157 PolarHBondContact O-N 2.88Å; Q157-S161 VanDerWaalsContact O-CB 3.32Å; Q157-S161 WeakPolarHBondContact O-CB 3.46Å; Q157-S161 PolarHBondContact O-N 2.73Å; Q157-S161 PolarHBondContact O-OG 2.76Å |
| 158 | H | 59.9 | Low | 56 | Low | 134 Ų | 134 | 129 Ų | 129 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -67.4 | -44 | 174.6 | -175.5 | -76.3 | 0 | 0 | 0 | 111.9 | M154 W155 A156 E160 S161 A162 | M154-H158 PolarHBondContact O-N 2.78Å; W155-H158 PolarHBondContact O-N 3.26Å; A156-H158 PolarHBondContact O-N 3.32Å; H158-E160 VanDerWaalsContact C-N 3.29Å; H158-E160 PolarHBondContact O-N 3.16Å; H158-S161 PolarHBondContact O-N 3.2Å; H158-A162 PolarHBondContact O-N 3.1Å |
| 159 | L | 62.1 | Low | 55.7 | Low | 111 Ų | 111 | 131.7 Ų | 131.7 | 58% | 0.581 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -63.9 | -32.2 | 176.1 | -88.7 | 152.6 | 0 | 0 | 0 | 113.2 | W155 A156 | W155-L159 PolarHBondContact O-N 3.22Å; W155-L159 VanDerWaalsContact O-N 3.12Å; A156-L159 PolarHBondContact O-N 3.29Å |
| 160 | E | 55.7 | Low | 55.5 | Low | 150 Ų | 150 | 128.1 Ų | 128.1 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.3 | -32.4 | 177.9 | -148.8 | 137.5 | -138.7 | 0 | 0 | 111.9 | A156 H158 R163 | A156-E160 WeakPolarHBondContact O-CB 3.43Å; A156-E160 PolarHBondContact O-N 3.09Å; H158-E160 VanDerWaalsContact C-N 3.29Å; H158-E160 PolarHBondContact O-N 3.16Å; E160-R163 PolarHBondContact O-N 3.04Å |
| 161 | S | 54.2 | Low | 55.1 | Low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.7 | -27.6 | 174.9 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | Q157 H158 R163 | Q157-S161 VanDerWaalsContact O-CB 3.32Å; Q157-S161 WeakPolarHBondContact O-CB 3.46Å; Q157-S161 PolarHBondContact O-N 2.73Å; Q157-S161 PolarHBondContact O-OG 2.76Å; H158-S161 PolarHBondContact O-N 3.2Å; S161-R163 PolarHBondContact O-N 3.35Å |
| 162 | A | 53.6 | Low | 54.6 | Low | 82 Ų | 82 | 137.1 Ų | 137.1 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -11 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H158 G164 | H158-A162 PolarHBondContact O-N 3.1Å; A162-G164 VanDerWaalsContact C-N 3.29Å; A162-G164 PolarHBondContact O-N 2.99Å |
| 163 | R | 49.9 | Very low | 54.1 | Low | 182 Ų | 182 | 134.5 Ų | 134.5 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -96.2 | 43.7 | 178.2 | -145.6 | -177.1 | -67.5 | -124.1 | 3.3 | 111.6 | E160 S161 | E160-R163 PolarHBondContact O-N 3.04Å; S161-R163 PolarHBondContact O-N 3.35Å |
| 164 | G | 47.1 | Very low | 53.7 | Low | 34 Ų | 34 | 133.7 Ų | 133.7 | 35% | 0.351 | 71% | 0.708 | S | S | . | * | trans | -61.8 | 170.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A162 Q166 | A162-G164 VanDerWaalsContact C-N 3.29Å; A162-G164 PolarHBondContact O-N 2.99Å; G164-Q166 PolarHBondContact O-N 3.49Å | ||
| 165 | P | 54.6 | Low | 53.3 | Low | 139 Ų | 139 | 135.6 Ų | 135.6 | 90% | 0.903 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -2.8 | -166.5 | -22.8 | 32.4 | 0 | 0 | 0 | 117 | K167 | P165-K167 VanDerWaalsContact C-N 3.35Å; P165-K167 PolarHBondContact O-N 3.31Å |
| 166 | Q | 49.5 | Very low | 52.9 | Low | 182 Ų | 182 | 136.8 Ų | 136.8 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -9.2 | -170.9 | -149.8 | 172.5 | 16.6 | 0 | 0 | 113.9 | G164 R168 | G164-Q166 PolarHBondContact O-N 3.49Å; Q166-R168 VanDerWaalsContact C-N 3.35Å; Q166-R168 PolarHBondContact O-N 3.48Å |
| 167 | K | 52 | Low | 52.2 | Low | 171 Ų | 171 | 143.5 Ų | 143.5 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 41 | 179.4 | -153.9 | 176.3 | -177.2 | 175.7 | 0 | 113.9 | P165 | P165-K167 VanDerWaalsContact C-N 3.35Å; P165-K167 PolarHBondContact O-N 3.31Å |
| 168 | R | 47.2 | Very low | 51.5 | Low | 239 Ų | 239 | 143.9 Ų | 143.9 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 16.4 | 167.7 | -73.8 | -160.1 | -174.5 | -119.2 | 4.8 | 114.3 | Q166 | Q166-R168 VanDerWaalsContact C-N 3.35Å; Q166-R168 PolarHBondContact O-N 3.48Å |
| 169 | V | 48.2 | Very low | 51.2 | Low | 123 Ų | 123 | 142.6 Ų | 142.6 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -121.5 | -13.1 | 179.1 | -168.7 | 0 | 0 | 0 | 0 | 113.2 | E171 | V169-E171 VanDerWaalsContact C-N 3.35Å; V169-E171 PolarHBondContact O-N 2.79Å |
| 170 | A | 46.8 | Very low | 50.5 | Low | 102 Ų | 102 | 145.6 Ų | 145.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 31.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 171 | E | 49.1 | Very low | 50.2 | Low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 22.3 | 175.1 | -153.5 | -176.2 | 138.4 | 0 | 0 | 112.3 | V169 | V169-E171 VanDerWaalsContact C-N 3.35Å; V169-E171 PolarHBondContact O-N 2.79Å |
| 172 | K | 49 | Very low | 49.9 | Very low | 202 Ų | 202 | 153.7 Ų | 153.7 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -159.9 | 53.2 | -179.8 | -123.8 | 173.8 | -173.4 | 178.4 | 0 | 114 | ||
| 173 | A | 51.1 | Low | 49.9 | Very low | 101 Ų | 101 | 154 Ų | 154 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -161.8 | 37.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 174 | S | 47.8 | Very low | 49.6 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -129.1 | 67.5 | 171.8 | -167.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 175 | D | 52.3 | Low | 49.4 | Very low | 152 Ų | 152 | 162.1 Ų | 162.1 | 81% | 0.813 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -160.2 | 53 | 168.5 | -144.8 | 8.7 | 0 | 0 | 0 | 111.2 | ||
| 176 | E | 51 | Low | 49.5 | Very low | 194 Ų | 194 | 165.5 Ų | 165.5 | 91% | 0.907 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -159.2 | 38.1 | 170.2 | -155 | 130.9 | -159.6 | 0 | 0 | 114 | ||
| 177 | E | 50.3 | Low | 49 | Very low | 189 Ų | 189 | 160 Ų | 160 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -152.6 | 44.8 | 170.4 | -151.4 | -164.2 | 151.1 | 0 | 0 | 114.3 | ||
| 178 | T | 49.7 | Very low | 48.3 | Very low | 134 Ų | 134 | 160.9 Ų | 160.9 | 82% | 0.822 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -137.6 | 7.5 | 169.6 | 30.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 179 | A | 54.9 | Low | 48 | Very low | 107 Ų | 107 | 158.6 Ų | 158.6 | 88% | 0.884 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -99.5 | 34.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 180 | Q | 47 | Very low | 47.7 | Very low | 175 Ų | 175 | 159.6 Ų | 159.6 | 82% | 0.818 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -128.6 | -5.4 | 174.8 | -134.8 | 172.7 | 25 | 0 | 0 | 115.6 | ||
| 181 | F | 48.5 | Very low | 47.6 | Very low | 209 Ų | 209 | 162.6 Ų | 162.6 | 92% | 0.917 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -110.4 | 39.3 | -178.2 | -93.6 | -86 | 0 | 0 | 0 | 114.4 | ||
| 182 | Q | 48.6 | Very low | 46.9 | Very low | 201 Ų | 201 | 157.5 Ų | 157.5 | 94% | 0.939 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -132.8 | 14.9 | 167.1 | -88.1 | -149 | 58.6 | 0 | 0 | 114.5 | ||
| 183 | A | 53.5 | Low | 46.3 | Very low | 89 Ų | 89 | 152 Ų | 152 | 74% | 0.736 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -121.1 | 1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 184 | E | 44.4 | Very low | 45.5 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 90% | 0.897 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -130.6 | 28.3 | -176.6 | -145.7 | 176.8 | 174.5 | 0 | 0 | 114.8 | ||
| 185 | E | 42.8 | Very low | 44.8 | Very low | 194 Ų | 194 | 152.7 Ų | 152.7 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -118.5 | 44.8 | 155.6 | -157.1 | -167.2 | -179.8 | 0 | 0 | 109.9 | ||
| 186 | K | 54.9 | Low | 44.5 | Very low | 209 Ų | 209 | 151 Ų | 151 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | trans | -129 | 58.1 | 162.2 | -78.3 | -175.8 | -179.8 | 173.6 | 0 | 108.7 | ||||
| 187 | G | 40.6 | Very low | 44.3 | Very low | 68 Ų | 68 | 148.4 Ų | 148.4 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | -111.9 | 124.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 188 | M | 37.1 | Very low | 43.9 | Very low | 189 Ų | 189 | 149.3 Ų | 149.3 | 93% | 0.931 | 83% | 0.832 | S | S | * | * | trans | 87.6 | 75.6 | 165.5 | -53.2 | 177.1 | 76.9 | 0 | 0 | 117.6 | ||||
| 189 | Q | 41.5 | Very low | 43.2 | Very low | 190 Ų | 190 | 151.9 Ų | 151.9 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -80.5 | 112.7 | 134.3 | -76.4 | 166.6 | 27.9 | 0 | 0 | 107.7 | ||||
| 190 | L | 40.8 | Very low | 42.5 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | trans | 170.9 | 140.6 | 131.8 | -126.7 | 79.6 | 0 | 0 | 0 | 112.1 | ||||
| 191 | L | 44.6 | Very low | 42.2 | Very low | 165 Ų | 165 | 149 Ų | 149 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | 86.2 | 93.5 | 157.8 | -55.1 | 168.9 | 0 | 0 | 0 | 118.2 | ||||
| 192 | G | 35.3 | Very low | 42.4 | Very low | 78 Ų | 78 | 148 Ų | 148 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -171 | 59.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 193 | G | 34.9 | Very low | 41.9 | Very low | 86 Ų | 86 | 147.4 Ų | 147.4 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -68.4 | 153.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 194 | G | 34.7 | Very low | 41 | Very low | 64 Ų | 64 | 149.2 Ų | 149.2 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | cis | 171 | 142.2 | -1.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 195 | H | 34.6 | Very low | 40.4 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 82% | 0.819 | 82% | 0.817 | S | S | * | * | trans | -175.9 | 85 | 150.1 | -101.9 | -71.3 | 0 | 0 | 0 | 108.5 | ||||
| 196 | S | 45.9 | Very low | 40.1 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -111.7 | 99.3 | 152.9 | 54.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 197 | L | 46.6 | Very low | 39.1 | Very low | 139 Ų | 139 | 143 Ų | 143 | 73% | 0.728 | 80% | 0.796 | S | S | * | * | trans | -99.9 | 96.4 | 169 | -104.7 | 152.9 | 0 | 0 | 0 | 107.8 | ||||
| 198 | W | 40.6 | Very low | 38.9 | Very low | 208 Ų | 208 | 149.8 Ų | 149.8 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | 35.5 | 110 | 143.8 | -65.2 | 74.8 | 0 | 0 | 0 | 118 | ||||
| 199 | Q | 36.1 | Very low | 38.5 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | -171.3 | 127.9 | 106.5 | -99.8 | 156.2 | 93.3 | 0 | 0 | 113.2 | |||||
| 200 | D | 39 | Very low | 38.2 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -50.2 | 140.7 | 153.4 | -81.2 | -48.4 | 0 | 0 | 0 | 112.2 | ||||
| 201 | A | 42.3 | Very low | 38.3 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | -154.3 | 86.7 | 123.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | K203 | A201-K203 PolarHBondContact O-N 2.98Å; A201-K203 VanDerWaalsContact O-N 3.14Å | |||
| 202 | E | 52.5 | Low | 37.9 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -35.4 | 112.9 | -173.1 | -84.8 | -177.3 | 123.4 | 0 | 0 | 112.6 | ||||
| 203 | K | 37.5 | Very low | 38.2 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -137.8 | 125.1 | -175.7 | -96.2 | -173.3 | -178.6 | -179 | 0 | 113.1 | A201 | A201-K203 PolarHBondContact O-N 2.98Å; A201-K203 VanDerWaalsContact O-N 3.14Å | ||
| 204 | V | 33.5 | Very low | 38.8 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 82.7 | 90.8 | 139.6 | -175.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 205 | R | 33.3 | Very low | 39.4 | Very low | 248 Ų | 248 | 153.5 Ų | 153.5 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | trans | -80.8 | 111.7 | 155.2 | 176.2 | -178.7 | -91.4 | -106.9 | 1.7 | 108.1 | ||||
| 206 | G | 36.3 | Very low | 39.7 | Very low | 64 Ų | 64 | 155.5 Ų | 155.5 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | -75.3 | 146.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 207 | E | 34.5 | Very low | 39.4 | Very low | 153 Ų | 153 | 157 Ų | 157 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -67.8 | 156.3 | 176.2 | -117.9 | -178.9 | 171.3 | 0 | 0 | 114.2 | ||||
| 208 | R | 34.8 | Very low | 39.2 | Very low | 209 Ų | 209 | 159.3 Ų | 159.3 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | trans | 73.3 | 149.6 | 149.8 | -75.8 | -178.9 | -88.5 | 154.1 | -6.2 | 117.6 | ||||
| 209 | H | 30 | Very low | 39.3 | Very low | 142 Ų | 142 | 157.6 Ų | 157.6 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | cis | 179.5 | 146.3 | -9.3 | 176.4 | 69.5 | 0 | 0 | 0 | 105.7 | ||||
| 210 | E | 34.5 | Very low | 39.8 | Very low | 140 Ų | 140 | 156.8 Ų | 156.8 | 65% | 0.654 | 78% | 0.777 | S | S | * | * | trans | 53.2 | 118.1 | 154.8 | -76.1 | -178.9 | -170.5 | 0 | 0 | 123.5 | ||||
| 211 | E | 43 | Very low | 40.2 | Very low | 174 Ų | 174 | 157 Ų | 157 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | 46.6 | 111.6 | 114.7 | -157.7 | 163.7 | -177.4 | 0 | 0 | 119.7 | |||||
| 212 | S | 36 | Very low | 40.7 | Very low | 118 Ų | 118 | 157.8 Ų | 157.8 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -166.7 | 115.2 | 139.4 | -105.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 213 | S | 41.6 | Very low | 40.5 | Very low | 100 Ų | 100 | 154.9 Ų | 154.9 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 53.1 | 105.2 | 126.4 | -159.1 | 0 | 0 | 0 | 0 | 119.2 | H215 | S213-H215 PolarHBondContact O-N 3.13Š| |||
| 214 | N | 47.3 | Very low | 41 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -60.4 | 119.9 | 153 | -80.9 | -84.1 | 0 | 0 | 0 | 109.3 | ||||
| 215 | H | 48.5 | Very low | 41.8 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -175 | 145.8 | 144.5 | -77.8 | -40.6 | 0 | 0 | 0 | 108.4 | S213 | S213-H215 PolarHBondContact O-N 3.13Š| ||
| 216 | R | 40.9 | Very low | 42.9 | Very low | 220 Ų | 220 | 141.5 Ų | 141.5 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | trans | 134.1 | 137.6 | 157.8 | -73.6 | -147.7 | 151 | 119 | -8.2 | 110.7 | ||||
| 217 | H | 39.6 | Very low | 43.7 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | cis | -159.1 | 142.8 | -31.5 | -86.2 | -64.3 | 0 | 0 | 0 | 103.4 | L219 | H217-L219 PolarHBondContact O-N 3.03Š| ||
| 218 | H | 40.6 | Very low | 44.6 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 87% | 0.866 | 71% | 0.713 | S | S | * | * | trans | -63.6 | 128.4 | 167.4 | -84.2 | -83.3 | 0 | 0 | 0 | 109.1 | E220 | H218-E220 PolarHBondContact O-N 3.33Š| ||
| 219 | L | 44.6 | Very low | 45.7 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 91% | 0.906 | 70% | 0.697 | S | S | * | * | trans | -72 | 106.9 | 166.9 | -95.9 | 83.9 | 0 | 0 | 0 | 107.9 | H217 | H217-L219 PolarHBondContact O-N 3.03Š| ||
| 220 | E | 46.6 | Very low | 47.1 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | -74.5 | 126.8 | 163.4 | -128.6 | 155.1 | 108.4 | 0 | 0 | 108.2 | H218 | H218-E220 PolarHBondContact O-N 3.33Š| ||
| 221 | Q | 46 | Very low | 48.3 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 67% | 0.668 | 68% | 0.682 | S | S | * | * | trans | -74.5 | 135.5 | 172.9 | -78.7 | -165.5 | -6.9 | 0 | 0 | 109.9 | D223 | Q221-D223 PolarHBondContact O-N 2.92Š| ||
| 222 | P | 52.3 | Low | 49.4 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -17.8 | -174.5 | 28.4 | -34 | 0 | 0 | 0 | 114.8 | T224 | P222-T224 PolarHBondContact O-N 3.28Š|
| 223 | D | 48.7 | Very low | 50.7 | Low | 129 Ų | 129 | 130.5 Ų | 130.5 | 69% | 0.69 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -81.9 | -16.9 | -167.1 | -65.8 | -32.9 | 0 | 0 | 0 | 114.7 | Q221 | Q221-D223 PolarHBondContact O-N 2.92Å |
| 224 | T | 48.3 | Very low | 51.8 | Low | 106 Ų | 106 | 132 Ų | 132 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -91.1 | -16.6 | 179.8 | 56 | 0 | 0 | 0 | 0 | 113.7 | P222 | P222-T224 PolarHBondContact O-N 3.28Å |
| 225 | K | 51.3 | Low | 52.4 | Low | 119 Ų | 119 | 132.2 Ų | 132.2 | 52% | 0.517 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -84.9 | -43.4 | -178.7 | -161.4 | 178.9 | -175.5 | -166.3 | 0 | 111.8 | K227 H228 E229 | K225-K227 VanDerWaalsContact C-N 3.3Å; K225-K227 PolarHBondContact O-N 3.04Å; K225-H228 PolarHBondContact O-N 3.46Å; K225-E229 WeakPolarHBondContact CE-OE1 3.31Å; K225-E229 HydrophobicContact CG-CG 4.43Å; K225-E229 IonicContact NZ-OE1 3.8Å; K225-E229 WeakPolarHBondContact O-CG 3.07Å; K225-E229 PolarHBondContact O-N 2.9Å |
| 226 | A | 54.9 | Low | 53 | Low | 58 Ų | 58 | 130.3 Ų | 130.3 | 48% | 0.479 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -60.6 | -37 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | E230 | A226-E230 WeakPolarHBondContact O-CB 3.5Å; A226-E230 PolarHBondContact O-N 2.9Å; A226-E230 VanDerWaalsContact O-N 3.07Å |
| 227 | K | 52.8 | Low | 54 | Low | 131 Ų | 131 | 122.5 Ų | 122.5 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.4 | -32.4 | -179.8 | -166.3 | 179.6 | 174.7 | -166.1 | 0 | 113.3 | K225 E231 | K225-K227 VanDerWaalsContact C-N 3.3Å; K225-K227 PolarHBondContact O-N 3.04Å; K227-E231 WeakPolarHBondContact CE-OE1 3.46Å; K227-E231 IonicContact NZ-OE1 3.09Å; K227-E231 WeakPolarHBondContact O-CG 3.27Å; K227-E231 PolarHBondContact O-N 3.3Å |
| 228 | H | 53.9 | Low | 54.9 | Low | 140 Ų | 140 | 118.1 Ų | 118.1 | 65% | 0.648 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.2 | -30.2 | 179.1 | -141.6 | 48.2 | 0 | 0 | 0 | 111.8 | K225 E231 A232 | K225-H228 PolarHBondContact O-N 3.46Å; H228-E231 IonicContact ND1-OE2 2.76Å; H228-A232 VanDerWaalsContact O-CB 3.31Å; H228-A232 WeakPolarHBondContact O-CB 3.46Å; H228-A232 PolarHBondContact O-N 3.46Å; H228-A232 VanDerWaalsContact O-N 3.13Å |
| 229 | E | 58.5 | Low | 55.9 | Low | 96 Ų | 96 | 112.3 Ų | 112.3 | 45% | 0.449 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.5 | -41.3 | 171.1 | -71.5 | 172.2 | 166 | 0 | 0 | 111.1 | K225 A232 E233 | K225-E229 WeakPolarHBondContact CE-OE1 3.31Å; K225-E229 HydrophobicContact CG-CG 4.43Å; K225-E229 IonicContact NZ-OE1 3.8Å; K225-E229 WeakPolarHBondContact O-CG 3.07Å; K225-E229 PolarHBondContact O-N 2.9Å; E229-A232 PolarHBondContact O-N 3.42Å; E229-E233 WeakPolarHBondContact O-CB 3.37Å; E229-E233 WeakPolarHBondContact O-CG 3.49Å; E229-E233 PolarHBondContact O-N 3.38Å |
| 230 | E | 59.6 | Low | 57 | Low | 119 Ų | 119 | 110.9 Ų | 110.9 | 56% | 0.556 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.7 | -44.5 | 175.5 | -173.3 | 179.3 | 174.8 | 0 | 0 | 112.7 | A226 A232 E233 E234 | A226-E230 WeakPolarHBondContact O-CB 3.5Å; A226-E230 PolarHBondContact O-N 2.9Å; A226-E230 VanDerWaalsContact O-N 3.07Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.03Å; E230-E233 PolarHBondContact O-N 2.62Å; E230-E234 PolarHBondContact O-N 2.79Å |
| 231 | E | 59 | Low | 58.2 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.3 | -34.3 | 176.6 | -73.9 | 172.4 | -179 | 0 | 0 | 112.1 | K227 H228 E235 | K227-E231 WeakPolarHBondContact CE-OE1 3.46Å; K227-E231 IonicContact NZ-OE1 3.09Å; K227-E231 WeakPolarHBondContact O-CG 3.27Å; K227-E231 PolarHBondContact O-N 3.3Å; H228-E231 IonicContact ND1-OE2 2.76Å; E231-E235 PolarHBondContact O-N 2.88Å; E231-E235 VanDerWaalsContact O-N 3.14Å |
| 232 | A | 66.3 | Low | 59.1 | Low | 49 Ų | 49 | 109.3 Ų | 109.3 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.9 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H228 E229 E230 E235 E236 | H228-A232 VanDerWaalsContact O-CB 3.31Å; H228-A232 WeakPolarHBondContact O-CB 3.46Å; H228-A232 PolarHBondContact O-N 3.46Å; H228-A232 VanDerWaalsContact O-N 3.13Å; E229-A232 PolarHBondContact O-N 3.42Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.03Å; A232-E235 PolarHBondContact O-N 3.14Å; A232-E236 WeakPolarHBondContact O-CG 3.36Å; A232-E236 PolarHBondContact O-N 3.11Å |
| 233 | E | 63.9 | Low | 60.4 | Low | 140 Ų | 140 | 109.9 Ų | 109.9 | 65% | 0.654 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -36.4 | 175.1 | -75.1 | -178.1 | -177.4 | 0 | 0 | 112 | E229 E230 A237 | E229-E233 WeakPolarHBondContact O-CB 3.37Å; E229-E233 WeakPolarHBondContact O-CG 3.49Å; E229-E233 PolarHBondContact O-N 3.38Å; E230-E233 PolarHBondContact O-N 2.62Å; E233-A237 VanDerWaalsContact O-CB 3.31Å; E233-A237 WeakPolarHBondContact O-CB 3.03Å; E233-A237 PolarHBondContact O-N 3.22Å |
| 234 | E | 63.6 | Low | 62 | Low | 132 Ų | 132 | 105 Ų | 105 | 62% | 0.617 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.3 | -38.7 | 174.1 | -75 | -168.8 | 158.8 | 0 | 0 | 112.6 | E230 A238 | E230-E234 PolarHBondContact O-N 2.79Å; E234-A238 WeakPolarHBondContact O-CB 3.29Å; E234-A238 PolarHBondContact O-N 3.2Å |
| 235 | E | 61.2 | Low | 63.9 | Low | 153 Ų | 153 | 103.9 Ų | 103.9 | 72% | 0.715 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.9 | -40.7 | 175.1 | -78.9 | -165.8 | 161.7 | 0 | 0 | 112.4 | E231 A232 A238 S239 | E231-E235 PolarHBondContact O-N 2.88Å; E231-E235 VanDerWaalsContact O-N 3.14Å; A232-E235 PolarHBondContact O-N 3.14Å; E235-A238 PolarHBondContact O-N 3.45Å; E235-S239 PolarHBondContact O-N 3.46Å; E235-S239 PolarHBondContact O-OG 3.28Å |
| 236 | E | 59.5 | Low | 65.6 | Low | 131 Ų | 131 | 102.5 Ų | 102.5 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.9 | -47.6 | 174.9 | -76.7 | -167.4 | 170.3 | 0 | 0 | 111 | A232 A238 S239 E240 | A232-E236 WeakPolarHBondContact O-CG 3.36Å; A232-E236 PolarHBondContact O-N 3.11Å; E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 3.13Å; E236-S239 PolarHBondContact O-N 3.05Å; E236-S239 VanDerWaalsContact O-N 3.13Å; E236-S239 PolarHBondContact O-OG 3.35Å; E236-E240 WeakPolarHBondContact O-CG 3.04Å; E236-E240 PolarHBondContact O-N 3.32Å |
| 237 | A | 62.8 | Low | 67.3 | Low | 56 Ų | 56 | 107.4 Ų | 107.4 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -31.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E233 Q241 | E233-A237 VanDerWaalsContact O-CB 3.31Å; E233-A237 WeakPolarHBondContact O-CB 3.03Å; E233-A237 PolarHBondContact O-N 3.22Å; A237-Q241 WeakPolarHBondContact O-CB 3.31Å; A237-Q241 PolarHBondContact O-N 3.4Å |
| 238 | A | 59.4 | Low | 69.4 | Low | 56 Ų | 56 | 106.6 Ų | 106.6 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.3 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | E234 E235 E236 Q241 E242 | E234-A238 WeakPolarHBondContact O-CB 3.29Å; E234-A238 PolarHBondContact O-N 3.2Å; E235-A238 PolarHBondContact O-N 3.45Å; E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 3.13Å; A238-Q241 PolarHBondContact O-N 3.49Å; A238-E242 PolarHBondContact O-N 3.36Å |
| 239 | S | 59.9 | Low | 71.3 | Confident | 65 Ų | 65 | 105.2 Ų | 105.2 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 177.3 | 71.6 | 0 | 0 | 0 | 0 | 113 | E235 E236 Q241 E242 D243 | E235-S239 PolarHBondContact O-N 3.46Å; E235-S239 PolarHBondContact O-OG 3.28Å; E236-S239 PolarHBondContact O-N 3.05Å; E236-S239 VanDerWaalsContact O-N 3.13Å; E236-S239 PolarHBondContact O-OG 3.35Å; S239-Q241 VanDerWaalsContact C-N 3.27Å; S239-Q241 PolarHBondContact O-N 3.12Å; S239-E242 PolarHBondContact O-N 2.99Å; S239-D243 PolarHBondContact O-N 2.91Å |
| 240 | E | 69.2 | Low | 73 | Confident | 142 Ų | 142 | 105.6 Ų | 105.6 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.9 | -31.7 | 174 | -70.3 | -173.4 | 149.7 | 0 | 0 | 111.8 | E236 G244 | E236-E240 WeakPolarHBondContact O-CG 3.04Å; E236-E240 PolarHBondContact O-N 3.32Å; E240-G244 PolarHBondContact O-N 3.34Å; E240-G244 VanDerWaalsContact O-N 3.07Å |
| 241 | Q | 70.9 | Confident | 74.7 | Confident | 146 Ų | 146 | 104.2 Ų | 104.2 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.4 | -40.9 | 174.3 | 176.8 | 170.9 | 97.1 | 0 | 0 | 112 | A237 A238 S239 G244 V245 | A237-Q241 WeakPolarHBondContact O-CB 3.31Å; A237-Q241 PolarHBondContact O-N 3.4Å; A238-Q241 PolarHBondContact O-N 3.49Å; S239-Q241 VanDerWaalsContact C-N 3.27Å; S239-Q241 PolarHBondContact O-N 3.12Å; Q241-G244 PolarHBondContact O-N 2.87Å; Q241-V245 WeakPolarHBondContact O-CG2 3.35Å; Q241-V245 PolarHBondContact O-N 3.49Å; Q241-V245 VanDerWaalsContact O-N 3.13Å |
| 242 | E | 65.1 | Low | 76.5 | Confident | 135 Ų | 135 | 104.7 Ų | 104.7 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.5 | -47.8 | 176.4 | -168.5 | 169.9 | -171.5 | 0 | 0 | 111.1 | A238 S239 G244 V245 D246 | A238-E242 PolarHBondContact O-N 3.36Å; S239-E242 PolarHBondContact O-N 2.99Å; E242-G244 VanDerWaalsContact C-N 3.26Å; E242-G244 PolarHBondContact O-N 3.36Å; E242-V245 PolarHBondContact O-N 2.9Å; E242-D246 PolarHBondContact O-N 3.41Å |
| 243 | D | 80 | Confident | 78 | Confident | 111 Ų | 111 | 107.7 Ų | 107.7 | 59% | 0.594 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.6 | -37.8 | 174.4 | -176.4 | 66.4 | 0 | 0 | 0 | 112.2 | S239 V245 D246 R247 | S239-D243 PolarHBondContact O-N 2.91Å; D243-V245 VanDerWaalsContact C-N 3.33Å; D243-V245 PolarHBondContact O-N 3.14Å; D243-D246 PolarHBondContact O-N 3.49Å; D243-R247 VanDerWaalsContact O-CB 3.25Å; D243-R247 WeakPolarHBondContact O-CB 3.47Å; D243-R247 PolarHBondContact O-N 3.49Å |
| 244 | G | 82.9 | Confident | 79.6 | Confident | 27 Ų | 27 | 105.3 Ų | 105.3 | 28% | 0.278 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E240 Q241 E242 L248 | E240-G244 PolarHBondContact O-N 3.34Å; E240-G244 VanDerWaalsContact O-N 3.07Å; Q241-G244 PolarHBondContact O-N 2.87Å; E242-G244 VanDerWaalsContact C-N 3.26Å; E242-G244 PolarHBondContact O-N 3.36Å; G244-L248 WeakPolarHBondContact O-CB 3.29Å; G244-L248 WeakPolarHBondContact O-CD1 3.26Å; G244-L248 WeakPolarHBondContact O-CG 3.29Å; G244-L248 PolarHBondContact O-N 2.89Å; G244-L248 VanDerWaalsContact O-N 3.14Å |
| 245 | V | 86.5 | Confident | 81.2 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.7 | -45.7 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | Q241 E242 D243 R247 L248 E249 | Q241-V245 WeakPolarHBondContact O-CG2 3.35Å; Q241-V245 PolarHBondContact O-N 3.49Å; Q241-V245 VanDerWaalsContact O-N 3.13Å; E242-V245 PolarHBondContact O-N 2.9Å; D243-V245 VanDerWaalsContact C-N 3.33Å; D243-V245 PolarHBondContact O-N 3.14Å; V245-R247 VanDerWaalsContact C-N 3.31Å; V245-R247 PolarHBondContact O-N 3.29Å; V245-L248 WeakPolarHBondContact O-CB 3.47Å; V245-L248 PolarHBondContact O-N 2.95Å; V245-L248 VanDerWaalsContact O-N 3.1Å; V245-E249 PolarHBondContact O-N 3.46Å |
| 246 | D | 87.4 | Confident | 82.9 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.9 | -68.4 | -16.9 | 0 | 0 | 0 | 111.1 | E242 D243 L248 E249 H250 | E242-D246 PolarHBondContact O-N 3.41Å; D243-D246 PolarHBondContact O-N 3.49Å; D246-L248 VanDerWaalsContact C-N 3.33Å; D246-L248 PolarHBondContact O-N 3.29Å; D246-E249 PolarHBondContact O-N 2.93Å; D246-H250 WeakPolarHBondContact O-CB 3.47Å; D246-H250 PolarHBondContact O-N 2.87Å |
| 247 | R | 91.6 | Very high | 84.8 | Confident | 161 Ų | 161 | 103.3 Ų | 103.3 | 61% | 0.608 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -38 | 174.1 | -175.5 | 173.5 | 170.5 | -81.5 | -3.8 | 112.6 | D243 V245 M251 | D243-R247 VanDerWaalsContact O-CB 3.25Å; D243-R247 WeakPolarHBondContact O-CB 3.47Å; D243-R247 PolarHBondContact O-N 3.49Å; V245-R247 VanDerWaalsContact C-N 3.31Å; V245-R247 PolarHBondContact O-N 3.29Å; R247-M251 VanDerWaalsContact O-CG 3.32Å; R247-M251 WeakPolarHBondContact O-CG 3.15Å; R247-M251 PolarHBondContact O-N 3.34Å; R247-M251 VanDerWaalsContact O-N 3.13Å |
| 248 | L | 95.6 | Very high | 86.4 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.2 | -41.9 | 176.1 | -86.9 | 159.6 | 0 | 0 | 0 | 111.9 | G244 V245 D246 M251 E252 | G244-L248 WeakPolarHBondContact O-CB 3.29Å; G244-L248 WeakPolarHBondContact O-CD1 3.26Å; G244-L248 WeakPolarHBondContact O-CG 3.29Å; G244-L248 PolarHBondContact O-N 2.89Å; G244-L248 VanDerWaalsContact O-N 3.14Å; V245-L248 WeakPolarHBondContact O-CB 3.47Å; V245-L248 PolarHBondContact O-N 2.95Å; V245-L248 VanDerWaalsContact O-N 3.1Å; D246-L248 VanDerWaalsContact C-N 3.33Å; D246-L248 PolarHBondContact O-N 3.29Å; L248-M251 PolarHBondContact O-N 3.36Å; L248-E252 PolarHBondContact O-N 2.88Å |
| 249 | E | 94.4 | Very high | 88.1 | Confident | 111 Ų | 111 | 105.1 Ų | 105.1 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 176.1 | -176.5 | 166.7 | -151.5 | 0 | 0 | 110.7 | V245 D246 M251 E252 E253 | V245-E249 PolarHBondContact O-N 3.46Å; D246-E249 PolarHBondContact O-N 2.93Å; E249-M251 VanDerWaalsContact C-N 3.32Å; E249-M251 PolarHBondContact O-N 2.98Å; E249-E252 WeakPolarHBondContact O-CB 3.13Å; E249-E252 PolarHBondContact O-N 3.02Å; E249-E252 VanDerWaalsContact O-N 3.07Å; E249-E253 PolarHBondContact O-N 3.37Å |
| 250 | H | 94.3 | Very high | 89.8 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 175.4 | -172.6 | 78.2 | 0 | 0 | 0 | 112.2 | D246 E252 E253 Q254 | D246-H250 WeakPolarHBondContact O-CB 3.47Å; D246-H250 PolarHBondContact O-N 2.87Å; H250-E252 VanDerWaalsContact C-N 3.31Å; H250-E252 PolarHBondContact O-N 3.3Å; H250-E253 PolarHBondContact O-N 2.67Å; H250-Q254 PolarHBondContact CE1-NE2 3.15Å; H250-Q254 PolarHBondContact NE2-NE2 2.95Å; H250-Q254 VanDerWaalsContact NE2-NE2 3.12Å; H250-Q254 WeakPolarHBondContact O-CG 3.45Å; H250-Q254 PolarHBondContact O-N 3.46Å |
| 251 | M | 95.9 | Very high | 91 | Very high | 90 Ų | 90 | 103.7 Ų | 103.7 | 44% | 0.443 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 176.2 | -74.8 | -176.6 | 68.1 | 0 | 0 | 112.5 | R247 L248 E249 Q254 L255 | R247-M251 VanDerWaalsContact O-CG 3.32Å; R247-M251 WeakPolarHBondContact O-CG 3.15Å; R247-M251 PolarHBondContact O-N 3.34Å; R247-M251 VanDerWaalsContact O-N 3.13Å; L248-M251 PolarHBondContact O-N 3.36Å; E249-M251 VanDerWaalsContact C-N 3.32Å; E249-M251 PolarHBondContact O-N 2.98Å; M251-Q254 PolarHBondContact O-N 2.92Å; M251-L255 WeakPolarHBondContact O-CB 3.24Å; M251-L255 WeakPolarHBondContact O-CG 3.32Å; M251-L255 PolarHBondContact O-N 3.39Å |
| 252 | E | 96.6 | Very high | 92.1 | Very high | 103 Ų | 103 | 102.2 Ų | 102.2 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.5 | -168.6 | -171.6 | 155.4 | 0 | 0 | 111.6 | L248 E249 H250 L255 K256 | L248-E252 PolarHBondContact O-N 2.88Å; E249-E252 WeakPolarHBondContact O-CB 3.13Å; E249-E252 PolarHBondContact O-N 3.02Å; E249-E252 VanDerWaalsContact O-N 3.07Å; H250-E252 VanDerWaalsContact C-N 3.31Å; H250-E252 PolarHBondContact O-N 3.3Å; E252-L255 PolarHBondContact O-N 3.42Å; E252-K256 HydrophobicContact CG-CD 4.39Å; E252-K256 WeakPolarHBondContact O-CB 3.36Å; E252-K256 WeakPolarHBondContact O-CG 3.31Å; E252-K256 PolarHBondContact O-N 3.45Å; E252-K256 WeakPolarHBondContact OE1-CE 3.27Å; E252-K256 IonicContact OE1-NZ 2.84Å; E252-K256 PolarHBondContact OE1-NZ 3.11Å |
| 253 | E | 97.1 | Very high | 93.4 | Very high | 113 Ų | 113 | 97.7 Ų | 97.7 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 176.4 | -68.7 | -171.1 | 155.4 | 0 | 0 | 112.1 | E249 H250 L255 K256 K257 | E249-E253 PolarHBondContact O-N 3.37Å; H250-E253 PolarHBondContact O-N 2.67Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 2.85Å; E253-K256 PolarHBondContact O-N 3.01Å; E253-K257 WeakPolarHBondContact O-CB 3.29Å; E253-K257 PolarHBondContact O-N 2.68Å |
| 254 | Q | 97.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 97.5 Ų | 97.5 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.5 | -65.1 | -64.6 | -10.6 | 0 | 0 | 111.7 | H250 M251 K257 A258 | H250-Q254 PolarHBondContact CE1-NE2 3.15Å; H250-Q254 PolarHBondContact NE2-NE2 2.95Å; H250-Q254 VanDerWaalsContact NE2-NE2 3.12Å; H250-Q254 WeakPolarHBondContact O-CG 3.45Å; H250-Q254 PolarHBondContact O-N 3.46Å; M251-Q254 PolarHBondContact O-N 2.92Å; Q254-K257 PolarHBondContact O-N 3.44Å; Q254-A258 WeakPolarHBondContact O-CB 3.4Å; Q254-A258 PolarHBondContact O-N 3.32Å |
| 255 | L | 97.6 | Very high | 94 | Very high | 113 Ų | 113 | 98.9 Ų | 98.9 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -42.3 | 176.2 | -77.4 | 168.5 | 0 | 0 | 0 | 112 | M251 E252 E253 K257 A258 T259 | M251-L255 WeakPolarHBondContact O-CB 3.24Å; M251-L255 WeakPolarHBondContact O-CG 3.32Å; M251-L255 PolarHBondContact O-N 3.39Å; E252-L255 PolarHBondContact O-N 3.42Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 2.85Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 3.37Å; L255-A258 PolarHBondContact O-N 2.75Å; L255-T259 WeakPolarHBondContact O-CB 3.4Å; L255-T259 PolarHBondContact O-N 2.06Å; L255-T259 PolarHBondContact O-OG1 3.1Å |
| 256 | K | 97.5 | Very high | 94 | Very high | 129 Ų | 129 | 100.1 Ų | 100.1 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 173.6 | -81.8 | 167.7 | 170.6 | 160.7 | 0 | 111.1 | E252 E253 T259 A260 | E252-K256 HydrophobicContact CG-CD 4.39Å; E252-K256 WeakPolarHBondContact O-CB 3.36Å; E252-K256 WeakPolarHBondContact O-CG 3.31Å; E252-K256 PolarHBondContact O-N 3.45Å; E252-K256 WeakPolarHBondContact OE1-CE 3.27Å; E252-K256 IonicContact OE1-NZ 2.84Å; E252-K256 PolarHBondContact OE1-NZ 3.11Å; E253-K256 PolarHBondContact O-N 3.01Å; K256-T259 PolarHBondContact O-N 2.86Å; K256-A260 WeakPolarHBondContact O-CB 3.37Å; K256-A260 PolarHBondContact O-N 3.47Å |
| 257 | K | 97.8 | Very high | 93.8 | Very high | 132 Ų | 132 | 99.4 Ų | 99.4 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -48.8 | 177.7 | -175 | 179 | 179.8 | -178.9 | 0 | 112 | E253 Q254 L255 T259 A260 M261 | E253-K257 WeakPolarHBondContact O-CB 3.29Å; E253-K257 PolarHBondContact O-N 2.68Å; Q254-K257 PolarHBondContact O-N 3.44Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 3.37Å; K257-T259 VanDerWaalsContact C-N 3.3Å; K257-T259 PolarHBondContact O-N 2.9Å; K257-A260 PolarHBondContact O-N 2.87Å; K257-M261 HydrophobicContact CG-SD 4.42Å; K257-M261 WeakPolarHBondContact O-CG 3.36Å; K257-M261 PolarHBondContact O-N 2.77Å |
| 258 | A | 96.9 | Very high | 93 | Very high | 57 Ų | 57 | 101 Ų | 101 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q254 L255 M261 L262 | Q254-A258 WeakPolarHBondContact O-CB 3.4Å; Q254-A258 PolarHBondContact O-N 3.32Å; L255-A258 PolarHBondContact O-N 2.75Å; A258-M261 PolarHBondContact O-N 3.41Å; A258-L262 WeakPolarHBondContact O-CB 3.33Å; A258-L262 PolarHBondContact O-N 2.67Å |
| 259 | T | 95.9 | Very high | 92 | Very high | 93 Ų | 93 | 103.5 Ų | 103.5 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 178 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | L255 K256 K257 L262 G263 | L255-T259 WeakPolarHBondContact O-CB 3.4Å; L255-T259 PolarHBondContact O-N 2.06Å; L255-T259 PolarHBondContact O-OG1 3.1Å; K256-T259 PolarHBondContact O-N 2.86Å; K257-T259 VanDerWaalsContact C-N 3.3Å; K257-T259 PolarHBondContact O-N 2.9Å; T259-L262 PolarHBondContact O-N 3.13Å; T259-G263 PolarHBondContact O-N 3.38Å |
| 260 | A | 95.6 | Very high | 90 | Very high | 56 Ų | 56 | 104.1 Ų | 104.1 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.5 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K256 K257 L262 G263 E264 | K256-A260 WeakPolarHBondContact O-CB 3.37Å; K256-A260 PolarHBondContact O-N 3.47Å; K257-A260 PolarHBondContact O-N 2.87Å; A260-L262 VanDerWaalsContact C-N 3.34Å; A260-L262 PolarHBondContact O-N 3.45Å; A260-G263 PolarHBondContact O-N 3.4Å; A260-E264 PolarHBondContact O-N 3.39Å |
| 261 | M | 94.3 | Very high | 89.7 | Confident | 122 Ų | 122 | 104.2 Ų | 104.2 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.9 | -40.7 | 176.6 | -70.4 | 178.6 | 63.7 | 0 | 0 | 112.4 | K257 A258 E264 A265 | K257-M261 HydrophobicContact CG-SD 4.42Å; K257-M261 WeakPolarHBondContact O-CG 3.36Å; K257-M261 PolarHBondContact O-N 2.77Å; A258-M261 PolarHBondContact O-N 3.41Å; M261-E264 PolarHBondContact O-N 2.87Å; M261-A265 WeakPolarHBondContact O-CB 3.42Å; M261-A265 PolarHBondContact O-N 3.07Å |
| 262 | L | 94.5 | Very high | 89.4 | Confident | 115 Ų | 115 | 104.9 Ų | 104.9 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.4 | -43.5 | 175.9 | -162.8 | 88.6 | 0 | 0 | 0 | 111.1 | A258 T259 A260 E264 A265 L266 | A258-L262 WeakPolarHBondContact O-CB 3.33Å; A258-L262 PolarHBondContact O-N 2.67Å; T259-L262 PolarHBondContact O-N 3.13Å; A260-L262 VanDerWaalsContact C-N 3.34Å; A260-L262 PolarHBondContact O-N 3.45Å; L262-E264 VanDerWaalsContact C-N 3.35Å; L262-E264 PolarHBondContact O-N 3.21Å; L262-A265 PolarHBondContact O-N 3.34Å; L262-L266 HydrophobicContact CD2-CD1 4.38Å; L262-L266 HydrophobicContact CG-CD1 4.33Å; L262-L266 VanDerWaalsContact O-CG 3.29Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 3.23Å |
| 263 | G | 92.5 | Very high | 89 | Confident | 39 Ų | 39 | 105 Ų | 105 | 40% | 0.402 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.8 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T259 A260 A267 | T259-G263 PolarHBondContact O-N 3.38Å; A260-G263 PolarHBondContact O-N 3.4Å; G263-A267 WeakPolarHBondContact O-CB 3.12Å; G263-A267 PolarHBondContact O-N 2.94Å |
| 264 | E | 89.8 | Confident | 88.5 | Confident | 108 Ų | 108 | 104.5 Ų | 104.5 | 51% | 0.505 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.5 | -40.1 | 174.2 | -76.9 | -170.1 | -162.6 | 0 | 0 | 113.1 | A260 M261 L262 A267 R268 | A260-E264 PolarHBondContact O-N 3.39Å; M261-E264 PolarHBondContact O-N 2.87Å; L262-E264 VanDerWaalsContact C-N 3.35Å; L262-E264 PolarHBondContact O-N 3.21Å; E264-A267 PolarHBondContact O-N 3.34Å; E264-R268 VanDerWaalsContact O-CG 3.3Å; E264-R268 WeakPolarHBondContact O-CG 3.37Å; E264-R268 PolarHBondContact O-N 3.46Å; E264-R268 IonicContact OE2-CZ 3.98Å; E264-R268 IonicContact OE2-NH2 2.86Å; E264-R268 PolarHBondContact OE2-NH2 3.45Å |
| 265 | A | 84.9 | Confident | 88 | Confident | 55 Ų | 55 | 105.5 Ų | 105.5 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | M261 L262 A267 R268 E269 | M261-A265 WeakPolarHBondContact O-CB 3.42Å; M261-A265 PolarHBondContact O-N 3.07Å; L262-A265 PolarHBondContact O-N 3.34Å; A265-A267 VanDerWaalsContact C-N 3.33Å; A265-A267 PolarHBondContact O-N 3.49Å; A265-R268 PolarHBondContact O-N 3.23Å; A265-E269 PolarHBondContact O-N 3.02Å |
| 266 | L | 87.4 | Confident | 87.3 | Confident | 108 Ų | 108 | 105 Ų | 105 | 57% | 0.565 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.6 | -35.8 | 177.4 | -68.5 | 170.7 | 0 | 0 | 0 | 112.4 | L262 R268 E269 G270 | L262-L266 HydrophobicContact CD2-CD1 4.38Å; L262-L266 HydrophobicContact CG-CD1 4.33Å; L262-L266 VanDerWaalsContact O-CG 3.29Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 3.23Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 3.43Å; L266-E269 PolarHBondContact O-N 3.31Å; L266-G270 PolarHBondContact O-N 3.14Å |
| 267 | A | 82.2 | Confident | 86.6 | Confident | 76 Ų | 76 | 103.3 Ų | 103.3 | 63% | 0.628 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.7 | -20.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G263 E264 A265 | G263-A267 WeakPolarHBondContact O-CB 3.12Å; G263-A267 PolarHBondContact O-N 2.94Å; E264-A267 PolarHBondContact O-N 3.34Å; A265-A267 VanDerWaalsContact C-N 3.33Å; A265-A267 PolarHBondContact O-N 3.49Å |
| 268 | R | 75.6 | Confident | 85.8 | Confident | 193 Ų | 193 | 101.1 Ų | 101.1 | 73% | 0.728 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -89 | -17.3 | 175.9 | -66.7 | 172.9 | -155.9 | -158.5 | 8.3 | 112.9 | E264 A265 L266 | E264-R268 VanDerWaalsContact O-CG 3.3Å; E264-R268 WeakPolarHBondContact O-CG 3.37Å; E264-R268 PolarHBondContact O-N 3.46Å; E264-R268 IonicContact OE2-CZ 3.98Å; E264-R268 IonicContact OE2-NH2 2.86Å; E264-R268 PolarHBondContact OE2-NH2 3.45Å; A265-R268 PolarHBondContact O-N 3.23Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 3.43Å |
| 269 | E | 72.8 | Confident | 84.8 | Confident | 168 Ų | 168 | 104.8 Ų | 104.8 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -94.9 | -14.5 | -177.4 | -163.4 | 169.2 | -163.3 | 0 | 0 | 113.4 | A265 L266 | A265-E269 PolarHBondContact O-N 3.02Å; L266-E269 PolarHBondContact O-N 3.31Å |
| 270 | G | 52.5 | Low | 83.8 | Confident | 124 Ų | 124 | 105.8 Ų | 105.8 | 100% | 1.278 | 64% | 0.637 | S | S | * | * | trans | -91.7 | 0 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L266 | L266-G270 PolarHBondContact O-N 3.14Š|
Retrieved 270 of 270 residues in 35.6 ms
(Link to these results)