| 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 | 39.2 | Very low | 47.4 | Very low | 242 Ų | 242 | 165.4 Ų | 165.4 | 100% | 1.192 | 79% | 0.787 | S | S | * | * | 0 | 111.4 | 0 | -67.4 | 159.5 | 179.6 | 0 | 0 | 104.4 | |||||
| 2 | A | 47.7 | Very low | 47.8 | Very low | 80 Ų | 80 | 166.5 Ų | 166.5 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | 118 | 142 | 60.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 3 | E | 49.9 | Very low | 46.9 | Very low | 177 Ų | 177 | 160.3 Ų | 160.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | cis | -146.8 | 150.9 | -4.2 | -95.3 | 134.2 | -153.1 | 0 | 0 | 106.1 | ||||
| 4 | N | 49.2 | Very low | 47.4 | Very low | 152 Ų | 152 | 159.7 Ų | 159.7 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | 58.9 | 96.3 | 67.5 | -90.8 | 3.2 | 0 | 0 | 0 | 116.4 | |||||
| 5 | H | 47.3 | Very low | 47.7 | Very low | 180 Ų | 180 | 157.2 Ų | 157.2 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | 178.4 | 138.1 | 145.7 | -111.8 | -85.7 | 0 | 0 | 0 | 108.3 | ||||
| 6 | L | 57.4 | Low | 47.7 | Very low | 142 Ų | 142 | 156.2 Ų | 156.2 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | cis | 65.3 | 124.7 | 33.9 | -63.5 | 168.3 | 0 | 0 | 0 | 113.4 | ||||
| 7 | E | 53.4 | Low | 47.2 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | cis | -143.9 | -143 | 7 | -139.5 | -176.4 | 134.1 | 0 | 0 | 109.9 | ||||
| 8 | Y | 38.8 | Very low | 46.9 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | cis | -166.3 | 158.1 | 11.5 | -128.1 | -25 | 0 | 0 | 0 | 111.9 | ||||
| 9 | R | 46.6 | Very low | 46.7 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | 61.7 | 103 | 145.7 | -66.7 | 163.5 | -157.1 | -159 | 1 | 123.4 | ||||
| 10 | Y | 44.5 | Very low | 46.7 | Very low | 220 Ų | 220 | 152.1 Ų | 152.1 | 86% | 0.863 | 77% | 0.774 | S | S | * | * | 32.9 | 134.9 | 110.6 | -83.2 | -93 | 0 | 0 | 0 | 123.3 | |||||
| 11 | L | 47.6 | Very low | 46.7 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | 179 | 105 | 123.9 | -92.9 | 166.1 | 0 | 0 | 0 | 108.7 | |||||
| 12 | E | 52.1 | Low | 47.5 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | 73 | 124 | 102.7 | -75.5 | -174.2 | -177.7 | 0 | 0 | 117.3 | |||||
| 13 | G | 36.2 | Very low | 48.4 | Very low | 86 Ų | 86 | 146.5 Ų | 146.5 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | trans | 150.7 | 68.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 14 | E | 54 | Low | 49.3 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 71% | 0.71 | 73% | 0.726 | S | S | * | * | trans | -87.2 | 155.7 | 169.8 | -90.3 | -73.4 | 153.7 | 0 | 0 | 111.6 | M16 | E14-M16 PolarHBondContact OE2-N 2.74Š| ||
| 15 | P | 52.3 | Low | 50 | Low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | -148.5 | 114.1 | 92.2 | 35.8 | -16.2 | 0 | 0 | 0 | 117.1 | |||||
| 16 | M | 46.7 | Very low | 50.5 | Low | 141 Ų | 141 | 139.6 Ų | 139.6 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | 31.9 | 123.6 | 117.3 | -67.5 | -69.7 | -65 | 0 | 0 | 118.4 | E14 | E14-M16 PolarHBondContact OE2-N 2.74Š| |||
| 17 | G | 40.4 | Very low | 51.2 | Low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | 179.1 | 51.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H19 | G17-H19 PolarHBondContact O-N 3.38Š| ||
| 18 | E | 41.1 | Very low | 52.2 | Low | 138 Ų | 138 | 132.9 Ų | 132.9 | 65% | 0.645 | 69% | 0.687 | S | S | * | * | trans | -60.7 | 128.3 | -172.1 | -67.9 | 177.3 | 114.7 | 0 | 0 | 112.7 | F20 | E18-F20 HydrophobicContact CB-CD2 3.99Å; E18-F20 HydrophobicContact CB-CE2 4.4Å; E18-F20 PolarHBondContact O-N 2.84Å | ||
| 19 | H | 43.6 | Very low | 54.1 | Low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.787 | 68% | 0.683 | S | S | * | * | trans | -72.4 | 77.7 | 161.5 | -120 | -86.1 | 0 | 0 | 0 | 108.4 | G17 N21 | G17-H19 PolarHBondContact O-N 3.38Å; H19-N21 PolarHBondContact ND1-OD1 2.89Å; H19-N21 PolarHBondContact O-N 3.13Å | ||
| 20 | F | 45.3 | Very low | 55.7 | Low | 161 Ų | 161 | 128.5 Ų | 128.5 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | trans | -63.8 | 88.2 | 159.5 | -99.4 | -87.2 | 0 | 0 | 0 | 107.5 | E18 E22 | E18-F20 HydrophobicContact CB-CD2 3.99Å; E18-F20 HydrophobicContact CB-CE2 4.4Å; E18-F20 PolarHBondContact O-N 2.84Å; F20-E22 PolarHBondContact O-N 3.34Å; F20-E22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | N | 48.2 | Very low | 57.6 | Low | 113 Ų | 113 | 120.2 Ų | 120.2 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | trans | -63.7 | 111.5 | 161.5 | -61.7 | -40.6 | 0 | 0 | 0 | 105.6 | H19 D23 | H19-N21 PolarHBondContact ND1-OD1 2.89Å; H19-N21 PolarHBondContact O-N 3.13Å; N21-D23 PolarHBondContact O-N 2.92Å | ||
| 22 | E | 56.3 | Low | 59.2 | Low | 148 Ų | 148 | 121.6 Ų | 121.6 | 69% | 0.692 | 65% | 0.652 | S | S | * | * | trans | -62.8 | 101.3 | 173.3 | -61.7 | -179.1 | 129 | 0 | 0 | 107.4 | F20 L27 | F20-E22 PolarHBondContact O-N 3.34Å; F20-E22 VanDerWaalsContact O-N 3.13Å; E22-L27 HydrophobicContact CB-CD1 3.88Å; E22-L27 HydrophobicContact CB-CD2 4.27Å; E22-L27 HydrophobicContact CB-CG 4.04Å | ||
| 23 | D | 66.1 | Low | 60.9 | Low | 97 Ų | 97 | 116.2 Ų | 116.2 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | trans | -54 | 130.7 | -175.8 | -86.7 | -46 | 0 | 0 | 0 | 109.3 | N21 E25 L26 L27 | N21-D23 PolarHBondContact O-N 2.92Å; D23-E25 PolarHBondContact O-N 3.09Å; D23-L26 HydrophobicContact CB-CB 4.35Å; D23-L26 HydrophobicContact CB-CD1 4.13Å; D23-L26 HydrophobicContact CB-CG 4.07Å; D23-L26 WeakPolarHBondContact O-CA 3.47Å; D23-L26 WeakPolarHBondContact O-CB 3.48Å; D23-L26 PolarHBondContact O-N 3.05Å; D23-L27 PolarHBondContact O-N 2.98Å; D23-L27 VanDerWaalsContact O-N 3.09Å | ||
| 24 | P | 69.3 | Low | 63.2 | Low | 98 Ų | 98 | 118 Ų | 118 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.6 | -24.2 | -174.5 | 24.2 | -33.9 | 0 | 0 | 0 | 111.9 | A28 | P24-A28 VanDerWaalsContact O-CB 3.28Å; P24-A28 WeakPolarHBondContact O-CB 3.17Å; P24-A28 PolarHBondContact O-N 2.85Å |
| 25 | E | 62.2 | Low | 64.6 | Low | 153 Ų | 153 | 116.6 Ų | 116.6 | 72% | 0.715 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.4 | -38.7 | 171.6 | -58.9 | -166.3 | 160.4 | 0 | 0 | 112.6 | D23 A28 I29 | D23-E25 PolarHBondContact O-N 3.09Å; E25-A28 PolarHBondContact O-N 2.83Å; E25-I29 WeakPolarHBondContact O-CB 3.37Å; E25-I29 WeakPolarHBondContact O-CD1 3.28Å; E25-I29 WeakPolarHBondContact O-CG1 3.41Å; E25-I29 PolarHBondContact O-N 3.36Å |
| 26 | L | 57.6 | Low | 65.9 | Low | 112 Ų | 112 | 115.4 Ų | 115.4 | 59% | 0.586 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.1 | -38.8 | 175.3 | -68.5 | 177.7 | 0 | 0 | 0 | 111.6 | D23 K30 | D23-L26 HydrophobicContact CB-CB 4.35Å; D23-L26 HydrophobicContact CB-CD1 4.13Å; D23-L26 HydrophobicContact CB-CG 4.07Å; D23-L26 WeakPolarHBondContact O-CA 3.47Å; D23-L26 WeakPolarHBondContact O-CB 3.48Å; D23-L26 PolarHBondContact O-N 3.05Å; L26-K30 VanDerWaalsContact O-CB 3.28Å; L26-K30 WeakPolarHBondContact O-CB 3.39Å; L26-K30 PolarHBondContact O-N 3.42Å |
| 27 | L | 72.5 | Confident | 67.6 | Low | 80 Ų | 80 | 114 Ų | 114 | 42% | 0.419 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.5 | -42.5 | 172.4 | -69.5 | 175.4 | 0 | 0 | 0 | 111.6 | E22 D23 K30 A31 | E22-L27 HydrophobicContact CB-CD1 3.88Å; E22-L27 HydrophobicContact CB-CD2 4.27Å; E22-L27 HydrophobicContact CB-CG 4.04Å; D23-L27 PolarHBondContact O-N 2.98Å; D23-L27 VanDerWaalsContact O-N 3.09Å; L27-K30 PolarHBondContact O-N 3.03Å; L27-A31 WeakPolarHBondContact O-CB 3.35Å; L27-A31 PolarHBondContact O-N 3.18Å |
| 28 | A | 75.8 | Confident | 69.4 | Low | 60 Ų | 60 | 116 Ų | 116 | 50% | 0.496 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.2 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | P24 E25 R32 | P24-A28 VanDerWaalsContact O-CB 3.28Å; P24-A28 WeakPolarHBondContact O-CB 3.17Å; P24-A28 PolarHBondContact O-N 2.85Å; E25-A28 PolarHBondContact O-N 2.83Å; A28-R32 WeakPolarHBondContact O-CB 3.28Å; A28-R32 PolarHBondContact O-N 2.92Å |
| 29 | I | 77.4 | Confident | 71.1 | Confident | 102 Ų | 102 | 114.9 Ų | 114.9 | 52% | 0.523 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.2 | -46.1 | 174.5 | -71.1 | 162.8 | 0 | 0 | 0 | 110.1 | E25 R32 V33 | E25-I29 WeakPolarHBondContact O-CB 3.37Å; E25-I29 WeakPolarHBondContact O-CD1 3.28Å; E25-I29 WeakPolarHBondContact O-CG1 3.41Å; E25-I29 PolarHBondContact O-N 3.36Å; I29-R32 PolarHBondContact O-N 2.92Å; I29-V33 HydrophobicContact CG2-CG2 4.5Å; I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 3.45Å |
| 30 | K | 81.2 | Confident | 72.8 | Confident | 145 Ų | 145 | 112 Ų | 112 | 63% | 0.63 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.4 | -44.3 | 178.7 | -173.6 | -177.8 | 177.6 | -175.6 | 0 | 112.2 | L26 L27 V33 Q34 | L26-K30 VanDerWaalsContact O-CB 3.28Å; L26-K30 WeakPolarHBondContact O-CB 3.39Å; L26-K30 PolarHBondContact O-N 3.42Å; L27-K30 PolarHBondContact O-N 3.03Å; K30-V33 PolarHBondContact O-N 2.98Å; K30-Q34 WeakPolarHBondContact O-CB 3.37Å; K30-Q34 PolarHBondContact O-N 2.87Å |
| 31 | A | 84 | Confident | 74.2 | Confident | 47 Ų | 47 | 110.3 Ų | 110.3 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.7 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L27 V33 Q34 E35 | L27-A31 WeakPolarHBondContact O-CB 3.35Å; L27-A31 PolarHBondContact O-N 3.18Å; A31-V33 PolarHBondContact O-N 3.29Å; A31-Q34 PolarHBondContact O-N 3.02Å; A31-E35 WeakPolarHBondContact O-CG 3.44Å; A31-E35 PolarHBondContact O-N 3.38Å |
| 32 | R | 81.4 | Confident | 74.8 | Confident | 176 Ų | 176 | 108.4 Ų | 108.4 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.7 | -31.9 | 179.5 | -170.5 | 178.6 | -179.3 | 110.9 | 7 | 113.8 | A28 I29 L36 | A28-R32 WeakPolarHBondContact O-CB 3.28Å; A28-R32 PolarHBondContact O-N 2.92Å; I29-R32 PolarHBondContact O-N 2.92Å; R32-L36 WeakPolarHBondContact O-CG 3.37Å; R32-L36 PolarHBondContact O-N 2.91Å |
| 33 | V | 87.8 | Confident | 76.1 | Confident | 67 Ų | 67 | 108 Ų | 108 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 170.5 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | I29 K30 A31 E35 L36 E37 | I29-V33 HydrophobicContact CG2-CG2 4.5Å; I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 3.45Å; K30-V33 PolarHBondContact O-N 2.98Å; A31-V33 PolarHBondContact O-N 3.29Å; V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 2.86Å; V33-L36 PolarHBondContact O-N 3.26Å; V33-E37 HydrophobicContact CG1-CG 4.25Å; V33-E37 WeakPolarHBondContact O-CG 3.39Å; V33-E37 PolarHBondContact O-N 2.63Å |
| 34 | Q | 84.6 | Confident | 77 | Confident | 124 Ų | 124 | 108 Ų | 108 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.2 | -33.6 | 178.8 | -171.4 | 174.6 | 2.3 | 0 | 0 | 113.1 | K30 A31 M38 | K30-Q34 WeakPolarHBondContact O-CB 3.37Å; K30-Q34 PolarHBondContact O-N 2.87Å; A31-Q34 PolarHBondContact O-N 3.02Å; Q34-M38 WeakPolarHBondContact O-CB 3.35Å; Q34-M38 PolarHBondContact O-N 3.19Å |
| 35 | E | 83.2 | Confident | 77.3 | Confident | 121 Ų | 121 | 109 Ų | 109 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.1 | -49.5 | 170.8 | -75.2 | 170.9 | 162.1 | 0 | 0 | 111 | A31 V33 M38 E39 | A31-E35 WeakPolarHBondContact O-CG 3.44Å; A31-E35 PolarHBondContact O-N 3.38Å; V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 2.86Å; E35-M38 PolarHBondContact O-N 2.98Å; E35-E39 WeakPolarHBondContact O-CG 3.41Å; E35-E39 PolarHBondContact O-N 3.41Å |
| 36 | L | 78.5 | Confident | 78.3 | Confident | 98 Ų | 98 | 107.2 Ų | 107.2 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 178.1 | -70.5 | 167.9 | 0 | 0 | 0 | 112.8 | R32 V33 E39 E40 | R32-L36 WeakPolarHBondContact O-CG 3.37Å; R32-L36 PolarHBondContact O-N 2.91Å; V33-L36 PolarHBondContact O-N 3.26Å; L36-E39 PolarHBondContact O-N 2.89Å; L36-E40 WeakPolarHBondContact O-CB 3.46Å; L36-E40 PolarHBondContact O-N 3.37Å |
| 37 | E | 83.6 | Confident | 79.6 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 174.8 | -73.7 | 171.5 | 163.3 | 0 | 0 | 111.1 | V33 E40 E41 | V33-E37 HydrophobicContact CG1-CG 4.25Å; V33-E37 WeakPolarHBondContact O-CG 3.39Å; V33-E37 PolarHBondContact O-N 2.63Å; E37-E40 PolarHBondContact O-N 3.45Å; E37-E41 WeakPolarHBondContact O-CG 3.42Å; E37-E41 PolarHBondContact O-N 3.31Å |
| 38 | M | 77.8 | Confident | 79.6 | Confident | 116 Ų | 116 | 109.3 Ų | 109.3 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.1 | -37.3 | 177.9 | -160.9 | -163.1 | 76.9 | 0 | 0 | 112.3 | Q34 E35 E41 T42 | Q34-M38 WeakPolarHBondContact O-CB 3.35Å; Q34-M38 PolarHBondContact O-N 3.19Å; E35-M38 PolarHBondContact O-N 2.98Å; M38-E41 PolarHBondContact O-N 3.44Å; M38-T42 WeakPolarHBondContact O-CG2 3.23Å; M38-T42 PolarHBondContact O-N 3.2Å; M38-T42 PolarHBondContact O-OG1 3.35Å |
| 39 | E | 77.6 | Confident | 79.4 | Confident | 113 Ų | 113 | 112.7 Ų | 112.7 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 171.7 | -75.8 | 179 | 165.2 | 0 | 0 | 110.4 | E35 L36 E41 T42 E43 | E35-E39 WeakPolarHBondContact O-CG 3.41Å; E35-E39 PolarHBondContact O-N 3.41Å; L36-E39 PolarHBondContact O-N 2.89Å; E39-E41 VanDerWaalsContact C-N 3.32Å; E39-E41 PolarHBondContact O-N 3.37Å; E39-T42 PolarHBondContact O-N 3.08Å; E39-T42 VanDerWaalsContact O-N 3.08Å; E39-T42 PolarHBondContact O-OG1 3.04Å; E39-E43 PolarHBondContact O-N 2.92Å |
| 40 | E | 79 | Confident | 79.4 | Confident | 110 Ų | 110 | 113.1 Ų | 113.1 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.5 | -33.7 | 177.8 | -158.6 | -169.1 | 138.8 | 0 | 0 | 112.8 | L36 E37 K44 | L36-E40 WeakPolarHBondContact O-CB 3.46Å; L36-E40 PolarHBondContact O-N 3.37Å; E37-E40 PolarHBondContact O-N 3.45Å; E40-K44 VanDerWaalsContact CD-NZ 3.31Å; E40-K44 WeakPolarHBondContact O-CD 3.24Å; E40-K44 VanDerWaalsContact O-CG 3.24Å; E40-K44 WeakPolarHBondContact O-CG 3.38Å; E40-K44 PolarHBondContact O-N 2.8Å; E40-K44 VanDerWaalsContact OE1-CE 3.23Å; E40-K44 WeakPolarHBondContact OE1-CE 3.39Å; E40-K44 IonicContact OE1-NZ 2.66Å; E40-K44 PolarHBondContact OE1-NZ 2.93Å |
| 41 | E | 74.9 | Confident | 79.3 | Confident | 126 Ų | 126 | 112.1 Ų | 112.1 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.2 | -41.3 | 171 | -76.3 | -171.3 | 160.9 | 0 | 0 | 112.5 | E37 M38 E39 K44 L45 | E37-E41 WeakPolarHBondContact O-CG 3.42Å; E37-E41 PolarHBondContact O-N 3.31Å; M38-E41 PolarHBondContact O-N 3.44Å; E39-E41 VanDerWaalsContact C-N 3.32Å; E39-E41 PolarHBondContact O-N 3.37Å; E41-K44 PolarHBondContact O-N 3.07Å; E41-L45 WeakPolarHBondContact O-CG 3.45Å; E41-L45 PolarHBondContact O-N 3.46Å |
| 42 | T | 60.8 | Low | 78.4 | Confident | 73 Ų | 73 | 113.6 Ų | 113.6 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69 | -36.1 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | M38 E39 K46 | M38-T42 WeakPolarHBondContact O-CG2 3.23Å; M38-T42 PolarHBondContact O-N 3.2Å; M38-T42 PolarHBondContact O-OG1 3.35Å; E39-T42 PolarHBondContact O-N 3.08Å; E39-T42 VanDerWaalsContact O-N 3.08Å; E39-T42 PolarHBondContact O-OG1 3.04Å; T42-K46 VanDerWaalsContact O-CB 3.3Å; T42-K46 WeakPolarHBondContact O-CB 3.33Å; T42-K46 PolarHBondContact O-N 2.96Å; T42-K46 VanDerWaalsContact O-N 3.07Å |
| 43 | E | 82.4 | Confident | 77.8 | Confident | 139 Ų | 139 | 109.8 Ų | 109.8 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.7 | -43.5 | 174.3 | -70.3 | -161.9 | 142 | 0 | 0 | 111.2 | E39 K46 E47 | E39-E43 PolarHBondContact O-N 2.92Å; E43-K46 PolarHBondContact O-N 3.15Å; E43-E47 PolarHBondContact O-N 2.84Å |
| 44 | K | 84.6 | Confident | 77 | Confident | 98 Ų | 98 | 109.2 Ų | 109.2 | 43% | 0.426 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.3 | -50.2 | 174.7 | -73.7 | 164.1 | -170.3 | 154.3 | 0 | 112.4 | E40 E41 K46 E47 E48 | E40-K44 VanDerWaalsContact CD-NZ 3.31Å; E40-K44 WeakPolarHBondContact O-CD 3.24Å; E40-K44 VanDerWaalsContact O-CG 3.24Å; E40-K44 WeakPolarHBondContact O-CG 3.38Å; E40-K44 PolarHBondContact O-N 2.8Å; E40-K44 VanDerWaalsContact OE1-CE 3.23Å; E40-K44 WeakPolarHBondContact OE1-CE 3.39Å; E40-K44 IonicContact OE1-NZ 2.66Å; E40-K44 PolarHBondContact OE1-NZ 2.93Å; E41-K44 PolarHBondContact O-N 3.07Å; K44-K46 PolarHBondContact O-N 2.69Å; K44-E47 PolarHBondContact O-N 3.28Å; K44-E47 VanDerWaalsContact O-N 3.15Å; K44-E48 VanDerWaalsContact O-CG 3.27Å; K44-E48 WeakPolarHBondContact O-CG 3.5Å; K44-E48 PolarHBondContact O-N 2.93Å |
| 45 | L | 75.9 | Confident | 76.2 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.3 | -38.3 | 178.8 | -73.4 | 170.2 | 0 | 0 | 0 | 111.6 | E41 E48 E49 | E41-L45 WeakPolarHBondContact O-CG 3.45Å; E41-L45 PolarHBondContact O-N 3.46Å; L45-E48 PolarHBondContact O-N 3.37Å; L45-E49 WeakPolarHBondContact O-CB 3.3Å; L45-E49 PolarHBondContact O-N 2.9Å |
| 46 | K | 84.7 | Confident | 75.5 | Confident | 117 Ų | 117 | 109.1 Ų | 109.1 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.6 | -36 | 176.7 | -173.2 | 173.9 | 172.3 | -66.5 | 0 | 113.1 | T42 E43 K44 E48 E50 | T42-K46 VanDerWaalsContact O-CB 3.3Å; T42-K46 WeakPolarHBondContact O-CB 3.33Å; T42-K46 PolarHBondContact O-N 2.96Å; T42-K46 VanDerWaalsContact O-N 3.07Å; E43-K46 PolarHBondContact O-N 3.15Å; K44-K46 PolarHBondContact O-N 2.69Å; K46-E48 VanDerWaalsContact C-N 3.34Å; K46-E50 WeakPolarHBondContact CE-OE1 3.27Å; K46-E50 IonicContact NZ-OE1 2.63Å; K46-E50 PolarHBondContact NZ-OE1 3.29Å; K46-E50 WeakPolarHBondContact O-CB 3.48Å; K46-E50 WeakPolarHBondContact O-CG 3.41Å; K46-E50 PolarHBondContact O-N 3.29Å |
| 47 | E | 83.2 | Confident | 74.6 | Confident | 139 Ų | 139 | 110.7 Ų | 110.7 | 65% | 0.65 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -35.1 | 170 | -75 | -165.5 | 157.6 | 0 | 0 | 112.1 | E43 K44 R51 | E43-E47 PolarHBondContact O-N 2.84Å; K44-E47 PolarHBondContact O-N 3.28Å; K44-E47 VanDerWaalsContact O-N 3.15Å; E47-R51 WeakPolarHBondContact O-CB 3.37Å; E47-R51 PolarHBondContact O-N 2.86Å |
| 48 | E | 72.5 | Confident | 73.7 | Confident | 97 Ų | 97 | 112.5 Ų | 112.5 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 175.2 | -57.8 | -140 | 112.5 | 0 | 0 | 111.9 | K44 L45 K46 R51 C52 | K44-E48 VanDerWaalsContact O-CG 3.27Å; K44-E48 WeakPolarHBondContact O-CG 3.5Å; K44-E48 PolarHBondContact O-N 2.93Å; L45-E48 PolarHBondContact O-N 3.37Å; K46-E48 VanDerWaalsContact C-N 3.34Å; E48-R51 PolarHBondContact O-N 3.25Å; E48-R51 IonicContact OE1-CZ 3.67Å; E48-R51 IonicContact OE1-NH1 3.87Å; E48-R51 PolarHBondContact OE1-NH1 2.96Å; E48-R51 IonicContact OE1-NH2 2.88Å; E48-R51 PolarHBondContact OE1-NH2 3.37Å; E48-C52 PolarHBondContact O-N 2.56Å; E48-C52 PolarHBondContact O-SG 3.39Å; E48-C52 VanDerWaalsContact O-SG 3.39Å |
| 49 | E | 71.8 | Confident | 72.7 | Confident | 131 Ų | 131 | 113.2 Ų | 113.2 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.9 | -49.3 | 173.5 | -168.7 | 169.8 | -149.3 | 0 | 0 | 111.1 | L45 R51 C52 D53 | L45-E49 WeakPolarHBondContact O-CB 3.3Å; L45-E49 PolarHBondContact O-N 2.9Å; E49-R51 VanDerWaalsContact C-N 3.26Å; E49-R51 PolarHBondContact O-N 2.88Å; E49-C52 PolarHBondContact O-N 3.44Å; E49-D53 WeakPolarHBondContact O-CB 3.17Å; E49-D53 PolarHBondContact O-N 2.98Å |
| 50 | E | 78.1 | Confident | 71.8 | Confident | 110 Ų | 110 | 112.6 Ų | 112.6 | 51% | 0.514 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.4 | -30.6 | 175.3 | -76 | -175.9 | -162.8 | 0 | 0 | 112.9 | K46 A54 | K46-E50 WeakPolarHBondContact CE-OE1 3.27Å; K46-E50 IonicContact NZ-OE1 2.63Å; K46-E50 PolarHBondContact NZ-OE1 3.29Å; K46-E50 WeakPolarHBondContact O-CB 3.48Å; K46-E50 WeakPolarHBondContact O-CG 3.41Å; K46-E50 PolarHBondContact O-N 3.29Å; E50-A54 WeakPolarHBondContact O-CB 3.19Å; E50-A54 PolarHBondContact O-N 2.92Å |
| 51 | R | 78.2 | Confident | 70.5 | Confident | 125 Ų | 125 | 113 Ų | 113 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.5 | -42.4 | 174.1 | -172 | 177.4 | 71.2 | -131.7 | 0.3 | 111.8 | E47 E48 E49 A54 E55 | E47-R51 WeakPolarHBondContact O-CB 3.37Å; E47-R51 PolarHBondContact O-N 2.86Å; E48-R51 PolarHBondContact O-N 3.25Å; E48-R51 IonicContact OE1-CZ 3.67Å; E48-R51 IonicContact OE1-NH1 3.87Å; E48-R51 PolarHBondContact OE1-NH1 2.96Å; E48-R51 IonicContact OE1-NH2 2.88Å; E48-R51 PolarHBondContact OE1-NH2 3.37Å; E49-R51 VanDerWaalsContact C-N 3.26Å; E49-R51 PolarHBondContact O-N 2.88Å; R51-A54 PolarHBondContact O-N 2.87Å; R51-E55 WeakPolarHBondContact O-CG 3.49Å; R51-E55 PolarHBondContact O-N 3.26Å |
| 52 | C | 66.1 | Low | 69.5 | Low | 78 Ų | 78 | 111 Ų | 111 | 53% | 0.527 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -45.3 | 173.3 | -73.4 | 0 | 0 | 0 | 0 | 111.8 | E48 E49 A54 E55 E56 | E48-C52 PolarHBondContact O-N 2.56Å; E48-C52 PolarHBondContact O-SG 3.39Å; E48-C52 VanDerWaalsContact O-SG 3.39Å; E49-C52 PolarHBondContact O-N 3.44Å; C52-A54 VanDerWaalsContact C-N 3.32Å; C52-A54 PolarHBondContact O-N 3.18Å; C52-E55 PolarHBondContact O-N 3Å; C52-E56 PolarHBondContact O-N 3.4Å |
| 53 | D | 68 | Low | 68.9 | Low | 96 Ų | 96 | 112 Ų | 112 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.7 | -38.5 | 175 | -92.7 | 9.4 | 0 | 0 | 0 | 111.9 | E49 M57 | E49-D53 WeakPolarHBondContact O-CB 3.17Å; E49-D53 PolarHBondContact O-N 2.98Å; D53-M57 WeakPolarHBondContact O-CB 3.21Å; D53-M57 PolarHBondContact O-N 3.35Å |
| 54 | A | 70.6 | Confident | 67.4 | Low | 54 Ų | 54 | 111.2 Ų | 111.2 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.2 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E50 R51 C52 Q58 | E50-A54 WeakPolarHBondContact O-CB 3.19Å; E50-A54 PolarHBondContact O-N 2.92Å; R51-A54 PolarHBondContact O-N 2.87Å; C52-A54 VanDerWaalsContact C-N 3.32Å; C52-A54 PolarHBondContact O-N 3.18Å; A54-Q58 WeakPolarHBondContact O-CB 3.18Å; A54-Q58 PolarHBondContact O-N 2.94Å |
| 55 | E | 69.3 | Low | 65.5 | Low | 125 Ų | 125 | 117.2 Ų | 117.2 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.1 | -45 | 173.5 | -74.5 | -177.3 | -172.6 | 0 | 0 | 111.4 | R51 C52 Q58 L59 | R51-E55 WeakPolarHBondContact O-CG 3.49Å; R51-E55 PolarHBondContact O-N 3.26Å; C52-E55 PolarHBondContact O-N 3Å; E55-Q58 PolarHBondContact O-N 2.93Å; E55-L59 WeakPolarHBondContact O-CG 3.33Å; E55-L59 PolarHBondContact O-N 3.31Å |
| 56 | E | 67.3 | Low | 64 | Low | 118 Ų | 118 | 115.9 Ų | 115.9 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.5 | -47.1 | 174.1 | 176.5 | 162.2 | 165.9 | 0 | 0 | 111.4 | C52 Q58 L59 L60 | C52-E56 PolarHBondContact O-N 3.4Å; E56-Q58 VanDerWaalsContact C-N 3.28Å; E56-Q58 PolarHBondContact O-N 2.83Å; E56-L59 WeakPolarHBondContact O-CB 3.43Å; E56-L59 PolarHBondContact O-N 3.12Å; E56-L59 VanDerWaalsContact O-N 3.12Å; E56-L60 HydrophobicContact CG-CD1 3.65Å; E56-L60 WeakPolarHBondContact O-CD1 3.19Å; E56-L60 PolarHBondContact O-N 2.86Å |
| 57 | M | 60.7 | Low | 62.2 | Low | 132 Ų | 132 | 112.5 Ų | 112.5 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.7 | -32.2 | 179.9 | -160.5 | 179.8 | -51.9 | 0 | 0 | 112.3 | D53 L60 T61 | D53-M57 WeakPolarHBondContact O-CB 3.21Å; D53-M57 PolarHBondContact O-N 3.35Å; M57-L60 PolarHBondContact O-N 3.38Å; M57-T61 PolarHBondContact O-N 3.12Å; M57-T61 VanDerWaalsContact O-N 3.12Å |
| 58 | Q | 63.8 | Low | 60.6 | Low | 149 Ų | 149 | 111.6 Ų | 111.6 | 70% | 0.696 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.8 | -31.7 | 173.7 | -164.8 | 169.3 | 121.3 | 0 | 0 | 112.4 | A54 E55 E56 | A54-Q58 WeakPolarHBondContact O-CB 3.18Å; A54-Q58 PolarHBondContact O-N 2.94Å; E55-Q58 PolarHBondContact O-N 2.93Å; E56-Q58 VanDerWaalsContact C-N 3.28Å; E56-Q58 PolarHBondContact O-N 2.83Å |
| 59 | L | 57.9 | Low | 59.5 | Low | 131 Ų | 131 | 113.6 Ų | 113.6 | 69% | 0.686 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.9 | -43.1 | 168.3 | -69.8 | 166.8 | 0 | 0 | 0 | 111.2 | E55 E56 T61 S62 | E55-L59 WeakPolarHBondContact O-CG 3.33Å; E55-L59 PolarHBondContact O-N 3.31Å; E56-L59 WeakPolarHBondContact O-CB 3.43Å; E56-L59 PolarHBondContact O-N 3.12Å; E56-L59 VanDerWaalsContact O-N 3.12Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.41Å; L59-S62 PolarHBondContact O-OG 3.38Å; L59-S62 VanDerWaalsContact O-OG 3.09Å |
| 60 | L | 57.4 | Low | 58.4 | Low | 99 Ų | 99 | 113.2 Ų | 113.2 | 52% | 0.518 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65 | -29.5 | 179.8 | -97 | 76.2 | 0 | 0 | 0 | 114.5 | E56 M57 | E56-L60 HydrophobicContact CG-CD1 3.65Å; E56-L60 WeakPolarHBondContact O-CD1 3.19Å; E56-L60 PolarHBondContact O-N 2.86Å; M57-L60 PolarHBondContact O-N 3.38Å |
| 61 | T | 52.7 | Low | 57.6 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 72% | 0.724 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -83 | -15 | -174.9 | -157.8 | 0 | 0 | 0 | 0 | 114 | M57 L59 | M57-T61 PolarHBondContact O-N 3.12Å; M57-T61 VanDerWaalsContact O-N 3.12Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.41Å |
| 62 | S | 53.2 | Low | 57.2 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -89.4 | -10.1 | -163.7 | 68.4 | 0 | 0 | 0 | 0 | 116.7 | L59 | L59-S62 PolarHBondContact O-OG 3.38Å; L59-S62 VanDerWaalsContact O-OG 3.09Å |
| 63 | S | 48.3 | Very low | 57.9 | Low | 94 Ų | 94 | 111.9 Ų | 111.9 | 66% | 0.657 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -160.9 | 153.5 | 172.6 | -90.4 | 0 | 0 | 0 | 0 | 116 | R65 | S63-R65 PolarHBondContact O-N 3.14Š|
| 64 | P | 50.3 | Low | 58.5 | Low | 122 Ų | 122 | 111.9 Ų | 111.9 | 79% | 0.792 | 62% | 0.619 | S | S | * | * | trans | -63.9 | 127.3 | 178.9 | -21.3 | 33.6 | 0 | 0 | 0 | 113.4 | P66 | P64-P66 WeakPolarHBondContact O-CD 3.45Š| ||
| 65 | R | 46.4 | Very low | 59.1 | Low | 224 Ų | 224 | 116.8 Ų | 116.8 | 85% | 0.845 | 63% | 0.633 | S | S | * | * | trans | -52.3 | 123.6 | -175.4 | -67.1 | -179.9 | 173.1 | -167.5 | -4.5 | 114.3 | S63 | S63-R65 PolarHBondContact O-N 3.14Š| ||
| 66 | P | 44.6 | Very low | 59.8 | Low | 89 Ų | 89 | 115.4 Ų | 115.4 | 58% | 0.578 | 63% | 0.627 | S | S | * | * | trans | -104.8 | 29.8 | 163.2 | 26.2 | -8.2 | 0 | 0 | 0 | 112.7 | P64 Y70 | P64-P66 WeakPolarHBondContact O-CD 3.45Å; P66-Y70 HydrophobicContact CB-CD2 4.43Å | ||
| 67 | G | 45.7 | Very low | 60.6 | Low | 46 Ų | 46 | 115.1 Ų | 115.1 | 47% | 0.474 | 62% | 0.62 | S | S | . | * | trans | 75.4 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F69 | G67-F69 PolarHBondContact O-N 3.16Š| ||
| 68 | P | 49.2 | Very low | 61.8 | Low | 121 Ų | 121 | 112.1 Ų | 112.1 | 79% | 0.786 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 16 | -172.4 | 32.6 | -37.4 | 0 | 0 | 0 | 114.6 | ||
| 69 | F | 50.6 | Low | 63 | Low | 138 Ų | 138 | 107 Ų | 107 | 61% | 0.605 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | 3 | -170.2 | -78.3 | -78.3 | 0 | 0 | 0 | 114.8 | G67 | G67-F69 PolarHBondContact O-N 3.16Š|
| 70 | Y | 49.2 | Very low | 64.5 | Low | 124 Ų | 124 | 101.5 Ų | 101.5 | 49% | 0.486 | 56% | 0.558 | S | S | . | * | trans | -141.2 | 36.8 | -170.1 | -68.4 | -75.3 | 0 | 0 | 0 | 114 | P66 R77 | P66-Y70 HydrophobicContact CB-CD2 4.43Å; Y70-R77 PolarHBondContact O-NH2 3.17Å | ||
| 71 | S | 59.8 | Low | 66 | Low | 110 Ų | 110 | 98.1 Ų | 98.1 | 77% | 0.769 | 54% | 0.54 | S | S | * | . | trans | -74.4 | -20.2 | 171.5 | 45.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 72 | M | 69.8 | Low | 67.9 | Low | 107 Ų | 107 | 96.1 Ų | 96.1 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -53.9 | 141.1 | -180 | -60.8 | -58.1 | -176.4 | 0 | 0 | 112.9 | E76 R77 | M72-E76 HydrophobicContact CB-CB 4.21Å; M72-R77 HydrophobicContact CB-CG 4.11Å; M72-R77 PolarHBondContact O-NE 3.14Å; M72-R77 PolarHBondContact O-NH2 3.48Å |
| 73 | T | 82.1 | Confident | 69.8 | Low | 67 Ų | 67 | 95 Ų | 95 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | trans | -62.6 | 164.1 | 174.4 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | E75 E76 R77 | T73-E75 PolarHBondContact O-N 2.87Å; T73-E76 VanDerWaalsContact CB-OE2 3.26Å; T73-E76 WeakPolarHBondContact CB-OE2 3.28Å; T73-E76 VanDerWaalsContact CG2-OE2 3.3Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.3Å; T73-E76 PolarHBondContact N-OE2 2.72Å; T73-E76 VanDerWaalsContact OG1-CD 3.26Å; T73-E76 VanDerWaalsContact OG1-CG 3.28Å; T73-E76 WeakPolarHBondContact OG1-CG 3.34Å; T73-E76 PolarHBondContact OG1-N 2.97Å; T73-E76 PolarHBondContact OG1-OE2 2.78Å; T73-R77 VanDerWaalsContact O-CG 3.27Å; T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 2.79Å; T73-R77 VanDerWaalsContact O-N 3.15Å | ||
| 74 | P | 80.8 | Confident | 72 | Confident | 96 Ų | 96 | 90.6 Ų | 90.6 | 62% | 0.623 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.6 | -31.8 | 174.9 | -24.9 | 35.7 | 0 | 0 | 0 | 113.7 | I78 | P74-I78 WeakPolarHBondContact O-CD1 3.27Å; P74-I78 WeakPolarHBondContact O-CG1 3.06Å; P74-I78 PolarHBondContact O-N 3.33Å |
| 75 | E | 81.6 | Confident | 74.1 | Confident | 158 Ų | 158 | 84.8 Ų | 84.8 | 74% | 0.738 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -76.9 | -45.2 | -176.2 | -62.1 | -179.3 | -177.6 | 0 | 0 | 111.3 | T73 R77 I78 D79 | T73-E75 PolarHBondContact O-N 2.87Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 3.18Å; E75-I78 WeakPolarHBondContact O-CB 3.25Å; E75-I78 PolarHBondContact O-N 2.79Å; E75-I78 VanDerWaalsContact O-N 3.11Å; E75-D79 PolarHBondContact O-N 3.25Å |
| 76 | E | 84.5 | Confident | 76.5 | Confident | 95 Ų | 95 | 76.8 Ų | 76.8 | 44% | 0.444 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 172.6 | -69.3 | 161.7 | 135.2 | 0 | 0 | 111.9 | M72 T73 I78 D79 A80 | M72-E76 HydrophobicContact CB-CB 4.21Å; T73-E76 VanDerWaalsContact CB-OE2 3.26Å; T73-E76 WeakPolarHBondContact CB-OE2 3.28Å; T73-E76 VanDerWaalsContact CG2-OE2 3.3Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.3Å; T73-E76 PolarHBondContact N-OE2 2.72Å; T73-E76 VanDerWaalsContact OG1-CD 3.26Å; T73-E76 VanDerWaalsContact OG1-CG 3.28Å; T73-E76 WeakPolarHBondContact OG1-CG 3.34Å; T73-E76 PolarHBondContact OG1-N 2.97Å; T73-E76 PolarHBondContact OG1-OE2 2.78Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 3.18Å; E76-D79 PolarHBondContact O-N 3.35Å; E76-A80 VanDerWaalsContact O-CB 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 2.79Å |
| 77 | R | 84.1 | Confident | 78.9 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 174.1 | -69.2 | 172.4 | -156 | -150 | 1.3 | 112.2 | Y70 M72 T73 E75 D81 | Y70-R77 PolarHBondContact O-NH2 3.17Å; M72-R77 HydrophobicContact CB-CG 4.11Å; M72-R77 PolarHBondContact O-NE 3.14Å; M72-R77 PolarHBondContact O-NH2 3.48Å; T73-R77 VanDerWaalsContact O-CG 3.27Å; T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 2.79Å; T73-R77 VanDerWaalsContact O-N 3.15Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 3.18Å; R77-D81 VanDerWaalsContact O-CB 3.26Å; R77-D81 WeakPolarHBondContact O-CB 3.26Å; R77-D81 PolarHBondContact O-N 2.77Å |
| 78 | I | 85.9 | Confident | 81.3 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 36% | 0.359 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 176.5 | -73.1 | 164.3 | 0 | 0 | 0 | 110.3 | P74 E75 E76 D81 N82 T160 | P74-I78 WeakPolarHBondContact O-CD1 3.27Å; P74-I78 WeakPolarHBondContact O-CG1 3.06Å; P74-I78 PolarHBondContact O-N 3.33Å; E75-I78 WeakPolarHBondContact O-CB 3.25Å; E75-I78 PolarHBondContact O-N 2.79Å; E75-I78 VanDerWaalsContact O-N 3.11Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 3.18Å; I78-D81 PolarHBondContact O-N 2.77Å; I78-N82 PolarHBondContact O-N 2.65Å; I78-N82 PolarHBondContact O-ND2 2.74Å; I78-T160 HydrophobicContact CG2-CG2 4.26Å |
| 79 | D | 88.6 | Confident | 83.5 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 21% | 0.214 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 176.6 | -177.5 | 65.5 | 0 | 0 | 0 | 113.2 | E75 E76 D81 N82 R83 R134 | E75-D79 PolarHBondContact O-N 3.25Å; E76-D79 PolarHBondContact O-N 3.35Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 3.45Å; D79-N82 CarbonylContact O-C 3.59Å; D79-N82 WeakPolarHBondContact O-CA 3.46Å; D79-N82 WeakPolarHBondContact O-CB 3.42Å; D79-N82 PolarHBondContact O-N 2.92Å; D79-N82 VanDerWaalsContact O-N 3.08Å; D79-R83 PolarHBondContact O-N 3.09Å; D79-R83 IonicContact OD2-CZ 3.44Å; D79-R83 IonicContact OD2-NE 3.28Å; D79-R83 PolarHBondContact OD2-NE 3.15Å; D79-R83 IonicContact OD2-NH2 2.69Å; D79-R83 PolarHBondContact OD2-NH2 2.94Å; D79-R134 IonicContact OD1-CZ 2.56Å; D79-R134 VanDerWaalsContact OD1-CZ 3.29Å; D79-R134 IonicContact OD1-NE 3.16Å; D79-R134 PolarHBondContact OD1-NE 3.08Å; D79-R134 VanDerWaalsContact OD1-NE 3.11Å; D79-R134 IonicContact OD1-NH2 2.72Å; D79-R134 PolarHBondContact OD1-NH2 2.91Å |
| 80 | A | 89.3 | Confident | 85.5 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -38.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E76 R83 S84 E130 | E76-A80 VanDerWaalsContact O-CB 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 2.79Å; A80-R83 CarbonylContact O-C 3.5Å; A80-R83 PolarHBondContact O-N 2.99Å; A80-S84 WeakPolarHBondContact O-CB 3.43Å; A80-S84 PolarHBondContact O-N 3.21Å; A80-S84 VanDerWaalsContact O-N 3.1Å; A80-S84 PolarHBondContact O-OG 2.66Å; A80-E130 HydrophobicContact CB-CG 4.44Å |
| 81 | D | 89.7 | Confident | 87.7 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 171.3 | -87.2 | 5.8 | 0 | 0 | 0 | 112 | R77 I78 D79 R83 S84 K158 T160 | R77-D81 VanDerWaalsContact O-CB 3.26Å; R77-D81 WeakPolarHBondContact O-CB 3.26Å; R77-D81 PolarHBondContact O-N 2.77Å; I78-D81 PolarHBondContact O-N 2.77Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 3.45Å; D81-R83 VanDerWaalsContact C-N 3.3Å; D81-R83 PolarHBondContact O-N 3.4Å; D81-S84 WeakPolarHBondContact O-CB 3.33Å; D81-S84 PolarHBondContact O-N 3.32Å; D81-K158 HydrophobicContact CB-CD 4.43Å; D81-K158 WeakPolarHBondContact OD1-CE 3.34Å; D81-K158 IonicContact OD1-NZ 2.81Å; D81-K158 PolarHBondContact OD1-NZ 2.81Å; D81-T160 HydrophobicContact CB-CG2 3.51Å; D81-T160 WeakPolarHBondContact OD2-CA 3.4Å |
| 82 | N | 91.6 | Very high | 89.2 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.5 | -27.5 | 175.3 | -67.8 | -38 | 0 | 0 | 0 | 112.9 | I78 D79 S84 | I78-N82 PolarHBondContact O-N 2.65Å; I78-N82 PolarHBondContact O-ND2 2.74Å; D79-N82 CarbonylContact O-C 3.59Å; D79-N82 WeakPolarHBondContact O-CA 3.46Å; D79-N82 WeakPolarHBondContact O-CB 3.42Å; D79-N82 PolarHBondContact O-N 2.92Å; D79-N82 VanDerWaalsContact O-N 3.08Å; N82-S84 VanDerWaalsContact C-N 3.32Å |
| 83 | R | 93.9 | Very high | 90.3 | Very high | 62 Ų | 62 | 56.1 Ų | 56.1 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 5 | 172 | -74.7 | -169.5 | -82.4 | 145 | 2.4 | 114 | D79 A80 D81 F131 S132 R134 V137 | D79-R83 PolarHBondContact O-N 3.09Å; D79-R83 IonicContact OD2-CZ 3.44Å; D79-R83 IonicContact OD2-NE 3.28Å; D79-R83 PolarHBondContact OD2-NE 3.15Å; D79-R83 IonicContact OD2-NH2 2.69Å; D79-R83 PolarHBondContact OD2-NH2 2.94Å; A80-R83 CarbonylContact O-C 3.5Å; A80-R83 PolarHBondContact O-N 2.99Å; D81-R83 VanDerWaalsContact C-N 3.3Å; D81-R83 PolarHBondContact O-N 3.4Å; R83-F131 PolarHBondContact O-N 3.29Å; R83-S132 WeakPolarHBondContact CD-O 3.43Å; R83-S132 PolarHBondContact NH1-O 3.02Å; R83-R134 HydrophobicContact CG-CB 4.34Å; R83-R134 HydrophobicContact CG-CG 3.41Å; R83-R134 VanDerWaalsContact CG-CG 3.41Å; R83-V137 VanDerWaalsContact C-CG2 3.46Å; R83-V137 WeakPolarHBondContact O-CG2 3.46Å |
| 84 | S | 94.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148.5 | -177.7 | -65.8 | 0 | 0 | 0 | 0 | 113.9 | A80 D81 N82 I129 K158 | A80-S84 WeakPolarHBondContact O-CB 3.43Å; A80-S84 PolarHBondContact O-N 3.21Å; A80-S84 VanDerWaalsContact O-N 3.1Å; A80-S84 PolarHBondContact O-OG 2.66Å; D81-S84 WeakPolarHBondContact O-CB 3.33Å; D81-S84 PolarHBondContact O-N 3.32Å; N82-S84 VanDerWaalsContact C-N 3.32Å; S84-I129 CarbonylContact C-O 3.46Å; S84-I129 WeakPolarHBondContact CA-O 3.15Å; S84-I129 WeakPolarHBondContact CB-O 3.31Å; S84-K158 VanDerWaalsContact O-CB 3.29Å; S84-K158 WeakPolarHBondContact O-CB 3.21Å; S84-K158 PolarHBondContact O-N 3.11Å; S84-K158 PolarHBondContact OG-NZ 2.88Å |
| 85 | I | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 154.9 | 162.5 | 58.3 | 175.3 | 0 | 0 | 0 | 111.9 | V87 F103 Y128 I129 F131 V137 A140 V155 L156 | I85-V87 HydrophobicContact CD1-CG2 3.66Å; I85-V87 HydrophobicContact CG1-CG2 4.03Å; I85-F103 HydrophobicContact CD1-CD1 3.92Å; I85-F103 HydrophobicContact CD1-CE1 3.85Å; I85-F103 HydrophobicContact CD1-CG 4.33Å; I85-F103 HydrophobicContact CD1-CZ 4.21Å; I85-Y128 WeakPolarHBondContact O-CA 3.41Å; I85-I129 HydrophobicContact CD1-CB 4.12Å; I85-I129 HydrophobicContact CD1-CD1 4.33Å; I85-I129 HydrophobicContact CG1-CB 3.77Å; I85-I129 PolarHBondContact N-O 2.87Å; I85-I129 PolarHBondContact O-N 2.85Å; I85-I129 VanDerWaalsContact O-N 3.13Å; I85-F131 HydrophobicContact CD1-CE2 3.77Å; I85-F131 HydrophobicContact CD1-CZ 3.91Å; I85-F131 HydrophobicContact CG1-CE2 3.82Å; I85-F131 HydrophobicContact CG1-CZ 4.41Å; I85-F131 HydrophobicContact CG2-CE2 4.04Å; I85-V137 HydrophobicContact CG2-CB 4.45Å; I85-V137 HydrophobicContact CG2-CG1 3.85Å; I85-A140 HydrophobicContact CD1-CB 3.88Å; I85-A140 HydrophobicContact CG2-CB 4.17Å; I85-V155 HydrophobicContact CB-CG1 4.17Å; I85-V155 HydrophobicContact CD1-CG1 3.98Å; I85-V155 HydrophobicContact CG2-CG1 4.18Å; I85-L156 CarbonylContact C-O 3.58Å; I85-L156 WeakPolarHBondContact CA-O 3.27Å |
| 86 | Y | 95.9 | Very high | 91.9 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128.4 | 159.1 | 162.3 | -91 | 0 | 0 | 0 | 108.4 | F126 Y128 V155 L156 | Y86-F126 HydrophobicContact CE2-CB 4.21Å; Y86-F126 AromaticContact CE2-CD1 3.79Å; Y86-F126 HydrophobicContact CE2-CD1 3.79Å; Y86-F126 HydrophobicContact CE2-CG 4.17Å; Y86-F126 AromaticContact CZ-CD1 3.64Å; Y86-F126 WeakPolarHBondContact OH-CD1 3.43Å; Y86-F126 WeakPolarHBondContact OH-CE1 3.49Å; Y86-Y128 HydrophobicContact CD2-CD1 4.45Å; Y86-Y128 AromaticContact CD2-CE1 3.81Å; Y86-Y128 HydrophobicContact CD2-CE1 3.81Å; Y86-Y128 HydrophobicContact CG-CE1 4.42Å; Y86-V155 WeakPolarHBondContact O-CA 3.25Å; Y86-L156 HydrophobicContact CD1-CB 4.16Å; Y86-L156 HydrophobicContact CD1-CD1 4.35Å; Y86-L156 PolarHBondContact N-O 2.88Å; Y86-L156 PolarHBondContact O-N 3.42Å |
| 87 | V | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.7 | 172.7 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | I85 V90 F103 F126 A127 I129 L153 | I85-V87 HydrophobicContact CD1-CG2 3.66Å; I85-V87 HydrophobicContact CG1-CG2 4.03Å; V87-V90 HydrophobicContact CB-CG2 4.25Å; V87-V90 HydrophobicContact CG1-CG2 3.74Å; V87-F103 HydrophobicContact CG1-CE2 4.25Å; V87-F103 HydrophobicContact CG1-CZ 4.27Å; V87-F103 HydrophobicContact CG2-CE2 3.89Å; V87-F103 HydrophobicContact CG2-CZ 3.91Å; V87-F126 CarbonylContact O-C 3.55Å; V87-F126 WeakPolarHBondContact O-CA 3.46Å; V87-A127 PolarHBondContact N-O 3.13Å; V87-A127 PolarHBondContact O-N 3.48Å; V87-I129 HydrophobicContact CG2-CD1 4Å; V87-I129 HydrophobicContact CG2-CG1 4.35Å; V87-L153 HydrophobicContact CG1-CB 4.46Å; V87-L153 HydrophobicContact CG1-CD1 4.16Å; V87-L153 HydrophobicContact CG1-CD2 4.13Å; V87-L153 HydrophobicContact CG1-CG 4.5Å |
| 88 | G | 95.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 165.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V90 G125 K154 | G88-V90 PolarHBondContact O-N 3.08Å; G88-G125 CarbonylContact C-O 3.59Å; G88-K154 PolarHBondContact N-O 2.66Å; G88-K154 PolarHBondContact O-N 2.96Å |
| 89 | N | 94.9 | Very high | 93.2 | Very high | 84 Ų | 84 | 41 Ų | 41 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 61.6 | 27.8 | -168.5 | -162.3 | 46.4 | 0 | 0 | 0 | 113.4 | G125 V152 | N89-G125 PolarHBondContact N-O 3.27Å; N89-V152 PolarHBondContact ND2-O 3.41Å |
| 90 | V | 94.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | trans | -62.4 | 148.1 | 173 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | V87 G88 A94 L99 G125 R151 L153 | V87-V90 HydrophobicContact CB-CG2 4.25Å; V87-V90 HydrophobicContact CG1-CG2 3.74Å; G88-V90 PolarHBondContact O-N 3.08Å; V90-A94 HydrophobicContact CG1-CB 3.61Å; V90-L99 HydrophobicContact CG1-CD1 4.29Å; V90-L99 HydrophobicContact CG1-CD2 4.13Å; V90-G125 PolarHBondContact N-O 3.42Å; V90-R151 PolarHBondContact O-NH1 2.99Å; V90-L153 HydrophobicContact CG2-CD2 4.23Å | ||
| 91 | D | 94.4 | Very high | 93.7 | Very high | 29 Ų | 29 | 49 Ų | 49 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | trans | -66.5 | 150.7 | 174 | -176.2 | 51.5 | 0 | 0 | 0 | 112.2 | G93 A94 R149 R151 | D91-G93 VanDerWaalsContact C-N 3.3Å; D91-G93 PolarHBondContact O-N 2.94Å; D91-G93 PolarHBondContact OD2-N 3.02Å; D91-A94 HydrophobicContact CB-CB 4.44Å; D91-A94 WeakPolarHBondContact O-CB 3.38Å; D91-A94 PolarHBondContact O-N 3.46Å; D91-R149 HydrophobicContact CB-CB 4.18Å; D91-R149 IonicContact OD2-CZ 2.78Å; D91-R149 IonicContact OD2-NE 3.29Å; D91-R149 PolarHBondContact OD2-NE 3.45Å; D91-R149 IonicContact OD2-NH2 3.11Å; D91-R149 PolarHBondContact OD2-NH2 3.35Å; D91-R151 IonicContact OD1-CZ 3.04Å; D91-R151 IonicContact OD1-NE 3.09Å; D91-R151 PolarHBondContact OD1-NE 3.16Å; D91-R151 VanDerWaalsContact OD1-NE 3.09Å; D91-R151 IonicContact OD1-NH1 3.95Å; D91-R151 IonicContact OD1-NH2 2.69Å; D91-R151 PolarHBondContact OD1-NH2 3.25Å | ||
| 92 | Y | 92.3 | Very high | 93.9 | Very high | 141 Ų | 141 | 50.2 Ų | 50.2 | 55% | 0.553 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -18.2 | -178.9 | -61.1 | -54.7 | 0 | 0 | 0 | 113.4 | P123 | Y92-P123 HydrophobicContact CD1-CG 4.3Å; Y92-P123 WeakPolarHBondContact CD1-O 3.49Å; Y92-P123 VanDerWaalsContact CE1-O 3.31Å; Y92-P123 WeakPolarHBondContact CE1-O 3.41Å; Y92-P123 WeakPolarHBondContact O-CG 3.19Å |
| 93 | G | 91.3 | Very high | 94 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 13.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D91 R149 | D91-G93 VanDerWaalsContact C-N 3.3Å; D91-G93 PolarHBondContact O-N 2.94Å; D91-G93 PolarHBondContact OD2-N 3.02Å; G93-R149 VanDerWaalsContact O-CZ 3.23Å; G93-R149 PolarHBondContact O-NH1 3.43Å; G93-R149 PolarHBondContact O-NH2 2.84Å |
| 94 | A | 91.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | trans | -72.8 | 136.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V90 D91 E98 F148 | V90-A94 HydrophobicContact CG1-CB 3.61Å; D91-A94 HydrophobicContact CB-CB 4.44Å; D91-A94 WeakPolarHBondContact O-CB 3.38Å; D91-A94 PolarHBondContact O-N 3.46Å; A94-E98 WeakPolarHBondContact CA-OE2 3.5Å; A94-F148 HydrophobicContact CB-CE1 3.76Å; A94-F148 HydrophobicContact CB-CZ 4.12Å | ||
| 95 | T | 93.9 | Very high | 93.8 | Very high | 59 Ų | 59 | 52.3 Ų | 52.3 | 36% | 0.362 | 30% | 0.297 | S | S | . | . | trans | -90.9 | 169.5 | 172.5 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | D97 E98 | T95-D97 VanDerWaalsContact C-N 3.35Å; T95-E98 PolarHBondContact N-OE2 3.1Å; T95-E98 WeakPolarHBondContact OG1-CG 3.31Å; T95-E98 PolarHBondContact OG1-N 3.46Å; T95-E98 VanDerWaalsContact OG1-N 3.12Å | ||
| 96 | A | 92.6 | Very high | 93.6 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E98 L99 E100 V112 | A96-E98 PolarHBondContact O-N 2.66Å; A96-L99 WeakPolarHBondContact O-CB 3.46Å; A96-L99 PolarHBondContact O-N 2.83Å; A96-E100 PolarHBondContact O-N 3.31Å; A96-V112 HydrophobicContact CB-CB 4.09Å; A96-V112 HydrophobicContact CB-CG1 3.97Å |
| 97 | D | 94.6 | Very high | 93.4 | Very high | 104 Ų | 104 | 51.2 Ų | 51.2 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.8 | -40.5 | -176.6 | -17.6 | -28 | 0 | 0 | 0 | 112 | T95 L99 E100 I101 | T95-D97 VanDerWaalsContact C-N 3.35Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 3Å; D97-E100 PolarHBondContact O-N 2.85Å; D97-I101 WeakPolarHBondContact O-CB 3.33Å; D97-I101 WeakPolarHBondContact O-CD1 3.46Å; D97-I101 VanDerWaalsContact O-CG1 3.25Å; D97-I101 WeakPolarHBondContact O-CG1 3.42Å; D97-I101 PolarHBondContact O-N 2.84Å |
| 98 | E | 94.4 | Very high | 93.4 | Very high | 65 Ų | 65 | 54 Ų | 54 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 174.5 | -75.7 | 179.5 | 154.6 | 0 | 0 | 112.6 | A94 T95 A96 H102 F148 R149 | A94-E98 WeakPolarHBondContact CA-OE2 3.5Å; T95-E98 PolarHBondContact N-OE2 3.1Å; T95-E98 WeakPolarHBondContact OG1-CG 3.31Å; T95-E98 PolarHBondContact OG1-N 3.46Å; T95-E98 VanDerWaalsContact OG1-N 3.12Å; A96-E98 PolarHBondContact O-N 2.66Å; E98-H102 WeakPolarHBondContact O-CB 3.27Å; E98-H102 PolarHBondContact O-N 3.2Å; E98-H102 VanDerWaalsContact O-N 3.16Å; E98-F148 HydrophobicContact CB-CE2 4.05Å; E98-F148 HydrophobicContact CB-CZ 3.81Å; E98-R149 IonicContact OE1-CZ 3.42Å; E98-R149 IonicContact OE1-NH1 3.29Å; E98-R149 PolarHBondContact OE1-NH1 3.17Å; E98-R149 VanDerWaalsContact OE2-CD 3.28Å; E98-R149 WeakPolarHBondContact OE2-CD 3.26Å; E98-R149 IonicContact OE2-CZ 3.8Å; E98-R149 IonicContact OE2-NE 2.64Å; E98-R149 IonicContact OE2-NH1 2.77Å; E98-R149 PolarHBondContact OE2-NH1 2.92Å |
| 99 | L | 93.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.4 | -41 | 176.2 | -67.4 | 172.4 | 0 | 0 | 0 | 110.9 | V90 A96 D97 H102 F103 V112 I114 A127 I129 F148 | V90-L99 HydrophobicContact CG1-CD1 4.29Å; V90-L99 HydrophobicContact CG1-CD2 4.13Å; A96-L99 WeakPolarHBondContact O-CB 3.46Å; A96-L99 PolarHBondContact O-N 2.83Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 3Å; L99-H102 PolarHBondContact O-N 3.38Å; L99-F103 VanDerWaalsContact O-CD2 3.31Å; L99-F103 WeakPolarHBondContact O-CD2 3.28Å; L99-F103 PolarHBondContact O-N 3.27Å; L99-V112 HydrophobicContact CB-CG1 4.46Å; L99-V112 HydrophobicContact CD1-CG1 4.22Å; L99-I114 HydrophobicContact CD1-CD1 4.13Å; L99-I114 HydrophobicContact CD1-CG1 4.09Å; L99-A127 HydrophobicContact CD1-CB 3.91Å; L99-I129 HydrophobicContact CB-CD1 4.13Å; L99-F148 HydrophobicContact CD2-CE1 4.31Å; L99-F148 HydrophobicContact CD2-CE2 4.34Å; L99-F148 HydrophobicContact CD2-CZ 4.08Å |
| 100 | E | 94.4 | Very high | 93.3 | Very high | 92 Ų | 92 | 56 Ų | 56 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.2 | -50.2 | 175.4 | -168.3 | 177.3 | 146.5 | 0 | 0 | 110.8 | A96 D97 H102 F103 N104 V109 V112 | A96-E100 PolarHBondContact O-N 3.31Å; D97-E100 PolarHBondContact O-N 2.85Å; E100-H102 VanDerWaalsContact C-N 3.31Å; E100-H102 PolarHBondContact O-N 2.95Å; E100-F103 PolarHBondContact O-N 3.48Å; E100-N104 VanDerWaalsContact O-CB 3.27Å; E100-N104 WeakPolarHBondContact O-CB 3.33Å; E100-N104 PolarHBondContact O-N 3.11Å; E100-V109 HydrophobicContact CG-CB 4.07Å; E100-V109 HydrophobicContact CG-CG1 4.27Å; E100-V109 HydrophobicContact CG-CG2 4.23Å; E100-V112 HydrophobicContact CB-CG2 4.23Å |
| 101 | I | 94.1 | Very high | 93.2 | Very high | 134 Ų | 134 | 60.2 Ų | 60.2 | 69% | 0.687 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.3 | -40.8 | 176.2 | -69.2 | 161.9 | 0 | 0 | 0 | 111.9 | D97 | D97-I101 WeakPolarHBondContact O-CB 3.33Å; D97-I101 WeakPolarHBondContact O-CD1 3.46Å; D97-I101 VanDerWaalsContact O-CG1 3.25Å; D97-I101 WeakPolarHBondContact O-CG1 3.42Å; D97-I101 PolarHBondContact O-N 2.84Å |
| 102 | H | 93.1 | Very high | 93.2 | Very high | 52 Ų | 52 | 60 Ų | 60 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 178.7 | -171.1 | 94 | 0 | 0 | 0 | 113 | E98 L99 E100 T146 F148 | E98-H102 WeakPolarHBondContact O-CB 3.27Å; E98-H102 PolarHBondContact O-N 3.2Å; E98-H102 VanDerWaalsContact O-N 3.16Å; L99-H102 PolarHBondContact O-N 3.38Å; E100-H102 VanDerWaalsContact C-N 3.31Å; E100-H102 PolarHBondContact O-N 2.95Å; H102-T146 PolarHBondContact NE2-OG1 3.15Å; H102-F148 HydrophobicContact CB-CD2 4.39Å; H102-F148 HydrophobicContact CB-CE2 4.5Å; H102-F148 AromaticContact ND1-CD2 3.87Å |
| 103 | F | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -99.8 | -11.3 | -177.3 | -73.8 | -74.9 | 0 | 0 | 0 | 115 | I85 V87 L99 E100 G105 C106 I129 F131 A140 L143 L153 V155 | I85-F103 HydrophobicContact CD1-CD1 3.92Å; I85-F103 HydrophobicContact CD1-CE1 3.85Å; I85-F103 HydrophobicContact CD1-CG 4.33Å; I85-F103 HydrophobicContact CD1-CZ 4.21Å; V87-F103 HydrophobicContact CG1-CE2 4.25Å; V87-F103 HydrophobicContact CG1-CZ 4.27Å; V87-F103 HydrophobicContact CG2-CE2 3.89Å; V87-F103 HydrophobicContact CG2-CZ 3.91Å; L99-F103 VanDerWaalsContact O-CD2 3.31Å; L99-F103 WeakPolarHBondContact O-CD2 3.28Å; L99-F103 PolarHBondContact O-N 3.27Å; E100-F103 PolarHBondContact O-N 3.48Å; F103-G105 PolarHBondContact O-N 3.06Å; F103-G105 VanDerWaalsContact O-N 3.16Å; F103-C106 WeakPolarHBondContact O-CB 3.42Å; F103-C106 PolarHBondContact O-N 2.83Å; F103-I129 HydrophobicContact CB-CD1 4.4Å; F103-I129 HydrophobicContact CD2-CD1 3.33Å; F103-I129 HydrophobicContact CE2-CD1 3.82Å; F103-I129 HydrophobicContact CG-CD1 4.01Å; F103-F131 HydrophobicContact CB-CE1 4.25Å; F103-F131 HydrophobicContact CB-CZ 4.15Å; F103-A140 HydrophobicContact CD1-CB 3.88Å; F103-A140 HydrophobicContact CE1-CB 4.15Å; F103-L143 HydrophobicContact CD1-CD1 4.08Å; F103-L143 HydrophobicContact CE1-CB 4.22Å; F103-L143 HydrophobicContact CE1-CD1 4.17Å; F103-L153 HydrophobicContact CE2-CD1 4.3Å; F103-L153 HydrophobicContact CZ-CD1 4.23Å; F103-V155 HydrophobicContact CE1-CG2 3.92Å; F103-V155 HydrophobicContact CZ-CG2 3.72Å |
| 104 | N | 92.6 | Very high | 93.3 | Very high | 103 Ų | 103 | 56 Ų | 56 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -56.1 | -30.8 | 176.4 | -176.4 | 38.3 | 0 | 0 | 0 | 112.7 | E100 C106 G107 | E100-N104 VanDerWaalsContact O-CB 3.27Å; E100-N104 WeakPolarHBondContact O-CB 3.33Å; E100-N104 PolarHBondContact O-N 3.11Å; N104-C106 PolarHBondContact O-N 2.87Å; N104-G107 PolarHBondContact O-N 2.88Å; N104-G107 VanDerWaalsContact O-N 3.14Å |
| 105 | G | 91.1 | Very high | 93.3 | Very high | 80 Ų | 80 | 58.1 Ų | 58.1 | 83% | 0.825 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -65 | -12 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F103 | F103-G105 PolarHBondContact O-N 3.06Å; F103-G105 VanDerWaalsContact O-N 3.16Å |
| 106 | C | 91.3 | Very high | 93.1 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -97.8 | -13.4 | 174.8 | -61.6 | 0 | 0 | 0 | 0 | 113.4 | F103 N104 S136 A140 L143 | F103-C106 WeakPolarHBondContact O-CB 3.42Å; F103-C106 PolarHBondContact O-N 2.83Å; N104-C106 PolarHBondContact O-N 2.87Å; C106-S136 WeakPolarHBondContact O-CA 3.34Å; C106-S136 WeakPolarHBondContact O-CB 3.31Å; C106-S136 PolarHBondContact O-OG 2.84Å; C106-S136 VanDerWaalsContact O-OG 3.14Å; C106-A140 HydrophobicContact CB-CB 4.06Å; C106-A140 VanDerWaalsContact SG-CA 3.59Å; C106-L143 WeakPolarHBondContact SG-CD1 3.48Å |
| 107 | G | 93.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 139 | 175.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N104 V109 | N104-G107 PolarHBondContact O-N 2.88Å; N104-G107 VanDerWaalsContact O-N 3.14Å; G107-V109 PolarHBondContact O-N 3.23Å |
| 108 | P | 94.5 | Very high | 92.7 | Very high | 59 Ų | 59 | 66 Ų | 66 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | trans | -66 | 125.3 | -173.7 | 27.2 | -35.4 | 0 | 0 | 0 | 112.1 | F131 S132 D133 | P108-F131 WeakPolarHBondContact O-CA 3.43Å; P108-S132 PolarHBondContact O-N 2.92Å; P108-D133 WeakPolarHBondContact CG-OD2 3.35Å | ||
| 109 | V | 94.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 72 Ų | 72 | 16% | 0.158 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.5 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 109.2 | E100 G107 V112 I129 F131 | E100-V109 HydrophobicContact CG-CB 4.07Å; E100-V109 HydrophobicContact CG-CG1 4.27Å; E100-V109 HydrophobicContact CG-CG2 4.23Å; G107-V109 PolarHBondContact O-N 3.23Å; V109-V112 HydrophobicContact CG1-CG2 3.89Å; V109-I129 HydrophobicContact CB-CG2 4.49Å; V109-I129 HydrophobicContact CG1-CG2 3.75Å; V109-I129 HydrophobicContact CG2-CG2 3.96Å; V109-F131 HydrophobicContact CG2-CD1 3.95Å; V109-F131 HydrophobicContact CG2-CE1 3.76Å |
| 110 | N | 93 | Very high | 92.1 | Very high | 100 Ų | 100 | 75.1 Ų | 75.1 | 54% | 0.535 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -37.9 | 172.9 | -169.7 | 39.1 | 0 | 0 | 0 | 111.3 | E130 | N110-E130 HydrophobicContact CB-CG 4.48Å; N110-E130 PolarHBondContact N-O 2.77Å; N110-E130 PolarHBondContact ND2-OE1 3.12Å |
| 111 | R | 91.3 | Very high | 91.7 | Very high | 92 Ų | 92 | 73.2 Ų | 73.2 | 35% | 0.347 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 132.1 | -176.2 | 178.6 | 178.2 | 175.1 | 161.2 | 3.1 | 113 | T113 I129 E130 | R111-T113 PolarHBondContact NE-OG1 3.4Å; R111-T113 VanDerWaalsContact NE-OG1 3.13Å; R111-I129 WeakPolarHBondContact O-CA 3.33Å; R111-E130 HydrophobicContact CB-CB 4.14Å; R111-E130 PolarHBondContact N-O 2.86Å; R111-E130 PolarHBondContact O-N 2.88Å |
| 112 | V | 94.5 | Very high | 91.4 | Very high | 25 Ų | 25 | 73 Ų | 73 | 15% | 0.152 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 143.5 | 164.2 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | A96 L99 E100 V109 I114 I129 | A96-V112 HydrophobicContact CB-CB 4.09Å; A96-V112 HydrophobicContact CB-CG1 3.97Å; L99-V112 HydrophobicContact CB-CG1 4.46Å; L99-V112 HydrophobicContact CD1-CG1 4.22Å; E100-V112 HydrophobicContact CB-CG2 4.23Å; V109-V112 HydrophobicContact CG1-CG2 3.89Å; V112-I114 HydrophobicContact CG1-CG1 4.43Å; V112-I129 HydrophobicContact CG1-CG1 4.33Å; V112-I129 HydrophobicContact CG2-CG1 4.36Å; V112-I129 HydrophobicContact CG2-CG2 4.42Å |
| 113 | T | 93.1 | Very high | 91.3 | Very high | 45 Ų | 45 | 72.4 Ų | 72.4 | 28% | 0.276 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 101.4 | 175.2 | -67.4 | 0 | 0 | 0 | 0 | 110.5 | R111 L115 A127 Y128 | R111-T113 PolarHBondContact NE-OG1 3.4Å; R111-T113 VanDerWaalsContact NE-OG1 3.13Å; T113-L115 HydrophobicContact CG2-CD1 4.28Å; T113-A127 WeakPolarHBondContact O-CA 3.4Å; T113-Y128 PolarHBondContact N-O 2.64Å; T113-Y128 PolarHBondContact O-N 2.95Å |
| 114 | I | 93.8 | Very high | 91.1 | Very high | 53 Ų | 53 | 78.4 Ų | 78.4 | 27% | 0.272 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 132.4 | 175.4 | -58.5 | 175.4 | 0 | 0 | 0 | 109.1 | L99 V112 P123 A127 | L99-I114 HydrophobicContact CD1-CD1 4.13Å; L99-I114 HydrophobicContact CD1-CG1 4.09Å; V112-I114 HydrophobicContact CG1-CG1 4.43Å; I114-P123 HydrophobicContact CG2-CB 4.33Å; I114-A127 HydrophobicContact CG1-CB 4.14Å |
| 115 | L | 91.1 | Very high | 91.1 | Very high | 62 Ų | 62 | 73.8 Ų | 73.8 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 109.6 | 178.5 | -107.4 | 65.7 | 0 | 0 | 0 | 111 | T113 K124 F126 Y128 | T113-L115 HydrophobicContact CG2-CD1 4.28Å; L115-K124 WeakPolarHBondContact O-CB 3.49Å; L115-K124 PolarHBondContact O-N 3Å; L115-F126 PolarHBondContact N-O 3.13Å; L115-Y128 HydrophobicContact CD1-CD2 3.77Å; L115-Y128 HydrophobicContact CD1-CE2 3.71Å; L115-Y128 HydrophobicContact CD2-CE2 3.93Å; L115-Y128 HydrophobicContact CG-CE2 4.47Å |
| 116 | C | 90.6 | Very high | 91.2 | Very high | 72 Ų | 72 | 73.2 Ų | 73.2 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 153.7 | 166.2 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | H122 | C116-H122 CarbonylContact C-O 3.6Å; C116-H122 WeakPolarHBondContact CA-O 3.21Å |
| 117 | D | 90.8 | Very high | 91.4 | Very high | 60 Ų | 60 | 72.4 Ų | 72.4 | 32% | 0.321 | 38% | 0.375 | S | S | . | . | trans | -71.9 | 137.7 | 167.6 | 169.7 | 51.9 | 0 | 0 | 0 | 110.9 | F119 S120 G121 H122 | D117-F119 VanDerWaalsContact C-N 3.32Å; D117-F119 PolarHBondContact O-N 3.17Å; D117-F119 PolarHBondContact OD2-N 3.41Å; D117-S120 WeakPolarHBondContact CB-OG 3.29Å; D117-S120 WeakPolarHBondContact OD2-CB 3.31Å; D117-S120 PolarHBondContact OD2-N 3.36Å; D117-S120 PolarHBondContact OD2-OG 3.27Å; D117-G121 WeakPolarHBondContact O-CA 3.37Å; D117-G121 PolarHBondContact O-N 3.41Å; D117-H122 PolarHBondContact N-O 3.02Å | ||
| 118 | R | 87.9 | Confident | 91.5 | Very high | 232 Ų | 232 | 74.9 Ų | 74.9 | 88% | 0.875 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -24.9 | -174.9 | -175.1 | 175.4 | 178.4 | -174.1 | 0.2 | 113.4 | ||
| 119 | F | 87 | Confident | 91.5 | Very high | 192 Ų | 192 | 72 Ų | 72 | 84% | 0.842 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -40.6 | -173.1 | -57.8 | -77.9 | 0 | 0 | 0 | 112.7 | D117 | D117-F119 VanDerWaalsContact C-N 3.32Å; D117-F119 PolarHBondContact O-N 3.17Å; D117-F119 PolarHBondContact OD2-N 3.41Å |
| 120 | S | 88 | Confident | 91.5 | Very high | 66 Ų | 66 | 72.4 Ų | 72.4 | 46% | 0.462 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -15.3 | 178.4 | 61.9 | 0 | 0 | 0 | 0 | 114 | D117 H122 | D117-S120 WeakPolarHBondContact CB-OG 3.29Å; D117-S120 WeakPolarHBondContact OD2-CB 3.31Å; D117-S120 PolarHBondContact OD2-N 3.36Å; D117-S120 PolarHBondContact OD2-OG 3.27Å; S120-H122 PolarHBondContact O-N 3.48Å; S120-H122 VanDerWaalsContact O-N 3.09Å; S120-H122 PolarHBondContact O-ND1 3.25Å; S120-H122 PolarHBondContact OG-N 2.96Å |
| 121 | G | 86.8 | Confident | 91.7 | Very high | 51 Ų | 51 | 67.6 Ų | 67.6 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | trans | 69.4 | -5.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D117 | D117-G121 WeakPolarHBondContact O-CA 3.37Å; D117-G121 PolarHBondContact O-N 3.41Å | ||
| 122 | H | 87.2 | Confident | 91.8 | Very high | 131 Ų | 131 | 65.5 Ų | 65.5 | 61% | 0.606 | 34% | 0.336 | S | S | * | . | trans | -74.9 | 139.9 | -173.9 | -73.3 | 51.1 | 0 | 0 | 0 | 111.2 | C116 D117 S120 K124 | C116-H122 CarbonylContact C-O 3.6Å; C116-H122 WeakPolarHBondContact CA-O 3.21Å; D117-H122 PolarHBondContact N-O 3.02Å; S120-H122 PolarHBondContact O-N 3.48Å; S120-H122 VanDerWaalsContact O-N 3.09Å; S120-H122 PolarHBondContact O-ND1 3.25Å; S120-H122 PolarHBondContact OG-N 2.96Å; H122-K124 PolarHBondContact O-N 3.26Å | ||
| 123 | P | 90.8 | Very high | 91.7 | Very high | 38 Ų | 38 | 68.3 Ų | 68.3 | 25% | 0.247 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 136.4 | 175.6 | 22.1 | -28.8 | 0 | 0 | 0 | 110.9 | Y92 I114 G125 | Y92-P123 HydrophobicContact CD1-CG 4.3Å; Y92-P123 WeakPolarHBondContact CD1-O 3.49Å; Y92-P123 VanDerWaalsContact CE1-O 3.31Å; Y92-P123 WeakPolarHBondContact CE1-O 3.41Å; Y92-P123 WeakPolarHBondContact O-CG 3.19Å; I114-P123 HydrophobicContact CG2-CB 4.33Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.79Å |
| 124 | K | 90.1 | Very high | 91.7 | Very high | 127 Ų | 127 | 72.9 Ų | 72.9 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 1.6 | -171.9 | -156 | 177.5 | 177.5 | 174.8 | 0 | 113.6 | L115 H122 F126 | L115-K124 WeakPolarHBondContact O-CB 3.49Å; L115-K124 PolarHBondContact O-N 3Å; H122-K124 PolarHBondContact O-N 3.26Å; K124-F126 VanDerWaalsContact C-N 3.33Å; K124-F126 HydrophobicContact CB-CD2 3.95Å; K124-F126 HydrophobicContact CD-CD2 4Å; K124-F126 HydrophobicContact CD-CE2 4.31Å; K124-F126 HydrophobicContact CG-CD2 3.74Å; K124-F126 HydrophobicContact CG-CE2 3.93Å; K124-F126 WeakPolarHBondContact O-CD2 3Å; K124-F126 VanDerWaalsContact O-CE2 3.25Å; K124-F126 WeakPolarHBondContact O-CE2 3.45Å |
| 125 | G | 92.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 75.8 Ų | 75.8 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.4 | 20.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | G88 N89 V90 P123 | G88-G125 CarbonylContact C-O 3.59Å; N89-G125 PolarHBondContact N-O 3.27Å; V90-G125 PolarHBondContact N-O 3.42Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.79Å |
| 126 | F | 93.8 | Very high | 91.8 | Very high | 68 Ų | 68 | 73.2 Ų | 73.2 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.3 | -179.5 | -53.4 | -61.5 | 0 | 0 | 0 | 111 | Y86 V87 L115 K124 | Y86-F126 HydrophobicContact CE2-CB 4.21Å; Y86-F126 AromaticContact CE2-CD1 3.79Å; Y86-F126 HydrophobicContact CE2-CD1 3.79Å; Y86-F126 HydrophobicContact CE2-CG 4.17Å; Y86-F126 AromaticContact CZ-CD1 3.64Å; Y86-F126 WeakPolarHBondContact OH-CD1 3.43Å; Y86-F126 WeakPolarHBondContact OH-CE1 3.49Å; V87-F126 CarbonylContact O-C 3.55Å; V87-F126 WeakPolarHBondContact O-CA 3.46Å; L115-F126 PolarHBondContact N-O 3.13Å; K124-F126 VanDerWaalsContact C-N 3.33Å; K124-F126 HydrophobicContact CB-CD2 3.95Å; K124-F126 HydrophobicContact CD-CD2 4Å; K124-F126 HydrophobicContact CD-CE2 4.31Å; K124-F126 HydrophobicContact CG-CD2 3.74Å; K124-F126 HydrophobicContact CG-CE2 3.93Å; K124-F126 WeakPolarHBondContact O-CD2 3Å; K124-F126 VanDerWaalsContact O-CE2 3.25Å; K124-F126 WeakPolarHBondContact O-CE2 3.45Å |
| 127 | A | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 156.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V87 L99 T113 I114 | V87-A127 PolarHBondContact N-O 3.13Å; V87-A127 PolarHBondContact O-N 3.48Å; L99-A127 HydrophobicContact CD1-CB 3.91Å; T113-A127 WeakPolarHBondContact O-CA 3.4Å; I114-A127 HydrophobicContact CG1-CB 4.14Å |
| 128 | Y | 95.2 | Very high | 92.1 | Very high | 68 Ų | 68 | 74 Ų | 74 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.6 | 162 | -60 | -72.7 | 0 | 0 | 0 | 108.8 | I85 Y86 T113 L115 K158 | I85-Y128 WeakPolarHBondContact O-CA 3.41Å; Y86-Y128 HydrophobicContact CD2-CD1 4.45Å; Y86-Y128 AromaticContact CD2-CE1 3.81Å; Y86-Y128 HydrophobicContact CD2-CE1 3.81Å; Y86-Y128 HydrophobicContact CG-CE1 4.42Å; T113-Y128 PolarHBondContact N-O 2.64Å; T113-Y128 PolarHBondContact O-N 2.95Å; L115-Y128 HydrophobicContact CD1-CD2 3.77Å; L115-Y128 HydrophobicContact CD1-CE2 3.71Å; L115-Y128 HydrophobicContact CD2-CE2 3.93Å; L115-Y128 HydrophobicContact CG-CE2 4.47Å; Y128-K158 HydrophobicContact CD1-CD 3.81Å; Y128-K158 HydrophobicContact CD1-CG 3.81Å; Y128-K158 HydrophobicContact CE1-CD 4.31Å; Y128-K158 HydrophobicContact CE1-CG 3.9Å; Y128-K158 HydrophobicContact CG-CD 4.38Å |
| 129 | I | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.2 | 173.7 | -56 | 178.8 | 0 | 0 | 0 | 106.6 | S84 I85 V87 L99 F103 V109 R111 V112 F131 | S84-I129 CarbonylContact C-O 3.46Å; S84-I129 WeakPolarHBondContact CA-O 3.15Å; S84-I129 WeakPolarHBondContact CB-O 3.31Å; I85-I129 HydrophobicContact CD1-CB 4.12Å; I85-I129 HydrophobicContact CD1-CD1 4.33Å; I85-I129 HydrophobicContact CG1-CB 3.77Å; I85-I129 PolarHBondContact N-O 2.87Å; I85-I129 PolarHBondContact O-N 2.85Å; I85-I129 VanDerWaalsContact O-N 3.13Å; V87-I129 HydrophobicContact CG2-CD1 4Å; V87-I129 HydrophobicContact CG2-CG1 4.35Å; L99-I129 HydrophobicContact CB-CD1 4.13Å; F103-I129 HydrophobicContact CB-CD1 4.4Å; F103-I129 HydrophobicContact CD2-CD1 3.33Å; F103-I129 HydrophobicContact CE2-CD1 3.82Å; F103-I129 HydrophobicContact CG-CD1 4.01Å; V109-I129 HydrophobicContact CB-CG2 4.49Å; V109-I129 HydrophobicContact CG1-CG2 3.75Å; V109-I129 HydrophobicContact CG2-CG2 3.96Å; R111-I129 WeakPolarHBondContact O-CA 3.33Å; V112-I129 HydrophobicContact CG1-CG1 4.33Å; V112-I129 HydrophobicContact CG2-CG1 4.36Å; V112-I129 HydrophobicContact CG2-CG2 4.42Å; I129-F131 HydrophobicContact CG2-CE1 4.33Å; I129-F131 HydrophobicContact CG2-CE2 4.46Å; I129-F131 HydrophobicContact CG2-CZ 4.16Å |
| 130 | E | 94.9 | Very high | 92.8 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.7 | 178.7 | -172.7 | -172.4 | 130.1 | 0 | 0 | 108 | A80 N110 R111 | A80-E130 HydrophobicContact CB-CG 4.44Å; N110-E130 HydrophobicContact CB-CG 4.48Å; N110-E130 PolarHBondContact N-O 2.77Å; N110-E130 PolarHBondContact ND2-OE1 3.12Å; R111-E130 HydrophobicContact CB-CB 4.14Å; R111-E130 PolarHBondContact N-O 2.86Å; R111-E130 PolarHBondContact O-N 2.88Å |
| 131 | F | 96 | Very high | 93 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 159.1 | 176.2 | -62.3 | -79.9 | 0 | 0 | 0 | 111 | R83 I85 F103 P108 V109 I129 D133 V137 A140 | R83-F131 PolarHBondContact O-N 3.29Å; I85-F131 HydrophobicContact CD1-CE2 3.77Å; I85-F131 HydrophobicContact CD1-CZ 3.91Å; I85-F131 HydrophobicContact CG1-CE2 3.82Å; I85-F131 HydrophobicContact CG1-CZ 4.41Å; I85-F131 HydrophobicContact CG2-CE2 4.04Å; F103-F131 HydrophobicContact CB-CE1 4.25Å; F103-F131 HydrophobicContact CB-CZ 4.15Å; P108-F131 WeakPolarHBondContact O-CA 3.43Å; V109-F131 HydrophobicContact CG2-CD1 3.95Å; V109-F131 HydrophobicContact CG2-CE1 3.76Å; I129-F131 HydrophobicContact CG2-CE1 4.33Å; I129-F131 HydrophobicContact CG2-CE2 4.46Å; I129-F131 HydrophobicContact CG2-CZ 4.16Å; F131-D133 VanDerWaalsContact C-N 3.26Å; F131-D133 PolarHBondContact O-N 2.81Å; F131-V137 HydrophobicContact CD2-CG2 4.15Å; F131-A140 HydrophobicContact CE2-CB 3.87Å; F131-A140 HydrophobicContact CZ-CB 3.74Å |
| 132 | S | 93.9 | Very high | 93.3 | Very high | 48 Ų | 48 | 56.6 Ų | 56.6 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -64.3 | -35.5 | 169.8 | -51.4 | 0 | 0 | 0 | 0 | 111.5 | R83 P108 | R83-S132 WeakPolarHBondContact CD-O 3.43Å; R83-S132 PolarHBondContact NH1-O 3.02Å; P108-S132 PolarHBondContact O-N 2.92Å |
| 133 | D | 93.2 | Very high | 93.5 | Very high | 83 Ų | 83 | 52.7 Ų | 52.7 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -113.7 | 148.4 | -171.5 | -59 | -62.2 | 0 | 0 | 0 | 113.2 | P108 F131 | P108-D133 WeakPolarHBondContact CG-OD2 3.35Å; F131-D133 VanDerWaalsContact C-N 3.26Å; F131-D133 PolarHBondContact O-N 2.81Å |
| 134 | R | 91.9 | Very high | 93.7 | Very high | 141 Ų | 141 | 55.9 Ų | 55.9 | 53% | 0.532 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -71.4 | -29.6 | 175.8 | -72.3 | -178.5 | 176.2 | -167.3 | 3 | 112.9 | D79 R83 V137 | D79-R134 IonicContact OD1-CZ 2.56Å; D79-R134 VanDerWaalsContact OD1-CZ 3.29Å; D79-R134 IonicContact OD1-NE 3.16Å; D79-R134 PolarHBondContact OD1-NE 3.08Å; D79-R134 VanDerWaalsContact OD1-NE 3.11Å; D79-R134 IonicContact OD1-NH2 2.72Å; D79-R134 PolarHBondContact OD1-NH2 2.91Å; R83-R134 HydrophobicContact CG-CB 4.34Å; R83-R134 HydrophobicContact CG-CG 3.41Å; R83-R134 VanDerWaalsContact CG-CG 3.41Å; R134-V137 WeakPolarHBondContact O-CB 3.44Å; R134-V137 PolarHBondContact O-N 3.06Å |
| 135 | D | 93.3 | Very high | 93.9 | Very high | 114 Ų | 114 | 56.7 Ų | 56.7 | 61% | 0.61 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -74.8 | -28 | -176.7 | -63.1 | -41 | 0 | 0 | 0 | 112.6 | V137 Q138 S139 | D135-V137 PolarHBondContact O-N 2.76Å; D135-Q138 WeakPolarHBondContact O-CB 3.4Å; D135-Q138 PolarHBondContact O-N 3.1Å; D135-S139 PolarHBondContact O-N 2.71Å; D135-S139 VanDerWaalsContact O-N 3.15Å |
| 136 | S | 94.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -29 | 171.6 | -59 | 0 | 0 | 0 | 0 | 113.2 | C106 Q138 S139 A140 | C106-S136 WeakPolarHBondContact O-CA 3.34Å; C106-S136 WeakPolarHBondContact O-CB 3.31Å; C106-S136 PolarHBondContact O-OG 2.84Å; C106-S136 VanDerWaalsContact O-OG 3.14Å; S136-Q138 VanDerWaalsContact C-N 3.33Å; S136-Q138 PolarHBondContact O-N 2.84Å; S136-S139 PolarHBondContact O-N 3.34Å; S136-A140 VanDerWaalsContact O-CB 3.27Å; S136-A140 WeakPolarHBondContact O-CB 3.29Å; S136-A140 PolarHBondContact O-N 3.37Å |
| 137 | V | 94.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | R83 I85 F131 R134 D135 I141 P157 | R83-V137 VanDerWaalsContact C-CG2 3.46Å; R83-V137 WeakPolarHBondContact O-CG2 3.46Å; I85-V137 HydrophobicContact CG2-CB 4.45Å; I85-V137 HydrophobicContact CG2-CG1 3.85Å; F131-V137 HydrophobicContact CD2-CG2 4.15Å; R134-V137 WeakPolarHBondContact O-CB 3.44Å; R134-V137 PolarHBondContact O-N 3.06Å; D135-V137 PolarHBondContact O-N 2.76Å; V137-I141 HydrophobicContact CG1-CD1 4.08Å; V137-I141 WeakPolarHBondContact O-CD1 3.37Å; V137-I141 WeakPolarHBondContact O-CG1 3.46Å; V137-I141 PolarHBondContact O-N 3.16Å; V137-P157 HydrophobicContact CG1-CB 4.28Å |
| 138 | Q | 93.8 | Very high | 93.8 | Very high | 138 Ų | 138 | 60.5 Ų | 60.5 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.4 | -44.9 | 178 | -55.5 | -170.2 | 46.6 | 0 | 0 | 110.9 | D135 S136 A140 I141 G142 | D135-Q138 WeakPolarHBondContact O-CB 3.4Å; D135-Q138 PolarHBondContact O-N 3.1Å; S136-Q138 VanDerWaalsContact C-N 3.33Å; S136-Q138 PolarHBondContact O-N 2.84Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 2.94Å; Q138-I141 PolarHBondContact O-N 2.86Å; Q138-G142 PolarHBondContact O-N 3.31Å; Q138-G142 VanDerWaalsContact O-N 3.17Å |
| 139 | S | 94.4 | Very high | 93.6 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 174.2 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | D135 S136 G142 | D135-S139 PolarHBondContact O-N 2.71Å; D135-S139 VanDerWaalsContact O-N 3.15Å; S136-S139 PolarHBondContact O-N 3.34Å; S139-G142 VanDerWaalsContact O-CA 3.31Å; S139-G142 WeakPolarHBondContact O-CA 3.13Å; S139-G142 PolarHBondContact O-N 3.37Å |
| 140 | A | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.5 | -30.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I85 F103 C106 F131 S136 Q138 G142 L143 V155 | I85-A140 HydrophobicContact CD1-CB 3.88Å; I85-A140 HydrophobicContact CG2-CB 4.17Å; F103-A140 HydrophobicContact CD1-CB 3.88Å; F103-A140 HydrophobicContact CE1-CB 4.15Å; C106-A140 HydrophobicContact CB-CB 4.06Å; C106-A140 VanDerWaalsContact SG-CA 3.59Å; F131-A140 HydrophobicContact CE2-CB 3.87Å; F131-A140 HydrophobicContact CZ-CB 3.74Å; S136-A140 VanDerWaalsContact O-CB 3.27Å; S136-A140 WeakPolarHBondContact O-CB 3.29Å; S136-A140 PolarHBondContact O-N 3.37Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 2.94Å; A140-G142 PolarHBondContact O-N 2.88Å; A140-L143 WeakPolarHBondContact O-CB 3.31Å; A140-L143 PolarHBondContact O-N 3.05Å; A140-V155 WeakPolarHBondContact O-CG1 3.19Å |
| 141 | I | 94.2 | Very high | 93.3 | Very high | 59 Ų | 59 | 67.9 Ų | 67.9 | 30% | 0.303 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -29 | 166.6 | -69.6 | 160.4 | 0 | 0 | 0 | 110.5 | V137 Q138 L143 H144 P157 | V137-I141 HydrophobicContact CG1-CD1 4.08Å; V137-I141 WeakPolarHBondContact O-CD1 3.37Å; V137-I141 WeakPolarHBondContact O-CG1 3.46Å; V137-I141 PolarHBondContact O-N 3.16Å; Q138-I141 PolarHBondContact O-N 2.86Å; I141-L143 PolarHBondContact O-N 2.82Å; I141-H144 WeakPolarHBondContact O-CB 3.2Å; I141-H144 PolarHBondContact O-N 2.86Å; I141-H144 VanDerWaalsContact O-N 3.1Å; I141-H144 PolarHBondContact O-ND1 2.69Å; I141-P157 HydrophobicContact CD1-CB 4.2Å; I141-P157 HydrophobicContact CD1-CG 4.17Å |
| 142 | G | 93 | Very high | 93.3 | Very high | 52 Ų | 52 | 71.4 Ų | 71.4 | 54% | 0.536 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q138 S139 A140 H144 | Q138-G142 PolarHBondContact O-N 3.31Å; Q138-G142 VanDerWaalsContact O-N 3.17Å; S139-G142 VanDerWaalsContact O-CA 3.31Å; S139-G142 WeakPolarHBondContact O-CA 3.13Å; S139-G142 PolarHBondContact O-N 3.37Å; A140-G142 PolarHBondContact O-N 2.88Å; G142-H144 VanDerWaalsContact C-N 3.34Å |
| 143 | L | 91.5 | Very high | 93.4 | Very high | 49 Ų | 49 | 69.1 Ų | 69.1 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 16.6 | 175.3 | -56.8 | -173.7 | 0 | 0 | 0 | 113.9 | F103 C106 A140 I141 T146 | F103-L143 HydrophobicContact CD1-CD1 4.08Å; F103-L143 HydrophobicContact CE1-CB 4.22Å; F103-L143 HydrophobicContact CE1-CD1 4.17Å; C106-L143 WeakPolarHBondContact SG-CD1 3.48Å; A140-L143 WeakPolarHBondContact O-CB 3.31Å; A140-L143 PolarHBondContact O-N 3.05Å; I141-L143 PolarHBondContact O-N 2.82Å; L143-T146 HydrophobicContact CB-CG2 3.93Å; L143-T146 HydrophobicContact CD2-CG2 4.12Å; L143-T146 WeakPolarHBondContact O-CB 3.4Å; L143-T146 VanDerWaalsContact O-CG2 3.31Å; L143-T146 WeakPolarHBondContact O-CG2 3.48Å; L143-T146 PolarHBondContact O-N 3.46Å; L143-T146 PolarHBondContact O-OG1 3.04Å |
| 144 | H | 93.9 | Very high | 93.5 | Very high | 106 Ų | 106 | 71 Ų | 71 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 144.1 | 168 | 71.8 | -78.4 | 0 | 0 | 0 | 111.1 | I141 G142 T146 V155 | I141-H144 WeakPolarHBondContact O-CB 3.2Å; I141-H144 PolarHBondContact O-N 2.86Å; I141-H144 VanDerWaalsContact O-N 3.1Å; I141-H144 PolarHBondContact O-ND1 2.69Å; G142-H144 VanDerWaalsContact C-N 3.34Å; H144-T146 PolarHBondContact O-N 3.09Å; H144-T146 VanDerWaalsContact O-N 3.08Å; H144-V155 HydrophobicContact CB-CB 4.49Å |
| 145 | E | 93.6 | Very high | 93.7 | Very high | 143 Ų | 143 | 64.5 Ų | 64.5 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 13.8 | 179.8 | -56.4 | -173.8 | 174.4 | 0 | 0 | 115.4 | V152 L153 | E145-V152 HydrophobicContact CB-CG1 3.87Å; E145-V152 HydrophobicContact CG-CG1 4.16Å; E145-L153 VanDerWaalsContact CA-O 3.29Å; E145-L153 WeakPolarHBondContact CA-O 3.02Å; E145-L153 PolarHBondContact N-O 3.36Å |
| 146 | T | 93.4 | Very high | 93.8 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 23% | 0.233 | 34% | 0.344 | C | S | . | . | trans | -65.8 | 147 | 167.6 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | H102 L143 H144 L153 | H102-T146 PolarHBondContact NE2-OG1 3.15Å; L143-T146 HydrophobicContact CB-CG2 3.93Å; L143-T146 HydrophobicContact CD2-CG2 4.12Å; L143-T146 WeakPolarHBondContact O-CB 3.4Å; L143-T146 VanDerWaalsContact O-CG2 3.31Å; L143-T146 WeakPolarHBondContact O-CG2 3.48Å; L143-T146 PolarHBondContact O-N 3.46Å; L143-T146 PolarHBondContact O-OG1 3.04Å; H144-T146 PolarHBondContact O-N 3.09Å; H144-T146 VanDerWaalsContact O-N 3.08Å; T146-L153 PolarHBondContact O-N 3.09Å | ||
| 147 | V | 93.5 | Very high | 93.8 | Very high | 101 Ų | 101 | 65.7 Ų | 65.7 | 61% | 0.612 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.5 | 179.9 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | R151 V152 | V147-R151 CarbonylContact C-O 3.58Å; V147-R151 WeakPolarHBondContact CA-O 3.02Å; V147-V152 HydrophobicContact CG2-CG2 4.3Å |
| 148 | F | 92.9 | Very high | 93.7 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 7% | 0.066 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.4 | 176.6 | 174.8 | -90.6 | 0 | 0 | 0 | 109.3 | A94 E98 L99 H102 G150 R151 L153 | A94-F148 HydrophobicContact CB-CE1 3.76Å; A94-F148 HydrophobicContact CB-CZ 4.12Å; E98-F148 HydrophobicContact CB-CE2 4.05Å; E98-F148 HydrophobicContact CB-CZ 3.81Å; L99-F148 HydrophobicContact CD2-CE1 4.31Å; L99-F148 HydrophobicContact CD2-CE2 4.34Å; L99-F148 HydrophobicContact CD2-CZ 4.08Å; H102-F148 HydrophobicContact CB-CD2 4.39Å; H102-F148 HydrophobicContact CB-CE2 4.5Å; H102-F148 AromaticContact ND1-CD2 3.87Å; F148-G150 PolarHBondContact O-N 3.5Å; F148-R151 PolarHBondContact N-O 2.81Å; F148-R151 PolarHBondContact O-N 2.86Å; F148-R151 VanDerWaalsContact O-O 3.13Å; F148-L153 HydrophobicContact CB-CD1 3.62Å; F148-L153 HydrophobicContact CB-CD2 3.93Å; F148-L153 HydrophobicContact CB-CG 3.62Å; F148-L153 HydrophobicContact CD1-CD2 4.3Å; F148-L153 HydrophobicContact CG-CD1 4.16Å; F148-L153 HydrophobicContact CG-CD2 4.38Å; F148-L153 HydrophobicContact CG-CG 4.44Å |
| 149 | R | 90.4 | Very high | 93.3 | Very high | 115 Ų | 115 | 68 Ų | 68 | 43% | 0.434 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 38.3 | -178.5 | -67.8 | 177.7 | 51.3 | 151.7 | -10.9 | 113.8 | D91 G93 E98 | D91-R149 HydrophobicContact CB-CB 4.18Å; D91-R149 IonicContact OD2-CZ 2.78Å; D91-R149 IonicContact OD2-NE 3.29Å; D91-R149 PolarHBondContact OD2-NE 3.45Å; D91-R149 IonicContact OD2-NH2 3.11Å; D91-R149 PolarHBondContact OD2-NH2 3.35Å; G93-R149 VanDerWaalsContact O-CZ 3.23Å; G93-R149 PolarHBondContact O-NH1 3.43Å; G93-R149 PolarHBondContact O-NH2 2.84Å; E98-R149 IonicContact OE1-CZ 3.42Å; E98-R149 IonicContact OE1-NH1 3.29Å; E98-R149 PolarHBondContact OE1-NH1 3.17Å; E98-R149 VanDerWaalsContact OE2-CD 3.28Å; E98-R149 WeakPolarHBondContact OE2-CD 3.26Å; E98-R149 IonicContact OE2-CZ 3.8Å; E98-R149 IonicContact OE2-NE 2.64Å; E98-R149 IonicContact OE2-NH1 2.77Å; E98-R149 PolarHBondContact OE2-NH1 2.92Å |
| 150 | G | 91.5 | Very high | 92.7 | Very high | 72 Ų | 72 | 67 Ų | 67 | 74% | 0.742 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F148 | F148-G150 PolarHBondContact O-N 3.5Š|
| 151 | R | 93 | Very high | 91.6 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 26% | 0.26 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.5 | 175.4 | -57.8 | -172.9 | -169.8 | -166.4 | 2.7 | 111 | V90 D91 V147 F148 | V90-R151 PolarHBondContact O-NH1 2.99Å; D91-R151 IonicContact OD1-CZ 3.04Å; D91-R151 IonicContact OD1-NE 3.09Å; D91-R151 PolarHBondContact OD1-NE 3.16Å; D91-R151 VanDerWaalsContact OD1-NE 3.09Å; D91-R151 IonicContact OD1-NH1 3.95Å; D91-R151 IonicContact OD1-NH2 2.69Å; D91-R151 PolarHBondContact OD1-NH2 3.25Å; V147-R151 CarbonylContact C-O 3.58Å; V147-R151 WeakPolarHBondContact CA-O 3.02Å; F148-R151 PolarHBondContact N-O 2.81Å; F148-R151 PolarHBondContact O-N 2.86Å; F148-R151 VanDerWaalsContact O-O 3.13Å |
| 152 | V | 95.6 | Very high | 90.2 | Very high | 73 Ų | 73 | 75.8 Ų | 75.8 | 44% | 0.442 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119 | 174.2 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | N89 E145 V147 | N89-V152 PolarHBondContact ND2-O 3.41Å; E145-V152 HydrophobicContact CB-CG1 3.87Å; E145-V152 HydrophobicContact CG-CG1 4.16Å; V147-V152 HydrophobicContact CG2-CG2 4.3Å |
| 153 | L | 95.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | trans | -77 | 140.9 | 178.8 | -66.9 | -174.9 | 0 | 0 | 0 | 111.9 | V87 V90 F103 E145 T146 F148 | V87-L153 HydrophobicContact CG1-CB 4.46Å; V87-L153 HydrophobicContact CG1-CD1 4.16Å; V87-L153 HydrophobicContact CG1-CD2 4.13Å; V87-L153 HydrophobicContact CG1-CG 4.5Å; V90-L153 HydrophobicContact CG2-CD2 4.23Å; F103-L153 HydrophobicContact CE2-CD1 4.3Å; F103-L153 HydrophobicContact CZ-CD1 4.23Å; E145-L153 VanDerWaalsContact CA-O 3.29Å; E145-L153 WeakPolarHBondContact CA-O 3.02Å; E145-L153 PolarHBondContact N-O 3.36Å; T146-L153 PolarHBondContact O-N 3.09Å; F148-L153 HydrophobicContact CB-CD1 3.62Å; F148-L153 HydrophobicContact CB-CD2 3.93Å; F148-L153 HydrophobicContact CB-CG 3.62Å; F148-L153 HydrophobicContact CD1-CD2 4.3Å; F148-L153 HydrophobicContact CG-CD1 4.16Å; F148-L153 HydrophobicContact CG-CD2 4.38Å; F148-L153 HydrophobicContact CG-CG 4.44Å | ||
| 154 | K | 95.7 | Very high | 87.1 | Confident | 122 Ų | 122 | 81.3 Ų | 81.3 | 53% | 0.53 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 96.9 | 171.2 | -178.2 | 164.8 | -176.1 | 158.3 | 0 | 110.3 | G88 | G88-K154 PolarHBondContact N-O 2.66Å; G88-K154 PolarHBondContact O-N 2.96Å |
| 155 | V | 95.8 | Very high | 85.5 | Confident | 4 Ų | 4 | 81.5 Ų | 81.5 | 2% | 0.024 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 135.1 | 174.7 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | I85 Y86 F103 A140 H144 | I85-V155 HydrophobicContact CB-CG1 4.17Å; I85-V155 HydrophobicContact CD1-CG1 3.98Å; I85-V155 HydrophobicContact CG2-CG1 4.18Å; Y86-V155 WeakPolarHBondContact O-CA 3.25Å; F103-V155 HydrophobicContact CE1-CG2 3.92Å; F103-V155 HydrophobicContact CZ-CG2 3.72Å; A140-V155 WeakPolarHBondContact O-CG1 3.19Å; H144-V155 HydrophobicContact CB-CB 4.49Å |
| 156 | L | 95 | Very high | 83.7 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 41% | 0.414 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 157.5 | 172.4 | -67.7 | 175.3 | 0 | 0 | 0 | 109 | I85 Y86 | I85-L156 CarbonylContact C-O 3.58Å; I85-L156 WeakPolarHBondContact CA-O 3.27Å; Y86-L156 HydrophobicContact CD1-CB 4.16Å; Y86-L156 HydrophobicContact CD1-CD1 4.35Å; Y86-L156 PolarHBondContact N-O 2.88Å; Y86-L156 PolarHBondContact O-N 3.42Å |
| 157 | P | 93.8 | Very high | 82 | Confident | 68 Ų | 68 | 80 Ų | 80 | 44% | 0.442 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 144.2 | 165.9 | 27.5 | -33 | 0 | 0 | 0 | 110.2 | V137 I141 | V137-P157 HydrophobicContact CG1-CB 4.28Å; I141-P157 HydrophobicContact CD1-CB 4.2Å; I141-P157 HydrophobicContact CD1-CG 4.17Å |
| 158 | K | 92.9 | Very high | 80.2 | Confident | 49 Ų | 49 | 79.1 Ų | 79.1 | 21% | 0.213 | 45% | 0.45 | C | S | . | . | trans | -66 | 149.5 | 174.8 | -169.6 | 179 | -178.4 | -164.7 | 0 | 109.5 | D81 S84 Y128 | D81-K158 HydrophobicContact CB-CD 4.43Å; D81-K158 WeakPolarHBondContact OD1-CE 3.34Å; D81-K158 IonicContact OD1-NZ 2.81Å; D81-K158 PolarHBondContact OD1-NZ 2.81Å; S84-K158 VanDerWaalsContact O-CB 3.29Å; S84-K158 WeakPolarHBondContact O-CB 3.21Å; S84-K158 PolarHBondContact O-N 3.11Å; S84-K158 PolarHBondContact OG-NZ 2.88Å; Y128-K158 HydrophobicContact CD1-CD 3.81Å; Y128-K158 HydrophobicContact CD1-CG 3.81Å; Y128-K158 HydrophobicContact CE1-CD 4.31Å; Y128-K158 HydrophobicContact CE1-CG 3.9Å; Y128-K158 HydrophobicContact CG-CD 4.38Å | ||
| 159 | R | 85.8 | Confident | 78.4 | Confident | 147 Ų | 147 | 85 Ų | 85 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | trans | -104.4 | 120.8 | 178.2 | -59.3 | 178.7 | 86.4 | -145.9 | 13 | 108.9 | N161 T167 | R159-N161 PolarHBondContact O-N 3.26Å; R159-T167 VanDerWaalsContact CZ-OG1 3.26Å; R159-T167 PolarHBondContact NH1-O 3.01Å; R159-T167 PolarHBondContact NH1-OG1 3.01Å; R159-T167 PolarHBondContact NH2-O 3.32Å; R159-T167 PolarHBondContact NH2-OG1 3.36Å | ||
| 160 | T | 81.2 | Confident | 76.6 | Confident | 46 Ų | 46 | 90.2 Ų | 90.2 | 28% | 0.282 | 50% | 0.502 | S | S | . | . | trans | -58.9 | 123.1 | 172.1 | 44 | 0 | 0 | 0 | 0 | 110.5 | I78 D81 M162 | I78-T160 HydrophobicContact CG2-CG2 4.26Å; D81-T160 HydrophobicContact CB-CG2 3.51Å; D81-T160 WeakPolarHBondContact OD2-CA 3.4Å; T160-M162 VanDerWaalsContact C-N 3.34Å; T160-M162 PolarHBondContact O-N 3.01Å; T160-M162 VanDerWaalsContact O-N 3.16Å | ||
| 161 | N | 70.9 | Confident | 74.5 | Confident | 143 Ų | 143 | 89.7 Ų | 89.7 | 77% | 0.765 | 50% | 0.496 | S | S | * | . | trans | -87.7 | 73.1 | 174.8 | -76 | -66.6 | 0 | 0 | 0 | 110.2 | R159 P163 | R159-N161 PolarHBondContact O-N 3.26Å; N161-P163 WeakPolarHBondContact O-CD 3.38Å | ||
| 162 | M | 64.4 | Low | 72.2 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | trans | -66.2 | 121.6 | 174 | -66 | -152 | -60.7 | 0 | 0 | 110.5 | T160 G164 I165 | T160-M162 VanDerWaalsContact C-N 3.34Å; T160-M162 PolarHBondContact O-N 3.01Å; T160-M162 VanDerWaalsContact O-N 3.16Å; M162-G164 PolarHBondContact O-N 2.84Å; M162-I165 HydrophobicContact CE-CD1 4.43Å; M162-I165 PolarHBondContact O-N 2.96Å | ||
| 163 | P | 58.5 | Low | 70 | Confident | 131 Ų | 131 | 95.3 Ų | 95.3 | 85% | 0.851 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 131.1 | -179.4 | 26.1 | -33.6 | 0 | 0 | 0 | 110.5 | N161 | N161-P163 WeakPolarHBondContact O-CD 3.38Š|
| 164 | G | 62 | Low | 67.7 | Low | 86 Ų | 86 | 106.4 Ų | 106.4 | 89% | 0.887 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.7 | -16 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | M162 | M162-G164 PolarHBondContact O-N 2.84Š|
| 165 | I | 59.5 | Low | 65.6 | Low | 111 Ų | 111 | 104.1 Ų | 104.1 | 57% | 0.569 | 59% | 0.591 | S | S | * | * | trans | -121.2 | 79.8 | 176.7 | -54 | -179.7 | 0 | 0 | 0 | 109.8 | M162 T167 | M162-I165 HydrophobicContact CE-CD1 4.43Å; M162-I165 PolarHBondContact O-N 2.96Å; I165-T167 HydrophobicContact CG2-CG2 4.36Å; I165-T167 PolarHBondContact O-N 2.83Å | ||
| 166 | S | 56.6 | Low | 63.1 | Low | 67 Ų | 67 | 107 Ų | 107 | 47% | 0.469 | 62% | 0.622 | S | S | . | * | trans | -72.3 | 96.8 | 174.3 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | T168 D169 | S166-T168 PolarHBondContact O-N 2.97Å; S166-T168 WeakPolarHBondContact OG-CB 3.47Å; S166-T168 PolarHBondContact OG-N 2.82Å; S166-D169 PolarHBondContact O-N 3.45Å | ||
| 167 | T | 56.6 | Low | 61 | Low | 82 Ų | 82 | 111.9 Ų | 111.9 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.2 | 24.2 | 167.7 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | R159 I165 | R159-T167 VanDerWaalsContact CZ-OG1 3.26Å; R159-T167 PolarHBondContact NH1-O 3.01Å; R159-T167 PolarHBondContact NH1-OG1 3.01Å; R159-T167 PolarHBondContact NH2-O 3.32Å; R159-T167 PolarHBondContact NH2-OG1 3.36Å; I165-T167 HydrophobicContact CG2-CG2 4.36Å; I165-T167 PolarHBondContact O-N 2.83Å |
| 168 | T | 57.4 | Low | 58.7 | Low | 83 Ų | 83 | 115 Ų | 115 | 51% | 0.509 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.6 | -1 | 164.8 | -46 | 0 | 0 | 0 | 0 | 111.3 | S166 R170 | S166-T168 PolarHBondContact O-N 2.97Å; S166-T168 WeakPolarHBondContact OG-CB 3.47Å; S166-T168 PolarHBondContact OG-N 2.82Å; T168-R170 PolarHBondContact O-N 3.45Å |
| 169 | D | 54.2 | Low | 56.7 | Low | 139 Ų | 139 | 124.2 Ų | 124.2 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | -64.9 | 76 | 162 | -80.2 | -52.4 | 0 | 0 | 0 | 110.8 | S166 G171 | S166-D169 PolarHBondContact O-N 3.45Å; D169-G171 VanDerWaalsContact C-N 3.26Å; D169-G171 PolarHBondContact O-N 3.12Å | ||
| 170 | R | 52.4 | Low | 54.6 | Low | 224 Ų | 224 | 120.1 Ų | 120.1 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | trans | -69.1 | 74.8 | -178.3 | -70.8 | 178.4 | 178.9 | 147.4 | -2.7 | 111.8 | T168 G172 | T168-R170 PolarHBondContact O-N 3.45Å; R170-G172 PolarHBondContact O-N 2.8Å | ||
| 171 | G | 47.4 | Very low | 53.1 | Low | 61 Ų | 61 | 130.1 Ų | 130.1 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | trans | 55 | 33.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D169 H173 | D169-G171 VanDerWaalsContact C-N 3.26Å; D169-G171 PolarHBondContact O-N 3.12Å; G171-H173 PolarHBondContact O-N 3.05Å | ||
| 172 | G | 44.4 | Very low | 51.6 | Low | 67 Ų | 67 | 126.7 Ų | 126.7 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | -71.1 | 51.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | R170 R174 | R170-G172 PolarHBondContact O-N 2.8Å; G172-R174 PolarHBondContact O-N 2.77Å | ||
| 173 | H | 49.3 | Very low | 50.7 | Low | 192 Ų | 192 | 134 Ų | 134 | 89% | 0.889 | 75% | 0.75 | S | S | * | * | trans | -70.6 | 46.2 | 173.9 | -74.3 | 82.2 | 0 | 0 | 0 | 112.9 | G171 G175 | G171-H173 PolarHBondContact O-N 3.05Å; H173-G175 PolarHBondContact O-N 3.25Å | ||
| 174 | R | 47.3 | Very low | 49.7 | Very low | 235 Ų | 235 | 131.4 Ų | 131.4 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -72.3 | 107.7 | 161.7 | -80.5 | -174.2 | 170.2 | 179.1 | -2.1 | 107.5 | G172 G176 | G172-R174 PolarHBondContact O-N 2.77Å; R174-G176 PolarHBondContact O-N 3.45Å | ||
| 175 | G | 51.4 | Low | 48.5 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | -58.4 | 94.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H173 H177 | H173-G175 PolarHBondContact O-N 3.25Å; G175-H177 PolarHBondContact O-N 2.76Å | ||
| 176 | G | 44.3 | Very low | 47.9 | Very low | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | -79 | 110.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | R174 T178 | R174-G176 PolarHBondContact O-N 3.45Å; G176-T178 VanDerWaalsContact C-N 3.27Å; G176-T178 PolarHBondContact O-N 2.78Å | ||
| 177 | H | 51.1 | Low | 47.1 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | trans | -72 | 78.3 | 177.6 | -70.7 | -69.7 | 0 | 0 | 0 | 111.8 | G175 R179 | G175-H177 PolarHBondContact O-N 2.76Å; H177-R179 PolarHBondContact O-N 3.24Å | ||
| 178 | T | 44.3 | Very low | 46.6 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -60.5 | 104.9 | 166.9 | -59.1 | 0 | 0 | 0 | 0 | 108.7 | G176 G180 | G176-T178 VanDerWaalsContact C-N 3.27Å; G176-T178 PolarHBondContact O-N 2.78Å; T178-G180 PolarHBondContact O-N 2.95Å | ||
| 179 | R | 51.1 | Low | 45.7 | Very low | 242 Ų | 242 | 153.9 Ų | 153.9 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -73.7 | 58.4 | 179.5 | -70.5 | 178.2 | 171.9 | 166 | -3.1 | 111.6 | H177 R181 | H177-R179 PolarHBondContact O-N 3.24Å; R179-R181 PolarHBondContact O-N 2.84Å | ||
| 180 | G | 42.1 | Very low | 45 | Very low | 61 Ų | 61 | 158 Ų | 158 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | trans | -70 | 120.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T178 G182 | T178-G180 PolarHBondContact O-N 2.95Å; G180-G182 VanDerWaalsContact C-N 3.33Å; G180-G182 PolarHBondContact O-N 2.84Å | ||
| 181 | R | 49.7 | Very low | 44.5 | Very low | 256 Ų | 256 | 156.3 Ų | 156.3 | 97% | 0.966 | 81% | 0.805 | S | S | * | * | trans | -72.9 | 81.1 | 173.7 | -73.5 | 179.3 | 168.2 | -176 | -3.1 | 111.1 | R179 | R179-R181 PolarHBondContact O-N 2.84Š| ||
| 182 | G | 40.4 | Very low | 43.8 | Very low | 71 Ų | 71 | 160.5 Ų | 160.5 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | -87.7 | 115.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | G180 G184 | G180-G182 VanDerWaalsContact C-N 3.33Å; G180-G182 PolarHBondContact O-N 2.84Å; G182-G184 PolarHBondContact O-N 3.47Å; G182-G184 VanDerWaalsContact O-N 3.13Å | ||
| 183 | R | 44.9 | Very low | 43.4 | Very low | 253 Ų | 253 | 161.6 Ų | 161.6 | 96% | 0.955 | 81% | 0.811 | S | S | * | * | trans | -72.8 | 102.6 | 172.9 | -72.8 | -172 | 179.1 | -144 | 3.7 | 109.8 | Y185 | R183-Y185 PolarHBondContact O-N 2.8Š| ||
| 184 | G | 36.9 | Very low | 43 | Very low | 76 Ų | 76 | 157.2 Ų | 157.2 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -64.6 | 101.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G182 R186 | G182-G184 PolarHBondContact O-N 3.47Å; G182-G184 VanDerWaalsContact O-N 3.13Å; G184-R186 PolarHBondContact O-N 3.43Å | ||
| 185 | Y | 37.7 | Very low | 42.8 | Very low | 220 Ų | 220 | 158.1 Ų | 158.1 | 86% | 0.863 | 81% | 0.805 | S | S | * | * | trans | -65.6 | 110.1 | 171.5 | -160.5 | -90.9 | 0 | 0 | 0 | 108.6 | R183 P187 | R183-Y185 PolarHBondContact O-N 2.8Å; Y185-P187 WeakPolarHBondContact O-CD 3.2Å | ||
| 186 | R | 46.8 | Very low | 42 | Very low | 231 Ų | 231 | 158.3 Ų | 158.3 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -93.7 | 102.4 | -175.1 | -174 | -178.3 | -173.6 | -175.8 | 2.6 | 109.3 | G184 | G184-R186 PolarHBondContact O-N 3.43Š| ||
| 187 | P | 40.1 | Very low | 41.8 | Very low | 93 Ų | 93 | 165.7 Ų | 165.7 | 60% | 0.604 | 81% | 0.814 | S | S | * | * | trans | -63.1 | 140.5 | 178.9 | 26.2 | -34.5 | 0 | 0 | 0 | 110.6 | Y185 R189 | Y185-P187 WeakPolarHBondContact O-CD 3.2Å; P187-R189 PolarHBondContact O-N 2.96Å | ||
| 188 | P | 44.5 | Very low | 41.1 | Very low | 110 Ų | 110 | 165 Ų | 165 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | trans | -62.1 | 119.6 | 174.6 | -21.1 | 32.8 | 0 | 0 | 0 | 110.4 | Y190 | P188-Y190 PolarHBondContact O-N 3.26Š| ||
| 189 | R | 40 | Very low | 40.8 | Very low | 247 Ų | 247 | 168.8 Ų | 168.8 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | trans | -75.3 | 95.7 | 168.5 | -76.6 | -167.4 | 176.4 | -165.9 | -1.6 | 108.7 | P187 | P187-R189 PolarHBondContact O-N 2.96Š| ||
| 190 | Y | 38.5 | Very low | 40.1 | Very low | 226 Ų | 226 | 167.3 Ų | 167.3 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -58 | 146.1 | 165.1 | -98.6 | -93.3 | 0 | 0 | 0 | 110.6 | P188 | P188-Y190 PolarHBondContact O-N 3.26Š| ||
| 191 | Q | 41.2 | Very low | 40.1 | Very low | 187 Ų | 187 | 172.8 Ų | 172.8 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -112.3 | 106.5 | -160.4 | 174 | 178.5 | -16.8 | 0 | 0 | 110.4 | ||||
| 192 | N | 33.7 | Very low | 39.5 | Very low | 150 Ų | 150 | 165.9 Ų | 165.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -153.2 | 144.3 | 156.4 | -150.3 | -14.5 | 0 | 0 | 0 | 114.2 | ||||
| 193 | S | 35.2 | Very low | 39.5 | Very low | 90 Ų | 90 | 168.1 Ų | 168.1 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | trans | 59.7 | 112.9 | 149.6 | -83.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 194 | S | 41.2 | Very low | 39.4 | Very low | 99 Ų | 99 | 167.3 Ų | 167.3 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | 70.3 | 77.5 | 113.8 | -52.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 195 | R | 43 | Very low | 39.7 | Very low | 255 Ų | 255 | 169.5 Ų | 169.5 | 96% | 0.962 | 81% | 0.806 | S | S | * | * | -167 | 97.8 | 124.6 | -96.8 | 143.9 | -164.5 | -160.4 | 5.3 | 110 | |||||
| 196 | G | 35.3 | Very low | 40.2 | Very low | 77 Ų | 77 | 167.2 Ų | 167.2 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -86.6 | 141.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 197 | R | 40.1 | Very low | 40 | Very low | 220 Ų | 220 | 165 Ų | 165 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -139.3 | 119.1 | 151.1 | -84.4 | -158.1 | 177.4 | -104 | 0.9 | 110.8 | ||||
| 198 | F | 35.6 | Very low | 40.2 | Very low | 166 Ų | 166 | 169.3 Ų | 169.3 | 73% | 0.728 | 82% | 0.815 | S | S | * | * | trans | 39.9 | 111.6 | 148.4 | -60.6 | -83.3 | 0 | 0 | 0 | 119.5 | ||||
| 199 | R | 37.8 | Very low | 40.4 | Very low | 214 Ų | 214 | 169.4 Ų | 169.4 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | -61.4 | 137.4 | 145.6 | -69.2 | -179.1 | 176.7 | -172.8 | 0.1 | 108.8 | ||||
| 200 | Y | 38 | Very low | 41 | Very low | 212 Ų | 212 | 163.7 Ų | 163.7 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -115.4 | 135.3 | 139.1 | -95.4 | -91.1 | 0 | 0 | 0 | 107.9 | S202 | Y200-S202 PolarHBondContact O-N 3.17Š| ||
| 201 | Q | 40.7 | Very low | 41.7 | Very low | 175 Ų | 175 | 160.9 Ų | 160.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -87.6 | 103.6 | 171.3 | -76.8 | 164.6 | -90.1 | 0 | 0 | 108.1 | ||||
| 202 | S | 37.2 | Very low | 42.3 | Very low | 111 Ų | 111 | 156.7 Ų | 156.7 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -108.6 | 121.9 | 166.4 | 50.2 | 0 | 0 | 0 | 0 | 109.1 | Y200 R204 | Y200-S202 PolarHBondContact O-N 3.17Å; S202-R204 PolarHBondContact O-N 3.02Å | ||
| 203 | S | 41.9 | Very low | 43.1 | Very low | 119 Ų | 119 | 159.8 Ų | 159.8 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.1 | -173.1 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | P205 | S203-P205 VanDerWaalsContact O-CD 3.29Å; S203-P205 WeakPolarHBondContact O-CD 3.29Å |
| 204 | R | 40.9 | Very low | 43.5 | Very low | 236 Ų | 236 | 167 Ų | 167 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 117.5 | 172.1 | -171.6 | -179.6 | -168.5 | 172.4 | 2.7 | 108.9 | S202 Q206 | S202-R204 PolarHBondContact O-N 3.02Å; R204-Q206 PolarHBondContact O-N 3.13Å |
| 205 | P | 43.9 | Very low | 43.5 | Very low | 121 Ų | 121 | 166.4 Ų | 166.4 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 131.2 | 178.8 | -23.9 | 35.2 | 0 | 0 | 0 | 110.9 | S203 | S203-P205 VanDerWaalsContact O-CD 3.29Å; S203-P205 WeakPolarHBondContact O-CD 3.29Å |
| 206 | Q | 48.1 | Very low | 43.3 | Very low | 173 Ų | 173 | 157.5 Ų | 157.5 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 139.3 | 170.5 | -74.3 | -76.2 | 24.1 | 0 | 0 | 109.5 | R204 Q208 | R204-Q206 PolarHBondContact O-N 3.13Å; Q206-Q208 PolarHBondContact O-N 3.36Å; Q206-Q208 VanDerWaalsContact O-N 3.16Å |
| 207 | H | 42.4 | Very low | 43.8 | Very low | 184 Ų | 184 | 160.2 Ų | 160.2 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | trans | -62.7 | 115.5 | 163 | -98.8 | -103.5 | 0 | 0 | 0 | 108.4 | ||||
| 208 | Q | 44.7 | Very low | 44.3 | Very low | 184 Ų | 184 | 155.8 Ų | 155.8 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 124 | 170.8 | -72 | 179.1 | -14.6 | 0 | 0 | 109.2 | Q206 | Q206-Q208 PolarHBondContact O-N 3.36Å; Q206-Q208 VanDerWaalsContact O-N 3.16Å |
| 209 | S | 48.4 | Very low | 44.9 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 137.9 | 169.5 | -56.7 | 0 | 0 | 0 | 0 | 110 | H211 | S209-H211 PolarHBondContact O-N 3.46Š|
| 210 | P | 53.8 | Low | 45.1 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 132 | 174.2 | -25.1 | 34.9 | 0 | 0 | 0 | 111.8 | ||
| 211 | H | 52.2 | Low | 45.6 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 136.6 | 179.9 | -167 | -80 | 0 | 0 | 0 | 111 | S209 Y213 | S209-H211 PolarHBondContact O-N 3.46Å; H211-Y213 PolarHBondContact O-N 3.48Å |
| 212 | P | 54.8 | Low | 45.7 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 65% | 0.649 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -74.7 | 110.3 | 177.1 | 29.7 | -33.8 | 0 | 0 | 0 | 110.9 | ||
| 213 | Y | 50.7 | Low | 45.9 | Very low | 214 Ų | 214 | 151.5 Ų | 151.5 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | -162.3 | 31.6 | 149.3 | -125.5 | -78.2 | 0 | 0 | 0 | 115.6 | H211 | H211-Y213 PolarHBondContact O-N 3.48Š| ||
| 214 | Y | 43.5 | Very low | 45.8 | Very low | 243 Ų | 243 | 157.9 Ų | 157.9 | 95% | 0.953 | 83% | 0.831 | S | S | * | * | trans | -140.6 | 113 | 162 | -100.7 | -79.8 | 0 | 0 | 0 | 109.7 | ||||
| 215 | G | 39.5 | Very low | 45.8 | Very low | 86 Ų | 86 | 149.4 Ų | 149.4 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -106.2 | 129.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 216 | G | 39.5 | Very low | 46.1 | Very low | 68 Ų | 68 | 151 Ų | 151 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -147.3 | 139.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 217 | P | 46 | Very low | 45.7 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | trans | -79.3 | 136.3 | -154.8 | 28.5 | -35.5 | 0 | 0 | 0 | 115.3 | ||||
| 218 | S | 50.5 | Low | 45.5 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -67.8 | 133.4 | 166.3 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 219 | A | 48.4 | Very low | 45.6 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -145.8 | 141.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 220 | G | 42.8 | Very low | 45.1 | Very low | 66 Ų | 66 | 151.8 Ų | 151.8 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | 78.3 | 80.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | R222 | G220-R222 PolarHBondContact O-N 3.04Å; G220-R222 VanDerWaalsContact O-N 3.14Å | ||
| 221 | K | 47.4 | Very low | 44.3 | Very low | 212 Ų | 212 | 152.5 Ų | 152.5 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -60.6 | 111.7 | 145.8 | -70.4 | -178.8 | -178.5 | 177 | 0 | 107.2 | Q223 | K221-Q223 PolarHBondContact O-N 2.85Š| ||
| 222 | R | 43.1 | Very low | 44.3 | Very low | 233 Ų | 233 | 153.4 Ų | 153.4 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -76.1 | 97.1 | 175 | -62.9 | -173.6 | -163.3 | -95.8 | -0.2 | 109.2 | G220 | G220-R222 PolarHBondContact O-N 3.04Å; G220-R222 VanDerWaalsContact O-N 3.14Å | ||
| 223 | Q | 41.7 | Very low | 43.6 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 138.2 | 158.2 | 69.9 | -168.5 | 35.4 | 0 | 0 | 108.3 | K221 G225 | K221-Q223 PolarHBondContact O-N 2.85Å; Q223-G225 PolarHBondContact O-N 3.21Å |
| 224 | W | 40.2 | Very low | 43.7 | Very low | 253 Ų | 253 | 150.7 Ų | 150.7 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 117.5 | 167.7 | -77.6 | 74.5 | 0 | 0 | 0 | 107.1 | H226 | W224-H226 PolarHBondContact O-N 3.05Š|
| 225 | G | 40.7 | Very low | 43.8 | Very low | 57 Ų | 57 | 147.9 Ų | 147.9 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 130.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q223 M227 | Q223-G225 PolarHBondContact O-N 3.21Å; G225-M227 PolarHBondContact O-N 3.06Å |
| 226 | H | 49.4 | Very low | 43.8 | Very low | 155 Ų | 155 | 155 Ų | 155 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 131.4 | 144.9 | -163.6 | -99 | 0 | 0 | 0 | 107.2 | W224 D228 | W224-H226 PolarHBondContact O-N 3.05Å; H226-D228 IonicContact CE1-OD1 3.04Å; H226-D228 PolarHBondContact CE1-OD1 3.41Å; H226-D228 IonicContact ND1-OD1 2.85Å; H226-D228 PolarHBondContact ND1-OD1 3.48Å; H226-D228 IonicContact ND1-OD2 3.69Å |
| 227 | M | 40.5 | Very low | 44.3 | Very low | 169 Ų | 169 | 161.8 Ų | 161.8 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | -124.2 | 112.4 | 171.3 | -89.7 | -92.4 | 70.5 | 0 | 0 | 107.2 | G225 | G225-M227 PolarHBondContact O-N 3.06Š| ||
| 228 | D | 38.5 | Very low | 44.7 | Very low | 109 Ų | 109 | 161.5 Ų | 161.5 | 58% | 0.583 | 80% | 0.8 | S | S | * | * | trans | -71.9 | 145.4 | -169.8 | -54 | -86.7 | 0 | 0 | 0 | 112 | H226 H230 | H226-D228 IonicContact CE1-OD1 3.04Å; H226-D228 PolarHBondContact CE1-OD1 3.41Å; H226-D228 IonicContact ND1-OD1 2.85Å; H226-D228 PolarHBondContact ND1-OD1 3.48Å; H226-D228 IonicContact ND1-OD2 3.69Å; D228-H230 PolarHBondContact O-N 3.14Å | ||
| 229 | Y | 45 | Very low | 44.1 | Very low | 236 Ų | 236 | 161 Ų | 161 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -78.6 | 103.7 | 179 | -129.5 | -99.2 | 0 | 0 | 0 | 109.2 | ||||
| 230 | H | 38.2 | Very low | 44.4 | Very low | 155 Ų | 155 | 164 Ų | 164 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -135.2 | 113.9 | 166.9 | -103.4 | -83.5 | 0 | 0 | 0 | 113.2 | D228 | D228-H230 PolarHBondContact O-N 3.14Š| ||
| 231 | E | 38.7 | Very low | 44.7 | Very low | 142 Ų | 142 | 168.6 Ų | 168.6 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | 46.7 | 109.7 | 139.2 | -66.7 | 173.3 | 132.2 | 0 | 0 | 121.2 | ||||
| 232 | Q | 51.9 | Low | 44.7 | Very low | 185 Ų | 185 | 166.7 Ų | 166.7 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | 42.6 | 86.1 | 116.9 | -57.4 | -176.5 | 20.9 | 0 | 0 | 117.5 | |||||
| 233 | T | 39.7 | Very low | 44.8 | Very low | 120 Ų | 120 | 163.2 Ų | 163.2 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -123.8 | 126.4 | 149.3 | 48.1 | 0 | 0 | 0 | 0 | 110.5 | K235 | T233-K235 PolarHBondContact O-N 3.36Š| ||
| 234 | T | 52.5 | Low | 45.4 | Very low | 138 Ų | 138 | 160.8 Ų | 160.8 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -80.5 | 102.1 | -170.2 | 40.4 | 0 | 0 | 0 | 0 | 112 | R236 | T234-R236 PolarHBondContact O-N 3.16Š| ||
| 235 | K | 46.1 | Very low | 46.5 | Very low | 183 Ų | 183 | 153.5 Ų | 153.5 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -91.5 | 101.3 | 172.8 | -67.7 | -172.2 | 179 | 179.4 | 0 | 110.3 | T233 | T233-K235 PolarHBondContact O-N 3.36Š| ||
| 236 | R | 39.1 | Very low | 47.2 | Very low | 237 Ų | 237 | 156.7 Ų | 156.7 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -62.7 | 132.3 | 177 | -62.9 | 179.1 | 177.3 | -173.9 | -2.3 | 110.5 | T234 | T234-R236 PolarHBondContact O-N 3.16Š| ||
| 237 | Y | 50.9 | Low | 47.6 | Very low | 209 Ų | 209 | 155.1 Ų | 155.1 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | trans | -76.2 | 133.3 | 161.8 | -61 | -84.2 | 0 | 0 | 0 | 109.2 | C239 | Y237-C239 PolarHBondContact O-N 3.23Å; Y237-C239 VanDerWaalsContact O-N 3.12Å | ||
| 238 | P | 53.4 | Low | 48.7 | Very low | 128 Ų | 128 | 155.9 Ų | 155.9 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -78.4 | 89.2 | 168.4 | 31.3 | -31.7 | 0 | 0 | 0 | 109.3 | L240 | P238-L240 PolarHBondContact O-N 3.38Š| ||
| 239 | C | 38.9 | Very low | 49.3 | Very low | 116 Ų | 116 | 157.7 Ų | 157.7 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -69.7 | 125.5 | 173.7 | -55.7 | 0 | 0 | 0 | 0 | 110.2 | Y237 | Y237-C239 PolarHBondContact O-N 3.23Å; Y237-C239 VanDerWaalsContact O-N 3.12Å | ||
| 240 | L | 52.9 | Low | 49.4 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -86.4 | 170.6 | 162.4 | -89.1 | 170.1 | 0 | 0 | 0 | 110.6 | P238 | P238-L240 PolarHBondContact O-N 3.38Š| ||
| 241 | L | 50.5 | Low | 49.2 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | 73.4 | 92.7 | 177.8 | -60.9 | 160.4 | 0 | 0 | 0 | 114.8 | ||||
| 242 | L | 47.4 | Very low | 49.4 | Very low | 172 Ų | 172 | 149 Ų | 149 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | trans | -65.5 | 133.5 | 153.9 | -71.1 | 167.3 | 0 | 0 | 0 | 108.8 | ||||
| 243 | I | 45.7 | Very low | 48.9 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | trans | -84.8 | 115.6 | 170.7 | -61.6 | 169 | 0 | 0 | 0 | 107.9 | ||||
| 244 | T | 53.5 | Low | 49.2 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -102.7 | 107.2 | 166 | 51.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 245 | P | 62 | Low | 48.9 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 65% | 0.649 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 143.2 | 173.4 | 30.5 | -33.6 | 0 | 0 | 0 | 110.1 | ||
| 246 | P | 56.4 | Low | 48.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 125.5 | 165.2 | 30.7 | -31.2 | 0 | 0 | 0 | 109.2 | ||
| 247 | S | 58.4 | Low | 49.2 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 125.2 | 170.8 | -52 | 0 | 0 | 0 | 0 | 110.1 | ||
| 248 | E | 62.4 | Low | 49.1 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 134.6 | 158.6 | -59.7 | -177.1 | 125.5 | 0 | 0 | 108.7 | ||
| 249 | D | 52.1 | Low | 48.3 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | trans | -163.2 | 107.5 | 147.4 | -114.4 | -23.5 | 0 | 0 | 0 | 113.1 | ||||
| 250 | L | 46.3 | Very low | 49.3 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | 47.6 | 122.5 | 136.4 | -59.4 | 175.1 | 0 | 0 | 0 | 122.7 | ||||
| 251 | G | 35 | Very low | 49.1 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 126.3 | 135.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 252 | A | 42.8 | Very low | 48.8 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | cis | -154.9 | 171.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 253 | A | 40.8 | Very low | 48.6 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | -68.4 | 151.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 254 | S | 45.5 | Very low | 48.8 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -163.9 | 125.8 | 131.3 | 25.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 255 | S | 46.4 | Very low | 48.5 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -5.4 | 135.4 | 151.7 | 53.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 256 | G | 41 | Very low | 47.8 | Very low | 81 Ų | 81 | 146.6 Ų | 146.6 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | -168.2 | 67.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 257 | Q | 50.9 | Low | 47.3 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | trans | -75.4 | 115.9 | 168.9 | -81.9 | -92.8 | 4.9 | 0 | 0 | 110.4 | ||||
| 258 | H | 48.6 | Very low | 46.6 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | trans | -161.1 | 117.8 | 151.8 | -122.7 | -64.4 | 0 | 0 | 0 | 114.3 | ||||
| 259 | Y | 37.6 | Very low | 45.5 | Very low | 195 Ų | 195 | 147.2 Ų | 147.2 | 77% | 0.765 | 83% | 0.829 | S | S | * | * | trans | -90.9 | 174.8 | 154.8 | -80.2 | -86.7 | 0 | 0 | 0 | 109 | ||||
| 260 | P | 60.2 | Low | 45 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 63% | 0.63 | 83% | 0.832 | S | S | * | * | cis | -135.9 | -170.2 | -16.7 | 30.2 | -7.1 | 0 | 0 | 0 | 114.1 | ||||
| 261 | Q | 46.8 | Very low | 44.9 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 74% | 0.738 | 83% | 0.829 | S | S | * | * | trans | 72.2 | 132.7 | 136.7 | -89.8 | 166.7 | -3.5 | 0 | 0 | 123.2 | ||||
| 262 | Q | 45.3 | Very low | 45.8 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | 69.1 | 148.3 | 152.6 | -61.8 | 174.3 | 11.2 | 0 | 0 | 116.3 | ||||
| 263 | R | 43.4 | Very low | 46 | Very low | 310 Ų | 310 | 155.5 Ų | 155.5 | 100% | 1.17 | 83% | 0.826 | S | S | * | * | cis | -141.9 | 0 | 13.2 | -169.4 | -178 | -172.8 | -142.4 | 4.9 | 111.8 |
Retrieved 263 of 263 residues in 34.7 ms
(Link to these results)