| 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 | 37.1 | Very low | 43.1 | Very low | 231 Ų | 231 | 147.5 Ų | 147.5 | 100% | 1.138 | 81% | 0.812 | S | S | * | * | 0 | 140.8 | 0 | -71.2 | -51.1 | -162.6 | 0 | 0 | 109 | |||||
| 2 | P | 54.7 | Low | 42.7 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | cis | -74.9 | -122.5 | -17.5 | 9.7 | 9 | 0 | 0 | 0 | 108.3 | ||||
| 3 | T | 44.5 | Very low | 42.9 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 68% | 0.681 | 80% | 0.804 | S | S | * | * | cis | -172.7 | 131.1 | -6.6 | 1 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 4 | E | 49.2 | Very low | 42.7 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | cis | -142.6 | -143.7 | -20.9 | -62.5 | -162.2 | 74.3 | 0 | 0 | 108.1 | ||||
| 5 | M | 46 | Very low | 42.6 | Very low | 165 Ų | 165 | 144 Ų | 144 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -146.7 | -178.4 | 176.2 | -79.7 | 172.6 | 47.5 | 0 | 0 | 110.1 | ||||
| 6 | L | 43.1 | Very low | 42.6 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 79.9 | 154.6 | 168.9 | -46.8 | 176.2 | 0 | 0 | 0 | 114.5 | ||||
| 7 | Q | 37.7 | Very low | 42.4 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | cis | -140.8 | 163.6 | 7.9 | -147.3 | 148.5 | 30.2 | 0 | 0 | 112.7 | ||||
| 8 | S | 44.2 | Very low | 42.3 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -99.8 | -176.5 | -177.3 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 9 | E | 35.2 | Very low | 41.8 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | 89.1 | 147.2 | 177.7 | -54.9 | -169.1 | 75.1 | 0 | 0 | 115.9 | ||||
| 10 | G | 36.7 | Very low | 41.6 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | cis | -145 | 170.5 | 7.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 11 | V | 45.3 | Very low | 41.5 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | -67.5 | 128.8 | -175.8 | 165.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 12 | G | 38.7 | Very low | 41.8 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -112.1 | 5.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 13 | K | 45.6 | Very low | 40.9 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 67 | 110.9 | 175.1 | -54.7 | 169 | -176 | 171.1 | 0 | 116.8 | V15 | K13-V15 PolarHBondContact O-N 3.34Š| ||
| 14 | D | 40 | Very low | 40.9 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -57.7 | 128 | 157.3 | -59.4 | -91.8 | 0 | 0 | 0 | 111.2 | ||||
| 15 | V | 41 | Very low | 40.8 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -120.6 | 96.2 | 163 | 177.9 | 0 | 0 | 0 | 0 | 108 | K13 L17 | K13-V15 PolarHBondContact O-N 3.34Å; V15-L17 PolarHBondContact O-N 3.2Å; V15-L17 VanDerWaalsContact O-N 3.08Å | ||
| 16 | T | 43.3 | Very low | 40.7 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -57.1 | 109.9 | 174.5 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 17 | L | 38.8 | Very low | 41 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -108 | 136.7 | 156.4 | -66.8 | 179 | 0 | 0 | 0 | 108.1 | V15 A19 | V15-L17 PolarHBondContact O-N 3.2Å; V15-L17 VanDerWaalsContact O-N 3.08Å; L17-A19 PolarHBondContact O-N 3.31Å | ||
| 18 | P | 40.6 | Very low | 41.5 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -69.2 | 130.1 | -164.5 | 26.1 | -34.5 | 0 | 0 | 0 | 111.8 | A20 | P18-A20 PolarHBondContact O-N 3.41Š| ||
| 19 | A | 32 | Very low | 42.1 | Very low | 95 Ų | 95 | 117.8 Ų | 117.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -63 | 97 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L17 T21 | L17-A19 PolarHBondContact O-N 3.31Å; A19-T21 PolarHBondContact O-N 3.49Å | ||
| 20 | A | 37.8 | Very low | 43 | Very low | 93 Ų | 93 | 112.9 Ų | 112.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -67.1 | 98.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108 | P18 A22 | P18-A20 PolarHBondContact O-N 3.41Å; A20-A22 VanDerWaalsContact C-N 3.32Å; A20-A22 PolarHBondContact O-N 3.32Å | ||
| 21 | T | 40.7 | Very low | 44 | Very low | 133 Ų | 133 | 115.1 Ų | 115.1 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | trans | -59.3 | 92.7 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | A19 G23 | A19-T21 PolarHBondContact O-N 3.49Å; T21-G23 PolarHBondContact O-N 3.05Å | ||
| 22 | A | 42.7 | Very low | 44.6 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -71.5 | 71.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | A20 | A20-A22 VanDerWaalsContact C-N 3.32Å; A20-A22 PolarHBondContact O-N 3.32Å | ||
| 23 | G | 36.2 | Very low | 45.8 | Very low | 47 Ų | 47 | 118.5 Ų | 118.5 | 49% | 0.485 | 74% | 0.743 | S | S | . | * | trans | -55.1 | 146.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T21 A25 | T21-G23 PolarHBondContact O-N 3.05Å; G23-A25 PolarHBondContact O-N 3.12Å | ||
| 24 | P | 43.3 | Very low | 47 | Very low | 110 Ų | 110 | 113.9 Ų | 113.9 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | trans | -55.6 | 130.9 | -170.9 | 21.9 | -33.7 | 0 | 0 | 0 | 111.3 | Q26 | P24-Q26 PolarHBondContact O-N 3.32Š| ||
| 25 | A | 47.6 | Very low | 48.4 | Very low | 103 Ų | 103 | 113.3 Ų | 113.3 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | trans | -67.1 | 89.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G23 | G23-A25 PolarHBondContact O-N 3.12Š| ||
| 26 | Q | 45 | Very low | 49.9 | Very low | 158 Ų | 158 | 114.7 Ų | 114.7 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | -60.1 | 131.1 | 179.6 | -72.6 | -67.1 | -22 | 0 | 0 | 111.4 | P24 G28 | P24-Q26 PolarHBondContact O-N 3.32Å; Q26-G28 PolarHBondContact O-N 3.29Å | ||
| 27 | P | 48.3 | Very low | 51.5 | Low | 133 Ų | 133 | 112.2 Ų | 112.2 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | -76.8 | 66.9 | -179.9 | 32.4 | -35.7 | 0 | 0 | 0 | 111.7 | ||||
| 28 | G | 49 | Very low | 53.6 | Low | 59 Ų | 59 | 107.3 Ų | 107.3 | 61% | 0.608 | 69% | 0.69 | S | S | * | * | trans | -125 | 65.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q26 V30 | Q26-G28 PolarHBondContact O-N 3.29Å; G28-V30 PolarHBondContact O-N 3.2Å | ||
| 29 | A | 55.6 | Low | 55.3 | Low | 99 Ų | 99 | 106.5 Ų | 106.5 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -74.8 | 88 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 30 | V | 55.6 | Low | 57.5 | Low | 94 Ų | 94 | 106.8 Ų | 106.8 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | trans | -62 | 128 | 169.6 | -67 | 0 | 0 | 0 | 0 | 110.5 | G28 L32 R33 | G28-V30 PolarHBondContact O-N 3.2Å; V30-L32 VanDerWaalsContact C-N 3.32Å; V30-L32 PolarHBondContact O-N 2.7Å; V30-L32 VanDerWaalsContact O-N 3.16Å; V30-R33 HydrophobicContact CG2-CG 4.04Å; V30-R33 PolarHBondContact O-N 2.67Å | ||
| 31 | P | 56.8 | Low | 59.2 | Low | 114 Ų | 114 | 105.4 Ų | 105.4 | 74% | 0.74 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -69.6 | -23.5 | -155.8 | 23.7 | -35 | 0 | 0 | 0 | 115 | R33 | P31-R33 VanDerWaalsContact C-N 3.28Å; P31-R33 PolarHBondContact O-N 3.05Å |
| 32 | L | 57.4 | Low | 60.8 | Low | 138 Ų | 138 | 104.2 Ų | 104.2 | 72% | 0.723 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -77.1 | -11.5 | -177.3 | -58.1 | 178.8 | 0 | 0 | 0 | 113.7 | V30 I34 | V30-L32 VanDerWaalsContact C-N 3.32Å; V30-L32 PolarHBondContact O-N 2.7Å; V30-L32 VanDerWaalsContact O-N 3.16Å; L32-I34 PolarHBondContact O-N 3.4Å; L32-I34 VanDerWaalsContact O-N 3.08Å |
| 33 | R | 65.5 | Low | 62.3 | Low | 153 Ų | 153 | 107.1 Ų | 107.1 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -65.4 | -14.9 | -171.2 | -105.7 | 173.3 | 56.6 | 138.3 | -7.6 | 115.1 | V30 P31 K37 | V30-R33 HydrophobicContact CG2-CG 4.04Å; V30-R33 PolarHBondContact O-N 2.67Å; P31-R33 VanDerWaalsContact C-N 3.28Å; P31-R33 PolarHBondContact O-N 3.05Å; R33-K37 WeakPolarHBondContact O-CD 3.44Å; R33-K37 WeakPolarHBondContact O-CE 3.38Å; R33-K37 PolarHBondContact O-NZ 3.18Å |
| 34 | I | 69.6 | Low | 63.9 | Low | 84 Ų | 84 | 112.8 Ų | 112.8 | 43% | 0.431 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -84.9 | -33.6 | -172.5 | -60.4 | 174.8 | 0 | 0 | 0 | 112.1 | L32 N36 K37 Y41 F42 | L32-I34 PolarHBondContact O-N 3.4Å; L32-I34 VanDerWaalsContact O-N 3.08Å; I34-N36 VanDerWaalsContact C-N 3.28Å; I34-N36 PolarHBondContact O-N 3.41Å; I34-N36 VanDerWaalsContact O-N 3.15Å; I34-K37 PolarHBondContact O-N 3.37Å; I34-Y41 HydrophobicContact CG1-CE1 4.48Å; I34-F42 HydrophobicContact CG2-CE1 4.06Å; I34-F42 HydrophobicContact CG2-CE2 4.49Å; I34-F42 HydrophobicContact CG2-CZ 3.52Å |
| 35 | L | 70.5 | Confident | 64.9 | Low | 151 Ų | 151 | 111.4 Ų | 111.4 | 79% | 0.791 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -34.5 | -173.5 | -92.2 | 162.1 | 0 | 0 | 0 | 114.6 | K37 | L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 3.4Å |
| 36 | N | 71.7 | Confident | 65.7 | Low | 150 Ų | 150 | 109.2 Ų | 109.2 | 80% | 0.802 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 17.9 | -179.6 | -60.9 | 80.8 | 0 | 0 | 0 | 113.6 | I34 | I34-N36 VanDerWaalsContact C-N 3.28Å; I34-N36 PolarHBondContact O-N 3.41Å; I34-N36 VanDerWaalsContact O-N 3.15Å |
| 37 | K | 77.7 | Confident | 66.6 | Low | 77 Ų | 77 | 104.7 Ų | 104.7 | 34% | 0.335 | 58% | 0.58 | S | S | . | * | trans | -112.8 | 124.8 | 175.5 | -84.3 | 77.7 | 173.5 | 172.2 | 0 | 110.7 | R33 I34 L35 Y41 | R33-K37 WeakPolarHBondContact O-CD 3.44Å; R33-K37 WeakPolarHBondContact O-CE 3.38Å; R33-K37 PolarHBondContact O-NZ 3.18Å; I34-K37 PolarHBondContact O-N 3.37Å; L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 3.4Å; K37-Y41 VanDerWaalsContact CB-CB 3.5Å; K37-Y41 HydrophobicContact CB-CD1 3.81Å; K37-Y41 HydrophobicContact CB-CD2 4.49Å; K37-Y41 HydrophobicContact CB-CG 3.7Å; K37-Y41 HydrophobicContact CG-CD1 3.94Å; K37-Y41 HydrophobicContact CG-CD2 3.87Å; K37-Y41 HydrophobicContact CG-CE2 4.47Å; K37-Y41 HydrophobicContact CG-CG 3.57Å | ||
| 38 | G | 81.6 | Confident | 67.3 | Low | 47 Ų | 47 | 103.7 Ų | 103.7 | 49% | 0.485 | 56% | 0.564 | S | S | . | * | trans | -66.8 | 173.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | E40 Y41 | G38-E40 PolarHBondContact O-N 2.91Å; G38-Y41 WeakPolarHBondContact O-CB 3.27Å; G38-Y41 PolarHBondContact O-N 3.03Å | ||
| 39 | P | 77.8 | Confident | 67.6 | Low | 98 Ų | 98 | 107.6 Ų | 107.6 | 64% | 0.636 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -27.2 | -173.1 | 20.8 | -33.4 | 0 | 0 | 0 | 114.5 | Y41 F42 R43 | P39-Y41 PolarHBondContact O-N 3.19Å; P39-F42 PolarHBondContact O-N 3.48Å; P39-F42 VanDerWaalsContact O-N 3.12Å; P39-R43 PolarHBondContact O-N 3.36Å; P39-R43 VanDerWaalsContact O-N 3.14Å |
| 40 | E | 76.3 | Confident | 67.3 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.5 | -25.8 | 175.8 | -59.9 | -49.9 | 133.6 | 0 | 0 | 114.4 | G38 R43 R44 | G38-E40 PolarHBondContact O-N 2.91Å; E40-R43 IonicContact OE1-CZ 3.55Å; E40-R43 IonicContact OE1-NH1 2.7Å; E40-R43 PolarHBondContact OE1-NH1 2.66Å; E40-R43 IonicContact OE1-NH2 3.2Å; E40-R43 IonicContact OE2-CZ 2.66Å; E40-R43 IonicContact OE2-NE 3.39Å; E40-R43 IonicContact OE2-NH1 3.64Å; E40-R43 PolarHBondContact OE2-NH1 3.41Å; E40-R44 WeakPolarHBondContact O-CB 3.44Å; E40-R44 PolarHBondContact O-N 3.41Å |
| 41 | Y | 74.9 | Confident | 66.8 | Low | 63 Ų | 63 | 111 Ų | 111 | 25% | 0.247 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -67.7 | -41.2 | 175.3 | 176.1 | -114 | 0 | 0 | 0 | 112 | I34 K37 G38 P39 R44 Q45 | I34-Y41 HydrophobicContact CG1-CE1 4.48Å; K37-Y41 VanDerWaalsContact CB-CB 3.5Å; K37-Y41 HydrophobicContact CB-CD1 3.81Å; K37-Y41 HydrophobicContact CB-CD2 4.49Å; K37-Y41 HydrophobicContact CB-CG 3.7Å; K37-Y41 HydrophobicContact CG-CD1 3.94Å; K37-Y41 HydrophobicContact CG-CD2 3.87Å; K37-Y41 HydrophobicContact CG-CE2 4.47Å; K37-Y41 HydrophobicContact CG-CG 3.57Å; G38-Y41 WeakPolarHBondContact O-CB 3.27Å; G38-Y41 PolarHBondContact O-N 3.03Å; P39-Y41 PolarHBondContact O-N 3.19Å; Y41-R44 PolarHBondContact O-N 2.95Å; Y41-Q45 HydrophobicContact CE2-CG 4.2Å; Y41-Q45 WeakPolarHBondContact O-CB 3.24Å; Y41-Q45 WeakPolarHBondContact O-CG 3.46Å; Y41-Q45 PolarHBondContact O-N 2.95Å; Y41-Q45 PolarHBondContact OH-NE2 3.12Å |
| 42 | F | 74.4 | Confident | 66.7 | Low | 108 Ų | 108 | 112 Ų | 112 | 47% | 0.474 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.9 | -38.5 | 176.5 | -59 | -83.6 | 0 | 0 | 0 | 111.1 | I34 P39 Q45 A46 | I34-F42 HydrophobicContact CG2-CE1 4.06Å; I34-F42 HydrophobicContact CG2-CE2 4.49Å; I34-F42 HydrophobicContact CG2-CZ 3.52Å; P39-F42 PolarHBondContact O-N 3.48Å; P39-F42 VanDerWaalsContact O-N 3.12Å; F42-Q45 PolarHBondContact O-N 3.14Å; F42-A46 WeakPolarHBondContact O-CB 3.41Å; F42-A46 PolarHBondContact O-N 3.19Å |
| 43 | R | 73.4 | Confident | 66.8 | Low | 161 Ų | 161 | 112.8 Ų | 112.8 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.6 | -42.1 | 172.4 | -169.3 | -175.9 | -66.1 | 143.8 | 2.2 | 111.6 | P39 E40 A46 A47 | P39-R43 PolarHBondContact O-N 3.36Å; P39-R43 VanDerWaalsContact O-N 3.14Å; E40-R43 IonicContact OE1-CZ 3.55Å; E40-R43 IonicContact OE1-NH1 2.7Å; E40-R43 PolarHBondContact OE1-NH1 2.66Å; E40-R43 IonicContact OE1-NH2 3.2Å; E40-R43 IonicContact OE2-CZ 2.66Å; E40-R43 IonicContact OE2-NE 3.39Å; E40-R43 IonicContact OE2-NH1 3.64Å; E40-R43 PolarHBondContact OE2-NH1 3.41Å; R43-A46 PolarHBondContact O-N 3.24Å; R43-A47 PolarHBondContact O-N 3.01Å |
| 44 | R | 69.4 | Low | 66.9 | Low | 166 Ų | 166 | 114.9 Ų | 114.9 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.3 | -42.7 | 176 | -173.6 | 174.3 | -61.5 | -144.4 | 0.4 | 111.9 | E40 Y41 A46 A47 E48 | E40-R44 WeakPolarHBondContact O-CB 3.44Å; E40-R44 PolarHBondContact O-N 3.41Å; Y41-R44 PolarHBondContact O-N 2.95Å; R44-A46 VanDerWaalsContact C-N 3.3Å; R44-A46 PolarHBondContact O-N 2.94Å; R44-A47 CarbonylContact O-C 3.42Å; R44-A47 PolarHBondContact O-N 3.33Å; R44-E48 VanDerWaalsContact CD-OE1 3.29Å; R44-E48 WeakPolarHBondContact CD-OE1 3.2Å; R44-E48 HydrophobicContact CG-CG 4.22Å; R44-E48 WeakPolarHBondContact CG-OE1 3.5Å; R44-E48 WeakPolarHBondContact O-CB 3.48Å; R44-E48 WeakPolarHBondContact O-CG 3.33Å; R44-E48 PolarHBondContact O-N 3.41Å |
| 45 | Q | 64.8 | Low | 67.1 | Low | 81 Ų | 81 | 114.1 Ų | 114.1 | 38% | 0.379 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -35.6 | 172.5 | -76.4 | -165.6 | -53.8 | 0 | 0 | 112.5 | Y41 F42 E48 Q49 | Y41-Q45 HydrophobicContact CE2-CG 4.2Å; Y41-Q45 WeakPolarHBondContact O-CB 3.24Å; Y41-Q45 WeakPolarHBondContact O-CG 3.46Å; Y41-Q45 PolarHBondContact O-N 2.95Å; Y41-Q45 PolarHBondContact OH-NE2 3.12Å; F42-Q45 PolarHBondContact O-N 3.14Å; Q45-E48 PolarHBondContact O-N 3Å; Q45-Q49 VanDerWaalsContact O-CB 3.31Å; Q45-Q49 WeakPolarHBondContact O-CB 3.29Å; Q45-Q49 WeakPolarHBondContact O-CG 3.33Å; Q45-Q49 PolarHBondContact O-N 3.39Å |
| 46 | A | 63.8 | Low | 67.6 | Low | 57 Ų | 57 | 110 Ų | 110 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -42.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F42 R43 R44 Q49 H50 | F42-A46 WeakPolarHBondContact O-CB 3.41Å; F42-A46 PolarHBondContact O-N 3.19Å; R43-A46 PolarHBondContact O-N 3.24Å; R44-A46 VanDerWaalsContact C-N 3.3Å; R44-A46 PolarHBondContact O-N 2.94Å; A46-Q49 PolarHBondContact O-N 3.3Å; A46-H50 PolarHBondContact O-CD2 3.01Å; A46-H50 VanDerWaalsContact O-CD2 3.31Å; A46-H50 PolarHBondContact O-N 2.97Å |
| 47 | A | 64.5 | Low | 67.9 | Low | 64 Ų | 64 | 106.3 Ų | 106.3 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R43 R44 Q49 H50 | R43-A47 PolarHBondContact O-N 3.01Å; R44-A47 CarbonylContact O-C 3.42Å; R44-A47 PolarHBondContact O-N 3.33Å; A47-Q49 VanDerWaalsContact C-N 3.35Å; A47-H50 WeakPolarHBondContact O-CB 3.38Å; A47-H50 PolarHBondContact O-N 2.9Å |
| 48 | E | 62.1 | Low | 68.2 | Low | 111 Ų | 111 | 107.6 Ų | 107.6 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.2 | -18.3 | 177.9 | -69.8 | 167.7 | 178.8 | 0 | 0 | 113 | R44 Q45 H50 Q51 | R44-E48 VanDerWaalsContact CD-OE1 3.29Å; R44-E48 WeakPolarHBondContact CD-OE1 3.2Å; R44-E48 HydrophobicContact CG-CG 4.22Å; R44-E48 WeakPolarHBondContact CG-OE1 3.5Å; R44-E48 WeakPolarHBondContact O-CB 3.48Å; R44-E48 WeakPolarHBondContact O-CG 3.33Å; R44-E48 PolarHBondContact O-N 3.41Å; Q45-E48 PolarHBondContact O-N 3Å; E48-H50 VanDerWaalsContact C-N 3.29Å; E48-Q51 PolarHBondContact O-N 3Å |
| 49 | Q | 55.8 | Low | 68.4 | Low | 141 Ų | 141 | 109.8 Ų | 109.8 | 66% | 0.659 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.7 | -23 | 166.8 | -78.9 | -79.5 | 5.4 | 0 | 0 | 112.1 | Q45 A46 A47 Q51 | Q45-Q49 VanDerWaalsContact O-CB 3.31Å; Q45-Q49 WeakPolarHBondContact O-CB 3.29Å; Q45-Q49 WeakPolarHBondContact O-CG 3.33Å; Q45-Q49 PolarHBondContact O-N 3.39Å; A46-Q49 PolarHBondContact O-N 3.3Å; A47-Q49 VanDerWaalsContact C-N 3.35Å; Q49-Q51 PolarHBondContact O-N 3.01Å |
| 50 | H | 49.9 | Very low | 68.8 | Low | 161 Ų | 161 | 111.9 Ų | 111.9 | 75% | 0.745 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -73.3 | 63.9 | 156.7 | -65.1 | -83.3 | 0 | 0 | 0 | 109.8 | A46 A47 E48 | A46-H50 PolarHBondContact O-CD2 3.01Å; A46-H50 VanDerWaalsContact O-CD2 3.31Å; A46-H50 PolarHBondContact O-N 2.97Å; A47-H50 WeakPolarHBondContact O-CB 3.38Å; A47-H50 PolarHBondContact O-N 2.9Å; E48-H50 VanDerWaalsContact C-N 3.29Å |
| 51 | Q | 45.3 | Very low | 69 | Low | 104 Ų | 104 | 113.2 Ų | 113.2 | 49% | 0.486 | 56% | 0.559 | S | S | . | * | trans | -48.4 | 118.9 | 169.2 | -79.5 | -76.4 | -24.7 | 0 | 0 | 109.2 | E48 Q49 H53 R54 | E48-Q51 PolarHBondContact O-N 3Å; Q49-Q51 PolarHBondContact O-N 3.01Å; Q51-H53 PolarHBondContact O-N 2.9Å; Q51-R54 HydrophobicContact CB-CB 4.01Å; Q51-R54 HydrophobicContact CB-CG 3.76Å; Q51-R54 HydrophobicContact CG-CG 4.42Å; Q51-R54 PolarHBondContact O-N 3.26Å | ||
| 52 | P | 54.7 | Low | 69.4 | Low | 136 Ų | 136 | 115.2 Ų | 115.2 | 88% | 0.883 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 3.3 | -176.4 | 28.4 | -36.1 | 0 | 0 | 0 | 113.8 | ||
| 53 | H | 58.5 | Low | 69.7 | Low | 153 Ų | 153 | 113.3 Ų | 113.3 | 71% | 0.708 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 4.1 | 176.5 | -166.8 | 55.8 | 0 | 0 | 0 | 113.3 | Q51 M55 | Q51-H53 PolarHBondContact O-N 2.9Å; H53-M55 PolarHBondContact O-N 3.44Å; H53-M55 VanDerWaalsContact O-N 3.08Å |
| 54 | R | 68.1 | Low | 70.5 | Confident | 197 Ų | 197 | 109.3 Ų | 109.3 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | trans | -87.4 | 65.2 | 173.1 | -79.8 | -168.2 | 165 | -152.9 | -7.5 | 111.4 | Q51 S56 | Q51-R54 HydrophobicContact CB-CB 4.01Å; Q51-R54 HydrophobicContact CB-CG 3.76Å; Q51-R54 HydrophobicContact CG-CG 4.42Å; Q51-R54 PolarHBondContact O-N 3.26Å; R54-S56 PolarHBondContact O-N 3.34Å | ||
| 55 | M | 73.7 | Confident | 71.4 | Confident | 68 Ų | 68 | 104.1 Ų | 104.1 | 34% | 0.335 | 55% | 0.548 | S | S | . | . | trans | -50.2 | 133.4 | 174.7 | -59.5 | 178 | 73.3 | 0 | 0 | 111 | H53 E59 R60 | H53-M55 PolarHBondContact O-N 3.44Å; H53-M55 VanDerWaalsContact O-N 3.08Å; M55-E59 WeakPolarHBondContact CA-OE2 3.38Å; M55-E59 HydrophobicContact CB-CB 4.39Å; M55-E59 HydrophobicContact CB-CG 4.24Å; M55-E59 HydrophobicContact CE-CG 3.78Å; M55-E59 WeakPolarHBondContact CG-OE1 3.41Å; M55-R60 HydrophobicContact CB-CG 4.17Å; M55-R60 PolarHBondContact O-NE 2.8Å; M55-R60 PolarHBondContact O-NH2 2.84Å | ||
| 56 | S | 80.9 | Confident | 72 | Confident | 65 Ų | 65 | 103.6 Ų | 103.6 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | trans | -61.5 | 158.8 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | R54 V58 E59 R60 | R54-S56 PolarHBondContact O-N 3.34Å; S56-V58 VanDerWaalsContact C-N 3.25Å; S56-V58 PolarHBondContact O-N 2.76Å; S56-E59 PolarHBondContact N-OE2 3.15Å; S56-E59 WeakPolarHBondContact O-CB 3.08Å; S56-E59 PolarHBondContact O-N 3.44Å; S56-E59 VanDerWaalsContact O-N 3.12Å; S56-R60 WeakPolarHBondContact O-CG 3.16Å; S56-R60 PolarHBondContact O-N 2.95Å | ||
| 57 | A | 79.4 | Confident | 73.1 | Confident | 72 Ų | 72 | 107.4 Ų | 107.4 | 60% | 0.595 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.2 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L61 | A57-L61 VanDerWaalsContact O-CG 3.29Å; A57-L61 WeakPolarHBondContact O-CG 3.36Å; A57-L61 PolarHBondContact O-N 3.08Å; A57-L61 VanDerWaalsContact O-N 3.1Å |
| 58 | V | 82.8 | Confident | 73.9 | Confident | 105 Ų | 105 | 112.3 Ų | 112.3 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.9 | -40.8 | 175.4 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | S56 L61 E62 | S56-V58 VanDerWaalsContact C-N 3.25Å; S56-V58 PolarHBondContact O-N 2.76Å; V58-L61 PolarHBondContact O-N 3.02Å; V58-E62 PolarHBondContact O-N 3.38Å |
| 59 | E | 85 | Confident | 75 | Confident | 93 Ų | 93 | 109 Ų | 109 | 44% | 0.435 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69 | -36.3 | -177.7 | -164.6 | -171.5 | 158.2 | 0 | 0 | 111.9 | M55 S56 E62 A63 | M55-E59 WeakPolarHBondContact CA-OE2 3.38Å; M55-E59 HydrophobicContact CB-CB 4.39Å; M55-E59 HydrophobicContact CB-CG 4.24Å; M55-E59 HydrophobicContact CE-CG 3.78Å; M55-E59 WeakPolarHBondContact CG-OE1 3.41Å; S56-E59 PolarHBondContact N-OE2 3.15Å; S56-E59 WeakPolarHBondContact O-CB 3.08Å; S56-E59 PolarHBondContact O-N 3.44Å; S56-E59 VanDerWaalsContact O-N 3.12Å; E59-E62 PolarHBondContact O-N 2.89Å; E59-A63 WeakPolarHBondContact O-CB 3.34Å; E59-A63 PolarHBondContact O-N 2.7Å |
| 60 | R | 87.4 | Confident | 76.4 | Confident | 142 Ų | 142 | 112.8 Ų | 112.8 | 54% | 0.536 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.7 | -43.7 | 169.4 | -66 | 170.3 | -167.4 | -140.8 | -3.6 | 111.8 | M55 S56 E62 A63 D64 | M55-R60 HydrophobicContact CB-CG 4.17Å; M55-R60 PolarHBondContact O-NE 2.8Å; M55-R60 PolarHBondContact O-NH2 2.84Å; S56-R60 WeakPolarHBondContact O-CG 3.16Å; S56-R60 PolarHBondContact O-N 2.95Å; R60-E62 VanDerWaalsContact C-N 3.29Å; R60-E62 PolarHBondContact O-N 2.77Å; R60-A63 PolarHBondContact O-N 3.19Å; R60-D64 WeakPolarHBondContact O-CB 3.4Å; R60-D64 PolarHBondContact O-N 2.84Å |
| 61 | L | 80.8 | Confident | 77.9 | Confident | 130 Ų | 130 | 107.3 Ų | 107.3 | 68% | 0.681 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.9 | -32.7 | 176.8 | -73.2 | 168.5 | 0 | 0 | 0 | 112.2 | A57 V58 K65 | A57-L61 VanDerWaalsContact O-CG 3.29Å; A57-L61 WeakPolarHBondContact O-CG 3.36Å; A57-L61 PolarHBondContact O-N 3.08Å; A57-L61 VanDerWaalsContact O-N 3.1Å; V58-L61 PolarHBondContact O-N 3.02Å; L61-K65 WeakPolarHBondContact O-CB 3.27Å; L61-K65 PolarHBondContact O-N 3.35Å |
| 62 | E | 82 | Confident | 79.4 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.4 | -43.9 | 172 | -171.4 | 165.6 | 154.5 | 0 | 0 | 111.5 | V58 E59 R60 K65 K78 | V58-E62 PolarHBondContact O-N 3.38Å; E59-E62 PolarHBondContact O-N 2.89Å; R60-E62 VanDerWaalsContact C-N 3.29Å; R60-E62 PolarHBondContact O-N 2.77Å; E62-K65 WeakPolarHBondContact O-CB 3.38Å; E62-K65 PolarHBondContact O-N 2.74Å; E62-K78 WeakPolarHBondContact OE1-CE 3.24Å; E62-K78 IonicContact OE1-NZ 2.71Å; E62-K78 PolarHBondContact OE1-NZ 2.83Å; E62-K78 IonicContact OE2-NZ 2.7Å; E62-K78 PolarHBondContact OE2-NZ 3.42Å |
| 63 | A | 82.2 | Confident | 80.5 | Confident | 67 Ų | 67 | 108.9 Ų | 108.9 | 55% | 0.554 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.9 | -45.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E59 R60 K65 | E59-A63 WeakPolarHBondContact O-CB 3.34Å; E59-A63 PolarHBondContact O-N 2.7Å; R60-A63 PolarHBondContact O-N 3.19Å; A63-K65 VanDerWaalsContact C-N 3.26Å; A63-K65 PolarHBondContact O-N 3.04Å |
| 64 | D | 88.5 | Confident | 81.2 | Confident | 78 Ų | 78 | 105.6 Ų | 105.6 | 42% | 0.417 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.2 | -9.9 | 179 | -88.6 | -40.4 | 0 | 0 | 0 | 113.1 | R60 A66 K67 Y68 | R60-D64 WeakPolarHBondContact O-CB 3.4Å; R60-D64 PolarHBondContact O-N 2.84Å; D64-A66 VanDerWaalsContact C-N 3.28Å; D64-A66 PolarHBondContact O-N 3.29Å; D64-K67 VanDerWaalsContact O-CB 3.3Å; D64-K67 WeakPolarHBondContact O-CB 3.42Å; D64-K67 PolarHBondContact O-N 2.97Å; D64-Y68 HydrophobicContact CB-CD2 4.46Å; D64-Y68 HydrophobicContact CB-CE2 4.39Å; D64-Y68 WeakPolarHBondContact O-CD2 3.28Å |
| 65 | K | 88.8 | Confident | 81.4 | Confident | 56 Ų | 56 | 97.8 Ų | 97.8 | 24% | 0.243 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -55.5 | -41.7 | -175.8 | -160.5 | 174.3 | -176.8 | -168.9 | 0 | 112.5 | L61 E62 A63 K67 Y68 V69 V74 I75 A77 | L61-K65 WeakPolarHBondContact O-CB 3.27Å; L61-K65 PolarHBondContact O-N 3.35Å; E62-K65 WeakPolarHBondContact O-CB 3.38Å; E62-K65 PolarHBondContact O-N 2.74Å; A63-K65 VanDerWaalsContact C-N 3.26Å; A63-K65 PolarHBondContact O-N 3.04Å; K65-K67 PolarHBondContact O-N 3.49Å; K65-Y68 PolarHBondContact O-N 3.34Å; K65-V69 HydrophobicContact CG-CB 4.48Å; K65-V69 HydrophobicContact CG-CG2 3.87Å; K65-V69 VanDerWaalsContact O-CB 3.3Å; K65-V69 WeakPolarHBondContact O-CB 3.49Å; K65-V69 WeakPolarHBondContact O-CG2 3.29Å; K65-V69 PolarHBondContact O-N 2.91Å; K65-V74 WeakPolarHBondContact CE-O 3.45Å; K65-V74 PolarHBondContact NZ-O 2.79Å; K65-I75 HydrophobicContact CD-CG2 4.44Å; K65-I75 WeakPolarHBondContact CE-O 3.35Å; K65-I75 PolarHBondContact NZ-O 3.19Å; K65-A77 PolarHBondContact NZ-O 2.87Å |
| 66 | A | 78.6 | Confident | 81.4 | Confident | 70 Ų | 70 | 99.9 Ų | 99.9 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.3 | -15.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D64 I75 | D64-A66 VanDerWaalsContact C-N 3.28Å; D64-A66 PolarHBondContact O-N 3.29Å; A66-I75 HydrophobicContact CB-CD1 4.08Å |
| 67 | K | 86.3 | Confident | 81.3 | Confident | 137 Ų | 137 | 99.7 Ų | 99.7 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -84 | -24.5 | 177.8 | -176.8 | -178.7 | 170.6 | -155.3 | 0 | 112.7 | D64 K65 | D64-K67 VanDerWaalsContact O-CB 3.3Å; D64-K67 WeakPolarHBondContact O-CB 3.42Å; D64-K67 PolarHBondContact O-N 2.97Å; K65-K67 PolarHBondContact O-N 3.49Å |
| 68 | Y | 81.3 | Confident | 80.7 | Confident | 168 Ų | 168 | 102.6 Ų | 102.6 | 66% | 0.659 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -120.3 | -15.2 | -173.4 | -62.4 | -75.5 | 0 | 0 | 0 | 114.2 | D64 K65 | D64-Y68 HydrophobicContact CB-CD2 4.46Å; D64-Y68 HydrophobicContact CB-CE2 4.39Å; D64-Y68 WeakPolarHBondContact O-CD2 3.28Å; K65-Y68 PolarHBondContact O-N 3.34Å |
| 69 | V | 86.1 | Confident | 79.9 | Confident | 41 Ų | 41 | 106.6 Ų | 106.6 | 25% | 0.248 | 54% | 0.535 | C | S | . | . | trans | -106.1 | 121.4 | 177 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | K65 V74 I75 | K65-V69 HydrophobicContact CG-CB 4.48Å; K65-V69 HydrophobicContact CG-CG2 3.87Å; K65-V69 VanDerWaalsContact O-CB 3.3Å; K65-V69 WeakPolarHBondContact O-CB 3.49Å; K65-V69 WeakPolarHBondContact O-CG2 3.29Å; K65-V69 PolarHBondContact O-N 2.91Å; V69-V74 HydrophobicContact CG1-CB 3.61Å; V69-V74 HydrophobicContact CG1-CG1 3.62Å; V69-I75 HydrophobicContact CB-CG1 3.85Å; V69-I75 HydrophobicContact CG1-CG1 3.8Å | ||
| 70 | K | 84.8 | Confident | 78.9 | Confident | 220 Ų | 220 | 109.4 Ų | 109.4 | 96% | 0.957 | 55% | 0.548 | S | S | * | . | trans | -87.6 | -9.8 | -172.9 | -164 | 174.3 | 178.1 | -177.7 | 0 | 115.2 | ||||
| 71 | S | 81.8 | Confident | 77.6 | Confident | 46 Ų | 46 | 107.2 Ų | 107.2 | 32% | 0.322 | 55% | 0.552 | S | S | . | * | trans | -115.9 | 130.7 | 176.6 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | E73 V74 I75 | S71-E73 VanDerWaalsContact C-N 3.25Å; S71-E73 PolarHBondContact O-N 3.14Å; S71-E73 PolarHBondContact OG-N 2.89Å; S71-V74 PolarHBondContact O-N 3.36Å; S71-I75 PolarHBondContact O-N 3Å; S71-I75 VanDerWaalsContact O-N 3.14Å | ||
| 72 | Q | 75.4 | Confident | 76.2 | Confident | 115 Ų | 115 | 108 Ų | 108 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.7 | -29.7 | -179.8 | -167.2 | 62.8 | 47.1 | 0 | 0 | 112.8 | V74 I75 N76 | Q72-V74 VanDerWaalsContact C-N 3.34Å; Q72-V74 PolarHBondContact O-N 3Å; Q72-I75 WeakPolarHBondContact O-CB 3.17Å; Q72-I75 PolarHBondContact O-N 3.34Å; Q72-N76 PolarHBondContact NE2-OD1 3.41Å; Q72-N76 WeakPolarHBondContact O-CB 3.5Å; Q72-N76 VanDerWaalsContact O-CG 3.25Å; Q72-N76 PolarHBondContact O-N 3.1Å; Q72-N76 PolarHBondContact O-OD1 3.09Å |
| 73 | E | 78.6 | Confident | 74.7 | Confident | 158 Ų | 158 | 109 Ų | 109 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63 | -43.5 | 177.3 | -61.3 | 170.2 | 155.1 | 0 | 0 | 110.7 | S71 I75 N76 A77 | S71-E73 VanDerWaalsContact C-N 3.25Å; S71-E73 PolarHBondContact O-N 3.14Å; S71-E73 PolarHBondContact OG-N 2.89Å; E73-I75 VanDerWaalsContact C-N 3.34Å; E73-N76 PolarHBondContact O-N 2.83Å; E73-A77 WeakPolarHBondContact O-CB 3.41Å; E73-A77 PolarHBondContact O-N 2.98Å |
| 74 | V | 72.8 | Confident | 73.2 | Confident | 84 Ų | 84 | 110.7 Ų | 110.7 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.5 | -28.8 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | K65 V69 S71 Q72 | K65-V74 WeakPolarHBondContact CE-O 3.45Å; K65-V74 PolarHBondContact NZ-O 2.79Å; V69-V74 HydrophobicContact CG1-CB 3.61Å; V69-V74 HydrophobicContact CG1-CG1 3.62Å; S71-V74 PolarHBondContact O-N 3.36Å; Q72-V74 VanDerWaalsContact C-N 3.34Å; Q72-V74 PolarHBondContact O-N 3Å |
| 75 | I | 71.8 | Confident | 71.3 | Confident | 33 Ų | 33 | 111.1 Ų | 111.1 | 17% | 0.169 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -65.9 | -48.9 | 170 | -64.6 | 169.8 | 0 | 0 | 0 | 110.4 | K65 A66 V69 S71 Q72 E73 A77 | K65-I75 HydrophobicContact CD-CG2 4.44Å; K65-I75 WeakPolarHBondContact CE-O 3.35Å; K65-I75 PolarHBondContact NZ-O 3.19Å; A66-I75 HydrophobicContact CB-CD1 4.08Å; V69-I75 HydrophobicContact CB-CG1 3.85Å; V69-I75 HydrophobicContact CG1-CG1 3.8Å; S71-I75 PolarHBondContact O-N 3Å; S71-I75 VanDerWaalsContact O-N 3.14Å; Q72-I75 WeakPolarHBondContact O-CB 3.17Å; Q72-I75 PolarHBondContact O-N 3.34Å; E73-I75 VanDerWaalsContact C-N 3.34Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.34Å |
| 76 | N | 75.1 | Confident | 69.4 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 60% | 0.599 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.3 | -25.5 | -175.5 | -68.1 | -0.4 | 0 | 0 | 0 | 113.2 | Q72 E73 K78 | Q72-N76 PolarHBondContact NE2-OD1 3.41Å; Q72-N76 WeakPolarHBondContact O-CB 3.5Å; Q72-N76 VanDerWaalsContact O-CG 3.25Å; Q72-N76 PolarHBondContact O-N 3.1Å; Q72-N76 PolarHBondContact O-OD1 3.09Å; E73-N76 PolarHBondContact O-N 2.83Å; N76-K78 PolarHBondContact O-N 3.42Å |
| 77 | A | 77.1 | Confident | 67.8 | Low | 62 Ų | 62 | 121.7 Ų | 121.7 | 51% | 0.512 | 65% | 0.652 | S | S | . | * | trans | -62.8 | 102.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K65 E73 I75 | K65-A77 PolarHBondContact NZ-O 2.87Å; E73-A77 WeakPolarHBondContact O-CB 3.41Å; E73-A77 PolarHBondContact O-N 2.98Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.34Å | ||
| 78 | K | 68 | Low | 65.7 | Low | 133 Ų | 133 | 122.7 Ų | 122.7 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | trans | -88.4 | 138.6 | 164.9 | -62.9 | -160.7 | 179.5 | -157.7 | 0 | 109.2 | E62 N76 E80 | E62-K78 WeakPolarHBondContact OE1-CE 3.24Å; E62-K78 IonicContact OE1-NZ 2.71Å; E62-K78 PolarHBondContact OE1-NZ 2.83Å; E62-K78 IonicContact OE2-NZ 2.7Å; E62-K78 PolarHBondContact OE2-NZ 3.42Å; N76-K78 PolarHBondContact O-N 3.42Å; K78-E80 PolarHBondContact O-N 2.83Å | ||
| 79 | Q | 65.1 | Low | 64.1 | Low | 189 Ų | 189 | 120.6 Ų | 120.6 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | trans | -87.8 | 106.5 | 176.2 | -175 | 172.2 | 6 | 0 | 0 | 108.8 | ||||
| 80 | E | 64.6 | Low | 62.1 | Low | 152 Ų | 152 | 124.1 Ų | 124.1 | 71% | 0.71 | 70% | 0.696 | S | S | * | * | trans | -60.5 | 134.2 | 172.2 | -70.8 | -58.5 | 142 | 0 | 0 | 110.3 | K78 V82 | K78-E80 PolarHBondContact O-N 2.83Å; E80-V82 PolarHBondContact O-N 3.04Å | ||
| 81 | P | 59.8 | Low | 60.6 | Low | 95 Ų | 95 | 119.1 Ų | 119.1 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | trans | -66.3 | 132.6 | 173 | 28.6 | -33.1 | 0 | 0 | 0 | 109.2 | T83 | P81-T83 PolarHBondContact O-N 3.49Å; P81-T83 PolarHBondContact O-OG1 3.38Å | ||
| 82 | V | 51.4 | Low | 59.3 | Low | 148 Ų | 148 | 123.3 Ų | 123.3 | 90% | 0.897 | 71% | 0.712 | S | S | * | * | trans | -63.2 | 96.4 | 179 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | E80 A84 | E80-V82 PolarHBondContact O-N 3.04Å; V82-A84 PolarHBondContact O-N 3.08Å | ||
| 83 | T | 51.5 | Low | 57.5 | Low | 125 Ų | 125 | 121.1 Ų | 121.1 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | trans | -76.9 | 107.9 | -178.5 | 16.2 | 0 | 0 | 0 | 0 | 108.7 | P81 A85 | P81-T83 PolarHBondContact O-N 3.49Å; P81-T83 PolarHBondContact O-OG1 3.38Å; T83-A85 PolarHBondContact O-N 3.47Å | ||
| 84 | A | 49.1 | Very low | 56 | Low | 102 Ų | 102 | 119.7 Ų | 119.7 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | -63.6 | 100.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V82 L86 | V82-A84 PolarHBondContact O-N 3.08Å; A84-L86 PolarHBondContact O-N 3.24Å | ||
| 85 | A | 49.5 | Very low | 55.1 | Low | 87 Ų | 87 | 121.9 Ų | 121.9 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | trans | -71.1 | 102.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T83 L87 | T83-A85 PolarHBondContact O-N 3.47Å; A85-L87 PolarHBondContact O-N 2.96Å | ||
| 86 | L | 49.6 | Very low | 53.3 | Low | 165 Ų | 165 | 124.1 Ų | 124.1 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 35.2 | 77.6 | 138.7 | -57.5 | 176.2 | 0 | 0 | 0 | 116.8 | A84 L88 | A84-L86 PolarHBondContact O-N 3.24Å; L86-L88 PolarHBondContact O-N 3.16Å; L86-L88 VanDerWaalsContact O-N 3.12Å | ||
| 87 | L | 44.4 | Very low | 51.3 | Low | 184 Ų | 184 | 122.5 Ų | 122.5 | 96% | 0.963 | 78% | 0.782 | S | S | * | * | trans | -79.3 | 86.4 | 161.1 | -74.3 | 176.5 | 0 | 0 | 0 | 110.5 | A85 | A85-L87 PolarHBondContact O-N 2.96Š| ||
| 88 | L | 42.9 | Very low | 49.9 | Very low | 158 Ų | 158 | 125 Ų | 125 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -103 | 143.1 | 169.1 | -159.6 | 69.6 | 0 | 0 | 0 | 109.7 | L86 | L86-L88 PolarHBondContact O-N 3.16Å; L86-L88 VanDerWaalsContact O-N 3.12Å |
| 89 | P | 46.7 | Very low | 48.4 | Very low | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 146.5 | -171.1 | -20.6 | 34 | 0 | 0 | 0 | 115 | ||
| 90 | S | 45.3 | Very low | 47.2 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96 | 145.5 | 175.7 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 91 | P | 53.2 | Low | 45.9 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 165.6 | -172.6 | 31.8 | -36.8 | 0 | 0 | 0 | 115.1 | ||
| 92 | P | 54.1 | Low | 45.4 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89 | 156.6 | -170.7 | 35.1 | -36.7 | 0 | 0 | 0 | 115.5 | ||
| 93 | G | 36.7 | Very low | 44.8 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -143.7 | 163.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 94 | P | 48.3 | Very low | 44 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | trans | -119.2 | -154.5 | -150.2 | 48.1 | -34.9 | 0 | 0 | 0 | 113.1 | ||||
| 95 | P | 54.1 | Low | 43.3 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | -126 | 161.9 | -117.6 | 29.1 | -5.5 | 0 | 0 | 0 | 117.1 | |||||
| 96 | G | 33.3 | Very low | 42.5 | Very low | 81 Ų | 81 | 131.4 Ų | 131.4 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -169.2 | 138.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 97 | G | 32.3 | Very low | 41.8 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -101.4 | -157 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 98 | P | 48.1 | Very low | 41.9 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | cis | -110.4 | 144.7 | 1.8 | 37.7 | -26.5 | 0 | 0 | 0 | 112.8 | ||||
| 99 | A | 37.5 | Very low | 42 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | 77.6 | 98.8 | 68.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 100 | Y | 39.9 | Very low | 41.6 | Very low | 239 Ų | 239 | 122.7 Ų | 122.7 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -129.3 | 146.2 | 150.3 | -67.7 | -76.5 | 0 | 0 | 0 | 108.9 | ||||
| 101 | G | 37.1 | Very low | 41.5 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -95.3 | -162.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 102 | P | 48.2 | Very low | 40.8 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | cis | -118.6 | 173.6 | 17.1 | 40.6 | -29.9 | 0 | 0 | 0 | 116.1 | ||||
| 103 | K | 39.4 | Very low | 39.8 | Very low | 201 Ų | 201 | 127.2 Ų | 127.2 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -72.3 | 153 | 179.7 | -47.9 | -78.2 | -172.5 | 173.6 | 0 | 112.2 | ||||
| 104 | R | 35 | Very low | 39.8 | Very low | 253 Ų | 253 | 129 Ų | 129 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | -141.7 | 139.8 | 127.5 | -106 | -178 | -175.4 | -167.7 | 0.4 | 110.3 | |||||
| 105 | A | 33.6 | Very low | 39.7 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -117.5 | 164.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 106 | G | 33.4 | Very low | 39.3 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | trans | 143.2 | 76.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 107 | S | 35.1 | Very low | 39.7 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | 77.7 | 111.1 | 86.5 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 108 | S | 45.4 | Very low | 40.3 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -64.4 | 140.4 | 170.2 | -42.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 109 | P | 44.7 | Very low | 39.8 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 66% | 0.656 | 82% | 0.816 | S | S | * | * | trans | -101.5 | 107.8 | 157.3 | 33.1 | -25.7 | 0 | 0 | 0 | 110.3 | L111 | P109-L111 HydrophobicContact CB-CD2 4.25Å; P109-L111 HydrophobicContact CB-CG 4.31Å; P109-L111 PolarHBondContact O-N 3.19Å | ||
| 110 | A | 38.5 | Very low | 39.9 | Very low | 102 Ų | 102 | 142 Ų | 142 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -74.4 | 101.2 | 164 | 0 | 0 | 0 | 0 | 0 | 108.8 | K112 | A110-K112 PolarHBondContact O-N 2.76Š| ||
| 111 | L | 43.4 | Very low | 39.9 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -89.5 | 100.4 | -178.1 | -66.5 | -176 | 0 | 0 | 0 | 112.1 | P109 A113 | P109-L111 HydrophobicContact CB-CD2 4.25Å; P109-L111 HydrophobicContact CB-CG 4.31Å; P109-L111 PolarHBondContact O-N 3.19Å; L111-A113 PolarHBondContact O-N 3.33Å | ||
| 112 | K | 39.8 | Very low | 39.6 | Very low | 209 Ų | 209 | 139.5 Ų | 139.5 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -80.3 | 98.6 | 172.3 | -178.3 | -179.6 | 179.7 | 179.1 | 0 | 110.4 | A110 | A110-K112 PolarHBondContact O-N 2.76Š| ||
| 113 | A | 32.3 | Very low | 39.6 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | trans | -120.1 | 95.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L111 | L111-A113 PolarHBondContact O-N 3.33Š| ||
| 114 | S | 35.4 | Very low | 39.8 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | 71 | 79.8 | 81.3 | -162.9 | 0 | 0 | 0 | 0 | 112.5 | K116 | S114-K116 PolarHBondContact O-N 2.88Š| |||
| 115 | N | 46.7 | Very low | 40 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -61.3 | 120.2 | 168.9 | 169.6 | 10.3 | 0 | 0 | 0 | 110.3 | ||||
| 116 | K | 47.3 | Very low | 40.3 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -163.8 | 77.4 | 167.2 | -122.1 | 170.4 | -173.8 | 177.7 | 0 | 114 | S114 | S114-K116 PolarHBondContact O-N 2.88Š| ||
| 117 | N | 40.7 | Very low | 40.9 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -141 | 69.8 | 166.5 | 43.7 | -28.9 | 0 | 0 | 0 | 111.6 | G119 | N117-G119 VanDerWaalsContact C-N 3.34Å; N117-G119 PolarHBondContact O-N 2.97Å | ||
| 118 | N | 45.3 | Very low | 41.4 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -72.8 | 83.5 | 167.3 | 176.4 | 30 | 0 | 0 | 0 | 110.5 | ||||
| 119 | G | 37.5 | Very low | 41.6 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -92.5 | 114.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | N117 | N117-G119 VanDerWaalsContact C-N 3.34Å; N117-G119 PolarHBondContact O-N 2.97Å | ||
| 120 | K | 39.9 | Very low | 41.9 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -94.3 | 144.2 | -175.6 | -166.1 | 169.2 | -177.6 | 175.7 | 0 | 110.8 | ||||
| 121 | S | 39 | Very low | 42.8 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 59.8 | 133.1 | -170.9 | 36.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 122 | D | 31.4 | Very low | 43.8 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | cis | -123.7 | 160.7 | 38.3 | -174.6 | 32.8 | 0 | 0 | 0 | 115.3 | G124 | D122-G124 PolarHBondContact O-N 2.77Š| ||
| 123 | V | 48.4 | Very low | 44.9 | Very low | 148 Ų | 148 | 127 Ų | 127 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | trans | -94.9 | 72.5 | 175.3 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 124 | G | 42.6 | Very low | 46.5 | Very low | 45 Ų | 45 | 127.6 Ų | 127.6 | 46% | 0.464 | 70% | 0.702 | S | S | . | * | trans | -166.5 | 147.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | D122 A126 | D122-G124 PolarHBondContact O-N 2.77Å; G124-A126 PolarHBondContact O-N 3.08Å | ||
| 125 | Q | 39.8 | Very low | 48 | Very low | 193 Ų | 193 | 126.3 Ų | 126.3 | 90% | 0.902 | 69% | 0.686 | S | S | * | * | trans | 52.3 | 54.4 | 163.9 | -51.8 | -171.2 | 12.5 | 0 | 0 | 115.9 | K127 | Q125-K127 VanDerWaalsContact C-N 3.3Å; Q125-K127 PolarHBondContact O-N 3.27Å | ||
| 126 | A | 39.9 | Very low | 49 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | trans | -53.8 | 102 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | G124 R128 | G124-A126 PolarHBondContact O-N 3.08Å; A126-R128 PolarHBondContact O-N 3.38Å | ||
| 127 | K | 45.8 | Very low | 50 | Low | 186 Ų | 186 | 120 Ų | 120 | 81% | 0.809 | 65% | 0.648 | S | S | * | * | trans | -60.5 | 99.7 | -158.8 | -170.1 | 172.9 | -175.8 | 174.2 | 0 | 110.7 | Q125 A129 | Q125-K127 VanDerWaalsContact C-N 3.3Å; Q125-K127 PolarHBondContact O-N 3.27Å; K127-A129 PolarHBondContact O-N 3.16Å; K127-A129 VanDerWaalsContact O-N 3.14Å | ||
| 128 | R | 45 | Very low | 51.4 | Low | 225 Ų | 225 | 116.6 Ų | 116.6 | 85% | 0.849 | 63% | 0.63 | S | S | * | * | trans | -40.7 | 121.8 | 176.3 | -79.3 | 178.7 | 163.3 | 97.9 | -8 | 108.7 | A126 N130 | A126-R128 PolarHBondContact O-N 3.38Å; R128-N130 WeakPolarHBondContact O-CA 3.29Å; R128-N130 PolarHBondContact O-N 3.33Å; R128-N130 PolarHBondContact O-ND2 3.29Å | ||
| 129 | A | 50.8 | Low | 52.6 | Low | 69 Ų | 69 | 112.2 Ų | 112.2 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | trans | -52.1 | 115.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | K127 L131 | K127-A129 PolarHBondContact O-N 3.16Å; K127-A129 VanDerWaalsContact O-N 3.14Å; A129-L131 PolarHBondContact O-N 2.88Å | ||
| 130 | N | 50.8 | Low | 54 | Low | 101 Ų | 101 | 111.6 Ų | 111.6 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | trans | -72.2 | 97 | -152.8 | -106.4 | -128.6 | 0 | 0 | 0 | 111 | R128 N132 | R128-N130 WeakPolarHBondContact O-CA 3.29Å; R128-N130 PolarHBondContact O-N 3.33Å; R128-N130 PolarHBondContact O-ND2 3.29Å; N130-N132 PolarHBondContact O-N 3.15Å | ||
| 131 | L | 57.2 | Low | 55.4 | Low | 93 Ų | 93 | 108.2 Ų | 108.2 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | trans | -73.7 | 46 | 166 | -51.6 | -168.8 | 0 | 0 | 0 | 110.2 | A129 L133 W342 I346 | A129-L131 PolarHBondContact O-N 2.88Å; L131-L133 PolarHBondContact O-N 2.97Å; L131-L133 VanDerWaalsContact O-N 3.15Å; L131-W342 HydrophobicContact CB-CZ2 4.21Å; L131-W342 HydrophobicContact CD2-CZ2 4.18Å; L131-I346 HydrophobicContact CD1-CD1 4.18Å; L131-I346 HydrophobicContact CD2-CD1 3.62Å; L131-I346 HydrophobicContact CD2-CG1 3.63Å | ||
| 132 | N | 63.5 | Low | 55.8 | Low | 57 Ų | 57 | 104.8 Ų | 104.8 | 31% | 0.305 | 55% | 0.552 | S | S | . | * | trans | -65.3 | 117.1 | 179 | -179.5 | 1.5 | 0 | 0 | 0 | 107.7 | N130 E134 I135 | N130-N132 PolarHBondContact O-N 3.15Å; N132-E134 PolarHBondContact ND2-OE2 3.15Å; N132-E134 PolarHBondContact O-N 3.5Å; N132-E134 VanDerWaalsContact O-N 3.15Å; N132-E134 WeakPolarHBondContact OD1-CB 3.46Å; N132-E134 PolarHBondContact OD1-N 3.17Å; N132-I135 HydrophobicContact CB-CD1 4.04Å; N132-I135 HydrophobicContact CB-CG1 4.14Å; N132-I135 WeakPolarHBondContact O-CB 3.18Å; N132-I135 PolarHBondContact O-N 3.37Å | ||
| 133 | L | 63.2 | Low | 56.4 | Low | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -18.2 | -179.2 | -61.3 | 177.4 | 0 | 0 | 0 | 112 | L131 I135 L136 R137 | L131-L133 PolarHBondContact O-N 2.97Å; L131-L133 VanDerWaalsContact O-N 3.15Å; L133-I135 VanDerWaalsContact C-N 3.32Å; L133-L136 HydrophobicContact CD2-CD1 4.18Å; L133-L136 PolarHBondContact O-N 3.42Å; L133-R137 WeakPolarHBondContact O-CB 3.34Å; L133-R137 PolarHBondContact O-N 2.81Å |
| 134 | E | 66.8 | Low | 56.1 | Low | 105 Ų | 105 | 102.8 Ų | 102.8 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 165.6 | -170.5 | -177.7 | -162.2 | 0 | 0 | 112.4 | N132 R137 N138 | N132-E134 PolarHBondContact ND2-OE2 3.15Å; N132-E134 PolarHBondContact O-N 3.5Å; N132-E134 VanDerWaalsContact O-N 3.15Å; N132-E134 WeakPolarHBondContact OD1-CB 3.46Å; N132-E134 PolarHBondContact OD1-N 3.17Å; E134-R137 PolarHBondContact O-N 3.39Å; E134-N138 VanDerWaalsContact O-CB 3.28Å; E134-N138 WeakPolarHBondContact O-CB 3.46Å; E134-N138 PolarHBondContact O-N 3.41Å; E134-N138 PolarHBondContact O-ND2 3.12Å; E134-N138 PolarHBondContact O-OD1 2.79Å |
| 135 | I | 66.1 | Low | 55.9 | Low | 79 Ų | 79 | 106 Ų | 106 | 41% | 0.405 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.7 | -40.2 | 176.8 | -58.9 | 170.5 | 0 | 0 | 0 | 109.9 | N132 L133 L139 | N132-I135 HydrophobicContact CB-CD1 4.04Å; N132-I135 HydrophobicContact CB-CG1 4.14Å; N132-I135 WeakPolarHBondContact O-CB 3.18Å; N132-I135 PolarHBondContact O-N 3.37Å; L133-I135 VanDerWaalsContact C-N 3.32Å; I135-L139 HydrophobicContact CG2-CD1 4.11Å; I135-L139 WeakPolarHBondContact O-CB 3.18Å; I135-L139 VanDerWaalsContact O-CG 3.25Å; I135-L139 WeakPolarHBondContact O-CG 3.48Å; I135-L139 PolarHBondContact O-N 3.32Å |
| 136 | L | 67.6 | Low | 55.5 | Low | 28 Ų | 28 | 102.6 Ų | 102.6 | 15% | 0.147 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 171.8 | -88.4 | -177.6 | 0 | 0 | 0 | 111.8 | L133 N138 L139 L140 W342 | L133-L136 HydrophobicContact CD2-CD1 4.18Å; L133-L136 PolarHBondContact O-N 3.42Å; L136-N138 VanDerWaalsContact C-N 3.27Å; L136-N138 PolarHBondContact O-N 3.34Å; L136-L139 PolarHBondContact O-N 2.94Å; L136-L140 WeakPolarHBondContact O-CB 3.33Å; L136-L140 WeakPolarHBondContact O-CG 3.43Å; L136-L140 PolarHBondContact O-N 3.35Å; L136-W342 HydrophobicContact CD1-CD2 4.13Å; L136-W342 HydrophobicContact CD1-CE3 4Å; L136-W342 HydrophobicContact CD1-CH2 3.51Å; L136-W342 HydrophobicContact CD1-CZ2 3.61Å; L136-W342 HydrophobicContact CD1-CZ3 3.72Å; L136-W342 HydrophobicContact CD2-CB 4.27Å; L136-W342 HydrophobicContact CD2-CD2 3.62Å; L136-W342 HydrophobicContact CD2-CE3 3.96Å; L136-W342 HydrophobicContact CD2-CG 3.78Å; L136-W342 HydrophobicContact CD2-CZ2 4.45Å; L136-W342 HydrophobicContact CG-CD2 3.92Å; L136-W342 HydrophobicContact CG-CE3 4.28Å; L136-W342 HydrophobicContact CG-CG 4.42Å; L136-W342 HydrophobicContact CG-CH2 4.21Å; L136-W342 HydrophobicContact CG-CZ2 3.81Å; L136-W342 HydrophobicContact CG-CZ3 4.43Å |
| 137 | R | 67.9 | Low | 55.4 | Low | 177 Ų | 177 | 106.2 Ų | 106.2 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -55.8 | -44.9 | 176.3 | -176.8 | -176.3 | -178.5 | -179 | 1.1 | 110.6 | L133 E134 L140 N141 | L133-R137 WeakPolarHBondContact O-CB 3.34Å; L133-R137 PolarHBondContact O-N 2.81Å; E134-R137 PolarHBondContact O-N 3.39Å; R137-L140 PolarHBondContact O-N 3.27Å; R137-N141 WeakPolarHBondContact O-CB 3.46Å; R137-N141 PolarHBondContact O-N 2.86Å; R137-N141 PolarHBondContact O-ND2 2.72Å |
| 138 | N | 70.4 | Confident | 54.8 | Low | 75 Ų | 75 | 102.2 Ų | 102.2 | 40% | 0.401 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70 | -43.7 | 178.6 | -64.4 | -7.3 | 0 | 0 | 0 | 110.3 | E134 L136 L140 N141 S142 | E134-N138 VanDerWaalsContact O-CB 3.28Å; E134-N138 WeakPolarHBondContact O-CB 3.46Å; E134-N138 PolarHBondContact O-N 3.41Å; E134-N138 PolarHBondContact O-ND2 3.12Å; E134-N138 PolarHBondContact O-OD1 2.79Å; L136-N138 VanDerWaalsContact C-N 3.27Å; L136-N138 PolarHBondContact O-N 3.34Å; N138-L140 PolarHBondContact O-N 3.35Å; N138-N141 PolarHBondContact O-N 2.82Å; N138-N141 VanDerWaalsContact O-N 3.09Å; N138-S142 WeakPolarHBondContact O-CA 3.13Å; N138-S142 WeakPolarHBondContact O-CB 3.47Å; N138-S142 PolarHBondContact O-N 3.21Å; N138-S142 PolarHBondContact O-OG 2.97Å; N138-S142 VanDerWaalsContact O-OG 3.08Å |
| 139 | L | 71.5 | Confident | 54.4 | Low | 64 Ų | 64 | 95 Ų | 95 | 34% | 0.335 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.5 | -31.4 | 172.2 | -74.7 | 169.5 | 0 | 0 | 0 | 113.2 | I135 L136 R338 | I135-L139 HydrophobicContact CG2-CD1 4.11Å; I135-L139 WeakPolarHBondContact O-CB 3.18Å; I135-L139 VanDerWaalsContact O-CG 3.25Å; I135-L139 WeakPolarHBondContact O-CG 3.48Å; I135-L139 PolarHBondContact O-N 3.32Å; L136-L139 PolarHBondContact O-N 2.94Å; L139-R338 WeakPolarHBondContact O-CD 3.37Å; L139-R338 PolarHBondContact O-NH1 3.1Å |
| 140 | L | 67.4 | Low | 53.6 | Low | 60 Ų | 60 | 101.8 Ų | 101.8 | 31% | 0.314 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -82.9 | -15.4 | 177.7 | -68.5 | 170.8 | 0 | 0 | 0 | 114.5 | L136 R137 N138 I330 R335 V339 | L136-L140 WeakPolarHBondContact O-CB 3.33Å; L136-L140 WeakPolarHBondContact O-CG 3.43Å; L136-L140 PolarHBondContact O-N 3.35Å; R137-L140 PolarHBondContact O-N 3.27Å; N138-L140 PolarHBondContact O-N 3.35Å; L140-I330 WeakPolarHBondContact O-CD1 3.45Å; L140-R335 HydrophobicContact CD2-CB 3.83Å; L140-R335 HydrophobicContact CD2-CG 3.63Å; L140-V339 HydrophobicContact CD2-CG2 4.22Å |
| 141 | N | 68.2 | Low | 52.6 | Low | 111 Ų | 111 | 100.6 Ų | 100.6 | 59% | 0.594 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -126.7 | -18.7 | -174 | -67.3 | -75.2 | 0 | 0 | 0 | 115.2 | R137 N138 S143 I330 | R137-N141 WeakPolarHBondContact O-CB 3.46Å; R137-N141 PolarHBondContact O-N 2.86Å; R137-N141 PolarHBondContact O-ND2 2.72Å; N138-N141 PolarHBondContact O-N 2.82Å; N138-N141 VanDerWaalsContact O-N 3.09Å; N141-S143 PolarHBondContact O-N 2.85Å; N141-I330 VanDerWaalsContact C-CD1 3.45Å |
| 142 | S | 47.1 | Very low | 51.7 | Low | 44 Ų | 44 | 104.8 Ų | 104.8 | 31% | 0.308 | 60% | 0.603 | S | S | . | * | trans | -79 | 103.5 | -179.4 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | N138 E144 R338 | N138-S142 WeakPolarHBondContact O-CA 3.13Å; N138-S142 WeakPolarHBondContact O-CB 3.47Å; N138-S142 PolarHBondContact O-N 3.21Å; N138-S142 PolarHBondContact O-OG 2.97Å; N138-S142 VanDerWaalsContact O-OG 3.08Å; S142-E144 VanDerWaalsContact C-N 3.29Å; S142-E144 PolarHBondContact O-N 2.97Å; S142-R338 PolarHBondContact O-NH1 2.97Å | ||
| 143 | S | 45.4 | Very low | 50.1 | Low | 86 Ų | 86 | 104.8 Ų | 104.8 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | trans | -84.4 | 61.2 | 173.2 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | N141 | N141-S143 PolarHBondContact O-N 2.85Š| ||
| 144 | E | 41.1 | Very low | 49 | Very low | 166 Ų | 166 | 105.4 Ų | 105.4 | 78% | 0.776 | 64% | 0.635 | S | S | * | * | trans | -80.5 | 120.8 | 177.2 | -69.6 | -170.3 | 111.1 | 0 | 0 | 111.6 | S142 C146 | S142-E144 VanDerWaalsContact C-N 3.29Å; S142-E144 PolarHBondContact O-N 2.97Å; E144-C146 PolarHBondContact O-N 3.45Å | ||
| 145 | S | 37.5 | Very low | 47.6 | Very low | 113 Ų | 113 | 111.3 Ų | 111.3 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | trans | -76 | 105.8 | 178.4 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | M147 | S145-M147 VanDerWaalsContact C-N 3.33Å; S145-M147 PolarHBondContact O-N 3.32Å | ||
| 146 | C | 32.2 | Very low | 46 | Very low | 120 Ų | 120 | 113.4 Ų | 113.4 | 81% | 0.811 | 67% | 0.674 | S | S | * | * | trans | -90.7 | 56.2 | 179.2 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | E144 | E144-C146 PolarHBondContact O-N 3.45Š| ||
| 147 | M | 37.1 | Very low | 44.3 | Very low | 177 Ų | 177 | 123.3 Ų | 123.3 | 87% | 0.872 | 71% | 0.709 | S | S | * | * | trans | -135.8 | 55.4 | 177.1 | -73.1 | -66.4 | -173.2 | 0 | 0 | 113.3 | S145 | S145-M147 VanDerWaalsContact C-N 3.33Å; S145-M147 PolarHBondContact O-N 3.32Å | ||
| 148 | A | 33.7 | Very low | 42.5 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | trans | -165.8 | 152 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 149 | G | 35.9 | Very low | 41 | Very low | 73 Ų | 73 | 121.2 Ų | 121.2 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -91.6 | 170.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 150 | Q | 35 | Very low | 38.9 | Very low | 211 Ų | 211 | 126.9 Ų | 126.9 | 99% | 0.986 | 76% | 0.755 | S | S | * | * | trans | 74.3 | 97.9 | 138.8 | -157.8 | 168.4 | 17.2 | 0 | 0 | 118.6 | ||||
| 151 | G | 29.9 | Very low | 37.1 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | -178.7 | 107.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 152 | N | 38.6 | Very low | 35.5 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 97% | 0.973 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 127.8 | 170.4 | -78.3 | -17.7 | 0 | 0 | 0 | 110.2 | ||||
| 153 | G | 29.6 | Very low | 34.6 | Very low | 57 Ų | 57 | 144.9 Ų | 144.9 | 59% | 0.588 | 82% | 0.821 | S | S | * | * | trans | -163.7 | 35.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 118 | R155 | G153-R155 PolarHBondContact O-N 2.92Å; G153-R155 VanDerWaalsContact O-N 3.12Å | ||
| 154 | A | 40.9 | Very low | 33.8 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | trans | -62 | 114.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 155 | R | 37.1 | Very low | 33.5 | Very low | 229 Ų | 229 | 144.1 Ų | 144.1 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -137.4 | 136.5 | 173.4 | -59.7 | -170.4 | -169.5 | -76.1 | -1.3 | 110.1 | G153 | G153-R155 PolarHBondContact O-N 2.92Å; G153-R155 VanDerWaalsContact O-N 3.12Å | ||
| 156 | S | 32 | Very low | 33.2 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -83.1 | 163.2 | -169.9 | -168 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 157 | W | 31.7 | Very low | 33.4 | Very low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | trans | -59.8 | 152.2 | 173.9 | -77.7 | 15.4 | 0 | 0 | 0 | 114.3 | ||||
| 158 | A | 30 | Very low | 33.2 | Very low | 83 Ų | 83 | 146.7 Ų | 146.7 | 69% | 0.686 | 82% | 0.824 | S | S | * | * | trans | -147 | 127.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 159 | P | 39.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -83.6 | 121.5 | 175.2 | 31 | -29.9 | 0 | 0 | 0 | 110.7 | ||||
| 160 | Q | 27.8 | Very low | 33.3 | Very low | 184 Ų | 184 | 159.9 Ų | 159.9 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -88.2 | 139.7 | 176.4 | -80.2 | -65.3 | -15.5 | 0 | 0 | 112.2 | ||||
| 161 | R | 29.2 | Very low | 33.1 | Very low | 234 Ų | 234 | 153.6 Ų | 153.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -117.9 | 145.3 | -179.9 | -160 | -178.6 | -170.2 | -153.7 | 4.3 | 110.3 | ||||
| 162 | S | 35 | Very low | 33.2 | Very low | 118 Ų | 118 | 159.6 Ų | 159.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -52.8 | 136 | -160.3 | -39.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 163 | R | 27.9 | Very low | 33 | Very low | 240 Ų | 240 | 154.8 Ų | 154.8 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -139.2 | 118.9 | 140 | -79.1 | -174.4 | 165.5 | -168.2 | -5.7 | 106.2 | ||||
| 164 | S | 28.7 | Very low | 33 | Very low | 117 Ų | 117 | 160.8 Ų | 160.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | 75.3 | 101.6 | 62 | -168 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 165 | S | 35 | Very low | 32.4 | Very low | 119 Ų | 119 | 160.7 Ų | 160.7 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -145.6 | 89.3 | 169.1 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 166 | E | 31.2 | Very low | 32.3 | Very low | 147 Ų | 147 | 157.2 Ų | 157.2 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -62.7 | 148.3 | 168.3 | 171.2 | 60.1 | -126.2 | 0 | 0 | 110.8 | ||||
| 167 | L | 36.1 | Very low | 32.6 | Very low | 143 Ų | 143 | 163 Ų | 163 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | 154.4 | 97.7 | 143.2 | -86 | 171.2 | 0 | 0 | 0 | 111.8 | ||||
| 168 | H | 31.5 | Very low | 32.5 | Very low | 175 Ų | 175 | 157.9 Ų | 157.9 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | -171.6 | 95.4 | 117.7 | -105.7 | 80.1 | 0 | 0 | 0 | 112.4 | |||||
| 169 | R | 37.8 | Very low | 32.8 | Very low | 218 Ų | 218 | 163 Ų | 163 | 82% | 0.823 | 81% | 0.806 | S | S | * | * | trans | -81.8 | 120.5 | 174 | 176.4 | -159.1 | -100.1 | -132.3 | 0.4 | 110.7 | ||||
| 170 | R | 34.2 | Very low | 32.8 | Very low | 235 Ų | 235 | 163.2 Ų | 163.2 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -126.9 | 100.8 | 149.9 | -64 | -160.9 | 95.1 | 172.4 | 6.4 | 109.9 | ||||
| 171 | S | 32 | Very low | 32.9 | Very low | 79 Ų | 79 | 160.4 Ų | 160.4 | 55% | 0.552 | 80% | 0.803 | S | S | * | * | trans | -87 | 135.8 | 170.8 | -177 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 172 | F | 30.7 | Very low | 33.1 | Very low | 202 Ų | 202 | 158.6 Ų | 158.6 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | -119.4 | 132.3 | 148.6 | -92.6 | -83.7 | 0 | 0 | 0 | 107 | ||||
| 173 | A | 35.3 | Very low | 32.9 | Very low | 81 Ų | 81 | 156.4 Ų | 156.4 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -137.1 | 164.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 174 | E | 28.9 | Very low | 33.2 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | 89.3 | 149.6 | 155.3 | -155.4 | 139.1 | -146 | 0 | 0 | 118.6 | ||||
| 175 | S | 29.5 | Very low | 33.5 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 65 | 124.3 | -166.6 | -116 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 176 | L | 34 | Very low | 33.7 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | cis | -136.1 | 160.7 | 22 | -78.2 | 161.2 | 0 | 0 | 0 | 113.2 | ||||
| 177 | R | 39.5 | Very low | 33.9 | Very low | 244 Ų | 244 | 153 Ų | 153 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -100 | 116.9 | 170.4 | -63.5 | 175.5 | -179.5 | 156 | 1.2 | 110 | ||||
| 178 | V | 29.7 | Very low | 33.8 | Very low | 127 Ų | 127 | 154.6 Ų | 154.6 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -142.1 | 144.1 | 168.6 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 179 | F | 35.7 | Very low | 33.9 | Very low | 191 Ų | 191 | 151.7 Ų | 151.7 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76 | 145.2 | 179.5 | -58.7 | -98.8 | 0 | 0 | 0 | 112.6 | ||
| 180 | P | 38.3 | Very low | 33.7 | Very low | 129 Ų | 129 | 146 Ų | 146 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 119.5 | 154.9 | 33.3 | -26.7 | 0 | 0 | 0 | 110.7 | ||
| 181 | T | 31 | Very low | 33.5 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 141.2 | 168.7 | 48.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 182 | Q | 33.5 | Very low | 33.4 | Very low | 197 Ų | 197 | 143 Ų | 143 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | 58.5 | 110.5 | 146.6 | -170.8 | 177.6 | 51.9 | 0 | 0 | 118.7 | ||||
| 183 | G | 31 | Very low | 33.4 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 166.7 | 114.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 184 | A | 34.2 | Very low | 33.1 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 93% | 0.934 | 80% | 0.804 | S | S | * | * | trans | 43.9 | 113.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 185 | N | 34.2 | Very low | 33.1 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | -124 | 129.2 | 172.6 | -178.5 | -9.9 | 0 | 0 | 0 | 110 | N187 | N185-N187 PolarHBondContact OD1-N 3.27Å; N185-N187 PolarHBondContact OD1-ND2 2.94Å | ||
| 186 | L | 40.2 | Very low | 33 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | trans | -140.7 | 73.2 | 163 | -75 | -178.7 | 0 | 0 | 0 | 110.1 | ||||
| 187 | N | 34.8 | Very low | 33.4 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -74.5 | 131.3 | 165.9 | -97.7 | -81.6 | 0 | 0 | 0 | 111.2 | N185 S189 | N185-N187 PolarHBondContact OD1-N 3.27Å; N185-N187 PolarHBondContact OD1-ND2 2.94Å; N187-S189 PolarHBondContact O-N 3.49Å | ||
| 188 | L | 34.4 | Very low | 33 | Very low | 176 Ų | 176 | 139 Ų | 139 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -85.3 | 87 | 165.9 | -76 | 169.1 | 0 | 0 | 0 | 109.5 | A190 | L188-A190 PolarHBondContact O-N 3.4Š| ||
| 189 | S | 33.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -76.7 | 112.6 | 175.6 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | N187 | N187-S189 PolarHBondContact O-N 3.49Š| ||
| 190 | A | 33.2 | Very low | 32.9 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -84.3 | 130.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L188 | L188-A190 PolarHBondContact O-N 3.4Š| ||
| 191 | S | 29.4 | Very low | 32.5 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -172.1 | 156.4 | 144 | -153.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 192 | L | 29.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 75.6 | 106.3 | 144.2 | -134.6 | 70.2 | 0 | 0 | 0 | 121.2 | ||||
| 193 | L | 32.3 | Very low | 32.9 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 45.2 | 149 | 131.7 | -51.7 | 177.3 | 0 | 0 | 0 | 120 | ||||
| 194 | Q | 28.6 | Very low | 33.1 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | 174 | 136.8 | 71.8 | -177.8 | 59.7 | 18.1 | 0 | 0 | 110.8 | |||||
| 195 | E | 28 | Very low | 33.1 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | 65 | 158.2 | 166.3 | -68.5 | -37.2 | 111.8 | 0 | 0 | 124.8 | ||||
| 196 | R | 28.8 | Very low | 33.1 | Very low | 225 Ų | 225 | 139.9 Ų | 139.9 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | trans | -110.8 | -167.8 | 163.8 | -54.9 | -171.6 | -71.5 | 150.4 | -5.2 | 108.2 | ||||
| 197 | P | 42.6 | Very low | 32.8 | Very low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -135.1 | -157.3 | -7.7 | 34.7 | -10.7 | 0 | 0 | 0 | 113.9 | ||||
| 198 | V | 31.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 101.8 | 123.5 | 156.9 | -40.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 199 | E | 30.8 | Very low | 33 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | trans | 36.1 | 134.5 | 134.4 | -57.7 | -56.2 | 127.3 | 0 | 0 | 122.8 | ||||
| 200 | G | 31.7 | Very low | 33 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | 135.7 | 92.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 201 | L | 29.5 | Very low | 33.2 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | 95.2 | 98.1 | 58.4 | -174.6 | 71.9 | 0 | 0 | 0 | 113.1 | |||||
| 202 | L | 37.7 | Very low | 33.5 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | 68.8 | 159 | 167.2 | -55.6 | 172.4 | 0 | 0 | 0 | 115.3 | ||||
| 203 | H | 36.1 | Very low | 33.8 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | cis | -154.8 | 120.5 | 24.6 | -176.5 | -91.7 | 0 | 0 | 0 | 113.5 | ||||
| 204 | L | 35.5 | Very low | 34.8 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | trans | 46 | 157.9 | 151.4 | -81.3 | 77.1 | 0 | 0 | 0 | 122.2 | ||||
| 205 | S | 33 | Very low | 35 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | cis | 171.7 | 149.5 | -32.4 | -106.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 206 | L | 35.3 | Very low | 35.3 | Very low | 167 Ų | 167 | 142 Ų | 142 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | 65.6 | 155.3 | 145.6 | -65.5 | 166.6 | 0 | 0 | 0 | 118.1 | ||||
| 207 | S | 33.5 | Very low | 35.5 | Very low | 98 Ų | 98 | 138 Ų | 138 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | cis | -160.4 | 143.6 | -4.7 | 151.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 208 | S | 35.6 | Very low | 35.3 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | 16.4 | 132.7 | 137.2 | -94.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 209 | S | 37.9 | Very low | 35.9 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | 79.2 | 149.2 | 86.8 | -52.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 210 | D | 33.2 | Very low | 36 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -165 | 179.1 | -6.6 | -135.9 | -53.5 | 0 | 0 | 0 | 112.4 | ||||
| 211 | L | 37.1 | Very low | 36.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 60% | 0.597 | 76% | 0.762 | S | S | * | * | trans | 61.2 | 124 | 148 | -67.5 | 169.7 | 0 | 0 | 0 | 124.2 | ||||
| 212 | R | 36.3 | Very low | 36.7 | Very low | 221 Ų | 221 | 139.5 Ų | 139.5 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | 93.3 | 158.7 | 130.7 | -75.1 | 172.5 | 177.7 | 136 | 6.3 | 123 | ||||
| 213 | L | 34.3 | Very low | 36.4 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -104.6 | -172.3 | -168.3 | -70.6 | 163.5 | 0 | 0 | 0 | 111 | ||||
| 214 | P | 53.5 | Low | 36.3 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | cis | -133.3 | 173.1 | -44 | 33.8 | -17.8 | 0 | 0 | 0 | 113.1 | ||||
| 215 | L | 33.8 | Very low | 36.4 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | -172.5 | 178.4 | 127.8 | -127.5 | 65.9 | 0 | 0 | 0 | 115.9 | |||||
| 216 | R | 33.2 | Very low | 36.7 | Very low | 230 Ų | 230 | 132.2 Ų | 132.2 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -119 | 135.1 | -161.1 | 149.9 | -162.2 | 176.5 | 151.7 | -2.4 | 112.1 | ||||
| 217 | V | 34.8 | Very low | 37.6 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -150.2 | 157.7 | 151.5 | -175.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 218 | K | 38.5 | Very low | 38.5 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -139.4 | 135.9 | 170.4 | -111.9 | -175.5 | 176.5 | -177.7 | 0 | 109.2 | ||||
| 219 | P | 42.4 | Very low | 39.3 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | -145.7 | -170.9 | 99.6 | 38.7 | -22.1 | 0 | 0 | 0 | 112.7 | |||||
| 220 | G | 32.2 | Very low | 40 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | cis | 149.6 | 135.4 | -19.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 221 | I | 40.7 | Very low | 40.6 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | 82.1 | 126.5 | 156.5 | -54 | 177.4 | 0 | 0 | 0 | 120.8 | ||||
| 222 | S | 36.4 | Very low | 40.8 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 65.8 | 142.6 | 153 | 69.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 223 | G | 32 | Very low | 41 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 154 | 41.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 224 | G | 33.9 | Very low | 41 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 69.6 | 175.6 | 168 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 225 | S | 36.8 | Very low | 40.3 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | cis | -157.7 | 144.6 | -11.3 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 226 | G | 39.8 | Very low | 40.4 | Very low | 66 Ų | 66 | 130.6 Ų | 130.6 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | trans | 172.2 | 148.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 227 | P | 53 | Low | 41.3 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -91 | 174.4 | -173.2 | 37 | -37.1 | 0 | 0 | 0 | 115.6 | ||||
| 228 | P | 53.1 | Low | 41.6 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -110 | -151.9 | -158.4 | 48.4 | -39.6 | 0 | 0 | 0 | 113.8 | ||||
| 229 | P | 53.5 | Low | 41.9 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -130.8 | 171.5 | -117 | 37 | -15.2 | 0 | 0 | 0 | 117.3 | |||||
| 230 | P | 52.6 | Low | 42.3 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 162.3 | 156.8 | 35 | -28.2 | 0 | 0 | 0 | 112.9 | ||
| 231 | P | 45 | Very low | 42.7 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 159.6 | -160.7 | 33 | -37.2 | 0 | 0 | 0 | 116.4 | ||
| 232 | K | 42.2 | Very low | 42.9 | Very low | 198 Ų | 198 | 130.4 Ų | 130.4 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 127.2 | 172.3 | -65.8 | 174 | 179.8 | 172.5 | 0 | 111.6 | ||
| 233 | P | 39.4 | Very low | 43.6 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 144 | 152.8 | 31.2 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 234 | H | 34.8 | Very low | 44.4 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 151.3 | -170.9 | -61.2 | -97 | 0 | 0 | 0 | 116.1 | S236 | H234-S236 PolarHBondContact O-N 3.15Š|
| 235 | A | 37.6 | Very low | 45.3 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -58.2 | 108.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 236 | S | 37.7 | Very low | 46.1 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -69.2 | 139.7 | 164.5 | 51 | 0 | 0 | 0 | 0 | 109.6 | H234 | H234-S236 PolarHBondContact O-N 3.15Š| ||
| 237 | V | 50.3 | Low | 46.8 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | -41.8 | 135.7 | 179.7 | 178.1 | 0 | 0 | 0 | 0 | 111 | R239 | V237-R239 VanDerWaalsContact C-N 3.27Å; V237-R239 PolarHBondContact O-N 3.31Å | ||
| 238 | P | 41.7 | Very low | 47.1 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -62.3 | 93.5 | 168.7 | 27 | -33.7 | 0 | 0 | 0 | 108.6 | R240 | P238-R240 PolarHBondContact O-N 3.2Š| ||
| 239 | R | 44.8 | Very low | 47.4 | Very low | 237 Ų | 237 | 138.9 Ų | 138.9 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | trans | -55.8 | 118 | 173.6 | -67.7 | 178.6 | 101.8 | 176.4 | 5.9 | 105.8 | V237 | V237-R239 VanDerWaalsContact C-N 3.27Å; V237-R239 PolarHBondContact O-N 3.31Å | ||
| 240 | R | 50.8 | Low | 47.6 | Very low | 228 Ų | 228 | 138.9 Ų | 138.9 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -45.3 | 134.3 | 175.9 | -60.7 | 179.5 | -178.9 | -159 | -0.9 | 107.8 | P238 S242 | P238-R240 PolarHBondContact O-N 3.2Å; R240-S242 PolarHBondContact O-N 3.46Å | ||
| 241 | P | 40.9 | Very low | 47.9 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | trans | -47 | 121.3 | 171 | -27.2 | 34.8 | 0 | 0 | 0 | 108 | L243 | P241-L243 PolarHBondContact O-N 2.87Š| ||
| 242 | S | 44.9 | Very low | 48.6 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | trans | -58.1 | 116.6 | -177.8 | 37.5 | 0 | 0 | 0 | 0 | 106.9 | R240 N244 | R240-S242 PolarHBondContact O-N 3.46Å; S242-N244 PolarHBondContact O-N 3.46Å; S242-N244 PolarHBondContact O-ND2 3.42Å | ||
| 243 | L | 51.2 | Low | 49.5 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -63.4 | 101.4 | -171.5 | -168.1 | 82.7 | 0 | 0 | 0 | 107.5 | P241 R245 | P241-L243 PolarHBondContact O-N 2.87Å; L243-R245 HydrophobicContact CD2-CB 4.32Å; L243-R245 PolarHBondContact O-N 3.46Å | ||
| 244 | N | 49.6 | Very low | 50.4 | Low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | trans | -69 | 73.7 | 164.2 | -86.7 | -84.7 | 0 | 0 | 0 | 106.5 | S242 S246 | S242-N244 PolarHBondContact O-N 3.46Å; S242-N244 PolarHBondContact O-ND2 3.42Å; N244-S246 WeakPolarHBondContact O-CA 3.31Å; N244-S246 PolarHBondContact O-N 3.04Å | ||
| 245 | R | 52.8 | Low | 51.7 | Low | 213 Ų | 213 | 130 Ų | 130 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | trans | -50.5 | 111.6 | 179.8 | 178.7 | -176.3 | 178.8 | 110 | -2 | 106.7 | L243 K247 | L243-R245 HydrophobicContact CD2-CB 4.32Å; L243-R245 PolarHBondContact O-N 3.46Å; R245-K247 PolarHBondContact O-N 3.2Å | ||
| 246 | S | 52.2 | Low | 52.8 | Low | 53 Ų | 53 | 131.4 Ų | 131.4 | 37% | 0.371 | 66% | 0.661 | S | S | . | * | trans | -61.3 | 125.8 | -152.8 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | N244 S248 D249 | N244-S246 WeakPolarHBondContact O-CA 3.31Å; N244-S246 PolarHBondContact O-N 3.04Å; S246-S248 PolarHBondContact O-N 3.33Å; S246-S248 WeakPolarHBondContact OG-CB 3.35Å; S246-S248 PolarHBondContact OG-N 3.13Å; S246-S248 PolarHBondContact OG-OG 2.99Å; S246-D249 WeakPolarHBondContact CB-OD2 3.41Å; S246-D249 PolarHBondContact O-N 2.84Å; S246-D249 VanDerWaalsContact O-N 3.17Å | ||
| 247 | K | 55.3 | Low | 53.9 | Low | 202 Ų | 202 | 128.3 Ų | 128.3 | 88% | 0.878 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -10.4 | 170.2 | -70.9 | -177.5 | 176.3 | 178.6 | 0 | 111.6 | R245 S251 | R245-K247 PolarHBondContact O-N 3.2Å; K247-S251 PolarHBondContact O-OG 2.95Å |
| 248 | S | 59.2 | Low | 54.3 | Low | 47 Ų | 47 | 124.2 Ų | 124.2 | 33% | 0.329 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -76 | -28.7 | 170.3 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | S246 L250 S251 E252 | S246-S248 PolarHBondContact O-N 3.33Å; S246-S248 WeakPolarHBondContact OG-CB 3.35Å; S246-S248 PolarHBondContact OG-N 3.13Å; S246-S248 PolarHBondContact OG-OG 2.99Å; S248-L250 PolarHBondContact O-N 2.82Å; S248-S251 PolarHBondContact O-N 3.3Å; S248-S251 PolarHBondContact O-OG 3.17Å; S248-E252 WeakPolarHBondContact O-CB 3.49Å; S248-E252 PolarHBondContact O-N 3.2Å |
| 249 | D | 58.3 | Low | 55.4 | Low | 88 Ų | 88 | 121 Ų | 121 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.5 | -15.9 | -171 | -90.6 | -59.2 | 0 | 0 | 0 | 114.4 | S246 R253 | S246-D249 WeakPolarHBondContact CB-OD2 3.41Å; S246-D249 PolarHBondContact O-N 2.84Å; S246-D249 VanDerWaalsContact O-N 3.17Å; D249-R253 VanDerWaalsContact O-CZ 3.23Å; D249-R253 PolarHBondContact O-NE 2.73Å; D249-R253 PolarHBondContact O-NH2 2.78Å |
| 250 | L | 57.7 | Low | 56.4 | Low | 115 Ų | 115 | 114.3 Ų | 114.3 | 60% | 0.602 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -98.8 | -49.9 | 170.9 | -70.2 | 173.6 | 0 | 0 | 0 | 111.3 | S248 E252 R253 Y254 | S248-L250 PolarHBondContact O-N 2.82Å; L250-E252 VanDerWaalsContact C-N 3.34Å; L250-E252 PolarHBondContact O-N 3.18Å; L250-R253 PolarHBondContact O-N 3.18Å; L250-R253 VanDerWaalsContact O-N 3.17Å; L250-Y254 WeakPolarHBondContact O-CD2 3.25Å; L250-Y254 PolarHBondContact O-N 2.98Å |
| 251 | S | 59.8 | Low | 57.3 | Low | 73 Ų | 73 | 107.1 Ų | 107.1 | 51% | 0.51 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.7 | -36.5 | -178.7 | 54 | 0 | 0 | 0 | 0 | 113.1 | K247 S248 R253 Y254 A255 | K247-S251 PolarHBondContact O-OG 2.95Å; S248-S251 PolarHBondContact O-N 3.3Å; S248-S251 PolarHBondContact O-OG 3.17Å; S251-R253 VanDerWaalsContact C-N 3.34Å; S251-R253 PolarHBondContact O-N 3.03Å; S251-Y254 PolarHBondContact O-N 2.75Å; S251-A255 WeakPolarHBondContact O-CB 3.44Å; S251-A255 PolarHBondContact O-N 3.41Å |
| 252 | E | 60.2 | Low | 58.7 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 36% | 0.36 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.5 | -33.4 | 175.8 | -168.7 | 179.6 | 156.7 | 0 | 0 | 112 | S248 L250 R256 | S248-E252 WeakPolarHBondContact O-CB 3.49Å; S248-E252 PolarHBondContact O-N 3.2Å; L250-E252 VanDerWaalsContact C-N 3.34Å; L250-E252 PolarHBondContact O-N 3.18Å; E252-R256 WeakPolarHBondContact O-CB 3.5Å; E252-R256 WeakPolarHBondContact O-CG 3.41Å; E252-R256 PolarHBondContact O-N 3.01Å; E252-R256 IonicContact OE1-CZ 3.98Å; E252-R256 IonicContact OE1-NH1 2.74Å; E252-R256 PolarHBondContact OE1-NH1 3.02Å; E252-R256 IonicContact OE1-NH2 3.13Å; E252-R256 PolarHBondContact OE1-NH2 3.06Å |
| 253 | R | 60.7 | Low | 60.3 | Low | 155 Ų | 155 | 110.5 Ų | 110.5 | 59% | 0.585 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75.2 | -38.4 | 173.9 | -84.6 | -174.5 | -70.1 | -174.5 | -5.2 | 112.6 | D249 L250 S251 A257 | D249-R253 VanDerWaalsContact O-CZ 3.23Å; D249-R253 PolarHBondContact O-NE 2.73Å; D249-R253 PolarHBondContact O-NH2 2.78Å; L250-R253 PolarHBondContact O-N 3.18Å; L250-R253 VanDerWaalsContact O-N 3.17Å; S251-R253 VanDerWaalsContact C-N 3.34Å; S251-R253 PolarHBondContact O-N 3.03Å; R253-A257 WeakPolarHBondContact O-CB 3.36Å; R253-A257 PolarHBondContact O-N 2.93Å |
| 254 | Y | 57.9 | Low | 61.1 | Low | 185 Ų | 185 | 109.2 Ų | 109.2 | 73% | 0.725 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.6 | -39.3 | 172 | -85 | -79 | 0 | 0 | 0 | 112.2 | L250 S251 A257 G258 | L250-Y254 WeakPolarHBondContact O-CD2 3.25Å; L250-Y254 PolarHBondContact O-N 2.98Å; S251-Y254 PolarHBondContact O-N 2.75Å; Y254-A257 PolarHBondContact O-N 3.5Å; Y254-G258 PolarHBondContact O-N 3.25Å; Y254-G258 VanDerWaalsContact O-N 3.15Å |
| 255 | A | 62.6 | Low | 62.2 | Low | 69 Ų | 69 | 103.8 Ų | 103.8 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S251 A259 | S251-A255 WeakPolarHBondContact O-CB 3.44Å; S251-A255 PolarHBondContact O-N 3.41Å; A255-A259 PolarHBondContact O-N 2.93Å |
| 256 | R | 59.9 | Low | 63.2 | Low | 140 Ų | 140 | 98.4 Ų | 98.4 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 171.2 | -75.2 | -163.5 | -175.3 | 100.7 | 15.5 | 112.3 | E252 G258 A259 D260 | E252-R256 WeakPolarHBondContact O-CB 3.5Å; E252-R256 WeakPolarHBondContact O-CG 3.41Å; E252-R256 PolarHBondContact O-N 3.01Å; E252-R256 IonicContact OE1-CZ 3.98Å; E252-R256 IonicContact OE1-NH1 2.74Å; E252-R256 PolarHBondContact OE1-NH1 3.02Å; E252-R256 IonicContact OE1-NH2 3.13Å; E252-R256 PolarHBondContact OE1-NH2 3.06Å; R256-G258 VanDerWaalsContact C-N 3.3Å; R256-G258 PolarHBondContact O-N 3.05Å; R256-A259 PolarHBondContact O-N 2.73Å; R256-A259 VanDerWaalsContact O-N 3.15Å; R256-D260 WeakPolarHBondContact O-CB 3.48Å; R256-D260 PolarHBondContact O-N 3.29Å |
| 257 | A | 60.2 | Low | 63.9 | Low | 48 Ų | 48 | 105.6 Ų | 105.6 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -39.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | R253 Y254 V261 | R253-A257 WeakPolarHBondContact O-CB 3.36Å; R253-A257 PolarHBondContact O-N 2.93Å; Y254-A257 PolarHBondContact O-N 3.5Å; A257-V261 WeakPolarHBondContact O-CB 3.12Å; A257-V261 WeakPolarHBondContact O-CG2 3.31Å; A257-V261 PolarHBondContact O-N 2.89Å; A257-V261 VanDerWaalsContact O-N 3.16Å |
| 258 | G | 59.8 | Low | 64.6 | Low | 32 Ų | 32 | 99.1 Ų | 99.1 | 33% | 0.33 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -56.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y254 R256 D260 V261 E262 | Y254-G258 PolarHBondContact O-N 3.25Å; Y254-G258 VanDerWaalsContact O-N 3.15Å; R256-G258 VanDerWaalsContact C-N 3.3Å; R256-G258 PolarHBondContact O-N 3.05Å; G258-D260 VanDerWaalsContact C-N 3.34Å; G258-D260 PolarHBondContact O-N 3.29Å; G258-V261 PolarHBondContact O-N 3.47Å; G258-E262 WeakPolarHBondContact O-CG 3.21Å; G258-E262 PolarHBondContact O-N 3.34Å |
| 259 | A | 64.4 | Low | 65.1 | Low | 51 Ų | 51 | 99.9 Ų | 99.9 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -34.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | A255 R256 R263 | A255-A259 PolarHBondContact O-N 2.93Å; R256-A259 PolarHBondContact O-N 2.73Å; R256-A259 VanDerWaalsContact O-N 3.15Å; A259-R263 WeakPolarHBondContact O-CB 3.39Å; A259-R263 PolarHBondContact O-N 2.99Å |
| 260 | D | 66.3 | Low | 65.2 | Low | 97 Ų | 97 | 99.8 Ų | 99.8 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.5 | -34.9 | 177.5 | -74.5 | -38.5 | 0 | 0 | 0 | 111.7 | R256 G258 F264 | R256-D260 WeakPolarHBondContact O-CB 3.48Å; R256-D260 PolarHBondContact O-N 3.29Å; G258-D260 VanDerWaalsContact C-N 3.34Å; G258-D260 PolarHBondContact O-N 3.29Å; D260-F264 WeakPolarHBondContact O-CB 3.46Å; D260-F264 PolarHBondContact O-N 3.32Å |
| 261 | V | 68.6 | Low | 65.6 | Low | 77 Ų | 77 | 98.6 Ų | 98.6 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.4 | -44.8 | 173.2 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | A257 G258 R263 F264 F265 | A257-V261 WeakPolarHBondContact O-CB 3.12Å; A257-V261 WeakPolarHBondContact O-CG2 3.31Å; A257-V261 PolarHBondContact O-N 2.89Å; A257-V261 VanDerWaalsContact O-N 3.16Å; G258-V261 PolarHBondContact O-N 3.47Å; V261-R263 VanDerWaalsContact C-N 3.33Å; V261-R263 PolarHBondContact O-N 3.49Å; V261-F264 WeakPolarHBondContact O-CB 3.46Å; V261-F264 PolarHBondContact O-N 3.15Å; V261-F265 HydrophobicContact CG1-CD2 3.68Å; V261-F265 HydrophobicContact CG1-CE2 3.39Å; V261-F265 HydrophobicContact CG1-CZ 4.44Å; V261-F265 VanDerWaalsContact O-CD2 3.24Å; V261-F265 WeakPolarHBondContact O-CD2 3.25Å; V261-F265 PolarHBondContact O-N 2.85Å |
| 262 | E | 71.1 | Confident | 65.3 | Low | 111 Ų | 111 | 98.3 Ų | 98.3 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 171.1 | -73.6 | 168.5 | -160.9 | 0 | 0 | 111.1 | G258 F264 F265 N266 | G258-E262 WeakPolarHBondContact O-CG 3.21Å; G258-E262 PolarHBondContact O-N 3.34Å; E262-F264 VanDerWaalsContact C-N 3.33Å; E262-F264 PolarHBondContact O-N 3.01Å; E262-F265 PolarHBondContact O-N 2.79Å; E262-N266 VanDerWaalsContact O-CB 3.29Å; E262-N266 WeakPolarHBondContact O-CB 3.45Å; E262-N266 PolarHBondContact O-N 2.85Å; E262-N266 PolarHBondContact O-ND2 3.38Å |
| 263 | R | 78 | Confident | 65.2 | Low | 185 Ų | 185 | 97 Ų | 97 | 70% | 0.698 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -36.2 | 177.5 | -172.1 | 178 | -133.5 | -74.2 | -2.8 | 112.3 | A259 V261 Y267 | A259-R263 WeakPolarHBondContact O-CB 3.39Å; A259-R263 PolarHBondContact O-N 2.99Å; V261-R263 VanDerWaalsContact C-N 3.33Å; V261-R263 PolarHBondContact O-N 3.49Å; R263-Y267 VanDerWaalsContact O-CB 3.24Å; R263-Y267 WeakPolarHBondContact O-CB 3.34Å; R263-Y267 PolarHBondContact O-N 2.98Å |
| 264 | F | 68.1 | Low | 65.1 | Low | 123 Ų | 123 | 95.8 Ų | 95.8 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -47.9 | 173.4 | 172.9 | -97 | 0 | 0 | 0 | 111.9 | D260 V261 E262 Y267 C268 | D260-F264 WeakPolarHBondContact O-CB 3.46Å; D260-F264 PolarHBondContact O-N 3.32Å; V261-F264 WeakPolarHBondContact O-CB 3.46Å; V261-F264 PolarHBondContact O-N 3.15Å; E262-F264 VanDerWaalsContact C-N 3.33Å; E262-F264 PolarHBondContact O-N 3.01Å; F264-Y267 PolarHBondContact O-N 2.79Å; F264-C268 PolarHBondContact O-N 3.2Å; F264-C268 PolarHBondContact O-SG 3Å |
| 265 | F | 72.6 | Confident | 64.9 | Low | 38 Ų | 38 | 88.9 Ų | 88.9 | 17% | 0.167 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 177.7 | -72.1 | -52.1 | 0 | 0 | 0 | 112.2 | V261 E262 Y267 C268 G269 L270 L275 | V261-F265 HydrophobicContact CG1-CD2 3.68Å; V261-F265 HydrophobicContact CG1-CE2 3.39Å; V261-F265 HydrophobicContact CG1-CZ 4.44Å; V261-F265 VanDerWaalsContact O-CD2 3.24Å; V261-F265 WeakPolarHBondContact O-CD2 3.25Å; V261-F265 PolarHBondContact O-N 2.85Å; E262-F265 PolarHBondContact O-N 2.79Å; F265-Y267 VanDerWaalsContact C-N 3.33Å; F265-Y267 PolarHBondContact O-N 2.85Å; F265-C268 CarbonylContact O-C 3.29Å; F265-C268 WeakPolarHBondContact O-CA 3.41Å; F265-C268 WeakPolarHBondContact O-CB 3.35Å; F265-C268 PolarHBondContact O-N 3.04Å; F265-G269 PolarHBondContact O-N 3.12Å; F265-L270 CarbonylContact C-O 3.6Å; F265-L270 VanDerWaalsContact C-O 3.29Å; F265-L270 HydrophobicContact CB-CB 4.22Å; F265-L270 HydrophobicContact CD1-CB 4.3Å; F265-L270 HydrophobicContact CD1-CD1 4.02Å; F265-L270 PolarHBondContact O-N 2.96Å; F265-L275 HydrophobicContact CD2-CD2 4.19Å; F265-L275 HydrophobicContact CE2-CD2 3.82Å; F265-L275 HydrophobicContact CZ-CD2 4.24Å |
| 266 | N | 73.3 | Confident | 64.5 | Low | 100 Ų | 100 | 92.8 Ų | 92.8 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 172.6 | -81.4 | -70.6 | 0 | 0 | 0 | 112.3 | E262 C268 G269 | E262-N266 VanDerWaalsContact O-CB 3.29Å; E262-N266 WeakPolarHBondContact O-CB 3.45Å; E262-N266 PolarHBondContact O-N 2.85Å; E262-N266 PolarHBondContact O-ND2 3.38Å; N266-C268 VanDerWaalsContact C-N 3.27Å; N266-C268 PolarHBondContact O-N 3.23Å; N266-G269 PolarHBondContact O-N 3.34Å |
| 267 | Y | 68.4 | Low | 64 | Low | 205 Ų | 205 | 89.5 Ų | 89.5 | 80% | 0.804 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -29.4 | 174.3 | 179.7 | -99.9 | 0 | 0 | 0 | 112.9 | R263 F264 F265 G269 | R263-Y267 VanDerWaalsContact O-CB 3.24Å; R263-Y267 WeakPolarHBondContact O-CB 3.34Å; R263-Y267 PolarHBondContact O-N 2.98Å; F264-Y267 PolarHBondContact O-N 2.79Å; F265-Y267 VanDerWaalsContact C-N 3.33Å; F265-Y267 PolarHBondContact O-N 2.85Å; Y267-G269 VanDerWaalsContact C-N 3.31Å |
| 268 | C | 69.6 | Low | 63.6 | Low | 65 Ų | 65 | 92.6 Ų | 92.6 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -82.1 | -6 | 172.2 | -63.5 | 0 | 0 | 0 | 0 | 113.7 | F264 F265 N266 L270 | F264-C268 PolarHBondContact O-N 3.2Å; F264-C268 PolarHBondContact O-SG 3Å; F265-C268 CarbonylContact O-C 3.29Å; F265-C268 WeakPolarHBondContact O-CA 3.41Å; F265-C268 WeakPolarHBondContact O-CB 3.35Å; F265-C268 PolarHBondContact O-N 3.04Å; N266-C268 VanDerWaalsContact C-N 3.27Å; N266-C268 PolarHBondContact O-N 3.23Å; C268-L270 HydrophobicContact CB-CD1 4.13Å; C268-L270 HydrophobicContact CB-CG 4.25Å |
| 269 | G | 69.8 | Low | 63.2 | Low | 64 Ų | 64 | 92.9 Ų | 92.9 | 66% | 0.66 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 37.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F265 N266 Y267 | F265-G269 PolarHBondContact O-N 3.12Å; N266-G269 PolarHBondContact O-N 3.34Å; Y267-G269 VanDerWaalsContact C-N 3.31Å |
| 270 | L | 60.6 | Low | 62.6 | Low | 85 Ų | 85 | 91.5 Ų | 91.5 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | trans | -116.4 | 126.1 | 176.5 | -63.1 | 172.4 | 0 | 0 | 0 | 109 | F265 C268 | F265-L270 CarbonylContact C-O 3.6Å; F265-L270 VanDerWaalsContact C-O 3.29Å; F265-L270 HydrophobicContact CB-CB 4.22Å; F265-L270 HydrophobicContact CD1-CB 4.3Å; F265-L270 HydrophobicContact CD1-CD1 4.02Å; F265-L270 PolarHBondContact O-N 2.96Å; C268-L270 HydrophobicContact CB-CD1 4.13Å; C268-L270 HydrophobicContact CB-CG 4.25Å | ||
| 271 | D | 64.8 | Low | 62 | Low | 90 Ų | 90 | 91.9 Ų | 91.9 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | trans | -96.5 | 139.8 | -176.1 | -177.3 | 85.8 | 0 | 0 | 0 | 111.6 | G273 E274 L275 | D271-G273 PolarHBondContact O-N 2.93Å; D271-G273 WeakPolarHBondContact OD2-CA 3.09Å; D271-G273 PolarHBondContact OD2-N 3.41Å; D271-E274 HydrophobicContact CB-CG 4.46Å; D271-E274 WeakPolarHBondContact O-CB 3.35Å; D271-E274 PolarHBondContact O-N 3.36Å; D271-E274 VanDerWaalsContact O-N 3.08Å; D271-L275 PolarHBondContact O-N 2.83Å | ||
| 272 | P | 54.2 | Low | 61.2 | Low | 68 Ų | 68 | 93.8 Ų | 93.8 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -24.8 | 178.9 | 23.7 | -34.2 | 0 | 0 | 0 | 114.3 | L275 E276 | P272-L275 WeakPolarHBondContact O-CA 3.22Å; P272-L275 VanDerWaalsContact O-CB 3.29Å; P272-L275 WeakPolarHBondContact O-CB 3.41Å; P272-L275 PolarHBondContact O-N 2.82Å; P272-E276 PolarHBondContact O-N 3.39Å |
| 273 | G | 58.7 | Low | 60.2 | Low | 48 Ų | 48 | 91.7 Ų | 91.7 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.9 | -30.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | D271 L275 | D271-G273 PolarHBondContact O-N 2.93Å; D271-G273 WeakPolarHBondContact OD2-CA 3.09Å; D271-G273 PolarHBondContact OD2-N 3.41Å; G273-L275 PolarHBondContact O-N 2.8Å |
| 274 | E | 57.5 | Low | 58.8 | Low | 130 Ų | 130 | 88.9 Ų | 88.9 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.8 | -24.9 | 167.5 | -63.2 | -165.5 | 137.4 | 0 | 0 | 111.6 | D271 L278 | D271-E274 HydrophobicContact CB-CG 4.46Å; D271-E274 WeakPolarHBondContact O-CB 3.35Å; D271-E274 PolarHBondContact O-N 3.36Å; D271-E274 VanDerWaalsContact O-N 3.08Å; E274-L278 VanDerWaalsContact O-CD1 3.28Å; E274-L278 WeakPolarHBondContact O-CD1 3.39Å; E274-L278 VanDerWaalsContact O-CG 3.27Å; E274-L278 WeakPolarHBondContact O-CG 3.33Å |
| 275 | L | 54.6 | Low | 57.5 | Low | 41 Ų | 41 | 86.5 Ų | 86.5 | 22% | 0.215 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -86.1 | -35.8 | -173 | -159.8 | 65.1 | 0 | 0 | 0 | 113.4 | F265 D271 P272 G273 L278 V280 | F265-L275 HydrophobicContact CD2-CD2 4.19Å; F265-L275 HydrophobicContact CE2-CD2 3.82Å; F265-L275 HydrophobicContact CZ-CD2 4.24Å; D271-L275 PolarHBondContact O-N 2.83Å; P272-L275 WeakPolarHBondContact O-CA 3.22Å; P272-L275 VanDerWaalsContact O-CB 3.29Å; P272-L275 WeakPolarHBondContact O-CB 3.41Å; P272-L275 PolarHBondContact O-N 2.82Å; G273-L275 PolarHBondContact O-N 2.8Å; L275-L278 PolarHBondContact O-N 2.71Å; L275-V280 HydrophobicContact CD1-CB 3.77Å; L275-V280 HydrophobicContact CD1-CG1 3.73Å; L275-V280 HydrophobicContact CD1-CG2 3.94Å; L275-V280 HydrophobicContact CD2-CG1 4.42Å; L275-V280 HydrophobicContact CG-CB 3.93Å; L275-V280 HydrophobicContact CG-CG1 4.02Å |
| 276 | E | 53.5 | Low | 56.1 | Low | 150 Ų | 150 | 92 Ų | 92 | 70% | 0.701 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -42.4 | 175.4 | -171.7 | 166.5 | -150.1 | 0 | 0 | 111.1 | P272 L278 G279 | P272-E276 PolarHBondContact O-N 3.39Å; E276-L278 PolarHBondContact O-N 2.65Å; E276-G279 PolarHBondContact O-N 3.44Å; E276-G279 VanDerWaalsContact O-N 3.13Å |
| 277 | G | 50.3 | Low | 54.7 | Low | 72 Ų | 72 | 90.6 Ų | 90.6 | 74% | 0.742 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -5.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 278 | L | 50.5 | Low | 53.6 | Low | 112 Ų | 112 | 85.9 Ų | 85.9 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 3.1 | 176.9 | -70 | 171.6 | 0 | 0 | 0 | 113.7 | E274 L275 E276 V280 | E274-L278 VanDerWaalsContact O-CD1 3.28Å; E274-L278 WeakPolarHBondContact O-CD1 3.39Å; E274-L278 VanDerWaalsContact O-CG 3.27Å; E274-L278 WeakPolarHBondContact O-CG 3.33Å; L275-L278 PolarHBondContact O-N 2.71Å; E276-L278 PolarHBondContact O-N 2.65Å; L278-V280 HydrophobicContact CB-CG2 3.87Å; L278-V280 PolarHBondContact O-N 3.12Å |
| 279 | G | 52.5 | Low | 52.5 | Low | 39 Ų | 39 | 85.9 Ų | 85.9 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 17.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | E276 S283 | E276-G279 PolarHBondContact O-N 3.44Å; E276-G279 VanDerWaalsContact O-N 3.13Å; G279-S283 PolarHBondContact O-N 2.73Å; G279-S283 PolarHBondContact O-OG 3.44Å |
| 280 | V | 51.3 | Low | 51.3 | Low | 22 Ų | 22 | 88.8 Ų | 88.8 | 13% | 0.133 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -74.8 | -29.2 | -171.1 | 170.2 | 0 | 0 | 0 | 0 | 112.4 | L275 L278 E282 S283 F284 | L275-V280 HydrophobicContact CD1-CB 3.77Å; L275-V280 HydrophobicContact CD1-CG1 3.73Å; L275-V280 HydrophobicContact CD1-CG2 3.94Å; L275-V280 HydrophobicContact CD2-CG1 4.42Å; L275-V280 HydrophobicContact CG-CB 3.93Å; L275-V280 HydrophobicContact CG-CG1 4.02Å; L278-V280 HydrophobicContact CB-CG2 3.87Å; L278-V280 PolarHBondContact O-N 3.12Å; V280-E282 VanDerWaalsContact C-N 3.33Å; V280-E282 PolarHBondContact O-N 2.82Å; V280-S283 PolarHBondContact O-N 2.81Å; V280-S283 VanDerWaalsContact O-N 3.12Å; V280-F284 HydrophobicContact CG1-CD2 3.48Å; V280-F284 VanDerWaalsContact CG1-CD2 3.48Å; V280-F284 HydrophobicContact CG1-CE2 3.3Å; V280-F284 HydrophobicContact CG1-CZ 4.38Å; V280-F284 WeakPolarHBondContact O-CD2 3.43Å; V280-F284 PolarHBondContact O-N 3.08Å |
| 281 | V | 53.6 | Low | 50.7 | Low | 104 Ų | 104 | 91.7 Ų | 91.7 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.7 | -45.2 | 176.6 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 282 | E | 51.9 | Low | 49.9 | Very low | 117 Ų | 117 | 94.9 Ų | 94.9 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73 | -32.5 | 177.3 | -155.9 | -163.2 | 124.3 | 0 | 0 | 112.2 | V280 A285 R286 | V280-E282 VanDerWaalsContact C-N 3.33Å; V280-E282 PolarHBondContact O-N 2.82Å; E282-A285 PolarHBondContact O-N 3.13Å; E282-R286 PolarHBondContact O-N 3.21Å; E282-R286 VanDerWaalsContact O-N 3.16Å; E282-R286 IonicContact OE1-CZ 2.65Å; E282-R286 IonicContact OE1-NH1 3.21Å; E282-R286 PolarHBondContact OE1-NH1 3.17Å; E282-R286 IonicContact OE1-NH2 2.82Å; E282-R286 PolarHBondContact OE1-NH2 2.84Å |
| 283 | S | 50.7 | Low | 49.2 | Very low | 68 Ų | 68 | 96.3 Ų | 96.3 | 48% | 0.476 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.1 | -38.5 | -177.6 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | G279 V280 R286 A287 | G279-S283 PolarHBondContact O-N 2.73Å; G279-S283 PolarHBondContact O-OG 3.44Å; V280-S283 PolarHBondContact O-N 2.81Å; V280-S283 VanDerWaalsContact O-N 3.12Å; S283-R286 PolarHBondContact O-N 2.91Å; S283-A287 PolarHBondContact O-N 3.29Å; S283-A287 VanDerWaalsContact O-N 3.11Å |
| 284 | F | 48 | Very low | 48.4 | Very low | 126 Ų | 126 | 100.8 Ų | 100.8 | 55% | 0.553 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.1 | -34.2 | 174.2 | -83.2 | -62.4 | 0 | 0 | 0 | 112.9 | V280 N288 | V280-F284 HydrophobicContact CG1-CD2 3.48Å; V280-F284 VanDerWaalsContact CG1-CD2 3.48Å; V280-F284 HydrophobicContact CG1-CE2 3.3Å; V280-F284 HydrophobicContact CG1-CZ 4.38Å; V280-F284 WeakPolarHBondContact O-CD2 3.43Å; V280-F284 PolarHBondContact O-N 3.08Å; F284-N288 PolarHBondContact O-ND2 2.89Å |
| 285 | A | 41.4 | Very low | 47.5 | Very low | 73 Ų | 73 | 100 Ų | 100 | 60% | 0.603 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E282 N288 | E282-A285 PolarHBondContact O-N 3.13Å; A285-N288 PolarHBondContact O-N 3.22Å |
| 286 | R | 42.4 | Very low | 46.6 | Very low | 152 Ų | 152 | 106.6 Ų | 106.6 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.6 | -35.6 | -178.4 | -169.7 | 166.8 | -73 | 113.7 | 0.7 | 113.5 | E282 S283 N288 S289 | E282-R286 PolarHBondContact O-N 3.21Å; E282-R286 VanDerWaalsContact O-N 3.16Å; E282-R286 IonicContact OE1-CZ 2.65Å; E282-R286 IonicContact OE1-NH1 3.21Å; E282-R286 PolarHBondContact OE1-NH1 3.17Å; E282-R286 IonicContact OE1-NH2 2.82Å; E282-R286 PolarHBondContact OE1-NH2 2.84Å; S283-R286 PolarHBondContact O-N 2.91Å; R286-N288 PolarHBondContact O-N 2.83Å; R286-S289 PolarHBondContact O-N 3.06Å; R286-S289 PolarHBondContact O-OG 3.09Å; R286-S289 VanDerWaalsContact O-OG 3.06Å |
| 287 | A | 45.2 | Very low | 45.9 | Very low | 72 Ų | 72 | 109.6 Ų | 109.6 | 60% | 0.595 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | S283 | S283-A287 PolarHBondContact O-N 3.29Å; S283-A287 VanDerWaalsContact O-N 3.11Å |
| 288 | N | 44.5 | Very low | 45.3 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 57% | 0.567 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -5.1 | 177.2 | -77.5 | -87.8 | 0 | 0 | 0 | 114 | F284 A285 R286 D290 | F284-N288 PolarHBondContact O-ND2 2.89Å; A285-N288 PolarHBondContact O-N 3.22Å; R286-N288 PolarHBondContact O-N 2.83Å; N288-D290 VanDerWaalsContact C-N 3.35Å; N288-D290 PolarHBondContact O-N 2.85Å |
| 289 | S | 46.8 | Very low | 44.6 | Very low | 64 Ų | 64 | 111 Ų | 111 | 45% | 0.448 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -63.2 | -36.5 | -178.4 | 50.3 | 0 | 0 | 0 | 0 | 114.1 | R286 L291 L292 | R286-S289 PolarHBondContact O-N 3.06Å; R286-S289 PolarHBondContact O-OG 3.09Å; R286-S289 VanDerWaalsContact O-OG 3.06Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 2.72Å; S289-L292 PolarHBondContact O-N 3.36Å |
| 290 | D | 44.6 | Very low | 43.7 | Very low | 126 Ų | 126 | 114.2 Ų | 114.2 | 67% | 0.674 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -83.1 | -15 | -160.4 | -61.5 | 1.2 | 0 | 0 | 0 | 112.7 | N288 L292 | N288-D290 VanDerWaalsContact C-N 3.35Å; N288-D290 PolarHBondContact O-N 2.85Å; D290-L292 VanDerWaalsContact C-N 3.29Å; D290-L292 PolarHBondContact O-N 3.08Å |
| 291 | L | 47.4 | Very low | 43 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -75 | -14.2 | 175.8 | -68.4 | 176.1 | 0 | 0 | 0 | 113.9 | S289 | S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 2.72Å |
| 292 | L | 47.5 | Very low | 42.1 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -103 | -3 | -177.6 | -60.4 | -178.3 | 0 | 0 | 0 | 113.9 | S289 D290 | S289-L292 PolarHBondContact O-N 3.36Å; D290-L292 VanDerWaalsContact C-N 3.29Å; D290-L292 PolarHBondContact O-N 3.08Å |
| 293 | S | 41 | Very low | 41.6 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | trans | -102 | 9.5 | -176.8 | -64.5 | 0 | 0 | 0 | 0 | 114.7 | N295 | S293-N295 PolarHBondContact O-N 2.79Š| ||
| 294 | L | 41.8 | Very low | 41.2 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | trans | -76.8 | 63.6 | 170.3 | -162.3 | 74.8 | 0 | 0 | 0 | 110.9 | F296 | L294-F296 HydrophobicContact CD2-CE2 4.31Å; L294-F296 PolarHBondContact O-N 3.41Å | ||
| 295 | N | 38 | Very low | 40.6 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | trans | -65.9 | 100.5 | 178.9 | 178.3 | 42.9 | 0 | 0 | 0 | 110.2 | S293 R297 | S293-N295 PolarHBondContact O-N 2.79Å; N295-R297 PolarHBondContact O-N 3.35Å | ||
| 296 | F | 36 | Very low | 40.5 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -58 | 96.9 | 176 | -99.5 | -100.7 | 0 | 0 | 0 | 110.7 | L294 S298 | L294-F296 HydrophobicContact CD2-CE2 4.31Å; L294-F296 PolarHBondContact O-N 3.41Å; F296-S298 PolarHBondContact O-N 3.31Å; F296-S298 VanDerWaalsContact O-N 3.11Å | ||
| 297 | R | 37.8 | Very low | 40.4 | Very low | 213 Ų | 213 | 129 Ų | 129 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -72.6 | 98.8 | 165.6 | -73.5 | -66.5 | -170.9 | -174 | 0.3 | 108.1 | N295 A299 | N295-R297 PolarHBondContact O-N 3.35Å; R297-A299 PolarHBondContact O-N 3.42Å | ||
| 298 | S | 38.2 | Very low | 39.8 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -58.2 | 99.1 | 172.9 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | F296 S300 | F296-S298 PolarHBondContact O-N 3.31Å; F296-S298 VanDerWaalsContact O-N 3.11Å; S298-S300 PolarHBondContact O-N 3.08Å | ||
| 299 | A | 36.9 | Very low | 39.4 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -83.3 | 98.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | R297 | R297-A299 PolarHBondContact O-N 3.42Š| ||
| 300 | S | 32.1 | Very low | 39.3 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -66.3 | 161.4 | 172.9 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | S298 I302 | S298-S300 PolarHBondContact O-N 3.08Å; S300-I302 PolarHBondContact O-N 2.9Å | ||
| 301 | M | 36.5 | Very low | 38.8 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | trans | -38.3 | 125.3 | 175.4 | -52.2 | 176.6 | -62.6 | 0 | 0 | 113.6 | ||||
| 302 | I | 36.4 | Very low | 38.3 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -98.5 | 105.1 | 146.6 | -68.5 | 179.1 | 0 | 0 | 0 | 106.1 | S300 | S300-I302 PolarHBondContact O-N 2.9Š| ||
| 303 | S | 40.9 | Very low | 37.8 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -82.5 | 134.9 | 162.7 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 304 | S | 42.2 | Very low | 37.9 | Very low | 90 Ų | 90 | 143.8 Ų | 143.8 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | -158.1 | 81.4 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 305 | D | 35.6 | Very low | 37.6 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -68.7 | 124.9 | 165.2 | -84.8 | -64.8 | 0 | 0 | 0 | 110.5 | ||||
| 306 | C | 38.7 | Very low | 38 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | -153.1 | 99.8 | 165.7 | 42.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 307 | E | 39.2 | Very low | 38.3 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 165.2 | 166.1 | -74.6 | -165 | 88.4 | 0 | 0 | 112.4 | ||||
| 308 | R | 32.9 | Very low | 38.7 | Very low | 222 Ų | 222 | 140.4 Ų | 140.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 70.2 | 139.3 | 173.2 | -112.6 | 73.2 | -175.4 | -174.7 | 1.7 | 114.5 | ||||
| 309 | S | 36.1 | Very low | 38.7 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -153.4 | 163.1 | 15.2 | -176.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 310 | L | 45.6 | Very low | 39.2 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -57.3 | 139.5 | 158.9 | -64.2 | 160.7 | 0 | 0 | 0 | 110.9 | ||||
| 311 | H | 33.3 | Very low | 39.5 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -161.4 | 155.6 | 131.6 | -109.2 | 73.8 | 0 | 0 | 0 | 111.1 | ||||
| 312 | S | 38.3 | Very low | 39.7 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -97 | 141.1 | -177.6 | 175.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 313 | N | 36.8 | Very low | 39.9 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | -153.5 | 162.6 | 129 | -130.6 | -67.8 | 0 | 0 | 0 | 112.8 | |||||
| 314 | D | 43.5 | Very low | 40 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -112.7 | 123.9 | -179.3 | 175.2 | 22.4 | 0 | 0 | 0 | 108.8 | ||||
| 315 | N | 35.1 | Very low | 39.9 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -158.6 | 140.2 | 159.7 | -163.1 | 25.6 | 0 | 0 | 0 | 111.7 | ||||
| 316 | L | 47.2 | Very low | 40.2 | Very low | 159 Ų | 159 | 143 Ų | 143 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -88.7 | 113.8 | 175.3 | -76.7 | 158 | 0 | 0 | 0 | 110.5 | ||||
| 317 | T | 40.6 | Very low | 40.9 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | -126.9 | 115.4 | 157.5 | -53.7 | 0 | 0 | 0 | 0 | 108.3 | D319 | T317-D319 PolarHBondContact O-N 2.86Š| ||
| 318 | D | 46.7 | Very low | 41.3 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -78.9 | 100.8 | 169.8 | -175.6 | -120.3 | 0 | 0 | 0 | 108.1 | ||||
| 319 | D | 38.3 | Very low | 42.9 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -154.2 | 129.7 | 166.8 | -120 | -38.3 | 0 | 0 | 0 | 113.2 | T317 D321 | T317-D319 PolarHBondContact O-N 2.86Å; D319-D321 PolarHBondContact O-N 2.74Å | ||
| 320 | A | 47 | Very low | 44.8 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | trans | -18.2 | 94.5 | 175 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 321 | D | 39 | Very low | 46.4 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | trans | -98.7 | 96.7 | 141.4 | -156.3 | -31.9 | 0 | 0 | 0 | 109.7 | D319 A323 | D319-D321 PolarHBondContact O-N 2.74Å; D321-A323 PolarHBondContact O-N 2.77Å | ||
| 322 | S | 40.6 | Very low | 48.6 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -78.5 | 66.9 | -179.5 | -68.6 | 0 | 0 | 0 | 0 | 110.7 | E324 | S322-E324 WeakPolarHBondContact O-CA 3.33Å; S322-E324 PolarHBondContact O-N 3.11Å | ||
| 323 | A | 40.5 | Very low | 50.7 | Low | 79 Ų | 79 | 121.2 Ų | 121.2 | 65% | 0.653 | 68% | 0.683 | S | S | * | * | trans | -37 | 110.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D321 R325 | D321-A323 PolarHBondContact O-N 2.77Å; A323-R325 PolarHBondContact O-N 3.06Å | ||
| 324 | E | 42.2 | Very low | 53.2 | Low | 172 Ų | 172 | 117.3 Ų | 117.3 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | trans | -51.7 | 94.8 | -156.1 | -171.1 | -173.8 | 160.6 | 0 | 0 | 112.2 | S322 V326 | S322-E324 WeakPolarHBondContact O-CA 3.33Å; S322-E324 PolarHBondContact O-N 3.11Å; E324-V326 PolarHBondContact O-N 3.24Å | ||
| 325 | R | 41 | Very low | 55.4 | Low | 235 Ų | 235 | 115.7 Ų | 115.7 | 89% | 0.887 | 64% | 0.643 | S | S | * | * | trans | -82.2 | 69.4 | -177.4 | -147.4 | -179 | -158.5 | 97.5 | -2.5 | 108.9 | A323 P327 | A323-R325 PolarHBondContact O-N 3.06Å; R325-P327 VanDerWaalsContact O-N 3.09Å | ||
| 326 | V | 41.7 | Very low | 57.8 | Low | 98 Ų | 98 | 113.9 Ų | 113.9 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | trans | -29.1 | 114.5 | 172.4 | 175.6 | 0 | 0 | 0 | 0 | 108.2 | E324 Y328 | E324-V326 PolarHBondContact O-N 3.24Å; V326-Y328 PolarHBondContact O-N 3.04Å | ||
| 327 | P | 53.1 | Low | 60 | Low | 122 Ų | 122 | 108.4 Ų | 108.4 | 79% | 0.792 | 61% | 0.611 | S | S | * | * | trans | -56.2 | 102.4 | -169.2 | -29.4 | 35.9 | 0 | 0 | 0 | 110.4 | R325 G329 | R325-P327 VanDerWaalsContact O-N 3.09Å; P327-G329 PolarHBondContact O-N 2.71Å | ||
| 328 | Y | 49.1 | Very low | 62.3 | Low | 198 Ų | 198 | 105.4 Ų | 105.4 | 78% | 0.776 | 59% | 0.587 | S | S | * | * | trans | -75.1 | 83.9 | -172.6 | -166.4 | -88.4 | 0 | 0 | 0 | 108.1 | V326 I330 | V326-Y328 PolarHBondContact O-N 3.04Å; Y328-I330 PolarHBondContact O-N 3.37Å | ||
| 329 | G | 65.6 | Low | 64.3 | Low | 52 Ų | 52 | 99.9 Ų | 99.9 | 54% | 0.536 | 56% | 0.559 | S | S | . | * | trans | -49.2 | 126.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110 | P327 S331 | P327-G329 PolarHBondContact O-N 2.71Å; G329-S331 PolarHBondContact O-N 3.5Å | ||
| 330 | I | 74.9 | Confident | 66.7 | Low | 17 Ų | 17 | 97.6 Ų | 97.6 | 9% | 0.087 | 55% | 0.546 | C | S | . | . | trans | -36.9 | 121.8 | -166 | -60.1 | 159.3 | 0 | 0 | 0 | 110.1 | L140 N141 Y328 E334 R335 | L140-I330 WeakPolarHBondContact O-CD1 3.45Å; N141-I330 VanDerWaalsContact C-CD1 3.45Å; Y328-I330 PolarHBondContact O-N 3.37Å; I330-E334 HydrophobicContact CG2-CB 3.82Å; I330-E334 HydrophobicContact CG2-CG 3.43Å; I330-E334 VanDerWaalsContact CG2-CG 3.43Å; I330-R335 HydrophobicContact CB-CG 4.3Å; I330-R335 HydrophobicContact CG2-CG 3.86Å; I330-R335 VanDerWaalsContact O-CZ 3.24Å; I330-R335 PolarHBondContact O-NE 2.84Å; I330-R335 PolarHBondContact O-NH2 2.77Å | ||
| 331 | S | 80.8 | Confident | 68.8 | Low | 41 Ų | 41 | 101.2 Ų | 101.2 | 29% | 0.287 | 55% | 0.546 | S | S | . | . | trans | -59.9 | 155.1 | -168.4 | 80.6 | 0 | 0 | 0 | 0 | 111.6 | G329 V333 E334 R335 | G329-S331 PolarHBondContact O-N 3.5Å; S331-V333 PolarHBondContact O-N 2.69Å; S331-E334 PolarHBondContact O-N 3Å; S331-E334 VanDerWaalsContact O-N 3.13Å; S331-E334 WeakPolarHBondContact OG-CB 2.98Å; S331-E334 PolarHBondContact OG-N 3.16Å; S331-E334 VanDerWaalsContact OG-N 3.08Å; S331-R335 PolarHBondContact O-N 3.46Å | ||
| 332 | A | 77.8 | Confident | 71.1 | Confident | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.1 | -33.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N336 | A332-N336 WeakPolarHBondContact O-CB 3.28Å; A332-N336 PolarHBondContact O-N 3.22Å; A332-N336 PolarHBondContact O-ND2 3.39Å; A332-N336 PolarHBondContact O-OD1 2.88Å |
| 333 | V | 84.1 | Confident | 73.5 | Confident | 115 Ų | 115 | 96 Ų | 96 | 70% | 0.697 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.6 | -45.3 | 175.6 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | S331 N336 A337 | S331-V333 PolarHBondContact O-N 2.69Å; V333-N336 PolarHBondContact O-N 3.12Å; V333-A337 WeakPolarHBondContact O-CB 3.21Å; V333-A337 PolarHBondContact O-N 3.45Å |
| 334 | E | 89.3 | Confident | 75.5 | Confident | 80 Ų | 80 | 100 Ų | 100 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 178.5 | 175.9 | 61 | -171.3 | 0 | 0 | 111.7 | I330 S331 N336 A337 R338 | I330-E334 HydrophobicContact CG2-CB 3.82Å; I330-E334 HydrophobicContact CG2-CG 3.43Å; I330-E334 VanDerWaalsContact CG2-CG 3.43Å; S331-E334 PolarHBondContact O-N 3Å; S331-E334 VanDerWaalsContact O-N 3.13Å; S331-E334 WeakPolarHBondContact OG-CB 2.98Å; S331-E334 PolarHBondContact OG-N 3.16Å; S331-E334 VanDerWaalsContact OG-N 3.08Å; E334-N336 PolarHBondContact O-N 2.8Å; E334-A337 PolarHBondContact O-N 3.47Å; E334-R338 WeakPolarHBondContact O-CG 3.35Å; E334-R338 PolarHBondContact O-N 3.2Å; E334-R338 IonicContact OE1-CZ 3.16Å; E334-R338 IonicContact OE1-NE 2.69Å; E334-R338 PolarHBondContact OE1-NE 3.45Å; E334-R338 IonicContact OE1-NH2 2.71Å; E334-R338 PolarHBondContact OE1-NH2 2.99Å |
| 335 | R | 87.9 | Confident | 77.2 | Confident | 102 Ų | 102 | 95.5 Ų | 95.5 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 171.7 | -80.1 | -178.5 | -89.8 | 144.5 | -7.8 | 111.8 | L140 I330 S331 A337 R338 V339 | L140-R335 HydrophobicContact CD2-CB 3.83Å; L140-R335 HydrophobicContact CD2-CG 3.63Å; I330-R335 HydrophobicContact CB-CG 4.3Å; I330-R335 HydrophobicContact CG2-CG 3.86Å; I330-R335 VanDerWaalsContact O-CZ 3.24Å; I330-R335 PolarHBondContact O-NE 2.84Å; I330-R335 PolarHBondContact O-NH2 2.77Å; S331-R335 PolarHBondContact O-N 3.46Å; R335-A337 PolarHBondContact O-N 3.23Å; R335-R338 PolarHBondContact O-N 3.04Å; R335-V339 WeakPolarHBondContact O-CG2 3.47Å; R335-V339 PolarHBondContact O-N 2.87Å |
| 336 | N | 85.9 | Confident | 78.9 | Confident | 102 Ų | 102 | 85.8 Ų | 85.8 | 55% | 0.545 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.1 | -70.7 | -8.2 | 0 | 0 | 0 | 111.6 | A332 V333 E334 R338 V339 I340 | A332-N336 WeakPolarHBondContact O-CB 3.28Å; A332-N336 PolarHBondContact O-N 3.22Å; A332-N336 PolarHBondContact O-ND2 3.39Å; A332-N336 PolarHBondContact O-OD1 2.88Å; V333-N336 PolarHBondContact O-N 3.12Å; E334-N336 PolarHBondContact O-N 2.8Å; N336-R338 PolarHBondContact O-N 3.3Å; N336-V339 PolarHBondContact O-N 3.26Å; N336-I340 WeakPolarHBondContact O-CB 3.39Å; N336-I340 WeakPolarHBondContact O-CD1 3.48Å; N336-I340 VanDerWaalsContact O-CG1 3.25Å; N336-I340 WeakPolarHBondContact O-CG1 3.44Å; N336-I340 PolarHBondContact O-N 3.02Å |
| 337 | A | 93.9 | Very high | 80.5 | Confident | 44 Ų | 44 | 86.2 Ų | 86.2 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V333 E334 R335 K341 | V333-A337 WeakPolarHBondContact O-CB 3.21Å; V333-A337 PolarHBondContact O-N 3.45Å; E334-A337 PolarHBondContact O-N 3.47Å; R335-A337 PolarHBondContact O-N 3.23Å; A337-K341 VanDerWaalsContact O-CB 3.31Å; A337-K341 WeakPolarHBondContact O-CB 3.34Å; A337-K341 PolarHBondContact O-N 3.32Å |
| 338 | R | 89.2 | Confident | 81.3 | Confident | 51 Ų | 51 | 86.3 Ų | 86.3 | 19% | 0.192 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 174.6 | -70.2 | 177.8 | -170.8 | -162.9 | -1.3 | 112.1 | L139 S142 E334 R335 N336 K341 W342 | L139-R338 WeakPolarHBondContact O-CD 3.37Å; L139-R338 PolarHBondContact O-NH1 3.1Å; S142-R338 PolarHBondContact O-NH1 2.97Å; E334-R338 WeakPolarHBondContact O-CG 3.35Å; E334-R338 PolarHBondContact O-N 3.2Å; E334-R338 IonicContact OE1-CZ 3.16Å; E334-R338 IonicContact OE1-NE 2.69Å; E334-R338 PolarHBondContact OE1-NE 3.45Å; E334-R338 IonicContact OE1-NH2 2.71Å; E334-R338 PolarHBondContact OE1-NH2 2.99Å; R335-R338 PolarHBondContact O-N 3.04Å; N336-R338 PolarHBondContact O-N 3.3Å; R338-K341 PolarHBondContact O-N 3.25Å; R338-W342 WeakPolarHBondContact O-CB 3.47Å; R338-W342 PolarHBondContact O-N 3.44Å |
| 339 | V | 89.5 | Confident | 81.7 | Confident | 49 Ų | 49 | 79 Ų | 79 | 30% | 0.297 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L140 R335 N336 K341 W342 L343 | L140-V339 HydrophobicContact CD2-CG2 4.22Å; R335-V339 WeakPolarHBondContact O-CG2 3.47Å; R335-V339 PolarHBondContact O-N 2.87Å; N336-V339 PolarHBondContact O-N 3.26Å; V339-K341 PolarHBondContact O-N 3.25Å; V339-W342 PolarHBondContact O-N 3.42Å; V339-L343 HydrophobicContact CG1-CD1 4Å; V339-L343 HydrophobicContact CG1-CG 4.4Å; V339-L343 WeakPolarHBondContact O-CG 3.44Å; V339-L343 PolarHBondContact O-N 3.4Å |
| 340 | I | 88.1 | Confident | 81.7 | Confident | 95 Ų | 95 | 84.7 Ų | 84.7 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 176.3 | -68.3 | 164 | 0 | 0 | 0 | 110.4 | N336 W342 L343 Y344 | N336-I340 WeakPolarHBondContact O-CB 3.39Å; N336-I340 WeakPolarHBondContact O-CD1 3.48Å; N336-I340 VanDerWaalsContact O-CG1 3.25Å; N336-I340 WeakPolarHBondContact O-CG1 3.44Å; N336-I340 PolarHBondContact O-N 3.02Å; I340-W342 VanDerWaalsContact C-N 3.3Å; I340-W342 PolarHBondContact O-N 3.42Å; I340-L343 PolarHBondContact O-N 3.27Å; I340-Y344 HydrophobicContact CG2-CD2 3.85Å; I340-Y344 HydrophobicContact CG2-CE2 4Å; I340-Y344 WeakPolarHBondContact O-CD2 3.49Å; I340-Y344 PolarHBondContact O-N 3.49Å |
| 341 | K | 90.1 | Very high | 81.3 | Confident | 161 Ų | 161 | 88.2 Ų | 88.2 | 70% | 0.7 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.2 | -39.6 | 177.9 | -172.2 | 179.6 | -65.9 | 178.8 | 0 | 112.2 | A337 R338 V339 S345 | A337-K341 VanDerWaalsContact O-CB 3.31Å; A337-K341 WeakPolarHBondContact O-CB 3.34Å; A337-K341 PolarHBondContact O-N 3.32Å; R338-K341 PolarHBondContact O-N 3.25Å; V339-K341 PolarHBondContact O-N 3.25Å; K341-S345 WeakPolarHBondContact O-CB 3.13Å; K341-S345 PolarHBondContact O-N 3.23Å; K341-S345 VanDerWaalsContact O-N 3.09Å |
| 342 | W | 88.9 | Confident | 80.2 | Confident | 53 Ų | 53 | 89.1 Ų | 89.1 | 20% | 0.201 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.1 | -51.2 | 175.1 | -175.8 | 80.6 | 0 | 0 | 0 | 111.8 | L131 L136 R338 V339 I340 Y344 S345 I346 | L131-W342 HydrophobicContact CB-CZ2 4.21Å; L131-W342 HydrophobicContact CD2-CZ2 4.18Å; L136-W342 HydrophobicContact CD1-CD2 4.13Å; L136-W342 HydrophobicContact CD1-CE3 4Å; L136-W342 HydrophobicContact CD1-CH2 3.51Å; L136-W342 HydrophobicContact CD1-CZ2 3.61Å; L136-W342 HydrophobicContact CD1-CZ3 3.72Å; L136-W342 HydrophobicContact CD2-CB 4.27Å; L136-W342 HydrophobicContact CD2-CD2 3.62Å; L136-W342 HydrophobicContact CD2-CE3 3.96Å; L136-W342 HydrophobicContact CD2-CG 3.78Å; L136-W342 HydrophobicContact CD2-CZ2 4.45Å; L136-W342 HydrophobicContact CG-CD2 3.92Å; L136-W342 HydrophobicContact CG-CE3 4.28Å; L136-W342 HydrophobicContact CG-CG 4.42Å; L136-W342 HydrophobicContact CG-CH2 4.21Å; L136-W342 HydrophobicContact CG-CZ2 3.81Å; L136-W342 HydrophobicContact CG-CZ3 4.43Å; R338-W342 WeakPolarHBondContact O-CB 3.47Å; R338-W342 PolarHBondContact O-N 3.44Å; V339-W342 PolarHBondContact O-N 3.42Å; I340-W342 VanDerWaalsContact C-N 3.3Å; I340-W342 PolarHBondContact O-N 3.42Å; W342-Y344 VanDerWaalsContact C-N 3.34Å; W342-Y344 PolarHBondContact O-N 3.38Å; W342-S345 WeakPolarHBondContact O-CB 3.49Å; W342-S345 PolarHBondContact O-N 3.35Å; W342-S345 VanDerWaalsContact O-N 3.1Å; W342-I346 HydrophobicContact CD2-CD1 3.68Å; W342-I346 HydrophobicContact CD2-CG1 4.45Å; W342-I346 HydrophobicContact CE3-CD1 3.56Å; W342-I346 HydrophobicContact CH2-CD1 3.52Å; W342-I346 HydrophobicContact CZ2-CD1 3.64Å; W342-I346 HydrophobicContact CZ3-CD1 3.47Å; W342-I346 VanDerWaalsContact CZ3-CD1 3.47Å; W342-I346 WeakPolarHBondContact O-CG1 3.5Å; W342-I346 PolarHBondContact O-N 3.45Å |
| 343 | L | 89.4 | Confident | 79.1 | Confident | 93 Ų | 93 | 92.8 Ų | 92.8 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 178.6 | -69.8 | 171.4 | 0 | 0 | 0 | 112.8 | V339 I340 I346 K347 | V339-L343 HydrophobicContact CG1-CD1 4Å; V339-L343 HydrophobicContact CG1-CG 4.4Å; V339-L343 WeakPolarHBondContact O-CG 3.44Å; V339-L343 PolarHBondContact O-N 3.4Å; I340-L343 PolarHBondContact O-N 3.27Å; L343-I346 PolarHBondContact O-N 3.32Å; L343-K347 PolarHBondContact O-N 2.87Å |
| 344 | Y | 83.4 | Confident | 77.8 | Confident | 162 Ų | 162 | 94.7 Ų | 94.7 | 64% | 0.635 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.1 | -38.4 | 175.3 | -90.5 | -87 | 0 | 0 | 0 | 112.7 | I340 W342 I346 K347 H348 | I340-Y344 HydrophobicContact CG2-CD2 3.85Å; I340-Y344 HydrophobicContact CG2-CE2 4Å; I340-Y344 WeakPolarHBondContact O-CD2 3.49Å; I340-Y344 PolarHBondContact O-N 3.49Å; W342-Y344 VanDerWaalsContact C-N 3.34Å; W342-Y344 PolarHBondContact O-N 3.38Å; Y344-I346 VanDerWaalsContact C-N 3.34Å; Y344-I346 PolarHBondContact O-N 3.39Å; Y344-K347 PolarHBondContact O-N 3.23Å; Y344-H348 WeakPolarHBondContact O-CB 3.48Å; Y344-H348 PolarHBondContact O-N 2.97Å |
| 345 | S | 78.3 | Confident | 76.1 | Confident | 79 Ų | 79 | 96.3 Ų | 96.3 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 173.3 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | K341 W342 H348 A349 | K341-S345 WeakPolarHBondContact O-CB 3.13Å; K341-S345 PolarHBondContact O-N 3.23Å; K341-S345 VanDerWaalsContact O-N 3.09Å; W342-S345 WeakPolarHBondContact O-CB 3.49Å; W342-S345 PolarHBondContact O-N 3.35Å; W342-S345 VanDerWaalsContact O-N 3.1Å; S345-H348 PolarHBondContact O-N 3.21Å; S345-A349 WeakPolarHBondContact O-CB 3.09Å; S345-A349 PolarHBondContact O-N 2.76Å |
| 346 | I | 75.8 | Confident | 74.5 | Confident | 30 Ų | 30 | 95.8 Ų | 95.8 | 15% | 0.154 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 174.1 | -60.1 | 172.2 | 0 | 0 | 0 | 111.2 | L131 W342 L343 Y344 H348 A349 R350 | L131-I346 HydrophobicContact CD1-CD1 4.18Å; L131-I346 HydrophobicContact CD2-CD1 3.62Å; L131-I346 HydrophobicContact CD2-CG1 3.63Å; W342-I346 HydrophobicContact CD2-CD1 3.68Å; W342-I346 HydrophobicContact CD2-CG1 4.45Å; W342-I346 HydrophobicContact CE3-CD1 3.56Å; W342-I346 HydrophobicContact CH2-CD1 3.52Å; W342-I346 HydrophobicContact CZ2-CD1 3.64Å; W342-I346 HydrophobicContact CZ3-CD1 3.47Å; W342-I346 VanDerWaalsContact CZ3-CD1 3.47Å; W342-I346 WeakPolarHBondContact O-CG1 3.5Å; W342-I346 PolarHBondContact O-N 3.45Å; L343-I346 PolarHBondContact O-N 3.32Å; Y344-I346 VanDerWaalsContact C-N 3.34Å; Y344-I346 PolarHBondContact O-N 3.39Å; I346-H348 VanDerWaalsContact C-N 3.3Å; I346-H348 PolarHBondContact O-N 2.94Å; I346-A349 PolarHBondContact O-N 2.74Å; I346-R350 HydrophobicContact CG2-CG 4.31Å; I346-R350 WeakPolarHBondContact O-CB 3.29Å; I346-R350 WeakPolarHBondContact O-CG 3.46Å; I346-R350 PolarHBondContact O-N 3.02Å |
| 347 | K | 74.7 | Confident | 72.7 | Confident | 107 Ų | 107 | 99 Ų | 99 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 179.2 | -162.9 | -163.8 | 79 | 91.2 | 0 | 110.2 | L343 Y344 R350 E351 | L343-K347 PolarHBondContact O-N 2.87Å; Y344-K347 PolarHBondContact O-N 3.23Å; K347-R350 PolarHBondContact O-N 3.14Å; K347-E351 VanDerWaalsContact NZ-CD 3.32Å; K347-E351 IonicContact NZ-OE1 2.73Å; K347-E351 PolarHBondContact NZ-OE1 2.81Å; K347-E351 IonicContact NZ-OE2 2.67Å; K347-E351 PolarHBondContact NZ-OE2 3.27Å; K347-E351 VanDerWaalsContact O-CB 3.27Å; K347-E351 WeakPolarHBondContact O-CB 3.42Å; K347-E351 PolarHBondContact O-N 2.8Å |
| 348 | H | 71.2 | Confident | 70.2 | Confident | 124 Ų | 124 | 106 Ų | 106 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | -179.5 | -167.6 | 56.3 | 0 | 0 | 0 | 112.4 | Y344 S345 I346 R350 E351 S352 | Y344-H348 WeakPolarHBondContact O-CB 3.48Å; Y344-H348 PolarHBondContact O-N 2.97Å; S345-H348 PolarHBondContact O-N 3.21Å; I346-H348 VanDerWaalsContact C-N 3.3Å; I346-H348 PolarHBondContact O-N 2.94Å; H348-R350 PolarHBondContact O-N 3.32Å; H348-E351 PolarHBondContact O-N 3.37Å; H348-S352 PolarHBondContact O-N 3.25Å; H348-S352 PolarHBondContact O-OG 2.85Å |
| 349 | A | 57.7 | Low | 69.3 | Low | 45 Ų | 45 | 108.8 Ų | 108.8 | 37% | 0.372 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S345 I346 E351 Q353 | S345-A349 WeakPolarHBondContact O-CB 3.09Å; S345-A349 PolarHBondContact O-N 2.76Å; I346-A349 PolarHBondContact O-N 2.74Å; A349-E351 VanDerWaalsContact C-N 3.28Å; A349-E351 PolarHBondContact O-N 2.85Å; A349-Q353 WeakPolarHBondContact O-CB 3.3Å; A349-Q353 PolarHBondContact O-N 3.11Å |
| 350 | R | 65.1 | Low | 68.2 | Low | 172 Ų | 172 | 111.9 Ų | 111.9 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.8 | -24.9 | 175.8 | -70.2 | 178 | 74.5 | -169.9 | 7.2 | 113.4 | I346 K347 H348 K354 | I346-R350 HydrophobicContact CG2-CG 4.31Å; I346-R350 WeakPolarHBondContact O-CB 3.29Å; I346-R350 WeakPolarHBondContact O-CG 3.46Å; I346-R350 PolarHBondContact O-N 3.02Å; K347-R350 PolarHBondContact O-N 3.14Å; H348-R350 PolarHBondContact O-N 3.32Å; R350-K354 WeakPolarHBondContact O-CG 3.48Å |
| 351 | E | 65.7 | Low | 67.1 | Low | 91 Ų | 91 | 112.8 Ų | 112.8 | 43% | 0.425 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -80 | -49.6 | 178.3 | -165.5 | 156.3 | -138.3 | 0 | 0 | 110.1 | K347 H348 A349 Q353 K354 V355 | K347-E351 VanDerWaalsContact NZ-CD 3.32Å; K347-E351 IonicContact NZ-OE1 2.73Å; K347-E351 PolarHBondContact NZ-OE1 2.81Å; K347-E351 IonicContact NZ-OE2 2.67Å; K347-E351 PolarHBondContact NZ-OE2 3.27Å; K347-E351 VanDerWaalsContact O-CB 3.27Å; K347-E351 WeakPolarHBondContact O-CB 3.42Å; K347-E351 PolarHBondContact O-N 2.8Å; H348-E351 PolarHBondContact O-N 3.37Å; A349-E351 VanDerWaalsContact C-N 3.28Å; A349-E351 PolarHBondContact O-N 2.85Å; E351-Q353 VanDerWaalsContact C-N 3.3Å; E351-Q353 PolarHBondContact O-N 3.05Å; E351-K354 WeakPolarHBondContact O-CB 3.3Å; E351-K354 PolarHBondContact O-N 3.41Å; E351-V355 PolarHBondContact O-N 3.36Å |
| 352 | S | 59.2 | Low | 65.8 | Low | 60 Ų | 60 | 110 Ų | 110 | 42% | 0.42 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.3 | -38.2 | 173.2 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | H348 K354 V355 S356 | H348-S352 PolarHBondContact O-N 3.25Å; H348-S352 PolarHBondContact O-OG 2.85Å; S352-K354 PolarHBondContact O-N 2.89Å; S352-V355 PolarHBondContact O-N 3.37Å; S352-S356 PolarHBondContact O-N 2.8Å; S352-S356 VanDerWaalsContact O-N 3.12Å |
| 353 | Q | 54.4 | Low | 64.3 | Low | 133 Ų | 133 | 113.6 Ų | 113.6 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.5 | -17.5 | 177.7 | -167.9 | 173.8 | 0.5 | 0 | 0 | 113.8 | A349 E351 S356 | A349-Q353 WeakPolarHBondContact O-CB 3.3Å; A349-Q353 PolarHBondContact O-N 3.11Å; E351-Q353 VanDerWaalsContact C-N 3.3Å; E351-Q353 PolarHBondContact O-N 3.05Å; Q353-S356 PolarHBondContact O-OG 3.2Å |
| 354 | K | 57 | Low | 62.7 | Low | 156 Ų | 156 | 114.9 Ų | 114.9 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -81.4 | -36.3 | 170.3 | -69.9 | 171.1 | -180 | -171.7 | 0 | 111.9 | R350 E351 S352 S356 H357 | R350-K354 WeakPolarHBondContact O-CG 3.48Å; E351-K354 WeakPolarHBondContact O-CB 3.3Å; E351-K354 PolarHBondContact O-N 3.41Å; S352-K354 PolarHBondContact O-N 2.89Å; K354-S356 VanDerWaalsContact C-N 3.28Å; K354-S356 PolarHBondContact O-N 3.02Å; K354-H357 PolarHBondContact O-N 2.92Å |
| 355 | V | 53.1 | Low | 61.2 | Low | 113 Ų | 113 | 111.6 Ų | 111.6 | 69% | 0.685 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.7 | -28 | 178 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | E351 S352 H357 | E351-V355 PolarHBondContact O-N 3.36Å; S352-V355 PolarHBondContact O-N 3.37Å; V355-H357 VanDerWaalsContact C-N 3.27Å; V355-H357 PolarHBondContact O-N 3.34Å |
| 356 | S | 53.5 | Low | 59.9 | Low | 91 Ų | 91 | 114.1 Ų | 114.1 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 16 | 176.3 | 69.7 | 0 | 0 | 0 | 0 | 115.2 | S352 Q353 K354 | S352-S356 PolarHBondContact O-N 2.8Å; S352-S356 VanDerWaalsContact O-N 3.12Å; Q353-S356 PolarHBondContact O-OG 3.2Å; K354-S356 VanDerWaalsContact C-N 3.28Å; K354-S356 PolarHBondContact O-N 3.02Å |
| 357 | H | 48.6 | Very low | 58.5 | Low | 170 Ų | 170 | 121.1 Ų | 121.1 | 79% | 0.787 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | 28.6 | 178.8 | -154.5 | -55.4 | 0 | 0 | 0 | 112.1 | K354 V355 | K354-H357 PolarHBondContact O-N 2.92Å; V355-H357 VanDerWaalsContact C-N 3.27Å; V355-H357 PolarHBondContact O-N 3.34Å |
| 358 | V | 42.3 | Very low | 57.1 | Low | 191 Ų | 191 | 122.4 Ų | 122.4 | 100% | 1.158 | 64% | 0.637 | S | S | * | * | trans | -127.8 | 0 | 169.7 | -176.6 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 358 of 358 residues in 459.7 ms
(Link to these results)