| 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 | 44.4 | Very low | 42 | Very low | 243 Ų | 243 | 136.9 Ų | 136.9 | 100% | 1.197 | 87% | 0.871 | S | S | * | * | 0 | 122.2 | 0 | -79.2 | 174.5 | 158.6 | 0 | 0 | 107.8 | |||||
| 2 | S | 42.9 | Very low | 41.8 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 86% | 0.86 | 87% | 0.866 | S | S | * | * | trans | 8.3 | 111.3 | 172 | -43.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 3 | T | 45.3 | Very low | 42.2 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 83% | 0.834 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 139.1 | 160.5 | 40.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 4 | P | 39.7 | Very low | 42.3 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -85 | 148.1 | -179.8 | 32.9 | -31.4 | 0 | 0 | 0 | 111.8 | ||
| 5 | P | 49.3 | Very low | 42.3 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 126.7 | -175.6 | 33.2 | -30.6 | 0 | 0 | 0 | 111.6 | A7 | P5-A7 PolarHBondContact O-N 3.36Š|
| 6 | L | 48.2 | Very low | 42 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 94% | 0.942 | 85% | 0.851 | S | S | * | * | trans | -82.4 | 103.1 | 167.9 | -77.8 | 160.8 | 0 | 0 | 0 | 108.6 | ||||
| 7 | A | 41.3 | Very low | 42 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 85% | 0.851 | S | S | * | * | trans | -72 | 127.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P5 | P5-A7 PolarHBondContact O-N 3.36Š| ||
| 8 | A | 40.2 | Very low | 41.7 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 87% | 0.868 | 84% | 0.838 | S | S | * | * | trans | -66.5 | 132.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 9 | S | 38.7 | Very low | 41.8 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -160.8 | 133.5 | 161.2 | 48.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 10 | G | 34.1 | Very low | 41.9 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | cis | -169.6 | 158.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 11 | M | 37.5 | Very low | 42.2 | Very low | 189 Ų | 189 | 128 Ų | 128 | 93% | 0.931 | 83% | 0.832 | S | S | * | * | trans | -51.9 | 141.4 | -178.5 | -80.7 | 107.6 | 114.9 | 0 | 0 | 114.8 | ||||
| 12 | A | 39.7 | Very low | 42.1 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -131.5 | 110.3 | 145 | 0 | 0 | 0 | 0 | 0 | 108.3 | G14 | A12-G14 PolarHBondContact O-N 2.87Š| ||
| 13 | P | 47 | Very low | 42.2 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -85.3 | 105.6 | 176.9 | 30.7 | -25.7 | 0 | 0 | 0 | 109.4 | ||||
| 14 | G | 44.4 | Very low | 42.2 | Very low | 69 Ų | 69 | 124.6 Ų | 124.6 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -93.3 | 143.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A12 | A12-G14 PolarHBondContact O-N 2.87Š| ||
| 15 | P | 41.3 | Very low | 42.7 | Very low | 114 Ų | 114 | 123 Ų | 123 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | -87.7 | 143.5 | -164.6 | 33.5 | -32.8 | 0 | 0 | 0 | 114.3 | ||||
| 16 | F | 38.4 | Very low | 43 | Very low | 214 Ų | 214 | 127.9 Ų | 127.9 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | 38.7 | 91.9 | 148.8 | -66.4 | -86.1 | 0 | 0 | 0 | 117.8 | ||||
| 17 | A | 42.3 | Very low | 43.6 | Very low | 104 Ų | 104 | 128 Ų | 128 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -119.4 | 135.9 | 155 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 18 | G | 35.3 | Very low | 44.9 | Very low | 59 Ų | 59 | 127.1 Ų | 127.1 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | -65.7 | -179.5 | -157.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q20 | G18-Q20 VanDerWaalsContact C-N 3.3Å; G18-Q20 PolarHBondContact O-N 2.91Å | ||
| 19 | P | 43.9 | Very low | 47 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -77.5 | 75.3 | -169.1 | 34.2 | -34.7 | 0 | 0 | 0 | 111.2 | A21 | P19-A21 VanDerWaalsContact C-N 3.3Š| ||
| 20 | Q | 44 | Very low | 49.3 | Very low | 182 Ų | 182 | 123.2 Ų | 123.2 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -86.8 | -1 | 165.9 | -91.5 | 173.7 | -40.9 | 0 | 0 | 112.8 | G18 Q22 | G18-Q20 VanDerWaalsContact C-N 3.3Å; G18-Q20 PolarHBondContact O-N 2.91Å; Q20-Q22 VanDerWaalsContact C-N 3.3Å; Q20-Q22 PolarHBondContact O-N 3.3Å | ||
| 21 | A | 47.7 | Very low | 51.8 | Low | 91 Ų | 91 | 122.8 Ų | 122.8 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -7.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P19 | P19-A21 VanDerWaalsContact C-N 3.3Š|
| 22 | Q | 42 | Very low | 54.4 | Low | 169 Ų | 169 | 115.9 Ų | 115.9 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -7.9 | -174.4 | -138.1 | 96.5 | 5.3 | 0 | 0 | 114.9 | Q20 | Q20-Q22 VanDerWaalsContact C-N 3.3Å; Q20-Q22 PolarHBondContact O-N 3.3Å |
| 23 | Q | 45.2 | Very low | 56.9 | Low | 179 Ų | 179 | 111.9 Ų | 111.9 | 84% | 0.836 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -103.9 | 0.6 | 179.2 | -97.4 | 177.1 | -7.2 | 0 | 0 | 114.5 | A25 | Q23-A25 PolarHBondContact O-N 3.44Š|
| 24 | A | 46.8 | Very low | 59.1 | Low | 83 Ų | 83 | 108.9 Ų | 108.9 | 69% | 0.686 | 65% | 0.646 | S | S | * | * | trans | -73.3 | 40.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R26 | A24-R26 PolarHBondContact O-N 3.18Š| ||
| 25 | A | 49.9 | Very low | 61.5 | Low | 81 Ų | 81 | 114 Ų | 114 | 67% | 0.669 | 64% | 0.644 | S | S | * | * | trans | -64.7 | 74.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q23 E27 | Q23-A25 PolarHBondContact O-N 3.44Å; A25-E27 PolarHBondContact O-N 2.94Å; A25-E27 VanDerWaalsContact O-N 3.12Å | ||
| 26 | R | 55.4 | Low | 64.1 | Low | 228 Ų | 228 | 111.4 Ų | 111.4 | 86% | 0.86 | 62% | 0.623 | S | S | * | * | trans | 40.7 | 55.8 | 166.3 | -58.1 | -175 | 177.8 | -177.6 | -0.3 | 113.5 | A24 V28 | A24-R26 PolarHBondContact O-N 3.18Å; R26-V28 PolarHBondContact O-N 2.99Å | ||
| 27 | E | 60.2 | Low | 66.8 | Low | 182 Ų | 182 | 101.7 Ų | 101.7 | 85% | 0.85 | 58% | 0.584 | S | S | * | * | trans | -53.4 | 113.3 | 157.5 | -73.4 | -173.2 | 173.6 | 0 | 0 | 106.5 | A25 N29 | A25-E27 PolarHBondContact O-N 2.94Å; A25-E27 VanDerWaalsContact O-N 3.12Å; E27-N29 PolarHBondContact O-N 3.42Å | ||
| 28 | V | 69.2 | Low | 69.4 | Low | 77 Ų | 77 | 101.9 Ų | 101.9 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | trans | -63.6 | 108.9 | -172.9 | -177.5 | 0 | 0 | 0 | 0 | 106.6 | R26 T30 S32 L33 | R26-V28 PolarHBondContact O-N 2.99Å; V28-T30 PolarHBondContact O-N 3.34Å; V28-S32 WeakPolarHBondContact CG1-OG 3.3Å; V28-L33 HydrophobicContact CB-CD2 4.46Å; V28-L33 HydrophobicContact CG1-CD1 4.47Å; V28-L33 HydrophobicContact CG1-CD2 3.6Å; V28-L33 HydrophobicContact CG1-CG 3.77Å | ||
| 29 | N | 83.3 | Confident | 72.4 | Confident | 106 Ų | 106 | 103.1 Ų | 103.1 | 57% | 0.567 | 56% | 0.557 | S | S | * | * | trans | -53.2 | 129 | -177.2 | 178.6 | -9 | 0 | 0 | 0 | 109.4 | E27 A31 S32 L33 | E27-N29 PolarHBondContact O-N 3.42Å; N29-A31 PolarHBondContact O-N 3.16Å; N29-A31 VanDerWaalsContact O-N 3.13Å; N29-A31 PolarHBondContact OD1-N 2.78Å; N29-S32 WeakPolarHBondContact O-CA 3.49Å; N29-S32 WeakPolarHBondContact O-CB 3.48Å; N29-S32 PolarHBondContact O-N 3.17Å; N29-S32 PolarHBondContact O-OG 3.25Å; N29-L33 PolarHBondContact O-N 2.76Å | ||
| 30 | T | 87 | Confident | 75 | Confident | 39 Ų | 39 | 97.2 Ų | 97.2 | 24% | 0.239 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -51 | -39.1 | 179.1 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | V28 S32 L33 C34 N102 C103 | V28-T30 PolarHBondContact O-N 3.34Å; T30-S32 VanDerWaalsContact C-N 3.26Å; T30-S32 PolarHBondContact O-N 3.18Å; T30-L33 WeakPolarHBondContact O-CB 3.25Å; T30-L33 PolarHBondContact O-N 2.95Å; T30-L33 VanDerWaalsContact O-N 3.1Å; T30-C34 PolarHBondContact O-N 3.43Å; T30-C34 PolarHBondContact O-SG 3.02Å; T30-C34 VanDerWaalsContact O-SG 3.33Å; T30-N102 HydrophobicContact CG2-CB 4.14Å; T30-N102 WeakPolarHBondContact OG1-CB 3.39Å; T30-N102 PolarHBondContact OG1-ND2 3.13Å; T30-C103 VanDerWaalsContact CG2-SG 3.54Å |
| 31 | A | 88.2 | Confident | 77.6 | Confident | 63 Ų | 63 | 91.8 Ų | 91.8 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -36.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N29 C34 R35 | N29-A31 PolarHBondContact O-N 3.16Å; N29-A31 VanDerWaalsContact O-N 3.13Å; N29-A31 PolarHBondContact OD1-N 2.78Å; A31-C34 PolarHBondContact O-N 2.96Å; A31-R35 PolarHBondContact O-N 3.47Å |
| 32 | S | 91.6 | Very high | 80 | Confident | 45 Ų | 45 | 91.1 Ų | 91.1 | 32% | 0.315 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.4 | -38.4 | 175.3 | 73.5 | 0 | 0 | 0 | 0 | 112 | V28 N29 T30 R35 I36 | V28-S32 WeakPolarHBondContact CG1-OG 3.3Å; N29-S32 WeakPolarHBondContact O-CA 3.49Å; N29-S32 WeakPolarHBondContact O-CB 3.48Å; N29-S32 PolarHBondContact O-N 3.17Å; N29-S32 PolarHBondContact O-OG 3.25Å; T30-S32 VanDerWaalsContact C-N 3.26Å; T30-S32 PolarHBondContact O-N 3.18Å; S32-R35 PolarHBondContact O-N 3.16Å; S32-I36 WeakPolarHBondContact O-CD1 3.38Å; S32-I36 VanDerWaalsContact O-CG1 3.25Å; S32-I36 WeakPolarHBondContact O-CG1 3.5Å; S32-I36 PolarHBondContact O-N 3.22Å |
| 33 | L | 92.5 | Very high | 82.6 | Confident | 13 Ų | 13 | 86.6 Ų | 86.6 | 7% | 0.068 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 173.1 | -66.3 | 173.5 | 0 | 0 | 0 | 111.2 | V28 N29 T30 R35 I36 G37 V95 K98 C99 | V28-L33 HydrophobicContact CB-CD2 4.46Å; V28-L33 HydrophobicContact CG1-CD1 4.47Å; V28-L33 HydrophobicContact CG1-CD2 3.6Å; V28-L33 HydrophobicContact CG1-CG 3.77Å; N29-L33 PolarHBondContact O-N 2.76Å; T30-L33 WeakPolarHBondContact O-CB 3.25Å; T30-L33 PolarHBondContact O-N 2.95Å; T30-L33 VanDerWaalsContact O-N 3.1Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.5Å; L33-I36 PolarHBondContact O-N 3.32Å; L33-G37 PolarHBondContact O-N 3.34Å; L33-V95 HydrophobicContact CB-CG1 4.42Å; L33-V95 WeakPolarHBondContact O-CG1 3.38Å; L33-K98 HydrophobicContact CD1-CB 4.03Å; L33-K98 HydrophobicContact CD1-CG 3.54Å; L33-K98 HydrophobicContact CD2-CG 4.28Å; L33-C99 HydrophobicContact CB-CB 4.36Å |
| 34 | C | 91.8 | Very high | 85.2 | Confident | 65 Ų | 65 | 78.8 Ų | 78.8 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 176.7 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | T30 A31 G37 Q38 C99 | T30-C34 PolarHBondContact O-N 3.43Å; T30-C34 PolarHBondContact O-SG 3.02Å; T30-C34 VanDerWaalsContact O-SG 3.33Å; A31-C34 PolarHBondContact O-N 2.96Å; C34-G37 PolarHBondContact O-N 2.95Å; C34-Q38 PolarHBondContact O-N 2.88Å; C34-C99 PolarHBondContact SG-SG 3.33Å |
| 35 | R | 94.7 | Very high | 87.6 | Confident | 178 Ų | 178 | 78.5 Ų | 78.5 | 67% | 0.672 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.9 | -48 | 176.2 | -176.7 | 179.1 | -114.3 | -175.3 | -4.2 | 111.5 | A31 S32 L33 G37 Q38 E39 | A31-R35 PolarHBondContact O-N 3.47Å; S32-R35 PolarHBondContact O-N 3.16Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.5Å; R35-G37 PolarHBondContact O-N 3.29Å; R35-Q38 PolarHBondContact O-N 3.5Å; R35-E39 WeakPolarHBondContact O-CG 3.42Å; R35-E39 PolarHBondContact O-N 2.95Å |
| 36 | I | 96 | Very high | 89.9 | Confident | 58 Ų | 58 | 80.8 Ų | 80.8 | 30% | 0.297 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 176.3 | -65.5 | 163.2 | 0 | 0 | 0 | 110.7 | S32 L33 T40 V95 | S32-I36 WeakPolarHBondContact O-CD1 3.38Å; S32-I36 VanDerWaalsContact O-CG1 3.25Å; S32-I36 WeakPolarHBondContact O-CG1 3.5Å; S32-I36 PolarHBondContact O-N 3.22Å; L33-I36 PolarHBondContact O-N 3.32Å; I36-T40 WeakPolarHBondContact O-CB 3.43Å; I36-T40 PolarHBondContact O-N 2.85Å; I36-T40 PolarHBondContact O-OG1 3.26Å; I36-V95 HydrophobicContact CG2-CG2 3.89Å |
| 37 | G | 96.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 72 Ų | 72 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L33 C34 R35 T40 V41 | L33-G37 PolarHBondContact O-N 3.34Å; C34-G37 PolarHBondContact O-N 2.95Å; R35-G37 PolarHBondContact O-N 3.29Å; G37-T40 PolarHBondContact O-N 3.37Å; G37-V41 WeakPolarHBondContact O-CG2 3.48Å; G37-V41 PolarHBondContact O-N 3.21Å |
| 38 | Q | 96.8 | Very high | 93.7 | Very high | 107 Ų | 107 | 65.5 Ų | 65.5 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 177.2 | -177.9 | -85 | -41 | 0 | 0 | 112 | C34 R35 T40 V41 Q42 | C34-Q38 PolarHBondContact O-N 2.88Å; R35-Q38 PolarHBondContact O-N 3.5Å; Q38-T40 VanDerWaalsContact C-N 3.32Å; Q38-T40 PolarHBondContact O-N 3.26Å; Q38-V41 PolarHBondContact O-N 3.33Å; Q38-Q42 WeakPolarHBondContact O-CB 3.37Å; Q38-Q42 PolarHBondContact O-N 2.76Å |
| 39 | E | 97.8 | Very high | 95.1 | Very high | 85 Ų | 85 | 67.4 Ų | 67.4 | 40% | 0.397 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 174.5 | -72.3 | 171.8 | -172.9 | 0 | 0 | 111.1 | R35 V41 Q42 D43 | R35-E39 WeakPolarHBondContact O-CG 3.42Å; R35-E39 PolarHBondContact O-N 2.95Å; E39-V41 PolarHBondContact O-N 3Å; E39-Q42 WeakPolarHBondContact O-CB 3.41Å; E39-Q42 PolarHBondContact O-N 3.03Å; E39-D43 PolarHBondContact O-N 3.27Å |
| 40 | T | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 179.3 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | I36 G37 Q38 D43 I44 L88 K91 L92 | I36-T40 WeakPolarHBondContact O-CB 3.43Å; I36-T40 PolarHBondContact O-N 2.85Å; I36-T40 PolarHBondContact O-OG1 3.26Å; G37-T40 PolarHBondContact O-N 3.37Å; Q38-T40 VanDerWaalsContact C-N 3.32Å; Q38-T40 PolarHBondContact O-N 3.26Å; T40-D43 PolarHBondContact O-N 3.16Å; T40-I44 HydrophobicContact CG2-CD1 4.33Å; T40-I44 VanDerWaalsContact O-CG1 3.27Å; T40-I44 WeakPolarHBondContact O-CG1 3.41Å; T40-I44 PolarHBondContact O-N 3.18Å; T40-L88 HydrophobicContact CG2-CB 4.48Å; T40-L88 HydrophobicContact CG2-CD2 4.18Å; T40-L88 WeakPolarHBondContact CG2-O 3.46Å; T40-K91 HydrophobicContact CG2-CB 4.4Å; T40-K91 HydrophobicContact CG2-CD 4.19Å; T40-K91 HydrophobicContact CG2-CG 4.39Å; T40-K91 PolarHBondContact OG1-NZ 2.94Å; T40-L92 HydrophobicContact CG2-CB 3.89Å; T40-L92 HydrophobicContact CG2-CD1 4.45Å |
| 41 | V | 98.5 | Very high | 96.1 | Very high | 68 Ų | 68 | 66.3 Ų | 66.3 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | G37 Q38 E39 D43 I44 V45 L92 | G37-V41 WeakPolarHBondContact O-CG2 3.48Å; G37-V41 PolarHBondContact O-N 3.21Å; Q38-V41 PolarHBondContact O-N 3.33Å; E39-V41 PolarHBondContact O-N 3Å; V41-D43 VanDerWaalsContact C-N 3.34Å; V41-D43 PolarHBondContact O-N 2.88Å; V41-I44 WeakPolarHBondContact O-CB 3.5Å; V41-I44 PolarHBondContact O-N 3.01Å; V41-V45 WeakPolarHBondContact O-CG2 3.21Å; V41-V45 PolarHBondContact O-N 3.06Å; V41-L92 HydrophobicContact CG2-CD1 3.72Å; V41-L92 HydrophobicContact CG2-CD2 3.89Å; V41-L92 HydrophobicContact CG2-CG 4.49Å |
| 42 | Q | 98 | Very high | 96.5 | Very high | 77 Ų | 77 | 69.6 Ų | 69.6 | 36% | 0.36 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 177.2 | 179.7 | 173.3 | 11.6 | 0 | 0 | 111.4 | Q38 E39 I44 V45 Y46 | Q38-Q42 WeakPolarHBondContact O-CB 3.37Å; Q38-Q42 PolarHBondContact O-N 2.76Å; E39-Q42 WeakPolarHBondContact O-CB 3.41Å; E39-Q42 PolarHBondContact O-N 3.03Å; Q42-I44 VanDerWaalsContact C-N 3.34Å; Q42-I44 PolarHBondContact O-N 3.5Å; Q42-V45 PolarHBondContact O-N 3.15Å; Q42-Y46 HydrophobicContact CG-CD2 3.74Å; Q42-Y46 HydrophobicContact CG-CE2 3.3Å; Q42-Y46 PolarHBondContact NE2-OH 3.36Å; Q42-Y46 VanDerWaalsContact O-CD2 3.25Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.47Å; Q42-Y46 PolarHBondContact O-N 3.49Å |
| 43 | D | 98.1 | Very high | 96.7 | Very high | 74 Ų | 74 | 72.3 Ų | 72.3 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.4 | -73.3 | -17.1 | 0 | 0 | 0 | 111.7 | E39 T40 V41 V45 Y46 R47 L88 | E39-D43 PolarHBondContact O-N 3.27Å; T40-D43 PolarHBondContact O-N 3.16Å; V41-D43 VanDerWaalsContact C-N 3.34Å; V41-D43 PolarHBondContact O-N 2.88Å; D43-V45 VanDerWaalsContact C-N 3.32Å; D43-V45 PolarHBondContact O-N 2.65Å; D43-Y46 PolarHBondContact O-N 3.46Å; D43-R47 VanDerWaalsContact O-CB 3.23Å; D43-R47 WeakPolarHBondContact O-CB 3.49Å; D43-R47 PolarHBondContact O-N 3.04Å; D43-L88 HydrophobicContact CB-CD1 4.13Å; D43-L88 HydrophobicContact CB-CD2 4.06Å |
| 44 | I | 98.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 73 Ų | 73 | 8% | 0.077 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 176.1 | -72 | 164.4 | 0 | 0 | 0 | 110.9 | T40 V41 Q42 R47 T48 L85 L88 F89 L92 | T40-I44 HydrophobicContact CG2-CD1 4.33Å; T40-I44 VanDerWaalsContact O-CG1 3.27Å; T40-I44 WeakPolarHBondContact O-CG1 3.41Å; T40-I44 PolarHBondContact O-N 3.18Å; V41-I44 WeakPolarHBondContact O-CB 3.5Å; V41-I44 PolarHBondContact O-N 3.01Å; Q42-I44 VanDerWaalsContact C-N 3.34Å; Q42-I44 PolarHBondContact O-N 3.5Å; I44-R47 PolarHBondContact O-N 3.44Å; I44-T48 VanDerWaalsContact O-CB 3.31Å; I44-T48 WeakPolarHBondContact O-CB 3.32Å; I44-T48 PolarHBondContact O-N 2.89Å; I44-T48 PolarHBondContact O-OG1 3.2Å; I44-L85 HydrophobicContact CG2-CD1 4.09Å; I44-L88 HydrophobicContact CD1-CB 4.11Å; I44-L88 HydrophobicContact CG1-CB 3.6Å; I44-L88 HydrophobicContact CG1-CD1 4.07Å; I44-L88 HydrophobicContact CG1-CG 4.4Å; I44-F89 HydrophobicContact CD1-CD1 3.91Å; I44-F89 HydrophobicContact CD1-CE1 3.93Å; I44-F89 HydrophobicContact CD1-CG 4.4Å; I44-F89 HydrophobicContact CD1-CZ 4.45Å; I44-F89 HydrophobicContact CG2-CE1 4.13Å; I44-F89 HydrophobicContact CG2-CE2 4.35Å; I44-F89 HydrophobicContact CG2-CZ 3.75Å; I44-L92 HydrophobicContact CD1-CB 4.36Å; I44-L92 HydrophobicContact CD1-CD2 3.8Å |
| 45 | V | 98.4 | Very high | 96.7 | Very high | 77 Ų | 77 | 73.6 Ų | 73.6 | 47% | 0.467 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -51.8 | 178.9 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | V41 Q42 D43 R47 T48 M49 | V41-V45 WeakPolarHBondContact O-CG2 3.21Å; V41-V45 PolarHBondContact O-N 3.06Å; Q42-V45 PolarHBondContact O-N 3.15Å; D43-V45 VanDerWaalsContact C-N 3.32Å; D43-V45 PolarHBondContact O-N 2.65Å; V45-R47 VanDerWaalsContact C-N 3.29Å; V45-R47 PolarHBondContact O-N 3.16Å; V45-T48 PolarHBondContact O-N 2.89Å; V45-M49 HydrophobicContact CG1-SD 4.12Å; V45-M49 WeakPolarHBondContact O-CG 3.46Å; V45-M49 PolarHBondContact O-N 3.26Å |
| 46 | Y | 98 | Very high | 96.5 | Very high | 128 Ų | 128 | 74.7 Ų | 74.7 | 50% | 0.502 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 177.8 | -73.3 | -53.7 | 0 | 0 | 0 | 112 | Q42 D43 T48 M49 E50 | Q42-Y46 HydrophobicContact CG-CD2 3.74Å; Q42-Y46 HydrophobicContact CG-CE2 3.3Å; Q42-Y46 PolarHBondContact NE2-OH 3.36Å; Q42-Y46 VanDerWaalsContact O-CD2 3.25Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.47Å; Q42-Y46 PolarHBondContact O-N 3.49Å; D43-Y46 PolarHBondContact O-N 3.46Å; Y46-T48 VanDerWaalsContact C-N 3.32Å; Y46-T48 PolarHBondContact O-N 3.26Å; Y46-M49 HydrophobicContact CD1-SD 4.46Å; Y46-M49 WeakPolarHBondContact O-CB 3.49Å; Y46-M49 PolarHBondContact O-N 3.45Å; Y46-E50 PolarHBondContact O-N 3.45Å |
| 47 | R | 97.2 | Very high | 96.1 | Very high | 45 Ų | 45 | 75.6 Ų | 75.6 | 17% | 0.17 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 177.6 | -156.8 | 78.8 | -169.5 | -151.6 | 4.8 | 112.8 | D43 I44 V45 M49 E50 I51 N81 Q84 L85 L88 | D43-R47 VanDerWaalsContact O-CB 3.23Å; D43-R47 WeakPolarHBondContact O-CB 3.49Å; D43-R47 PolarHBondContact O-N 3.04Å; I44-R47 PolarHBondContact O-N 3.44Å; V45-R47 VanDerWaalsContact C-N 3.29Å; V45-R47 PolarHBondContact O-N 3.16Å; R47-M49 VanDerWaalsContact C-N 3.31Å; R47-E50 PolarHBondContact O-N 3.02Å; R47-I51 VanDerWaalsContact O-CG1 3.32Å; R47-I51 WeakPolarHBondContact O-CG1 3.39Å; R47-I51 PolarHBondContact O-N 3.23Å; R47-N81 PolarHBondContact NE-OD1 3.29Å; R47-N81 PolarHBondContact NH2-OD1 3.5Å; R47-Q84 VanDerWaalsContact CZ-CD 3.48Å; R47-Q84 VanDerWaalsContact NH2-NE2 3.11Å; R47-L85 HydrophobicContact CB-CD1 3.77Å; R47-L85 HydrophobicContact CG-CD1 3.9Å; R47-L88 HydrophobicContact CB-CD1 4.46Å |
| 48 | T | 98 | Very high | 95.5 | Very high | 45 Ų | 45 | 76.6 Ų | 76.6 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 110.1 | I44 V45 Y46 I51 F52 | I44-T48 VanDerWaalsContact O-CB 3.31Å; I44-T48 WeakPolarHBondContact O-CB 3.32Å; I44-T48 PolarHBondContact O-N 2.89Å; I44-T48 PolarHBondContact O-OG1 3.2Å; V45-T48 PolarHBondContact O-N 2.89Å; Y46-T48 VanDerWaalsContact C-N 3.32Å; Y46-T48 PolarHBondContact O-N 3.26Å; T48-I51 PolarHBondContact O-N 2.94Å; T48-F52 HydrophobicContact CG2-CD2 3.75Å; T48-F52 HydrophobicContact CG2-CE2 3.45Å; T48-F52 VanDerWaalsContact CG2-CE2 3.45Å; T48-F52 WeakPolarHBondContact O-CD2 3.41Å; T48-F52 PolarHBondContact O-N 2.85Å |
| 49 | M | 97.5 | Very high | 94.7 | Very high | 116 Ų | 116 | 77.5 Ų | 77.5 | 57% | 0.571 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.3 | -44 | 173.4 | -66.1 | 173.7 | 69.3 | 0 | 0 | 112.2 | V45 Y46 R47 I51 F52 Q53 | V45-M49 HydrophobicContact CG1-SD 4.12Å; V45-M49 WeakPolarHBondContact O-CG 3.46Å; V45-M49 PolarHBondContact O-N 3.26Å; Y46-M49 HydrophobicContact CD1-SD 4.46Å; Y46-M49 WeakPolarHBondContact O-CB 3.49Å; Y46-M49 PolarHBondContact O-N 3.45Å; R47-M49 VanDerWaalsContact C-N 3.31Å; M49-I51 VanDerWaalsContact C-N 3.34Å; M49-I51 PolarHBondContact O-N 3.4Å; M49-F52 PolarHBondContact O-N 2.68Å; M49-Q53 WeakPolarHBondContact O-CB 3.43Å; M49-Q53 PolarHBondContact O-N 2.91Å |
| 50 | E | 95.6 | Very high | 93.5 | Very high | 109 Ų | 109 | 79.5 Ų | 79.5 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 175.7 | -74 | -174.6 | 159.9 | 0 | 0 | 112.3 | Y46 R47 Q53 L54 | Y46-E50 PolarHBondContact O-N 3.45Å; R47-E50 PolarHBondContact O-N 3.02Å; E50-Q53 PolarHBondContact O-N 3.12Å; E50-L54 WeakPolarHBondContact O-CB 3.46Å; E50-L54 PolarHBondContact O-N 2.84Å |
| 51 | I | 97.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 82.6 Ų | 82.6 | 7% | 0.067 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60 | -49.4 | 175.3 | -72.3 | 163.2 | 0 | 0 | 0 | 110.4 | R47 T48 M49 Q53 L54 L55 L78 N81 L82 L85 | R47-I51 VanDerWaalsContact O-CG1 3.32Å; R47-I51 WeakPolarHBondContact O-CG1 3.39Å; R47-I51 PolarHBondContact O-N 3.23Å; T48-I51 PolarHBondContact O-N 2.94Å; M49-I51 VanDerWaalsContact C-N 3.34Å; M49-I51 PolarHBondContact O-N 3.4Å; I51-Q53 VanDerWaalsContact C-N 3.3Å; I51-Q53 PolarHBondContact O-N 3.11Å; I51-L54 WeakPolarHBondContact O-CB 3.36Å; I51-L54 PolarHBondContact O-N 3.37Å; I51-L55 HydrophobicContact CG2-CD1 3.87Å; I51-L55 HydrophobicContact CG2-CG 4.36Å; I51-L55 WeakPolarHBondContact O-CB 3.34Å; I51-L55 WeakPolarHBondContact O-CG 3.37Å; I51-L55 PolarHBondContact O-N 3.38Å; I51-L78 HydrophobicContact CG1-CD1 4.44Å; I51-L78 HydrophobicContact CG2-CD1 3.73Å; I51-N81 HydrophobicContact CD1-CB 3.99Å; I51-N81 HydrophobicContact CG1-CB 3.56Å; I51-L82 HydrophobicContact CD1-CD2 4.03Å; I51-L85 HydrophobicContact CD1-CD2 4.09Å |
| 52 | F | 96.6 | Very high | 90.4 | Very high | 133 Ų | 133 | 84.5 Ų | 84.5 | 58% | 0.583 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 178.7 | -78.9 | -62.5 | 0 | 0 | 0 | 112.2 | T48 M49 L54 L55 R56 | T48-F52 HydrophobicContact CG2-CD2 3.75Å; T48-F52 HydrophobicContact CG2-CE2 3.45Å; T48-F52 VanDerWaalsContact CG2-CE2 3.45Å; T48-F52 WeakPolarHBondContact O-CD2 3.41Å; T48-F52 PolarHBondContact O-N 2.85Å; M49-F52 PolarHBondContact O-N 2.68Å; F52-L54 VanDerWaalsContact C-N 3.35Å; F52-L55 PolarHBondContact O-N 2.77Å; F52-R56 VanDerWaalsContact O-CB 3.31Å; F52-R56 WeakPolarHBondContact O-CB 3.32Å; F52-R56 PolarHBondContact O-N 2.89Å |
| 53 | Q | 95.3 | Very high | 88.8 | Confident | 101 Ų | 101 | 84.5 Ų | 84.5 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 175.2 | -172.4 | 64.3 | 8.5 | 0 | 0 | 111.5 | M49 E50 I51 N57 | M49-Q53 WeakPolarHBondContact O-CB 3.43Å; M49-Q53 PolarHBondContact O-N 2.91Å; E50-Q53 PolarHBondContact O-N 3.12Å; I51-Q53 VanDerWaalsContact C-N 3.3Å; I51-Q53 PolarHBondContact O-N 3.11Å; Q53-N57 PolarHBondContact O-N 3.12Å; Q53-N57 PolarHBondContact O-ND2 3.29Å |
| 54 | L | 92.7 | Very high | 87.3 | Confident | 27 Ų | 27 | 87.4 Ų | 87.4 | 14% | 0.141 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 176 | -173.3 | 68.8 | 0 | 0 | 0 | 111.5 | E50 I51 F52 R56 N57 M58 R74 K77 L78 | E50-L54 WeakPolarHBondContact O-CB 3.46Å; E50-L54 PolarHBondContact O-N 2.84Å; I51-L54 WeakPolarHBondContact O-CB 3.36Å; I51-L54 PolarHBondContact O-N 3.37Å; F52-L54 VanDerWaalsContact C-N 3.35Å; L54-R56 PolarHBondContact O-N 2.68Å; L54-N57 PolarHBondContact O-N 2.82Å; L54-N57 VanDerWaalsContact O-N 3.16Å; L54-M58 PolarHBondContact O-N 3Å; L54-R74 HydrophobicContact CD1-CB 4.17Å; L54-R74 HydrophobicContact CD1-CG 4.06Å; L54-R74 WeakPolarHBondContact CD2-O 3.48Å; L54-K77 HydrophobicContact CD2-CB 3.99Å; L54-L78 HydrophobicContact CD2-CB 3.62Å; L54-L78 HydrophobicContact CD2-CD1 4.22Å |
| 55 | L | 92.2 | Very high | 85.6 | Confident | 78 Ų | 78 | 90.1 Ų | 90.1 | 41% | 0.408 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 177.4 | -73.2 | 173.3 | 0 | 0 | 0 | 111.9 | I51 F52 N57 M58 L78 | I51-L55 HydrophobicContact CG2-CD1 3.87Å; I51-L55 HydrophobicContact CG2-CG 4.36Å; I51-L55 WeakPolarHBondContact O-CB 3.34Å; I51-L55 WeakPolarHBondContact O-CG 3.37Å; I51-L55 PolarHBondContact O-N 3.38Å; F52-L55 PolarHBondContact O-N 2.77Å; L55-N57 PolarHBondContact O-N 3.06Å; L55-M58 HydrophobicContact CD2-SD 4.32Å; L55-M58 PolarHBondContact O-N 3.2Å; L55-M58 VanDerWaalsContact O-N 3.15Å; L55-L78 HydrophobicContact CD2-CD1 4.18Å; L55-L78 HydrophobicContact CD2-CD2 3.69Å; L55-L78 HydrophobicContact CG-CD1 4.21Å |
| 56 | R | 90.3 | Very high | 83.9 | Confident | 202 Ų | 202 | 92.3 Ų | 92.3 | 76% | 0.762 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58 | -35.7 | 175.9 | -175.2 | -176.3 | -179.4 | -176.5 | 2.2 | 112.2 | F52 L54 | F52-R56 VanDerWaalsContact O-CB 3.31Å; F52-R56 WeakPolarHBondContact O-CB 3.32Å; F52-R56 PolarHBondContact O-N 2.89Å; L54-R56 PolarHBondContact O-N 2.68Å |
| 57 | N | 87.4 | Confident | 82.7 | Confident | 77 Ų | 77 | 91.9 Ų | 91.9 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -85.9 | -15.8 | -178.5 | -69.7 | -46.3 | 0 | 0 | 0 | 113.1 | Q53 L54 L55 Q59 R74 | Q53-N57 PolarHBondContact O-N 3.12Å; Q53-N57 PolarHBondContact O-ND2 3.29Å; L54-N57 PolarHBondContact O-N 2.82Å; L54-N57 VanDerWaalsContact O-N 3.16Å; L55-N57 PolarHBondContact O-N 3.06Å; N57-Q59 PolarHBondContact O-N 3.41Å; N57-R74 PolarHBondContact O-NH1 2.89Å |
| 58 | M | 84.2 | Confident | 81.7 | Confident | 32 Ų | 32 | 93.4 Ų | 93.4 | 16% | 0.158 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 116.1 | 177.6 | -83.5 | -177.9 | 63.6 | 0 | 0 | 110.8 | L54 L55 Y71 R74 L78 | L54-M58 PolarHBondContact O-N 3Å; L55-M58 HydrophobicContact CD2-SD 4.32Å; L55-M58 PolarHBondContact O-N 3.2Å; L55-M58 VanDerWaalsContact O-N 3.15Å; M58-Y71 HydrophobicContact CE-CD2 3.95Å; M58-Y71 HydrophobicContact CE-CE2 3.29Å; M58-R74 HydrophobicContact CG-CB 3.97Å; M58-R74 HydrophobicContact SD-CB 4.38Å; M58-L78 HydrophobicContact SD-CD2 4.33Å |
| 59 | Q | 79.1 | Confident | 81 | Confident | 126 Ų | 126 | 93.3 Ų | 93.3 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 135.2 | 167.9 | -72.2 | -177.3 | -46.2 | 0 | 0 | 109.4 | N57 | N57-Q59 PolarHBondContact O-N 3.41Š|
| 60 | L | 72.4 | Confident | 80.4 | Confident | 126 Ų | 126 | 91.1 Ų | 91.1 | 66% | 0.66 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 153.5 | 171.3 | -77.9 | 80.6 | 0 | 0 | 0 | 109.9 | N62 | L60-N62 VanDerWaalsContact C-N 3.31Å; L60-N62 PolarHBondContact O-N 3.28Å; L60-N62 PolarHBondContact O-OD1 2.89Å |
| 61 | P | 64.6 | Low | 79.9 | Confident | 66 Ų | 66 | 88.8 Ų | 88.8 | 43% | 0.429 | 47% | 0.473 | S | S | . | . | trans | -56 | 88.6 | 169.1 | -15.5 | 24 | 0 | 0 | 0 | 111.4 | G63 Y66 | P61-G63 PolarHBondContact O-N 3.26Å; P61-Y66 HydrophobicContact CB-CD2 3.63Å; P61-Y66 HydrophobicContact CB-CE2 3.27Å; P61-Y66 HydrophobicContact CG-CD2 4.31Å; P61-Y66 HydrophobicContact CG-CE2 3.5Å; P61-Y66 VanDerWaalsContact CG-CE2 3.5Å | ||
| 62 | N | 66.9 | Low | 79.5 | Confident | 107 Ų | 107 | 92.8 Ų | 92.8 | 57% | 0.572 | 49% | 0.491 | S | S | * | . | trans | -88.7 | 22.8 | -174.9 | -73.8 | -10.4 | 0 | 0 | 0 | 113.7 | L60 V64 | L60-N62 VanDerWaalsContact C-N 3.31Å; L60-N62 PolarHBondContact O-N 3.28Å; L60-N62 PolarHBondContact O-OD1 2.89Å; N62-V64 PolarHBondContact O-N 3.27Å | ||
| 63 | G | 64.3 | Low | 79.2 | Confident | 78 Ų | 78 | 91.3 Ų | 91.3 | 80% | 0.804 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 66.7 | -23.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | P61 | P61-G63 PolarHBondContact O-N 3.26Š|
| 64 | V | 66.3 | Low | 79 | Confident | 135 Ų | 135 | 90.3 Ų | 90.3 | 82% | 0.818 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -101.9 | -35.1 | -173.7 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | N62 | N62-V64 PolarHBondContact O-N 3.27Š|
| 65 | T | 63.4 | Low | 79 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | trans | -133.4 | 89.6 | -179.2 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 66 | Y | 62.6 | Low | 79.1 | Confident | 123 Ų | 123 | 90.6 Ų | 90.6 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | trans | -105.9 | 96 | 179.9 | -155.6 | -133.5 | 0 | 0 | 0 | 110.8 | P61 T68 | P61-Y66 HydrophobicContact CB-CD2 3.63Å; P61-Y66 HydrophobicContact CB-CE2 3.27Å; P61-Y66 HydrophobicContact CG-CD2 4.31Å; P61-Y66 HydrophobicContact CG-CE2 3.5Å; P61-Y66 VanDerWaalsContact CG-CE2 3.5Å; Y66-T68 HydrophobicContact CD1-CG2 3.28Å; Y66-T68 HydrophobicContact CE1-CG2 3.13Å; Y66-T68 HydrophobicContact CG-CG2 4.19Å; Y66-T68 PolarHBondContact O-N 3.39Å | ||
| 67 | H | 72.8 | Confident | 79.3 | Confident | 118 Ų | 118 | 87.2 Ų | 87.2 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | trans | -93 | 74.4 | 170.5 | -57.1 | -56.3 | 0 | 0 | 0 | 108.8 | G69 T70 Y71 | H67-G69 PolarHBondContact O-N 2.88Å; H67-T70 HydrophobicContact CB-CG2 4.41Å; H67-T70 VanDerWaalsContact CB-OG1 3.25Å; H67-T70 WeakPolarHBondContact CB-OG1 3.24Å; H67-T70 PolarHBondContact O-N 3.42Å; H67-T70 PolarHBondContact O-OG1 3.21Å; H67-Y71 PolarHBondContact O-N 3.42Å; H67-Y71 VanDerWaalsContact O-N 3.16Å | ||
| 68 | T | 77.2 | Confident | 79.7 | Confident | 78 Ų | 78 | 84.5 Ų | 84.5 | 48% | 0.479 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -46.3 | -46.6 | -177.9 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | Y66 Y71 Q72 | Y66-T68 HydrophobicContact CD1-CG2 3.28Å; Y66-T68 HydrophobicContact CE1-CG2 3.13Å; Y66-T68 HydrophobicContact CG-CG2 4.19Å; Y66-T68 PolarHBondContact O-N 3.39Å; T68-Y71 PolarHBondContact O-N 2.93Å; T68-Q72 WeakPolarHBondContact O-CB 3.33Å; T68-Q72 VanDerWaalsContact O-CG 3.3Å; T68-Q72 WeakPolarHBondContact O-CG 3.47Å; T68-Q72 PolarHBondContact O-N 2.81Å |
| 69 | G | 82.2 | Confident | 80.3 | Confident | 42 Ų | 42 | 88.2 Ų | 88.2 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.9 | -52.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H67 Y71 Q72 D73 | H67-G69 PolarHBondContact O-N 2.88Å; G69-Y71 VanDerWaalsContact C-N 3.31Å; G69-Y71 PolarHBondContact O-N 3.38Å; G69-Q72 PolarHBondContact O-N 2.72Å; G69-D73 VanDerWaalsContact O-CG 3.28Å; G69-D73 PolarHBondContact O-N 2.96Å; G69-D73 VanDerWaalsContact O-OD2 3.14Å |
| 70 | T | 84.4 | Confident | 81.2 | Confident | 71 Ų | 71 | 85.5 Ų | 85.5 | 44% | 0.436 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.1 | -32.8 | -177.1 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | H67 R74 | H67-T70 HydrophobicContact CB-CG2 4.41Å; H67-T70 VanDerWaalsContact CB-OG1 3.25Å; H67-T70 WeakPolarHBondContact CB-OG1 3.24Å; H67-T70 PolarHBondContact O-N 3.42Å; H67-T70 PolarHBondContact O-OG1 3.21Å; T70-R74 WeakPolarHBondContact O-CB 3.31Å; T70-R74 WeakPolarHBondContact O-CD 3.44Å; T70-R74 WeakPolarHBondContact O-CG 3.5Å; T70-R74 PolarHBondContact O-N 3.47Å; T70-R74 VanDerWaalsContact O-N 3.16Å |
| 71 | Y | 85.9 | Confident | 82.4 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 23% | 0.231 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 173.2 | 178.9 | -90 | 0 | 0 | 0 | 111.4 | M58 H67 T68 G69 R74 L75 | M58-Y71 HydrophobicContact CE-CD2 3.95Å; M58-Y71 HydrophobicContact CE-CE2 3.29Å; H67-Y71 PolarHBondContact O-N 3.42Å; H67-Y71 VanDerWaalsContact O-N 3.16Å; T68-Y71 PolarHBondContact O-N 2.93Å; G69-Y71 VanDerWaalsContact C-N 3.31Å; G69-Y71 PolarHBondContact O-N 3.38Å; Y71-R74 PolarHBondContact O-N 3.29Å; Y71-L75 HydrophobicContact CE1-CD2 4.21Å; Y71-L75 WeakPolarHBondContact O-CB 3.36Å; Y71-L75 PolarHBondContact O-N 2.94Å |
| 72 | Q | 89.3 | Confident | 84 | Confident | 98 Ų | 98 | 81.1 Ų | 81.1 | 46% | 0.458 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 179.2 | -72.5 | -64.3 | -17.5 | 0 | 0 | 112.2 | T68 G69 R74 L75 T76 | T68-Q72 WeakPolarHBondContact O-CB 3.33Å; T68-Q72 VanDerWaalsContact O-CG 3.3Å; T68-Q72 WeakPolarHBondContact O-CG 3.47Å; T68-Q72 PolarHBondContact O-N 2.81Å; G69-Q72 PolarHBondContact O-N 2.72Å; Q72-R74 VanDerWaalsContact C-N 3.33Å; Q72-R74 PolarHBondContact O-N 3.41Å; Q72-L75 PolarHBondContact O-N 2.89Å; Q72-T76 WeakPolarHBondContact O-CB 3.38Å; Q72-T76 PolarHBondContact O-N 3.33Å; Q72-T76 PolarHBondContact O-OG1 3.17Å |
| 73 | D | 90.7 | Very high | 85.4 | Confident | 101 Ų | 101 | 84.5 Ų | 84.5 | 54% | 0.54 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.8 | -67.4 | -37.6 | 0 | 0 | 0 | 111.7 | G69 K77 | G69-D73 VanDerWaalsContact O-CG 3.28Å; G69-D73 PolarHBondContact O-N 2.96Å; G69-D73 VanDerWaalsContact O-OD2 3.14Å; D73-K77 WeakPolarHBondContact O-CG 3.27Å; D73-K77 PolarHBondContact O-N 3.41Å |
| 74 | R | 90.9 | Very high | 87 | Confident | 80 Ų | 80 | 85.2 Ų | 85.2 | 30% | 0.302 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 176.9 | -72.5 | 169.8 | 177.4 | -175.2 | -8.7 | 111.8 | L54 N57 M58 T70 Y71 Q72 T76 K77 L78 | L54-R74 HydrophobicContact CD1-CB 4.17Å; L54-R74 HydrophobicContact CD1-CG 4.06Å; L54-R74 WeakPolarHBondContact CD2-O 3.48Å; N57-R74 PolarHBondContact O-NH1 2.89Å; M58-R74 HydrophobicContact CG-CB 3.97Å; M58-R74 HydrophobicContact SD-CB 4.38Å; T70-R74 WeakPolarHBondContact O-CB 3.31Å; T70-R74 WeakPolarHBondContact O-CD 3.44Å; T70-R74 WeakPolarHBondContact O-CG 3.5Å; T70-R74 PolarHBondContact O-N 3.47Å; T70-R74 VanDerWaalsContact O-N 3.16Å; Y71-R74 PolarHBondContact O-N 3.29Å; Q72-R74 VanDerWaalsContact C-N 3.33Å; Q72-R74 PolarHBondContact O-N 3.41Å; R74-T76 VanDerWaalsContact C-N 3.33Å; R74-T76 PolarHBondContact O-N 3.19Å; R74-K77 PolarHBondContact O-N 2.9Å; R74-L78 WeakPolarHBondContact O-CB 3.45Å; R74-L78 PolarHBondContact O-N 3.32Å |
| 75 | L | 91.8 | Very high | 88.5 | Confident | 44 Ų | 44 | 79.9 Ų | 79.9 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.8 | -176.6 | 64.3 | 0 | 0 | 0 | 111.1 | Y71 Q72 L78 Q79 | Y71-L75 HydrophobicContact CE1-CD2 4.21Å; Y71-L75 WeakPolarHBondContact O-CB 3.36Å; Y71-L75 PolarHBondContact O-N 2.94Å; Q72-L75 PolarHBondContact O-N 2.89Å; L75-L78 WeakPolarHBondContact O-CB 3.31Å; L75-L78 PolarHBondContact O-N 2.88Å; L75-Q79 WeakPolarHBondContact O-CG 3.38Å; L75-Q79 PolarHBondContact O-N 3.38Å |
| 76 | T | 94.5 | Very high | 90.1 | Very high | 67 Ų | 67 | 79.5 Ų | 79.5 | 41% | 0.411 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | Q72 R74 L78 Q79 D80 | Q72-T76 WeakPolarHBondContact O-CB 3.38Å; Q72-T76 PolarHBondContact O-N 3.33Å; Q72-T76 PolarHBondContact O-OG1 3.17Å; R74-T76 VanDerWaalsContact C-N 3.33Å; R74-T76 PolarHBondContact O-N 3.19Å; T76-L78 VanDerWaalsContact C-N 3.27Å; T76-L78 PolarHBondContact O-N 2.8Å; T76-Q79 PolarHBondContact O-N 3.48Å; T76-Q79 VanDerWaalsContact O-N 3.16Å; T76-D80 PolarHBondContact O-N 3Å |
| 77 | K | 95.1 | Very high | 91.8 | Very high | 131 Ų | 131 | 77.7 Ų | 77.7 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -57.3 | -39.6 | 174.3 | -74.8 | 177.5 | -178.7 | -178.2 | 0 | 112.4 | L54 D73 R74 D80 N81 | L54-K77 HydrophobicContact CD2-CB 3.99Å; D73-K77 WeakPolarHBondContact O-CG 3.27Å; D73-K77 PolarHBondContact O-N 3.41Å; R74-K77 PolarHBondContact O-N 2.9Å; K77-D80 PolarHBondContact O-N 2.84Å; K77-N81 WeakPolarHBondContact O-CB 3.5Å; K77-N81 PolarHBondContact O-N 2.7Å; K77-N81 PolarHBondContact O-ND2 2.87Å |
| 78 | L | 95.9 | Very high | 93 | Very high | 20 Ų | 20 | 73.2 Ų | 73.2 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 177.7 | 179.4 | 63.6 | 0 | 0 | 0 | 110.8 | I51 L54 L55 M58 R74 L75 T76 D80 N81 L82 | I51-L78 HydrophobicContact CG1-CD1 4.44Å; I51-L78 HydrophobicContact CG2-CD1 3.73Å; L54-L78 HydrophobicContact CD2-CB 3.62Å; L54-L78 HydrophobicContact CD2-CD1 4.22Å; L55-L78 HydrophobicContact CD2-CD1 4.18Å; L55-L78 HydrophobicContact CD2-CD2 3.69Å; L55-L78 HydrophobicContact CG-CD1 4.21Å; M58-L78 HydrophobicContact SD-CD2 4.33Å; R74-L78 WeakPolarHBondContact O-CB 3.45Å; R74-L78 PolarHBondContact O-N 3.32Å; L75-L78 WeakPolarHBondContact O-CB 3.31Å; L75-L78 PolarHBondContact O-N 2.88Å; T76-L78 VanDerWaalsContact C-N 3.27Å; T76-L78 PolarHBondContact O-N 2.8Å; L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 2.98Å; L78-N81 WeakPolarHBondContact O-CB 3.23Å; L78-N81 PolarHBondContact O-N 2.81Å; L78-L82 HydrophobicContact CG-CD1 4.27Å; L78-L82 WeakPolarHBondContact O-CG 3.39Å; L78-L82 PolarHBondContact O-N 3.07Å |
| 79 | Q | 96.6 | Very high | 94 | Very high | 110 Ų | 110 | 74.6 Ų | 74.6 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 177.7 | -71.6 | 178.2 | -2.6 | 0 | 0 | 111.9 | L75 T76 L82 R83 | L75-Q79 WeakPolarHBondContact O-CG 3.38Å; L75-Q79 PolarHBondContact O-N 3.38Å; T76-Q79 PolarHBondContact O-N 3.48Å; T76-Q79 VanDerWaalsContact O-N 3.16Å; Q79-L82 PolarHBondContact O-N 3.37Å; Q79-R83 WeakPolarHBondContact O-CB 3.4Å; Q79-R83 PolarHBondContact O-N 3.23Å |
| 80 | D | 97.3 | Very high | 94.8 | Very high | 69 Ų | 69 | 81.2 Ų | 81.2 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 175.9 | -72.1 | -26.9 | 0 | 0 | 0 | 112 | T76 K77 L78 L82 R83 Q84 | T76-D80 PolarHBondContact O-N 3Å; K77-D80 PolarHBondContact O-N 2.84Å; L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 2.98Å; D80-L82 PolarHBondContact O-N 3.02Å; D80-R83 PolarHBondContact O-N 2.91Å; D80-Q84 WeakPolarHBondContact O-CB 3.31Å; D80-Q84 WeakPolarHBondContact O-CG 3.19Å; D80-Q84 PolarHBondContact O-N 3.39Å |
| 81 | N | 97.5 | Very high | 95.4 | Very high | 19 Ų | 19 | 82 Ų | 82 | 10% | 0.102 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.1 | -82.3 | -63.7 | 0 | 0 | 0 | 112.2 | R47 I51 K77 L78 R83 Q84 L85 | R47-N81 PolarHBondContact NE-OD1 3.29Å; R47-N81 PolarHBondContact NH2-OD1 3.5Å; I51-N81 HydrophobicContact CD1-CB 3.99Å; I51-N81 HydrophobicContact CG1-CB 3.56Å; K77-N81 WeakPolarHBondContact O-CB 3.5Å; K77-N81 PolarHBondContact O-N 2.7Å; K77-N81 PolarHBondContact O-ND2 2.87Å; L78-N81 WeakPolarHBondContact O-CB 3.23Å; L78-N81 PolarHBondContact O-N 2.81Å; N81-R83 PolarHBondContact O-N 2.86Å; N81-Q84 PolarHBondContact O-N 3.47Å; N81-L85 WeakPolarHBondContact O-CB 3.34Å; N81-L85 PolarHBondContact O-N 2.86Å |
| 82 | L | 97.7 | Very high | 96 | Very high | 81 Ų | 81 | 81.2 Ų | 81.2 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 177.4 | -69 | 174.1 | 0 | 0 | 0 | 112.3 | I51 L78 Q79 D80 L85 S86 | I51-L82 HydrophobicContact CD1-CD2 4.03Å; L78-L82 HydrophobicContact CG-CD1 4.27Å; L78-L82 WeakPolarHBondContact O-CG 3.39Å; L78-L82 PolarHBondContact O-N 3.07Å; Q79-L82 PolarHBondContact O-N 3.37Å; D80-L82 PolarHBondContact O-N 3.02Å; L82-L85 PolarHBondContact O-N 3.44Å; L82-S86 PolarHBondContact O-N 3.44Å; L82-S86 PolarHBondContact O-OG 3.29Å |
| 83 | R | 97.9 | Very high | 96.4 | Very high | 179 Ų | 179 | 83.5 Ų | 83.5 | 68% | 0.675 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.6 | -45.6 | 174.7 | -172.7 | -179 | -67.1 | 177.8 | 1.1 | 111 | Q79 D80 N81 S86 V87 | Q79-R83 WeakPolarHBondContact O-CB 3.4Å; Q79-R83 PolarHBondContact O-N 3.23Å; D80-R83 PolarHBondContact O-N 2.91Å; N81-R83 PolarHBondContact O-N 2.86Å; R83-S86 WeakPolarHBondContact O-CB 3.47Å; R83-S86 PolarHBondContact O-N 3.43Å; R83-V87 PolarHBondContact O-N 3.21Å |
| 84 | Q | 97.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 84.6 Ų | 84.6 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 178.3 | -70.2 | -178.2 | 50.4 | 0 | 0 | 111.5 | R47 D80 N81 S86 V87 L88 | R47-Q84 VanDerWaalsContact CZ-CD 3.48Å; R47-Q84 VanDerWaalsContact NH2-NE2 3.11Å; D80-Q84 WeakPolarHBondContact O-CB 3.31Å; D80-Q84 WeakPolarHBondContact O-CG 3.19Å; D80-Q84 PolarHBondContact O-N 3.39Å; N81-Q84 PolarHBondContact O-N 3.47Å; Q84-S86 VanDerWaalsContact C-N 3.29Å; Q84-S86 PolarHBondContact O-N 2.92Å; Q84-V87 WeakPolarHBondContact O-CB 3.25Å; Q84-V87 PolarHBondContact O-N 2.59Å; Q84-V87 VanDerWaalsContact O-N 3.11Å; Q84-L88 WeakPolarHBondContact O-CG 3.21Å; Q84-L88 PolarHBondContact O-N 3Å |
| 85 | L | 97.5 | Very high | 96.9 | Very high | 24 Ų | 24 | 81.6 Ų | 81.6 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 173.4 | -162.1 | 75.1 | 0 | 0 | 0 | 111.7 | I44 R47 I51 N81 L82 V87 L88 F89 | I44-L85 HydrophobicContact CG2-CD1 4.09Å; R47-L85 HydrophobicContact CB-CD1 3.77Å; R47-L85 HydrophobicContact CG-CD1 3.9Å; I51-L85 HydrophobicContact CD1-CD2 4.09Å; N81-L85 WeakPolarHBondContact O-CB 3.34Å; N81-L85 PolarHBondContact O-N 2.86Å; L82-L85 PolarHBondContact O-N 3.44Å; L85-V87 VanDerWaalsContact C-N 3.31Å; L85-V87 PolarHBondContact O-N 3.18Å; L85-L88 PolarHBondContact O-N 3.34Å; L85-F89 HydrophobicContact CD1-CE2 4.31Å; L85-F89 HydrophobicContact CD2-CE2 3.99Å; L85-F89 HydrophobicContact CG-CD2 4.1Å; L85-F89 HydrophobicContact CG-CE2 3.72Å; L85-F89 VanDerWaalsContact O-CD2 3.24Å; L85-F89 WeakPolarHBondContact O-CD2 3.37Å; L85-F89 PolarHBondContact O-N 3.44Å |
| 86 | S | 97.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 85.7 Ų | 85.7 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | L82 R83 Q84 R90 | L82-S86 PolarHBondContact O-N 3.44Å; L82-S86 PolarHBondContact O-OG 3.29Å; R83-S86 WeakPolarHBondContact O-CB 3.47Å; R83-S86 PolarHBondContact O-N 3.43Å; Q84-S86 VanDerWaalsContact C-N 3.29Å; Q84-S86 PolarHBondContact O-N 2.92Å; S86-R90 WeakPolarHBondContact O-CG 3.34Å; S86-R90 PolarHBondContact O-N 3.27Å |
| 87 | V | 98.1 | Very high | 96.9 | Very high | 85 Ų | 85 | 85 Ų | 85 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 175.4 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | R83 Q84 L85 F89 R90 K91 | R83-V87 PolarHBondContact O-N 3.21Å; Q84-V87 WeakPolarHBondContact O-CB 3.25Å; Q84-V87 PolarHBondContact O-N 2.59Å; Q84-V87 VanDerWaalsContact O-N 3.11Å; L85-V87 VanDerWaalsContact C-N 3.31Å; L85-V87 PolarHBondContact O-N 3.18Å; V87-F89 PolarHBondContact O-N 3.43Å; V87-R90 PolarHBondContact O-N 2.9Å; V87-K91 PolarHBondContact O-N 3.36Å |
| 88 | L | 98.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 83.2 Ų | 83.2 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.7 | -71.5 | 169.9 | 0 | 0 | 0 | 111.9 | T40 D43 I44 R47 Q84 L85 R90 K91 L92 | T40-L88 HydrophobicContact CG2-CB 4.48Å; T40-L88 HydrophobicContact CG2-CD2 4.18Å; T40-L88 WeakPolarHBondContact CG2-O 3.46Å; D43-L88 HydrophobicContact CB-CD1 4.13Å; D43-L88 HydrophobicContact CB-CD2 4.06Å; I44-L88 HydrophobicContact CD1-CB 4.11Å; I44-L88 HydrophobicContact CG1-CB 3.6Å; I44-L88 HydrophobicContact CG1-CD1 4.07Å; I44-L88 HydrophobicContact CG1-CG 4.4Å; R47-L88 HydrophobicContact CB-CD1 4.46Å; Q84-L88 WeakPolarHBondContact O-CG 3.21Å; Q84-L88 PolarHBondContact O-N 3Å; L85-L88 PolarHBondContact O-N 3.34Å; L88-R90 VanDerWaalsContact C-N 3.35Å; L88-R90 PolarHBondContact O-N 3.47Å; L88-K91 PolarHBondContact O-N 2.99Å; L88-L92 WeakPolarHBondContact O-CB 3.12Å; L88-L92 PolarHBondContact O-N 2.8Å |
| 89 | F | 98.5 | Very high | 96.4 | Very high | 107 Ų | 107 | 83.2 Ų | 83.2 | 47% | 0.469 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 175.5 | -79.8 | -62.8 | 0 | 0 | 0 | 113 | I44 L85 V87 L92 R93 | I44-F89 HydrophobicContact CD1-CD1 3.91Å; I44-F89 HydrophobicContact CD1-CE1 3.93Å; I44-F89 HydrophobicContact CD1-CG 4.4Å; I44-F89 HydrophobicContact CD1-CZ 4.45Å; I44-F89 HydrophobicContact CG2-CE1 4.13Å; I44-F89 HydrophobicContact CG2-CE2 4.35Å; I44-F89 HydrophobicContact CG2-CZ 3.75Å; L85-F89 HydrophobicContact CD1-CE2 4.31Å; L85-F89 HydrophobicContact CD2-CE2 3.99Å; L85-F89 HydrophobicContact CG-CD2 4.1Å; L85-F89 HydrophobicContact CG-CE2 3.72Å; L85-F89 VanDerWaalsContact O-CD2 3.24Å; L85-F89 WeakPolarHBondContact O-CD2 3.37Å; L85-F89 PolarHBondContact O-N 3.44Å; V87-F89 PolarHBondContact O-N 3.43Å; F89-L92 PolarHBondContact O-N 3.46Å; F89-R93 WeakPolarHBondContact O-CB 3.41Å; F89-R93 PolarHBondContact O-N 3.37Å |
| 90 | R | 98.3 | Very high | 95.9 | Very high | 181 Ų | 181 | 82.2 Ų | 82.2 | 68% | 0.683 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.2 | -44.5 | 173.6 | -70.9 | 175.8 | -175.7 | 167.4 | 1.5 | 111.4 | S86 V87 L88 R93 L94 | S86-R90 WeakPolarHBondContact O-CG 3.34Å; S86-R90 PolarHBondContact O-N 3.27Å; V87-R90 PolarHBondContact O-N 2.9Å; L88-R90 VanDerWaalsContact C-N 3.35Å; L88-R90 PolarHBondContact O-N 3.47Å; R90-R93 PolarHBondContact O-N 3.31Å; R90-L94 WeakPolarHBondContact O-CG 3.41Å; R90-L94 PolarHBondContact O-N 3.17Å |
| 91 | K | 97.7 | Very high | 95.4 | Very high | 87 Ų | 87 | 85 Ų | 85 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 175.1 | -176.4 | -174.1 | 176.4 | -164 | 0 | 110.7 | T40 V87 L88 R93 L94 V95 | T40-K91 HydrophobicContact CG2-CB 4.4Å; T40-K91 HydrophobicContact CG2-CD 4.19Å; T40-K91 HydrophobicContact CG2-CG 4.39Å; T40-K91 PolarHBondContact OG1-NZ 2.94Å; V87-K91 PolarHBondContact O-N 3.36Å; L88-K91 PolarHBondContact O-N 2.99Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 2.92Å; K91-L94 PolarHBondContact O-N 3.38Å; K91-V95 VanDerWaalsContact O-CG2 3.31Å; K91-V95 WeakPolarHBondContact O-CG2 3.25Å; K91-V95 PolarHBondContact O-N 2.92Å |
| 92 | L | 98.2 | Very high | 94.7 | Very high | 43 Ų | 43 | 87.1 Ų | 87.1 | 23% | 0.225 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 178.6 | -176.8 | 60.9 | 0 | 0 | 0 | 111.4 | T40 V41 I44 L88 F89 V95 Y96 | T40-L92 HydrophobicContact CG2-CB 3.89Å; T40-L92 HydrophobicContact CG2-CD1 4.45Å; V41-L92 HydrophobicContact CG2-CD1 3.72Å; V41-L92 HydrophobicContact CG2-CD2 3.89Å; V41-L92 HydrophobicContact CG2-CG 4.49Å; I44-L92 HydrophobicContact CD1-CB 4.36Å; I44-L92 HydrophobicContact CD1-CD2 3.8Å; L88-L92 WeakPolarHBondContact O-CB 3.12Å; L88-L92 PolarHBondContact O-N 2.8Å; F89-L92 PolarHBondContact O-N 3.46Å; L92-V95 PolarHBondContact O-N 3.24Å; L92-Y96 WeakPolarHBondContact O-CB 3.22Å; L92-Y96 PolarHBondContact O-N 3.23Å |
| 93 | R | 97.5 | Very high | 93.5 | Very high | 146 Ų | 146 | 85.3 Ų | 85.3 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.8 | -47.5 | 177.1 | -174.7 | 67.8 | -157.2 | -173.2 | 3.1 | 112.1 | F89 R90 K91 V95 Y96 D97 | F89-R93 WeakPolarHBondContact O-CB 3.41Å; F89-R93 PolarHBondContact O-N 3.37Å; R90-R93 PolarHBondContact O-N 3.31Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 2.92Å; R93-V95 VanDerWaalsContact C-N 3.33Å; R93-V95 PolarHBondContact O-N 2.97Å; R93-Y96 WeakPolarHBondContact O-CB 3.33Å; R93-Y96 PolarHBondContact O-N 3.21Å; R93-D97 IonicContact CZ-OD1 3.18Å; R93-D97 IonicContact CZ-OD2 3.96Å; R93-D97 IonicContact NE-OD1 3.06Å; R93-D97 PolarHBondContact NE-OD1 3.29Å; R93-D97 IonicContact NE-OD2 3.12Å; R93-D97 PolarHBondContact NE-OD2 3.44Å; R93-D97 VanDerWaalsContact NE-OD2 3.12Å; R93-D97 IonicContact NH2-OD1 2.77Å; R93-D97 PolarHBondContact NH2-OD1 2.97Å; R93-D97 IonicContact NH2-OD2 3.92Å; R93-D97 VanDerWaalsContact O-CG 3.31Å; R93-D97 PolarHBondContact O-N 2.83Å |
| 94 | L | 96.1 | Very high | 92.2 | Very high | 124 Ų | 124 | 80.2 Ų | 80.2 | 65% | 0.649 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.2 | -42.3 | 177.2 | -69.7 | 171.8 | 0 | 0 | 0 | 112.3 | R90 K91 K98 | R90-L94 WeakPolarHBondContact O-CG 3.41Å; R90-L94 PolarHBondContact O-N 3.17Å; K91-L94 PolarHBondContact O-N 3.38Å; L94-K98 WeakPolarHBondContact O-CB 3.33Å; L94-K98 PolarHBondContact O-N 3.1Å; L94-K98 VanDerWaalsContact O-N 3.07Å |
| 95 | V | 95.5 | Very high | 90.7 | Very high | 17 Ų | 17 | 79.1 Ų | 79.1 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L33 I36 K91 L92 R93 K98 C99 | L33-V95 HydrophobicContact CB-CG1 4.42Å; L33-V95 WeakPolarHBondContact O-CG1 3.38Å; I36-V95 HydrophobicContact CG2-CG2 3.89Å; K91-V95 VanDerWaalsContact O-CG2 3.31Å; K91-V95 WeakPolarHBondContact O-CG2 3.25Å; K91-V95 PolarHBondContact O-N 2.92Å; L92-V95 PolarHBondContact O-N 3.24Å; R93-V95 VanDerWaalsContact C-N 3.33Å; R93-V95 PolarHBondContact O-N 2.97Å; V95-K98 PolarHBondContact O-N 3.18Å; V95-C99 WeakPolarHBondContact O-CB 3.32Å; V95-C99 PolarHBondContact O-N 3.49Å |
| 96 | Y | 93 | Very high | 89.1 | Confident | 129 Ų | 129 | 85 Ų | 85 | 51% | 0.506 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 177.5 | 175.5 | -93.9 | 0 | 0 | 0 | 111.6 | L92 R93 K98 C99 N100 | L92-Y96 WeakPolarHBondContact O-CB 3.22Å; L92-Y96 PolarHBondContact O-N 3.23Å; R93-Y96 WeakPolarHBondContact O-CB 3.33Å; R93-Y96 PolarHBondContact O-N 3.21Å; Y96-K98 VanDerWaalsContact C-N 3.3Å; Y96-K98 PolarHBondContact O-N 3.33Å; Y96-C99 PolarHBondContact O-N 3.19Å; Y96-N100 HydrophobicContact CE1-CB 4.47Å; Y96-N100 WeakPolarHBondContact O-CB 3.42Å; Y96-N100 PolarHBondContact O-N 3.26Å |
| 97 | D | 93.2 | Very high | 87.4 | Confident | 54 Ų | 54 | 88.9 Ų | 88.9 | 29% | 0.289 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | -179.5 | -66.6 | -32 | 0 | 0 | 0 | 110.2 | R93 N100 E101 | R93-D97 IonicContact CZ-OD1 3.18Å; R93-D97 IonicContact CZ-OD2 3.96Å; R93-D97 IonicContact NE-OD1 3.06Å; R93-D97 PolarHBondContact NE-OD1 3.29Å; R93-D97 IonicContact NE-OD2 3.12Å; R93-D97 PolarHBondContact NE-OD2 3.44Å; R93-D97 VanDerWaalsContact NE-OD2 3.12Å; R93-D97 IonicContact NH2-OD1 2.77Å; R93-D97 PolarHBondContact NH2-OD1 2.97Å; R93-D97 IonicContact NH2-OD2 3.92Å; R93-D97 VanDerWaalsContact O-CG 3.31Å; R93-D97 PolarHBondContact O-N 2.83Å; D97-N100 PolarHBondContact O-N 3.25Å; D97-E101 WeakPolarHBondContact O-CG 3.49Å; D97-E101 PolarHBondContact O-N 3.41Å |
| 98 | K | 91.4 | Very high | 85.8 | Confident | 92 Ų | 92 | 90.3 Ų | 90.3 | 40% | 0.4 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 176.4 | -165.3 | 73.3 | -144.4 | 151 | 0 | 113.3 | L33 L94 V95 Y96 N100 E101 N102 | L33-K98 HydrophobicContact CD1-CB 4.03Å; L33-K98 HydrophobicContact CD1-CG 3.54Å; L33-K98 HydrophobicContact CD2-CG 4.28Å; L94-K98 WeakPolarHBondContact O-CB 3.33Å; L94-K98 PolarHBondContact O-N 3.1Å; L94-K98 VanDerWaalsContact O-N 3.07Å; V95-K98 PolarHBondContact O-N 3.18Å; Y96-K98 VanDerWaalsContact C-N 3.3Å; Y96-K98 PolarHBondContact O-N 3.33Å; K98-N100 VanDerWaalsContact C-N 3.32Å; K98-E101 IonicContact NZ-OE2 2.9Å; K98-E101 PolarHBondContact NZ-OE2 3.36Å; K98-N102 PolarHBondContact O-N 3.06Å; K98-N102 PolarHBondContact O-OD1 3.29Å |
| 99 | C | 88.8 | Confident | 84.4 | Confident | 21 Ų | 21 | 93.9 Ų | 93.9 | 14% | 0.142 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 177.7 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | L33 C34 V95 Y96 N102 C103 | L33-C99 HydrophobicContact CB-CB 4.36Å; C34-C99 PolarHBondContact SG-SG 3.33Å; V95-C99 WeakPolarHBondContact O-CB 3.32Å; V95-C99 PolarHBondContact O-N 3.49Å; Y96-C99 PolarHBondContact O-N 3.19Å; C99-N102 PolarHBondContact O-N 3.21Å; C99-C103 WeakPolarHBondContact O-CB 3.43Å; C99-C103 PolarHBondContact O-N 2.82Å; C99-C103 PolarHBondContact O-SG 2.89Å |
| 100 | N | 86.1 | Confident | 82.9 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | -180 | -171.4 | 75.3 | 0 | 0 | 0 | 111.8 | Y96 D97 K98 N102 C103 G104 | Y96-N100 HydrophobicContact CE1-CB 4.47Å; Y96-N100 WeakPolarHBondContact O-CB 3.42Å; Y96-N100 PolarHBondContact O-N 3.26Å; D97-N100 PolarHBondContact O-N 3.25Å; K98-N100 VanDerWaalsContact C-N 3.32Å; N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 3.05Å; N100-C103 CarbonylContact O-C 3.58Å; N100-C103 PolarHBondContact O-N 3.42Å; N100-G104 PolarHBondContact O-N 3Å |
| 101 | E | 86.7 | Confident | 81.6 | Confident | 126 Ų | 126 | 87.6 Ų | 87.6 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -55.9 | -47.2 | 170.6 | -75.1 | 171.9 | -174.4 | 0 | 0 | 111.7 | D97 K98 C103 G104 | D97-E101 WeakPolarHBondContact O-CG 3.49Å; D97-E101 PolarHBondContact O-N 3.41Å; K98-E101 IonicContact NZ-OE2 2.9Å; K98-E101 PolarHBondContact NZ-OE2 3.36Å; E101-C103 VanDerWaalsContact C-N 3.31Å; E101-C103 PolarHBondContact O-N 2.81Å; E101-G104 PolarHBondContact O-N 2.92Å |
| 102 | N | 82.3 | Confident | 80.4 | Confident | 64 Ų | 64 | 89.8 Ų | 89.8 | 34% | 0.342 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.5 | -26.9 | -179.4 | -69.8 | 7.6 | 0 | 0 | 0 | 113.2 | T30 K98 C99 N100 | T30-N102 HydrophobicContact CG2-CB 4.14Å; T30-N102 WeakPolarHBondContact OG1-CB 3.39Å; T30-N102 PolarHBondContact OG1-ND2 3.13Å; K98-N102 PolarHBondContact O-N 3.06Å; K98-N102 PolarHBondContact O-OD1 3.29Å; C99-N102 PolarHBondContact O-N 3.21Å; N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 3.05Å |
| 103 | C | 74.6 | Confident | 79.2 | Confident | 44 Ų | 44 | 94.4 Ų | 94.4 | 30% | 0.297 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -91.3 | -3 | 178 | -69.5 | 0 | 0 | 0 | 0 | 113.5 | T30 C99 N100 E101 G105 M106 | T30-C103 VanDerWaalsContact CG2-SG 3.54Å; C99-C103 WeakPolarHBondContact O-CB 3.43Å; C99-C103 PolarHBondContact O-N 2.82Å; C99-C103 PolarHBondContact O-SG 2.89Å; N100-C103 CarbonylContact O-C 3.58Å; N100-C103 PolarHBondContact O-N 3.42Å; E101-C103 VanDerWaalsContact C-N 3.31Å; E101-C103 PolarHBondContact O-N 2.81Å; C103-G105 PolarHBondContact O-N 2.83Å; C103-M106 PolarHBondContact O-N 2.83Å |
| 104 | G | 69.3 | Low | 78.1 | Confident | 71 Ų | 71 | 92.8 Ų | 92.8 | 73% | 0.732 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -4.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | N100 E101 | N100-G104 PolarHBondContact O-N 3Å; E101-G104 PolarHBondContact O-N 2.92Å |
| 105 | G | 65.2 | Low | 77 | Confident | 69 Ų | 69 | 92.5 Ų | 92.5 | 71% | 0.711 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 1.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C103 D107 | C103-G105 PolarHBondContact O-N 2.83Å; G105-D107 PolarHBondContact O-N 3.42Å |
| 106 | M | 64.7 | Low | 75.8 | Confident | 149 Ų | 149 | 96.9 Ų | 96.9 | 73% | 0.734 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -90.2 | 94.6 | 172.1 | -63.9 | -70.5 | 142.7 | 0 | 0 | 106.6 | C103 | C103-M106 PolarHBondContact O-N 2.83Š|
| 107 | D | 62.1 | Low | 74.3 | Confident | 145 Ų | 145 | 100.4 Ų | 100.4 | 78% | 0.775 | 56% | 0.556 | S | S | * | * | trans | -50.4 | 128.5 | 169.4 | -83.4 | -48.5 | 0 | 0 | 0 | 108.1 | G105 I109 | G105-D107 PolarHBondContact O-N 3.42Å; D107-I109 PolarHBondContact O-N 3.27Å | ||
| 108 | P | 65.5 | Low | 72.9 | Confident | 114 Ų | 114 | 103.6 Ų | 103.6 | 74% | 0.74 | 58% | 0.577 | S | S | * | * | trans | -58.2 | 108.1 | 180 | 20.5 | -29.4 | 0 | 0 | 0 | 107.9 | P110 | P108-P110 WeakPolarHBondContact O-CD 3.18Š| ||
| 109 | I | 67.5 | Low | 71.3 | Confident | 100 Ų | 100 | 105.9 Ų | 105.9 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | trans | -58.4 | 115.9 | 173.8 | -61.4 | 174.3 | 0 | 0 | 0 | 105.2 | D107 V111 Q113 L114 | D107-I109 PolarHBondContact O-N 3.27Å; I109-V111 PolarHBondContact O-N 3.37Å; I109-Q113 HydrophobicContact CG2-CB 3.74Å; I109-L114 HydrophobicContact CB-CD2 4.32Å; I109-L114 HydrophobicContact CD1-CD2 4.41Å; I109-L114 HydrophobicContact CG2-CD2 3.84Å; I109-L114 HydrophobicContact CG2-CG 3.96Å | ||
| 110 | P | 67.7 | Low | 69.6 | Low | 58 Ų | 58 | 113.1 Ų | 113.1 | 38% | 0.377 | 62% | 0.621 | S | S | . | * | trans | -51.9 | 133.4 | 177.6 | -23.9 | 33.2 | 0 | 0 | 0 | 108.2 | P108 E112 Q113 | P108-P110 WeakPolarHBondContact O-CD 3.18Å; P110-E112 VanDerWaalsContact C-OE2 3.31Å; P110-E112 WeakPolarHBondContact CB-OE2 3.09Å; P110-E112 PolarHBondContact O-N 2.81Å; P110-Q113 WeakPolarHBondContact O-CB 3.47Å; P110-Q113 PolarHBondContact O-N 2.94Å | ||
| 111 | V | 71.1 | Confident | 67.8 | Low | 97 Ų | 97 | 115.3 Ų | 115.3 | 59% | 0.588 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -26 | -174.6 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | I109 Q113 L114 | I109-V111 PolarHBondContact O-N 3.37Å; V111-Q113 VanDerWaalsContact C-N 3.3Å; V111-Q113 PolarHBondContact O-N 3.26Å; V111-L114 PolarHBondContact O-N 3.41Å |
| 112 | E | 72.1 | Confident | 65.6 | Low | 133 Ų | 133 | 112.9 Ų | 112.9 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -32.4 | 174.9 | -58.2 | 76.5 | -163.8 | 0 | 0 | 113.1 | P110 | P110-E112 VanDerWaalsContact C-OE2 3.31Å; P110-E112 WeakPolarHBondContact CB-OE2 3.09Å; P110-E112 PolarHBondContact O-N 2.81Å |
| 113 | Q | 71.9 | Confident | 63.9 | Low | 140 Ų | 140 | 115.2 Ų | 115.2 | 65% | 0.654 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -21.7 | 177.9 | -67.1 | -177.9 | 4.5 | 0 | 0 | 113.2 | I109 P110 V111 I115 | I109-Q113 HydrophobicContact CG2-CB 3.74Å; P110-Q113 WeakPolarHBondContact O-CB 3.47Å; P110-Q113 PolarHBondContact O-N 2.94Å; V111-Q113 VanDerWaalsContact C-N 3.3Å; V111-Q113 PolarHBondContact O-N 3.26Å; Q113-I115 PolarHBondContact O-N 3.34Å |
| 114 | L | 75.6 | Confident | 62.3 | Low | 113 Ų | 113 | 122.6 Ų | 122.6 | 59% | 0.592 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -71.9 | -14 | 176 | -65.8 | 174.5 | 0 | 0 | 0 | 112.4 | I109 V111 P116 | I109-L114 HydrophobicContact CB-CD2 4.32Å; I109-L114 HydrophobicContact CD1-CD2 4.41Å; I109-L114 HydrophobicContact CG2-CD2 3.84Å; I109-L114 HydrophobicContact CG2-CG 3.96Å; V111-L114 PolarHBondContact O-N 3.41Å; L114-P116 WeakPolarHBondContact O-CD 3.33Å |
| 115 | I | 73.6 | Confident | 61 | Low | 117 Ų | 117 | 126.5 Ų | 126.5 | 60% | 0.6 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -89.2 | 111.8 | 172.5 | -53.9 | 174.4 | 0 | 0 | 0 | 106.7 | Q113 Y117 | Q113-I115 PolarHBondContact O-N 3.34Å; I115-Y117 PolarHBondContact O-N 3.41Å |
| 116 | P | 69.1 | Low | 60 | Low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | trans | -55.8 | 116.6 | 171.6 | -22.8 | 34.2 | 0 | 0 | 0 | 109.1 | L114 V118 | L114-P116 WeakPolarHBondContact O-CD 3.33Å; P116-V118 PolarHBondContact O-N 3.17Å; P116-V118 VanDerWaalsContact O-N 3.07Å | ||
| 117 | Y | 62.7 | Low | 59.2 | Low | 203 Ų | 203 | 129.7 Ų | 129.7 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | -71 | 102.8 | 173.3 | -168.2 | -100.8 | 0 | 0 | 0 | 107.4 | I115 E119 | I115-Y117 PolarHBondContact O-N 3.41Å; Y117-E119 HydrophobicContact CD1-CG 3.79Å; Y117-E119 HydrophobicContact CE1-CG 3.87Å; Y117-E119 PolarHBondContact O-N 3.47Å | ||
| 118 | V | 62.3 | Low | 58.6 | Low | 122 Ų | 122 | 133.1 Ų | 133.1 | 74% | 0.739 | 70% | 0.7 | S | S | * | * | trans | -75.2 | 103.6 | 168.8 | -177.2 | 0 | 0 | 0 | 0 | 105.5 | P116 E120 | P116-V118 PolarHBondContact O-N 3.17Å; P116-V118 VanDerWaalsContact O-N 3.07Å; V118-E120 PolarHBondContact O-N 3.14Å | ||
| 119 | E | 59.3 | Low | 57.7 | Low | 140 Ų | 140 | 132.5 Ų | 132.5 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | trans | -58 | 109.1 | 164.4 | -68.1 | -164.1 | 149.6 | 0 | 0 | 106.6 | Y117 D121 | Y117-E119 HydrophobicContact CD1-CG 3.79Å; Y117-E119 HydrophobicContact CE1-CG 3.87Å; Y117-E119 PolarHBondContact O-N 3.47Å; E119-D121 PolarHBondContact O-N 3.42Å | ||
| 120 | E | 53 | Low | 56.7 | Low | 172 Ų | 172 | 128.9 Ų | 128.9 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | trans | -75.3 | 57.6 | 175.2 | -158.1 | -175.3 | 173.2 | 0 | 0 | 108.6 | V118 G122 | V118-E120 PolarHBondContact O-N 3.14Å; E120-G122 PolarHBondContact O-N 2.86Å; E120-G122 VanDerWaalsContact O-N 3.15Å | ||
| 121 | D | 47.8 | Very low | 56.2 | Low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | -72.3 | 106.8 | 165.7 | -85.4 | -24.7 | 0 | 0 | 0 | 107 | E119 S123 | E119-D121 PolarHBondContact O-N 3.42Å; D121-S123 PolarHBondContact O-N 3.01Å | ||
| 122 | G | 40.7 | Very low | 55.4 | Low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | trans | -47.2 | 97.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E120 | E120-G122 PolarHBondContact O-N 2.86Å; E120-G122 VanDerWaalsContact O-N 3.15Å | ||
| 123 | S | 45.9 | Very low | 54.6 | Low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | trans | -143.4 | 86.3 | 162.8 | -94.5 | 0 | 0 | 0 | 0 | 109.1 | D121 | D121-S123 PolarHBondContact O-N 3.01Š| ||
| 124 | K | 41.9 | Very low | 53.9 | Low | 200 Ų | 200 | 133.4 Ų | 133.4 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | trans | 28.9 | 117.6 | 139 | -60.8 | 178.7 | 175.1 | -179.9 | 0 | 116.4 | ||||
| 125 | N | 40.9 | Very low | 53.4 | Low | 153 Ų | 153 | 130.4 Ų | 130.4 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | 71.9 | 93.5 | 143.9 | -119 | 12.7 | 0 | 0 | 0 | 115.9 | ||||
| 126 | D | 45.3 | Very low | 53.5 | Low | 131 Ų | 131 | 128.2 Ų | 128.2 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | -158.7 | 119.1 | 126.4 | -151.9 | -111.5 | 0 | 0 | 0 | 109.2 | R128 | D126-R128 PolarHBondContact O-N 3.07Å; D126-R128 IonicContact OD1-NH1 2.81Å | |||
| 127 | D | 46.7 | Very low | 53.8 | Low | 153 Ų | 153 | 127.9 Ų | 127.9 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | trans | -55.7 | 98.7 | 167.7 | -85.4 | -71.9 | 0 | 0 | 0 | 110.7 | ||||
| 128 | R | 51 | Low | 54.4 | Low | 218 Ų | 218 | 123.8 Ų | 123.8 | 82% | 0.823 | 67% | 0.674 | S | S | * | * | trans | -144 | 96.6 | 160.2 | -108.3 | 166.4 | 176.9 | 126.1 | -3.7 | 110.9 | D126 G130 | D126-R128 PolarHBondContact O-N 3.07Å; D126-R128 IonicContact OD1-NH1 2.81Å; R128-G130 PolarHBondContact O-N 3.35Å | ||
| 129 | A | 46.1 | Very low | 55.3 | Low | 100 Ų | 100 | 127.3 Ų | 127.3 | 83% | 0.826 | 67% | 0.674 | S | S | * | * | trans | -47.8 | 115 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 130 | G | 46.6 | Very low | 56.5 | Low | 25 Ų | 25 | 127.8 Ų | 127.8 | 26% | 0.258 | 67% | 0.67 | S | S | . | * | trans | -124.7 | 145.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R128 P132 R133 | R128-G130 PolarHBondContact O-N 3.35Å; G130-P132 WeakPolarHBondContact O-CD 3.28Å; G130-R133 PolarHBondContact O-N 3.48Å | ||
| 131 | P | 57.3 | Low | 58.1 | Low | 106 Ų | 106 | 125.5 Ų | 125.5 | 69% | 0.688 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -49.4 | -34.4 | -179.4 | -26.6 | 33.6 | 0 | 0 | 0 | 118.2 | R133 F134 A135 | P131-R133 PolarHBondContact O-N 3.34Å; P131-F134 PolarHBondContact O-N 3.11Å; P131-F134 VanDerWaalsContact O-N 3.11Å; P131-A135 PolarHBondContact O-N 2.89Å |
| 132 | P | 53.6 | Low | 59.9 | Low | 102 Ų | 102 | 123.1 Ų | 123.1 | 66% | 0.662 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.1 | -24 | -175.3 | 21.1 | -31.5 | 0 | 0 | 0 | 113.9 | G130 S136 | G130-P132 WeakPolarHBondContact O-CD 3.28Å; P132-S136 PolarHBondContact O-N 3.45Å; P132-S136 PolarHBondContact O-OG 3.22Å |
| 133 | R | 55.2 | Low | 62.2 | Low | 178 Ų | 178 | 122.4 Ų | 122.4 | 67% | 0.672 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.9 | -36.8 | 173.3 | -79.8 | -169 | 149.3 | 176 | -4.5 | 112.5 | G130 P131 S136 E137 | G130-R133 PolarHBondContact O-N 3.48Å; P131-R133 PolarHBondContact O-N 3.34Å; R133-S136 PolarHBondContact O-N 3.03Å; R133-S136 PolarHBondContact O-OG 3.35Å; R133-E137 VanDerWaalsContact O-CB 3.24Å; R133-E137 WeakPolarHBondContact O-CB 3.22Å; R133-E137 PolarHBondContact O-N 3.33Å |
| 134 | F | 57.2 | Low | 64.5 | Low | 137 Ų | 137 | 121.4 Ų | 121.4 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.7 | -41.2 | 177 | -71.5 | -76 | 0 | 0 | 0 | 111.7 | P131 S136 E137 E138 | P131-F134 PolarHBondContact O-N 3.11Å; P131-F134 VanDerWaalsContact O-N 3.11Å; F134-S136 VanDerWaalsContact C-N 3.35Å; F134-S136 PolarHBondContact O-N 3.2Å; F134-E137 PolarHBondContact O-N 3.19Å; F134-E138 VanDerWaalsContact O-CB 3.22Å; F134-E138 WeakPolarHBondContact O-CB 3.38Å; F134-E138 PolarHBondContact O-N 3.22Å |
| 135 | A | 66.3 | Low | 66.9 | Low | 49 Ų | 49 | 116 Ų | 116 | 41% | 0.405 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.1 | -34.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P131 R139 | P131-A135 PolarHBondContact O-N 2.89Å; A135-R139 WeakPolarHBondContact O-CB 3.3Å; A135-R139 VanDerWaalsContact O-CG 3.28Å; A135-R139 WeakPolarHBondContact O-CG 3.5Å; A135-R139 PolarHBondContact O-N 2.95Å; A135-R139 VanDerWaalsContact O-N 3.14Å |
| 136 | S | 74.7 | Confident | 69.3 | Low | 71 Ų | 71 | 112.4 Ų | 112.4 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.4 | -38.4 | 176.3 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | P132 R133 F134 R139 R140 | P132-S136 PolarHBondContact O-N 3.45Å; P132-S136 PolarHBondContact O-OG 3.22Å; R133-S136 PolarHBondContact O-N 3.03Å; R133-S136 PolarHBondContact O-OG 3.35Å; F134-S136 VanDerWaalsContact C-N 3.35Å; F134-S136 PolarHBondContact O-N 3.2Å; S136-R139 PolarHBondContact O-N 3.41Å; S136-R140 WeakPolarHBondContact O-CB 3.24Å; S136-R140 PolarHBondContact O-N 2.93Å |
| 137 | E | 75 | Confident | 71.7 | Confident | 102 Ų | 102 | 112.8 Ų | 112.8 | 48% | 0.477 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.4 | -44.1 | 176.6 | -168.9 | 161.1 | -151.3 | 0 | 0 | 111.7 | R133 F134 R139 R140 E141 | R133-E137 VanDerWaalsContact O-CB 3.24Å; R133-E137 WeakPolarHBondContact O-CB 3.22Å; R133-E137 PolarHBondContact O-N 3.33Å; F134-E137 PolarHBondContact O-N 3.19Å; E137-R139 PolarHBondContact O-N 3.13Å; E137-R140 WeakPolarHBondContact O-CB 3.45Å; E137-R140 PolarHBondContact O-N 2.93Å; E137-R140 VanDerWaalsContact O-N 3.13Å; E137-E141 PolarHBondContact O-N 3.45Å |
| 138 | E | 76.7 | Confident | 74 | Confident | 118 Ų | 118 | 111.7 Ų | 111.7 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.1 | -45.7 | 173.3 | -177.4 | -178.2 | -164.3 | 0 | 0 | 111.2 | F134 R140 E141 I142 | F134-E138 VanDerWaalsContact O-CB 3.22Å; F134-E138 WeakPolarHBondContact O-CB 3.38Å; F134-E138 PolarHBondContact O-N 3.22Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 3.21Å; E138-E141 PolarHBondContact O-N 2.93Å; E138-I142 HydrophobicContact CG-CD1 3.92Å; E138-I142 WeakPolarHBondContact O-CB 3.43Å; E138-I142 VanDerWaalsContact O-CG1 3.24Å; E138-I142 WeakPolarHBondContact O-CG1 3.41Å; E138-I142 PolarHBondContact O-N 2.86Å |
| 139 | R | 80.5 | Confident | 76.1 | Confident | 195 Ų | 195 | 105.7 Ų | 105.7 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.9 | -38.6 | 175.2 | -79.2 | 178 | -176.6 | -101 | 2.4 | 112.3 | A135 S136 E137 A143 | A135-R139 WeakPolarHBondContact O-CB 3.3Å; A135-R139 VanDerWaalsContact O-CG 3.28Å; A135-R139 WeakPolarHBondContact O-CG 3.5Å; A135-R139 PolarHBondContact O-N 2.95Å; A135-R139 VanDerWaalsContact O-N 3.14Å; S136-R139 PolarHBondContact O-N 3.41Å; E137-R139 PolarHBondContact O-N 3.13Å; R139-A143 WeakPolarHBondContact O-CB 3.47Å; R139-A143 PolarHBondContact O-N 3.02Å |
| 140 | R | 84.3 | Confident | 78.5 | Confident | 151 Ų | 151 | 108.4 Ų | 108.4 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.6 | -45.6 | 177 | -166.2 | -178.6 | 88.4 | -148.2 | -5.4 | 110.9 | S136 E137 E138 A143 E144 | S136-R140 WeakPolarHBondContact O-CB 3.24Å; S136-R140 PolarHBondContact O-N 2.93Å; E137-R140 WeakPolarHBondContact O-CB 3.45Å; E137-R140 PolarHBondContact O-N 2.93Å; E137-R140 VanDerWaalsContact O-N 3.13Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 3.21Å; R140-A143 WeakPolarHBondContact O-CB 3.33Å; R140-A143 PolarHBondContact O-N 3Å; R140-E144 IonicContact NE-OE1 3.45Å; R140-E144 PolarHBondContact NE-OE1 3.44Å; R140-E144 WeakPolarHBondContact O-CG 3.41Å; R140-E144 PolarHBondContact O-N 3.45Å |
| 141 | E | 85.7 | Confident | 80.8 | Confident | 123 Ų | 123 | 112 Ų | 112 | 58% | 0.575 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62 | -45.9 | 178.2 | -170.9 | 176.2 | -172.9 | 0 | 0 | 111.4 | E137 E138 A143 E144 V145 | E137-E141 PolarHBondContact O-N 3.45Å; E138-E141 PolarHBondContact O-N 2.93Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 2.9Å; E141-E144 PolarHBondContact O-N 2.96Å; E141-V145 WeakPolarHBondContact O-CB 3.46Å; E141-V145 WeakPolarHBondContact O-CG2 3.49Å; E141-V145 PolarHBondContact O-N 3.43Å |
| 142 | I | 87.4 | Confident | 82.7 | Confident | 86 Ų | 86 | 113.1 Ų | 113.1 | 44% | 0.441 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 175 | -68.9 | 167.6 | 0 | 0 | 0 | 111.1 | E138 N146 | E138-I142 HydrophobicContact CG-CD1 3.92Å; E138-I142 WeakPolarHBondContact O-CB 3.43Å; E138-I142 VanDerWaalsContact O-CG1 3.24Å; E138-I142 WeakPolarHBondContact O-CG1 3.41Å; E138-I142 PolarHBondContact O-N 2.86Å; I142-N146 WeakPolarHBondContact CG2-ND2 3.47Å; I142-N146 VanDerWaalsContact O-CB 3.3Å; I142-N146 WeakPolarHBondContact O-CB 3.24Å; I142-N146 PolarHBondContact O-N 3.26Å; I142-N146 PolarHBondContact O-ND2 3.26Å |
| 143 | A | 88.9 | Confident | 84.8 | Confident | 60 Ų | 60 | 112.7 Ų | 112.7 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R139 R140 E141 N146 K147 | R139-A143 WeakPolarHBondContact O-CB 3.47Å; R139-A143 PolarHBondContact O-N 3.02Å; R140-A143 WeakPolarHBondContact O-CB 3.33Å; R140-A143 PolarHBondContact O-N 3Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 2.9Å; A143-N146 PolarHBondContact O-N 3.41Å; A143-K147 WeakPolarHBondContact O-CB 3.45Å; A143-K147 PolarHBondContact O-N 3.05Å |
| 144 | E | 92.6 | Very high | 86.8 | Confident | 92 Ų | 92 | 110.2 Ų | 110.2 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 176.4 | -74.8 | -178.4 | -154.8 | 0 | 0 | 112.3 | R140 E141 K147 K148 | R140-E144 IonicContact NE-OE1 3.45Å; R140-E144 PolarHBondContact NE-OE1 3.44Å; R140-E144 WeakPolarHBondContact O-CG 3.41Å; R140-E144 PolarHBondContact O-N 3.45Å; E141-E144 PolarHBondContact O-N 2.96Å; E144-K147 WeakPolarHBondContact O-CB 3.46Å; E144-K147 PolarHBondContact O-N 2.95Å; E144-K148 PolarHBondContact O-N 3.29Å |
| 145 | V | 93 | Very high | 88.7 | Confident | 85 Ų | 85 | 108.2 Ų | 108.2 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | E141 K147 K148 L149 | E141-V145 WeakPolarHBondContact O-CB 3.46Å; E141-V145 WeakPolarHBondContact O-CG2 3.49Å; E141-V145 PolarHBondContact O-N 3.43Å; V145-K147 VanDerWaalsContact C-N 3.32Å; V145-K147 PolarHBondContact O-N 3.07Å; V145-K148 PolarHBondContact O-N 3.37Å; V145-L149 WeakPolarHBondContact O-CB 3.38Å; V145-L149 PolarHBondContact O-N 2.97Å |
| 146 | N | 91.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 110.4 Ų | 110.4 | 42% | 0.417 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 175.9 | -89.1 | -64.1 | 0 | 0 | 0 | 112.7 | I142 A143 L149 K150 | I142-N146 WeakPolarHBondContact CG2-ND2 3.47Å; I142-N146 VanDerWaalsContact O-CB 3.3Å; I142-N146 WeakPolarHBondContact O-CB 3.24Å; I142-N146 PolarHBondContact O-N 3.26Å; I142-N146 PolarHBondContact O-ND2 3.26Å; A143-N146 PolarHBondContact O-N 3.41Å; N146-L149 PolarHBondContact O-N 2.93Å; N146-K150 WeakPolarHBondContact O-CG 3.42Å; N146-K150 PolarHBondContact O-N 3.48Å |
| 147 | K | 94.5 | Very high | 91.3 | Very high | 139 Ų | 139 | 113.4 Ų | 113.4 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.3 | -47.4 | 175.3 | -175.2 | 179.7 | 178.3 | -178.8 | 0 | 111.1 | A143 E144 V145 L149 K150 Q151 | A143-K147 WeakPolarHBondContact O-CB 3.45Å; A143-K147 PolarHBondContact O-N 3.05Å; E144-K147 WeakPolarHBondContact O-CB 3.46Å; E144-K147 PolarHBondContact O-N 2.95Å; V145-K147 VanDerWaalsContact C-N 3.32Å; V145-K147 PolarHBondContact O-N 3.07Å; K147-L149 VanDerWaalsContact C-N 3.34Å; K147-L149 PolarHBondContact O-N 3.44Å; K147-K150 PolarHBondContact O-N 3.43Å; K147-Q151 WeakPolarHBondContact O-CG 3.41Å; K147-Q151 PolarHBondContact O-N 2.84Å; K147-Q151 VanDerWaalsContact O-N 3.07Å |
| 148 | K | 95.2 | Very high | 92.4 | Very high | 131 Ų | 131 | 113.8 Ų | 113.8 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.2 | -41.6 | 175.7 | -75 | 175.5 | -179.7 | 168.5 | 0 | 111.8 | E144 V145 Q151 K152 | E144-K148 PolarHBondContact O-N 3.29Å; V145-K148 PolarHBondContact O-N 3.37Å; K148-Q151 PolarHBondContact O-N 2.94Å; K148-K152 WeakPolarHBondContact O-CG 3.5Å; K148-K152 PolarHBondContact O-N 2.96Å |
| 149 | L | 96.2 | Very high | 93.4 | Very high | 92 Ų | 92 | 112.3 Ų | 112.3 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 177.4 | -178.2 | 63.1 | 0 | 0 | 0 | 111.7 | V145 N146 K147 Q151 K152 N153 | V145-L149 WeakPolarHBondContact O-CB 3.38Å; V145-L149 PolarHBondContact O-N 2.97Å; N146-L149 PolarHBondContact O-N 2.93Å; K147-L149 VanDerWaalsContact C-N 3.34Å; K147-L149 PolarHBondContact O-N 3.44Å; L149-Q151 VanDerWaalsContact C-N 3.33Å; L149-Q151 PolarHBondContact O-N 3.26Å; L149-K152 PolarHBondContact O-N 3.4Å; L149-N153 PolarHBondContact O-N 2.94Å |
| 150 | K | 94.9 | Very high | 94.2 | Very high | 157 Ų | 157 | 107.3 Ų | 107.3 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | 175.1 | -76.5 | 179.6 | 180 | -180 | 0 | 111.8 | N146 K147 N153 Q154 | N146-K150 WeakPolarHBondContact O-CG 3.42Å; N146-K150 PolarHBondContact O-N 3.48Å; K147-K150 PolarHBondContact O-N 3.43Å; K150-N153 PolarHBondContact O-N 3.27Å; K150-Q154 PolarHBondContact O-N 2.93Å |
| 151 | Q | 96.7 | Very high | 94.8 | Very high | 101 Ų | 101 | 103.1 Ų | 103.1 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 176.5 | -71.8 | 173.9 | -18.4 | 0 | 0 | 112 | K147 K148 L149 Q154 Q155 | K147-Q151 WeakPolarHBondContact O-CG 3.41Å; K147-Q151 PolarHBondContact O-N 2.84Å; K147-Q151 VanDerWaalsContact O-N 3.07Å; K148-Q151 PolarHBondContact O-N 2.94Å; L149-Q151 VanDerWaalsContact C-N 3.33Å; L149-Q151 PolarHBondContact O-N 3.26Å; Q151-Q154 PolarHBondContact O-N 2.81Å; Q151-Q155 WeakPolarHBondContact O-CG 3.47Å; Q151-Q155 PolarHBondContact O-N 3.15Å |
| 152 | K | 97.2 | Very high | 95.4 | Very high | 128 Ų | 128 | 103.2 Ų | 103.2 | 56% | 0.557 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 178.1 | -73.6 | -72.1 | 176.5 | -173 | 0 | 112.7 | K148 L149 Q154 Q155 L156 | K148-K152 WeakPolarHBondContact O-CG 3.5Å; K148-K152 PolarHBondContact O-N 2.96Å; L149-K152 PolarHBondContact O-N 3.4Å; K152-Q154 VanDerWaalsContact C-N 3.3Å; K152-Q154 PolarHBondContact O-N 2.83Å; K152-Q155 PolarHBondContact O-N 3.27Å; K152-L156 WeakPolarHBondContact O-CG 3.43Å; K152-L156 PolarHBondContact O-N 2.88Å |
| 153 | N | 97.7 | Very high | 95.9 | Very high | 94 Ų | 94 | 103.7 Ų | 103.7 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 174 | -83.3 | -24.4 | 0 | 0 | 0 | 112.2 | L149 K150 L156 K157 | L149-N153 PolarHBondContact O-N 2.94Å; K150-N153 PolarHBondContact O-N 3.27Å; N153-L156 PolarHBondContact O-N 3.45Å; N153-K157 PolarHBondContact O-N 3.33Å |
| 154 | Q | 97.3 | Very high | 96.3 | Very high | 126 Ų | 126 | 106.9 Ų | 106.9 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -40.4 | 176.1 | -166.9 | 171.9 | 8.8 | 0 | 0 | 111.9 | K150 Q151 K152 K157 Q158 | K150-Q154 PolarHBondContact O-N 2.93Å; Q151-Q154 PolarHBondContact O-N 2.81Å; K152-Q154 VanDerWaalsContact C-N 3.3Å; K152-Q154 PolarHBondContact O-N 2.83Å; Q154-K157 PolarHBondContact O-N 3.47Å; Q154-Q158 WeakPolarHBondContact O-CG 3.35Å; Q154-Q158 PolarHBondContact O-N 2.97Å; Q154-Q158 VanDerWaalsContact O-N 3.12Å |
| 155 | Q | 97.2 | Very high | 96.5 | Very high | 94 Ų | 94 | 107.1 Ų | 107.1 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 173.3 | -71.5 | 179.4 | -20.2 | 0 | 0 | 112 | Q151 K152 K157 Q158 I159 | Q151-Q155 WeakPolarHBondContact O-CG 3.47Å; Q151-Q155 PolarHBondContact O-N 3.15Å; K152-Q155 PolarHBondContact O-N 3.27Å; Q155-K157 VanDerWaalsContact C-N 3.28Å; Q155-K157 PolarHBondContact O-N 2.92Å; Q155-Q158 WeakPolarHBondContact O-CB 3.33Å; Q155-Q158 PolarHBondContact O-N 3.12Å; Q155-I159 WeakPolarHBondContact O-CG1 3.29Å; Q155-I159 PolarHBondContact O-N 3.27Å |
| 156 | L | 97.8 | Very high | 96.7 | Very high | 96 Ų | 96 | 107.9 Ų | 107.9 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 177.8 | -73.4 | 174.1 | 0 | 0 | 0 | 112.1 | K152 N153 I159 M160 | K152-L156 WeakPolarHBondContact O-CG 3.43Å; K152-L156 PolarHBondContact O-N 2.88Å; N153-L156 PolarHBondContact O-N 3.45Å; L156-I159 PolarHBondContact O-N 3.38Å; L156-M160 WeakPolarHBondContact O-CB 3.38Å; L156-M160 PolarHBondContact O-N 3.04Å |
| 157 | K | 97.3 | Very high | 96.9 | Very high | 134 Ų | 134 | 108.8 Ų | 108.8 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | 175.6 | -172.6 | 168.6 | -178.4 | 171.6 | 0 | 111.7 | N153 Q154 Q155 I159 M160 D161 | N153-K157 PolarHBondContact O-N 3.33Å; Q154-K157 PolarHBondContact O-N 3.47Å; Q155-K157 VanDerWaalsContact C-N 3.28Å; Q155-K157 PolarHBondContact O-N 2.92Å; K157-I159 VanDerWaalsContact C-N 3.34Å; K157-I159 PolarHBondContact O-N 3Å; K157-M160 PolarHBondContact O-N 3.23Å; K157-D161 VanDerWaalsContact O-CG 3.29Å; K157-D161 PolarHBondContact O-N 2.98Å |
| 158 | Q | 97.5 | Very high | 96.9 | Very high | 109 Ų | 109 | 111.1 Ų | 111.1 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 176.2 | -71.2 | 172.3 | -6.3 | 0 | 0 | 112.1 | Q154 Q155 D161 Q162 | Q154-Q158 WeakPolarHBondContact O-CG 3.35Å; Q154-Q158 PolarHBondContact O-N 2.97Å; Q154-Q158 VanDerWaalsContact O-N 3.12Å; Q155-Q158 WeakPolarHBondContact O-CB 3.33Å; Q155-Q158 PolarHBondContact O-N 3.12Å; Q158-D161 PolarHBondContact O-N 3.37Å; Q158-Q162 WeakPolarHBondContact O-CG 3.42Å; Q158-Q162 PolarHBondContact O-N 2.98Å |
| 159 | I | 97.7 | Very high | 97 | Very high | 87 Ų | 87 | 109.3 Ų | 109.3 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 177.4 | -66 | 166.6 | 0 | 0 | 0 | 110.7 | Q155 L156 K157 D161 Q162 L163 | Q155-I159 WeakPolarHBondContact O-CG1 3.29Å; Q155-I159 PolarHBondContact O-N 3.27Å; L156-I159 PolarHBondContact O-N 3.38Å; K157-I159 VanDerWaalsContact C-N 3.34Å; K157-I159 PolarHBondContact O-N 3Å; I159-D161 VanDerWaalsContact C-N 3.3Å; I159-D161 PolarHBondContact O-N 3.39Å; I159-Q162 PolarHBondContact O-N 2.96Å; I159-L163 HydrophobicContact CG2-CD1 4.11Å; I159-L163 HydrophobicContact CG2-CG 4.44Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 3.41Å |
| 160 | M | 97 | Very high | 97 | Very high | 90 Ų | 90 | 109 Ų | 109 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 177.3 | -107.4 | -173 | -70.7 | 0 | 0 | 112.2 | L156 K157 L163 R164 | L156-M160 WeakPolarHBondContact O-CB 3.38Å; L156-M160 PolarHBondContact O-N 3.04Å; K157-M160 PolarHBondContact O-N 3.23Å; M160-L163 PolarHBondContact O-N 3.49Å; M160-R164 WeakPolarHBondContact O-CG 3.39Å; M160-R164 PolarHBondContact O-N 3.3Å |
| 161 | D | 98 | Very high | 96.9 | Very high | 63 Ų | 63 | 105.8 Ų | 105.8 | 34% | 0.337 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.4 | -36.5 | -179.1 | -65.5 | -22.4 | 0 | 0 | 0 | 111.3 | K157 Q158 I159 R164 N165 | K157-D161 VanDerWaalsContact O-CG 3.29Å; K157-D161 PolarHBondContact O-N 2.98Å; Q158-D161 PolarHBondContact O-N 3.37Å; I159-D161 VanDerWaalsContact C-N 3.3Å; I159-D161 PolarHBondContact O-N 3.39Å; D161-R164 PolarHBondContact O-N 3.34Å; D161-R164 IonicContact OD1-NH1 3.69Å; D161-R164 PolarHBondContact OD1-NH1 3.12Å; D161-N165 VanDerWaalsContact O-CG 3.28Å; D161-N165 PolarHBondContact O-N 3.2Å; D161-N165 PolarHBondContact O-ND2 3.43Å |
| 162 | Q | 97.3 | Very high | 96.8 | Very high | 125 Ų | 125 | 103.4 Ų | 103.4 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 170.4 | -74.2 | 175.9 | -12 | 0 | 0 | 112.2 | Q158 I159 R164 N165 L166 | Q158-Q162 WeakPolarHBondContact O-CG 3.42Å; Q158-Q162 PolarHBondContact O-N 2.98Å; I159-Q162 PolarHBondContact O-N 2.96Å; Q162-R164 VanDerWaalsContact C-N 3.32Å; Q162-R164 PolarHBondContact O-N 3.45Å; Q162-N165 PolarHBondContact O-N 3.25Å; Q162-L166 WeakPolarHBondContact O-CG 3.49Å; Q162-L166 PolarHBondContact O-N 3.39Å |
| 163 | L | 97.8 | Very high | 96.6 | Very high | 97 Ų | 97 | 102.9 Ų | 102.9 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 177.2 | -71.9 | 173.8 | 0 | 0 | 0 | 111.7 | I159 M160 L166 I167 | I159-L163 HydrophobicContact CG2-CD1 4.11Å; I159-L163 HydrophobicContact CG2-CG 4.44Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 3.41Å; M160-L163 PolarHBondContact O-N 3.49Å; L163-L166 PolarHBondContact O-N 3Å; L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.36Å |
| 164 | R | 97.2 | Very high | 96.4 | Very high | 127 Ų | 127 | 103.1 Ų | 103.1 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 174.3 | -75.9 | 177.2 | -175 | 113.1 | 8.4 | 111.3 | M160 D161 Q162 L166 I167 W168 | M160-R164 WeakPolarHBondContact O-CG 3.39Å; M160-R164 PolarHBondContact O-N 3.3Å; D161-R164 PolarHBondContact O-N 3.34Å; D161-R164 IonicContact OD1-NH1 3.69Å; D161-R164 PolarHBondContact OD1-NH1 3.12Å; Q162-R164 VanDerWaalsContact C-N 3.32Å; Q162-R164 PolarHBondContact O-N 3.45Å; R164-L166 PolarHBondContact O-N 2.93Å; R164-I167 PolarHBondContact O-N 2.93Å; R164-W168 VanDerWaalsContact O-CD1 3.25Å; R164-W168 PolarHBondContact O-N 3.4Å |
| 165 | N | 96.6 | Very high | 96.1 | Very high | 97 Ų | 97 | 100.3 Ų | 100.3 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 178.3 | -68.7 | -18.9 | 0 | 0 | 0 | 111.8 | D161 Q162 I167 W168 D169 | D161-N165 VanDerWaalsContact O-CG 3.28Å; D161-N165 PolarHBondContact O-N 3.2Å; D161-N165 PolarHBondContact O-ND2 3.43Å; Q162-N165 PolarHBondContact O-N 3.25Å; N165-I167 VanDerWaalsContact C-N 3.32Å; N165-I167 PolarHBondContact O-N 3.38Å; N165-W168 WeakPolarHBondContact O-CA 3.39Å; N165-W168 WeakPolarHBondContact O-CB 3.35Å; N165-W168 PolarHBondContact O-N 3.23Å; N165-W168 VanDerWaalsContact O-N 3.12Å; N165-D169 PolarHBondContact O-N 3.37Å |
| 166 | L | 97 | Very high | 95.7 | Very high | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 176.2 | -71.6 | 173.2 | 0 | 0 | 0 | 112.5 | Q162 L163 R164 W168 D169 I170 | Q162-L166 WeakPolarHBondContact O-CG 3.49Å; Q162-L166 PolarHBondContact O-N 3.39Å; L163-L166 PolarHBondContact O-N 3Å; R164-L166 PolarHBondContact O-N 2.93Å; L166-W168 VanDerWaalsContact C-N 3.33Å; L166-D169 PolarHBondContact O-N 2.98Å; L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.38Å; L166-I170 WeakPolarHBondContact O-CG1 3.41Å; L166-I170 PolarHBondContact O-N 3.5Å |
| 167 | I | 96.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 108.7 Ų | 108.7 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.8 | -67.2 | 164.6 | 0 | 0 | 0 | 110.3 | L163 R164 N165 I170 N171 | L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.36Å; R164-I167 PolarHBondContact O-N 2.93Å; N165-I167 VanDerWaalsContact C-N 3.32Å; N165-I167 PolarHBondContact O-N 3.38Å; I167-I170 PolarHBondContact O-N 3.02Å; I167-N171 WeakPolarHBondContact O-CB 3.44Å; I167-N171 PolarHBondContact O-N 3.03Å; I167-N171 PolarHBondContact O-ND2 3.47Å |
| 168 | W | 95.7 | Very high | 92.9 | Very high | 188 Ų | 188 | 111.9 Ų | 111.9 | 71% | 0.712 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.4 | -46.4 | 174.9 | -89.6 | 100.5 | 0 | 0 | 0 | 112.3 | R164 N165 L166 N171 A172 | R164-W168 VanDerWaalsContact O-CD1 3.25Å; R164-W168 PolarHBondContact O-N 3.4Å; N165-W168 WeakPolarHBondContact O-CA 3.39Å; N165-W168 WeakPolarHBondContact O-CB 3.35Å; N165-W168 PolarHBondContact O-N 3.23Å; N165-W168 VanDerWaalsContact O-N 3.12Å; L166-W168 VanDerWaalsContact C-N 3.33Å; W168-N171 PolarHBondContact O-N 3.47Å; W168-A172 WeakPolarHBondContact O-CB 3.2Å; W168-A172 PolarHBondContact O-N 2.91Å |
| 169 | D | 96 | Very high | 92.7 | Very high | 94 Ų | 94 | 112.1 Ų | 112.1 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.4 | -43.4 | 178.8 | -67.8 | -23.5 | 0 | 0 | 0 | 111.6 | N165 L166 A172 M173 | N165-D169 PolarHBondContact O-N 3.37Å; L166-D169 PolarHBondContact O-N 2.98Å; D169-A172 PolarHBondContact O-N 3.36Å; D169-M173 WeakPolarHBondContact O-CB 3.49Å; D169-M173 WeakPolarHBondContact O-CG 3.5Å; D169-M173 PolarHBondContact O-N 3.21Å |
| 170 | I | 95.9 | Very high | 92.4 | Very high | 85 Ų | 85 | 113.4 Ų | 113.4 | 44% | 0.436 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.6 | -47.2 | 175.6 | -69.5 | 165.3 | 0 | 0 | 0 | 110.5 | L166 I167 A172 M173 L174 | L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.38Å; L166-I170 WeakPolarHBondContact O-CG1 3.41Å; L166-I170 PolarHBondContact O-N 3.5Å; I167-I170 PolarHBondContact O-N 3.02Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 2.89Å; I170-M173 HydrophobicContact CG1-CE 4.23Å; I170-M173 PolarHBondContact O-N 3.43Å; I170-L174 HydrophobicContact CG2-CD1 3.91Å; I170-L174 HydrophobicContact CG2-CG 4.37Å; I170-L174 WeakPolarHBondContact O-CB 3.35Å; I170-L174 WeakPolarHBondContact O-CG 3.34Å; I170-L174 PolarHBondContact O-N 2.94Å |
| 171 | N | 93.8 | Very high | 92.2 | Very high | 90 Ų | 90 | 114.7 Ų | 114.7 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -39.1 | 179.2 | -72 | -16.1 | 0 | 0 | 0 | 111.7 | I167 W168 L174 A175 | I167-N171 WeakPolarHBondContact O-CB 3.44Å; I167-N171 PolarHBondContact O-N 3.03Å; I167-N171 PolarHBondContact O-ND2 3.47Å; W168-N171 PolarHBondContact O-N 3.47Å; N171-L174 PolarHBondContact O-N 2.91Å; N171-A175 WeakPolarHBondContact O-CB 3.46Å; N171-A175 PolarHBondContact O-N 3.31Å |
| 172 | A | 94 | Very high | 91.8 | Very high | 51 Ų | 51 | 117.7 Ų | 117.7 | 42% | 0.421 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.8 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | W168 D169 I170 L174 A175 M176 | W168-A172 WeakPolarHBondContact O-CB 3.2Å; W168-A172 PolarHBondContact O-N 2.91Å; D169-A172 PolarHBondContact O-N 3.36Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 2.89Å; A172-L174 PolarHBondContact O-N 3.38Å; A172-A175 PolarHBondContact O-N 3.27Å; A172-M176 WeakPolarHBondContact O-CG 3.43Å; A172-M176 PolarHBondContact O-N 3.41Å |
| 173 | M | 94.1 | Very high | 91.5 | Very high | 117 Ų | 117 | 117.3 Ų | 117.3 | 58% | 0.576 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.8 | -40.3 | 175.7 | -74 | -173.1 | -68.8 | 0 | 0 | 112.6 | D169 I170 M176 | D169-M173 WeakPolarHBondContact O-CB 3.49Å; D169-M173 WeakPolarHBondContact O-CG 3.5Å; D169-M173 PolarHBondContact O-N 3.21Å; I170-M173 HydrophobicContact CG1-CE 4.23Å; I170-M173 PolarHBondContact O-N 3.43Å; M173-M176 HydrophobicContact CG-CE 4.41Å; M173-M176 PolarHBondContact O-N 2.99Å |
| 174 | L | 92.4 | Very high | 91.1 | Very high | 98 Ų | 98 | 118.6 Ų | 118.6 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.1 | -38.5 | 177 | -72.1 | 173.9 | 0 | 0 | 0 | 112.1 | I170 N171 A172 M176 R177 | I170-L174 HydrophobicContact CG2-CD1 3.91Å; I170-L174 HydrophobicContact CG2-CG 4.37Å; I170-L174 WeakPolarHBondContact O-CB 3.35Å; I170-L174 WeakPolarHBondContact O-CG 3.34Å; I170-L174 PolarHBondContact O-N 2.94Å; N171-L174 PolarHBondContact O-N 2.91Å; A172-L174 PolarHBondContact O-N 3.38Å; L174-M176 VanDerWaalsContact C-N 3.28Å; L174-M176 PolarHBondContact O-N 3.39Å; L174-R177 PolarHBondContact O-N 2.85Å |
| 175 | A | 90.4 | Very high | 90.6 | Very high | 68 Ų | 68 | 118 Ų | 118 | 56% | 0.562 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.6 | -29.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N171 A172 R177 | N171-A175 WeakPolarHBondContact O-CB 3.46Å; N171-A175 PolarHBondContact O-N 3.31Å; A172-A175 PolarHBondContact O-N 3.27Å; A175-R177 VanDerWaalsContact C-N 3.3Å |
| 176 | M | 88.6 | Confident | 90.2 | Very high | 150 Ų | 150 | 119.6 Ų | 119.6 | 74% | 0.739 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -11.1 | 176.2 | -69.5 | -174.6 | -68.9 | 0 | 0 | 114.1 | A172 M173 L174 | A172-M176 WeakPolarHBondContact O-CG 3.43Å; A172-M176 PolarHBondContact O-N 3.41Å; M173-M176 HydrophobicContact CG-CE 4.41Å; M173-M176 PolarHBondContact O-N 2.99Å; L174-M176 VanDerWaalsContact C-N 3.28Å; L174-M176 PolarHBondContact O-N 3.39Å |
| 177 | R | 81.4 | Confident | 89.6 | Confident | 216 Ų | 216 | 121.2 Ų | 121.2 | 82% | 0.815 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -14.9 | -179.3 | -172.5 | 169.9 | 170.9 | -169.7 | -3.5 | 113.3 | L174 A175 | L174-R177 PolarHBondContact O-N 2.85Å; A175-R177 VanDerWaalsContact C-N 3.3Å |
| 178 | N | 56.2 | Low | 89 | Confident | 201 Ų | 201 | 123.5 Ų | 123.5 | 100% | 1.075 | 62% | 0.621 | S | S | * | * | trans | -96.9 | 0 | 175.9 | -66.8 | -10.4 | 0 | 0 | 0 | 110.7 |
Retrieved 178 of 178 residues in 924 ms
(Link to these results)