| 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 | 33.9 | Very low | 34.1 | Very low | 241 Ų | 241 | 153.1 Ų | 153.1 | 100% | 1.187 | 73% | 0.728 | S | S | * | * | 0 | 104.8 | 0 | -65.5 | -162 | -169.3 | 0 | 0 | 107.6 | |||||
| 2 | S | 32.5 | Very low | 33.8 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | 92.8 | 120.9 | 106.7 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3 | V | 36.7 | Very low | 33.6 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | cis | -175.3 | 141.7 | 10.2 | 113.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | L | 36.3 | Very low | 33.3 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | trans | 54.5 | 153.3 | 142.5 | -53.3 | 163 | 0 | 0 | 0 | 120.8 | ||||
| 5 | K | 34.6 | Very low | 34.2 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 73% | 0.726 | 72% | 0.722 | S | S | * | * | cis | -168.4 | 132.9 | 8.2 | -120.2 | 159.1 | 177 | 176.7 | 0 | 105 | ||||
| 6 | K | 34.5 | Very low | 34.1 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | 50.5 | 140.1 | 85.6 | -68.2 | -164.9 | 173.8 | 178.3 | 0 | 113.5 | |||||
| 7 | H | 34.4 | Very low | 34.5 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 56% | 0.556 | 73% | 0.725 | S | S | * | * | cis | -177.3 | 145.6 | 18.2 | -111.8 | 22.3 | 0 | 0 | 0 | 107.2 | ||||
| 8 | R | 31.8 | Very low | 35 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | 71 | 122.5 | 89.9 | -136.3 | -170.8 | 180 | 170.7 | 5.4 | 112 | |||||
| 9 | R | 35.1 | Very low | 35.7 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 67% | 0.672 | 74% | 0.735 | S | S | * | * | 169.7 | 140.4 | 81.6 | -91.9 | -172.4 | -178.8 | 169.6 | 1.6 | 108.1 | |||||
| 10 | K | 34.3 | Very low | 36.5 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | 74.5 | 127.1 | 80.3 | -122.8 | -178.7 | 158.8 | -85.3 | 0 | 109.4 | |||||
| 11 | D | 31.1 | Very low | 37.4 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | -179.3 | 133.7 | 69.6 | -85.6 | -51 | 0 | 0 | 0 | 106.3 | |||||
| 12 | S | 30.6 | Very low | 38.3 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 57% | 0.566 | 71% | 0.714 | S | S | * | * | 87.2 | 134.9 | 81.7 | 88.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 13 | D | 31.1 | Very low | 39.3 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | 82.5 | 136 | 148.9 | -52.7 | -30.9 | 0 | 0 | 0 | 118.4 | ||||
| 14 | T | 29.9 | Very low | 40.3 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | cis | -171.1 | 171.4 | 18.9 | 7.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 15 | P | 46.8 | Very low | 41.4 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | trans | -107.6 | 166.3 | -151.8 | 41.2 | -35.5 | 0 | 0 | 0 | 115.1 | ||||
| 16 | Q | 31.4 | Very low | 42.4 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | trans | -176.5 | 120.9 | 133.3 | -155.4 | 129.2 | -2.6 | 0 | 0 | 112.6 | ||||
| 17 | E | 42.1 | Very low | 43.5 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | trans | 42.7 | 125.7 | 141.4 | -80 | 168.2 | 166.5 | 0 | 0 | 121.1 | ||||
| 18 | L | 42.9 | Very low | 44.7 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | cis | -162 | 154 | 34.1 | -91.4 | 151.6 | 0 | 0 | 0 | 112.9 | ||||
| 19 | S | 47.8 | Very low | 46.1 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | trans | 118.3 | 113.8 | 157.3 | -158.3 | 0 | 0 | 0 | 0 | 117.3 | K21 | S19-K21 PolarHBondContact O-N 3.05Š| ||
| 20 | E | 52.3 | Low | 47.3 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.752 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -77.1 | 5.6 | -151.9 | -65.6 | -171.6 | 129.7 | 0 | 0 | 119.3 | A22 | E20-A22 PolarHBondContact O-N 3.33Å; E20-A22 VanDerWaalsContact O-N 3.09Å |
| 21 | K | 56.1 | Low | 48.5 | Very low | 197 Ų | 197 | 130.2 Ų | 130.2 | 86% | 0.857 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -71.8 | -0.8 | -178.9 | -77 | -174.8 | 175.7 | -179.7 | 0 | 115.7 | S19 | S19-K21 PolarHBondContact O-N 3.05Š|
| 22 | A | 52.9 | Low | 49.9 | Very low | 73 Ų | 73 | 133 Ų | 133 | 60% | 0.603 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -95.8 | -16.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E20 E24 | E20-A22 PolarHBondContact O-N 3.33Å; E20-A22 VanDerWaalsContact O-N 3.09Å; A22-E24 PolarHBondContact O-N 3.25Å |
| 23 | K | 53.1 | Low | 51.4 | Low | 162 Ų | 162 | 136.4 Ų | 136.4 | 70% | 0.704 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75.1 | -22.2 | -173.4 | -74.1 | -179.4 | -179.8 | 170.6 | 0 | 114.9 | ||
| 24 | E | 57 | Low | 52.8 | Low | 168 Ų | 168 | 135.2 Ų | 135.2 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -76.6 | -27.6 | -179.4 | -84.5 | -179.3 | 144 | 0 | 0 | 114 | A22 | A22-E24 PolarHBondContact O-N 3.25Å |
| 25 | Q | 60 | Low | 54.2 | Low | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -79.7 | -22.8 | -173.2 | -67.6 | -174.8 | -5.5 | 0 | 0 | 114 | ||
| 26 | Q | 55.3 | Low | 55.1 | Low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -79 | -32.3 | -179.2 | -123.7 | 171.8 | -3.7 | 0 | 0 | 112.8 | A29 | Q26-A29 PolarHBondContact O-N 2.83Å |
| 27 | A | 57.4 | Low | 56.6 | Low | 67 Ų | 67 | 136.9 Ų | 136.9 | 55% | 0.554 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.8 | -33.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A29 | A27-A29 VanDerWaalsContact C-N 3.32Å; A27-A29 PolarHBondContact O-N 3.38Å |
| 28 | E | 59.8 | Low | 57.5 | Low | 124 Ų | 124 | 135.5 Ų | 135.5 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69 | -28.8 | 177.2 | -78.6 | -159.6 | 148.6 | 0 | 0 | 113.5 | R32 | E28-R32 IonicContact OE2-NH2 2.73Å; E28-R32 PolarHBondContact OE2-NH2 3.4Å |
| 29 | A | 60.5 | Low | 58.6 | Low | 50 Ų | 50 | 136 Ų | 136 | 41% | 0.413 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -72.4 | -35.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q26 A27 | Q26-A29 PolarHBondContact O-N 2.83Å; A27-A29 VanDerWaalsContact C-N 3.32Å; A27-A29 PolarHBondContact O-N 3.38Å |
| 30 | E | 60.6 | Low | 59.6 | Low | 151 Ų | 151 | 137.5 Ų | 137.5 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.6 | -36 | 177.7 | -65.2 | -164.7 | 153.7 | 0 | 0 | 112.2 | R32 K33 L34 | E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.27Å; E30-K33 PolarHBondContact O-N 2.91Å; E30-L34 PolarHBondContact O-N 3.2Å |
| 31 | L | 59.8 | Low | 60.4 | Low | 95 Ų | 95 | 135.1 Ų | 135.1 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.9 | -30.3 | -178.8 | -152.9 | 143.5 | 0 | 0 | 0 | 112.5 | R35 | L31-R35 VanDerWaalsContact CD2-CZ 3.43Å; L31-R35 WeakPolarHBondContact O-CG 3.34Å |
| 32 | R | 60.8 | Low | 60.8 | Low | 169 Ų | 169 | 129.2 Ų | 129.2 | 64% | 0.638 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.7 | -38.1 | 173.3 | -69.4 | -173.2 | -153.6 | 134 | 10.8 | 113 | E28 E30 R35 Q36 | E28-R32 IonicContact OE2-NH2 2.73Å; E28-R32 PolarHBondContact OE2-NH2 3.4Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.27Å; R32-R35 PolarHBondContact O-N 3.44Å; R32-Q36 PolarHBondContact O-N 3.32Å |
| 33 | K | 61 | Low | 61.5 | Low | 152 Ų | 152 | 131.5 Ų | 131.5 | 66% | 0.661 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.5 | -42 | -179.4 | -75.4 | 179.8 | -179.7 | 172.2 | 0 | 112.1 | E30 Q36 Q37 | E30-K33 PolarHBondContact O-N 2.91Å; K33-Q36 PolarHBondContact O-N 3.38Å; K33-Q37 PolarHBondContact O-N 3.23Å |
| 34 | L | 61 | Low | 62.2 | Low | 113 Ų | 113 | 126.9 Ų | 126.9 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.5 | -40.6 | 179.7 | -131.3 | 84 | 0 | 0 | 0 | 112.2 | E30 Q36 Q37 F38 | E30-L34 PolarHBondContact O-N 3.2Å; L34-Q36 VanDerWaalsContact C-N 3.25Å; L34-Q36 PolarHBondContact O-N 3.35Å; L34-Q37 PolarHBondContact O-N 3.34Å; L34-F38 PolarHBondContact O-N 3.14Å |
| 35 | R | 60.2 | Low | 62.9 | Low | 172 Ų | 172 | 127.7 Ų | 127.7 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.9 | -30.1 | 177.1 | -75 | 178.6 | 173.1 | 177 | 0.3 | 113 | L31 R32 R39 | L31-R35 VanDerWaalsContact CD2-CZ 3.43Å; L31-R35 WeakPolarHBondContact O-CG 3.34Å; R32-R35 PolarHBondContact O-N 3.44Å; R35-R39 PolarHBondContact O-N 3.44Å |
| 36 | Q | 65 | Low | 63.4 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 59% | 0.589 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.3 | -34.3 | -179.5 | -152.8 | 177 | 23.1 | 0 | 0 | 112.7 | R32 K33 L34 K40 | R32-Q36 PolarHBondContact O-N 3.32Å; K33-Q36 PolarHBondContact O-N 3.38Å; L34-Q36 VanDerWaalsContact C-N 3.25Å; L34-Q36 PolarHBondContact O-N 3.35Å; Q36-K40 PolarHBondContact O-N 3.41Å |
| 37 | Q | 62 | Low | 64.3 | Low | 142 Ų | 142 | 122.3 Ų | 122.3 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.5 | -39.1 | 177.2 | -72 | -173.6 | -11.8 | 0 | 0 | 112.6 | K33 L34 R39 K40 M41 | K33-Q37 PolarHBondContact O-N 3.23Å; L34-Q37 PolarHBondContact O-N 3.34Å; Q37-R39 VanDerWaalsContact C-N 3.3Å; Q37-R39 PolarHBondContact O-N 3.49Å; Q37-K40 PolarHBondContact O-N 3.3Å; Q37-M41 PolarHBondContact O-N 3.36Å |
| 38 | F | 61.4 | Low | 65.2 | Low | 127 Ų | 127 | 125.8 Ų | 125.8 | 56% | 0.557 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.5 | -35.3 | 174.7 | -90.8 | -78.3 | 0 | 0 | 0 | 112.7 | L34 M41 V42 | L34-F38 PolarHBondContact O-N 3.14Å; F38-M41 HydrophobicContact CD1-CE 4.44Å; F38-M41 HydrophobicContact CE1-CE 4.37Å; F38-V42 VanDerWaalsContact O-CG2 3.28Å; F38-V42 WeakPolarHBondContact O-CG2 3.26Å; F38-V42 PolarHBondContact O-N 3.03Å; F38-V42 VanDerWaalsContact O-N 3.17Å |
| 39 | R | 65.7 | Low | 66 | Low | 176 Ų | 176 | 124.2 Ų | 124.2 | 66% | 0.664 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.6 | -48.2 | 175.4 | -109.6 | -175.7 | -112.1 | -139.7 | -2.3 | 112.6 | R35 Q37 M41 V42 E43 | R35-R39 PolarHBondContact O-N 3.44Å; Q37-R39 VanDerWaalsContact C-N 3.3Å; Q37-R39 PolarHBondContact O-N 3.49Å; R39-M41 VanDerWaalsContact C-N 3.34Å; R39-M41 PolarHBondContact O-N 3.02Å; R39-V42 PolarHBondContact O-N 3.46Å; R39-E43 PolarHBondContact O-N 3Å |
| 40 | K | 69.4 | Low | 66.8 | Low | 142 Ų | 142 | 128.2 Ų | 128.2 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.5 | -37.7 | -179.6 | -71.3 | -176.1 | 177.1 | -176.8 | 0 | 113 | Q36 Q37 S44 | Q36-K40 PolarHBondContact O-N 3.41Å; Q37-K40 PolarHBondContact O-N 3.3Å; K40-S44 PolarHBondContact O-N 3.38Å; K40-S44 PolarHBondContact O-OG 3.09Å |
| 41 | M | 68.6 | Low | 67.7 | Low | 112 Ų | 112 | 129.6 Ų | 129.6 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71 | -37.3 | 178.5 | -165.8 | -142.4 | -57 | 0 | 0 | 112.4 | Q37 F38 R39 S44 R45 | Q37-M41 PolarHBondContact O-N 3.36Å; F38-M41 HydrophobicContact CD1-CE 4.44Å; F38-M41 HydrophobicContact CE1-CE 4.37Å; R39-M41 VanDerWaalsContact C-N 3.34Å; R39-M41 PolarHBondContact O-N 3.02Å; M41-S44 PolarHBondContact O-OG 3.45Å; M41-R45 WeakPolarHBondContact O-CB 3.37Å; M41-R45 PolarHBondContact O-N 3.05Å; M41-R45 VanDerWaalsContact O-N 3.14Å |
| 42 | V | 64.9 | Low | 68.7 | Low | 72 Ų | 72 | 128.6 Ų | 128.6 | 44% | 0.436 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.6 | -38.6 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | F38 R39 K46 | F38-V42 VanDerWaalsContact O-CG2 3.28Å; F38-V42 WeakPolarHBondContact O-CG2 3.26Å; F38-V42 PolarHBondContact O-N 3.03Å; F38-V42 VanDerWaalsContact O-N 3.17Å; R39-V42 PolarHBondContact O-N 3.46Å; V42-K46 HydrophobicContact CG1-CD 4.34Å; V42-K46 WeakPolarHBondContact O-CG 3.2Å; V42-K46 PolarHBondContact O-N 2.98Å; V42-K46 VanDerWaalsContact O-N 3.1Å |
| 43 | E | 68 | Low | 69.6 | Low | 121 Ų | 121 | 127 Ų | 127 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.3 | -37.8 | 176 | -76.9 | 168.6 | 179.4 | 0 | 0 | 113 | R39 K46 S47 | R39-E43 PolarHBondContact O-N 3Å; E43-K46 PolarHBondContact O-N 3.28Å; E43-S47 PolarHBondContact O-N 3.17Å; E43-S47 PolarHBondContact O-OG 3.48Å |
| 44 | S | 67.6 | Low | 70.5 | Confident | 65 Ų | 65 | 125.7 Ų | 125.7 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -38.3 | 176.1 | 69.8 | 0 | 0 | 0 | 0 | 112.3 | K40 M41 S47 F48 | K40-S44 PolarHBondContact O-N 3.38Å; K40-S44 PolarHBondContact O-OG 3.09Å; M41-S44 PolarHBondContact O-OG 3.45Å; S44-S47 WeakPolarHBondContact CA-OG 3.47Å; S44-S47 PolarHBondContact O-N 3.46Å; S44-S47 PolarHBondContact O-OG 3.43Å; S44-F48 WeakPolarHBondContact O-CB 3.4Å; S44-F48 PolarHBondContact O-N 3.33Å |
| 45 | R | 71.2 | Confident | 71.5 | Confident | 185 Ų | 185 | 127 Ų | 127 | 70% | 0.698 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.6 | -37.2 | 176.5 | -160.1 | 175.5 | -173.6 | -179.7 | 1.1 | 112.1 | M41 N49 | M41-R45 WeakPolarHBondContact O-CB 3.37Å; M41-R45 PolarHBondContact O-N 3.05Å; M41-R45 VanDerWaalsContact O-N 3.14Å; R45-N49 PolarHBondContact O-N 3.38Å |
| 46 | K | 70.4 | Confident | 72.4 | Confident | 148 Ų | 148 | 122.6 Ų | 122.6 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.8 | -45 | 174.5 | -75.3 | 179 | 179.2 | -175.2 | 0 | 112.2 | V42 E43 N49 F50 | V42-K46 HydrophobicContact CG1-CD 4.34Å; V42-K46 WeakPolarHBondContact O-CG 3.2Å; V42-K46 PolarHBondContact O-N 2.98Å; V42-K46 VanDerWaalsContact O-N 3.1Å; E43-K46 PolarHBondContact O-N 3.28Å; K46-N49 PolarHBondContact O-N 3.1Å; K46-F50 WeakPolarHBondContact O-CB 3.38Å; K46-F50 PolarHBondContact O-N 3.04Å |
| 47 | S | 75.4 | Confident | 73.3 | Confident | 60 Ų | 60 | 119 Ų | 119 | 42% | 0.42 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.1 | -35.5 | 179.8 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | E43 S44 R51 | E43-S47 PolarHBondContact O-N 3.17Å; E43-S47 PolarHBondContact O-OG 3.48Å; S44-S47 WeakPolarHBondContact CA-OG 3.47Å; S44-S47 PolarHBondContact O-N 3.46Å; S44-S47 PolarHBondContact O-OG 3.43Å; S47-R51 WeakPolarHBondContact O-CG 3.48Å; S47-R51 PolarHBondContact O-N 2.93Å; S47-R51 VanDerWaalsContact O-N 3.14Å |
| 48 | F | 75.8 | Confident | 74.3 | Confident | 140 Ų | 140 | 115.4 Ų | 115.4 | 61% | 0.614 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.6 | -46.3 | 173.9 | -176 | -98.2 | 0 | 0 | 0 | 112.1 | S44 F50 R51 N52 | S44-F48 WeakPolarHBondContact O-CB 3.4Å; S44-F48 PolarHBondContact O-N 3.33Å; F48-F50 PolarHBondContact O-N 3.39Å; F48-R51 PolarHBondContact O-N 3.19Å; F48-N52 PolarHBondContact O-N 3.43Å; F48-N52 VanDerWaalsContact O-N 3.09Å |
| 49 | N | 75.9 | Confident | 75.4 | Confident | 90 Ų | 90 | 114.8 Ų | 114.8 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 176.6 | -93.3 | -36.5 | 0 | 0 | 0 | 112.6 | R45 K46 N52 Q53 | R45-N49 PolarHBondContact O-N 3.38Å; K46-N49 PolarHBondContact O-N 3.1Å; N49-N52 PolarHBondContact O-N 3.02Å; N49-Q53 PolarHBondContact O-N 3.31Å |
| 50 | F | 78.3 | Confident | 76.4 | Confident | 135 Ų | 135 | 113.7 Ų | 113.7 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 177.8 | -176.1 | -98.5 | 0 | 0 | 0 | 112.3 | K46 F48 N52 Q53 Q54 | K46-F50 WeakPolarHBondContact O-CB 3.38Å; K46-F50 PolarHBondContact O-N 3.04Å; F48-F50 PolarHBondContact O-N 3.39Å; F50-N52 VanDerWaalsContact C-N 3.33Å; F50-N52 PolarHBondContact O-N 2.84Å; F50-Q53 PolarHBondContact O-N 3.33Å; F50-Q54 WeakPolarHBondContact O-CB 3.46Å; F50-Q54 PolarHBondContact O-N 3.41Å |
| 51 | R | 79.6 | Confident | 77.1 | Confident | 180 Ų | 180 | 114.2 Ų | 114.2 | 68% | 0.679 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -37.3 | 176.9 | -73.5 | -179.1 | -179.1 | -175.3 | 1 | 112.6 | S47 F48 Q54 K55 | S47-R51 WeakPolarHBondContact O-CG 3.48Å; S47-R51 PolarHBondContact O-N 2.93Å; S47-R51 VanDerWaalsContact O-N 3.14Å; F48-R51 PolarHBondContact O-N 3.19Å; R51-Q54 PolarHBondContact O-N 3.43Å; R51-K55 PolarHBondContact O-N 3Å; R51-K55 VanDerWaalsContact O-N 3.1Å |
| 52 | N | 80.1 | Confident | 78 | Confident | 73 Ų | 73 | 114.7 Ų | 114.7 | 39% | 0.39 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.7 | -43.2 | 178.1 | -122.3 | 19.9 | 0 | 0 | 0 | 111.8 | F48 N49 F50 Q54 K55 I56 | F48-N52 PolarHBondContact O-N 3.43Å; F48-N52 VanDerWaalsContact O-N 3.09Å; N49-N52 PolarHBondContact O-N 3.02Å; F50-N52 VanDerWaalsContact C-N 3.33Å; F50-N52 PolarHBondContact O-N 2.84Å; N52-Q54 VanDerWaalsContact C-N 3.3Å; N52-Q54 PolarHBondContact O-N 3.36Å; N52-K55 PolarHBondContact O-N 3.4Å; N52-I56 VanDerWaalsContact O-CG1 3.32Å; N52-I56 WeakPolarHBondContact O-CG1 3.36Å; N52-I56 PolarHBondContact O-N 2.87Å |
| 53 | Q | 79.3 | Confident | 79 | Confident | 137 Ų | 137 | 115.2 Ų | 115.2 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.5 | -39.4 | 173.2 | -83.7 | 180 | -25 | 0 | 0 | 112.2 | N49 F50 I56 A57 | N49-Q53 PolarHBondContact O-N 3.31Å; F50-Q53 PolarHBondContact O-N 3.33Å; Q53-I56 PolarHBondContact O-N 3.32Å; Q53-A57 WeakPolarHBondContact O-CB 3.28Å; Q53-A57 PolarHBondContact O-N 3.22Å |
| 54 | Q | 81.3 | Confident | 79.9 | Confident | 124 Ų | 124 | 116 Ų | 116 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 177.9 | -166.6 | 175.8 | 13.3 | 0 | 0 | 112.6 | F50 R51 N52 A57 S58 | F50-Q54 WeakPolarHBondContact O-CB 3.46Å; F50-Q54 PolarHBondContact O-N 3.41Å; R51-Q54 PolarHBondContact O-N 3.43Å; N52-Q54 VanDerWaalsContact C-N 3.3Å; N52-Q54 PolarHBondContact O-N 3.36Å; Q54-A57 PolarHBondContact O-N 2.95Å; Q54-S58 PolarHBondContact O-N 3.45Å; Q54-S58 PolarHBondContact O-OG 3.23Å |
| 55 | K | 80.8 | Confident | 80.9 | Confident | 139 Ų | 139 | 115.6 Ų | 115.6 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 175 | -78.2 | -174.5 | 176.6 | -173.4 | 0 | 112.9 | R51 N52 A57 S58 Q59 | R51-K55 PolarHBondContact O-N 3Å; R51-K55 VanDerWaalsContact O-N 3.1Å; N52-K55 PolarHBondContact O-N 3.4Å; K55-A57 VanDerWaalsContact C-N 3.33Å; K55-S58 WeakPolarHBondContact CA-OG 3.32Å; K55-S58 PolarHBondContact O-N 3.01Å; K55-S58 PolarHBondContact O-OG 3.07Å; K55-Q59 WeakPolarHBondContact O-CG 3.2Å; K55-Q59 PolarHBondContact O-N 3.24Å |
| 56 | I | 80.6 | Confident | 81.7 | Confident | 81 Ų | 81 | 111.4 Ų | 111.4 | 42% | 0.415 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 175.8 | -69.6 | 169.6 | 0 | 0 | 0 | 109.5 | N52 Q53 S58 Q59 Y60 | N52-I56 VanDerWaalsContact O-CG1 3.32Å; N52-I56 WeakPolarHBondContact O-CG1 3.36Å; N52-I56 PolarHBondContact O-N 2.87Å; Q53-I56 PolarHBondContact O-N 3.32Å; I56-S58 PolarHBondContact O-N 3.42Å; I56-Q59 PolarHBondContact O-N 3.47Å; I56-Y60 HydrophobicContact CG2-CD2 3.63Å; I56-Y60 HydrophobicContact CG2-CE2 3.45Å; I56-Y60 VanDerWaalsContact CG2-CE2 3.45Å; I56-Y60 WeakPolarHBondContact O-CD2 3.34Å; I56-Y60 PolarHBondContact O-N 3.07Å |
| 57 | A | 82.5 | Confident | 82.6 | Confident | 50 Ų | 50 | 110.3 Ų | 110.3 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q53 Q54 K55 K61 | Q53-A57 WeakPolarHBondContact O-CB 3.28Å; Q53-A57 PolarHBondContact O-N 3.22Å; Q54-A57 PolarHBondContact O-N 2.95Å; K55-A57 VanDerWaalsContact C-N 3.33Å; A57-K61 WeakPolarHBondContact O-CG 3.45Å; A57-K61 PolarHBondContact O-N 3.26Å |
| 58 | S | 83.4 | Confident | 83.2 | Confident | 66 Ų | 66 | 110.3 Ų | 110.3 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 175.3 | 61 | 0 | 0 | 0 | 0 | 112.1 | Q54 K55 I56 Y60 K61 E62 | Q54-S58 PolarHBondContact O-N 3.45Å; Q54-S58 PolarHBondContact O-OG 3.23Å; K55-S58 WeakPolarHBondContact CA-OG 3.32Å; K55-S58 PolarHBondContact O-N 3.01Å; K55-S58 PolarHBondContact O-OG 3.07Å; I56-S58 PolarHBondContact O-N 3.42Å; S58-Y60 PolarHBondContact O-N 2.94Å; S58-K61 PolarHBondContact O-N 3.41Å; S58-E62 PolarHBondContact O-N 3.35Å; S58-E62 VanDerWaalsContact O-N 3.09Å |
| 59 | Q | 85.4 | Confident | 83.8 | Confident | 115 Ų | 115 | 108.8 Ų | 108.8 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.5 | -73.1 | 176 | -25.3 | 0 | 0 | 112.3 | K55 I56 K61 E62 I63 | K55-Q59 WeakPolarHBondContact O-CG 3.2Å; K55-Q59 PolarHBondContact O-N 3.24Å; I56-Q59 PolarHBondContact O-N 3.47Å; Q59-K61 VanDerWaalsContact C-N 3.33Å; Q59-K61 PolarHBondContact O-N 2.72Å; Q59-E62 PolarHBondContact O-N 3.34Å; Q59-I63 VanDerWaalsContact O-CG1 3.28Å; Q59-I63 WeakPolarHBondContact O-CG1 3.39Å; Q59-I63 PolarHBondContact O-N 3.34Å |
| 60 | Y | 85.2 | Confident | 84.4 | Confident | 153 Ų | 153 | 110.6 Ų | 110.6 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.1 | -36.3 | 175.1 | -85.4 | -67 | 0 | 0 | 0 | 113 | I56 S58 Q64 | I56-Y60 HydrophobicContact CG2-CD2 3.63Å; I56-Y60 HydrophobicContact CG2-CE2 3.45Å; I56-Y60 VanDerWaalsContact CG2-CE2 3.45Å; I56-Y60 WeakPolarHBondContact O-CD2 3.34Å; I56-Y60 PolarHBondContact O-N 3.07Å; S58-Y60 PolarHBondContact O-N 2.94Å; Y60-Q64 WeakPolarHBondContact O-CG 3.36Å; Y60-Q64 PolarHBondContact O-N 3.5Å; Y60-Q64 VanDerWaalsContact O-N 3.07Å |
| 61 | K | 85.6 | Confident | 84.9 | Confident | 152 Ų | 152 | 109.3 Ų | 109.3 | 66% | 0.661 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 175.1 | -73.4 | -178.3 | 178.2 | -173 | 0 | 112.1 | A57 S58 Q59 Q64 S65 | A57-K61 WeakPolarHBondContact O-CG 3.45Å; A57-K61 PolarHBondContact O-N 3.26Å; S58-K61 PolarHBondContact O-N 3.41Å; Q59-K61 VanDerWaalsContact C-N 3.33Å; Q59-K61 PolarHBondContact O-N 2.72Å; K61-Q64 WeakPolarHBondContact O-CB 3.43Å; K61-Q64 PolarHBondContact O-N 3.1Å; K61-S65 PolarHBondContact O-N 2.96Å |
| 62 | E | 87.2 | Confident | 85.3 | Confident | 123 Ų | 123 | 106.7 Ų | 106.7 | 58% | 0.575 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.2 | -37.9 | 178.3 | -170.3 | 171.4 | -167.6 | 0 | 0 | 112.2 | S58 Q59 Q64 S65 L66 | S58-E62 PolarHBondContact O-N 3.35Å; S58-E62 VanDerWaalsContact O-N 3.09Å; Q59-E62 PolarHBondContact O-N 3.34Å; E62-Q64 VanDerWaalsContact C-N 3.28Å; E62-Q64 PolarHBondContact O-N 3.5Å; E62-S65 WeakPolarHBondContact CA-OG 3.44Å; E62-S65 PolarHBondContact O-N 2.93Å; E62-S65 PolarHBondContact O-OG 3.38Å; E62-L66 WeakPolarHBondContact O-CG 3.31Å; E62-L66 PolarHBondContact O-N 3.14Å |
| 63 | I | 85.1 | Confident | 85.7 | Confident | 83 Ų | 83 | 108.1 Ų | 108.1 | 43% | 0.426 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 172.1 | -68.9 | 166.7 | 0 | 0 | 0 | 110.9 | Q59 K67 | Q59-I63 VanDerWaalsContact O-CG1 3.28Å; Q59-I63 WeakPolarHBondContact O-CG1 3.39Å; Q59-I63 PolarHBondContact O-N 3.34Å; I63-K67 HydrophobicContact CG2-CD 4.29Å; I63-K67 WeakPolarHBondContact O-CB 3.31Å; I63-K67 VanDerWaalsContact O-CG 3.31Å; I63-K67 WeakPolarHBondContact O-CG 3.28Å; I63-K67 PolarHBondContact O-N 2.93Å |
| 64 | Q | 87.8 | Confident | 86.1 | Confident | 136 Ų | 136 | 105.2 Ų | 105.2 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.9 | -40 | 175.8 | -78.7 | 179.4 | -10.3 | 0 | 0 | 112.4 | Y60 K61 E62 K67 A68 | Y60-Q64 WeakPolarHBondContact O-CG 3.36Å; Y60-Q64 PolarHBondContact O-N 3.5Å; Y60-Q64 VanDerWaalsContact O-N 3.07Å; K61-Q64 WeakPolarHBondContact O-CB 3.43Å; K61-Q64 PolarHBondContact O-N 3.1Å; E62-Q64 VanDerWaalsContact C-N 3.28Å; E62-Q64 PolarHBondContact O-N 3.5Å; Q64-K67 PolarHBondContact O-N 3.39Å; Q64-A68 PolarHBondContact O-N 3.46Å; Q64-A68 VanDerWaalsContact O-N 3.1Å |
| 65 | S | 88.3 | Confident | 86.4 | Confident | 58 Ų | 58 | 104 Ų | 104 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 176.2 | 58 | 0 | 0 | 0 | 0 | 112.1 | K61 E62 K67 A68 E69 | K61-S65 PolarHBondContact O-N 2.96Å; E62-S65 WeakPolarHBondContact CA-OG 3.44Å; E62-S65 PolarHBondContact O-N 2.93Å; E62-S65 PolarHBondContact O-OG 3.38Å; S65-K67 VanDerWaalsContact C-N 3.31Å; S65-K67 PolarHBondContact O-N 2.87Å; S65-A68 WeakPolarHBondContact O-CB 3.48Å; S65-A68 PolarHBondContact O-N 3.48Å; S65-A68 VanDerWaalsContact O-N 3.14Å; S65-E69 PolarHBondContact O-N 2.87Å |
| 66 | L | 88.3 | Confident | 86.7 | Confident | 96 Ų | 96 | 101.8 Ų | 101.8 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 177.6 | -71.7 | 172.2 | 0 | 0 | 0 | 112.7 | E62 E69 Q70 | E62-L66 WeakPolarHBondContact O-CG 3.31Å; E62-L66 PolarHBondContact O-N 3.14Å; L66-E69 PolarHBondContact O-N 3.46Å; L66-Q70 WeakPolarHBondContact O-CB 3.34Å; L66-Q70 PolarHBondContact O-N 3.45Å |
| 67 | K | 88 | Confident | 86.9 | Confident | 126 Ų | 126 | 101.6 Ų | 101.6 | 55% | 0.548 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 172.6 | -78.7 | 180 | 178 | -173.7 | 0 | 112 | I63 Q64 S65 Q70 D71 | I63-K67 HydrophobicContact CG2-CD 4.29Å; I63-K67 WeakPolarHBondContact O-CB 3.31Å; I63-K67 VanDerWaalsContact O-CG 3.31Å; I63-K67 WeakPolarHBondContact O-CG 3.28Å; I63-K67 PolarHBondContact O-N 2.93Å; Q64-K67 PolarHBondContact O-N 3.39Å; S65-K67 VanDerWaalsContact C-N 3.31Å; S65-K67 PolarHBondContact O-N 2.87Å; K67-Q70 PolarHBondContact O-N 3.29Å; K67-D71 WeakPolarHBondContact O-CB 3.38Å; K67-D71 VanDerWaalsContact O-CG 3.24Å; K67-D71 PolarHBondContact O-N 3.43Å |
| 68 | A | 88 | Confident | 87 | Confident | 59 Ų | 59 | 102.5 Ų | 102.5 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q64 S65 D71 E72 | Q64-A68 PolarHBondContact O-N 3.46Å; Q64-A68 VanDerWaalsContact O-N 3.1Å; S65-A68 WeakPolarHBondContact O-CB 3.48Å; S65-A68 PolarHBondContact O-N 3.48Å; S65-A68 VanDerWaalsContact O-N 3.14Å; A68-D71 PolarHBondContact O-N 3.19Å; A68-E72 PolarHBondContact O-N 2.92Å |
| 69 | E | 89 | Confident | 87.1 | Confident | 108 Ų | 108 | 103.6 Ų | 103.6 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 174.8 | -71.7 | 177.2 | -172.8 | 0 | 0 | 112.1 | S65 L66 D71 E72 I73 | S65-E69 PolarHBondContact O-N 2.87Å; L66-E69 PolarHBondContact O-N 3.46Å; E69-D71 VanDerWaalsContact C-N 3.35Å; E69-D71 PolarHBondContact O-N 3.18Å; E69-E72 PolarHBondContact O-N 3.43Å; E69-I73 VanDerWaalsContact O-CG1 3.31Å; E69-I73 WeakPolarHBondContact O-CG1 3.45Å; E69-I73 PolarHBondContact O-N 2.9Å |
| 70 | Q | 89 | Confident | 86.8 | Confident | 129 Ų | 129 | 103.9 Ų | 103.9 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.8 | -49.7 | 175.2 | -177.5 | 176.9 | -1.5 | 0 | 0 | 110.3 | L66 K67 E72 I73 T74 | L66-Q70 WeakPolarHBondContact O-CB 3.34Å; L66-Q70 PolarHBondContact O-N 3.45Å; K67-Q70 PolarHBondContact O-N 3.29Å; Q70-E72 VanDerWaalsContact C-N 3.33Å; Q70-E72 PolarHBondContact O-N 2.92Å; Q70-I73 PolarHBondContact O-N 3.33Å; Q70-T74 PolarHBondContact O-N 2.92Å; Q70-T74 PolarHBondContact O-OG1 3.47Å |
| 71 | D | 87.8 | Confident | 86.7 | Confident | 107 Ų | 107 | 104 Ų | 104 | 57% | 0.572 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.7 | -43.6 | 179.1 | -70.8 | -22.3 | 0 | 0 | 0 | 111.3 | K67 A68 E69 T74 L75 | K67-D71 WeakPolarHBondContact O-CB 3.38Å; K67-D71 VanDerWaalsContact O-CG 3.24Å; K67-D71 PolarHBondContact O-N 3.43Å; A68-D71 PolarHBondContact O-N 3.19Å; E69-D71 VanDerWaalsContact C-N 3.35Å; E69-D71 PolarHBondContact O-N 3.18Å; D71-T74 WeakPolarHBondContact CA-OG1 3.4Å; D71-T74 PolarHBondContact O-N 2.98Å; D71-T74 PolarHBondContact O-OG1 2.91Å; D71-T74 VanDerWaalsContact O-OG1 3.05Å; D71-L75 WeakPolarHBondContact O-CB 3.43Å; D71-L75 PolarHBondContact O-N 3.3Å |
| 72 | E | 89.1 | Confident | 86.5 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 176.5 | -172.9 | 175.8 | -173.3 | 0 | 0 | 112.7 | A68 E69 Q70 L75 L76 | A68-E72 PolarHBondContact O-N 2.92Å; E69-E72 PolarHBondContact O-N 3.43Å; Q70-E72 VanDerWaalsContact C-N 3.33Å; Q70-E72 PolarHBondContact O-N 2.92Å; E72-L75 WeakPolarHBondContact O-CB 3.4Å; E72-L75 PolarHBondContact O-N 3.25Å; E72-L76 HydrophobicContact CG-CD1 4.49Å; E72-L76 PolarHBondContact O-N 2.89Å |
| 73 | I | 87.8 | Confident | 86.3 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 177.9 | -67.2 | 168.5 | 0 | 0 | 0 | 110.7 | E69 Q70 L75 L76 L77 | E69-I73 VanDerWaalsContact O-CG1 3.31Å; E69-I73 WeakPolarHBondContact O-CG1 3.45Å; E69-I73 PolarHBondContact O-N 2.9Å; Q70-I73 PolarHBondContact O-N 3.33Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 3.38Å; I73-L76 PolarHBondContact O-N 3.5Å; I73-L77 HydrophobicContact CG2-CD1 4.09Å; I73-L77 HydrophobicContact CG2-CG 4.5Å; I73-L77 WeakPolarHBondContact O-CB 3.48Å; I73-L77 WeakPolarHBondContact O-CG 3.23Å; I73-L77 PolarHBondContact O-N 3.11Å |
| 74 | T | 88.6 | Confident | 86.2 | Confident | 76 Ų | 76 | 100.9 Ų | 100.9 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 174 | 15.9 | 0 | 0 | 0 | 0 | 112.1 | Q70 D71 L77 S78 | Q70-T74 PolarHBondContact O-N 2.92Å; Q70-T74 PolarHBondContact O-OG1 3.47Å; D71-T74 WeakPolarHBondContact CA-OG1 3.4Å; D71-T74 PolarHBondContact O-N 2.98Å; D71-T74 PolarHBondContact O-OG1 2.91Å; D71-T74 VanDerWaalsContact O-OG1 3.05Å; T74-L77 PolarHBondContact O-N 2.9Å; T74-S78 WeakPolarHBondContact O-CB 3.42Å; T74-S78 PolarHBondContact O-N 3.3Å; T74-S78 PolarHBondContact O-OG 3.4Å |
| 75 | L | 86.9 | Confident | 86 | Confident | 100 Ų | 100 | 97.4 Ų | 97.4 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.3 | -165.1 | 159.5 | 0 | 0 | 0 | 110.4 | D71 E72 I73 L77 S78 L79 | D71-L75 WeakPolarHBondContact O-CB 3.43Å; D71-L75 PolarHBondContact O-N 3.3Å; E72-L75 WeakPolarHBondContact O-CB 3.4Å; E72-L75 PolarHBondContact O-N 3.25Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 3.38Å; L75-L77 PolarHBondContact O-N 3.32Å; L75-S78 PolarHBondContact O-N 2.93Å; L75-S78 PolarHBondContact O-OG 3.4Å; L75-L79 HydrophobicContact CD2-CD1 3.42Å; L75-L79 VanDerWaalsContact CD2-CD1 3.42Å; L75-L79 HydrophobicContact CD2-CG 4Å; L75-L79 PolarHBondContact O-N 2.8Å |
| 76 | L | 86.9 | Confident | 85.8 | Confident | 92 Ų | 92 | 99.8 Ų | 99.8 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 176 | -73.8 | 168.8 | 0 | 0 | 0 | 112.7 | E72 I73 S78 L79 M80 | E72-L76 HydrophobicContact CG-CD1 4.49Å; E72-L76 PolarHBondContact O-N 2.89Å; I73-L76 PolarHBondContact O-N 3.5Å; L76-S78 VanDerWaalsContact C-N 3.33Å; L76-S78 PolarHBondContact O-N 3.06Å; L76-L79 PolarHBondContact O-N 2.93Å; L76-M80 PolarHBondContact O-N 3.43Å |
| 77 | L | 84.8 | Confident | 85.7 | Confident | 76 Ų | 76 | 99.4 Ų | 99.4 | 40% | 0.398 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 175 | -77.9 | 171.5 | 0 | 0 | 0 | 111.7 | I73 T74 L75 M80 K81 | I73-L77 HydrophobicContact CG2-CD1 4.09Å; I73-L77 HydrophobicContact CG2-CG 4.5Å; I73-L77 WeakPolarHBondContact O-CB 3.48Å; I73-L77 WeakPolarHBondContact O-CG 3.23Å; I73-L77 PolarHBondContact O-N 3.11Å; T74-L77 PolarHBondContact O-N 2.9Å; L75-L77 PolarHBondContact O-N 3.32Å; L77-M80 HydrophobicContact CD2-CE 3.99Å; L77-M80 PolarHBondContact O-N 3.04Å; L77-K81 VanDerWaalsContact O-CB 3.26Å; L77-K81 WeakPolarHBondContact O-CB 3.43Å; L77-K81 WeakPolarHBondContact O-CG 3.2Å; L77-K81 PolarHBondContact O-N 2.68Å |
| 78 | S | 84.9 | Confident | 85.6 | Confident | 69 Ų | 69 | 99.2 Ų | 99.2 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 176.5 | 79 | 0 | 0 | 0 | 0 | 112.3 | T74 L75 L76 K81 S82 | T74-S78 WeakPolarHBondContact O-CB 3.42Å; T74-S78 PolarHBondContact O-N 3.3Å; T74-S78 PolarHBondContact O-OG 3.4Å; L75-S78 PolarHBondContact O-N 2.93Å; L75-S78 PolarHBondContact O-OG 3.4Å; L76-S78 VanDerWaalsContact C-N 3.33Å; L76-S78 PolarHBondContact O-N 3.06Å; S78-K81 CarbonylContact O-C 3.57Å; S78-S82 WeakPolarHBondContact O-CA 3.39Å; S78-S82 WeakPolarHBondContact O-CB 3.45Å; S78-S82 PolarHBondContact O-N 2.69Å |
| 79 | L | 85.3 | Confident | 85.4 | Confident | 90 Ų | 90 | 100 Ų | 100 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 174.3 | -79.4 | 171.6 | 0 | 0 | 0 | 111.4 | L75 L76 S82 N85 | L75-L79 HydrophobicContact CD2-CD1 3.42Å; L75-L79 VanDerWaalsContact CD2-CD1 3.42Å; L75-L79 HydrophobicContact CD2-CG 4Å; L75-L79 PolarHBondContact O-N 2.8Å; L76-L79 PolarHBondContact O-N 2.93Å; L79-S82 VanDerWaalsContact O-CB 3.23Å; L79-S82 WeakPolarHBondContact O-CB 3.21Å; L79-S82 PolarHBondContact O-N 3.41Å; L79-S82 PolarHBondContact O-OG 3.47Å; L79-N85 PolarHBondContact O-ND2 3.38Å |
| 80 | M | 80.4 | Confident | 85.4 | Confident | 121 Ų | 121 | 100.7 Ų | 100.7 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 175.8 | -74.5 | -165.9 | -67.3 | 0 | 0 | 111.9 | L76 L77 S82 | L76-M80 PolarHBondContact O-N 3.43Å; L77-M80 HydrophobicContact CD2-CE 3.99Å; L77-M80 PolarHBondContact O-N 3.04Å; M80-S82 PolarHBondContact O-N 3.06Å |
| 81 | K | 81.8 | Confident | 85.4 | Confident | 156 Ų | 156 | 101.7 Ų | 101.7 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 2.3 | 176 | -66.7 | -178.4 | 177.7 | -178.2 | 0 | 113.5 | L77 S78 S83 | L77-K81 VanDerWaalsContact O-CB 3.26Å; L77-K81 WeakPolarHBondContact O-CB 3.43Å; L77-K81 WeakPolarHBondContact O-CG 3.2Å; L77-K81 PolarHBondContact O-N 2.68Å; S78-K81 CarbonylContact O-C 3.57Å; K81-S83 PolarHBondContact O-N 2.88Å |
| 82 | S | 82.5 | Confident | 85.5 | Confident | 35 Ų | 35 | 101.5 Ų | 101.5 | 25% | 0.245 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -60.1 | 137.1 | 177.1 | 70.6 | 0 | 0 | 0 | 0 | 108.7 | S78 L79 M80 R84 N85 M86 | S78-S82 WeakPolarHBondContact O-CA 3.39Å; S78-S82 WeakPolarHBondContact O-CB 3.45Å; S78-S82 PolarHBondContact O-N 2.69Å; L79-S82 VanDerWaalsContact O-CB 3.23Å; L79-S82 WeakPolarHBondContact O-CB 3.21Å; L79-S82 PolarHBondContact O-N 3.41Å; L79-S82 PolarHBondContact O-OG 3.47Å; M80-S82 PolarHBondContact O-N 3.06Å; S82-R84 PolarHBondContact O-N 3.15Å; S82-N85 PolarHBondContact O-N 3.17Å; S82-N85 PolarHBondContact OG-ND2 3.38Å; S82-M86 PolarHBondContact O-N 3.28Å |
| 83 | S | 81.9 | Confident | 85.6 | Confident | 90 Ų | 90 | 102.9 Ų | 102.9 | 63% | 0.629 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -52.9 | -34.4 | -178.7 | 56.9 | 0 | 0 | 0 | 0 | 112 | K81 N87 | K81-S83 PolarHBondContact O-N 2.88Å; S83-N87 WeakPolarHBondContact O-CB 3.47Å; S83-N87 PolarHBondContact O-N 3.48Å; S83-N87 PolarHBondContact O-ND2 3.48Å; S83-N87 PolarHBondContact O-OD1 3.01Å |
| 84 | R | 83.2 | Confident | 85.8 | Confident | 166 Ų | 166 | 103.6 Ų | 103.6 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 176.6 | -168.9 | 176.4 | -175.8 | 178 | 2.2 | 113.1 | S82 R88 | S82-R84 PolarHBondContact O-N 3.15Å; R84-R88 WeakPolarHBondContact O-CB 3.44Å; R84-R88 WeakPolarHBondContact O-CD 3.42Å; R84-R88 WeakPolarHBondContact O-CG 3.45Å; R84-R88 PolarHBondContact O-N 3.02Å; R84-R88 VanDerWaalsContact O-N 3.15Å |
| 85 | N | 83.6 | Confident | 86 | Confident | 63 Ų | 63 | 105.5 Ų | 105.5 | 34% | 0.337 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -79 | -37.7 | -179.6 | -74.5 | -18.6 | 0 | 0 | 0 | 111.9 | L79 S82 R88 S89 | L79-N85 PolarHBondContact O-ND2 3.38Å; S82-N85 PolarHBondContact O-N 3.17Å; S82-N85 PolarHBondContact OG-ND2 3.38Å; N85-R88 PolarHBondContact O-N 3.09Å; N85-S89 PolarHBondContact O-N 3.46Å |
| 86 | M | 84.3 | Confident | 86.2 | Confident | 109 Ų | 109 | 105.8 Ų | 105.8 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 172.2 | -70.5 | -60.2 | -63.3 | 0 | 0 | 111.6 | S82 R88 S89 E90 | S82-M86 PolarHBondContact O-N 3.28Å; M86-R88 VanDerWaalsContact C-N 3.27Å; M86-R88 PolarHBondContact O-N 3.35Å; M86-S89 WeakPolarHBondContact O-CB 3.47Å; M86-S89 PolarHBondContact O-N 3.06Å; M86-S89 VanDerWaalsContact O-N 3.11Å; M86-E90 PolarHBondContact O-N 3.46Å |
| 87 | N | 85.6 | Confident | 86.5 | Confident | 87 Ų | 87 | 104 Ų | 104 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -32.3 | 177.5 | -68.2 | -9.4 | 0 | 0 | 0 | 112.3 | S83 K91 | S83-N87 WeakPolarHBondContact O-CB 3.47Å; S83-N87 PolarHBondContact O-N 3.48Å; S83-N87 PolarHBondContact O-ND2 3.48Å; S83-N87 PolarHBondContact O-OD1 3.01Å; N87-K91 WeakPolarHBondContact O-CB 3.48Å; N87-K91 WeakPolarHBondContact O-CG 3.47Å; N87-K91 PolarHBondContact O-N 2.97Å |
| 88 | R | 86.1 | Confident | 86.9 | Confident | 123 Ų | 123 | 105.4 Ų | 105.4 | 46% | 0.464 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 172.1 | -80.3 | 170.3 | 171.4 | 175.2 | -8.2 | 111.4 | R84 N85 M86 E90 K91 N92 | R84-R88 WeakPolarHBondContact O-CB 3.44Å; R84-R88 WeakPolarHBondContact O-CD 3.42Å; R84-R88 WeakPolarHBondContact O-CG 3.45Å; R84-R88 PolarHBondContact O-N 3.02Å; R84-R88 VanDerWaalsContact O-N 3.15Å; N85-R88 PolarHBondContact O-N 3.09Å; M86-R88 VanDerWaalsContact C-N 3.27Å; M86-R88 PolarHBondContact O-N 3.35Å; R88-E90 VanDerWaalsContact C-N 3.34Å; R88-E90 PolarHBondContact O-N 3.14Å; R88-K91 PolarHBondContact O-N 2.98Å; R88-N92 WeakPolarHBondContact O-CB 3.46Å; R88-N92 PolarHBondContact O-N 3.09Å; R88-N92 PolarHBondContact O-OD1 3.01Å |
| 89 | S | 84.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 107 Ų | 107 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 177.6 | -167.6 | 0 | 0 | 0 | 0 | 112 | N85 M86 N92 Y93 | N85-S89 PolarHBondContact O-N 3.46Å; M86-S89 WeakPolarHBondContact O-CB 3.47Å; M86-S89 PolarHBondContact O-N 3.06Å; M86-S89 VanDerWaalsContact O-N 3.11Å; S89-N92 PolarHBondContact O-N 3.03Å; S89-Y93 WeakPolarHBondContact O-CB 3.39Å; S89-Y93 PolarHBondContact O-N 3.1Å |
| 90 | E | 88.5 | Confident | 87.7 | Confident | 124 Ų | 124 | 107.1 Ų | 107.1 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 177.7 | -172.4 | 170.4 | -158.1 | 0 | 0 | 111.8 | M86 R88 Y93 M94 | M86-E90 PolarHBondContact O-N 3.46Å; R88-E90 VanDerWaalsContact C-N 3.34Å; R88-E90 PolarHBondContact O-N 3.14Å; E90-Y93 PolarHBondContact O-N 3.48Å; E90-M94 WeakPolarHBondContact O-CG 3.48Å; E90-M94 PolarHBondContact O-N 3.17Å |
| 91 | K | 89.5 | Confident | 88.4 | Confident | 149 Ų | 149 | 106.7 Ų | 106.7 | 65% | 0.648 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.9 | -46.5 | 172 | -76.7 | 176.9 | -178.9 | -168.9 | 0 | 112.1 | N87 R88 Y93 M94 E95 | N87-K91 WeakPolarHBondContact O-CB 3.48Å; N87-K91 WeakPolarHBondContact O-CG 3.47Å; N87-K91 PolarHBondContact O-N 2.97Å; R88-K91 PolarHBondContact O-N 2.98Å; K91-Y93 VanDerWaalsContact C-N 3.28Å; K91-Y93 PolarHBondContact O-N 2.99Å; K91-M94 PolarHBondContact O-N 3.39Å; K91-E95 WeakPolarHBondContact O-CB 3.49Å; K91-E95 PolarHBondContact O-N 2.96Å |
| 92 | N | 89.6 | Confident | 89 | Confident | 104 Ų | 104 | 102.3 Ų | 102.3 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -37.3 | 177.2 | -67.6 | -3.5 | 0 | 0 | 0 | 111.6 | R88 S89 L96 | R88-N92 WeakPolarHBondContact O-CB 3.46Å; R88-N92 PolarHBondContact O-N 3.09Å; R88-N92 PolarHBondContact O-OD1 3.01Å; S89-N92 PolarHBondContact O-N 3.03Å; N92-L96 VanDerWaalsContact O-CB 3.3Å; N92-L96 WeakPolarHBondContact O-CB 3.33Å; N92-L96 PolarHBondContact O-N 3.41Å |
| 93 | Y | 90.3 | Very high | 89.6 | Confident | 155 Ų | 155 | 106.4 Ų | 106.4 | 61% | 0.608 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.8 | -46.3 | 175.9 | 178.5 | -99.7 | 0 | 0 | 0 | 111.7 | S89 E90 K91 E95 L96 C97 | S89-Y93 WeakPolarHBondContact O-CB 3.39Å; S89-Y93 PolarHBondContact O-N 3.1Å; E90-Y93 PolarHBondContact O-N 3.48Å; K91-Y93 VanDerWaalsContact C-N 3.28Å; K91-Y93 PolarHBondContact O-N 2.99Å; Y93-E95 VanDerWaalsContact C-N 3.35Å; Y93-E95 PolarHBondContact O-N 2.95Å; Y93-L96 WeakPolarHBondContact O-CB 3.42Å; Y93-L96 PolarHBondContact O-N 3.3Å; Y93-C97 PolarHBondContact O-N 2.92Å; Y93-C97 PolarHBondContact O-SG 3.36Å; Y93-C97 VanDerWaalsContact O-SG 3.4Å |
| 94 | M | 91.8 | Very high | 90.2 | Very high | 117 Ų | 117 | 107.3 Ų | 107.3 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 175.6 | -70.9 | -133.5 | 70.6 | 0 | 0 | 112.2 | E90 K91 L96 C97 L98 | E90-M94 WeakPolarHBondContact O-CG 3.48Å; E90-M94 PolarHBondContact O-N 3.17Å; K91-M94 PolarHBondContact O-N 3.39Å; M94-L96 VanDerWaalsContact C-N 3.34Å; M94-C97 PolarHBondContact O-N 3.48Å; M94-L98 WeakPolarHBondContact O-CG 3.31Å; M94-L98 PolarHBondContact O-N 3.25Å |
| 95 | E | 92.3 | Very high | 90.7 | Very high | 115 Ų | 115 | 104.2 Ų | 104.2 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 175 | -172.1 | 173.5 | -175.7 | 0 | 0 | 111.3 | K91 Y93 C97 L98 L99 | K91-E95 WeakPolarHBondContact O-CB 3.49Å; K91-E95 PolarHBondContact O-N 2.96Å; Y93-E95 VanDerWaalsContact C-N 3.35Å; Y93-E95 PolarHBondContact O-N 2.95Å; E95-C97 PolarHBondContact O-N 3.31Å; E95-L98 PolarHBondContact O-N 2.9Å; E95-L99 HydrophobicContact CG-CD1 4.25Å; E95-L99 WeakPolarHBondContact O-CB 3.3Å; E95-L99 VanDerWaalsContact O-CG 3.31Å; E95-L99 WeakPolarHBondContact O-CG 3.47Å; E95-L99 PolarHBondContact O-N 3.4Å |
| 96 | L | 92.4 | Very high | 91.3 | Very high | 107 Ų | 107 | 108.6 Ų | 108.6 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 175 | -176 | 66.3 | 0 | 0 | 0 | 112.1 | N92 Y93 M94 L99 L100 | N92-L96 VanDerWaalsContact O-CB 3.3Å; N92-L96 WeakPolarHBondContact O-CB 3.33Å; N92-L96 PolarHBondContact O-N 3.41Å; Y93-L96 WeakPolarHBondContact O-CB 3.42Å; Y93-L96 PolarHBondContact O-N 3.3Å; M94-L96 VanDerWaalsContact C-N 3.34Å; L96-L99 PolarHBondContact O-N 3.03Å; L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 PolarHBondContact O-N 3.28Å |
| 97 | C | 92 | Very high | 91.8 | Very high | 53 Ų | 53 | 107.2 Ų | 107.2 | 36% | 0.358 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.5 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | Y93 M94 E95 L100 Q101 | Y93-C97 PolarHBondContact O-N 2.92Å; Y93-C97 PolarHBondContact O-SG 3.36Å; Y93-C97 VanDerWaalsContact O-SG 3.4Å; M94-C97 PolarHBondContact O-N 3.48Å; E95-C97 PolarHBondContact O-N 3.31Å; C97-L100 PolarHBondContact O-N 2.87Å; C97-Q101 PolarHBondContact O-N 2.99Å |
| 98 | L | 93.3 | Very high | 92.3 | Very high | 107 Ų | 107 | 105.8 Ų | 105.8 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.8 | -41.3 | 176.4 | -70.2 | 170.4 | 0 | 0 | 0 | 111.9 | M94 E95 L100 Q101 T102 | M94-L98 WeakPolarHBondContact O-CG 3.31Å; M94-L98 PolarHBondContact O-N 3.25Å; E95-L98 PolarHBondContact O-N 2.9Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 2.91Å; L98-Q101 PolarHBondContact O-N 2.88Å; L98-T102 WeakPolarHBondContact O-CG2 3.37Å; L98-T102 PolarHBondContact O-N 3.28Å; L98-T102 PolarHBondContact O-OG1 3.48Å |
| 99 | L | 94.2 | Very high | 92.8 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | 175.3 | -72.2 | 173.1 | 0 | 0 | 0 | 112.1 | E95 L96 T102 K103 | E95-L99 HydrophobicContact CG-CD1 4.25Å; E95-L99 WeakPolarHBondContact O-CB 3.3Å; E95-L99 VanDerWaalsContact O-CG 3.31Å; E95-L99 WeakPolarHBondContact O-CG 3.47Å; E95-L99 PolarHBondContact O-N 3.4Å; L96-L99 PolarHBondContact O-N 3.03Å; L99-T102 WeakPolarHBondContact CA-OG1 3.44Å; L99-T102 PolarHBondContact O-OG1 2.95Å; L99-K103 VanDerWaalsContact O-CB 3.3Å; L99-K103 WeakPolarHBondContact O-CB 3.48Å; L99-K103 PolarHBondContact O-N 2.93Å |
| 100 | L | 94.3 | Very high | 93.3 | Very high | 93 Ų | 93 | 105 Ų | 105 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -46.6 | 175.6 | -162.1 | 96.5 | 0 | 0 | 0 | 111 | L96 C97 L98 K103 E104 | L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 PolarHBondContact O-N 3.28Å; C97-L100 PolarHBondContact O-N 2.87Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 2.91Å; L100-K103 WeakPolarHBondContact O-CB 3.42Å; L100-K103 PolarHBondContact O-N 3.35Å; L100-E104 WeakPolarHBondContact O-CG 3.3Å; L100-E104 PolarHBondContact O-N 3.29Å |
| 101 | Q | 94.2 | Very high | 93.6 | Very high | 112 Ų | 112 | 105.6 Ų | 105.6 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 179.1 | -172.3 | 173.9 | 5.1 | 0 | 0 | 111.7 | C97 L98 K103 E104 D105 | C97-Q101 PolarHBondContact O-N 2.99Å; L98-Q101 PolarHBondContact O-N 2.88Å; Q101-K103 VanDerWaalsContact C-N 3.31Å; Q101-K103 PolarHBondContact O-N 2.95Å; Q101-E104 PolarHBondContact O-N 3.24Å; Q101-D105 PolarHBondContact O-N 2.95Å |
| 102 | T | 93.8 | Very high | 93.9 | Very high | 63 Ų | 63 | 101.5 Ų | 101.5 | 39% | 0.387 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 176 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | L98 L99 D105 Y106 | L98-T102 WeakPolarHBondContact O-CG2 3.37Å; L98-T102 PolarHBondContact O-N 3.28Å; L98-T102 PolarHBondContact O-OG1 3.48Å; L99-T102 WeakPolarHBondContact CA-OG1 3.44Å; L99-T102 PolarHBondContact O-OG1 2.95Å; T102-D105 PolarHBondContact O-N 3.39Å; T102-Y106 WeakPolarHBondContact O-CD2 3Å; T102-Y106 PolarHBondContact O-N 2.86Å |
| 103 | K | 95 | Very high | 94.2 | Very high | 121 Ų | 121 | 101 Ų | 101 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 172.7 | -179.8 | -168.2 | 165.2 | -167.1 | 0 | 111.5 | L99 L100 Q101 D105 Y106 E107 | L99-K103 VanDerWaalsContact O-CB 3.3Å; L99-K103 WeakPolarHBondContact O-CB 3.48Å; L99-K103 PolarHBondContact O-N 2.93Å; L100-K103 WeakPolarHBondContact O-CB 3.42Å; L100-K103 PolarHBondContact O-N 3.35Å; Q101-K103 VanDerWaalsContact C-N 3.31Å; Q101-K103 PolarHBondContact O-N 2.95Å; K103-D105 VanDerWaalsContact C-N 3.33Å; K103-D105 PolarHBondContact O-N 2.93Å; K103-Y106 PolarHBondContact O-N 3.32Å; K103-E107 WeakPolarHBondContact CE-OE1 3.36Å; K103-E107 IonicContact NZ-OE1 3.32Å; K103-E107 WeakPolarHBondContact O-CB 3.49Å; K103-E107 WeakPolarHBondContact O-CG 3.4Å; K103-E107 PolarHBondContact O-N 2.89Å |
| 104 | E | 95.2 | Very high | 94.4 | Very high | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 177.5 | -72.2 | 174.4 | 179.2 | 0 | 0 | 111.7 | L100 Q101 E107 A108 | L100-E104 WeakPolarHBondContact O-CG 3.3Å; L100-E104 PolarHBondContact O-N 3.29Å; Q101-E104 PolarHBondContact O-N 3.24Å; E104-E107 PolarHBondContact O-N 3.47Å; E104-A108 WeakPolarHBondContact O-CB 3.43Å; E104-A108 PolarHBondContact O-N 3.32Å |
| 105 | D | 94.8 | Very high | 94.7 | Very high | 100 Ų | 100 | 99.1 Ų | 99.1 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 175.7 | -68.2 | -28.5 | 0 | 0 | 0 | 111.8 | Q101 T102 K103 A108 L109 | Q101-D105 PolarHBondContact O-N 2.95Å; T102-D105 PolarHBondContact O-N 3.39Å; K103-D105 VanDerWaalsContact C-N 3.33Å; K103-D105 PolarHBondContact O-N 2.93Å; D105-A108 PolarHBondContact O-N 3.23Å; D105-L109 PolarHBondContact O-N 2.99Å |
| 106 | Y | 95.1 | Very high | 94.9 | Very high | 156 Ų | 156 | 97.9 Ų | 97.9 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -37.8 | 175.2 | -75.1 | -59.4 | 0 | 0 | 0 | 112.2 | T102 K103 L109 I110 | T102-Y106 WeakPolarHBondContact O-CD2 3Å; T102-Y106 PolarHBondContact O-N 2.86Å; K103-Y106 PolarHBondContact O-N 3.32Å; Y106-L109 PolarHBondContact O-N 2.98Å; Y106-I110 WeakPolarHBondContact O-CB 3.47Å; Y106-I110 WeakPolarHBondContact O-CD1 3.41Å; Y106-I110 WeakPolarHBondContact O-CG1 3.44Å; Y106-I110 PolarHBondContact O-N 3.03Å |
| 107 | E | 95.5 | Very high | 95 | Very high | 80 Ų | 80 | 97.8 Ų | 97.8 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.4 | -78.1 | -174.3 | -176.7 | 0 | 0 | 111.9 | K103 E104 I110 K111 | K103-E107 WeakPolarHBondContact CE-OE1 3.36Å; K103-E107 IonicContact NZ-OE1 3.32Å; K103-E107 WeakPolarHBondContact O-CB 3.49Å; K103-E107 WeakPolarHBondContact O-CG 3.4Å; K103-E107 PolarHBondContact O-N 2.89Å; E104-E107 PolarHBondContact O-N 3.47Å; E107-I110 PolarHBondContact O-N 3.3Å; E107-K111 WeakPolarHBondContact O-CB 3.48Å; E107-K111 VanDerWaalsContact O-CG 3.26Å; E107-K111 WeakPolarHBondContact O-CG 3.2Å; E107-K111 PolarHBondContact O-N 3.43Å |
| 108 | A | 95.3 | Very high | 95.2 | Very high | 56 Ų | 56 | 98 Ų | 98 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | E104 D105 K111 S112 | E104-A108 WeakPolarHBondContact O-CB 3.43Å; E104-A108 PolarHBondContact O-N 3.32Å; D105-A108 PolarHBondContact O-N 3.23Å; A108-K111 PolarHBondContact O-N 3.03Å; A108-S112 PolarHBondContact O-N 3.47Å |
| 109 | L | 96.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 97.2 Ų | 97.2 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 175.5 | -174.7 | 66 | 0 | 0 | 0 | 111.4 | D105 Y106 K111 S112 L113 | D105-L109 PolarHBondContact O-N 2.99Å; Y106-L109 PolarHBondContact O-N 2.98Å; L109-K111 VanDerWaalsContact C-N 3.3Å; L109-K111 PolarHBondContact O-N 2.9Å; L109-S112 PolarHBondContact O-N 3.29Å; L109-S112 PolarHBondContact O-OG 2.93Å; L109-L113 HydrophobicContact CG-CD1 4.11Å; L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 2.92Å |
| 110 | I | 95.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 96.5 Ų | 96.5 | 46% | 0.456 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 176.5 | -71 | 164.4 | 0 | 0 | 0 | 110.8 | Y106 E107 L113 K114 | Y106-I110 WeakPolarHBondContact O-CB 3.47Å; Y106-I110 WeakPolarHBondContact O-CD1 3.41Å; Y106-I110 WeakPolarHBondContact O-CG1 3.44Å; Y106-I110 PolarHBondContact O-N 3.03Å; E107-I110 PolarHBondContact O-N 3.3Å; I110-L113 PolarHBondContact O-N 3.46Å; I110-K114 HydrophobicContact CG2-CD 4.15Å; I110-K114 HydrophobicContact CG2-CG 4.44Å; I110-K114 WeakPolarHBondContact O-CB 2.93Å; I110-K114 VanDerWaalsContact O-CG 3.31Å; I110-K114 WeakPolarHBondContact O-CG 3.31Å; I110-K114 PolarHBondContact O-N 3.47Å |
| 111 | K | 95.9 | Very high | 95.4 | Very high | 136 Ų | 136 | 96 Ų | 96 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.1 | -47.2 | 175.8 | -75 | 168.4 | -174.8 | 168.2 | 0 | 111.1 | E107 A108 L109 L113 K114 V115 | E107-K111 WeakPolarHBondContact O-CB 3.48Å; E107-K111 VanDerWaalsContact O-CG 3.26Å; E107-K111 WeakPolarHBondContact O-CG 3.2Å; E107-K111 PolarHBondContact O-N 3.43Å; A108-K111 PolarHBondContact O-N 3.03Å; L109-K111 VanDerWaalsContact C-N 3.3Å; L109-K111 PolarHBondContact O-N 2.9Å; K111-L113 PolarHBondContact O-N 2.84Å; K111-K114 PolarHBondContact O-N 2.72Å; K111-V115 WeakPolarHBondContact O-CG2 3.42Å; K111-V115 PolarHBondContact O-N 3.17Å; K111-V115 VanDerWaalsContact O-N 3.08Å |
| 112 | S | 95.4 | Very high | 95.5 | Very high | 64 Ų | 64 | 96.8 Ų | 96.8 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 178.2 | 73 | 0 | 0 | 0 | 0 | 112.7 | A108 L109 V115 L116 | A108-S112 PolarHBondContact O-N 3.47Å; L109-S112 PolarHBondContact O-N 3.29Å; L109-S112 PolarHBondContact O-OG 2.93Å; S112-V115 PolarHBondContact O-N 3.08Å; S112-L116 PolarHBondContact O-N 3.37Å |
| 113 | L | 95.1 | Very high | 95.6 | Very high | 93 Ų | 93 | 99.5 Ų | 99.5 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 177.1 | -72.2 | 172.7 | 0 | 0 | 0 | 111.8 | L109 I110 K111 V115 L116 L117 | L109-L113 HydrophobicContact CG-CD1 4.11Å; L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 3.46Å; K111-L113 PolarHBondContact O-N 2.84Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 3.12Å; L113-L116 PolarHBondContact O-N 3.34Å; L113-L117 WeakPolarHBondContact O-CB 3.42Å; L113-L117 PolarHBondContact O-N 2.98Å |
| 114 | K | 95.7 | Very high | 95.7 | Very high | 147 Ų | 147 | 97.8 Ų | 97.8 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 174.7 | -78 | 179.5 | 177.2 | -175.4 | 0 | 112.4 | I110 K111 L117 A118 | I110-K114 HydrophobicContact CG2-CD 4.15Å; I110-K114 HydrophobicContact CG2-CG 4.44Å; I110-K114 WeakPolarHBondContact O-CB 2.93Å; I110-K114 VanDerWaalsContact O-CG 3.31Å; I110-K114 WeakPolarHBondContact O-CG 3.31Å; I110-K114 PolarHBondContact O-N 3.47Å; K111-K114 PolarHBondContact O-N 2.72Å; K114-L117 PolarHBondContact O-N 3.49Å; K114-A118 PolarHBondContact O-N 3.18Å |
| 115 | V | 96.1 | Very high | 95.7 | Very high | 85 Ų | 85 | 95.7 Ų | 95.7 | 52% | 0.515 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | K111 S112 L113 L117 A118 E119 | K111-V115 WeakPolarHBondContact O-CG2 3.42Å; K111-V115 PolarHBondContact O-N 3.17Å; K111-V115 VanDerWaalsContact O-N 3.08Å; S112-V115 PolarHBondContact O-N 3.08Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 3.12Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 2.98Å; V115-A118 WeakPolarHBondContact O-CB 3.37Å; V115-A118 PolarHBondContact O-N 3.26Å; V115-E119 PolarHBondContact O-N 3.33Å |
| 116 | L | 96.4 | Very high | 95.7 | Very high | 89 Ų | 89 | 95.5 Ų | 95.5 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 177.1 | -176.6 | 67.7 | 0 | 0 | 0 | 112.2 | S112 L113 E119 L120 | S112-L116 PolarHBondContact O-N 3.37Å; L113-L116 PolarHBondContact O-N 3.34Å; L116-E119 PolarHBondContact O-N 3.04Å; L116-L120 HydrophobicContact CG-CD1 4.43Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 3.34Å |
| 117 | L | 95.4 | Very high | 95.7 | Very high | 105 Ų | 105 | 92.9 Ų | 92.9 | 55% | 0.55 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 178.2 | -145.6 | 149.6 | 0 | 0 | 0 | 110.9 | L113 K114 V115 E119 L120 D121 | L113-L117 WeakPolarHBondContact O-CB 3.42Å; L113-L117 PolarHBondContact O-N 2.98Å; K114-L117 PolarHBondContact O-N 3.49Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 2.98Å; L117-E119 PolarHBondContact O-N 3.43Å; L117-L120 PolarHBondContact O-N 3.49Å; L117-D121 PolarHBondContact O-N 3.44Å |
| 118 | A | 95.9 | Very high | 95.7 | Very high | 58 Ų | 58 | 94.7 Ų | 94.7 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K114 V115 L120 D121 E122 | K114-A118 PolarHBondContact O-N 3.18Å; V115-A118 WeakPolarHBondContact O-CB 3.37Å; V115-A118 PolarHBondContact O-N 3.26Å; A118-L120 VanDerWaalsContact C-N 3.35Å; A118-D121 PolarHBondContact O-N 3.23Å; A118-E122 PolarHBondContact O-N 3.02Å |
| 119 | E | 96.1 | Very high | 95.7 | Very high | 91 Ų | 91 | 98.4 Ų | 98.4 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 175.1 | -70.8 | 177.5 | -168.5 | 0 | 0 | 112.5 | V115 L116 L117 K123 | V115-E119 PolarHBondContact O-N 3.33Å; L116-E119 PolarHBondContact O-N 3.04Å; L117-E119 PolarHBondContact O-N 3.43Å; E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 2.9Å; E119-K123 VanDerWaalsContact O-N 3.12Å |
| 120 | L | 95.7 | Very high | 95.6 | Very high | 87 Ų | 87 | 99.3 Ų | 99.3 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.2 | -42 | 175.7 | -72.1 | 175 | 0 | 0 | 0 | 111.4 | L116 L117 A118 E122 K123 I124 | L116-L120 HydrophobicContact CG-CD1 4.43Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 3.34Å; L117-L120 PolarHBondContact O-N 3.49Å; A118-L120 VanDerWaalsContact C-N 3.35Å; L120-E122 VanDerWaalsContact C-N 3.31Å; L120-E122 PolarHBondContact O-N 3.45Å; L120-K123 PolarHBondContact O-N 3.26Å; L120-I124 VanDerWaalsContact O-CG1 3.29Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 2.96Å |
| 121 | D | 95.4 | Very high | 95.6 | Very high | 82 Ų | 82 | 98.8 Ų | 98.8 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 175 | -73.6 | -23.4 | 0 | 0 | 0 | 111.3 | L117 A118 K123 I124 V125 | L117-D121 PolarHBondContact O-N 3.44Å; A118-D121 PolarHBondContact O-N 3.23Å; D121-K123 PolarHBondContact O-N 2.94Å; D121-I124 WeakPolarHBondContact O-CB 3.46Å; D121-I124 PolarHBondContact O-N 3.4Å; D121-V125 WeakPolarHBondContact O-CG2 3.5Å; D121-V125 PolarHBondContact O-N 2.88Å |
| 122 | E | 96.1 | Very high | 95.5 | Very high | 128 Ų | 128 | 94.8 Ų | 94.8 | 60% | 0.598 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.6 | -44 | 175.6 | -169.5 | 167.5 | -156.9 | 0 | 0 | 111.6 | A118 L120 I124 V125 E126 | A118-E122 PolarHBondContact O-N 3.02Å; L120-E122 VanDerWaalsContact C-N 3.31Å; L120-E122 PolarHBondContact O-N 3.45Å; E122-I124 VanDerWaalsContact C-N 3.33Å; E122-I124 PolarHBondContact O-N 2.89Å; E122-V125 PolarHBondContact O-N 3.5Å; E122-E126 WeakPolarHBondContact O-CG 3.47Å; E122-E126 PolarHBondContact O-N 3.24Å |
| 123 | K | 96.2 | Very high | 95.4 | Very high | 120 Ų | 120 | 96.1 Ų | 96.1 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 174.1 | -75.4 | 172.7 | -177.8 | 163.3 | 0 | 112.7 | E119 L120 D121 E126 M127 | E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 2.9Å; E119-K123 VanDerWaalsContact O-N 3.12Å; L120-K123 PolarHBondContact O-N 3.26Å; D121-K123 PolarHBondContact O-N 2.94Å; K123-E126 PolarHBondContact O-N 2.96Å; K123-M127 WeakPolarHBondContact O-CB 3.35Å; K123-M127 WeakPolarHBondContact O-CG 3.38Å; K123-M127 PolarHBondContact O-N 3.45Å |
| 124 | I | 95.3 | Very high | 95.2 | Very high | 85 Ų | 85 | 98.2 Ų | 98.2 | 44% | 0.436 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 174.9 | -71.4 | 165.4 | 0 | 0 | 0 | 109.3 | L120 D121 E122 E126 M127 E128 | L120-I124 VanDerWaalsContact O-CG1 3.29Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 2.96Å; D121-I124 WeakPolarHBondContact O-CB 3.46Å; D121-I124 PolarHBondContact O-N 3.4Å; E122-I124 VanDerWaalsContact C-N 3.33Å; E122-I124 PolarHBondContact O-N 2.89Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 3.45Å; I124-M127 PolarHBondContact O-N 3.49Å; I124-M127 VanDerWaalsContact O-N 3.13Å; I124-E128 HydrophobicContact CG2-CG 4.26Å; I124-E128 WeakPolarHBondContact O-CB 3.29Å; I124-E128 WeakPolarHBondContact O-CG 3.33Å; I124-E128 PolarHBondContact O-N 3.01Å |
| 125 | V | 96.3 | Very high | 94.9 | Very high | 66 Ų | 66 | 98 Ų | 98 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 178.8 | 172 | 0 | 0 | 0 | 0 | 111.8 | D121 E122 E128 K129 | D121-V125 WeakPolarHBondContact O-CG2 3.5Å; D121-V125 PolarHBondContact O-N 2.88Å; E122-V125 PolarHBondContact O-N 3.5Å; V125-E128 PolarHBondContact O-N 3.43Å; V125-K129 HydrophobicContact CG1-CD 4.34Å; V125-K129 WeakPolarHBondContact O-CB 3.35Å; V125-K129 WeakPolarHBondContact O-CG 3.49Å; V125-K129 PolarHBondContact O-N 3.46Å |
| 126 | E | 95.7 | Very high | 94.6 | Very high | 97 Ų | 97 | 98.8 Ų | 98.8 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.6 | -74.5 | -173 | 172.6 | 0 | 0 | 112.7 | E122 K123 I124 K129 K130 | E122-E126 WeakPolarHBondContact O-CG 3.47Å; E122-E126 PolarHBondContact O-N 3.24Å; K123-E126 PolarHBondContact O-N 2.96Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 3.45Å; E126-K129 PolarHBondContact O-N 3.47Å; E126-K130 WeakPolarHBondContact O-CG 3.28Å; E126-K130 PolarHBondContact O-N 3.13Å |
| 127 | M | 95.1 | Very high | 94.2 | Very high | 101 Ų | 101 | 99.2 Ų | 99.2 | 50% | 0.498 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 178.1 | -73.3 | -60.3 | -63.2 | 0 | 0 | 111.7 | K123 I124 K129 K130 I131 | K123-M127 WeakPolarHBondContact O-CB 3.35Å; K123-M127 WeakPolarHBondContact O-CG 3.38Å; K123-M127 PolarHBondContact O-N 3.45Å; I124-M127 PolarHBondContact O-N 3.49Å; I124-M127 VanDerWaalsContact O-N 3.13Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 2.83Å; M127-K130 PolarHBondContact O-N 3.36Å; M127-K130 HydrophobicContact SD-CD 4Å; M127-I131 VanDerWaalsContact O-CG1 3.29Å; M127-I131 WeakPolarHBondContact O-CG1 3.4Å; M127-I131 PolarHBondContact O-N 3.19Å |
| 128 | E | 94 | Very high | 93.7 | Very high | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.8 | -42.9 | 173.1 | -73.9 | -178.7 | 160.9 | 0 | 0 | 111.7 | I124 V125 K130 I131 A132 | I124-E128 HydrophobicContact CG2-CG 4.26Å; I124-E128 WeakPolarHBondContact O-CB 3.29Å; I124-E128 WeakPolarHBondContact O-CG 3.33Å; I124-E128 PolarHBondContact O-N 3.01Å; V125-E128 PolarHBondContact O-N 3.43Å; E128-K130 PolarHBondContact O-N 2.88Å; E128-I131 PolarHBondContact O-N 2.94Å; E128-A132 WeakPolarHBondContact O-CB 3.38Å; E128-A132 PolarHBondContact O-N 3.27Å |
| 129 | K | 95.1 | Very high | 93.1 | Very high | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 173.1 | -76.8 | 173.9 | -177.9 | 172.5 | 0 | 112 | V125 E126 M127 A132 N133 | V125-K129 HydrophobicContact CG1-CD 4.34Å; V125-K129 WeakPolarHBondContact O-CB 3.35Å; V125-K129 WeakPolarHBondContact O-CG 3.49Å; V125-K129 PolarHBondContact O-N 3.46Å; E126-K129 PolarHBondContact O-N 3.47Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 2.83Å; K129-A132 PolarHBondContact O-N 2.98Å; K129-N133 WeakPolarHBondContact O-CB 3.36Å; K129-N133 VanDerWaalsContact O-CG 3.24Å; K129-N133 PolarHBondContact O-N 3.36Å; K129-N133 PolarHBondContact O-ND2 2.84Å |
| 130 | K | 95.8 | Very high | 92.5 | Very high | 111 Ų | 111 | 102.4 Ų | 102.4 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.3 | -73.2 | 169.6 | -175.7 | 163.9 | 0 | 111.5 | E126 M127 E128 N133 Q134 | E126-K130 WeakPolarHBondContact O-CG 3.28Å; E126-K130 PolarHBondContact O-N 3.13Å; M127-K130 PolarHBondContact O-N 3.36Å; M127-K130 HydrophobicContact SD-CD 4Å; E128-K130 PolarHBondContact O-N 2.88Å; K130-N133 PolarHBondContact O-N 3.43Å; K130-Q134 WeakPolarHBondContact O-CG 3.29Å; K130-Q134 PolarHBondContact O-N 3.3Å |
| 131 | I | 94.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 102.5 Ų | 102.5 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.8 | -68.5 | 166 | 0 | 0 | 0 | 110.7 | M127 E128 Q134 K135 | M127-I131 VanDerWaalsContact O-CG1 3.29Å; M127-I131 WeakPolarHBondContact O-CG1 3.4Å; M127-I131 PolarHBondContact O-N 3.19Å; E128-I131 PolarHBondContact O-N 2.94Å; I131-Q134 PolarHBondContact O-N 2.89Å; I131-K135 HydrophobicContact CG2-CD 4.12Å; I131-K135 HydrophobicContact CG2-CG 4.43Å; I131-K135 WeakPolarHBondContact O-CB 3.46Å; I131-K135 WeakPolarHBondContact O-CG 3.41Å; I131-K135 PolarHBondContact O-N 2.91Å |
| 132 | A | 93.8 | Very high | 91 | Very high | 53 Ų | 53 | 104 Ų | 104 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E128 K129 Q134 K135 Q136 | E128-A132 WeakPolarHBondContact O-CB 3.38Å; E128-A132 PolarHBondContact O-N 3.27Å; K129-A132 PolarHBondContact O-N 2.98Å; A132-Q134 PolarHBondContact O-N 2.9Å; A132-K135 PolarHBondContact O-N 3.49Å; A132-Q136 WeakPolarHBondContact O-CB 3.5Å; A132-Q136 PolarHBondContact O-N 3.42Å |
| 133 | N | 93.1 | Very high | 90 | Very high | 91 Ų | 91 | 104.3 Ų | 104.3 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.8 | -71.3 | -15.5 | 0 | 0 | 0 | 111.9 | K129 K130 Q136 I137 | K129-N133 WeakPolarHBondContact O-CB 3.36Å; K129-N133 VanDerWaalsContact O-CG 3.24Å; K129-N133 PolarHBondContact O-N 3.36Å; K129-N133 PolarHBondContact O-ND2 2.84Å; K130-N133 PolarHBondContact O-N 3.43Å; N133-Q136 PolarHBondContact O-N 2.95Å; N133-I137 VanDerWaalsContact O-CG1 3.28Å; N133-I137 WeakPolarHBondContact O-CG1 3.3Å; N133-I137 PolarHBondContact O-N 3.35Å |
| 134 | Q | 90.8 | Very high | 88.9 | Confident | 137 Ų | 137 | 102.4 Ų | 102.4 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 176.3 | -75.5 | 179.4 | -7.3 | 0 | 0 | 112.2 | K130 I131 A132 Q136 I137 F138 | K130-Q134 WeakPolarHBondContact O-CG 3.29Å; K130-Q134 PolarHBondContact O-N 3.3Å; I131-Q134 PolarHBondContact O-N 2.89Å; A132-Q134 PolarHBondContact O-N 2.9Å; Q134-Q136 VanDerWaalsContact C-N 3.3Å; Q134-Q136 PolarHBondContact O-N 3.3Å; Q134-I137 PolarHBondContact O-N 3.3Å; Q134-F138 WeakPolarHBondContact O-CB 3.46Å; Q134-F138 PolarHBondContact O-N 2.91Å |
| 135 | K | 89.3 | Confident | 87.9 | Confident | 143 Ų | 143 | 104.2 Ų | 104.2 | 62% | 0.622 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.1 | -40.9 | 174.3 | -76.6 | 179.6 | 177.7 | 180 | 0 | 111.6 | I131 A132 F138 T139 | I131-K135 HydrophobicContact CG2-CD 4.12Å; I131-K135 HydrophobicContact CG2-CG 4.43Å; I131-K135 WeakPolarHBondContact O-CB 3.46Å; I131-K135 WeakPolarHBondContact O-CG 3.41Å; I131-K135 PolarHBondContact O-N 2.91Å; A132-K135 PolarHBondContact O-N 3.49Å; K135-F138 PolarHBondContact O-N 3.43Å; K135-T139 PolarHBondContact O-N 2.95Å; K135-T139 PolarHBondContact O-OG1 2.87Å |
| 136 | Q | 90.3 | Very high | 87.1 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 177.5 | -165.5 | -174.2 | 16.4 | 0 | 0 | 112.1 | A132 N133 Q134 T139 K140 | A132-Q136 WeakPolarHBondContact O-CB 3.5Å; A132-Q136 PolarHBondContact O-N 3.42Å; N133-Q136 PolarHBondContact O-N 2.95Å; Q134-Q136 VanDerWaalsContact C-N 3.3Å; Q134-Q136 PolarHBondContact O-N 3.3Å; Q136-T139 VanDerWaalsContact CA-OG1 3.3Å; Q136-T139 WeakPolarHBondContact CA-OG1 3.45Å; Q136-T139 PolarHBondContact O-OG1 3.31Å; Q136-K140 WeakPolarHBondContact O-CB 3.36Å; Q136-K140 WeakPolarHBondContact O-CG 3.25Å; Q136-K140 PolarHBondContact O-N 3.49Å |
| 137 | I | 88.1 | Confident | 86.5 | Confident | 98 Ų | 98 | 103.5 Ų | 103.5 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 175.6 | -68.3 | 164.2 | 0 | 0 | 0 | 110 | N133 Q134 T139 K140 I141 | N133-I137 VanDerWaalsContact O-CG1 3.28Å; N133-I137 WeakPolarHBondContact O-CG1 3.3Å; N133-I137 PolarHBondContact O-N 3.35Å; Q134-I137 PolarHBondContact O-N 3.3Å; I137-T139 PolarHBondContact O-N 3.06Å; I137-K140 PolarHBondContact O-N 3.03Å; I137-I141 HydrophobicContact CG2-CD1 3.63Å; I137-I141 HydrophobicContact CG2-CG1 4.33Å; I137-I141 VanDerWaalsContact O-CG1 3.25Å; I137-I141 WeakPolarHBondContact O-CG1 3.32Å; I137-I141 PolarHBondContact O-N 3.42Å |
| 138 | F | 85.4 | Confident | 86 | Confident | 134 Ų | 134 | 108.1 Ų | 108.1 | 59% | 0.588 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62 | -44 | 179 | -174.9 | -96 | 0 | 0 | 0 | 112.5 | Q134 K135 I141 Q142 | Q134-F138 WeakPolarHBondContact O-CB 3.46Å; Q134-F138 PolarHBondContact O-N 2.91Å; K135-F138 PolarHBondContact O-N 3.43Å; F138-I141 PolarHBondContact O-N 3.44Å; F138-Q142 WeakPolarHBondContact O-CB 3.38Å; F138-Q142 PolarHBondContact O-N 3.31Å |
| 139 | T | 82.5 | Confident | 85.6 | Confident | 67 Ų | 67 | 109.2 Ų | 109.2 | 41% | 0.411 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.1 | 30.2 | 0 | 0 | 0 | 0 | 111.8 | K135 Q136 I137 I141 Q142 E143 | K135-T139 PolarHBondContact O-N 2.95Å; K135-T139 PolarHBondContact O-OG1 2.87Å; Q136-T139 VanDerWaalsContact CA-OG1 3.3Å; Q136-T139 WeakPolarHBondContact CA-OG1 3.45Å; Q136-T139 PolarHBondContact O-OG1 3.31Å; I137-T139 PolarHBondContact O-N 3.06Å; T139-I141 VanDerWaalsContact C-N 3.34Å; T139-I141 PolarHBondContact O-N 2.68Å; T139-Q142 PolarHBondContact O-N 2.88Å; T139-E143 WeakPolarHBondContact O-CG 3.34Å; T139-E143 PolarHBondContact O-N 3.46Å |
| 140 | K | 85 | Confident | 85.2 | Confident | 120 Ų | 120 | 107.9 Ų | 107.9 | 52% | 0.522 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 174.7 | -73.6 | 176 | 180 | 177.3 | 0 | 112.6 | Q136 I137 E143 A144 | Q136-K140 WeakPolarHBondContact O-CB 3.36Å; Q136-K140 WeakPolarHBondContact O-CG 3.25Å; Q136-K140 PolarHBondContact O-N 3.49Å; I137-K140 PolarHBondContact O-N 3.03Å; K140-E143 PolarHBondContact O-N 3Å; K140-A144 WeakPolarHBondContact O-CB 3.38Å; K140-A144 PolarHBondContact O-N 3.22Å |
| 141 | I | 81.3 | Confident | 85 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 46% | 0.456 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 176.4 | -69.5 | 167.7 | 0 | 0 | 0 | 110.7 | I137 F138 T139 A144 N145 | I137-I141 HydrophobicContact CG2-CD1 3.63Å; I137-I141 HydrophobicContact CG2-CG1 4.33Å; I137-I141 VanDerWaalsContact O-CG1 3.25Å; I137-I141 WeakPolarHBondContact O-CG1 3.32Å; I137-I141 PolarHBondContact O-N 3.42Å; F138-I141 PolarHBondContact O-N 3.44Å; T139-I141 VanDerWaalsContact C-N 3.34Å; T139-I141 PolarHBondContact O-N 2.68Å; I141-A144 PolarHBondContact O-N 2.82Å; I141-N145 WeakPolarHBondContact O-CB 3Å; I141-N145 PolarHBondContact O-N 2.89Å |
| 142 | Q | 76.9 | Confident | 85 | Confident | 115 Ų | 115 | 112.5 Ų | 112.5 | 54% | 0.537 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.4 | -36.5 | 178 | -170.9 | 175.6 | 5.1 | 0 | 0 | 112.3 | F138 T139 N145 | F138-Q142 WeakPolarHBondContact O-CB 3.38Å; F138-Q142 PolarHBondContact O-N 3.31Å; T139-Q142 PolarHBondContact O-N 2.88Å; Q142-N145 CarbonylContact O-C 3.59Å |
| 143 | E | 75.1 | Confident | 84.9 | Confident | 133 Ų | 133 | 115.7 Ų | 115.7 | 62% | 0.621 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.4 | -41.7 | 174.4 | -75.4 | 176.8 | 177.5 | 0 | 0 | 112.3 | T139 K140 N146 | T139-E143 WeakPolarHBondContact O-CG 3.34Å; T139-E143 PolarHBondContact O-N 3.46Å; K140-E143 PolarHBondContact O-N 3Å; E143-N146 PolarHBondContact O-ND2 2.88Å |
| 144 | A | 73.4 | Confident | 85 | Confident | 81 Ų | 81 | 115 Ų | 115 | 67% | 0.669 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.2 | -47.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K140 I141 N146 | K140-A144 WeakPolarHBondContact O-CB 3.38Å; K140-A144 PolarHBondContact O-N 3.22Å; I141-A144 PolarHBondContact O-N 2.82Å; A144-N146 VanDerWaalsContact C-N 3.28Å; A144-N146 PolarHBondContact O-N 3.15Å; A144-N146 VanDerWaalsContact O-N 3.15Å |
| 145 | N | 74.1 | Confident | 85.3 | Confident | 123 Ų | 123 | 114 Ų | 114 | 66% | 0.658 | 55% | 0.554 | S | S | * | * | trans | -89.2 | 63.2 | 174.9 | -76 | -30.7 | 0 | 0 | 0 | 110.6 | I141 Q142 P147 | I141-N145 WeakPolarHBondContact O-CB 3Å; I141-N145 PolarHBondContact O-N 2.89Å; Q142-N145 CarbonylContact O-C 3.59Å; N145-P147 WeakPolarHBondContact O-CD 3.35Å | ||
| 146 | N | 80.1 | Confident | 85.6 | Confident | 57 Ų | 57 | 112.5 Ų | 112.5 | 31% | 0.305 | 55% | 0.552 | S | S | . | * | trans | -83.7 | 97 | 168.3 | -101.7 | -61.5 | 0 | 0 | 0 | 109.1 | E143 A144 R148 K149 L150 | E143-N146 PolarHBondContact O-ND2 2.88Å; A144-N146 VanDerWaalsContact C-N 3.28Å; A144-N146 PolarHBondContact O-N 3.15Å; A144-N146 VanDerWaalsContact O-N 3.15Å; N146-R148 PolarHBondContact O-N 2.93Å; N146-R148 VanDerWaalsContact O-N 3.09Å; N146-K149 HydrophobicContact CB-CB 4.09Å; N146-K149 HydrophobicContact CB-CD 3.96Å; N146-K149 HydrophobicContact CB-CG 3.95Å; N146-K149 PolarHBondContact O-N 3.09Å; N146-L150 PolarHBondContact O-N 3.21Å | ||
| 147 | P | 82.3 | Confident | 85.9 | Confident | 90 Ų | 90 | 112.6 Ų | 112.6 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.5 | -30.6 | -175.6 | 25.8 | -36.3 | 0 | 0 | 0 | 111.6 | N145 K149 L150 Q151 | N145-P147 WeakPolarHBondContact O-CD 3.35Å; P147-K149 PolarHBondContact O-N 3.08Å; P147-L150 PolarHBondContact O-N 3.34Å; P147-Q151 WeakPolarHBondContact O-CB 3.19Å; P147-Q151 PolarHBondContact O-N 2.8Å |
| 148 | R | 85.6 | Confident | 86.3 | Confident | 198 Ų | 198 | 112.6 Ų | 112.6 | 75% | 0.747 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.2 | -37.6 | 175.4 | -65 | -177.4 | 179.4 | -177.8 | -0.3 | 113.1 | N146 K152 | N146-R148 PolarHBondContact O-N 2.93Å; N146-R148 VanDerWaalsContact O-N 3.09Å; R148-K152 WeakPolarHBondContact O-CB 3.31Å; R148-K152 VanDerWaalsContact O-CG 3.25Å; R148-K152 WeakPolarHBondContact O-CG 3.33Å; R148-K152 PolarHBondContact O-N 2.84Å; R148-K152 VanDerWaalsContact O-N 3.07Å |
| 149 | K | 85.9 | Confident | 86.9 | Confident | 141 Ų | 141 | 109.5 Ų | 109.5 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.1 | -45 | 177.4 | -72.1 | -176.8 | -177.7 | 175.2 | 0 | 110.2 | N146 P147 Q151 K152 Q153 | N146-K149 HydrophobicContact CB-CB 4.09Å; N146-K149 HydrophobicContact CB-CD 3.96Å; N146-K149 HydrophobicContact CB-CG 3.95Å; N146-K149 PolarHBondContact O-N 3.09Å; P147-K149 PolarHBondContact O-N 3.08Å; K149-Q151 PolarHBondContact O-N 3.44Å; K149-K152 PolarHBondContact O-N 2.98Å; K149-Q153 WeakPolarHBondContact O-CB 3.35Å; K149-Q153 PolarHBondContact O-N 2.96Å |
| 150 | L | 87.1 | Confident | 87.6 | Confident | 105 Ų | 105 | 114.9 Ų | 114.9 | 55% | 0.55 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.7 | -45.2 | 176.4 | -175.7 | 63.3 | 0 | 0 | 0 | 111.4 | N146 P147 K152 Q153 I154 | N146-L150 PolarHBondContact O-N 3.21Å; P147-L150 PolarHBondContact O-N 3.34Å; L150-K152 PolarHBondContact O-N 3.35Å; L150-Q153 WeakPolarHBondContact O-CB 3.46Å; L150-Q153 PolarHBondContact O-N 3.5Å; L150-Q153 VanDerWaalsContact O-N 3.14Å; L150-I154 HydrophobicContact CG-CD1 4.06Å; L150-I154 WeakPolarHBondContact O-CG1 3.47Å; L150-I154 PolarHBondContact O-N 3.49Å |
| 151 | Q | 91.6 | Very high | 88.2 | Confident | 137 Ų | 137 | 114.4 Ų | 114.4 | 64% | 0.64 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.1 | -39 | 178.5 | -168 | 169.3 | 11.7 | 0 | 0 | 112.6 | P147 K149 Q153 I154 H155 | P147-Q151 WeakPolarHBondContact O-CB 3.19Å; P147-Q151 PolarHBondContact O-N 2.8Å; K149-Q151 PolarHBondContact O-N 3.44Å; Q151-Q153 VanDerWaalsContact C-N 3.32Å; Q151-Q153 PolarHBondContact O-N 3.48Å; Q151-I154 PolarHBondContact O-N 2.83Å; Q151-H155 WeakPolarHBondContact O-CB 3.5Å; Q151-H155 PolarHBondContact O-N 3.37Å |
| 152 | K | 92.8 | Very high | 89 | Confident | 149 Ų | 149 | 114.9 Ų | 114.9 | 65% | 0.648 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.4 | -41.9 | 170.9 | -76.4 | 176.7 | -178.7 | -170.6 | 0 | 111.6 | R148 K149 L150 H155 I156 | R148-K152 WeakPolarHBondContact O-CB 3.31Å; R148-K152 VanDerWaalsContact O-CG 3.25Å; R148-K152 WeakPolarHBondContact O-CG 3.33Å; R148-K152 PolarHBondContact O-N 2.84Å; R148-K152 VanDerWaalsContact O-N 3.07Å; K149-K152 PolarHBondContact O-N 2.98Å; L150-K152 PolarHBondContact O-N 3.35Å; K152-H155 PolarHBondContact O-N 3.14Å; K152-I156 WeakPolarHBondContact O-CD1 3.23Å; K152-I156 VanDerWaalsContact O-CG1 3.24Å; K152-I156 WeakPolarHBondContact O-CG1 3.38Å; K152-I156 PolarHBondContact O-N 3.4Å |
| 153 | Q | 93.2 | Very high | 90 | Very high | 121 Ų | 121 | 115.3 Ų | 115.3 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -42.6 | 178.9 | -168.1 | 169.9 | 5.4 | 0 | 0 | 111.8 | K149 L150 Q151 I156 L157 | K149-Q153 WeakPolarHBondContact O-CB 3.35Å; K149-Q153 PolarHBondContact O-N 2.96Å; L150-Q153 WeakPolarHBondContact O-CB 3.46Å; L150-Q153 PolarHBondContact O-N 3.5Å; L150-Q153 VanDerWaalsContact O-N 3.14Å; Q151-Q153 VanDerWaalsContact C-N 3.32Å; Q151-Q153 PolarHBondContact O-N 3.48Å; Q153-I156 PolarHBondContact O-N 3.34Å; Q153-L157 HydrophobicContact CG-CD1 4.45Å; Q153-L157 VanDerWaalsContact O-CG 3.31Å; Q153-L157 WeakPolarHBondContact O-CG 3.45Å; Q153-L157 PolarHBondContact O-N 3.07Å |
| 154 | I | 94 | Very high | 91.1 | Very high | 77 Ų | 77 | 113 Ų | 113 | 40% | 0.395 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -57.5 | -49.7 | 171.8 | -69.2 | 166.7 | 0 | 0 | 0 | 109.8 | L150 Q151 I156 L157 E158 | L150-I154 HydrophobicContact CG-CD1 4.06Å; L150-I154 WeakPolarHBondContact O-CG1 3.47Å; L150-I154 PolarHBondContact O-N 3.49Å; Q151-I154 PolarHBondContact O-N 2.83Å; I154-I156 VanDerWaalsContact C-N 3.33Å; I154-I156 PolarHBondContact O-N 3.43Å; I154-L157 CarbonylContact O-C 3.48Å; I154-L157 PolarHBondContact O-N 3.48Å; I154-L157 VanDerWaalsContact O-N 3.08Å; I154-E158 HydrophobicContact CG2-CG 4.18Å; I154-E158 WeakPolarHBondContact CG2-OE1 3.33Å; I154-E158 WeakPolarHBondContact O-CB 3.49Å; I154-E158 WeakPolarHBondContact O-CG 3.25Å; I154-E158 PolarHBondContact O-N 2.9Å |
| 155 | H | 96.8 | Very high | 92.2 | Very high | 115 Ų | 115 | 112.1 Ų | 112.1 | 53% | 0.532 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.7 | -38.2 | -179.8 | -171.8 | 60.7 | 0 | 0 | 0 | 113.3 | Q151 K152 E158 T159 | Q151-H155 WeakPolarHBondContact O-CB 3.5Å; Q151-H155 PolarHBondContact O-N 3.37Å; K152-H155 PolarHBondContact O-N 3.14Å; H155-E158 IonicContact ND1-OE2 3.17Å; H155-T159 VanDerWaalsContact O-CB 3.32Å; H155-T159 WeakPolarHBondContact O-CB 3.37Å; H155-T159 PolarHBondContact O-N 3.36Å; H155-T159 PolarHBondContact O-OG1 3.13Å |
| 156 | I | 96.5 | Very high | 93.3 | Very high | 112 Ų | 112 | 109.7 Ų | 109.7 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 174 | -70.1 | 163.6 | 0 | 0 | 0 | 110.5 | K152 Q153 I154 T159 R160 | K152-I156 WeakPolarHBondContact O-CD1 3.23Å; K152-I156 VanDerWaalsContact O-CG1 3.24Å; K152-I156 WeakPolarHBondContact O-CG1 3.38Å; K152-I156 PolarHBondContact O-N 3.4Å; Q153-I156 PolarHBondContact O-N 3.34Å; I154-I156 VanDerWaalsContact C-N 3.33Å; I154-I156 PolarHBondContact O-N 3.43Å; I156-T159 PolarHBondContact O-N 3.45Å; I156-R160 WeakPolarHBondContact O-CB 3.35Å; I156-R160 PolarHBondContact O-N 3.26Å |
| 157 | L | 96.9 | Very high | 94.2 | Very high | 102 Ų | 102 | 112.1 Ų | 112.1 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 178.3 | -70.5 | 172.1 | 0 | 0 | 0 | 111.7 | Q153 I154 R160 L161 | Q153-L157 HydrophobicContact CG-CD1 4.45Å; Q153-L157 VanDerWaalsContact O-CG 3.31Å; Q153-L157 WeakPolarHBondContact O-CG 3.45Å; Q153-L157 PolarHBondContact O-N 3.07Å; I154-L157 CarbonylContact O-C 3.48Å; I154-L157 PolarHBondContact O-N 3.48Å; I154-L157 VanDerWaalsContact O-N 3.08Å; L157-R160 PolarHBondContact O-N 2.99Å; L157-L161 WeakPolarHBondContact O-CB 3.24Å; L157-L161 PolarHBondContact O-N 3.15Å |
| 158 | E | 96.8 | Very high | 94.9 | Very high | 98 Ų | 98 | 113.5 Ų | 113.5 | 46% | 0.458 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.5 | -73.3 | 172.7 | 170.2 | 0 | 0 | 111.4 | I154 H155 R160 L161 N162 | I154-E158 HydrophobicContact CG2-CG 4.18Å; I154-E158 WeakPolarHBondContact CG2-OE1 3.33Å; I154-E158 WeakPolarHBondContact O-CB 3.49Å; I154-E158 WeakPolarHBondContact O-CG 3.25Å; I154-E158 PolarHBondContact O-N 2.9Å; H155-E158 IonicContact ND1-OE2 3.17Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.3Å; E158-L161 PolarHBondContact O-N 3.39Å; E158-N162 WeakPolarHBondContact O-CB 3.4Å; E158-N162 PolarHBondContact O-N 2.84Å; E158-N162 PolarHBondContact O-ND2 3.33Å |
| 159 | T | 97.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 107.7 Ų | 107.7 | 42% | 0.423 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.7 | -57 | 0 | 0 | 0 | 0 | 111 | H155 I156 N162 L163 | H155-T159 VanDerWaalsContact O-CB 3.32Å; H155-T159 WeakPolarHBondContact O-CB 3.37Å; H155-T159 PolarHBondContact O-N 3.36Å; H155-T159 PolarHBondContact O-OG1 3.13Å; I156-T159 PolarHBondContact O-N 3.45Å; T159-N162 PolarHBondContact O-N 3.13Å; T159-L163 WeakPolarHBondContact O-CB 3.49Å; T159-L163 PolarHBondContact O-N 2.87Å |
| 160 | R | 97.4 | Very high | 96.1 | Very high | 180 Ų | 180 | 107 Ų | 107 | 68% | 0.679 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 176.1 | -175.3 | 175.3 | 176.4 | 175.1 | -1.3 | 111.4 | I156 L157 E158 L163 V164 | I156-R160 WeakPolarHBondContact O-CB 3.35Å; I156-R160 PolarHBondContact O-N 3.26Å; L157-R160 PolarHBondContact O-N 2.99Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.3Å; R160-L163 PolarHBondContact O-N 3.02Å; R160-V164 WeakPolarHBondContact O-CG2 3.49Å; R160-V164 PolarHBondContact O-N 3.26Å |
| 161 | L | 97.9 | Very high | 96.6 | Very high | 110 Ų | 110 | 106.6 Ų | 106.6 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.6 | -50.1 | 175.4 | 179.4 | 62.9 | 0 | 0 | 0 | 110.4 | L157 E158 L163 V164 T165 | L157-L161 WeakPolarHBondContact O-CB 3.24Å; L157-L161 PolarHBondContact O-N 3.15Å; E158-L161 PolarHBondContact O-N 3.39Å; L161-L163 VanDerWaalsContact C-N 3.29Å; L161-L163 PolarHBondContact O-N 3.17Å; L161-V164 PolarHBondContact O-N 3.46Å; L161-V164 VanDerWaalsContact O-N 3.13Å; L161-T165 PolarHBondContact O-N 3.3Å; L161-T165 PolarHBondContact O-OG1 3.41Å |
| 162 | N | 97.3 | Very high | 96.9 | Very high | 99 Ų | 99 | 104.3 Ų | 104.3 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 177.7 | -70.8 | -21.4 | 0 | 0 | 0 | 111.9 | E158 T159 V164 T165 V166 | E158-N162 WeakPolarHBondContact O-CB 3.4Å; E158-N162 PolarHBondContact O-N 2.84Å; E158-N162 PolarHBondContact O-ND2 3.33Å; T159-N162 PolarHBondContact O-N 3.13Å; N162-V164 PolarHBondContact O-N 3.36Å; N162-T165 PolarHBondContact O-N 3.45Å; N162-V166 WeakPolarHBondContact O-CB 3.32Å; N162-V166 VanDerWaalsContact O-CG2 3.28Å; N162-V166 WeakPolarHBondContact O-CG2 3.31Å; N162-V166 PolarHBondContact O-N 2.87Å |
| 163 | L | 97.8 | Very high | 97.1 | Very high | 125 Ų | 125 | 101 Ų | 101 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 177.3 | -167.8 | 117 | 0 | 0 | 0 | 111.9 | T159 R160 L161 H167 | T159-L163 WeakPolarHBondContact O-CB 3.49Å; T159-L163 PolarHBondContact O-N 2.87Å; R160-L163 PolarHBondContact O-N 3.02Å; L161-L163 VanDerWaalsContact C-N 3.29Å; L161-L163 PolarHBondContact O-N 3.17Å; L163-H167 WeakPolarHBondContact O-CB 3.4Å; L163-H167 PolarHBondContact O-N 2.84Å |
| 164 | V | 97.6 | Very high | 97.4 | Very high | 84 Ų | 84 | 98.2 Ų | 98.2 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | R160 L161 N162 H167 F168 | R160-V164 WeakPolarHBondContact O-CG2 3.49Å; R160-V164 PolarHBondContact O-N 3.26Å; L161-V164 PolarHBondContact O-N 3.46Å; L161-V164 VanDerWaalsContact O-N 3.13Å; N162-V164 PolarHBondContact O-N 3.36Å; V164-H167 PolarHBondContact O-N 2.89Å; V164-F168 WeakPolarHBondContact O-CB 3.42Å; V164-F168 PolarHBondContact O-N 2.93Å |
| 165 | T | 97.4 | Very high | 97.6 | Very high | 62 Ų | 62 | 97.9 Ų | 97.9 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 176.3 | -55 | 0 | 0 | 0 | 0 | 111.1 | L161 N162 H167 F168 D169 | L161-T165 PolarHBondContact O-N 3.3Å; L161-T165 PolarHBondContact O-OG1 3.41Å; N162-T165 PolarHBondContact O-N 3.45Å; T165-H167 VanDerWaalsContact C-N 3.3Å; T165-H167 PolarHBondContact O-N 3.41Å; T165-F168 WeakPolarHBondContact O-CB 3.41Å; T165-F168 PolarHBondContact O-N 2.74Å; T165-F168 VanDerWaalsContact O-N 3.1Å; T165-D169 VanDerWaalsContact O-CG 3.3Å; T165-D169 PolarHBondContact O-N 2.74Å |
| 166 | V | 97.9 | Very high | 97.6 | Very high | 73 Ų | 73 | 94.7 Ų | 94.7 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 176.5 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | N162 D169 K170 | N162-V166 WeakPolarHBondContact O-CB 3.32Å; N162-V166 VanDerWaalsContact O-CG2 3.28Å; N162-V166 WeakPolarHBondContact O-CG2 3.31Å; N162-V166 PolarHBondContact O-N 2.87Å; V166-D169 PolarHBondContact O-N 2.93Å; V166-K170 HydrophobicContact CG1-CD 4.22Å; V166-K170 WeakPolarHBondContact O-CB 3.42Å; V166-K170 VanDerWaalsContact O-CG 3.26Å; V166-K170 WeakPolarHBondContact O-CG 3.09Å; V166-K170 PolarHBondContact O-N 3.26Å |
| 167 | H | 97.9 | Very high | 97.7 | Very high | 108 Ų | 108 | 96.4 Ų | 96.4 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 174.3 | 179.5 | -81.1 | 0 | 0 | 0 | 111.4 | L163 V164 T165 K170 M171 | L163-H167 WeakPolarHBondContact O-CB 3.4Å; L163-H167 PolarHBondContact O-N 2.84Å; V164-H167 PolarHBondContact O-N 2.89Å; T165-H167 VanDerWaalsContact C-N 3.3Å; T165-H167 PolarHBondContact O-N 3.41Å; H167-K170 WeakPolarHBondContact O-CB 3.47Å; H167-K170 PolarHBondContact O-N 3.15Å; H167-M171 WeakPolarHBondContact O-CG 3.45Å; H167-M171 PolarHBondContact O-N 3.4Å |
| 168 | F | 97.8 | Very high | 97.8 | Very high | 118 Ų | 118 | 96 Ų | 96 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.4 | 178.4 | -104.3 | 0 | 0 | 0 | 111.9 | V164 T165 K170 M171 L172 | V164-F168 WeakPolarHBondContact O-CB 3.42Å; V164-F168 PolarHBondContact O-N 2.93Å; T165-F168 WeakPolarHBondContact O-CB 3.41Å; T165-F168 PolarHBondContact O-N 2.74Å; T165-F168 VanDerWaalsContact O-N 3.1Å; F168-K170 VanDerWaalsContact C-N 3.33Å; F168-K170 PolarHBondContact O-N 3.35Å; F168-M171 CarbonylContact O-C 3.44Å; F168-M171 WeakPolarHBondContact O-CA 3.47Å; F168-M171 WeakPolarHBondContact O-CB 3.43Å; F168-M171 PolarHBondContact O-N 3.32Å; F168-M171 VanDerWaalsContact O-N 3.08Å; F168-L172 HydrophobicContact CD1-CD1 3.88Å; F168-L172 HydrophobicContact CD1-CG 4.29Å; F168-L172 HydrophobicContact CE1-CD1 3.32Å; F168-L172 HydrophobicContact CE1-CG 3.92Å; F168-L172 HydrophobicContact CE2-CD2 4.47Å; F168-L172 HydrophobicContact CE2-CG 4.4Å; F168-L172 HydrophobicContact CZ-CD1 3.74Å; F168-L172 HydrophobicContact CZ-CD2 4.1Å; F168-L172 HydrophobicContact CZ-CG 3.97Å; F168-L172 PolarHBondContact O-N 3.37Å |
| 169 | D | 97.8 | Very high | 97.9 | Very high | 77 Ų | 77 | 99.6 Ų | 99.6 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 176.7 | -65.4 | -26.2 | 0 | 0 | 0 | 112 | T165 V166 M171 L172 T173 | T165-D169 VanDerWaalsContact O-CG 3.3Å; T165-D169 PolarHBondContact O-N 2.74Å; V166-D169 PolarHBondContact O-N 2.93Å; D169-M171 VanDerWaalsContact C-N 3.35Å; D169-L172 PolarHBondContact O-N 3.45Å; D169-T173 WeakPolarHBondContact O-CG2 3.43Å; D169-T173 PolarHBondContact O-N 3.34Å; D169-T173 PolarHBondContact O-OG1 2.92Å |
| 170 | K | 97.9 | Very high | 97.9 | Very high | 127 Ų | 127 | 103.3 Ų | 103.3 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 170.9 | -75.6 | 172.9 | -178.8 | 179 | 0 | 111.7 | V166 H167 F168 T173 T174 | V166-K170 HydrophobicContact CG1-CD 4.22Å; V166-K170 WeakPolarHBondContact O-CB 3.42Å; V166-K170 VanDerWaalsContact O-CG 3.26Å; V166-K170 WeakPolarHBondContact O-CG 3.09Å; V166-K170 PolarHBondContact O-N 3.26Å; H167-K170 WeakPolarHBondContact O-CB 3.47Å; H167-K170 PolarHBondContact O-N 3.15Å; F168-K170 VanDerWaalsContact C-N 3.33Å; F168-K170 PolarHBondContact O-N 3.35Å; K170-T173 WeakPolarHBondContact CA-OG1 3.49Å; K170-T173 PolarHBondContact O-N 3.06Å; K170-T173 PolarHBondContact O-OG1 2.93Å; K170-T174 WeakPolarHBondContact O-CB 3.48Å; K170-T174 VanDerWaalsContact O-CG2 3.31Å; K170-T174 WeakPolarHBondContact O-CG2 3.38Å; K170-T174 PolarHBondContact O-N 3.49Å; K170-T174 PolarHBondContact O-OG1 3.26Å |
| 171 | M | 97.2 | Very high | 98 | Very high | 96 Ų | 96 | 100 Ų | 100 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 175 | -69 | -62.6 | 115 | 0 | 0 | 111.7 | H167 F168 D169 T174 N175 | H167-M171 WeakPolarHBondContact O-CG 3.45Å; H167-M171 PolarHBondContact O-N 3.4Å; F168-M171 CarbonylContact O-C 3.44Å; F168-M171 WeakPolarHBondContact O-CA 3.47Å; F168-M171 WeakPolarHBondContact O-CB 3.43Å; F168-M171 PolarHBondContact O-N 3.32Å; F168-M171 VanDerWaalsContact O-N 3.08Å; D169-M171 VanDerWaalsContact C-N 3.35Å; M171-T174 WeakPolarHBondContact CA-OG1 3.49Å; M171-T174 PolarHBondContact O-OG1 2.86Å; M171-N175 VanDerWaalsContact O-CB 3.24Å; M171-N175 WeakPolarHBondContact O-CB 3.43Å; M171-N175 PolarHBondContact O-N 3.18Å |
| 172 | L | 98.2 | Very high | 98 | Very high | 89 Ų | 89 | 99.2 Ų | 99.2 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.9 | -73.5 | -177.5 | 0 | 0 | 0 | 112.4 | F168 D169 N175 A176 | F168-L172 HydrophobicContact CD1-CD1 3.88Å; F168-L172 HydrophobicContact CD1-CG 4.29Å; F168-L172 HydrophobicContact CE1-CD1 3.32Å; F168-L172 HydrophobicContact CE1-CG 3.92Å; F168-L172 HydrophobicContact CE2-CD2 4.47Å; F168-L172 HydrophobicContact CE2-CG 4.4Å; F168-L172 HydrophobicContact CZ-CD1 3.74Å; F168-L172 HydrophobicContact CZ-CD2 4.1Å; F168-L172 HydrophobicContact CZ-CG 3.97Å; F168-L172 PolarHBondContact O-N 3.37Å; D169-L172 PolarHBondContact O-N 3.45Å; L172-N175 PolarHBondContact O-N 3.21Å; L172-A176 WeakPolarHBondContact O-CB 3.28Å; L172-A176 PolarHBondContact O-N 3.41Å |
| 173 | T | 98.1 | Very high | 98 | Very high | 79 Ų | 79 | 98.2 Ų | 98.2 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 178.8 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | D169 K170 A176 K177 | D169-T173 WeakPolarHBondContact O-CG2 3.43Å; D169-T173 PolarHBondContact O-N 3.34Å; D169-T173 PolarHBondContact O-OG1 2.92Å; K170-T173 WeakPolarHBondContact CA-OG1 3.49Å; K170-T173 PolarHBondContact O-N 3.06Å; K170-T173 PolarHBondContact O-OG1 2.93Å; T173-A176 PolarHBondContact O-N 2.95Å; T173-K177 WeakPolarHBondContact O-CG 3.37Å; T173-K177 PolarHBondContact O-N 3.4Å |
| 174 | T | 98.2 | Very high | 98 | Very high | 62 Ų | 62 | 96.8 Ų | 96.8 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 172.6 | 50.6 | 0 | 0 | 0 | 0 | 111.6 | K170 M171 A176 K177 L178 | K170-T174 WeakPolarHBondContact O-CB 3.48Å; K170-T174 VanDerWaalsContact O-CG2 3.31Å; K170-T174 WeakPolarHBondContact O-CG2 3.38Å; K170-T174 PolarHBondContact O-N 3.49Å; K170-T174 PolarHBondContact O-OG1 3.26Å; M171-T174 WeakPolarHBondContact CA-OG1 3.49Å; M171-T174 PolarHBondContact O-OG1 2.86Å; T174-A176 VanDerWaalsContact C-N 3.33Å; T174-A176 PolarHBondContact O-N 3.34Å; T174-K177 WeakPolarHBondContact O-CB 3.3Å; T174-K177 PolarHBondContact O-N 3.43Å; T174-L178 WeakPolarHBondContact O-CG 3.43Å; T174-L178 PolarHBondContact O-N 2.94Å |
| 175 | N | 98.2 | Very high | 98.1 | Very high | 70 Ų | 70 | 97.5 Ų | 97.5 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 174.5 | -162.4 | -66.9 | 0 | 0 | 0 | 111.8 | M171 L172 K177 L178 R179 | M171-N175 VanDerWaalsContact O-CB 3.24Å; M171-N175 WeakPolarHBondContact O-CB 3.43Å; M171-N175 PolarHBondContact O-N 3.18Å; L172-N175 PolarHBondContact O-N 3.21Å; N175-K177 VanDerWaalsContact C-N 3.34Å; N175-K177 PolarHBondContact O-N 3.04Å; N175-L178 PolarHBondContact O-N 2.77Å; N175-R179 WeakPolarHBondContact O-CG 3.48Å; N175-R179 PolarHBondContact O-N 2.94Å; N175-R179 PolarHBondContact OD1-NE 3.4Å; N175-R179 PolarHBondContact OD1-NH2 3.49Å |
| 176 | A | 98.4 | Very high | 98.1 | Very high | 48 Ų | 48 | 102 Ų | 102 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L172 T173 T174 R179 K180 | L172-A176 WeakPolarHBondContact O-CB 3.28Å; L172-A176 PolarHBondContact O-N 3.41Å; T173-A176 PolarHBondContact O-N 2.95Å; T174-A176 VanDerWaalsContact C-N 3.33Å; T174-A176 PolarHBondContact O-N 3.34Å; A176-R179 PolarHBondContact O-N 3Å; A176-K180 WeakPolarHBondContact O-CG 3.41Å; A176-K180 PolarHBondContact O-N 3.42Å; A176-K180 VanDerWaalsContact O-N 3.15Å |
| 177 | K | 98.2 | Very high | 98.1 | Very high | 148 Ų | 148 | 104.8 Ų | 104.8 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -47.9 | 173.5 | -71.6 | 174.7 | -177.8 | -176.7 | 0 | 111.6 | T173 T174 N175 R179 K180 E181 | T173-K177 WeakPolarHBondContact O-CG 3.37Å; T173-K177 PolarHBondContact O-N 3.4Å; T174-K177 WeakPolarHBondContact O-CB 3.3Å; T174-K177 PolarHBondContact O-N 3.43Å; N175-K177 VanDerWaalsContact C-N 3.34Å; N175-K177 PolarHBondContact O-N 3.04Å; K177-R179 VanDerWaalsContact C-N 3.29Å; K177-R179 PolarHBondContact O-N 3.33Å; K177-K180 WeakPolarHBondContact O-CB 3.48Å; K177-K180 PolarHBondContact O-N 3.45Å; K177-K180 VanDerWaalsContact O-N 3.1Å; K177-E181 PolarHBondContact O-N 3.28Å |
| 178 | L | 98.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 104.7 Ų | 104.7 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 177.1 | -69.6 | 172.3 | 0 | 0 | 0 | 111.9 | T174 N175 K180 E181 I182 | T174-L178 WeakPolarHBondContact O-CG 3.43Å; T174-L178 PolarHBondContact O-N 2.94Å; N175-L178 PolarHBondContact O-N 2.77Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 2.93Å; L178-E181 PolarHBondContact O-N 3.31Å; L178-I182 WeakPolarHBondContact O-CB 3.43Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.38Å; L178-I182 PolarHBondContact O-N 3.38Å |
| 179 | R | 98.4 | Very high | 98.1 | Very high | 172 Ų | 172 | 105.4 Ų | 105.4 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 174.4 | -74.9 | 178.4 | -170.4 | -177.3 | -0.3 | 112.5 | N175 A176 K177 E183 | N175-R179 WeakPolarHBondContact O-CG 3.48Å; N175-R179 PolarHBondContact O-N 2.94Å; N175-R179 PolarHBondContact OD1-NE 3.4Å; N175-R179 PolarHBondContact OD1-NH2 3.49Å; A176-R179 PolarHBondContact O-N 3Å; K177-R179 VanDerWaalsContact C-N 3.29Å; K177-R179 PolarHBondContact O-N 3.33Å; R179-E183 PolarHBondContact O-N 2.64Å; R179-E183 VanDerWaalsContact O-N 3.09Å |
| 180 | K | 98.3 | Very high | 98.1 | Very high | 147 Ų | 147 | 104.4 Ų | 104.4 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -47.5 | 174.6 | -72.8 | -177.9 | 177.6 | -172.3 | 0 | 111 | A176 K177 L178 I182 E183 D184 | A176-K180 WeakPolarHBondContact O-CG 3.41Å; A176-K180 PolarHBondContact O-N 3.42Å; A176-K180 VanDerWaalsContact O-N 3.15Å; K177-K180 WeakPolarHBondContact O-CB 3.48Å; K177-K180 PolarHBondContact O-N 3.45Å; K177-K180 VanDerWaalsContact O-N 3.1Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 2.93Å; K180-I182 VanDerWaalsContact C-N 3.31Å; K180-I182 PolarHBondContact O-N 3.37Å; K180-E183 CarbonylContact O-C 3.59Å; K180-E183 WeakPolarHBondContact O-CA 3.41Å; K180-E183 WeakPolarHBondContact O-CB 3.28Å; K180-E183 PolarHBondContact O-N 3.26Å; K180-D184 VanDerWaalsContact O-CG 3.26Å; K180-D184 PolarHBondContact O-N 3.07Å |
| 181 | E | 98.5 | Very high | 98.1 | Very high | 112 Ų | 112 | 101.1 Ų | 101.1 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 177.3 | -173.5 | 179 | 178.1 | 0 | 0 | 112.2 | K177 L178 E183 D184 L185 | K177-E181 PolarHBondContact O-N 3.28Å; L178-E181 PolarHBondContact O-N 3.31Å; E181-E183 VanDerWaalsContact C-N 3.3Å; E181-E183 PolarHBondContact O-N 2.92Å; E181-D184 PolarHBondContact O-N 2.98Å; E181-L185 HydrophobicContact CG-CD1 4.33Å; E181-L185 WeakPolarHBondContact O-CB 3.44Å; E181-L185 VanDerWaalsContact O-CG 3.26Å; E181-L185 WeakPolarHBondContact O-CG 3.29Å; E181-L185 PolarHBondContact O-N 2.87Å |
| 182 | I | 98.2 | Very high | 98.2 | Very high | 92 Ų | 92 | 104.4 Ų | 104.4 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 173.9 | -71.5 | 165.4 | 0 | 0 | 0 | 111.3 | L178 K180 R186 | L178-I182 WeakPolarHBondContact O-CB 3.43Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.38Å; L178-I182 PolarHBondContact O-N 3.38Å; K180-I182 VanDerWaalsContact C-N 3.31Å; K180-I182 PolarHBondContact O-N 3.37Å; I182-R186 WeakPolarHBondContact O-CB 3.34Å; I182-R186 VanDerWaalsContact O-CG 3.24Å; I182-R186 WeakPolarHBondContact O-CG 3.31Å; I182-R186 PolarHBondContact O-N 2.98Å |
| 183 | E | 98.4 | Very high | 98.1 | Very high | 78 Ų | 78 | 103.6 Ų | 103.6 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 179.4 | -164.6 | 62.2 | -160.6 | 0 | 0 | 111.6 | R179 K180 E181 L185 R186 F187 | R179-E183 PolarHBondContact O-N 2.64Å; R179-E183 VanDerWaalsContact O-N 3.09Å; K180-E183 CarbonylContact O-C 3.59Å; K180-E183 WeakPolarHBondContact O-CA 3.41Å; K180-E183 WeakPolarHBondContact O-CB 3.28Å; K180-E183 PolarHBondContact O-N 3.26Å; E181-E183 VanDerWaalsContact C-N 3.3Å; E181-E183 PolarHBondContact O-N 2.92Å; E183-L185 PolarHBondContact O-N 3.42Å; E183-R186 WeakPolarHBondContact O-CB 3.33Å; E183-R186 PolarHBondContact O-N 3.01Å; E183-R186 VanDerWaalsContact O-N 3.13Å; E183-R186 IonicContact OE2-NH1 3.05Å; E183-F187 HydrophobicContact CG-CD2 4.13Å; E183-F187 HydrophobicContact CG-CE2 3.61Å; E183-F187 HydrophobicContact CG-CZ 4.32Å; E183-F187 WeakPolarHBondContact O-CD2 3.33Å; E183-F187 PolarHBondContact O-N 3.48Å |
| 184 | D | 98 | Very high | 98.1 | Very high | 96 Ų | 96 | 103.8 Ų | 103.8 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 174.1 | -64.1 | -26.7 | 0 | 0 | 0 | 110.6 | K180 E181 R186 F187 E188 | K180-D184 VanDerWaalsContact O-CG 3.26Å; K180-D184 PolarHBondContact O-N 3.07Å; E181-D184 PolarHBondContact O-N 2.98Å; D184-R186 VanDerWaalsContact C-N 3.27Å; D184-R186 PolarHBondContact O-N 3.42Å; D184-F187 PolarHBondContact O-N 2.85Å; D184-F187 VanDerWaalsContact O-N 3.14Å; D184-E188 PolarHBondContact O-N 2.83Å |
| 185 | L | 98.2 | Very high | 98.1 | Very high | 98 Ų | 98 | 104.4 Ų | 104.4 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -33 | 175 | -71.9 | 172.5 | 0 | 0 | 0 | 112.7 | E181 E183 K189 | E181-L185 HydrophobicContact CG-CD1 4.33Å; E181-L185 WeakPolarHBondContact O-CB 3.44Å; E181-L185 VanDerWaalsContact O-CG 3.26Å; E181-L185 WeakPolarHBondContact O-CG 3.29Å; E181-L185 PolarHBondContact O-N 2.87Å; E183-L185 PolarHBondContact O-N 3.42Å; L185-K189 WeakPolarHBondContact O-CB 3.3Å; L185-K189 PolarHBondContact O-N 3.04Å |
| 186 | R | 98 | Very high | 98.1 | Very high | 156 Ų | 156 | 108.2 Ų | 108.2 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.2 | -41.7 | 174.1 | -80.6 | 170.3 | 155.5 | -165.8 | -6.5 | 111.8 | I182 E183 D184 K189 A190 | I182-R186 WeakPolarHBondContact O-CB 3.34Å; I182-R186 VanDerWaalsContact O-CG 3.24Å; I182-R186 WeakPolarHBondContact O-CG 3.31Å; I182-R186 PolarHBondContact O-N 2.98Å; E183-R186 WeakPolarHBondContact O-CB 3.33Å; E183-R186 PolarHBondContact O-N 3.01Å; E183-R186 VanDerWaalsContact O-N 3.13Å; E183-R186 IonicContact OE2-NH1 3.05Å; D184-R186 VanDerWaalsContact C-N 3.27Å; D184-R186 PolarHBondContact O-N 3.42Å; R186-K189 PolarHBondContact O-N 3.38Å; R186-A190 WeakPolarHBondContact O-CB 3.3Å; R186-A190 PolarHBondContact O-N 3.42Å |
| 187 | F | 98.1 | Very high | 98.1 | Very high | 132 Ų | 132 | 110.3 Ų | 110.3 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 174.7 | -74.8 | -57.6 | 0 | 0 | 0 | 111.6 | E183 D184 K189 A190 A191 | E183-F187 HydrophobicContact CG-CD2 4.13Å; E183-F187 HydrophobicContact CG-CE2 3.61Å; E183-F187 HydrophobicContact CG-CZ 4.32Å; E183-F187 WeakPolarHBondContact O-CD2 3.33Å; E183-F187 PolarHBondContact O-N 3.48Å; D184-F187 PolarHBondContact O-N 2.85Å; D184-F187 VanDerWaalsContact O-N 3.14Å; F187-K189 PolarHBondContact O-N 3.08Å; F187-A190 PolarHBondContact O-N 3.1Å; F187-A191 PolarHBondContact O-N 3.34Å |
| 188 | E | 97.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 107.8 Ų | 107.8 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 174.8 | -73 | -174 | 174.7 | 0 | 0 | 111.2 | D184 A190 A191 Y192 | D184-E188 PolarHBondContact O-N 2.83Å; E188-A190 VanDerWaalsContact C-N 3.32Å; E188-A190 PolarHBondContact O-N 2.85Å; E188-A191 WeakPolarHBondContact O-CB 3.31Å; E188-A191 PolarHBondContact O-N 3.27Å; E188-A191 VanDerWaalsContact O-N 3.12Å; E188-Y192 HydrophobicContact CB-CD2 4.46Å; E188-Y192 HydrophobicContact CB-CE2 4.3Å; E188-Y192 WeakPolarHBondContact O-CD2 3.2Å; E188-Y192 PolarHBondContact O-N 3.49Å |
| 189 | K | 98.2 | Very high | 98.1 | Very high | 132 Ų | 132 | 108.6 Ų | 108.6 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.6 | -45.8 | 176 | -175.7 | -173.4 | 173 | -174.9 | 0 | 111.7 | L185 R186 F187 A191 Y192 D193 | L185-K189 WeakPolarHBondContact O-CB 3.3Å; L185-K189 PolarHBondContact O-N 3.04Å; R186-K189 PolarHBondContact O-N 3.38Å; F187-K189 PolarHBondContact O-N 3.08Å; K189-A191 VanDerWaalsContact C-N 3.29Å; K189-A191 PolarHBondContact O-N 3.06Å; K189-Y192 PolarHBondContact O-N 2.95Å; K189-D193 WeakPolarHBondContact O-CB 3.33Å; K189-D193 PolarHBondContact O-N 2.92Å |
| 190 | A | 98.1 | Very high | 98 | Very high | 56 Ų | 56 | 105 Ų | 105 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R186 F187 E188 N194 | R186-A190 WeakPolarHBondContact O-CB 3.3Å; R186-A190 PolarHBondContact O-N 3.42Å; F187-A190 PolarHBondContact O-N 3.1Å; E188-A190 VanDerWaalsContact C-N 3.32Å; E188-A190 PolarHBondContact O-N 2.85Å; A190-N194 WeakPolarHBondContact O-CB 3.3Å; A190-N194 PolarHBondContact O-N 3.36Å; A190-N194 VanDerWaalsContact O-N 3.08Å |
| 191 | A | 98 | Very high | 98 | Very high | 58 Ų | 58 | 105 Ų | 105 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F187 E188 K189 N194 V195 | F187-A191 PolarHBondContact O-N 3.34Å; E188-A191 WeakPolarHBondContact O-CB 3.31Å; E188-A191 PolarHBondContact O-N 3.27Å; E188-A191 VanDerWaalsContact O-N 3.12Å; K189-A191 VanDerWaalsContact C-N 3.29Å; K189-A191 PolarHBondContact O-N 3.06Å; A191-N194 PolarHBondContact O-N 3.2Å; A191-V195 WeakPolarHBondContact O-CG2 3.43Å; A191-V195 PolarHBondContact O-N 2.76Å |
| 192 | Y | 98.1 | Very high | 97.9 | Very high | 165 Ų | 165 | 103.7 Ų | 103.7 | 65% | 0.647 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.9 | -44.7 | 175.4 | -76.4 | -64.1 | 0 | 0 | 0 | 112.4 | E188 K189 N194 V195 Y196 | E188-Y192 HydrophobicContact CB-CD2 4.46Å; E188-Y192 HydrophobicContact CB-CE2 4.3Å; E188-Y192 WeakPolarHBondContact O-CD2 3.2Å; E188-Y192 PolarHBondContact O-N 3.49Å; K189-Y192 PolarHBondContact O-N 2.95Å; Y192-N194 VanDerWaalsContact C-N 3.28Å; Y192-N194 PolarHBondContact O-N 3.41Å; Y192-V195 PolarHBondContact O-N 3.3Å; Y192-Y196 WeakPolarHBondContact O-CB 3.48Å; Y192-Y196 PolarHBondContact O-N 3.38Å |
| 193 | D | 97.8 | Very high | 97.9 | Very high | 73 Ų | 73 | 103.3 Ų | 103.3 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 178.2 | -75.2 | -21.8 | 0 | 0 | 0 | 111 | K189 Y196 Q197 | K189-D193 WeakPolarHBondContact O-CB 3.33Å; K189-D193 PolarHBondContact O-N 2.92Å; D193-Y196 PolarHBondContact O-N 2.87Å; D193-Q197 WeakPolarHBondContact O-CB 3.37Å; D193-Q197 VanDerWaalsContact O-CG 3.29Å; D193-Q197 WeakPolarHBondContact O-CG 3.34Å; D193-Q197 PolarHBondContact O-N 2.7Å |
| 194 | N | 98.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 103.7 Ų | 103.7 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 175.5 | -171 | -7.9 | 0 | 0 | 0 | 111.7 | A190 A191 Y192 Y196 Q197 Q198 | A190-N194 WeakPolarHBondContact O-CB 3.3Å; A190-N194 PolarHBondContact O-N 3.36Å; A190-N194 VanDerWaalsContact O-N 3.08Å; A191-N194 PolarHBondContact O-N 3.2Å; Y192-N194 VanDerWaalsContact C-N 3.28Å; Y192-N194 PolarHBondContact O-N 3.41Å; N194-Y196 VanDerWaalsContact C-N 3.3Å; N194-Y196 PolarHBondContact O-N 3.48Å; N194-Q197 PolarHBondContact O-N 2.85Å; N194-Q198 WeakPolarHBondContact O-CG 3.27Å; N194-Q198 PolarHBondContact O-N 3.23Å; N194-Q198 PolarHBondContact OD1-NE2 3.36Å |
| 195 | V | 97.9 | Very high | 97.9 | Very high | 76 Ų | 76 | 104 Ų | 104 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 111 | A191 Y192 Q197 Q198 L199 | A191-V195 WeakPolarHBondContact O-CG2 3.43Å; A191-V195 PolarHBondContact O-N 2.76Å; Y192-V195 PolarHBondContact O-N 3.3Å; V195-Q197 PolarHBondContact O-N 2.82Å; V195-Q198 PolarHBondContact O-N 3.05Å; V195-L199 HydrophobicContact CG1-CD1 4.01Å; V195-L199 HydrophobicContact CG1-CG 4.43Å; V195-L199 WeakPolarHBondContact O-CG 3.39Å; V195-L199 PolarHBondContact O-N 3.03Å |
| 196 | Y | 97.9 | Very high | 97.8 | Very high | 149 Ų | 149 | 106 Ų | 106 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.7 | -46.5 | 176.2 | -179.4 | -94.8 | 0 | 0 | 0 | 111.8 | Y192 D193 N194 Q198 L199 Q200 | Y192-Y196 WeakPolarHBondContact O-CB 3.48Å; Y192-Y196 PolarHBondContact O-N 3.38Å; D193-Y196 PolarHBondContact O-N 2.87Å; N194-Y196 VanDerWaalsContact C-N 3.3Å; N194-Y196 PolarHBondContact O-N 3.48Å; Y196-Q198 VanDerWaalsContact C-N 3.32Å; Y196-Q198 PolarHBondContact O-N 3.48Å; Y196-L199 PolarHBondContact O-N 2.94Å; Y196-Q200 WeakPolarHBondContact O-CB 3.34Å; Y196-Q200 PolarHBondContact O-N 2.67Å |
| 197 | Q | 98.2 | Very high | 97.8 | Very high | 92 Ų | 92 | 104.1 Ų | 104.1 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 175.9 | -74.4 | 179.8 | 17 | 0 | 0 | 112.3 | D193 N194 V195 Q200 R201 | D193-Q197 WeakPolarHBondContact O-CB 3.37Å; D193-Q197 VanDerWaalsContact O-CG 3.29Å; D193-Q197 WeakPolarHBondContact O-CG 3.34Å; D193-Q197 PolarHBondContact O-N 2.7Å; N194-Q197 PolarHBondContact O-N 2.85Å; V195-Q197 PolarHBondContact O-N 2.82Å; Q197-Q200 PolarHBondContact O-N 2.83Å; Q197-R201 VanDerWaalsContact O-CG 3.3Å; Q197-R201 WeakPolarHBondContact O-CG 3.47Å; Q197-R201 PolarHBondContact O-N 3.41Å |
| 198 | Q | 97.8 | Very high | 97.8 | Very high | 96 Ų | 96 | 103.9 Ų | 103.9 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 175.7 | -69.7 | 175.9 | 19.1 | 0 | 0 | 111.4 | N194 V195 Y196 Q200 R201 C202 | N194-Q198 WeakPolarHBondContact O-CG 3.27Å; N194-Q198 PolarHBondContact O-N 3.23Å; N194-Q198 PolarHBondContact OD1-NE2 3.36Å; V195-Q198 PolarHBondContact O-N 3.05Å; Y196-Q198 VanDerWaalsContact C-N 3.32Å; Y196-Q198 PolarHBondContact O-N 3.48Å; Q198-Q200 VanDerWaalsContact C-N 3.31Å; Q198-Q200 PolarHBondContact O-N 3.23Å; Q198-R201 WeakPolarHBondContact O-CB 3.31Å; Q198-R201 PolarHBondContact O-N 3.31Å; Q198-C202 PolarHBondContact O-N 2.69Å; Q198-C202 PolarHBondContact O-SG 2.8Å; Q198-C202 VanDerWaalsContact O-SG 3.37Å |
| 199 | L | 97.6 | Very high | 97.8 | Very high | 112 Ų | 112 | 102.9 Ų | 102.9 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -42.1 | 176.1 | -73.6 | 169.6 | 0 | 0 | 0 | 111.7 | V195 Y196 R201 C202 L203 | V195-L199 HydrophobicContact CG1-CD1 4.01Å; V195-L199 HydrophobicContact CG1-CG 4.43Å; V195-L199 WeakPolarHBondContact O-CG 3.39Å; V195-L199 PolarHBondContact O-N 3.03Å; Y196-L199 PolarHBondContact O-N 2.94Å; L199-R201 VanDerWaalsContact C-N 3.34Å; L199-R201 PolarHBondContact O-N 2.65Å; L199-C202 PolarHBondContact O-N 3.2Å; L199-L203 WeakPolarHBondContact O-CB 3.24Å; L199-L203 PolarHBondContact O-N 3.38Å |
| 200 | Q | 97.7 | Very high | 97.7 | Very high | 97 Ų | 97 | 101.5 Ų | 101.5 | 45% | 0.453 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.6 | -170 | 176.4 | 11.3 | 0 | 0 | 111.7 | Y196 Q197 Q198 L203 L204 | Y196-Q200 WeakPolarHBondContact O-CB 3.34Å; Y196-Q200 PolarHBondContact O-N 2.67Å; Q197-Q200 PolarHBondContact O-N 2.83Å; Q198-Q200 VanDerWaalsContact C-N 3.31Å; Q198-Q200 PolarHBondContact O-N 3.23Å; Q200-L203 PolarHBondContact O-N 2.86Å; Q200-L204 WeakPolarHBondContact O-CB 3.39Å; Q200-L204 VanDerWaalsContact O-CG 3.3Å; Q200-L204 WeakPolarHBondContact O-CG 3.26Å; Q200-L204 PolarHBondContact O-N 3.07Å |
| 201 | R | 97.9 | Very high | 97.7 | Very high | 146 Ų | 146 | 103.2 Ų | 103.2 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 174.1 | -70.8 | 173.5 | -161.2 | 160.3 | 8.7 | 111.6 | Q197 Q198 L199 L203 L204 M205 | Q197-R201 VanDerWaalsContact O-CG 3.3Å; Q197-R201 WeakPolarHBondContact O-CG 3.47Å; Q197-R201 PolarHBondContact O-N 3.41Å; Q198-R201 WeakPolarHBondContact O-CB 3.31Å; Q198-R201 PolarHBondContact O-N 3.31Å; L199-R201 VanDerWaalsContact C-N 3.34Å; L199-R201 PolarHBondContact O-N 2.65Å; R201-L203 VanDerWaalsContact C-N 3.34Å; R201-L203 PolarHBondContact O-N 3.15Å; R201-L204 PolarHBondContact O-N 3.08Å; R201-M205 WeakPolarHBondContact O-CG 3.47Å; R201-M205 PolarHBondContact O-N 3.18Å |
| 202 | C | 97.3 | Very high | 97.7 | Very high | 84 Ų | 84 | 105.1 Ų | 105.1 | 57% | 0.568 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -44.8 | 176.7 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | Q198 L199 L204 M205 Q206 | Q198-C202 PolarHBondContact O-N 2.69Å; Q198-C202 PolarHBondContact O-SG 2.8Å; Q198-C202 VanDerWaalsContact O-SG 3.37Å; L199-C202 PolarHBondContact O-N 3.2Å; C202-L204 PolarHBondContact O-N 3.04Å; C202-M205 PolarHBondContact O-N 3.36Å; C202-Q206 WeakPolarHBondContact O-CB 3.33Å; C202-Q206 PolarHBondContact O-N 3.32Å |
| 203 | L | 97.6 | Very high | 97.7 | Very high | 85 Ų | 85 | 99.5 Ų | 99.5 | 45% | 0.445 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177 | -177.2 | 150.8 | 0 | 0 | 0 | 111.8 | L199 Q200 R201 Q206 K207 | L199-L203 WeakPolarHBondContact O-CB 3.24Å; L199-L203 PolarHBondContact O-N 3.38Å; Q200-L203 PolarHBondContact O-N 2.86Å; R201-L203 VanDerWaalsContact C-N 3.34Å; R201-L203 PolarHBondContact O-N 3.15Å; L203-Q206 PolarHBondContact O-N 3.24Å; L203-K207 HydrophobicContact CD2-CD 3.82Å; L203-K207 HydrophobicContact CD2-CG 4.37Å; L203-K207 WeakPolarHBondContact O-CG 3.39Å; L203-K207 PolarHBondContact O-N 2.88Å |
| 204 | L | 97.7 | Very high | 97.6 | Very high | 86 Ų | 86 | 100.9 Ų | 100.9 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 175 | -73.9 | 172.3 | 0 | 0 | 0 | 112 | Q200 R201 C202 K207 K208 | Q200-L204 WeakPolarHBondContact O-CB 3.39Å; Q200-L204 VanDerWaalsContact O-CG 3.3Å; Q200-L204 WeakPolarHBondContact O-CG 3.26Å; Q200-L204 PolarHBondContact O-N 3.07Å; R201-L204 PolarHBondContact O-N 3.08Å; C202-L204 PolarHBondContact O-N 3.04Å; L204-K207 PolarHBondContact O-N 3.08Å; L204-K208 WeakPolarHBondContact O-CG 3.39Å; L204-K208 PolarHBondContact O-N 3.34Å |
| 205 | M | 97.5 | Very high | 97.6 | Very high | 102 Ų | 102 | 103.2 Ų | 103.2 | 50% | 0.502 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.9 | -72 | -58.6 | 109 | 0 | 0 | 111.5 | R201 C202 K207 K208 T209 | R201-M205 WeakPolarHBondContact O-CG 3.47Å; R201-M205 PolarHBondContact O-N 3.18Å; C202-M205 PolarHBondContact O-N 3.36Å; M205-K207 PolarHBondContact O-N 3.28Å; M205-K208 HydrophobicContact CE-CD 3.89Å; M205-K208 WeakPolarHBondContact O-CB 3.36Å; M205-K208 PolarHBondContact O-N 3.13Å; M205-K208 VanDerWaalsContact O-N 3.15Å; M205-T209 PolarHBondContact O-N 3.5Å; M205-T209 PolarHBondContact O-OG1 3.02Å |
| 206 | Q | 97.3 | Very high | 97.6 | Very high | 140 Ų | 140 | 105.8 Ų | 105.8 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -39.3 | 177.9 | -171.2 | 178.5 | 8.9 | 0 | 0 | 112.4 | C202 L203 K208 T209 M210 | C202-Q206 WeakPolarHBondContact O-CB 3.33Å; C202-Q206 PolarHBondContact O-N 3.32Å; L203-Q206 PolarHBondContact O-N 3.24Å; Q206-K208 VanDerWaalsContact C-N 3.32Å; Q206-K208 PolarHBondContact O-N 3.22Å; Q206-T209 WeakPolarHBondContact CA-OG1 3.45Å; Q206-T209 PolarHBondContact O-N 2.86Å; Q206-T209 PolarHBondContact O-OG1 2.8Å; Q206-M210 VanDerWaalsContact O-CB 3.3Å; Q206-M210 WeakPolarHBondContact O-CB 3.34Å; Q206-M210 PolarHBondContact O-N 3.06Å |
| 207 | K | 97.7 | Very high | 97.5 | Very high | 116 Ų | 116 | 102.5 Ų | 102.5 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 173.2 | -77 | -177.4 | 175.9 | 179.7 | 0 | 111.9 | L203 L204 M205 N211 | L203-K207 HydrophobicContact CD2-CD 3.82Å; L203-K207 HydrophobicContact CD2-CG 4.37Å; L203-K207 WeakPolarHBondContact O-CG 3.39Å; L203-K207 PolarHBondContact O-N 2.88Å; L204-K207 PolarHBondContact O-N 3.08Å; M205-K207 PolarHBondContact O-N 3.28Å; K207-N211 WeakPolarHBondContact O-CB 3.39Å; K207-N211 PolarHBondContact O-N 2.91Å |
| 208 | K | 97.8 | Very high | 97.5 | Very high | 127 Ų | 127 | 100.9 Ų | 100.9 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 175.7 | -72.7 | -179.8 | -178.4 | -171.9 | 0 | 111.6 | L204 M205 Q206 M210 N211 L212 | L204-K208 WeakPolarHBondContact O-CG 3.39Å; L204-K208 PolarHBondContact O-N 3.34Å; M205-K208 HydrophobicContact CE-CD 3.89Å; M205-K208 WeakPolarHBondContact O-CB 3.36Å; M205-K208 PolarHBondContact O-N 3.13Å; M205-K208 VanDerWaalsContact O-N 3.15Å; Q206-K208 VanDerWaalsContact C-N 3.32Å; Q206-K208 PolarHBondContact O-N 3.22Å; K208-M210 PolarHBondContact O-N 3.2Å; K208-N211 PolarHBondContact O-N 3.34Å; K208-L212 WeakPolarHBondContact O-CG 3.45Å; K208-L212 PolarHBondContact O-N 2.88Å |
| 209 | T | 96.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 101.4 Ų | 101.4 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 178.5 | 57 | 0 | 0 | 0 | 0 | 111.9 | M205 Q206 L212 A213 | M205-T209 PolarHBondContact O-N 3.5Å; M205-T209 PolarHBondContact O-OG1 3.02Å; Q206-T209 WeakPolarHBondContact CA-OG1 3.45Å; Q206-T209 PolarHBondContact O-N 2.86Å; Q206-T209 PolarHBondContact O-OG1 2.8Å; T209-L212 PolarHBondContact O-N 3.32Å; T209-A213 PolarHBondContact O-N 2.85Å |
| 210 | M | 97.3 | Very high | 97.4 | Very high | 103 Ų | 103 | 98.6 Ų | 98.6 | 51% | 0.507 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 173.4 | -177.6 | -176.2 | 74.3 | 0 | 0 | 111.7 | Q206 K208 L212 A213 I214 | Q206-M210 VanDerWaalsContact O-CB 3.3Å; Q206-M210 WeakPolarHBondContact O-CB 3.34Å; Q206-M210 PolarHBondContact O-N 3.06Å; K208-M210 PolarHBondContact O-N 3.2Å; M210-L212 VanDerWaalsContact C-N 3.35Å; M210-L212 PolarHBondContact O-N 3.45Å; M210-A213 PolarHBondContact O-N 3.42Å; M210-I214 HydrophobicContact CG-CD1 4.08Å; M210-I214 WeakPolarHBondContact O-CG1 3.25Å; M210-I214 PolarHBondContact O-N 2.9Å |
| 211 | N | 97.8 | Very high | 97.4 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.9 | -72.3 | -9.4 | 0 | 0 | 0 | 112 | K207 K208 A213 I214 E215 | K207-N211 WeakPolarHBondContact O-CB 3.39Å; K207-N211 PolarHBondContact O-N 2.91Å; K208-N211 PolarHBondContact O-N 3.34Å; N211-A213 VanDerWaalsContact C-N 3.34Å; N211-A213 PolarHBondContact O-N 2.81Å; N211-I214 PolarHBondContact O-N 2.91Å; N211-E215 WeakPolarHBondContact O-CB 3.43Å; N211-E215 PolarHBondContact O-N 2.95Å |
| 212 | L | 98 | Very high | 97.4 | Very high | 97 Ų | 97 | 100.1 Ų | 100.1 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.8 | -73.4 | 170.2 | 0 | 0 | 0 | 111.9 | K208 T209 M210 I214 E215 Q216 | K208-L212 WeakPolarHBondContact O-CG 3.45Å; K208-L212 PolarHBondContact O-N 2.88Å; T209-L212 PolarHBondContact O-N 3.32Å; M210-L212 VanDerWaalsContact C-N 3.35Å; M210-L212 PolarHBondContact O-N 3.45Å; L212-I214 VanDerWaalsContact C-N 3.34Å; L212-I214 PolarHBondContact O-N 3.3Å; L212-E215 PolarHBondContact O-N 3.5Å; L212-Q216 WeakPolarHBondContact O-CB 3.25Å; L212-Q216 VanDerWaalsContact O-CG 3.31Å; L212-Q216 WeakPolarHBondContact O-CG 3.23Å; L212-Q216 PolarHBondContact O-N 2.96Å |
| 213 | A | 97.4 | Very high | 97.4 | Very high | 47 Ų | 47 | 101.4 Ų | 101.4 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T209 M210 N211 S217 | T209-A213 PolarHBondContact O-N 2.85Å; M210-A213 PolarHBondContact O-N 3.42Å; N211-A213 VanDerWaalsContact C-N 3.34Å; N211-A213 PolarHBondContact O-N 2.81Å; A213-S217 VanDerWaalsContact O-CB 3.3Å; A213-S217 WeakPolarHBondContact O-CB 3.24Å; A213-S217 PolarHBondContact O-N 3.42Å; A213-S217 PolarHBondContact O-OG 3.35Å |
| 214 | I | 96.9 | Very high | 97.4 | Very high | 102 Ų | 102 | 105.1 Ų | 105.1 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.4 | -68.4 | 166.3 | 0 | 0 | 0 | 110.4 | M210 N211 L212 S217 S218 | M210-I214 HydrophobicContact CG-CD1 4.08Å; M210-I214 WeakPolarHBondContact O-CG1 3.25Å; M210-I214 PolarHBondContact O-N 2.9Å; N211-I214 PolarHBondContact O-N 2.91Å; L212-I214 VanDerWaalsContact C-N 3.34Å; L212-I214 PolarHBondContact O-N 3.3Å; I214-S217 PolarHBondContact O-N 2.93Å; I214-S218 WeakPolarHBondContact O-CB 3.36Å; I214-S218 PolarHBondContact O-N 2.85Å |
| 215 | E | 97.5 | Very high | 97.4 | Very high | 131 Ų | 131 | 104.3 Ų | 104.3 | 61% | 0.612 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 178.7 | -172.6 | 175.1 | -170.9 | 0 | 0 | 111.5 | N211 L212 S217 S218 Q219 | N211-E215 WeakPolarHBondContact O-CB 3.43Å; N211-E215 PolarHBondContact O-N 2.95Å; L212-E215 PolarHBondContact O-N 3.5Å; E215-S217 VanDerWaalsContact C-N 3.31Å; E215-S217 PolarHBondContact O-N 2.99Å; E215-S218 WeakPolarHBondContact O-CB 3.46Å; E215-S218 PolarHBondContact O-N 3.31Å; E215-Q219 WeakPolarHBondContact O-CB 3.49Å; E215-Q219 PolarHBondContact O-N 2.99Å |
| 216 | Q | 97.3 | Very high | 97.4 | Very high | 130 Ų | 130 | 104.3 Ų | 104.3 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -40.9 | 174.2 | -73.4 | 177.3 | -8.2 | 0 | 0 | 112.2 | L212 Q219 A220 | L212-Q216 WeakPolarHBondContact O-CB 3.25Å; L212-Q216 VanDerWaalsContact O-CG 3.31Å; L212-Q216 WeakPolarHBondContact O-CG 3.23Å; L212-Q216 PolarHBondContact O-N 2.96Å; Q216-Q219 PolarHBondContact O-N 2.87Å; Q216-A220 WeakPolarHBondContact O-CB 3.47Å; Q216-A220 PolarHBondContact O-N 2.68Å |
| 217 | S | 96.8 | Very high | 97.3 | Very high | 80 Ų | 80 | 99.5 Ų | 99.5 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -41 | 177.3 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | A213 I214 E215 A220 Y221 | A213-S217 VanDerWaalsContact O-CB 3.3Å; A213-S217 WeakPolarHBondContact O-CB 3.24Å; A213-S217 PolarHBondContact O-N 3.42Å; A213-S217 PolarHBondContact O-OG 3.35Å; I214-S217 PolarHBondContact O-N 2.93Å; E215-S217 VanDerWaalsContact C-N 3.31Å; E215-S217 PolarHBondContact O-N 2.99Å; S217-A220 PolarHBondContact O-N 3.11Å; S217-Y221 WeakPolarHBondContact O-CB 3.43Å; S217-Y221 PolarHBondContact O-N 3.4Å |
| 218 | S | 97.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 98.6 Ų | 98.6 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.6 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | I214 E215 A220 Y221 E222 | I214-S218 WeakPolarHBondContact O-CB 3.36Å; I214-S218 PolarHBondContact O-N 2.85Å; E215-S218 WeakPolarHBondContact O-CB 3.46Å; E215-S218 PolarHBondContact O-N 3.31Å; S218-A220 PolarHBondContact O-N 2.95Å; S218-Y221 WeakPolarHBondContact O-CB 3.48Å; S218-Y221 PolarHBondContact O-N 3.46Å; S218-E222 WeakPolarHBondContact O-CG 3.48Å; S218-E222 PolarHBondContact O-N 3.47Å |
| 219 | Q | 97.8 | Very high | 97.2 | Very high | 107 Ų | 107 | 95.3 Ų | 95.3 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 177.9 | -171 | -177.4 | 19.8 | 0 | 0 | 111.9 | E215 Q216 Y221 E222 Q223 | E215-Q219 WeakPolarHBondContact O-CB 3.49Å; E215-Q219 PolarHBondContact O-N 2.99Å; Q216-Q219 PolarHBondContact O-N 2.87Å; Q219-Y221 VanDerWaalsContact C-N 3.28Å; Q219-Y221 PolarHBondContact O-N 3.06Å; Q219-E222 PolarHBondContact O-N 2.81Å; Q219-Q223 VanDerWaalsContact O-CG 3.32Å; Q219-Q223 WeakPolarHBondContact O-CG 3.49Å; Q219-Q223 PolarHBondContact O-N 3.43Å |
| 220 | A | 97.1 | Very high | 97.2 | Very high | 54 Ų | 54 | 97.9 Ų | 97.9 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q216 S217 S218 R224 | Q216-A220 WeakPolarHBondContact O-CB 3.47Å; Q216-A220 PolarHBondContact O-N 2.68Å; S217-A220 PolarHBondContact O-N 3.11Å; S218-A220 PolarHBondContact O-N 2.95Å; A220-R224 WeakPolarHBondContact O-CB 3.44Å; A220-R224 PolarHBondContact O-N 2.87Å |
| 221 | Y | 97.3 | Very high | 97.1 | Very high | 150 Ų | 150 | 98.2 Ų | 98.2 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.9 | -46.9 | 174.8 | -176.3 | -94.8 | 0 | 0 | 0 | 111.9 | S217 S218 Q219 Q223 R224 V225 | S217-Y221 WeakPolarHBondContact O-CB 3.43Å; S217-Y221 PolarHBondContact O-N 3.4Å; S218-Y221 WeakPolarHBondContact O-CB 3.48Å; S218-Y221 PolarHBondContact O-N 3.46Å; Q219-Y221 VanDerWaalsContact C-N 3.28Å; Q219-Y221 PolarHBondContact O-N 3.06Å; Y221-Q223 PolarHBondContact O-N 3.33Å; Y221-R224 WeakPolarHBondContact O-CB 3.37Å; Y221-R224 PolarHBondContact O-N 3.08Å; Y221-V225 HydrophobicContact CD1-CG2 4.05Å; Y221-V225 HydrophobicContact CE1-CG2 3.66Å; Y221-V225 WeakPolarHBondContact O-CG2 3.45Å; Y221-V225 PolarHBondContact O-N 3.18Å |
| 222 | E | 97.4 | Very high | 97.1 | Very high | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.3 | -46.5 | 175.6 | -73.6 | 173.7 | -166.3 | 0 | 0 | 111.7 | S218 Q219 R224 V225 E226 | S218-E222 WeakPolarHBondContact O-CG 3.48Å; S218-E222 PolarHBondContact O-N 3.47Å; Q219-E222 PolarHBondContact O-N 2.81Å; E222-R224 VanDerWaalsContact C-N 3.33Å; E222-R224 PolarHBondContact O-N 3.23Å; E222-V225 PolarHBondContact O-N 2.89Å; E222-E226 WeakPolarHBondContact O-CB 2.68Å; E222-E226 PolarHBondContact O-N 2.99Å |
| 223 | Q | 97.3 | Very high | 97 | Very high | 111 Ų | 111 | 94.4 Ų | 94.4 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 175.9 | -73 | 176.2 | 2.5 | 0 | 0 | 112.1 | Q219 Y221 E226 A227 | Q219-Q223 VanDerWaalsContact O-CG 3.32Å; Q219-Q223 WeakPolarHBondContact O-CG 3.49Å; Q219-Q223 PolarHBondContact O-N 3.43Å; Y221-Q223 PolarHBondContact O-N 3.33Å; Q223-E226 PolarHBondContact O-N 3.12Å; Q223-A227 WeakPolarHBondContact O-CB 3.43Å; Q223-A227 PolarHBondContact O-N 3.09Å |
| 224 | R | 97.7 | Very high | 96.9 | Very high | 163 Ų | 163 | 98.2 Ų | 98.2 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -44.6 | 175.7 | 176.9 | -175.7 | 171.1 | -175 | -2.2 | 111.5 | A220 Y221 E222 E226 A227 M228 | A220-R224 WeakPolarHBondContact O-CB 3.44Å; A220-R224 PolarHBondContact O-N 2.87Å; Y221-R224 WeakPolarHBondContact O-CB 3.37Å; Y221-R224 PolarHBondContact O-N 3.08Å; E222-R224 VanDerWaalsContact C-N 3.33Å; E222-R224 PolarHBondContact O-N 3.23Å; R224-E226 VanDerWaalsContact C-N 3.34Å; R224-A227 PolarHBondContact O-N 3.43Å; R224-M228 WeakPolarHBondContact O-CB 3.35Å; R224-M228 PolarHBondContact O-N 3Å |
| 225 | V | 97.8 | Very high | 96.9 | Very high | 69 Ų | 69 | 99.6 Ų | 99.6 | 42% | 0.418 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 178.5 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | Y221 E222 M228 A229 | Y221-V225 HydrophobicContact CD1-CG2 4.05Å; Y221-V225 HydrophobicContact CE1-CG2 3.66Å; Y221-V225 WeakPolarHBondContact O-CG2 3.45Å; Y221-V225 PolarHBondContact O-N 3.18Å; E222-V225 PolarHBondContact O-N 2.89Å; V225-M228 WeakPolarHBondContact O-CB 3.26Å; V225-M228 PolarHBondContact O-N 2.96Å; V225-A229 WeakPolarHBondContact O-CB 3.43Å; V225-A229 PolarHBondContact O-N 2.89Å |
| 226 | E | 96.9 | Very high | 96.8 | Very high | 102 Ų | 102 | 97 Ų | 97 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 177.2 | -164.6 | -171.4 | -168.3 | 0 | 0 | 111.8 | E222 Q223 R224 M228 A229 R230 | E222-E226 WeakPolarHBondContact O-CB 2.68Å; E222-E226 PolarHBondContact O-N 2.99Å; Q223-E226 PolarHBondContact O-N 3.12Å; R224-E226 VanDerWaalsContact C-N 3.34Å; E226-M228 VanDerWaalsContact C-N 3.3Å; E226-M228 PolarHBondContact O-N 3.18Å; E226-A229 PolarHBondContact O-N 3.37Å; E226-R230 VanDerWaalsContact CD-CZ 3.43Å; E226-R230 WeakPolarHBondContact O-CG 3.4Å; E226-R230 PolarHBondContact O-N 3.48Å; E226-R230 IonicContact OE1-CZ 2.68Å; E226-R230 IonicContact OE1-NE 3.38Å; E226-R230 IonicContact OE1-NH2 2.83Å; E226-R230 PolarHBondContact OE1-NH2 3.1Å; E226-R230 IonicContact OE2-CZ 3.59Å; E226-R230 IonicContact OE2-NH1 2.87Å; E226-R230 IonicContact OE2-NH2 3.26Å; E226-R230 PolarHBondContact OE2-NH2 3.19Å |
| 227 | A | 96.5 | Very high | 96.7 | Very high | 39 Ų | 39 | 98.7 Ų | 98.7 | 32% | 0.322 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q223 R224 R230 M231 | Q223-A227 WeakPolarHBondContact O-CB 3.43Å; Q223-A227 PolarHBondContact O-N 3.09Å; R224-A227 PolarHBondContact O-N 3.43Å; A227-R230 PolarHBondContact O-N 2.94Å; A227-M231 WeakPolarHBondContact O-CB 3.5Å; A227-M231 WeakPolarHBondContact O-CG 2.99Å; A227-M231 PolarHBondContact O-N 3.01Å |
| 228 | M | 95.6 | Very high | 96.7 | Very high | 97 Ų | 97 | 100.5 Ų | 100.5 | 48% | 0.478 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 175.7 | -169 | -178 | -60.3 | 0 | 0 | 111.8 | R224 V225 E226 M231 A232 | R224-M228 WeakPolarHBondContact O-CB 3.35Å; R224-M228 PolarHBondContact O-N 3Å; V225-M228 WeakPolarHBondContact O-CB 3.26Å; V225-M228 PolarHBondContact O-N 2.96Å; E226-M228 VanDerWaalsContact C-N 3.3Å; E226-M228 PolarHBondContact O-N 3.18Å; M228-M231 HydrophobicContact CB-CE 4.49Å; M228-M231 PolarHBondContact O-N 3.35Å; M228-A232 WeakPolarHBondContact O-CB 3.26Å; M228-A232 PolarHBondContact O-N 2.83Å |
| 229 | A | 97.1 | Very high | 96.6 | Very high | 58 Ų | 58 | 103.8 Ų | 103.8 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V225 E226 A232 A233 | V225-A229 WeakPolarHBondContact O-CB 3.43Å; V225-A229 PolarHBondContact O-N 2.89Å; E226-A229 PolarHBondContact O-N 3.37Å; A229-A232 PolarHBondContact O-N 3.5Å; A229-A233 PolarHBondContact O-N 3.35Å |
| 230 | R | 96.9 | Very high | 96.5 | Very high | 140 Ų | 140 | 105.3 Ų | 105.3 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 174.4 | -68.5 | -175.7 | -165.5 | 126.4 | -4.4 | 111.9 | E226 A227 A232 A233 M234 | E226-R230 VanDerWaalsContact CD-CZ 3.43Å; E226-R230 WeakPolarHBondContact O-CG 3.4Å; E226-R230 PolarHBondContact O-N 3.48Å; E226-R230 IonicContact OE1-CZ 2.68Å; E226-R230 IonicContact OE1-NE 3.38Å; E226-R230 IonicContact OE1-NH2 2.83Å; E226-R230 PolarHBondContact OE1-NH2 3.1Å; E226-R230 IonicContact OE2-CZ 3.59Å; E226-R230 IonicContact OE2-NH1 2.87Å; E226-R230 IonicContact OE2-NH2 3.26Å; E226-R230 PolarHBondContact OE2-NH2 3.19Å; A227-R230 PolarHBondContact O-N 2.94Å; R230-A232 VanDerWaalsContact C-N 3.34Å; R230-A232 PolarHBondContact O-N 2.96Å; R230-A233 PolarHBondContact O-N 3.03Å; R230-M234 WeakPolarHBondContact O-CG 3.5Å; R230-M234 PolarHBondContact O-N 3.48Å |
| 231 | M | 95.4 | Very high | 96.5 | Very high | 110 Ų | 110 | 106.4 Ų | 106.4 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 175.7 | -76.8 | -170 | -68.6 | 0 | 0 | 112.1 | A227 M228 M234 K235 | A227-M231 WeakPolarHBondContact O-CB 3.5Å; A227-M231 WeakPolarHBondContact O-CG 2.99Å; A227-M231 PolarHBondContact O-N 3.01Å; M228-M231 HydrophobicContact CB-CE 4.49Å; M228-M231 PolarHBondContact O-N 3.35Å; M231-M234 PolarHBondContact O-N 3.17Å; M231-K235 WeakPolarHBondContact O-CB 3.44Å; M231-K235 WeakPolarHBondContact O-CG 3.34Å; M231-K235 PolarHBondContact O-N 3.19Å |
| 232 | A | 96.5 | Very high | 96.4 | Very high | 48 Ų | 48 | 103.3 Ų | 103.3 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M228 A229 R230 M234 K235 D236 | M228-A232 WeakPolarHBondContact O-CB 3.26Å; M228-A232 PolarHBondContact O-N 2.83Å; A229-A232 PolarHBondContact O-N 3.5Å; R230-A232 VanDerWaalsContact C-N 3.34Å; R230-A232 PolarHBondContact O-N 2.96Å; A232-M234 PolarHBondContact O-N 3.26Å; A232-K235 PolarHBondContact O-N 2.85Å; A232-D236 PolarHBondContact O-N 3.15Å |
| 233 | A | 96.7 | Very high | 96.2 | Very high | 63 Ų | 63 | 100.6 Ų | 100.6 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A229 R230 D236 R237 | A229-A233 PolarHBondContact O-N 3.35Å; R230-A233 PolarHBondContact O-N 3.03Å; A233-D236 PolarHBondContact O-N 2.96Å; A233-R237 PolarHBondContact O-N 3.36Å |
| 234 | M | 95.6 | Very high | 96.1 | Very high | 127 Ų | 127 | 100.9 Ų | 100.9 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -42.7 | 175.8 | -73.1 | -64.7 | -71.6 | 0 | 0 | 112.3 | R230 M231 A232 D236 R237 Q238 | R230-M234 WeakPolarHBondContact O-CG 3.5Å; R230-M234 PolarHBondContact O-N 3.48Å; M231-M234 PolarHBondContact O-N 3.17Å; A232-M234 PolarHBondContact O-N 3.26Å; M234-D236 VanDerWaalsContact C-N 3.33Å; M234-D236 PolarHBondContact O-N 2.83Å; M234-R237 PolarHBondContact O-N 3.46Å; M234-Q238 WeakPolarHBondContact O-CB 3.41Å; M234-Q238 PolarHBondContact O-N 2.87Å |
| 235 | K | 96.3 | Very high | 96 | Very high | 130 Ų | 130 | 99.8 Ų | 99.8 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 174.9 | -77.8 | -179.1 | 178.8 | -177.9 | 0 | 111.7 | M231 A232 Q238 K239 | M231-K235 WeakPolarHBondContact O-CB 3.44Å; M231-K235 WeakPolarHBondContact O-CG 3.34Å; M231-K235 PolarHBondContact O-N 3.19Å; A232-K235 PolarHBondContact O-N 2.85Å; K235-Q238 PolarHBondContact O-N 3.07Å; K235-K239 VanDerWaalsContact O-CG 3.31Å; K235-K239 WeakPolarHBondContact O-CG 3.16Å; K235-K239 PolarHBondContact O-N 3.45Å |
| 236 | D | 95.8 | Very high | 95.9 | Very high | 78 Ų | 78 | 99.6 Ų | 99.6 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.7 | -34.5 | 179.1 | -71.5 | -18.5 | 0 | 0 | 0 | 112.2 | A232 A233 M234 K239 K240 | A232-D236 PolarHBondContact O-N 3.15Å; A233-D236 PolarHBondContact O-N 2.96Å; M234-D236 VanDerWaalsContact C-N 3.33Å; M234-D236 PolarHBondContact O-N 2.83Å; D236-K239 IonicContact OD1-NZ 2.67Å; D236-K239 PolarHBondContact OD1-NZ 2.9Å; D236-K240 WeakPolarHBondContact O-CG 3.3Å; D236-K240 PolarHBondContact O-N 3.38Å; D236-K240 VanDerWaalsContact O-N 3.13Å |
| 237 | R | 95.9 | Very high | 95.7 | Very high | 164 Ų | 164 | 99 Ų | 99 | 62% | 0.619 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.4 | -49.4 | 168.5 | -174.2 | 176.9 | 179.9 | 163 | 1.8 | 111.4 | A233 M234 K239 K240 D241 | A233-R237 PolarHBondContact O-N 3.36Å; M234-R237 PolarHBondContact O-N 3.46Å; R237-K239 VanDerWaalsContact C-N 3.31Å; R237-K239 PolarHBondContact O-N 2.87Å; R237-K240 WeakPolarHBondContact O-CA 3.33Å; R237-K240 WeakPolarHBondContact O-CB 3.49Å; R237-K240 PolarHBondContact O-N 3.46Å; R237-D241 VanDerWaalsContact O-CG 3.32Å; R237-D241 PolarHBondContact O-N 2.92Å |
| 238 | Q | 95.8 | Very high | 95.7 | Very high | 118 Ų | 118 | 102.4 Ų | 102.4 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.8 | -41.9 | 177.8 | -173.6 | -175.6 | 12.1 | 0 | 0 | 112.1 | M234 K235 K240 D241 I242 | M234-Q238 WeakPolarHBondContact O-CB 3.41Å; M234-Q238 PolarHBondContact O-N 2.87Å; K235-Q238 PolarHBondContact O-N 3.07Å; Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 3.08Å; Q238-D241 PolarHBondContact O-N 3.14Å; Q238-I242 HydrophobicContact CG-CD1 3.94Å; Q238-I242 HydrophobicContact CG-CG1 4.47Å; Q238-I242 WeakPolarHBondContact O-CB 3.45Å; Q238-I242 VanDerWaalsContact O-CG1 3.26Å; Q238-I242 WeakPolarHBondContact O-CG1 3.33Å; Q238-I242 PolarHBondContact O-N 3.41Å |
| 239 | K | 95.8 | Very high | 95.6 | Very high | 128 Ų | 128 | 100.3 Ų | 100.3 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -41.8 | 174.4 | -73.1 | 171.6 | -166.4 | 159.9 | 0 | 111.9 | K235 D236 R237 S243 | K235-K239 VanDerWaalsContact O-CG 3.31Å; K235-K239 WeakPolarHBondContact O-CG 3.16Å; K235-K239 PolarHBondContact O-N 3.45Å; D236-K239 IonicContact OD1-NZ 2.67Å; D236-K239 PolarHBondContact OD1-NZ 2.9Å; R237-K239 VanDerWaalsContact C-N 3.31Å; R237-K239 PolarHBondContact O-N 2.87Å; K239-S243 WeakPolarHBondContact O-CB 3.5Å; K239-S243 PolarHBondContact O-N 3.32Å; K239-S243 PolarHBondContact O-OG 2.92Å |
| 240 | K | 96.3 | Very high | 95.4 | Very high | 139 Ų | 139 | 103.6 Ų | 103.6 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.7 | -46.6 | 176 | -71.7 | 175.2 | -178.1 | -179.1 | 0 | 110.9 | D236 R237 Q238 I242 S243 Q244 | D236-K240 WeakPolarHBondContact O-CG 3.3Å; D236-K240 PolarHBondContact O-N 3.38Å; D236-K240 VanDerWaalsContact O-N 3.13Å; R237-K240 WeakPolarHBondContact O-CA 3.33Å; R237-K240 WeakPolarHBondContact O-CB 3.49Å; R237-K240 PolarHBondContact O-N 3.46Å; Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 3.08Å; K240-I242 PolarHBondContact O-N 2.94Å; K240-S243 WeakPolarHBondContact CA-OG 3.25Å; K240-S243 WeakPolarHBondContact O-CA 3.44Å; K240-S243 WeakPolarHBondContact O-CB 3.33Å; K240-S243 PolarHBondContact O-N 3.37Å; K240-S243 VanDerWaalsContact O-N 3.09Å; K240-S243 PolarHBondContact O-OG 3.25Å; K240-Q244 WeakPolarHBondContact O-CG 3.46Å; K240-Q244 PolarHBondContact O-N 3.44Å |
| 241 | D | 95.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 101.7 Ų | 101.7 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 179.2 | -60.5 | -13.6 | 0 | 0 | 0 | 111.3 | R237 Q238 S243 Q244 Y245 | R237-D241 VanDerWaalsContact O-CG 3.32Å; R237-D241 PolarHBondContact O-N 2.92Å; Q238-D241 PolarHBondContact O-N 3.14Å; D241-S243 VanDerWaalsContact C-N 3.31Å; D241-S243 PolarHBondContact O-N 3.13Å; D241-Q244 PolarHBondContact O-N 3.5Å; D241-Y245 WeakPolarHBondContact O-CB 3.07Å; D241-Y245 PolarHBondContact O-N 3.45Å |
| 242 | I | 94.8 | Very high | 95.1 | Very high | 86 Ų | 86 | 101.9 Ų | 101.9 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 172.8 | -69.7 | 166.9 | 0 | 0 | 0 | 110.7 | Q238 K240 Q244 N246 | Q238-I242 HydrophobicContact CG-CD1 3.94Å; Q238-I242 HydrophobicContact CG-CG1 4.47Å; Q238-I242 WeakPolarHBondContact O-CB 3.45Å; Q238-I242 VanDerWaalsContact O-CG1 3.26Å; Q238-I242 WeakPolarHBondContact O-CG1 3.33Å; Q238-I242 PolarHBondContact O-N 3.41Å; K240-I242 PolarHBondContact O-N 2.94Å; I242-Q244 VanDerWaalsContact C-N 3.33Å; I242-Q244 PolarHBondContact O-N 3.38Å; I242-N246 WeakPolarHBondContact CG2-ND2 3.29Å; I242-N246 VanDerWaalsContact O-CB 3.29Å; I242-N246 WeakPolarHBondContact O-CB 3.32Å; I242-N246 PolarHBondContact O-N 3.04Å; I242-N246 PolarHBondContact O-ND2 2.93Å; I242-N246 VanDerWaalsContact O-ND2 3.14Å |
| 243 | S | 94.9 | Very high | 94.9 | Very high | 67 Ų | 67 | 105.1 Ų | 105.1 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -36 | 178.4 | 75.9 | 0 | 0 | 0 | 0 | 112.6 | K239 K240 D241 L247 | K239-S243 WeakPolarHBondContact O-CB 3.5Å; K239-S243 PolarHBondContact O-N 3.32Å; K239-S243 PolarHBondContact O-OG 2.92Å; K240-S243 WeakPolarHBondContact CA-OG 3.25Å; K240-S243 WeakPolarHBondContact O-CA 3.44Å; K240-S243 WeakPolarHBondContact O-CB 3.33Å; K240-S243 PolarHBondContact O-N 3.37Å; K240-S243 VanDerWaalsContact O-N 3.09Å; K240-S243 PolarHBondContact O-OG 3.25Å; D241-S243 VanDerWaalsContact C-N 3.31Å; D241-S243 PolarHBondContact O-N 3.13Å; S243-L247 PolarHBondContact O-N 2.93Å |
| 244 | Q | 95.4 | Very high | 94.7 | Very high | 116 Ų | 116 | 110.5 Ų | 110.5 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.9 | -50.3 | 174.4 | -72.8 | 177.3 | -10 | 0 | 0 | 111.2 | K240 D241 I242 N246 L247 E248 | K240-Q244 WeakPolarHBondContact O-CG 3.46Å; K240-Q244 PolarHBondContact O-N 3.44Å; D241-Q244 PolarHBondContact O-N 3.5Å; I242-Q244 VanDerWaalsContact C-N 3.33Å; I242-Q244 PolarHBondContact O-N 3.38Å; Q244-N246 VanDerWaalsContact C-N 3.31Å; Q244-N246 PolarHBondContact O-N 3.05Å; Q244-L247 WeakPolarHBondContact O-CA 3.36Å; Q244-L247 VanDerWaalsContact O-CB 3.31Å; Q244-L247 WeakPolarHBondContact O-CB 3.49Å; Q244-L247 PolarHBondContact O-N 3.48Å; Q244-E248 PolarHBondContact O-N 3.31Å |
| 245 | Y | 95.1 | Very high | 94.6 | Very high | 141 Ų | 141 | 109.8 Ų | 109.8 | 55% | 0.553 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.6 | -43.1 | 176 | 177.8 | -104.9 | 0 | 0 | 0 | 112.5 | D241 L247 E248 I249 | D241-Y245 WeakPolarHBondContact O-CB 3.07Å; D241-Y245 PolarHBondContact O-N 3.45Å; Y245-L247 PolarHBondContact O-N 2.97Å; Y245-E248 PolarHBondContact O-N 2.92Å; Y245-I249 HydrophobicContact CD1-CD1 3.9Å; Y245-I249 HydrophobicContact CD1-CG1 4.41Å; Y245-I249 HydrophobicContact CE1-CD1 3.21Å; Y245-I249 HydrophobicContact CE1-CG1 4.04Å; Y245-I249 HydrophobicContact CE2-CD1 4.19Å; Y245-I249 HydrophobicContact CE2-CG1 4.3Å; Y245-I249 WeakPolarHBondContact O-CG1 3.43Å; Y245-I249 PolarHBondContact O-N 2.86Å |
| 246 | N | 94.6 | Very high | 94.3 | Very high | 65 Ų | 65 | 111 Ų | 111 | 35% | 0.348 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -29.3 | 174.9 | -74 | -27.2 | 0 | 0 | 0 | 112.7 | I242 Q244 R250 | I242-N246 WeakPolarHBondContact CG2-ND2 3.29Å; I242-N246 VanDerWaalsContact O-CB 3.29Å; I242-N246 WeakPolarHBondContact O-CB 3.32Å; I242-N246 PolarHBondContact O-N 3.04Å; I242-N246 PolarHBondContact O-ND2 2.93Å; I242-N246 VanDerWaalsContact O-ND2 3.14Å; Q244-N246 VanDerWaalsContact C-N 3.31Å; Q244-N246 PolarHBondContact O-N 3.05Å; N246-R250 VanDerWaalsContact O-CG 3.26Å; N246-R250 WeakPolarHBondContact O-CG 3.28Å; N246-R250 PolarHBondContact O-N 3.49Å |
| 247 | L | 94.5 | Very high | 94.1 | Very high | 88 Ų | 88 | 110 Ų | 110 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.5 | -45.8 | 175.2 | -172.2 | 145.9 | 0 | 0 | 0 | 110.5 | S243 Q244 Y245 I249 R250 E251 | S243-L247 PolarHBondContact O-N 2.93Å; Q244-L247 WeakPolarHBondContact O-CA 3.36Å; Q244-L247 VanDerWaalsContact O-CB 3.31Å; Q244-L247 WeakPolarHBondContact O-CB 3.49Å; Q244-L247 PolarHBondContact O-N 3.48Å; Y245-L247 PolarHBondContact O-N 2.97Å; L247-I249 PolarHBondContact O-N 3.4Å; L247-R250 PolarHBondContact O-N 2.8Å; L247-E251 HydrophobicContact CD2-CG 4.43Å; L247-E251 VanDerWaalsContact CD2-OE1 3.27Å; L247-E251 WeakPolarHBondContact CD2-OE1 3.39Å; L247-E251 WeakPolarHBondContact O-CG 3.23Å; L247-E251 PolarHBondContact O-N 3.47Å |
| 248 | E | 94.8 | Very high | 93.8 | Very high | 112 Ų | 112 | 108.6 Ų | 108.6 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 174.5 | -68.3 | 174.1 | -174.2 | 0 | 0 | 112 | Q244 Y245 R250 E251 L252 | Q244-E248 PolarHBondContact O-N 3.31Å; Y245-E248 PolarHBondContact O-N 2.92Å; E248-R250 VanDerWaalsContact C-N 3.34Å; E248-R250 PolarHBondContact O-N 3.33Å; E248-E251 WeakPolarHBondContact O-CB 3.35Å; E248-E251 PolarHBondContact O-N 2.87Å; E248-E251 VanDerWaalsContact O-N 3.16Å; E248-L252 WeakPolarHBondContact O-CG 3.44Å; E248-L252 PolarHBondContact O-N 2.94Å |
| 249 | I | 94 | Very high | 93.4 | Very high | 52 Ų | 52 | 107.8 Ų | 107.8 | 27% | 0.267 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 174.2 | -77 | -172.4 | 0 | 0 | 0 | 110.8 | Y245 L247 E251 L252 E253 | Y245-I249 HydrophobicContact CD1-CD1 3.9Å; Y245-I249 HydrophobicContact CD1-CG1 4.41Å; Y245-I249 HydrophobicContact CE1-CD1 3.21Å; Y245-I249 HydrophobicContact CE1-CG1 4.04Å; Y245-I249 HydrophobicContact CE2-CD1 4.19Å; Y245-I249 HydrophobicContact CE2-CG1 4.3Å; Y245-I249 WeakPolarHBondContact O-CG1 3.43Å; Y245-I249 PolarHBondContact O-N 2.86Å; L247-I249 PolarHBondContact O-N 3.4Å; I249-E251 PolarHBondContact O-N 2.96Å; I249-L252 PolarHBondContact O-N 3.41Å; I249-E253 HydrophobicContact CG2-CG 4.1Å; I249-E253 WeakPolarHBondContact O-CB 3.34Å; I249-E253 WeakPolarHBondContact O-CG 3.35Å; I249-E253 PolarHBondContact O-N 3.48Å |
| 250 | R | 94.1 | Very high | 93.1 | Very high | 127 Ų | 127 | 103.1 Ų | 103.1 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -33.8 | -179.9 | -74.3 | -178.3 | -143.6 | 119.3 | -3.9 | 111.9 | N246 L247 E248 R254 | N246-R250 VanDerWaalsContact O-CG 3.26Å; N246-R250 WeakPolarHBondContact O-CG 3.28Å; N246-R250 PolarHBondContact O-N 3.49Å; L247-R250 PolarHBondContact O-N 2.8Å; E248-R250 VanDerWaalsContact C-N 3.34Å; E248-R250 PolarHBondContact O-N 3.33Å; R250-R254 WeakPolarHBondContact O-CG 3.49Å; R250-R254 PolarHBondContact O-N 3.37Å |
| 251 | E | 92.1 | Very high | 92.6 | Very high | 100 Ų | 100 | 106.2 Ų | 106.2 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.6 | -45 | 174.4 | -71.4 | 178.4 | 175 | 0 | 0 | 111.8 | L247 E248 I249 E253 R254 L255 | L247-E251 HydrophobicContact CD2-CG 4.43Å; L247-E251 VanDerWaalsContact CD2-OE1 3.27Å; L247-E251 WeakPolarHBondContact CD2-OE1 3.39Å; L247-E251 WeakPolarHBondContact O-CG 3.23Å; L247-E251 PolarHBondContact O-N 3.47Å; E248-E251 WeakPolarHBondContact O-CB 3.35Å; E248-E251 PolarHBondContact O-N 2.87Å; E248-E251 VanDerWaalsContact O-N 3.16Å; I249-E251 PolarHBondContact O-N 2.96Å; E251-E253 PolarHBondContact O-N 3.22Å; E251-R254 WeakPolarHBondContact O-CB 3.01Å; E251-R254 PolarHBondContact O-N 3.23Å; E251-L255 WeakPolarHBondContact O-CG 3.39Å; E251-L255 PolarHBondContact O-N 3.48Å |
| 252 | L | 93.1 | Very high | 92.1 | Very high | 114 Ų | 114 | 107.7 Ų | 107.7 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 174.5 | -70.3 | 174.4 | 0 | 0 | 0 | 112.1 | E248 I249 R254 L255 Y256 | E248-L252 WeakPolarHBondContact O-CG 3.44Å; E248-L252 PolarHBondContact O-N 2.94Å; I249-L252 PolarHBondContact O-N 3.41Å; L252-R254 VanDerWaalsContact C-N 3.33Å; L252-R254 PolarHBondContact O-N 3.28Å; L252-L255 PolarHBondContact O-N 2.82Å; L252-Y256 VanDerWaalsContact O-CB 3.32Å; L252-Y256 WeakPolarHBondContact O-CB 3.37Å; L252-Y256 PolarHBondContact O-N 3.12Å |
| 253 | E | 92.8 | Very high | 91.6 | Very high | 117 Ų | 117 | 109.7 Ų | 109.7 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 174.3 | -75.9 | 175.7 | 165.9 | 0 | 0 | 111.6 | I249 E251 Y256 A257 | I249-E253 HydrophobicContact CG2-CG 4.1Å; I249-E253 WeakPolarHBondContact O-CB 3.34Å; I249-E253 WeakPolarHBondContact O-CG 3.35Å; I249-E253 PolarHBondContact O-N 3.48Å; E251-E253 PolarHBondContact O-N 3.22Å; E253-Y256 PolarHBondContact O-N 3.25Å; E253-A257 VanDerWaalsContact O-CB 3.24Å; E253-A257 WeakPolarHBondContact O-CB 3.3Å; E253-A257 PolarHBondContact O-N 3.05Å |
| 254 | R | 91.8 | Very high | 90.9 | Very high | 176 Ų | 176 | 109.8 Ų | 109.8 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 174.3 | -74.2 | 168.5 | -171.8 | 174.8 | 2.9 | 111.7 | R250 E251 L252 A257 H258 | R250-R254 WeakPolarHBondContact O-CG 3.49Å; R250-R254 PolarHBondContact O-N 3.37Å; E251-R254 WeakPolarHBondContact O-CB 3.01Å; E251-R254 PolarHBondContact O-N 3.23Å; L252-R254 VanDerWaalsContact C-N 3.33Å; L252-R254 PolarHBondContact O-N 3.28Å; R254-A257 PolarHBondContact O-N 3.47Å; R254-H258 WeakPolarHBondContact O-CB 3.41Å; R254-H258 PolarHBondContact O-N 2.82Å |
| 255 | L | 93.2 | Very high | 90.1 | Very high | 112 Ų | 112 | 110.5 Ų | 110.5 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 175.9 | -70.4 | 174.1 | 0 | 0 | 0 | 111.3 | E251 L252 A257 H258 E259 | E251-L255 WeakPolarHBondContact O-CG 3.39Å; E251-L255 PolarHBondContact O-N 3.48Å; L252-L255 PolarHBondContact O-N 2.82Å; L255-A257 PolarHBondContact O-N 3.22Å; L255-H258 WeakPolarHBondContact O-CB 3.49Å; L255-H258 PolarHBondContact O-N 2.9Å; L255-E259 PolarHBondContact O-N 3.39Å |
| 256 | Y | 91.4 | Very high | 89.1 | Confident | 155 Ų | 155 | 108.9 Ų | 108.9 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 177.6 | -179.3 | -96.2 | 0 | 0 | 0 | 112.4 | L252 E253 H258 E259 S260 | L252-Y256 VanDerWaalsContact O-CB 3.32Å; L252-Y256 WeakPolarHBondContact O-CB 3.37Å; L252-Y256 PolarHBondContact O-N 3.12Å; E253-Y256 PolarHBondContact O-N 3.25Å; Y256-H258 VanDerWaalsContact C-N 3.32Å; Y256-E259 PolarHBondContact O-N 2.96Å; Y256-S260 VanDerWaalsContact CE1-OG 3.26Å; Y256-S260 WeakPolarHBondContact CE1-OG 3.32Å; Y256-S260 WeakPolarHBondContact O-CB 3.41Å; Y256-S260 PolarHBondContact O-N 3.5Å; Y256-S260 PolarHBondContact O-OG 2.96Å |
| 257 | A | 90.3 | Very high | 88.2 | Confident | 58 Ų | 58 | 110.5 Ų | 110.5 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | E253 R254 L255 R261 | E253-A257 VanDerWaalsContact O-CB 3.24Å; E253-A257 WeakPolarHBondContact O-CB 3.3Å; E253-A257 PolarHBondContact O-N 3.05Å; R254-A257 PolarHBondContact O-N 3.47Å; L255-A257 PolarHBondContact O-N 3.22Å; A257-R261 WeakPolarHBondContact O-CB 3.26Å; A257-R261 PolarHBondContact O-N 3.22Å |
| 258 | H | 89.3 | Confident | 86.9 | Confident | 133 Ų | 133 | 111.9 Ų | 111.9 | 62% | 0.616 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -48.6 | 173.5 | -176.6 | -83 | 0 | 0 | 0 | 111.7 | R254 L255 Y256 R261 L262 | R254-H258 WeakPolarHBondContact O-CB 3.41Å; R254-H258 PolarHBondContact O-N 2.82Å; L255-H258 WeakPolarHBondContact O-CB 3.49Å; L255-H258 PolarHBondContact O-N 2.9Å; Y256-H258 VanDerWaalsContact C-N 3.32Å; H258-R261 PolarHBondContact O-N 2.67Å; H258-L262 WeakPolarHBondContact O-CB 3.4Å; H258-L262 PolarHBondContact O-N 2.67Å |
| 259 | E | 87.6 | Confident | 85.6 | Confident | 102 Ų | 102 | 113.8 Ų | 113.8 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 175.2 | -76.6 | -166.8 | 175.9 | 0 | 0 | 112.9 | L255 Y256 L262 K263 | L255-E259 PolarHBondContact O-N 3.39Å; Y256-E259 PolarHBondContact O-N 2.96Å; E259-L262 CarbonylContact O-C 3.6Å; E259-L262 WeakPolarHBondContact O-CB 3.43Å; E259-L262 PolarHBondContact O-N 3.25Å; E259-K263 WeakPolarHBondContact O-CB 3.49Å; E259-K263 WeakPolarHBondContact O-CG 3.37Å; E259-K263 PolarHBondContact O-N 3.31Å |
| 260 | S | 88.9 | Confident | 83.9 | Confident | 30 Ų | 30 | 117.4 Ų | 117.4 | 21% | 0.21 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -65.6 | -41.4 | 177.8 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | Y256 L262 K263 S264 | Y256-S260 VanDerWaalsContact CE1-OG 3.26Å; Y256-S260 WeakPolarHBondContact CE1-OG 3.32Å; Y256-S260 WeakPolarHBondContact O-CB 3.41Å; Y256-S260 PolarHBondContact O-N 3.5Å; Y256-S260 PolarHBondContact O-OG 2.96Å; S260-L262 VanDerWaalsContact C-N 3.29Å; S260-L262 PolarHBondContact O-N 3.43Å; S260-K263 PolarHBondContact O-N 3.04Å; S260-S264 VanDerWaalsContact O-CB 3.25Å; S260-S264 WeakPolarHBondContact O-CB 3.33Å; S260-S264 PolarHBondContact O-N 3.22Å; S260-S264 PolarHBondContact O-OG 2.85Å |
| 261 | R | 85.9 | Confident | 81.8 | Confident | 203 Ų | 203 | 116.2 Ų | 116.2 | 77% | 0.766 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61 | -39.8 | 173 | -173 | 175.6 | -178.6 | 170.2 | 0.4 | 111.4 | A257 H258 F265 | A257-R261 WeakPolarHBondContact O-CB 3.26Å; A257-R261 PolarHBondContact O-N 3.22Å; H258-R261 PolarHBondContact O-N 2.67Å; R261-F265 WeakPolarHBondContact O-CB 3.46Å; R261-F265 PolarHBondContact O-N 3.33Å |
| 262 | L | 84.9 | Confident | 79.8 | Confident | 108 Ų | 108 | 118.8 Ų | 118.8 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.6 | -47.3 | 174.3 | -178.1 | 65.7 | 0 | 0 | 0 | 111.9 | H258 E259 S260 F265 L266 | H258-L262 WeakPolarHBondContact O-CB 3.4Å; H258-L262 PolarHBondContact O-N 2.67Å; E259-L262 CarbonylContact O-C 3.6Å; E259-L262 WeakPolarHBondContact O-CB 3.43Å; E259-L262 PolarHBondContact O-N 3.25Å; S260-L262 VanDerWaalsContact C-N 3.29Å; S260-L262 PolarHBondContact O-N 3.43Å; L262-F265 PolarHBondContact O-N 3.07Å; L262-L266 WeakPolarHBondContact O-CB 3.45Å; L262-L266 PolarHBondContact O-N 2.95Å |
| 263 | K | 84.4 | Confident | 77.7 | Confident | 127 Ų | 127 | 124.7 Ų | 124.7 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.1 | -48.4 | 176.6 | -75.9 | 175.7 | -178.6 | 166.3 | 0 | 111.5 | E259 S260 F265 L266 L267 | E259-K263 WeakPolarHBondContact O-CB 3.49Å; E259-K263 WeakPolarHBondContact O-CG 3.37Å; E259-K263 PolarHBondContact O-N 3.31Å; S260-K263 PolarHBondContact O-N 3.04Å; K263-F265 VanDerWaalsContact C-N 3.33Å; K263-F265 PolarHBondContact O-N 3.25Å; K263-L266 CarbonylContact O-C 3.58Å; K263-L266 WeakPolarHBondContact O-CB 3.42Å; K263-L266 PolarHBondContact O-N 3.27Å; K263-L266 VanDerWaalsContact O-N 3.11Å; K263-L267 WeakPolarHBondContact O-CB 3.47Å; K263-L267 PolarHBondContact O-N 3.41Å |
| 264 | S | 80.8 | Confident | 75.5 | Confident | 70 Ų | 70 | 126.3 Ų | 126.3 | 49% | 0.49 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.1 | -40.7 | 176 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | S260 L266 L267 V268 | S260-S264 VanDerWaalsContact O-CB 3.25Å; S260-S264 WeakPolarHBondContact O-CB 3.33Å; S260-S264 PolarHBondContact O-N 3.22Å; S260-S264 PolarHBondContact O-OG 2.85Å; S264-L266 VanDerWaalsContact C-N 3.33Å; S264-L266 PolarHBondContact O-N 2.86Å; S264-L267 PolarHBondContact O-N 3.23Å; S264-V268 WeakPolarHBondContact O-CB 3.44Å; S264-V268 VanDerWaalsContact O-CG2 3.23Å; S264-V268 WeakPolarHBondContact O-CG2 3.42Å; S264-V268 PolarHBondContact O-N 2.67Å |
| 265 | F | 78.3 | Confident | 73.6 | Confident | 130 Ų | 130 | 125.1 Ų | 125.1 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.6 | -43.1 | 172.7 | 177 | -96.7 | 0 | 0 | 0 | 111.5 | R261 L262 K263 K269 | R261-F265 WeakPolarHBondContact O-CB 3.46Å; R261-F265 PolarHBondContact O-N 3.33Å; L262-F265 PolarHBondContact O-N 3.07Å; K263-F265 VanDerWaalsContact C-N 3.33Å; K263-F265 PolarHBondContact O-N 3.25Å; F265-K269 HydrophobicContact CE1-CG 4.34Å; F265-K269 HydrophobicContact CZ-CG 4.34Å; F265-K269 WeakPolarHBondContact O-CB 3.45Å; F265-K269 VanDerWaalsContact O-CG 3.22Å; F265-K269 WeakPolarHBondContact O-CG 3.38Å; F265-K269 PolarHBondContact O-N 2.95Å; F265-K269 VanDerWaalsContact O-N 3.12Å |
| 266 | L | 73.6 | Confident | 71.6 | Confident | 108 Ų | 108 | 129 Ų | 129 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.6 | -41.6 | 176 | -159.3 | 74.9 | 0 | 0 | 0 | 112.1 | L262 K263 S264 K269 L270 | L262-L266 WeakPolarHBondContact O-CB 3.45Å; L262-L266 PolarHBondContact O-N 2.95Å; K263-L266 CarbonylContact O-C 3.58Å; K263-L266 WeakPolarHBondContact O-CB 3.42Å; K263-L266 PolarHBondContact O-N 3.27Å; K263-L266 VanDerWaalsContact O-N 3.11Å; S264-L266 VanDerWaalsContact C-N 3.33Å; S264-L266 PolarHBondContact O-N 2.86Å; L266-K269 WeakPolarHBondContact O-CB 3.36Å; L266-K269 PolarHBondContact O-N 3.43Å; L266-L270 HydrophobicContact CG-CD1 4.23Å; L266-L270 WeakPolarHBondContact O-CD1 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.37Å; L266-L270 PolarHBondContact O-N 3.5Å; L266-L270 VanDerWaalsContact O-N 3.17Å |
| 267 | L | 75.8 | Confident | 69.7 | Low | 99 Ų | 99 | 129.9 Ų | 129.9 | 52% | 0.518 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72 | -39.7 | -177.2 | -148.3 | 149.2 | 0 | 0 | 0 | 111.7 | K263 S264 K269 L270 N271 | K263-L267 WeakPolarHBondContact O-CB 3.47Å; K263-L267 PolarHBondContact O-N 3.41Å; S264-L267 PolarHBondContact O-N 3.23Å; L267-K269 VanDerWaalsContact C-N 3.26Å; L267-K269 PolarHBondContact O-N 2.72Å; L267-L270 PolarHBondContact O-N 2.99Å; L267-N271 VanDerWaalsContact CD2-ND2 3.33Å; L267-N271 WeakPolarHBondContact CD2-ND2 3.47Å; L267-N271 PolarHBondContact O-N 3.23Å |
| 268 | V | 68.2 | Low | 67.9 | Low | 117 Ų | 117 | 133.4 Ų | 133.4 | 71% | 0.709 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.7 | -27.9 | 171.8 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | S264 L270 | S264-V268 WeakPolarHBondContact O-CB 3.44Å; S264-V268 VanDerWaalsContact O-CG2 3.23Å; S264-V268 WeakPolarHBondContact O-CG2 3.42Å; S264-V268 PolarHBondContact O-N 2.67Å; V268-L270 VanDerWaalsContact C-N 3.31Å |
| 269 | K | 67.6 | Low | 66 | Low | 152 Ų | 152 | 134.1 Ų | 134.1 | 66% | 0.661 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.5 | -16.9 | 171.5 | -72.9 | -71.1 | -176.9 | -177.6 | 0 | 113.4 | F265 L266 L267 | F265-K269 HydrophobicContact CE1-CG 4.34Å; F265-K269 HydrophobicContact CZ-CG 4.34Å; F265-K269 WeakPolarHBondContact O-CB 3.45Å; F265-K269 VanDerWaalsContact O-CG 3.22Å; F265-K269 WeakPolarHBondContact O-CG 3.38Å; F265-K269 PolarHBondContact O-N 2.95Å; F265-K269 VanDerWaalsContact O-N 3.12Å; L266-K269 WeakPolarHBondContact O-CB 3.36Å; L266-K269 PolarHBondContact O-N 3.43Å; L267-K269 VanDerWaalsContact C-N 3.26Å; L267-K269 PolarHBondContact O-N 2.72Å |
| 270 | L | 58.7 | Low | 64.2 | Low | 128 Ų | 128 | 133.2 Ų | 133.2 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -103.6 | -19.3 | -176.5 | -76.9 | 166.1 | 0 | 0 | 0 | 114.3 | L266 L267 V268 | L266-L270 HydrophobicContact CG-CD1 4.23Å; L266-L270 WeakPolarHBondContact O-CD1 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.37Å; L266-L270 PolarHBondContact O-N 3.5Å; L266-L270 VanDerWaalsContact O-N 3.17Å; L267-L270 PolarHBondContact O-N 2.99Å; V268-L270 VanDerWaalsContact C-N 3.31Å |
| 271 | N | 49.4 | Very low | 62.3 | Low | 102 Ų | 102 | 140.5 Ų | 140.5 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | trans | -100.7 | 126.4 | -175.1 | -76.7 | 6.3 | 0 | 0 | 0 | 114.2 | L267 | L267-N271 VanDerWaalsContact CD2-ND2 3.33Å; L267-N271 WeakPolarHBondContact CD2-ND2 3.47Å; L267-N271 PolarHBondContact O-N 3.23Å | ||
| 272 | D | 50.8 | Low | 60.7 | Low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -77.3 | 149.4 | 173.3 | -82.9 | -35.5 | 0 | 0 | 0 | 113 | N274 | D272-N274 VanDerWaalsContact C-N 3.29Å; D272-N274 PolarHBondContact O-N 2.9Å | ||
| 273 | R | 48.3 | Very low | 58.9 | Low | 239 Ų | 239 | 142 Ų | 142 | 90% | 0.902 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 6.2 | -162.4 | -90.4 | 177.3 | 169.8 | 165.3 | -3.7 | 119.2 | ||
| 274 | N | 46.8 | Very low | 57 | Low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -0.5 | -162.5 | -73.3 | -7.7 | 0 | 0 | 0 | 117.4 | D272 | D272-N274 VanDerWaalsContact C-N 3.29Å; D272-N274 PolarHBondContact O-N 2.9Å |
| 275 | E | 51.4 | Low | 55.3 | Low | 151 Ų | 151 | 145.9 Ų | 145.9 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -101 | -2.3 | -170.3 | -64.7 | -172.8 | 162.1 | 0 | 0 | 116 | ||
| 276 | F | 51.7 | Low | 54.1 | Low | 193 Ų | 193 | 147.4 Ų | 147.4 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -12.8 | -174.2 | -83.5 | -79.6 | 0 | 0 | 0 | 115.9 | ||
| 277 | E | 52.2 | Low | 52.7 | Low | 175 Ų | 175 | 152.2 Ų | 152.2 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -14.5 | -176.4 | -78.8 | -172.8 | 150.4 | 0 | 0 | 115 | ||
| 278 | E | 51.7 | Low | 51 | Low | 131 Ų | 131 | 151.9 Ų | 151.9 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -84.4 | -22.7 | -170.1 | -96.5 | -102.3 | 146.7 | 0 | 0 | 114.7 | R282 | E278-R282 IonicContact OE2-NH2 3.61Å; E278-R282 PolarHBondContact OE2-NH2 3.06Å |
| 279 | Q | 49.4 | Very low | 49.8 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -89.1 | -18.1 | -170.7 | -92.6 | 159.1 | -19.1 | 0 | 0 | 115.3 | K281 | Q279-K281 PolarHBondContact O-N 3.43Š|
| 280 | A | 50.2 | Low | 48.2 | Very low | 83 Ų | 83 | 158.3 Ų | 158.3 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -18.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 281 | K | 49 | Very low | 46.8 | Very low | 183 Ų | 183 | 161.2 Ų | 161.2 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -8.7 | -173.8 | -71.3 | 179.5 | -179.3 | 170.2 | 0 | 115 | Q279 | Q279-K281 PolarHBondContact O-N 3.43Š|
| 282 | R | 51.8 | Low | 46 | Very low | 166 Ų | 166 | 161.8 Ų | 161.8 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -90.1 | -13.4 | -175.8 | -68 | -173.6 | -169.5 | 111.5 | 12.2 | 114.5 | E278 | E278-R282 IonicContact OE2-NH2 3.61Å; E278-R282 PolarHBondContact OE2-NH2 3.06Å |
| 283 | E | 48.1 | Very low | 45.2 | Very low | 178 Ų | 178 | 164.1 Ų | 164.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -89.9 | -10.4 | -171.2 | -119.1 | -179.9 | 162.5 | 0 | 0 | 115.3 | ||
| 284 | E | 44.6 | Very low | 44.5 | Very low | 183 Ų | 183 | 162.3 Ų | 162.3 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -93.8 | -8.2 | -169.7 | -149.6 | 171.7 | -172.9 | 0 | 0 | 114.9 | ||
| 285 | A | 44 | Very low | 43.7 | Very low | 94 Ų | 94 | 160 Ų | 160 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -1.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 286 | L | 52.5 | Low | 43 | Very low | 162 Ų | 162 | 161.4 Ų | 161.4 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 4 | -167.1 | -74.7 | 168.1 | 0 | 0 | 0 | 116.5 | ||
| 287 | K | 44.7 | Very low | 42.4 | Very low | 210 Ų | 210 | 154 Ų | 154 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -109.3 | 16.6 | -168.3 | -76 | -173.3 | 178.2 | 174.6 | 0 | 118.4 | ||
| 288 | A | 39.3 | Very low | 42.5 | Very low | 92 Ų | 92 | 154.3 Ų | 154.3 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -138.9 | 59.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 289 | K | 43 | Very low | 42.6 | Very low | 200 Ų | 200 | 153 Ų | 153 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -152.6 | 107 | 159.9 | -70.9 | -170.4 | -179.5 | 171.3 | 0 | 111.6 | ||||
| 290 | K | 35.5 | Very low | 42.5 | Very low | 203 Ų | 203 | 154.4 Ų | 154.4 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 173.5 | 95.6 | 142.4 | -95.4 | 161.5 | -171.8 | -174.8 | 0 | 111.6 | ||||
| 291 | H | 29.4 | Very low | 42.7 | Very low | 190 Ų | 190 | 153.8 Ų | 153.8 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | trans | -154.3 | 141.8 | 154.5 | -110.6 | -46.9 | 0 | 0 | 0 | 110.4 | ||||
| 292 | V | 31 | Very low | 43 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | 92.7 | 106.1 | 160.4 | -176.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 293 | K | 34 | Very low | 43.3 | Very low | 201 Ų | 201 | 149.7 Ų | 149.7 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | -178.6 | 145.8 | 100 | -116.4 | 144.5 | -171.7 | -170.7 | 0 | 114.2 | |||||
| 294 | K | 34.7 | Very low | 43.9 | Very low | 202 Ų | 202 | 146.5 Ų | 146.5 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | trans | -87.5 | 142.5 | 178.7 | -77.2 | 178.2 | 176 | 178.9 | 0 | 109.4 | ||||
| 295 | S | 29.6 | Very low | 44.9 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | 115 | 121.8 | 79.7 | 173.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 296 | K | 36.3 | Very low | 45.9 | Very low | 181 Ų | 181 | 138 Ų | 138 | 79% | 0.787 | 70% | 0.695 | S | S | * | * | 138.9 | 114.3 | 129.7 | -73 | -157.4 | -179.8 | -174.8 | 0 | 114.7 | |||||
| 297 | G | 38.9 | Very low | 46.4 | Very low | 36 Ų | 36 | 134.5 Ų | 134.5 | 37% | 0.371 | 67% | 0.674 | S | S | . | * | trans | -173.6 | 50 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S299 E301 | G297-S299 PolarHBondContact O-N 3.47Å; G297-E301 WeakPolarHBondContact CA-OE1 3.43Å; G297-E301 WeakPolarHBondContact CA-OE2 3.41Å; G297-E301 PolarHBondContact N-OE1 3.46Å; G297-E301 PolarHBondContact N-OE2 3.17Å; G297-E301 WeakPolarHBondContact O-CB 3.44Å; G297-E301 WeakPolarHBondContact O-CG 3.16Å; G297-E301 PolarHBondContact O-N 2.96Å | ||
| 298 | E | 53.9 | Low | 47.5 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 86% | 0.855 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 103 | -180 | -68.1 | 171.2 | 169 | 0 | 0 | 111.2 | E301 | E298-E301 PolarHBondContact N-OE2 2.98Š|
| 299 | S | 54.9 | Low | 48.8 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.1 | -19.8 | 145.8 | -164.9 | 0 | 0 | 0 | 0 | 111.4 | G297 | G297-S299 PolarHBondContact O-N 3.47Š|
| 300 | F | 48.1 | Very low | 50 | Low | 178 Ų | 178 | 126.7 Ų | 126.7 | 78% | 0.781 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -26.7 | 159.9 | -151.7 | -98.9 | 0 | 0 | 0 | 111.2 | S302 E304 | F300-S302 PolarHBondContact O-N 3.27Å; F300-E304 PolarHBondContact O-N 3.45Å |
| 301 | E | 53.5 | Low | 51.4 | Low | 71 Ų | 71 | 119.5 Ų | 119.5 | 33% | 0.332 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.3 | -15.2 | 170.6 | -73.6 | 174.4 | 176.1 | 0 | 0 | 113.3 | G297 E298 V305 | G297-E301 WeakPolarHBondContact CA-OE1 3.43Å; G297-E301 WeakPolarHBondContact CA-OE2 3.41Å; G297-E301 PolarHBondContact N-OE1 3.46Å; G297-E301 PolarHBondContact N-OE2 3.17Å; G297-E301 WeakPolarHBondContact O-CB 3.44Å; G297-E301 WeakPolarHBondContact O-CG 3.16Å; G297-E301 PolarHBondContact O-N 2.96Å; E298-E301 PolarHBondContact N-OE2 2.98Å; E301-V305 HydrophobicContact CB-CG2 3.97Å; E301-V305 VanDerWaalsContact O-CA 3.25Å; E301-V305 WeakPolarHBondContact O-CA 3.32Å; E301-V305 WeakPolarHBondContact O-CB 3.44Å; E301-V305 WeakPolarHBondContact O-CG2 3.41Å; E301-V305 PolarHBondContact O-N 2.88Å |
| 302 | S | 56.3 | Low | 53.2 | Low | 69 Ų | 69 | 118.9 Ų | 118.9 | 48% | 0.483 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.8 | -41.5 | -177.9 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | F300 A306 | F300-S302 PolarHBondContact O-N 3.27Å; S302-A306 WeakPolarHBondContact O-CB 3.37Å; S302-A306 PolarHBondContact O-N 3.28Å |
| 303 | Y | 56.7 | Low | 54.8 | Low | 194 Ų | 194 | 119.7 Ų | 119.7 | 76% | 0.761 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.7 | -39.1 | 172.2 | -82.5 | -82.1 | 0 | 0 | 0 | 111.5 | A306 H307 | Y303-A306 PolarHBondContact O-N 2.87Å; Y303-H307 WeakPolarHBondContact O-CB 3.28Å; Y303-H307 PolarHBondContact O-N 3.43Å |
| 304 | E | 60.9 | Low | 56.1 | Low | 111 Ų | 111 | 110.5 Ų | 110.5 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.1 | -33.9 | 177.1 | -160.4 | 173.5 | -168.3 | 0 | 0 | 111.7 | F300 L308 | F300-E304 PolarHBondContact O-N 3.45Å; E304-L308 HydrophobicContact CG-CD1 4.21Å; E304-L308 WeakPolarHBondContact O-CA 3.48Å; E304-L308 WeakPolarHBondContact O-CB 3.35Å; E304-L308 WeakPolarHBondContact O-CD1 3.33Å; E304-L308 WeakPolarHBondContact O-CG 3.32Å; E304-L308 PolarHBondContact O-N 3.42Å |
| 305 | V | 65.6 | Low | 57.3 | Low | 54 Ų | 54 | 110.6 Ų | 110.6 | 33% | 0.327 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -76 | -32.9 | 171.8 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | E301 R309 | E301-V305 HydrophobicContact CB-CG2 3.97Å; E301-V305 VanDerWaalsContact O-CA 3.25Å; E301-V305 WeakPolarHBondContact O-CA 3.32Å; E301-V305 WeakPolarHBondContact O-CB 3.44Å; E301-V305 WeakPolarHBondContact O-CG2 3.41Å; E301-V305 PolarHBondContact O-N 2.88Å; V305-R309 HydrophobicContact CG1-CG 4.22Å; V305-R309 WeakPolarHBondContact O-CA 3.48Å; V305-R309 WeakPolarHBondContact O-CB 3.48Å; V305-R309 WeakPolarHBondContact O-CG 3.49Å; V305-R309 PolarHBondContact O-N 3.37Å |
| 306 | A | 64.4 | Low | 58.6 | Low | 44 Ų | 44 | 109 Ų | 109 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S302 Y303 R309 L310 | S302-A306 WeakPolarHBondContact O-CB 3.37Å; S302-A306 PolarHBondContact O-N 3.28Å; Y303-A306 PolarHBondContact O-N 2.87Å; A306-R309 PolarHBondContact O-N 3.41Å; A306-L310 WeakPolarHBondContact O-CB 3.49Å; A306-L310 WeakPolarHBondContact O-CG 3.34Å; A306-L310 PolarHBondContact O-N 2.92Å |
| 307 | H | 63.9 | Low | 59.7 | Low | 89 Ų | 89 | 102.5 Ų | 102.5 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 176.2 | -166.1 | -67.2 | 0 | 0 | 0 | 111.8 | Y303 L310 L311 L319 | Y303-H307 WeakPolarHBondContact O-CB 3.28Å; Y303-H307 PolarHBondContact O-N 3.43Å; H307-L310 PolarHBondContact O-N 3.31Å; H307-L311 VanDerWaalsContact ND1-CD1 3.32Å; H307-L311 WeakPolarHBondContact ND1-CD1 3.31Å; H307-L311 VanDerWaalsContact O-CB 3.28Å; H307-L311 WeakPolarHBondContact O-CB 3.41Å; H307-L311 WeakPolarHBondContact O-CD1 3.43Å; H307-L311 WeakPolarHBondContact O-CG 3.27Å; H307-L311 PolarHBondContact O-N 2.91Å; H307-L319 WeakPolarHBondContact NE2-CD2 3.45Å |
| 308 | L | 67.3 | Low | 61.3 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.9 | -30.2 | 172.7 | -76.9 | 166.4 | 0 | 0 | 0 | 112.3 | E304 L311 K312 | E304-L308 HydrophobicContact CG-CD1 4.21Å; E304-L308 WeakPolarHBondContact O-CA 3.48Å; E304-L308 WeakPolarHBondContact O-CB 3.35Å; E304-L308 WeakPolarHBondContact O-CD1 3.33Å; E304-L308 WeakPolarHBondContact O-CG 3.32Å; E304-L308 PolarHBondContact O-N 3.42Å; L308-L311 HydrophobicContact CD2-CD1 4.3Å; L308-K312 VanDerWaalsContact O-CB 3.27Å; L308-K312 WeakPolarHBondContact O-CB 3.45Å; L308-K312 VanDerWaalsContact O-CG 3.29Å; L308-K312 WeakPolarHBondContact O-CG 3.34Å; L308-K312 PolarHBondContact O-N 3.17Å |
| 309 | R | 67.8 | Low | 62 | Low | 172 Ų | 172 | 97.9 Ų | 97.9 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.4 | -41.2 | 170.3 | -84 | 174.4 | 176.6 | 176 | 0.4 | 110.6 | V305 A306 K312 L313 | V305-R309 HydrophobicContact CG1-CG 4.22Å; V305-R309 WeakPolarHBondContact O-CA 3.48Å; V305-R309 WeakPolarHBondContact O-CB 3.48Å; V305-R309 WeakPolarHBondContact O-CG 3.49Å; V305-R309 PolarHBondContact O-N 3.37Å; A306-R309 PolarHBondContact O-N 3.41Å; R309-K312 PolarHBondContact O-N 3.41Å; R309-L313 WeakPolarHBondContact O-CB 3.45Å; R309-L313 VanDerWaalsContact O-CG 3.26Å; R309-L313 WeakPolarHBondContact O-CG 3.49Å; R309-L313 PolarHBondContact O-N 3.44Å |
| 310 | L | 66.3 | Low | 63 | Low | 78 Ų | 78 | 98.7 Ų | 98.7 | 41% | 0.408 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 172.8 | -72.2 | 167.3 | 0 | 0 | 0 | 111 | A306 H307 K312 L313 A314 L319 L322 | A306-L310 WeakPolarHBondContact O-CB 3.49Å; A306-L310 WeakPolarHBondContact O-CG 3.34Å; A306-L310 PolarHBondContact O-N 2.92Å; H307-L310 PolarHBondContact O-N 3.31Å; L310-K312 VanDerWaalsContact C-N 3.35Å; L310-K312 PolarHBondContact O-N 3.5Å; L310-L313 PolarHBondContact O-N 3.41Å; L310-A314 VanDerWaalsContact O-CB 3.23Å; L310-A314 WeakPolarHBondContact O-CB 3.49Å; L310-A314 PolarHBondContact O-N 3.12Å; L310-L319 HydrophobicContact CB-CD1 3.63Å; L310-L319 HydrophobicContact CD1-CD1 4.31Å; L310-L322 HydrophobicContact CB-CD2 4.23Å; L310-L322 HydrophobicContact CD2-CD2 3.9Å |
| 311 | L | 66.9 | Low | 64.3 | Low | 52 Ų | 52 | 94.3 Ų | 94.3 | 27% | 0.272 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -31.3 | 170.9 | -85.3 | 160.8 | 0 | 0 | 0 | 113.4 | H307 L308 G317 | H307-L311 VanDerWaalsContact ND1-CD1 3.32Å; H307-L311 WeakPolarHBondContact ND1-CD1 3.31Å; H307-L311 VanDerWaalsContact O-CB 3.28Å; H307-L311 WeakPolarHBondContact O-CB 3.41Å; H307-L311 WeakPolarHBondContact O-CD1 3.43Å; H307-L311 WeakPolarHBondContact O-CG 3.27Å; H307-L311 PolarHBondContact O-N 2.91Å; L308-L311 HydrophobicContact CD2-CD1 4.3Å; L311-G317 WeakPolarHBondContact CD2-O 3.37Å |
| 312 | K | 67.1 | Low | 65.4 | Low | 177 Ų | 177 | 93.1 Ų | 93.1 | 77% | 0.77 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -78 | -29.4 | 174.3 | -84.7 | 178.4 | 177.8 | 177.2 | 0 | 113.1 | L308 R309 L310 | L308-K312 VanDerWaalsContact O-CB 3.27Å; L308-K312 WeakPolarHBondContact O-CB 3.45Å; L308-K312 VanDerWaalsContact O-CG 3.29Å; L308-K312 WeakPolarHBondContact O-CG 3.34Å; L308-K312 PolarHBondContact O-N 3.17Å; R309-K312 PolarHBondContact O-N 3.41Å; L310-K312 VanDerWaalsContact C-N 3.35Å; L310-K312 PolarHBondContact O-N 3.5Å |
| 313 | L | 63.7 | Low | 66.5 | Low | 132 Ų | 132 | 93.8 Ų | 93.8 | 69% | 0.691 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -80.6 | -27.7 | 173.6 | -73 | 168.1 | 0 | 0 | 0 | 111.5 | R309 L310 E315 | R309-L313 WeakPolarHBondContact O-CB 3.45Å; R309-L313 VanDerWaalsContact O-CG 3.26Å; R309-L313 WeakPolarHBondContact O-CG 3.49Å; R309-L313 PolarHBondContact O-N 3.44Å; L310-L313 PolarHBondContact O-N 3.41Å; L313-E315 PolarHBondContact O-N 3.5Å |
| 314 | A | 61.1 | Low | 67.7 | Low | 7 Ų | 7 | 90.8 Ų | 90.8 | 6% | 0.058 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -76.4 | 92.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | L310 S316 G317 L322 | L310-A314 VanDerWaalsContact O-CB 3.23Å; L310-A314 WeakPolarHBondContact O-CB 3.49Å; L310-A314 PolarHBondContact O-N 3.12Å; A314-S316 PolarHBondContact O-N 3.04Å; A314-G317 PolarHBondContact O-N 3.16Å; A314-L322 HydrophobicContact CB-CB 4.28Å; A314-L322 HydrophobicContact CB-CD2 4.27Å |
| 315 | E | 59.8 | Low | 68.7 | Low | 204 Ų | 204 | 89.9 Ų | 89.9 | 95% | 0.953 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -17.2 | 177 | -67.2 | 179.6 | 162.7 | 0 | 0 | 113.4 | L313 | L313-E315 PolarHBondContact O-N 3.5Š|
| 316 | S | 57.1 | Low | 69.6 | Low | 69 Ų | 69 | 93.6 Ų | 93.6 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -0.6 | 179.2 | 62 | 0 | 0 | 0 | 0 | 116.1 | A314 N318 Q321 | A314-S316 PolarHBondContact O-N 3.04Å; S316-N318 PolarHBondContact O-N 3.07Å; S316-N318 VanDerWaalsContact O-N 3.15Å; S316-Q321 PolarHBondContact OG-OE1 3.03Å |
| 317 | G | 60.6 | Low | 70.6 | Confident | 43 Ų | 43 | 95.5 Ų | 95.5 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 69.1 | 7.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | L311 A314 | L311-G317 WeakPolarHBondContact CD2-O 3.37Å; A314-G317 PolarHBondContact O-N 3.16Å |
| 318 | N | 71.9 | Confident | 71.7 | Confident | 86 Ų | 86 | 92.9 Ų | 92.9 | 46% | 0.46 | 47% | 0.473 | S | S | . | . | trans | -116.3 | 112.7 | 178.5 | -71.9 | -40.2 | 0 | 0 | 0 | 111.3 | S316 N320 Q321 L322 | S316-N318 PolarHBondContact O-N 3.07Å; S316-N318 VanDerWaalsContact O-N 3.15Å; N318-N320 VanDerWaalsContact C-N 3.34Å; N318-N320 PolarHBondContact O-N 3.06Å; N318-Q321 HydrophobicContact CB-CB 4.24Å; N318-Q321 HydrophobicContact CB-CG 4.1Å; N318-Q321 PolarHBondContact O-N 3.37Å; N318-L322 PolarHBondContact O-N 3.44Å | ||
| 319 | L | 68 | Low | 72.6 | Confident | 37 Ų | 37 | 95.4 Ų | 95.4 | 19% | 0.194 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -64.6 | -36.1 | -178.4 | -165 | 82.5 | 0 | 0 | 0 | 112.8 | H307 L310 Q321 L322 I323 | H307-L319 WeakPolarHBondContact NE2-CD2 3.45Å; L310-L319 HydrophobicContact CB-CD1 3.63Å; L310-L319 HydrophobicContact CD1-CD1 4.31Å; L319-Q321 VanDerWaalsContact C-N 3.3Å; L319-Q321 PolarHBondContact O-N 2.86Å; L319-L322 PolarHBondContact O-N 2.97Å; L319-L322 VanDerWaalsContact O-N 3.16Å; L319-I323 HydrophobicContact CD2-CD1 4.27Å; L319-I323 HydrophobicContact CG-CD1 4.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.4Å; L319-I323 PolarHBondContact O-N 3.13Å |
| 320 | N | 75.4 | Confident | 73.6 | Confident | 118 Ų | 118 | 92.1 Ų | 92.1 | 63% | 0.631 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.1 | -37 | -179.9 | -65 | -17.6 | 0 | 0 | 0 | 111.9 | N318 I323 E324 | N318-N320 VanDerWaalsContact C-N 3.34Å; N318-N320 PolarHBondContact O-N 3.06Å; N320-I323 PolarHBondContact O-N 3.48Å; N320-E324 WeakPolarHBondContact O-CG 3.39Å; N320-E324 PolarHBondContact O-N 3.38Å |
| 321 | Q | 76.1 | Confident | 74.5 | Confident | 86 Ų | 86 | 95 Ų | 95 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 175.6 | -72.9 | 177.8 | -15.4 | 0 | 0 | 111.9 | S316 N318 L319 E324 D325 | S316-Q321 PolarHBondContact OG-OE1 3.03Å; N318-Q321 HydrophobicContact CB-CB 4.24Å; N318-Q321 HydrophobicContact CB-CG 4.1Å; N318-Q321 PolarHBondContact O-N 3.37Å; L319-Q321 VanDerWaalsContact C-N 3.3Å; L319-Q321 PolarHBondContact O-N 2.86Å; Q321-E324 PolarHBondContact O-N 2.87Å; Q321-D325 WeakPolarHBondContact O-CB 3.43Å; Q321-D325 VanDerWaalsContact O-CG 3.31Å; Q321-D325 PolarHBondContact O-N 3.18Å |
| 322 | L | 76.8 | Confident | 75.6 | Confident | 46 Ų | 46 | 99 Ų | 99 | 24% | 0.241 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 175.6 | -176.2 | 68.1 | 0 | 0 | 0 | 112 | L310 A314 N318 L319 D325 F326 | L310-L322 HydrophobicContact CB-CD2 4.23Å; L310-L322 HydrophobicContact CD2-CD2 3.9Å; A314-L322 HydrophobicContact CB-CB 4.28Å; A314-L322 HydrophobicContact CB-CD2 4.27Å; N318-L322 PolarHBondContact O-N 3.44Å; L319-L322 PolarHBondContact O-N 2.97Å; L319-L322 VanDerWaalsContact O-N 3.16Å; L322-D325 PolarHBondContact O-N 2.98Å; L322-F326 VanDerWaalsContact O-CB 3.3Å; L322-F326 WeakPolarHBondContact O-CB 3.43Å; L322-F326 PolarHBondContact O-N 2.98Å |
| 323 | I | 79.6 | Confident | 76.6 | Confident | 84 Ų | 84 | 95.8 Ų | 95.8 | 43% | 0.431 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.4 | -43.9 | 175.4 | -65.6 | 168.9 | 0 | 0 | 0 | 110.1 | L319 N320 D325 F326 L327 | L319-I323 HydrophobicContact CD2-CD1 4.27Å; L319-I323 HydrophobicContact CG-CD1 4.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.4Å; L319-I323 PolarHBondContact O-N 3.13Å; N320-I323 PolarHBondContact O-N 3.48Å; I323-D325 VanDerWaalsContact C-N 3.35Å; I323-D325 PolarHBondContact O-N 3.42Å; I323-F326 PolarHBondContact O-N 2.86Å; I323-L327 HydrophobicContact CG2-CD1 4Å; I323-L327 HydrophobicContact CG2-CG 4.36Å; I323-L327 WeakPolarHBondContact O-CB 3.42Å; I323-L327 WeakPolarHBondContact O-CG 3.3Å; I323-L327 PolarHBondContact O-N 2.75Å |
| 324 | E | 82.3 | Confident | 77.9 | Confident | 130 Ų | 130 | 96.5 Ų | 96.5 | 61% | 0.607 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 173.3 | -76.7 | 176.9 | -177.9 | 0 | 0 | 111.7 | N320 Q321 F326 L327 A328 | N320-E324 WeakPolarHBondContact O-CG 3.39Å; N320-E324 PolarHBondContact O-N 3.38Å; Q321-E324 PolarHBondContact O-N 2.87Å; E324-F326 VanDerWaalsContact C-N 3.33Å; E324-F326 PolarHBondContact O-N 3.24Å; E324-L327 PolarHBondContact O-N 3.15Å; E324-A328 VanDerWaalsContact O-CB 3.24Å; E324-A328 WeakPolarHBondContact O-CB 3.31Å; E324-A328 PolarHBondContact O-N 2.86Å |
| 325 | D | 81 | Confident | 79.3 | Confident | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 175.2 | -79.9 | -19.3 | 0 | 0 | 0 | 112.5 | Q321 L322 I323 K329 | Q321-D325 WeakPolarHBondContact O-CB 3.43Å; Q321-D325 VanDerWaalsContact O-CG 3.31Å; Q321-D325 PolarHBondContact O-N 3.18Å; L322-D325 PolarHBondContact O-N 2.98Å; I323-D325 VanDerWaalsContact C-N 3.35Å; I323-D325 PolarHBondContact O-N 3.42Å; D325-K329 WeakPolarHBondContact O-CB 3.49Å; D325-K329 WeakPolarHBondContact O-CD 3.39Å; D325-K329 WeakPolarHBondContact O-CG 3.32Å; D325-K329 PolarHBondContact O-N 3.32Å |
| 326 | F | 83.9 | Confident | 80.8 | Confident | 132 Ų | 132 | 97.6 Ų | 97.6 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.3 | -46.3 | 175.9 | -175.9 | -91.8 | 0 | 0 | 0 | 111.1 | L322 I323 E324 A328 K329 E330 | L322-F326 VanDerWaalsContact O-CB 3.3Å; L322-F326 WeakPolarHBondContact O-CB 3.43Å; L322-F326 PolarHBondContact O-N 2.98Å; I323-F326 PolarHBondContact O-N 2.86Å; E324-F326 VanDerWaalsContact C-N 3.33Å; E324-F326 PolarHBondContact O-N 3.24Å; F326-A328 VanDerWaalsContact C-N 3.35Å; F326-A328 PolarHBondContact O-N 3.46Å; F326-K329 CarbonylContact O-C 3.52Å; F326-K329 WeakPolarHBondContact O-CB 3.34Å; F326-K329 PolarHBondContact O-N 3.4Å; F326-K329 VanDerWaalsContact O-N 3.13Å; F326-E330 WeakPolarHBondContact O-CB 3.36Å; F326-E330 PolarHBondContact O-N 2.95Å |
| 327 | L | 85.8 | Confident | 82.5 | Confident | 84 Ų | 84 | 101 Ų | 101 | 44% | 0.44 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.4 | -73.1 | 172.1 | 0 | 0 | 0 | 110.7 | I323 E324 K329 E330 E331 | I323-L327 HydrophobicContact CG2-CD1 4Å; I323-L327 HydrophobicContact CG2-CG 4.36Å; I323-L327 WeakPolarHBondContact O-CB 3.42Å; I323-L327 WeakPolarHBondContact O-CG 3.3Å; I323-L327 PolarHBondContact O-N 2.75Å; E324-L327 PolarHBondContact O-N 3.15Å; L327-K329 VanDerWaalsContact C-N 3.29Å; L327-K329 PolarHBondContact O-N 2.98Å; L327-E330 CarbonylContact O-C 3.58Å; L327-E330 PolarHBondContact O-N 3.5Å; L327-E330 VanDerWaalsContact O-N 3.12Å; L327-E331 WeakPolarHBondContact O-CB 3.41Å; L327-E331 WeakPolarHBondContact O-CG 3.39Å; L327-E331 PolarHBondContact O-N 3.47Å |
| 328 | A | 87.3 | Confident | 84 | Confident | 34 Ų | 34 | 101.3 Ų | 101.3 | 28% | 0.281 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -33.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E324 F326 K332 | E324-A328 VanDerWaalsContact O-CB 3.24Å; E324-A328 WeakPolarHBondContact O-CB 3.31Å; E324-A328 PolarHBondContact O-N 2.86Å; F326-A328 VanDerWaalsContact C-N 3.35Å; F326-A328 PolarHBondContact O-N 3.46Å; A328-K332 WeakPolarHBondContact O-CB 3.4Å; A328-K332 WeakPolarHBondContact O-CD 3.43Å; A328-K332 WeakPolarHBondContact O-CG 3.36Å; A328-K332 PolarHBondContact O-N 3.45Å; A328-K332 VanDerWaalsContact O-N 3.15Å |
| 329 | K | 86.2 | Confident | 85.1 | Confident | 140 Ų | 140 | 103.8 Ų | 103.8 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72.1 | -37.2 | 172.1 | -77.9 | 169.4 | -176.6 | 167.8 | 0 | 111.7 | D325 F326 L327 K332 N333 | D325-K329 WeakPolarHBondContact O-CB 3.49Å; D325-K329 WeakPolarHBondContact O-CD 3.39Å; D325-K329 WeakPolarHBondContact O-CG 3.32Å; D325-K329 PolarHBondContact O-N 3.32Å; F326-K329 CarbonylContact O-C 3.52Å; F326-K329 WeakPolarHBondContact O-CB 3.34Å; F326-K329 PolarHBondContact O-N 3.4Å; F326-K329 VanDerWaalsContact O-N 3.13Å; L327-K329 VanDerWaalsContact C-N 3.29Å; L327-K329 PolarHBondContact O-N 2.98Å; K329-K332 PolarHBondContact O-N 2.94Å; K329-N333 VanDerWaalsContact O-CB 3.3Å; K329-N333 WeakPolarHBondContact O-CB 3.48Å; K329-N333 PolarHBondContact O-N 3.4Å |
| 330 | E | 88.1 | Confident | 86.4 | Confident | 103 Ų | 103 | 106.3 Ų | 106.3 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -44.2 | 177.4 | -171.3 | 177.1 | -167.6 | 0 | 0 | 111 | F326 L327 K332 N333 F334 | F326-E330 WeakPolarHBondContact O-CB 3.36Å; F326-E330 PolarHBondContact O-N 2.95Å; L327-E330 CarbonylContact O-C 3.58Å; L327-E330 PolarHBondContact O-N 3.5Å; L327-E330 VanDerWaalsContact O-N 3.12Å; E330-K332 PolarHBondContact O-N 2.92Å; E330-N333 CarbonylContact O-C 3.52Å; E330-N333 WeakPolarHBondContact O-CA 3.49Å; E330-N333 WeakPolarHBondContact O-CB 3.42Å; E330-N333 PolarHBondContact O-N 2.92Å; E330-F334 WeakPolarHBondContact O-CB 3.46Å; E330-F334 PolarHBondContact O-N 2.87Å |
| 331 | E | 86.1 | Confident | 87.2 | Confident | 140 Ų | 140 | 103.4 Ų | 103.4 | 65% | 0.654 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.2 | -45.2 | 171.9 | -74.5 | 177.9 | 177.4 | 0 | 0 | 111.4 | L327 N333 F334 A335 | L327-E331 WeakPolarHBondContact O-CB 3.41Å; L327-E331 WeakPolarHBondContact O-CG 3.39Å; L327-E331 PolarHBondContact O-N 3.47Å; E331-N333 VanDerWaalsContact C-N 3.27Å; E331-N333 PolarHBondContact O-N 3.15Å; E331-F334 PolarHBondContact O-N 3.45Å; E331-A335 WeakPolarHBondContact O-CB 3.35Å; E331-A335 PolarHBondContact O-N 3Å |
| 332 | K | 88.8 | Confident | 88.1 | Confident | 136 Ų | 136 | 104.5 Ų | 104.5 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -36.1 | 173.3 | -75.9 | 170.2 | -174 | 171.5 | 0 | 111.9 | A328 K329 E330 R336 | A328-K332 WeakPolarHBondContact O-CB 3.4Å; A328-K332 WeakPolarHBondContact O-CD 3.43Å; A328-K332 WeakPolarHBondContact O-CG 3.36Å; A328-K332 PolarHBondContact O-N 3.45Å; A328-K332 VanDerWaalsContact O-N 3.15Å; K329-K332 PolarHBondContact O-N 2.94Å; E330-K332 PolarHBondContact O-N 2.92Å; K332-R336 VanDerWaalsContact O-CG 3.23Å; K332-R336 WeakPolarHBondContact O-CG 3.37Å; K332-R336 PolarHBondContact O-N 2.75Å; K332-R336 VanDerWaalsContact O-N 3.08Å |
| 333 | N | 89.5 | Confident | 88.9 | Confident | 108 Ų | 108 | 105.8 Ų | 105.8 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.2 | -39.5 | 178.6 | -159.9 | 13.7 | 0 | 0 | 0 | 111.4 | K329 E330 E331 R336 F337 | K329-N333 VanDerWaalsContact O-CB 3.3Å; K329-N333 WeakPolarHBondContact O-CB 3.48Å; K329-N333 PolarHBondContact O-N 3.4Å; E330-N333 CarbonylContact O-C 3.52Å; E330-N333 WeakPolarHBondContact O-CA 3.49Å; E330-N333 WeakPolarHBondContact O-CB 3.42Å; E330-N333 PolarHBondContact O-N 2.92Å; E331-N333 VanDerWaalsContact C-N 3.27Å; E331-N333 PolarHBondContact O-N 3.15Å; N333-R336 WeakPolarHBondContact O-CB 3.37Å; N333-R336 PolarHBondContact O-N 2.94Å; N333-F337 WeakPolarHBondContact O-CB 3.49Å; N333-F337 PolarHBondContact O-N 3.39Å |
| 334 | F | 90.3 | Very high | 89.6 | Confident | 147 Ų | 147 | 106.5 Ų | 106.5 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -47.4 | 174.1 | -172.4 | -97.5 | 0 | 0 | 0 | 110.8 | E330 E331 R336 F337 T338 | E330-F334 WeakPolarHBondContact O-CB 3.46Å; E330-F334 PolarHBondContact O-N 2.87Å; E331-F334 PolarHBondContact O-N 3.45Å; F334-R336 VanDerWaalsContact C-N 3.27Å; F334-R336 PolarHBondContact O-N 3.39Å; F334-F337 WeakPolarHBondContact O-CB 3.46Å; F334-F337 PolarHBondContact O-N 3.04Å; F334-T338 PolarHBondContact O-N 3.12Å; F334-T338 PolarHBondContact O-OG1 3.47Å; F334-T338 VanDerWaalsContact O-OG1 3.07Å |
| 335 | A | 91.2 | Very high | 90.2 | Very high | 59 Ų | 59 | 104.6 Ų | 104.6 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E331 Y339 | E331-A335 WeakPolarHBondContact O-CB 3.35Å; E331-A335 PolarHBondContact O-N 3Å; A335-Y339 WeakPolarHBondContact O-CB 3.35Å; A335-Y339 PolarHBondContact O-N 3.36Å |
| 336 | R | 90.5 | Very high | 90.9 | Very high | 176 Ų | 176 | 104.2 Ų | 104.2 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 173.4 | -75.1 | 171.4 | -177.3 | -158.3 | 0.1 | 112.1 | K332 N333 F334 Y339 V340 | K332-R336 VanDerWaalsContact O-CG 3.23Å; K332-R336 WeakPolarHBondContact O-CG 3.37Å; K332-R336 PolarHBondContact O-N 2.75Å; K332-R336 VanDerWaalsContact O-N 3.08Å; N333-R336 WeakPolarHBondContact O-CB 3.37Å; N333-R336 PolarHBondContact O-N 2.94Å; F334-R336 VanDerWaalsContact C-N 3.27Å; F334-R336 PolarHBondContact O-N 3.39Å; R336-Y339 PolarHBondContact O-N 3.15Å; R336-V340 WeakPolarHBondContact O-CB 3.49Å; R336-V340 VanDerWaalsContact O-CG2 3.26Å; R336-V340 WeakPolarHBondContact O-CG2 3.42Å; R336-V340 PolarHBondContact O-N 3.41Å |
| 337 | F | 92.8 | Very high | 91.3 | Very high | 139 Ų | 139 | 102.9 Ų | 102.9 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 178.6 | -173.4 | -93.2 | 0 | 0 | 0 | 111.8 | N333 F334 V340 T341 | N333-F337 WeakPolarHBondContact O-CB 3.49Å; N333-F337 PolarHBondContact O-N 3.39Å; F334-F337 WeakPolarHBondContact O-CB 3.46Å; F334-F337 PolarHBondContact O-N 3.04Å; F337-V340 PolarHBondContact O-N 3.24Å; F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 3.37Å; F337-T341 PolarHBondContact O-OG1 2.88Å |
| 338 | T | 92.4 | Very high | 91.8 | Very high | 50 Ų | 50 | 103.5 Ų | 103.5 | 31% | 0.307 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 172.6 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | F334 V340 T341 E342 | F334-T338 PolarHBondContact O-N 3.12Å; F334-T338 PolarHBondContact O-OG1 3.47Å; F334-T338 VanDerWaalsContact O-OG1 3.07Å; T338-V340 PolarHBondContact O-N 3.43Å; T338-T341 WeakPolarHBondContact O-CB 3.45Å; T338-T341 PolarHBondContact O-N 3.13Å; T338-T341 VanDerWaalsContact O-N 3.09Å; T338-E342 WeakPolarHBondContact O-CG 3.31Å; T338-E342 PolarHBondContact O-N 3.47Å |
| 339 | Y | 94.7 | Very high | 92.1 | Very high | 139 Ų | 139 | 105.9 Ų | 105.9 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 177.7 | -179.7 | -112.7 | 0 | 0 | 0 | 113 | A335 R336 T341 E342 L343 | A335-Y339 WeakPolarHBondContact O-CB 3.35Å; A335-Y339 PolarHBondContact O-N 3.36Å; R336-Y339 PolarHBondContact O-N 3.15Å; Y339-T341 VanDerWaalsContact C-N 3.29Å; Y339-T341 PolarHBondContact O-N 3.19Å; Y339-E342 PolarHBondContact O-N 3.06Å; Y339-L343 HydrophobicContact CD1-CD1 3.86Å; Y339-L343 HydrophobicContact CD1-CG 4.43Å; Y339-L343 HydrophobicContact CE1-CD1 3.3Å; Y339-L343 HydrophobicContact CE1-CG 4.02Å; Y339-L343 HydrophobicContact CE2-CD1 4.28Å; Y339-L343 HydrophobicContact CE2-CD2 4.4Å; Y339-L343 HydrophobicContact CE2-CG 4.09Å; Y339-L343 WeakPolarHBondContact O-CB 3.36Å; Y339-L343 WeakPolarHBondContact O-CG 3.41Å; Y339-L343 PolarHBondContact O-N 2.94Å |
| 340 | V | 95.3 | Very high | 92.4 | Very high | 89 Ų | 89 | 104.1 Ų | 104.1 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 174.6 | 168.7 | 0 | 0 | 0 | 0 | 111 | R336 F337 T338 L343 N344 | R336-V340 WeakPolarHBondContact O-CB 3.49Å; R336-V340 VanDerWaalsContact O-CG2 3.26Å; R336-V340 WeakPolarHBondContact O-CG2 3.42Å; R336-V340 PolarHBondContact O-N 3.41Å; F337-V340 PolarHBondContact O-N 3.24Å; T338-V340 PolarHBondContact O-N 3.43Å; V340-L343 PolarHBondContact O-N 3.34Å; V340-N344 WeakPolarHBondContact O-CB 3.45Å; V340-N344 PolarHBondContact O-N 2.78Å |
| 341 | T | 93 | Very high | 92.7 | Very high | 58 Ų | 58 | 104.7 Ų | 104.7 | 36% | 0.356 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 177.5 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | F337 T338 Y339 N344 N345 | F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 3.37Å; F337-T341 PolarHBondContact O-OG1 2.88Å; T338-T341 WeakPolarHBondContact O-CB 3.45Å; T338-T341 PolarHBondContact O-N 3.13Å; T338-T341 VanDerWaalsContact O-N 3.09Å; Y339-T341 VanDerWaalsContact C-N 3.29Å; Y339-T341 PolarHBondContact O-N 3.19Å; T341-N344 PolarHBondContact O-N 3.12Å; T341-N345 VanDerWaalsContact O-CG 3.31Å; T341-N345 PolarHBondContact O-N 3.36Å; T341-N345 PolarHBondContact O-ND2 3.21Å |
| 342 | E | 93.9 | Very high | 93.1 | Very high | 108 Ų | 108 | 102.6 Ų | 102.6 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 173.6 | -72.7 | 174.8 | 178.5 | 0 | 0 | 111.4 | T338 Y339 N344 N345 D346 | T338-E342 WeakPolarHBondContact O-CG 3.31Å; T338-E342 PolarHBondContact O-N 3.47Å; Y339-E342 PolarHBondContact O-N 3.06Å; E342-N344 VanDerWaalsContact C-N 3.27Å; E342-N344 PolarHBondContact O-N 3.03Å; E342-N345 WeakPolarHBondContact O-CB 3.4Å; E342-N345 PolarHBondContact O-N 3.26Å; E342-D346 PolarHBondContact O-N 2.94Å |
| 343 | L | 93.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 101.5 Ų | 101.5 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 175 | -79.4 | 179.2 | 0 | 0 | 0 | 112.5 | Y339 V340 D346 M347 | Y339-L343 HydrophobicContact CD1-CD1 3.86Å; Y339-L343 HydrophobicContact CD1-CG 4.43Å; Y339-L343 HydrophobicContact CE1-CD1 3.3Å; Y339-L343 HydrophobicContact CE1-CG 4.02Å; Y339-L343 HydrophobicContact CE2-CD1 4.28Å; Y339-L343 HydrophobicContact CE2-CD2 4.4Å; Y339-L343 HydrophobicContact CE2-CG 4.09Å; Y339-L343 WeakPolarHBondContact O-CB 3.36Å; Y339-L343 WeakPolarHBondContact O-CG 3.41Å; Y339-L343 PolarHBondContact O-N 2.94Å; V340-L343 PolarHBondContact O-N 3.34Å; L343-D346 PolarHBondContact O-N 2.84Å; L343-M347 WeakPolarHBondContact O-CB 3.46Å; L343-M347 PolarHBondContact O-N 3.39Å |
| 344 | N | 94.5 | Very high | 93.6 | Very high | 100 Ų | 100 | 99.6 Ų | 99.6 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 178.5 | -158.7 | 43.6 | 0 | 0 | 0 | 111.4 | V340 T341 E342 M347 E348 | V340-N344 WeakPolarHBondContact O-CB 3.45Å; V340-N344 PolarHBondContact O-N 2.78Å; T341-N344 PolarHBondContact O-N 3.12Å; E342-N344 VanDerWaalsContact C-N 3.27Å; E342-N344 PolarHBondContact O-N 3.03Å; N344-M347 WeakPolarHBondContact O-CB 3.38Å; N344-M347 PolarHBondContact O-N 2.84Å; N344-E348 PolarHBondContact O-N 3.43Å |
| 345 | N | 94.9 | Very high | 93.9 | Very high | 90 Ų | 90 | 98 Ų | 98 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 172.6 | -70.8 | -23.7 | 0 | 0 | 0 | 111.6 | T341 E342 M347 E348 M349 | T341-N345 VanDerWaalsContact O-CG 3.31Å; T341-N345 PolarHBondContact O-N 3.36Å; T341-N345 PolarHBondContact O-ND2 3.21Å; E342-N345 WeakPolarHBondContact O-CB 3.4Å; E342-N345 PolarHBondContact O-N 3.26Å; N345-M347 VanDerWaalsContact C-N 3.35Å; N345-E348 PolarHBondContact O-N 3.44Å; N345-M349 WeakPolarHBondContact O-CB 3.43Å; N345-M349 PolarHBondContact O-N 2.87Å |
| 346 | D | 95.1 | Very high | 94.1 | Very high | 84 Ų | 84 | 103.5 Ų | 103.5 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64 | -41 | 175.4 | -80.3 | -10.4 | 0 | 0 | 0 | 111.4 | E342 L343 M349 M350 | E342-D346 PolarHBondContact O-N 2.94Å; L343-D346 PolarHBondContact O-N 2.84Å; D346-M349 WeakPolarHBondContact O-CB 3.36Å; D346-M349 PolarHBondContact O-N 3.49Å; D346-M350 VanDerWaalsContact O-CG 3.3Å; D346-M350 WeakPolarHBondContact O-CG 3.28Å; D346-M350 PolarHBondContact O-N 3.18Å |
| 347 | M | 94.3 | Very high | 94.3 | Very high | 103 Ų | 103 | 99.7 Ų | 99.7 | 51% | 0.507 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.4 | -167.1 | -175.5 | -54.5 | 0 | 0 | 111.2 | L343 N344 N345 M349 M350 H351 | L343-M347 WeakPolarHBondContact O-CB 3.46Å; L343-M347 PolarHBondContact O-N 3.39Å; N344-M347 WeakPolarHBondContact O-CB 3.38Å; N344-M347 PolarHBondContact O-N 2.84Å; N345-M347 VanDerWaalsContact C-N 3.35Å; M347-M349 VanDerWaalsContact C-N 3.34Å; M347-M349 PolarHBondContact O-N 3.34Å; M347-M350 PolarHBondContact O-N 3.05Å; M347-H351 PolarHBondContact O-CD2 3.23Å; M347-H351 PolarHBondContact O-N 2.91Å |
| 348 | E | 94.4 | Very high | 94.3 | Very high | 98 Ų | 98 | 98.2 Ų | 98.2 | 46% | 0.458 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 176 | -163.5 | -171.6 | 156.1 | 0 | 0 | 111.6 | N344 N345 H351 K352 | N344-E348 PolarHBondContact O-N 3.43Å; N345-E348 PolarHBondContact O-N 3.44Å; E348-H351 PolarHBondContact O-N 3.34Å; E348-K352 WeakPolarHBondContact O-CG 3.48Å; E348-K352 PolarHBondContact O-N 3.29Å; E348-K352 WeakPolarHBondContact OE1-CE 3.4Å; E348-K352 IonicContact OE1-NZ 3.25Å; E348-K352 PolarHBondContact OE1-NZ 3.26Å |
| 349 | M | 94.8 | Very high | 94.5 | Very high | 83 Ų | 83 | 100.7 Ų | 100.7 | 41% | 0.409 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.4 | -166.9 | -168.2 | -55.9 | 0 | 0 | 111.5 | N345 D346 M347 K352 R353 | N345-M349 WeakPolarHBondContact O-CB 3.43Å; N345-M349 PolarHBondContact O-N 2.87Å; D346-M349 WeakPolarHBondContact O-CB 3.36Å; D346-M349 PolarHBondContact O-N 3.49Å; M347-M349 VanDerWaalsContact C-N 3.34Å; M347-M349 PolarHBondContact O-N 3.34Å; M349-K352 PolarHBondContact O-N 2.94Å; M349-R353 WeakPolarHBondContact O-CG 3.5Å; M349-R353 PolarHBondContact O-N 3.3Å; M349-R353 PolarHBondContact SD-NH2 3.33Å |
| 350 | M | 92.3 | Very high | 94.5 | Very high | 104 Ų | 104 | 99.6 Ų | 99.6 | 51% | 0.512 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 176.5 | -68.6 | -56.5 | 178.8 | 0 | 0 | 112 | D346 M347 R353 T354 | D346-M350 VanDerWaalsContact O-CG 3.3Å; D346-M350 WeakPolarHBondContact O-CG 3.28Å; D346-M350 PolarHBondContact O-N 3.18Å; M347-M350 PolarHBondContact O-N 3.05Å; M350-R353 VanDerWaalsContact CE-NH1 3.32Å; M350-R353 PolarHBondContact O-N 2.89Å; M350-R353 PolarHBondContact SD-NH1 3.4Å; M350-R353 VanDerWaalsContact SD-NH1 3.45Å; M350-T354 WeakPolarHBondContact O-CB 3.33Å; M350-T354 PolarHBondContact O-N 3.41Å; M350-T354 PolarHBondContact O-OG1 3.23Å |
| 351 | H | 93.9 | Very high | 94.4 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -45 | 172.8 | -81.4 | -57.2 | 0 | 0 | 0 | 112.1 | M347 E348 R353 T354 Q355 | M347-H351 PolarHBondContact O-CD2 3.23Å; M347-H351 PolarHBondContact O-N 2.91Å; E348-H351 PolarHBondContact O-N 3.34Å; H351-R353 VanDerWaalsContact C-N 3.34Å; H351-R353 PolarHBondContact O-N 2.84Å; H351-T354 WeakPolarHBondContact O-CB 3.31Å; H351-T354 PolarHBondContact O-N 2.96Å; H351-Q355 PolarHBondContact O-N 3.01Å |
| 352 | K | 95.1 | Very high | 94.5 | Very high | 96 Ų | 96 | 101.2 Ų | 101.2 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 174.8 | -74.3 | 173.6 | -176 | 164.4 | 0 | 112 | E348 M349 Q355 R356 | E348-K352 WeakPolarHBondContact O-CG 3.48Å; E348-K352 PolarHBondContact O-N 3.29Å; E348-K352 WeakPolarHBondContact OE1-CE 3.4Å; E348-K352 IonicContact OE1-NZ 3.25Å; E348-K352 PolarHBondContact OE1-NZ 3.26Å; M349-K352 PolarHBondContact O-N 2.94Å; K352-Q355 PolarHBondContact O-N 2.91Å; K352-R356 VanDerWaalsContact O-CG 3.3Å; K352-R356 WeakPolarHBondContact O-CG 3.42Å; K352-R356 PolarHBondContact O-N 2.7Å |
| 353 | R | 95 | Very high | 94.6 | Very high | 114 Ų | 114 | 101.3 Ų | 101.3 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.2 | -74.9 | 175.7 | -179.9 | 153.8 | 0.1 | 111.6 | M349 M350 H351 Q355 R356 I357 | M349-R353 WeakPolarHBondContact O-CG 3.5Å; M349-R353 PolarHBondContact O-N 3.3Å; M349-R353 PolarHBondContact SD-NH2 3.33Å; M350-R353 VanDerWaalsContact CE-NH1 3.32Å; M350-R353 PolarHBondContact O-N 2.89Å; M350-R353 PolarHBondContact SD-NH1 3.4Å; M350-R353 VanDerWaalsContact SD-NH1 3.45Å; H351-R353 VanDerWaalsContact C-N 3.34Å; H351-R353 PolarHBondContact O-N 2.84Å; R353-Q355 PolarHBondContact O-N 3.49Å; R353-R356 PolarHBondContact O-N 2.98Å; R353-I357 WeakPolarHBondContact O-CG1 3.39Å; R353-I357 PolarHBondContact O-N 3.48Å |
| 354 | T | 93.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 102.3 Ų | 102.3 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 111 | M350 H351 I357 Q358 | M350-T354 WeakPolarHBondContact O-CB 3.33Å; M350-T354 PolarHBondContact O-N 3.41Å; M350-T354 PolarHBondContact O-OG1 3.23Å; H351-T354 WeakPolarHBondContact O-CB 3.31Å; H351-T354 PolarHBondContact O-N 2.96Å; T354-I357 PolarHBondContact O-N 2.93Å; T354-Q358 WeakPolarHBondContact O-CB 3.5Å; T354-Q358 VanDerWaalsContact O-CG 3.3Å; T354-Q358 WeakPolarHBondContact O-CG 3.48Å; T354-Q358 PolarHBondContact O-N 3.17Å |
| 355 | Q | 95.8 | Very high | 94.6 | Very high | 115 Ų | 115 | 105.9 Ų | 105.9 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 174.4 | -77.5 | 176.6 | -16.1 | 0 | 0 | 111.8 | H351 K352 R353 I357 Q358 D359 | H351-Q355 PolarHBondContact O-N 3.01Å; K352-Q355 PolarHBondContact O-N 2.91Å; R353-Q355 PolarHBondContact O-N 3.49Å; Q355-I357 VanDerWaalsContact C-N 3.3Å; Q355-I357 PolarHBondContact O-N 3.23Å; Q355-Q358 WeakPolarHBondContact O-CB 3.45Å; Q355-Q358 PolarHBondContact O-N 3.02Å; Q355-Q358 VanDerWaalsContact O-N 3.07Å; Q355-D359 VanDerWaalsContact O-CG 3.28Å; Q355-D359 PolarHBondContact O-N 3.31Å |
| 356 | R | 95.5 | Very high | 94.4 | Very high | 174 Ų | 174 | 104.7 Ų | 104.7 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.2 | -43.6 | 176.6 | -71 | 173.1 | -168.5 | -178.3 | 2.7 | 112.4 | K352 R353 Q358 D359 E360 | K352-R356 VanDerWaalsContact O-CG 3.3Å; K352-R356 WeakPolarHBondContact O-CG 3.42Å; K352-R356 PolarHBondContact O-N 2.7Å; R353-R356 PolarHBondContact O-N 2.98Å; R356-Q358 VanDerWaalsContact C-N 3.35Å; R356-D359 PolarHBondContact O-N 3.45Å; R356-E360 WeakPolarHBondContact O-CB 3.5Å; R356-E360 PolarHBondContact O-N 2.87Å |
| 357 | I | 94.3 | Very high | 94.4 | Very high | 95 Ų | 95 | 106.4 Ų | 106.4 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 177.2 | -67.5 | 167.3 | 0 | 0 | 0 | 110.5 | R353 T354 Q355 E360 I361 | R353-I357 WeakPolarHBondContact O-CG1 3.39Å; R353-I357 PolarHBondContact O-N 3.48Å; T354-I357 PolarHBondContact O-N 2.93Å; Q355-I357 VanDerWaalsContact C-N 3.3Å; Q355-I357 PolarHBondContact O-N 3.23Å; I357-E360 PolarHBondContact O-N 2.98Å; I357-I361 HydrophobicContact CG2-CD1 3.9Å; I357-I361 HydrophobicContact CG2-CG1 4.45Å; I357-I361 WeakPolarHBondContact O-CB 3.38Å; I357-I361 VanDerWaalsContact O-CG1 3.22Å; I357-I361 WeakPolarHBondContact O-CG1 3.39Å; I357-I361 PolarHBondContact O-N 3.41Å |
| 358 | Q | 94.6 | Very high | 94.2 | Very high | 108 Ų | 108 | 108.2 Ų | 108.2 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 175.5 | -74.9 | 174.1 | -8.4 | 0 | 0 | 111.8 | T354 Q355 R356 E360 I361 I362 | T354-Q358 WeakPolarHBondContact O-CB 3.5Å; T354-Q358 VanDerWaalsContact O-CG 3.3Å; T354-Q358 WeakPolarHBondContact O-CG 3.48Å; T354-Q358 PolarHBondContact O-N 3.17Å; Q355-Q358 WeakPolarHBondContact O-CB 3.45Å; Q355-Q358 PolarHBondContact O-N 3.02Å; Q355-Q358 VanDerWaalsContact O-N 3.07Å; R356-Q358 VanDerWaalsContact C-N 3.35Å; Q358-E360 VanDerWaalsContact C-N 3.34Å; Q358-I361 PolarHBondContact O-N 2.83Å; Q358-I362 VanDerWaalsContact O-CG1 3.32Å; Q358-I362 WeakPolarHBondContact O-CG1 3.47Å; Q358-I362 PolarHBondContact O-N 3.37Å |
| 359 | D | 95.3 | Very high | 94.1 | Very high | 103 Ų | 103 | 108.8 Ų | 108.8 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 176.7 | -65.9 | -24.5 | 0 | 0 | 0 | 111.3 | Q355 R356 I362 L363 | Q355-D359 VanDerWaalsContact O-CG 3.28Å; Q355-D359 PolarHBondContact O-N 3.31Å; R356-D359 PolarHBondContact O-N 3.45Å; D359-I362 PolarHBondContact O-N 2.73Å; D359-L363 WeakPolarHBondContact O-CB 3.45Å; D359-L363 PolarHBondContact O-N 3.17Å |
| 360 | E | 95.4 | Very high | 94 | Very high | 116 Ų | 116 | 107.5 Ų | 107.5 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175 | -171.4 | 175.7 | -170.5 | 0 | 0 | 111.7 | R356 I357 Q358 I362 L363 L364 | R356-E360 WeakPolarHBondContact O-CB 3.5Å; R356-E360 PolarHBondContact O-N 2.87Å; I357-E360 PolarHBondContact O-N 2.98Å; Q358-E360 VanDerWaalsContact C-N 3.34Å; E360-I362 VanDerWaalsContact C-N 3.31Å; E360-I362 PolarHBondContact O-N 2.97Å; E360-L363 PolarHBondContact O-N 3.4Å; E360-L364 HydrophobicContact CG-CD1 4.16Å; E360-L364 HydrophobicContact CG-CG 4.49Å; E360-L364 WeakPolarHBondContact O-CB 3.26Å; E360-L364 VanDerWaalsContact O-CG 3.31Å; E360-L364 WeakPolarHBondContact O-CG 3.45Å; E360-L364 PolarHBondContact O-N 2.89Å |
| 361 | I | 93 | Very high | 93.8 | Very high | 73 Ų | 73 | 105.7 Ų | 105.7 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 173.8 | -71.4 | 165.4 | 0 | 0 | 0 | 110.8 | I357 Q358 R365 | I357-I361 HydrophobicContact CG2-CD1 3.9Å; I357-I361 HydrophobicContact CG2-CG1 4.45Å; I357-I361 WeakPolarHBondContact O-CB 3.38Å; I357-I361 VanDerWaalsContact O-CG1 3.22Å; I357-I361 WeakPolarHBondContact O-CG1 3.39Å; I357-I361 PolarHBondContact O-N 3.41Å; Q358-I361 PolarHBondContact O-N 2.83Å; I361-R365 HydrophobicContact CG2-CG 4.48Å; I361-R365 WeakPolarHBondContact O-CB 3.31Å; I361-R365 VanDerWaalsContact O-CG 3.23Å; I361-R365 WeakPolarHBondContact O-CG 3.36Å; I361-R365 PolarHBondContact O-N 3.49Å |
| 362 | I | 95.5 | Very high | 93.7 | Very high | 107 Ų | 107 | 105.5 Ų | 105.5 | 55% | 0.549 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 178 | -68.8 | 164.9 | 0 | 0 | 0 | 110.5 | Q358 D359 E360 R365 S366 | Q358-I362 VanDerWaalsContact O-CG1 3.32Å; Q358-I362 WeakPolarHBondContact O-CG1 3.47Å; Q358-I362 PolarHBondContact O-N 3.37Å; D359-I362 PolarHBondContact O-N 2.73Å; E360-I362 VanDerWaalsContact C-N 3.31Å; E360-I362 PolarHBondContact O-N 2.97Å; I362-R365 PolarHBondContact O-N 2.91Å; I362-S366 PolarHBondContact O-N 3.41Å; I362-S366 PolarHBondContact O-OG 3.46Å |
| 363 | L | 95.3 | Very high | 93.5 | Very high | 110 Ų | 110 | 104.5 Ų | 104.5 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 177.2 | -176.2 | 70.4 | 0 | 0 | 0 | 112 | D359 E360 R365 S366 Q367 | D359-L363 WeakPolarHBondContact O-CB 3.45Å; D359-L363 PolarHBondContact O-N 3.17Å; E360-L363 PolarHBondContact O-N 3.4Å; L363-R365 VanDerWaalsContact C-N 3.31Å; L363-R365 PolarHBondContact O-N 2.64Å; L363-S366 PolarHBondContact O-N 2.95Å; L363-S366 PolarHBondContact O-OG 3.33Å; L363-Q367 WeakPolarHBondContact O-CB 3.22Å; L363-Q367 PolarHBondContact O-N 2.91Å |
| 364 | L | 93.6 | Very high | 93.4 | Very high | 94 Ų | 94 | 104.1 Ų | 104.1 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 177.6 | -72.5 | 172.5 | 0 | 0 | 0 | 111.4 | E360 Q368 | E360-L364 HydrophobicContact CG-CD1 4.16Å; E360-L364 HydrophobicContact CG-CG 4.49Å; E360-L364 WeakPolarHBondContact O-CB 3.26Å; E360-L364 VanDerWaalsContact O-CG 3.31Å; E360-L364 WeakPolarHBondContact O-CG 3.45Å; E360-L364 PolarHBondContact O-N 2.89Å; L364-Q368 VanDerWaalsContact O-CB 3.28Å; L364-Q368 WeakPolarHBondContact O-CB 3.49Å; L364-Q368 PolarHBondContact O-N 2.98Å |
| 365 | R | 93.6 | Very high | 93.2 | Very high | 176 Ų | 176 | 103.9 Ų | 103.9 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -42.1 | 175 | -77.2 | 176.2 | 179.2 | -172.7 | 1.5 | 112.3 | I361 I362 L363 Q368 Q369 | I361-R365 HydrophobicContact CG2-CG 4.48Å; I361-R365 WeakPolarHBondContact O-CB 3.31Å; I361-R365 VanDerWaalsContact O-CG 3.23Å; I361-R365 WeakPolarHBondContact O-CG 3.36Å; I361-R365 PolarHBondContact O-N 3.49Å; I362-R365 PolarHBondContact O-N 2.91Å; L363-R365 VanDerWaalsContact C-N 3.31Å; L363-R365 PolarHBondContact O-N 2.64Å; R365-Q368 PolarHBondContact O-N 3.21Å; R365-Q369 WeakPolarHBondContact O-CB 3.23Å; R365-Q369 PolarHBondContact O-N 2.99Å |
| 366 | S | 92.5 | Very high | 93.1 | Very high | 65 Ų | 65 | 104.7 Ų | 104.7 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 178.2 | 67.4 | 0 | 0 | 0 | 0 | 111.6 | I362 L363 Q369 S370 | I362-S366 PolarHBondContact O-N 3.41Å; I362-S366 PolarHBondContact O-OG 3.46Å; L363-S366 PolarHBondContact O-N 2.95Å; L363-S366 PolarHBondContact O-OG 3.33Å; S366-Q369 PolarHBondContact O-N 2.92Å; S366-S370 PolarHBondContact O-N 3.37Å; S366-S370 PolarHBondContact O-OG 2.95Å |
| 367 | Q | 93.3 | Very high | 92.9 | Very high | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.5 | -39.8 | 174.1 | -172.7 | 178.1 | 7.1 | 0 | 0 | 112.4 | L363 Q369 S370 S371 | L363-Q367 WeakPolarHBondContact O-CB 3.22Å; L363-Q367 PolarHBondContact O-N 2.91Å; Q367-Q369 VanDerWaalsContact C-N 3.34Å; Q367-S370 PolarHBondContact O-N 3.41Å; Q367-S370 PolarHBondContact O-OG 3.18Å; Q367-S371 WeakPolarHBondContact O-CB 3.37Å; Q367-S371 PolarHBondContact O-N 3.47Å |
| 368 | Q | 91.7 | Very high | 92.9 | Very high | 141 Ų | 141 | 96.6 Ų | 96.6 | 66% | 0.659 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 174.2 | -175.9 | 177.7 | 5.6 | 0 | 0 | 111 | L364 R365 S371 H372 | L364-Q368 VanDerWaalsContact O-CB 3.28Å; L364-Q368 WeakPolarHBondContact O-CB 3.49Å; L364-Q368 PolarHBondContact O-N 2.98Å; R365-Q368 PolarHBondContact O-N 3.21Å; Q368-S371 PolarHBondContact O-N 3.39Å; Q368-H372 VanDerWaalsContact O-CB 3.31Å; Q368-H372 WeakPolarHBondContact O-CB 3.3Å; Q368-H372 PolarHBondContact O-N 3.38Å |
| 369 | Q | 92.6 | Very high | 92.7 | Very high | 109 Ų | 109 | 96.4 Ų | 96.4 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 177.8 | -173.7 | 62.2 | 36.4 | 0 | 0 | 111.4 | R365 S366 Q367 S371 H372 D373 | R365-Q369 WeakPolarHBondContact O-CB 3.23Å; R365-Q369 PolarHBondContact O-N 2.99Å; S366-Q369 PolarHBondContact O-N 2.92Å; Q367-Q369 VanDerWaalsContact C-N 3.34Å; Q369-S371 PolarHBondContact O-N 3.25Å; Q369-H372 PolarHBondContact O-N 3.01Å; Q369-D373 PolarHBondContact NE2-OD1 3.48Å; Q369-D373 PolarHBondContact NE2-OD2 3.45Å; Q369-D373 WeakPolarHBondContact O-CB 3.32Å; Q369-D373 PolarHBondContact O-N 2.93Å |
| 370 | S | 91.4 | Very high | 92.7 | Very high | 57 Ų | 57 | 98.2 Ų | 98.2 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.7 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | S366 Q367 H372 D373 D374 | S366-S370 PolarHBondContact O-N 3.37Å; S366-S370 PolarHBondContact O-OG 2.95Å; Q367-S370 PolarHBondContact O-N 3.41Å; Q367-S370 PolarHBondContact O-OG 3.18Å; S370-H372 VanDerWaalsContact C-N 3.3Å; S370-H372 PolarHBondContact O-N 2.75Å; S370-D373 PolarHBondContact O-N 2.91Å; S370-D374 WeakPolarHBondContact O-CB 3.32Å; S370-D374 VanDerWaalsContact O-CG 3.25Å; S370-D374 PolarHBondContact O-N 3.15Å |
| 371 | S | 89.3 | Confident | 92.7 | Very high | 65 Ų | 65 | 98.2 Ų | 98.2 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | Q367 Q368 Q369 S375 | Q367-S371 WeakPolarHBondContact O-CB 3.37Å; Q367-S371 PolarHBondContact O-N 3.47Å; Q368-S371 PolarHBondContact O-N 3.39Å; Q369-S371 PolarHBondContact O-N 3.25Å; S371-S375 VanDerWaalsContact O-CB 3.31Å; S371-S375 WeakPolarHBondContact O-CB 3.31Å; S371-S375 PolarHBondContact O-N 3Å; S371-S375 PolarHBondContact O-OG 3.28Å |
| 372 | H | 90.6 | Very high | 92.6 | Very high | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.1 | -40.4 | 176.2 | -172.3 | -79.9 | 0 | 0 | 0 | 111.7 | Q368 Q369 S370 S375 R376 | Q368-H372 VanDerWaalsContact O-CB 3.31Å; Q368-H372 WeakPolarHBondContact O-CB 3.3Å; Q368-H372 PolarHBondContact O-N 3.38Å; Q369-H372 PolarHBondContact O-N 3.01Å; S370-H372 VanDerWaalsContact C-N 3.3Å; S370-H372 PolarHBondContact O-N 2.75Å; H372-S375 PolarHBondContact O-N 2.74Å; H372-R376 VanDerWaalsContact O-CB 3.25Å; H372-R376 WeakPolarHBondContact O-CB 3.4Å; H372-R376 PolarHBondContact O-N 2.89Å |
| 373 | D | 91.9 | Very high | 92.6 | Very high | 75 Ų | 75 | 100.9 Ų | 100.9 | 40% | 0.401 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 176.8 | -71.5 | -26.5 | 0 | 0 | 0 | 111.6 | Q369 S370 R376 S377 | Q369-D373 PolarHBondContact NE2-OD1 3.48Å; Q369-D373 PolarHBondContact NE2-OD2 3.45Å; Q369-D373 WeakPolarHBondContact O-CB 3.32Å; Q369-D373 PolarHBondContact O-N 2.93Å; S370-D373 PolarHBondContact O-N 2.91Å; D373-R376 PolarHBondContact O-N 2.99Å; D373-S377 WeakPolarHBondContact O-CB 3.27Å; D373-S377 PolarHBondContact O-N 3.46Å |
| 374 | D | 91.8 | Very high | 92.5 | Very high | 106 Ų | 106 | 98.9 Ų | 98.9 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.7 | -49 | 172.2 | -71.4 | -21.7 | 0 | 0 | 0 | 110.8 | S370 R376 S377 A378 | S370-D374 WeakPolarHBondContact O-CB 3.32Å; S370-D374 VanDerWaalsContact O-CG 3.25Å; S370-D374 PolarHBondContact O-N 3.15Å; D374-R376 VanDerWaalsContact C-N 3.32Å; D374-R376 PolarHBondContact O-N 2.96Å; D374-S377 PolarHBondContact O-N 3.44Å; D374-S377 PolarHBondContact O-OG 2.63Å; D374-A378 PolarHBondContact O-N 2.94Å |
| 375 | S | 90.1 | Very high | 92.6 | Very high | 63 Ų | 63 | 100.5 Ų | 100.5 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | S371 H372 A378 L379 | S371-S375 VanDerWaalsContact O-CB 3.31Å; S371-S375 WeakPolarHBondContact O-CB 3.31Å; S371-S375 PolarHBondContact O-N 3Å; S371-S375 PolarHBondContact O-OG 3.28Å; H372-S375 PolarHBondContact O-N 2.74Å; S375-A378 PolarHBondContact O-N 3.45Å; S375-L379 WeakPolarHBondContact O-CB 3.48Å; S375-L379 WeakPolarHBondContact O-CG 3.4Å; S375-L379 PolarHBondContact O-N 2.77Å |
| 376 | R | 93.3 | Very high | 92.5 | Very high | 131 Ų | 131 | 97.4 Ų | 97.4 | 49% | 0.494 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 177 | -173.9 | 175.4 | -174.5 | 148.4 | 5.9 | 111.9 | H372 D373 D374 R380 | H372-R376 VanDerWaalsContact O-CB 3.25Å; H372-R376 WeakPolarHBondContact O-CB 3.4Å; H372-R376 PolarHBondContact O-N 2.89Å; D373-R376 PolarHBondContact O-N 2.99Å; D374-R376 VanDerWaalsContact C-N 3.32Å; D374-R376 PolarHBondContact O-N 2.96Å; R376-R380 WeakPolarHBondContact O-CG 3.45Å; R376-R380 PolarHBondContact O-N 3.38Å |
| 377 | S | 92.4 | Very high | 92.7 | Very high | 54 Ų | 54 | 100.2 Ų | 100.2 | 38% | 0.378 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 175.8 | 80.8 | 0 | 0 | 0 | 0 | 111.4 | D373 D374 R380 Q381 | D373-S377 WeakPolarHBondContact O-CB 3.27Å; D373-S377 PolarHBondContact O-N 3.46Å; D374-S377 PolarHBondContact O-N 3.44Å; D374-S377 PolarHBondContact O-OG 2.63Å; S377-R380 PolarHBondContact O-N 3.04Å; S377-Q381 WeakPolarHBondContact O-CG 3.39Å; S377-Q381 PolarHBondContact O-N 3.35Å |
| 378 | A | 92.8 | Very high | 92.8 | Very high | 45 Ų | 45 | 100.3 Ų | 100.3 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | D374 S375 Q381 L382 | D374-A378 PolarHBondContact O-N 2.94Å; S375-A378 PolarHBondContact O-N 3.45Å; A378-Q381 PolarHBondContact O-N 3.03Å; A378-L382 WeakPolarHBondContact O-CG 3.3Å; A378-L382 PolarHBondContact O-N 2.92Å |
| 379 | L | 92.1 | Very high | 92.8 | Very high | 104 Ų | 104 | 97.3 Ų | 97.3 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 174.5 | -75.9 | 172.6 | 0 | 0 | 0 | 111.7 | S375 Q381 L382 E383 | S375-L379 WeakPolarHBondContact O-CB 3.48Å; S375-L379 WeakPolarHBondContact O-CG 3.4Å; S375-L379 PolarHBondContact O-N 2.77Å; L379-Q381 VanDerWaalsContact C-N 3.33Å; L379-Q381 PolarHBondContact O-N 3.44Å; L379-L382 PolarHBondContact O-N 3.37Å; L379-L382 VanDerWaalsContact O-N 3.15Å; L379-E383 WeakPolarHBondContact O-CG 3.49Å; L379-E383 PolarHBondContact O-N 3.22Å |
| 380 | R | 95.4 | Very high | 92.9 | Very high | 142 Ų | 142 | 95 Ų | 95 | 54% | 0.536 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 175.2 | -78.8 | 179.3 | 173.7 | 172.9 | -1.4 | 112.6 | R376 S377 L382 E383 D384 | R376-R380 WeakPolarHBondContact O-CG 3.45Å; R376-R380 PolarHBondContact O-N 3.38Å; S377-R380 PolarHBondContact O-N 3.04Å; R380-L382 VanDerWaalsContact C-N 3.32Å; R380-L382 PolarHBondContact O-N 3.28Å; R380-E383 PolarHBondContact O-N 2.88Å; R380-D384 WeakPolarHBondContact O-CB 3.3Å; R380-D384 PolarHBondContact O-N 3.42Å |
| 381 | Q | 94.5 | Very high | 93.1 | Very high | 116 Ų | 116 | 97 Ų | 97 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 176.6 | -71.8 | 177.8 | 17.2 | 0 | 0 | 112.3 | S377 A378 L379 K385 | S377-Q381 WeakPolarHBondContact O-CG 3.39Å; S377-Q381 PolarHBondContact O-N 3.35Å; A378-Q381 PolarHBondContact O-N 3.03Å; L379-Q381 VanDerWaalsContact C-N 3.33Å; L379-Q381 PolarHBondContact O-N 3.44Å; Q381-K385 WeakPolarHBondContact O-CB 3.4Å; Q381-K385 VanDerWaalsContact O-CG 3.27Å; Q381-K385 WeakPolarHBondContact O-CG 3.49Å; Q381-K385 PolarHBondContact O-N 2.89Å |
| 382 | L | 91.7 | Very high | 93.3 | Very high | 108 Ų | 108 | 99.1 Ų | 99.1 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.6 | -41.1 | 175.6 | -71.8 | 174.7 | 0 | 0 | 0 | 111.7 | A378 L379 R380 K385 L386 | A378-L382 WeakPolarHBondContact O-CG 3.3Å; A378-L382 PolarHBondContact O-N 2.92Å; L379-L382 PolarHBondContact O-N 3.37Å; L379-L382 VanDerWaalsContact O-N 3.15Å; R380-L382 VanDerWaalsContact C-N 3.32Å; R380-L382 PolarHBondContact O-N 3.28Å; L382-K385 PolarHBondContact O-N 2.95Å; L382-L386 VanDerWaalsContact O-CB 3.32Å; L382-L386 WeakPolarHBondContact O-CB 3.48Å; L382-L386 PolarHBondContact O-N 2.89Å |
| 383 | E | 94.1 | Very high | 93.4 | Very high | 127 Ų | 127 | 96.3 Ų | 96.3 | 59% | 0.593 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 173.5 | -74.9 | 173 | 177.2 | 0 | 0 | 111.6 | L379 R380 K385 L386 R387 | L379-E383 WeakPolarHBondContact O-CG 3.49Å; L379-E383 PolarHBondContact O-N 3.22Å; R380-E383 PolarHBondContact O-N 2.88Å; E383-K385 PolarHBondContact O-N 3.41Å; E383-L386 PolarHBondContact O-N 3.44Å; E383-R387 WeakPolarHBondContact O-CB 3.44Å; E383-R387 PolarHBondContact O-N 3.2Å |
| 384 | D | 94.2 | Very high | 93.6 | Very high | 68 Ų | 68 | 97.6 Ų | 97.6 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 177 | -82.7 | -30.7 | 0 | 0 | 0 | 112.1 | R380 R387 K388 | R380-D384 WeakPolarHBondContact O-CB 3.3Å; R380-D384 PolarHBondContact O-N 3.42Å; D384-R387 IonicContact OD1-CZ 2.9Å; D384-R387 VanDerWaalsContact OD1-CZ 3.32Å; D384-R387 IonicContact OD1-NH1 2.77Å; D384-R387 PolarHBondContact OD1-NH1 2.88Å; D384-R387 IonicContact OD1-NH2 2.66Å; D384-R387 PolarHBondContact OD1-NH2 3.26Å; D384-K388 WeakPolarHBondContact O-CG 3.17Å; D384-K388 PolarHBondContact O-N 3.33Å |
| 385 | K | 95.3 | Very high | 93.8 | Very high | 129 Ų | 129 | 97.8 Ų | 97.8 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.8 | -45.6 | 173.5 | -78 | 174.4 | -177.2 | 177.2 | 0 | 110.9 | Q381 L382 E383 R387 K388 T389 | Q381-K385 WeakPolarHBondContact O-CB 3.4Å; Q381-K385 VanDerWaalsContact O-CG 3.27Å; Q381-K385 WeakPolarHBondContact O-CG 3.49Å; Q381-K385 PolarHBondContact O-N 2.89Å; L382-K385 PolarHBondContact O-N 2.95Å; E383-K385 PolarHBondContact O-N 3.41Å; K385-R387 VanDerWaalsContact C-N 3.35Å; K385-R387 PolarHBondContact O-N 2.84Å; K385-K388 PolarHBondContact O-N 3.39Å; K385-T389 WeakPolarHBondContact O-CG2 3.47Å; K385-T389 PolarHBondContact O-N 3.43Å; K385-T389 PolarHBondContact O-OG1 3.19Å |
| 386 | L | 92.2 | Very high | 93.9 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.6 | -48 | 178 | -171.4 | 151.2 | 0 | 0 | 0 | 110.2 | L382 E383 K388 T389 T390 | L382-L386 VanDerWaalsContact O-CB 3.32Å; L382-L386 WeakPolarHBondContact O-CB 3.48Å; L382-L386 PolarHBondContact O-N 2.89Å; E383-L386 PolarHBondContact O-N 3.44Å; L386-K388 PolarHBondContact O-N 2.9Å; L386-T389 WeakPolarHBondContact CA-OG1 3.45Å; L386-T389 PolarHBondContact O-N 2.91Å; L386-T389 PolarHBondContact O-OG1 3.39Å; L386-T390 HydrophobicContact CD2-CG2 3.92Å; L386-T390 WeakPolarHBondContact O-CG2 3.48Å; L386-T390 PolarHBondContact O-N 2.92Å; L386-T390 PolarHBondContact O-OG1 3.49Å; L386-T390 VanDerWaalsContact O-OG1 3.12Å |
| 387 | R | 96.4 | Very high | 94 | Very high | 124 Ų | 124 | 100.4 Ų | 100.4 | 47% | 0.468 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 177.2 | -168.4 | -177.3 | 70.3 | -120.7 | -7.4 | 112.1 | E383 D384 K385 T390 E391 | E383-R387 WeakPolarHBondContact O-CB 3.44Å; E383-R387 PolarHBondContact O-N 3.2Å; D384-R387 IonicContact OD1-CZ 2.9Å; D384-R387 VanDerWaalsContact OD1-CZ 3.32Å; D384-R387 IonicContact OD1-NH1 2.77Å; D384-R387 PolarHBondContact OD1-NH1 2.88Å; D384-R387 IonicContact OD1-NH2 2.66Å; D384-R387 PolarHBondContact OD1-NH2 3.26Å; K385-R387 VanDerWaalsContact C-N 3.35Å; K385-R387 PolarHBondContact O-N 2.84Å; R387-T390 WeakPolarHBondContact CA-OG1 3.5Å; R387-T390 PolarHBondContact O-N 3.25Å; R387-T390 PolarHBondContact O-OG1 2.98Å; R387-E391 WeakPolarHBondContact CG-OE1 3.29Å; R387-E391 IonicContact NE-OE1 3.92Å; R387-E391 WeakPolarHBondContact O-CB 3.47Å; R387-E391 VanDerWaalsContact O-CG 3.28Å; R387-E391 WeakPolarHBondContact O-CG 3.42Å; R387-E391 PolarHBondContact O-N 2.86Å |
| 388 | K | 95.8 | Very high | 94.1 | Very high | 121 Ų | 121 | 100.6 Ų | 100.6 | 53% | 0.526 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 176.5 | -72.7 | 175.6 | -178.6 | -177.3 | 0 | 112.1 | D384 K385 L386 T390 E391 E392 | D384-K388 WeakPolarHBondContact O-CG 3.17Å; D384-K388 PolarHBondContact O-N 3.33Å; K385-K388 PolarHBondContact O-N 3.39Å; L386-K388 PolarHBondContact O-N 2.9Å; K388-T390 VanDerWaalsContact C-N 3.32Å; K388-T390 PolarHBondContact O-N 2.93Å; K388-E391 PolarHBondContact O-N 3.25Å; K388-E392 WeakPolarHBondContact O-CG 3.32Å; K388-E392 PolarHBondContact O-N 2.89Å |
| 389 | T | 91.9 | Very high | 94.2 | Very high | 79 Ų | 79 | 103.7 Ų | 103.7 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -34.2 | 179.1 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | K385 L386 A393 | K385-T389 WeakPolarHBondContact O-CG2 3.47Å; K385-T389 PolarHBondContact O-N 3.43Å; K385-T389 PolarHBondContact O-OG1 3.19Å; L386-T389 WeakPolarHBondContact CA-OG1 3.45Å; L386-T389 PolarHBondContact O-N 2.91Å; L386-T389 PolarHBondContact O-OG1 3.39Å; T389-A393 WeakPolarHBondContact O-CB 3.42Å; T389-A393 PolarHBondContact O-N 2.85Å |
| 390 | T | 93.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 106.7 Ų | 106.7 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.3 | -42.7 | 174.9 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | L386 R387 K388 E392 A393 D394 | L386-T390 HydrophobicContact CD2-CG2 3.92Å; L386-T390 WeakPolarHBondContact O-CG2 3.48Å; L386-T390 PolarHBondContact O-N 2.92Å; L386-T390 PolarHBondContact O-OG1 3.49Å; L386-T390 VanDerWaalsContact O-OG1 3.12Å; R387-T390 WeakPolarHBondContact CA-OG1 3.5Å; R387-T390 PolarHBondContact O-N 3.25Å; R387-T390 PolarHBondContact O-OG1 2.98Å; K388-T390 VanDerWaalsContact C-N 3.32Å; K388-T390 PolarHBondContact O-N 2.93Å; T390-E392 VanDerWaalsContact C-N 3.33Å; T390-E392 PolarHBondContact O-N 3.46Å; T390-A393 PolarHBondContact O-N 3.5Å; T390-D394 WeakPolarHBondContact O-CB 3.32Å; T390-D394 VanDerWaalsContact O-CG 3.23Å; T390-D394 PolarHBondContact O-N 2.97Å |
| 391 | E | 95.4 | Very high | 94.1 | Very high | 100 Ų | 100 | 106.9 Ų | 106.9 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175 | -73.2 | 167.5 | -172.3 | 0 | 0 | 111.5 | R387 K388 M395 | R387-E391 WeakPolarHBondContact CG-OE1 3.29Å; R387-E391 IonicContact NE-OE1 3.92Å; R387-E391 WeakPolarHBondContact O-CB 3.47Å; R387-E391 VanDerWaalsContact O-CG 3.28Å; R387-E391 WeakPolarHBondContact O-CG 3.42Å; R387-E391 PolarHBondContact O-N 2.86Å; K388-E391 PolarHBondContact O-N 3.25Å; E391-M395 WeakPolarHBondContact O-CB 3.41Å; E391-M395 WeakPolarHBondContact O-CG 3.26Å; E391-M395 PolarHBondContact O-N 3.06Å |
| 392 | E | 94.4 | Very high | 94.1 | Very high | 108 Ų | 108 | 107 Ų | 107 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.9 | -73.9 | 174.4 | -172.5 | 0 | 0 | 112 | K388 T390 M395 Y396 | K388-E392 WeakPolarHBondContact O-CG 3.32Å; K388-E392 PolarHBondContact O-N 2.89Å; T390-E392 VanDerWaalsContact C-N 3.33Å; T390-E392 PolarHBondContact O-N 3.46Å; E392-M395 WeakPolarHBondContact O-CB 3.42Å; E392-M395 PolarHBondContact O-N 3.1Å; E392-Y396 HydrophobicContact CB-CE2 4.46Å; E392-Y396 WeakPolarHBondContact O-CD2 3.5Å; E392-Y396 PolarHBondContact O-N 3.25Å |
| 393 | A | 93.1 | Very high | 94.1 | Very high | 52 Ų | 52 | 106 Ų | 106 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T389 T390 M395 Y396 E397 | T389-A393 WeakPolarHBondContact O-CB 3.42Å; T389-A393 PolarHBondContact O-N 2.85Å; T390-A393 PolarHBondContact O-N 3.5Å; A393-M395 VanDerWaalsContact C-N 3.31Å; A393-M395 PolarHBondContact O-N 3.45Å; A393-Y396 PolarHBondContact O-N 3.35Å; A393-E397 WeakPolarHBondContact O-CB 3.32Å; A393-E397 PolarHBondContact O-N 3.46Å |
| 394 | D | 95.1 | Very high | 94 | Very high | 102 Ų | 102 | 101.7 Ų | 101.7 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 177.1 | -70.9 | -18.3 | 0 | 0 | 0 | 111.2 | T390 E397 S398 | T390-D394 WeakPolarHBondContact O-CB 3.32Å; T390-D394 VanDerWaalsContact O-CG 3.23Å; T390-D394 PolarHBondContact O-N 2.97Å; D394-E397 PolarHBondContact O-N 3.34Å; D394-S398 WeakPolarHBondContact O-CB 3.41Å; D394-S398 PolarHBondContact O-N 3.48Å |
| 395 | M | 95.6 | Very high | 93.9 | Very high | 109 Ų | 109 | 105.1 Ų | 105.1 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174 | -81.9 | -177.1 | 35.4 | 0 | 0 | 112.4 | E391 E392 A393 E397 S398 K399 | E391-M395 WeakPolarHBondContact O-CB 3.41Å; E391-M395 WeakPolarHBondContact O-CG 3.26Å; E391-M395 PolarHBondContact O-N 3.06Å; E392-M395 WeakPolarHBondContact O-CB 3.42Å; E392-M395 PolarHBondContact O-N 3.1Å; A393-M395 VanDerWaalsContact C-N 3.31Å; A393-M395 PolarHBondContact O-N 3.45Å; M395-E397 VanDerWaalsContact C-N 3.34Å; M395-S398 PolarHBondContact O-N 3.48Å; M395-K399 WeakPolarHBondContact O-CG 3.48Å; M395-K399 PolarHBondContact O-N 2.88Å |
| 396 | Y | 93 | Very high | 93.7 | Very high | 159 Ų | 159 | 103.1 Ų | 103.1 | 62% | 0.624 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.8 | -38.3 | 177 | -73.8 | -60.1 | 0 | 0 | 0 | 111.8 | E392 A393 K399 Y400 | E392-Y396 HydrophobicContact CB-CE2 4.46Å; E392-Y396 WeakPolarHBondContact O-CD2 3.5Å; E392-Y396 PolarHBondContact O-N 3.25Å; A393-Y396 PolarHBondContact O-N 3.35Å; Y396-K399 PolarHBondContact O-N 3.2Å; Y396-Y400 WeakPolarHBondContact O-CB 3.45Å; Y396-Y400 PolarHBondContact O-N 3.41Å |
| 397 | E | 95 | Very high | 93.5 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176 | -163.2 | -174.8 | 157.7 | 0 | 0 | 111.4 | A393 D394 M395 K399 Y400 R401 | A393-E397 WeakPolarHBondContact O-CB 3.32Å; A393-E397 PolarHBondContact O-N 3.46Å; D394-E397 PolarHBondContact O-N 3.34Å; M395-E397 VanDerWaalsContact C-N 3.34Å; E397-K399 PolarHBondContact O-N 2.94Å; E397-Y400 PolarHBondContact O-N 2.94Å; E397-R401 WeakPolarHBondContact O-CG 3.43Å; E397-R401 PolarHBondContact O-N 3.35Å; E397-R401 IonicContact OE1-CZ 2.91Å; E397-R401 IonicContact OE1-NE 3.62Å; E397-R401 PolarHBondContact OE1-NE 3.23Å; E397-R401 IonicContact OE1-NH2 2.64Å; E397-R401 PolarHBondContact OE1-NH2 2.94Å |
| 398 | S | 94.9 | Very high | 93.1 | Very high | 59 Ų | 59 | 97.6 Ų | 97.6 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.9 | -169.2 | 0 | 0 | 0 | 0 | 111.5 | D394 M395 Y400 R401 E402 | D394-S398 WeakPolarHBondContact O-CB 3.41Å; D394-S398 PolarHBondContact O-N 3.48Å; M395-S398 PolarHBondContact O-N 3.48Å; S398-Y400 VanDerWaalsContact C-N 3.33Å; S398-Y400 PolarHBondContact O-N 3.44Å; S398-R401 PolarHBondContact O-N 2.92Å; S398-E402 WeakPolarHBondContact O-CG 3.44Å; S398-E402 PolarHBondContact O-N 2.9Å |
| 399 | K | 94.8 | Very high | 92.8 | Very high | 110 Ų | 110 | 97.7 Ų | 97.7 | 48% | 0.478 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 175.8 | -73.1 | 176.1 | -178.6 | 177.5 | 0 | 111.8 | M395 Y396 E397 E402 V403 | M395-K399 WeakPolarHBondContact O-CG 3.48Å; M395-K399 PolarHBondContact O-N 2.88Å; Y396-K399 PolarHBondContact O-N 3.2Å; E397-K399 PolarHBondContact O-N 2.94Å; K399-E402 PolarHBondContact O-N 3.35Å; K399-V403 WeakPolarHBondContact O-CG2 3.41Å; K399-V403 PolarHBondContact O-N 3.31Å |
| 400 | Y | 91.8 | Very high | 92.6 | Very high | 167 Ų | 167 | 97.2 Ų | 97.2 | 66% | 0.655 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 176.1 | 178.1 | -97.8 | 0 | 0 | 0 | 111.6 | Y396 E397 S398 E402 V403 S404 | Y396-Y400 WeakPolarHBondContact O-CB 3.45Å; Y396-Y400 PolarHBondContact O-N 3.41Å; E397-Y400 PolarHBondContact O-N 2.94Å; S398-Y400 VanDerWaalsContact C-N 3.33Å; S398-Y400 PolarHBondContact O-N 3.44Å; Y400-E402 VanDerWaalsContact C-N 3.32Å; Y400-E402 PolarHBondContact O-N 2.93Å; Y400-V403 PolarHBondContact O-N 3.37Å; Y400-S404 WeakPolarHBondContact O-CB 3.2Å; Y400-S404 PolarHBondContact O-N 2.97Å |
| 401 | R | 94.4 | Very high | 92.3 | Very high | 145 Ų | 145 | 95.7 Ų | 95.7 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 175.2 | -72.6 | 179.1 | -168.3 | -154.1 | 9.3 | 111.8 | E397 S398 K405 | E397-R401 WeakPolarHBondContact O-CG 3.43Å; E397-R401 PolarHBondContact O-N 3.35Å; E397-R401 IonicContact OE1-CZ 2.91Å; E397-R401 IonicContact OE1-NE 3.62Å; E397-R401 PolarHBondContact OE1-NE 3.23Å; E397-R401 IonicContact OE1-NH2 2.64Å; E397-R401 PolarHBondContact OE1-NH2 2.94Å; S398-R401 PolarHBondContact O-N 2.92Å; R401-K405 VanDerWaalsContact O-CG 3.28Å; R401-K405 WeakPolarHBondContact O-CG 3.4Å; R401-K405 PolarHBondContact O-N 3.48Å |
| 402 | E | 94.3 | Very high | 91.9 | Very high | 118 Ų | 118 | 94.9 Ų | 94.9 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.3 | -48.6 | 175.5 | -73.5 | 172.3 | -166.5 | 0 | 0 | 112 | S398 K399 Y400 S404 K405 T406 | S398-E402 WeakPolarHBondContact O-CG 3.44Å; S398-E402 PolarHBondContact O-N 2.9Å; K399-E402 PolarHBondContact O-N 3.35Å; Y400-E402 VanDerWaalsContact C-N 3.32Å; Y400-E402 PolarHBondContact O-N 2.93Å; E402-S404 PolarHBondContact O-N 3.36Å; E402-K405 WeakPolarHBondContact O-CB 3.24Å; E402-K405 PolarHBondContact O-N 2.85Å; E402-T406 PolarHBondContact O-N 3.43Å; E402-T406 VanDerWaalsContact O-N 3.07Å |
| 403 | V | 91.9 | Very high | 91.5 | Very high | 88 Ų | 88 | 92.1 Ų | 92.1 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 178 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | K399 Y400 K405 T406 L407 | K399-V403 WeakPolarHBondContact O-CG2 3.41Å; K399-V403 PolarHBondContact O-N 3.31Å; Y400-V403 PolarHBondContact O-N 3.37Å; V403-K405 VanDerWaalsContact C-N 3.34Å; V403-K405 PolarHBondContact O-N 3.42Å; V403-T406 WeakPolarHBondContact CA-OG1 3.23Å; V403-T406 PolarHBondContact O-N 3.17Å; V403-T406 PolarHBondContact O-OG1 3.35Å; V403-L407 VanDerWaalsContact O-CB 3.25Å; V403-L407 WeakPolarHBondContact O-CB 3.46Å; V403-L407 PolarHBondContact O-N 2.88Å |
| 404 | S | 90.4 | Very high | 91.1 | Very high | 36 Ų | 36 | 89.8 Ų | 89.8 | 25% | 0.252 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.1 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | Y400 E402 T406 L407 D408 | Y400-S404 WeakPolarHBondContact O-CB 3.2Å; Y400-S404 PolarHBondContact O-N 2.97Å; E402-S404 PolarHBondContact O-N 3.36Å; S404-T406 PolarHBondContact O-N 3.43Å; S404-L407 PolarHBondContact O-N 2.94Å; S404-D408 WeakPolarHBondContact O-CB 3.47Å; S404-D408 PolarHBondContact O-N 3.29Å |
| 405 | K | 92.8 | Very high | 90.6 | Very high | 141 Ų | 141 | 87.9 Ų | 87.9 | 61% | 0.613 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 176.1 | -74.8 | 171.3 | -177.3 | 178 | 0 | 111.9 | R401 E402 V403 L407 D408 L409 | R401-K405 VanDerWaalsContact O-CG 3.28Å; R401-K405 WeakPolarHBondContact O-CG 3.4Å; R401-K405 PolarHBondContact O-N 3.48Å; E402-K405 WeakPolarHBondContact O-CB 3.24Å; E402-K405 PolarHBondContact O-N 2.85Å; V403-K405 VanDerWaalsContact C-N 3.34Å; V403-K405 PolarHBondContact O-N 3.42Å; K405-L407 VanDerWaalsContact C-N 3.34Å; K405-D408 PolarHBondContact O-N 2.94Å; K405-L409 WeakPolarHBondContact O-CG 3.32Å; K405-L409 PolarHBondContact O-N 3.29Å |
| 406 | T | 90.3 | Very high | 90.1 | Very high | 87 Ų | 87 | 90 Ų | 90 | 53% | 0.534 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 178.2 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | E402 V403 S404 L409 L410 | E402-T406 PolarHBondContact O-N 3.43Å; E402-T406 VanDerWaalsContact O-N 3.07Å; V403-T406 WeakPolarHBondContact CA-OG1 3.23Å; V403-T406 PolarHBondContact O-N 3.17Å; V403-T406 PolarHBondContact O-OG1 3.35Å; S404-T406 PolarHBondContact O-N 3.43Å; T406-L409 PolarHBondContact O-N 3.22Å; T406-L410 PolarHBondContact O-N 3.33Å |
| 407 | L | 88.6 | Confident | 89.7 | Confident | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.277 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 175.7 | -168.1 | 65 | 0 | 0 | 0 | 112.1 | V403 S404 K405 L410 K411 D440 L443 | V403-L407 VanDerWaalsContact O-CB 3.25Å; V403-L407 WeakPolarHBondContact O-CB 3.46Å; V403-L407 PolarHBondContact O-N 2.88Å; S404-L407 PolarHBondContact O-N 2.94Å; K405-L407 VanDerWaalsContact C-N 3.34Å; L407-L410 WeakPolarHBondContact O-CB 3.26Å; L407-L410 PolarHBondContact O-N 2.9Å; L407-K411 WeakPolarHBondContact O-CG 3.18Å; L407-K411 PolarHBondContact O-N 3.45Å; L407-D440 WeakPolarHBondContact CD2-OD1 3.3Å; L407-D440 WeakPolarHBondContact CG-OD1 3.33Å; L407-L443 HydrophobicContact CD1-CD2 4.28Å |
| 408 | D | 88.4 | Confident | 89.1 | Confident | 66 Ų | 66 | 83 Ų | 83 | 35% | 0.353 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 176.3 | -68.9 | -27.1 | 0 | 0 | 0 | 112.1 | S404 K405 L410 K411 N412 | S404-D408 WeakPolarHBondContact O-CB 3.47Å; S404-D408 PolarHBondContact O-N 3.29Å; K405-D408 PolarHBondContact O-N 2.94Å; D408-L410 VanDerWaalsContact C-N 3.3Å; D408-L410 PolarHBondContact O-N 2.94Å; D408-K411 PolarHBondContact O-N 2.89Å; D408-K411 IonicContact OD1-NZ 2.65Å; D408-K411 PolarHBondContact OD1-NZ 3.09Å; D408-N412 WeakPolarHBondContact O-CB 3.4Å; D408-N412 VanDerWaalsContact O-CG 3.24Å; D408-N412 PolarHBondContact O-N 3.46Å; D408-N412 PolarHBondContact O-ND2 3.33Å |
| 409 | L | 89.8 | Confident | 88.5 | Confident | 123 Ų | 123 | 86.4 Ų | 86.4 | 64% | 0.644 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.4 | -40.3 | 170.3 | -72.3 | 172 | 0 | 0 | 0 | 111.6 | K405 T406 N412 S413 | K405-L409 WeakPolarHBondContact O-CG 3.32Å; K405-L409 PolarHBondContact O-N 3.29Å; T406-L409 PolarHBondContact O-N 3.22Å; L409-N412 PolarHBondContact O-N 3.02Å; L409-S413 PolarHBondContact O-N 2.9Å |
| 410 | L | 87.9 | Confident | 87.9 | Confident | 69 Ų | 69 | 89.9 Ų | 89.9 | 36% | 0.361 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 176.8 | -174.8 | 65 | 0 | 0 | 0 | 112 | T406 L407 D408 N412 S413 V414 L443 F447 | T406-L410 PolarHBondContact O-N 3.33Å; L407-L410 WeakPolarHBondContact O-CB 3.26Å; L407-L410 PolarHBondContact O-N 2.9Å; D408-L410 VanDerWaalsContact C-N 3.3Å; D408-L410 PolarHBondContact O-N 2.94Å; L410-N412 VanDerWaalsContact C-N 3.28Å; L410-N412 PolarHBondContact O-N 2.9Å; L410-S413 WeakPolarHBondContact CA-OG 3.35Å; L410-S413 PolarHBondContact O-N 3.32Å; L410-S413 PolarHBondContact O-OG 3.18Å; L410-V414 HydrophobicContact CD1-CG2 4.27Å; L410-V414 HydrophobicContact CG-CG2 4.35Å; L410-V414 WeakPolarHBondContact O-CB 3.46Å; L410-V414 VanDerWaalsContact O-CG2 3.25Å; L410-V414 WeakPolarHBondContact O-CG2 3.5Å; L410-V414 PolarHBondContact O-N 3.1Å; L410-L443 HydrophobicContact CD2-CD2 4.07Å; L410-F447 HydrophobicContact CD1-CZ 4.26Å; L410-F447 HydrophobicContact CD2-CZ 4.35Å; L410-F447 HydrophobicContact CG-CZ 4.38Å |
| 411 | K | 85.5 | Confident | 87.3 | Confident | 28 Ų | 28 | 83.7 Ų | 83.7 | 12% | 0.122 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.1 | -47.1 | 173.8 | -72.6 | 170.9 | -173.5 | 159.3 | 0 | 111.1 | L407 D408 S413 V414 E415 V438 D440 L443 | L407-K411 WeakPolarHBondContact O-CG 3.18Å; L407-K411 PolarHBondContact O-N 3.45Å; D408-K411 PolarHBondContact O-N 2.89Å; D408-K411 IonicContact OD1-NZ 2.65Å; D408-K411 PolarHBondContact OD1-NZ 3.09Å; K411-S413 PolarHBondContact O-N 2.91Å; K411-V414 PolarHBondContact O-N 2.63Å; K411-E415 WeakPolarHBondContact O-CB 3.35Å; K411-E415 PolarHBondContact O-N 2.88Å; K411-V438 HydrophobicContact CB-CG1 4.39Å; K411-V438 HydrophobicContact CG-CG1 4.26Å; K411-D440 VanDerWaalsContact CE-CG 3.4Å; K411-D440 WeakPolarHBondContact CE-OD1 3.41Å; K411-D440 IonicContact NZ-OD1 3.74Å; K411-D440 PolarHBondContact NZ-OD1 3.47Å; K411-D440 IonicContact NZ-OD2 2.69Å; K411-D440 PolarHBondContact NZ-OD2 3.13Å; K411-L443 HydrophobicContact CG-CD1 4.21Å |
| 412 | N | 87.1 | Confident | 86.3 | Confident | 83 Ų | 83 | 83 Ų | 83 | 44% | 0.444 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 179.1 | -72.1 | -33.4 | 0 | 0 | 0 | 112.3 | D408 L409 L410 K416 | D408-N412 WeakPolarHBondContact O-CB 3.4Å; D408-N412 VanDerWaalsContact O-CG 3.24Å; D408-N412 PolarHBondContact O-N 3.46Å; D408-N412 PolarHBondContact O-ND2 3.33Å; L409-N412 PolarHBondContact O-N 3.02Å; L410-N412 VanDerWaalsContact C-N 3.28Å; L410-N412 PolarHBondContact O-N 2.9Å; N412-K416 VanDerWaalsContact O-CG 3.26Å; N412-K416 WeakPolarHBondContact O-CG 3.48Å; N412-K416 PolarHBondContact O-N 3.37Å; N412-K416 VanDerWaalsContact O-N 3.08Å |
| 413 | S | 86.3 | Confident | 85.2 | Confident | 50 Ų | 50 | 77.9 Ų | 77.9 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.1 | -40.2 | 178 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | L409 L410 K411 K416 L417 | L409-S413 PolarHBondContact O-N 2.9Å; L410-S413 WeakPolarHBondContact CA-OG 3.35Å; L410-S413 PolarHBondContact O-N 3.32Å; L410-S413 PolarHBondContact O-OG 3.18Å; K411-S413 PolarHBondContact O-N 2.91Å; S413-K416 PolarHBondContact O-N 2.9Å; S413-L417 WeakPolarHBondContact O-CB 3.44Å; S413-L417 PolarHBondContact O-N 3.4Å |
| 414 | V | 85.9 | Confident | 84.1 | Confident | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.012 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L410 K411 K416 L417 F418 L443 F447 I450 | L410-V414 HydrophobicContact CD1-CG2 4.27Å; L410-V414 HydrophobicContact CG-CG2 4.35Å; L410-V414 WeakPolarHBondContact O-CB 3.46Å; L410-V414 VanDerWaalsContact O-CG2 3.25Å; L410-V414 WeakPolarHBondContact O-CG2 3.5Å; L410-V414 PolarHBondContact O-N 3.1Å; K411-V414 PolarHBondContact O-N 2.63Å; V414-K416 VanDerWaalsContact C-N 3.33Å; V414-K416 PolarHBondContact O-N 3.27Å; V414-L417 PolarHBondContact O-N 2.92Å; V414-F418 VanDerWaalsContact O-CB 3.29Å; V414-F418 WeakPolarHBondContact O-CB 3.49Å; V414-F418 PolarHBondContact O-N 2.96Å; V414-L443 HydrophobicContact CB-CD1 4.27Å; V414-L443 HydrophobicContact CG1-CD1 4.27Å; V414-L443 HydrophobicContact CG2-CD1 4.17Å; V414-F447 HydrophobicContact CG2-CD1 4.37Å; V414-F447 HydrophobicContact CG2-CE1 3.46Å; V414-F447 VanDerWaalsContact CG2-CE1 3.46Å; V414-F447 HydrophobicContact CG2-CE2 4.32Å; V414-F447 HydrophobicContact CG2-CZ 3.43Å; V414-F447 VanDerWaalsContact CG2-CZ 3.43Å; V414-I450 HydrophobicContact CG1-CD1 3.88Å |
| 415 | E | 83.6 | Confident | 82.8 | Confident | 62 Ų | 62 | 78.3 Ų | 78.3 | 29% | 0.29 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 176.2 | -167.9 | -173.9 | 161.3 | 0 | 0 | 111.5 | K411 F418 K419 V438 | K411-E415 WeakPolarHBondContact O-CB 3.35Å; K411-E415 PolarHBondContact O-N 2.88Å; E415-F418 PolarHBondContact O-N 3.24Å; E415-K419 WeakPolarHBondContact O-CG 3.21Å; E415-K419 PolarHBondContact O-N 3.45Å; E415-K419 WeakPolarHBondContact OE1-CE 3.41Å; E415-K419 IonicContact OE1-NZ 3.31Å; E415-K419 PolarHBondContact OE1-NZ 3.4Å; E415-V438 HydrophobicContact CB-CG2 4.04Å; E415-V438 HydrophobicContact CG-CG2 4.35Å |
| 416 | K | 85.1 | Confident | 81.6 | Confident | 154 Ų | 154 | 75.8 Ų | 75.8 | 67% | 0.67 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 174.3 | -74.6 | 173.2 | -176.4 | 179.9 | 0 | 112 | N412 S413 V414 K419 K420 | N412-K416 VanDerWaalsContact O-CG 3.26Å; N412-K416 WeakPolarHBondContact O-CG 3.48Å; N412-K416 PolarHBondContact O-N 3.37Å; N412-K416 VanDerWaalsContact O-N 3.08Å; S413-K416 PolarHBondContact O-N 2.9Å; V414-K416 VanDerWaalsContact C-N 3.33Å; V414-K416 PolarHBondContact O-N 3.27Å; K416-K419 PolarHBondContact O-N 3.5Å; K416-K420 WeakPolarHBondContact O-CB 3.47Å; K416-K420 PolarHBondContact O-N 2.83Å |
| 417 | L | 84.3 | Confident | 80.4 | Confident | 82 Ų | 82 | 77.5 Ų | 77.5 | 43% | 0.429 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 177.3 | -106.2 | 159.9 | 0 | 0 | 0 | 111.6 | S413 V414 K419 K420 I421 I450 | S413-L417 WeakPolarHBondContact O-CB 3.44Å; S413-L417 PolarHBondContact O-N 3.4Å; V414-L417 PolarHBondContact O-N 2.92Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 2.97Å; L417-K420 PolarHBondContact O-N 3.07Å; L417-K420 VanDerWaalsContact O-N 3.11Å; L417-I421 HydrophobicContact CD2-CD1 3.47Å; L417-I421 VanDerWaalsContact CD2-CD1 3.47Å; L417-I421 HydrophobicContact CD2-CG1 4.19Å; L417-I421 WeakPolarHBondContact O-CG1 3.41Å; L417-I421 PolarHBondContact O-N 2.9Å; L417-I450 HydrophobicContact CB-CD1 4.5Å |
| 418 | F | 82.4 | Confident | 79.1 | Confident | 19 Ų | 19 | 75.2 Ų | 75.2 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 178.6 | -167.4 | -88.6 | 0 | 0 | 0 | 111.7 | V414 E415 N422 C423 A425 I428 Y446 I449 I450 | V414-F418 VanDerWaalsContact O-CB 3.29Å; V414-F418 WeakPolarHBondContact O-CB 3.49Å; V414-F418 PolarHBondContact O-N 2.96Å; E415-F418 PolarHBondContact O-N 3.24Å; F418-N422 PolarHBondContact O-N 3.32Å; F418-C423 HydrophobicContact CD1-CB 4.18Å; F418-C423 HydrophobicContact CD2-CB 3.59Å; F418-C423 HydrophobicContact CE1-CB 3.91Å; F418-C423 VanDerWaalsContact CE1-O 3.31Å; F418-C423 WeakPolarHBondContact CE1-O 3.26Å; F418-C423 HydrophobicContact CE2-CB 3.31Å; F418-C423 HydrophobicContact CG-CB 4.02Å; F418-C423 HydrophobicContact CZ-CB 3.48Å; F418-C423 VanDerWaalsContact CZ-CB 3.48Å; F418-C423 PolarHBondContact O-N 3.34Å; F418-A425 HydrophobicContact CE1-CB 3.95Å; F418-A425 HydrophobicContact CZ-CB 4.28Å; F418-I428 HydrophobicContact CE2-CD1 3.73Å; F418-I428 HydrophobicContact CZ-CD1 3.81Å; F418-Y446 HydrophobicContact CD1-CE1 4.34Å; F418-Y446 AromaticContact CD2-CD1 3.57Å; F418-Y446 HydrophobicContact CD2-CD1 3.57Å; F418-Y446 HydrophobicContact CD2-CE1 4.09Å; F418-Y446 HydrophobicContact CE1-CE1 4.33Å; F418-Y446 AromaticContact CE2-CD1 3.72Å; F418-Y446 HydrophobicContact CE2-CD1 3.72Å; F418-Y446 HydrophobicContact CE2-CE1 4.05Å; F418-Y446 HydrophobicContact CG-CD1 4.03Å; F418-Y446 HydrophobicContact CG-CE1 4.23Å; F418-Y446 HydrophobicContact CZ-CD1 4.32Å; F418-Y446 HydrophobicContact CZ-CE1 4.18Å; F418-I449 HydrophobicContact CE2-CB 4.47Å; F418-I449 HydrophobicContact CE2-CG2 3.91Å; F418-I450 HydrophobicContact CB-CD1 4.27Å; F418-I450 HydrophobicContact CD2-CD1 4.19Å; F418-I450 HydrophobicContact CD2-CG1 3.89Å |
| 419 | K | 82.6 | Confident | 77.9 | Confident | 132 Ų | 132 | 76 Ų | 76 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.7 | -40.6 | 173.6 | -71.1 | 176.2 | -173.3 | 169.5 | 0 | 112.2 | E415 K416 L417 N422 | E415-K419 WeakPolarHBondContact O-CG 3.21Å; E415-K419 PolarHBondContact O-N 3.45Å; E415-K419 WeakPolarHBondContact OE1-CE 3.41Å; E415-K419 IonicContact OE1-NZ 3.31Å; E415-K419 PolarHBondContact OE1-NZ 3.4Å; K416-K419 PolarHBondContact O-N 3.5Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 2.97Å; K419-N422 PolarHBondContact O-N 3.3Å; K419-N422 PolarHBondContact O-OD1 2.93Å |
| 420 | K | 83.1 | Confident | 76.6 | Confident | 182 Ų | 182 | 76.2 Ų | 76.2 | 79% | 0.791 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70 | -34.9 | -177.1 | -169.7 | 175.9 | -179.4 | -177.4 | 0 | 113.4 | K416 L417 N422 | K416-K420 WeakPolarHBondContact O-CB 3.47Å; K416-K420 PolarHBondContact O-N 2.83Å; L417-K420 PolarHBondContact O-N 3.07Å; L417-K420 VanDerWaalsContact O-N 3.11Å; K420-N422 VanDerWaalsContact C-N 3.28Å |
| 421 | I | 77.9 | Confident | 75.2 | Confident | 37 Ų | 37 | 80 Ų | 80 | 19% | 0.19 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -5.3 | -179.2 | -61.3 | 170.1 | 0 | 0 | 0 | 111.5 | L417 C423 I450 K453 L457 | L417-I421 HydrophobicContact CD2-CD1 3.47Å; L417-I421 VanDerWaalsContact CD2-CD1 3.47Å; L417-I421 HydrophobicContact CD2-CG1 4.19Å; L417-I421 WeakPolarHBondContact O-CG1 3.41Å; L417-I421 PolarHBondContact O-N 2.9Å; I421-C423 VanDerWaalsContact C-N 3.33Å; I421-C423 PolarHBondContact O-N 3.01Å; I421-I450 HydrophobicContact CD1-CG2 4.06Å; I421-K453 HydrophobicContact CG2-CB 4.28Å; I421-K453 HydrophobicContact CG2-CG 3.69Å; I421-L457 HydrophobicContact CG2-CD1 3.89Å |
| 422 | N | 74.6 | Confident | 73.9 | Confident | 130 Ų | 130 | 82 Ų | 82 | 70% | 0.695 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 50.7 | -172.8 | -69.9 | -21.5 | 0 | 0 | 0 | 111.6 | F418 K419 K420 | F418-N422 PolarHBondContact O-N 3.32Å; K419-N422 PolarHBondContact O-N 3.3Å; K419-N422 PolarHBondContact O-OD1 2.93Å; K420-N422 VanDerWaalsContact C-N 3.28Å |
| 423 | C | 71.1 | Confident | 72.2 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | trans | -71.8 | 138.9 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 110.8 | F418 I421 A425 I449 | F418-C423 HydrophobicContact CD1-CB 4.18Å; F418-C423 HydrophobicContact CD2-CB 3.59Å; F418-C423 HydrophobicContact CE1-CB 3.91Å; F418-C423 VanDerWaalsContact CE1-O 3.31Å; F418-C423 WeakPolarHBondContact CE1-O 3.26Å; F418-C423 HydrophobicContact CE2-CB 3.31Å; F418-C423 HydrophobicContact CG-CB 4.02Å; F418-C423 HydrophobicContact CZ-CB 3.48Å; F418-C423 VanDerWaalsContact CZ-CB 3.48Å; F418-C423 PolarHBondContact O-N 3.34Å; I421-C423 VanDerWaalsContact C-N 3.33Å; I421-C423 PolarHBondContact O-N 3.01Å; C423-A425 PolarHBondContact O-N 3.18Å; C423-I449 HydrophobicContact CB-CG2 4.17Å | ||
| 424 | D | 68.2 | Low | 70.4 | Confident | 97 Ų | 97 | 86.9 Ų | 86.9 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | trans | -68.9 | 105 | 179.6 | -73.6 | -38.1 | 0 | 0 | 0 | 111.3 | T426 | D424-T426 PolarHBondContact O-N 3.31Š| ||
| 425 | A | 64 | Low | 68.9 | Low | 37 Ų | 37 | 91.2 Ų | 91.2 | 31% | 0.306 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F418 C423 K427 I428 L429 | F418-A425 HydrophobicContact CE1-CB 3.95Å; F418-A425 HydrophobicContact CZ-CB 4.28Å; C423-A425 PolarHBondContact O-N 3.18Å; A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 3.33Å; A425-I428 PolarHBondContact O-N 2.92Å; A425-I428 VanDerWaalsContact O-N 3.15Å; A425-L429 HydrophobicContact CB-CD1 4.04Å; A425-L429 WeakPolarHBondContact O-CB 3.24Å; A425-L429 PolarHBondContact O-N 3.49Å |
| 426 | T | 67.2 | Low | 67.8 | Low | 88 Ų | 88 | 90.6 Ų | 90.6 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | -173.5 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | D424 I428 V430 | D424-T426 PolarHBondContact O-N 3.31Å; T426-I428 VanDerWaalsContact C-N 3.33Å; T426-I428 PolarHBondContact O-N 2.92Å; T426-V430 VanDerWaalsContact O-CG2 3.23Å; T426-V430 WeakPolarHBondContact O-CG2 3.49Å; T426-V430 PolarHBondContact O-N 3.49Å; T426-V430 VanDerWaalsContact O-N 3.13Å |
| 427 | K | 64.5 | Low | 67 | Low | 122 Ų | 122 | 90.7 Ų | 90.7 | 53% | 0.53 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.9 | -33.6 | 177.4 | -69.6 | 180 | -178 | 171.7 | 0 | 112.8 | A425 Q431 | A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 3.33Å; K427-Q431 WeakPolarHBondContact O-CG 3.2Å; K427-Q431 PolarHBondContact O-N 3.41Å |
| 428 | I | 62.3 | Low | 66.3 | Low | 5 Ų | 5 | 87.6 Ų | 87.6 | 3% | 0.026 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -77.2 | -44.5 | 179 | -54 | -179 | 0 | 0 | 0 | 110 | F418 A425 T426 V430 Q431 L432 Y446 I449 | F418-I428 HydrophobicContact CE2-CD1 3.73Å; F418-I428 HydrophobicContact CZ-CD1 3.81Å; A425-I428 PolarHBondContact O-N 2.92Å; A425-I428 VanDerWaalsContact O-N 3.15Å; T426-I428 VanDerWaalsContact C-N 3.33Å; T426-I428 PolarHBondContact O-N 2.92Å; I428-V430 VanDerWaalsContact C-N 3.31Å; I428-V430 PolarHBondContact O-N 3.18Å; I428-Q431 PolarHBondContact O-N 2.94Å; I428-L432 HydrophobicContact CG2-CD1 3.53Å; I428-L432 WeakPolarHBondContact O-CB 3.19Å; I428-L432 PolarHBondContact O-N 2.91Å; I428-Y446 HydrophobicContact CD1-CD1 3.45Å; I428-Y446 VanDerWaalsContact CD1-CD1 3.45Å; I428-Y446 HydrophobicContact CD1-CD2 4.31Å; I428-Y446 HydrophobicContact CD1-CE1 3.4Å; I428-Y446 HydrophobicContact CD1-CE2 4.25Å; I428-Y446 HydrophobicContact CD1-CG 3.92Å; I428-Y446 HydrophobicContact CG2-CE2 3.94Å; I428-I449 HydrophobicContact CD1-CD1 3.41Å; I428-I449 VanDerWaalsContact CD1-CD1 3.41Å; I428-I449 HydrophobicContact CG1-CD1 3.12Å |
| 429 | L | 62.1 | Low | 65.9 | Low | 83 Ų | 83 | 89.4 Ų | 89.4 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 178.8 | -84 | 156.9 | 0 | 0 | 0 | 112.8 | A425 G433 | A425-L429 HydrophobicContact CB-CD1 4.04Å; A425-L429 WeakPolarHBondContact O-CB 3.24Å; A425-L429 PolarHBondContact O-N 3.49Å; L429-G433 PolarHBondContact O-N 3.23Å |
| 430 | V | 63.3 | Low | 65.4 | Low | 127 Ų | 127 | 87.1 Ų | 87.1 | 77% | 0.77 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -72 | -32.8 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 112.3 | T426 I428 | T426-V430 VanDerWaalsContact O-CG2 3.23Å; T426-V430 WeakPolarHBondContact O-CG2 3.49Å; T426-V430 PolarHBondContact O-N 3.49Å; T426-V430 VanDerWaalsContact O-N 3.13Å; I428-V430 VanDerWaalsContact C-N 3.31Å; I428-V430 PolarHBondContact O-N 3.18Å |
| 431 | Q | 58.9 | Low | 65.1 | Low | 149 Ų | 149 | 85.1 Ų | 85.1 | 70% | 0.696 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -88.8 | -25.8 | -176.9 | -73.6 | -175.5 | -21.2 | 0 | 0 | 114.3 | K427 I428 | K427-Q431 WeakPolarHBondContact O-CG 3.2Å; K427-Q431 PolarHBondContact O-N 3.41Å; I428-Q431 PolarHBondContact O-N 2.94Å |
| 432 | L | 58.3 | Low | 65 | Low | 69 Ų | 69 | 83.5 Ų | 83.5 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -118.6 | -4.1 | -168.4 | -78.2 | 146.8 | 0 | 0 | 0 | 115.6 | I428 N442 | I428-L432 HydrophobicContact CG2-CD1 3.53Å; I428-L432 WeakPolarHBondContact O-CB 3.19Å; I428-L432 PolarHBondContact O-N 2.91Å; L432-N442 HydrophobicContact CD1-CB 3.86Å; L432-N442 HydrophobicContact CD2-CB 4.1Å |
| 433 | G | 51.3 | Low | 65.3 | Low | 47 Ų | 47 | 78 Ų | 78 | 49% | 0.485 | 43% | 0.433 | S | S | . | . | trans | 70.3 | 109.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L429 T435 | L429-G433 PolarHBondContact O-N 3.23Å; G433-T435 VanDerWaalsContact C-N 3.28Å; G433-T435 PolarHBondContact O-N 2.87Å | ||
| 434 | E | 48.8 | Very low | 65.8 | Low | 189 Ų | 189 | 81.4 Ų | 81.4 | 88% | 0.883 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 51.2 | -26.1 | 161.8 | -68.8 | -173.8 | 162.5 | 0 | 0 | 122 | G436 | E434-G436 PolarHBondContact O-N 2.85Š|
| 435 | T | 54.3 | Low | 66.4 | Low | 93 Ų | 93 | 80.3 Ų | 80.3 | 57% | 0.571 | 45% | 0.447 | S | S | * | . | trans | -97.7 | 91.4 | 178.6 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | G433 K437 | G433-T435 VanDerWaalsContact C-N 3.28Å; G433-T435 PolarHBondContact O-N 2.87Å; T435-K437 PolarHBondContact O-N 3.14Å | ||
| 436 | G | 59.7 | Low | 67.2 | Low | 49 Ų | 49 | 79.1 Ų | 79.1 | 51% | 0.505 | 43% | 0.434 | S | S | . | . | trans | -64.3 | 27.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E434 | E434-G436 PolarHBondContact O-N 2.85Š| ||
| 437 | K | 67.3 | Low | 68 | Low | 157 Ų | 157 | 79.2 Ų | 79.2 | 68% | 0.683 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -101.6 | 143.6 | 176.5 | -66.7 | -174.7 | 178.7 | -179.4 | 0 | 109.8 | T435 T439 N442 | T435-K437 PolarHBondContact O-N 3.14Å; K437-T439 PolarHBondContact O-N 3.47Å; K437-N442 PolarHBondContact O-ND2 2.85Å |
| 438 | V | 70.3 | Confident | 68.9 | Low | 16 Ų | 16 | 76 Ų | 76 | 10% | 0.097 | 42% | 0.423 | C | S | . | . | trans | -75.5 | 115.6 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | K411 E415 N442 L443 Y446 | K411-V438 HydrophobicContact CB-CG1 4.39Å; K411-V438 HydrophobicContact CG-CG1 4.26Å; E415-V438 HydrophobicContact CB-CG2 4.04Å; E415-V438 HydrophobicContact CG-CG2 4.35Å; V438-N442 VanDerWaalsContact CA-OD1 3.31Å; V438-N442 WeakPolarHBondContact CA-OD1 3.47Å; V438-L443 HydrophobicContact CG1-CB 4.46Å; V438-L443 HydrophobicContact CG1-CD1 3.32Å; V438-L443 HydrophobicContact CG1-CG 4.49Å; V438-Y446 HydrophobicContact CB-CD2 4.46Å; V438-Y446 HydrophobicContact CB-CE2 4.38Å; V438-Y446 HydrophobicContact CG1-CD2 4.09Å; V438-Y446 HydrophobicContact CG1-CE2 4.47Å; V438-Y446 HydrophobicContact CG2-CD1 4.24Å; V438-Y446 HydrophobicContact CG2-CD2 4.07Å; V438-Y446 HydrophobicContact CG2-CE1 4.09Å; V438-Y446 HydrophobicContact CG2-CE2 3.93Å; V438-Y446 HydrophobicContact CG2-CG 4.24Å | ||
| 439 | T | 74.4 | Confident | 69.8 | Low | 58 Ų | 58 | 77.5 Ų | 77.5 | 36% | 0.356 | 43% | 0.431 | S | S | . | . | trans | -112.3 | 164.3 | 175.3 | 66.5 | 0 | 0 | 0 | 0 | 110.2 | K437 I441 N442 L443 | K437-T439 PolarHBondContact O-N 3.47Å; T439-I441 PolarHBondContact O-N 2.88Å; T439-N442 PolarHBondContact N-ND2 2.88Å; T439-N442 PolarHBondContact N-OD1 3.19Å; T439-N442 PolarHBondContact O-N 3.33Å; T439-N442 VanDerWaalsContact O-N 3.08Å; T439-N442 PolarHBondContact O-OD1 3.44Å; T439-N442 PolarHBondContact OG1-ND2 3.47Å; T439-L443 PolarHBondContact O-N 2.86Å | ||
| 440 | D | 71.8 | Confident | 70.8 | Confident | 83 Ų | 83 | 74.4 Ų | 74.4 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -31.7 | -177.2 | -65.8 | -46.8 | 0 | 0 | 0 | 113.7 | L407 K411 | L407-D440 WeakPolarHBondContact CD2-OD1 3.3Å; L407-D440 WeakPolarHBondContact CG-OD1 3.33Å; K411-D440 VanDerWaalsContact CE-CG 3.4Å; K411-D440 WeakPolarHBondContact CE-OD1 3.41Å; K411-D440 IonicContact NZ-OD1 3.74Å; K411-D440 PolarHBondContact NZ-OD1 3.47Å; K411-D440 IonicContact NZ-OD2 2.69Å; K411-D440 PolarHBondContact NZ-OD2 3.13Å |
| 441 | I | 76.8 | Confident | 71.9 | Confident | 140 Ų | 140 | 74.2 Ų | 74.2 | 72% | 0.718 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -32.4 | -179.8 | -57.3 | 171.2 | 0 | 0 | 0 | 110.8 | T439 Q445 | T439-I441 PolarHBondContact O-N 2.88Å; I441-Q445 PolarHBondContact O-OE1 2.93Å; I441-Q445 VanDerWaalsContact O-OE1 3.07Å |
| 442 | N | 76.6 | Confident | 73.1 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -13.4 | -175 | 75.2 | 24.2 | 0 | 0 | 0 | 114 | L432 K437 V438 T439 P444 Q445 Y446 | L432-N442 HydrophobicContact CD1-CB 3.86Å; L432-N442 HydrophobicContact CD2-CB 4.1Å; K437-N442 PolarHBondContact O-ND2 2.85Å; V438-N442 VanDerWaalsContact CA-OD1 3.31Å; V438-N442 WeakPolarHBondContact CA-OD1 3.47Å; T439-N442 PolarHBondContact N-ND2 2.88Å; T439-N442 PolarHBondContact N-OD1 3.19Å; T439-N442 PolarHBondContact O-N 3.33Å; T439-N442 VanDerWaalsContact O-N 3.08Å; T439-N442 PolarHBondContact O-OD1 3.44Å; T439-N442 PolarHBondContact OG1-ND2 3.47Å; N442-P444 VanDerWaalsContact C-CD 3.42Å; N442-P444 VanDerWaalsContact C-N 3.32Å; N442-Q445 PolarHBondContact O-N 3.36Å; N442-Q445 PolarHBondContact O-OE1 3.28Å; N442-Y446 HydrophobicContact CB-CD2 4.27Å; N442-Y446 HydrophobicContact CB-CE2 4.2Å; N442-Y446 VanDerWaalsContact O-CD2 3.31Å; N442-Y446 WeakPolarHBondContact O-CD2 3.47Å; N442-Y446 PolarHBondContact O-N 2.75Å; N442-Y446 VanDerWaalsContact O-N 3.08Å; N442-Y446 WeakPolarHBondContact OD1-CD2 3.43Å; N442-Y446 WeakPolarHBondContact OD1-CE2 3.43Å |
| 443 | L | 80.3 | Confident | 74.3 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -51.4 | -42.2 | -179.8 | -164.6 | 74.2 | 0 | 0 | 0 | 113 | L407 L410 K411 V414 V438 T439 Y446 F447 | L407-L443 HydrophobicContact CD1-CD2 4.28Å; L410-L443 HydrophobicContact CD2-CD2 4.07Å; K411-L443 HydrophobicContact CG-CD1 4.21Å; V414-L443 HydrophobicContact CB-CD1 4.27Å; V414-L443 HydrophobicContact CG1-CD1 4.27Å; V414-L443 HydrophobicContact CG2-CD1 4.17Å; V438-L443 HydrophobicContact CG1-CB 4.46Å; V438-L443 HydrophobicContact CG1-CD1 3.32Å; V438-L443 HydrophobicContact CG1-CG 4.49Å; T439-L443 PolarHBondContact O-N 2.86Å; L443-Y446 PolarHBondContact O-N 2.94Å; L443-F447 HydrophobicContact CD1-CE2 4.37Å; L443-F447 HydrophobicContact CD2-CE2 4Å; L443-F447 HydrophobicContact CG-CD2 4.2Å; L443-F447 HydrophobicContact CG-CE2 3.74Å; L443-F447 VanDerWaalsContact O-CD2 3.25Å; L443-F447 WeakPolarHBondContact O-CD2 3.34Å; L443-F447 PolarHBondContact O-N 3.47Å |
| 444 | P | 82.4 | Confident | 75.8 | Confident | 82 Ų | 82 | 73 Ų | 73 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 176.1 | -21.5 | 35.1 | 0 | 0 | 0 | 113.6 | N442 F447 A448 | N442-P444 VanDerWaalsContact C-CD 3.42Å; N442-P444 VanDerWaalsContact C-N 3.32Å; P444-F447 PolarHBondContact O-N 3.26Å; P444-A448 PolarHBondContact O-N 3.44Å |
| 445 | Q | 79.4 | Confident | 77.5 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 35% | 0.346 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 176.2 | -67.6 | 91.3 | -16.2 | 0 | 0 | 111.6 | I441 N442 F447 A448 I449 | I441-Q445 PolarHBondContact O-OE1 2.93Å; I441-Q445 VanDerWaalsContact O-OE1 3.07Å; N442-Q445 PolarHBondContact O-N 3.36Å; N442-Q445 PolarHBondContact O-OE1 3.28Å; Q445-F447 VanDerWaalsContact C-N 3.34Å; Q445-A448 PolarHBondContact O-N 2.86Å; Q445-I449 WeakPolarHBondContact O-CG1 3.22Å; Q445-I449 PolarHBondContact O-N 3.36Å |
| 446 | Y | 81.1 | Confident | 78.9 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 172.9 | -83.9 | -82 | 0 | 0 | 0 | 111.4 | F418 I428 V438 N442 L443 I449 I450 | F418-Y446 HydrophobicContact CD1-CE1 4.34Å; F418-Y446 AromaticContact CD2-CD1 3.57Å; F418-Y446 HydrophobicContact CD2-CD1 3.57Å; F418-Y446 HydrophobicContact CD2-CE1 4.09Å; F418-Y446 HydrophobicContact CE1-CE1 4.33Å; F418-Y446 AromaticContact CE2-CD1 3.72Å; F418-Y446 HydrophobicContact CE2-CD1 3.72Å; F418-Y446 HydrophobicContact CE2-CE1 4.05Å; F418-Y446 HydrophobicContact CG-CD1 4.03Å; F418-Y446 HydrophobicContact CG-CE1 4.23Å; F418-Y446 HydrophobicContact CZ-CD1 4.32Å; F418-Y446 HydrophobicContact CZ-CE1 4.18Å; I428-Y446 HydrophobicContact CD1-CD1 3.45Å; I428-Y446 VanDerWaalsContact CD1-CD1 3.45Å; I428-Y446 HydrophobicContact CD1-CD2 4.31Å; I428-Y446 HydrophobicContact CD1-CE1 3.4Å; I428-Y446 HydrophobicContact CD1-CE2 4.25Å; I428-Y446 HydrophobicContact CD1-CG 3.92Å; I428-Y446 HydrophobicContact CG2-CE2 3.94Å; V438-Y446 HydrophobicContact CB-CD2 4.46Å; V438-Y446 HydrophobicContact CB-CE2 4.38Å; V438-Y446 HydrophobicContact CG1-CD2 4.09Å; V438-Y446 HydrophobicContact CG1-CE2 4.47Å; V438-Y446 HydrophobicContact CG2-CD1 4.24Å; V438-Y446 HydrophobicContact CG2-CD2 4.07Å; V438-Y446 HydrophobicContact CG2-CE1 4.09Å; V438-Y446 HydrophobicContact CG2-CE2 3.93Å; V438-Y446 HydrophobicContact CG2-CG 4.24Å; N442-Y446 HydrophobicContact CB-CD2 4.27Å; N442-Y446 HydrophobicContact CB-CE2 4.2Å; N442-Y446 VanDerWaalsContact O-CD2 3.31Å; N442-Y446 WeakPolarHBondContact O-CD2 3.47Å; N442-Y446 PolarHBondContact O-N 2.75Å; N442-Y446 VanDerWaalsContact O-N 3.08Å; N442-Y446 WeakPolarHBondContact OD1-CD2 3.43Å; N442-Y446 WeakPolarHBondContact OD1-CE2 3.43Å; L443-Y446 PolarHBondContact O-N 2.94Å; Y446-I449 PolarHBondContact O-N 3.39Å; Y446-I450 VanDerWaalsContact O-CG1 3.3Å; Y446-I450 WeakPolarHBondContact O-CG1 3.18Å; Y446-I450 PolarHBondContact O-N 3.19Å |
| 447 | F | 84.4 | Confident | 80 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 174.8 | -78.2 | -55.2 | 0 | 0 | 0 | 112.8 | L410 V414 L443 P444 Q445 I449 I450 E451 | L410-F447 HydrophobicContact CD1-CZ 4.26Å; L410-F447 HydrophobicContact CD2-CZ 4.35Å; L410-F447 HydrophobicContact CG-CZ 4.38Å; V414-F447 HydrophobicContact CG2-CD1 4.37Å; V414-F447 HydrophobicContact CG2-CE1 3.46Å; V414-F447 VanDerWaalsContact CG2-CE1 3.46Å; V414-F447 HydrophobicContact CG2-CE2 4.32Å; V414-F447 HydrophobicContact CG2-CZ 3.43Å; V414-F447 VanDerWaalsContact CG2-CZ 3.43Å; L443-F447 HydrophobicContact CD1-CE2 4.37Å; L443-F447 HydrophobicContact CD2-CE2 4Å; L443-F447 HydrophobicContact CG-CD2 4.2Å; L443-F447 HydrophobicContact CG-CE2 3.74Å; L443-F447 VanDerWaalsContact O-CD2 3.25Å; L443-F447 WeakPolarHBondContact O-CD2 3.34Å; L443-F447 PolarHBondContact O-N 3.47Å; P444-F447 PolarHBondContact O-N 3.26Å; Q445-F447 VanDerWaalsContact C-N 3.34Å; F447-I449 PolarHBondContact O-N 2.97Å; F447-I450 PolarHBondContact O-N 2.9Å; F447-E451 WeakPolarHBondContact O-CB 3.45Å; F447-E451 PolarHBondContact O-N 2.92Å |
| 448 | A | 83.4 | Confident | 80.7 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 45% | 0.446 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.8 | -34.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P444 Q445 K452 | P444-A448 PolarHBondContact O-N 3.44Å; Q445-A448 PolarHBondContact O-N 2.86Å; A448-K452 WeakPolarHBondContact O-CB 3.42Å; A448-K452 PolarHBondContact O-N 2.66Å |
| 449 | I | 82.1 | Confident | 81.2 | Confident | 38 Ų | 38 | 68.4 Ų | 68.4 | 20% | 0.195 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.8 | -40.8 | 178.5 | -69.5 | 164.2 | 0 | 0 | 0 | 111.3 | F418 C423 I428 Q445 Y446 F447 E451 K452 K453 | F418-I449 HydrophobicContact CE2-CB 4.47Å; F418-I449 HydrophobicContact CE2-CG2 3.91Å; C423-I449 HydrophobicContact CB-CG2 4.17Å; I428-I449 HydrophobicContact CD1-CD1 3.41Å; I428-I449 VanDerWaalsContact CD1-CD1 3.41Å; I428-I449 HydrophobicContact CG1-CD1 3.12Å; Q445-I449 WeakPolarHBondContact O-CG1 3.22Å; Q445-I449 PolarHBondContact O-N 3.36Å; Y446-I449 PolarHBondContact O-N 3.39Å; F447-I449 PolarHBondContact O-N 2.97Å; I449-E451 VanDerWaalsContact C-N 3.31Å; I449-K452 PolarHBondContact O-N 3.22Å; I449-K453 WeakPolarHBondContact O-CB 3.35Å; I449-K453 PolarHBondContact O-N 3.5Å |
| 450 | I | 82.8 | Confident | 81.6 | Confident | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.092 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 172.7 | -68.8 | 168.1 | 0 | 0 | 0 | 110 | V414 L417 F418 I421 Y446 F447 K453 T454 | V414-I450 HydrophobicContact CG1-CD1 3.88Å; L417-I450 HydrophobicContact CB-CD1 4.5Å; F418-I450 HydrophobicContact CB-CD1 4.27Å; F418-I450 HydrophobicContact CD2-CD1 4.19Å; F418-I450 HydrophobicContact CD2-CG1 3.89Å; I421-I450 HydrophobicContact CD1-CG2 4.06Å; Y446-I450 VanDerWaalsContact O-CG1 3.3Å; Y446-I450 WeakPolarHBondContact O-CG1 3.18Å; Y446-I450 PolarHBondContact O-N 3.19Å; F447-I450 PolarHBondContact O-N 2.9Å; I450-K453 PolarHBondContact O-N 3.26Å; I450-T454 VanDerWaalsContact O-CB 3.3Å; I450-T454 WeakPolarHBondContact O-CB 3.47Å; I450-T454 PolarHBondContact O-N 3.49Å; I450-T454 PolarHBondContact O-OG1 3.19Å |
| 451 | E | 84.9 | Confident | 81.8 | Confident | 123 Ų | 123 | 70.5 Ų | 70.5 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.4 | -50.2 | 177.4 | -175.6 | -177.9 | 178.6 | 0 | 0 | 111 | F447 I449 K453 T454 N455 | F447-E451 WeakPolarHBondContact O-CB 3.45Å; F447-E451 PolarHBondContact O-N 2.92Å; I449-E451 VanDerWaalsContact C-N 3.31Å; E451-K453 PolarHBondContact O-N 3.42Å; E451-T454 PolarHBondContact O-N 3.34Å; E451-N455 WeakPolarHBondContact O-CB 3.37Å; E451-N455 VanDerWaalsContact O-CG 3.26Å; E451-N455 PolarHBondContact O-N 3.31Å; E451-N455 PolarHBondContact O-ND2 2.88Å |
| 452 | K | 85.1 | Confident | 81.7 | Confident | 121 Ų | 121 | 65.2 Ų | 65.2 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.4 | -47.9 | 176.9 | -176.1 | 173.1 | -179.8 | 165.4 | 0 | 112 | A448 I449 T454 N455 D456 | A448-K452 WeakPolarHBondContact O-CB 3.42Å; A448-K452 PolarHBondContact O-N 2.66Å; I449-K452 PolarHBondContact O-N 3.22Å; K452-T454 VanDerWaalsContact C-N 3.32Å; K452-T454 PolarHBondContact O-N 3.16Å; K452-N455 PolarHBondContact O-N 3.02Å; K452-D456 VanDerWaalsContact O-CG 3.24Å; K452-D456 PolarHBondContact O-N 3.19Å |
| 453 | K | 82.5 | Confident | 81.6 | Confident | 66 Ų | 66 | 72 Ų | 72 | 29% | 0.287 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | -179.2 | -166.5 | 65.5 | 171.8 | -173 | 0 | 112 | I421 I449 I450 E451 D456 L457 | I421-K453 HydrophobicContact CG2-CB 4.28Å; I421-K453 HydrophobicContact CG2-CG 3.69Å; I449-K453 WeakPolarHBondContact O-CB 3.35Å; I449-K453 PolarHBondContact O-N 3.5Å; I450-K453 PolarHBondContact O-N 3.26Å; E451-K453 PolarHBondContact O-N 3.42Å; K453-D456 PolarHBondContact O-N 3.5Å; K453-L457 WeakPolarHBondContact O-CB 3.49Å; K453-L457 WeakPolarHBondContact O-CG 3.25Å; K453-L457 PolarHBondContact O-N 3.38Å |
| 454 | T | 84 | Confident | 81.3 | Confident | 52 Ų | 52 | 79.6 Ų | 79.6 | 32% | 0.319 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | I450 E451 K452 D456 L457 L458 | I450-T454 VanDerWaalsContact O-CB 3.3Å; I450-T454 WeakPolarHBondContact O-CB 3.47Å; I450-T454 PolarHBondContact O-N 3.49Å; I450-T454 PolarHBondContact O-OG1 3.19Å; E451-T454 PolarHBondContact O-N 3.34Å; K452-T454 VanDerWaalsContact C-N 3.32Å; K452-T454 PolarHBondContact O-N 3.16Å; T454-D456 PolarHBondContact O-N 3.2Å; T454-L457 PolarHBondContact O-N 3.32Å; T454-L458 HydrophobicContact CG2-CD1 4.22Å; T454-L458 WeakPolarHBondContact O-CB 3.49Å; T454-L458 VanDerWaalsContact O-CG 3.3Å; T454-L458 WeakPolarHBondContact O-CG 3.36Å; T454-L458 PolarHBondContact O-N 2.79Å |
| 455 | N | 84.8 | Confident | 80.9 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 174.9 | -69.5 | -19.4 | 0 | 0 | 0 | 112 | E451 K452 L458 L459 | E451-N455 WeakPolarHBondContact O-CB 3.37Å; E451-N455 VanDerWaalsContact O-CG 3.26Å; E451-N455 PolarHBondContact O-N 3.31Å; E451-N455 PolarHBondContact O-ND2 2.88Å; K452-N455 PolarHBondContact O-N 3.02Å; N455-L458 PolarHBondContact O-N 2.86Å; N455-L459 WeakPolarHBondContact O-CB 3.49Å; N455-L459 PolarHBondContact O-N 2.96Å |
| 456 | D | 83.9 | Confident | 80.5 | Confident | 74 Ų | 74 | 82.5 Ų | 82.5 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.6 | -66 | -19.5 | 0 | 0 | 0 | 111.6 | K452 K453 T454 L459 L460 | K452-D456 VanDerWaalsContact O-CG 3.24Å; K452-D456 PolarHBondContact O-N 3.19Å; K453-D456 PolarHBondContact O-N 3.5Å; T454-D456 PolarHBondContact O-N 3.2Å; D456-L459 PolarHBondContact O-N 3.33Å; D456-L460 WeakPolarHBondContact O-CG 3.23Å; D456-L460 PolarHBondContact O-N 3.44Å |
| 457 | L | 83.1 | Confident | 80 | Confident | 83 Ų | 83 | 85.6 Ų | 85.6 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.4 | -75.4 | 173.4 | 0 | 0 | 0 | 112.2 | I421 K453 T454 L459 L460 E461 | I421-L457 HydrophobicContact CG2-CD1 3.89Å; K453-L457 WeakPolarHBondContact O-CB 3.49Å; K453-L457 WeakPolarHBondContact O-CG 3.25Å; K453-L457 PolarHBondContact O-N 3.38Å; T454-L457 PolarHBondContact O-N 3.32Å; L457-L459 VanDerWaalsContact C-N 3.35Å; L457-L460 PolarHBondContact O-N 3.09Å; L457-E461 WeakPolarHBondContact O-CB 3.33Å; L457-E461 PolarHBondContact O-N 3.21Å |
| 458 | L | 80.3 | Confident | 79.1 | Confident | 68 Ų | 68 | 86.3 Ų | 86.3 | 36% | 0.356 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 173.5 | -76.2 | 168.5 | 0 | 0 | 0 | 110.1 | T454 N455 L460 E461 T462 | T454-L458 HydrophobicContact CG2-CD1 4.22Å; T454-L458 WeakPolarHBondContact O-CB 3.49Å; T454-L458 VanDerWaalsContact O-CG 3.3Å; T454-L458 WeakPolarHBondContact O-CG 3.36Å; T454-L458 PolarHBondContact O-N 2.79Å; N455-L458 PolarHBondContact O-N 2.86Å; L458-L460 VanDerWaalsContact C-N 3.34Å; L458-L460 PolarHBondContact O-N 2.86Å; L458-E461 WeakPolarHBondContact O-CA 3.34Å; L458-E461 WeakPolarHBondContact O-CB 3.47Å; L458-E461 PolarHBondContact O-N 3.5Å; L458-E461 VanDerWaalsContact O-N 3.07Å; L458-T462 WeakPolarHBondContact O-CG2 3.3Å; L458-T462 PolarHBondContact O-N 2.96Å |
| 459 | L | 81.7 | Confident | 78 | Confident | 118 Ų | 118 | 89.2 Ų | 89.2 | 62% | 0.618 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -57.8 | -44.7 | 177.6 | -167.8 | 74.3 | 0 | 0 | 0 | 112 | N455 D456 L457 E461 T462 Y463 | N455-L459 WeakPolarHBondContact O-CB 3.49Å; N455-L459 PolarHBondContact O-N 2.96Å; D456-L459 PolarHBondContact O-N 3.33Å; L457-L459 VanDerWaalsContact C-N 3.35Å; L459-E461 VanDerWaalsContact C-N 3.3Å; L459-E461 PolarHBondContact O-N 2.85Å; L459-T462 PolarHBondContact O-N 2.93Å; L459-T462 PolarHBondContact O-OG1 3.26Å; L459-Y463 PolarHBondContact O-N 2.97Å |
| 460 | L | 82.1 | Confident | 76.8 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62 | -37.8 | 175.6 | -72.1 | 173.2 | 0 | 0 | 0 | 112.5 | D456 L457 L458 Y463 R464 | D456-L460 WeakPolarHBondContact O-CG 3.23Å; D456-L460 PolarHBondContact O-N 3.44Å; L457-L460 PolarHBondContact O-N 3.09Å; L458-L460 VanDerWaalsContact C-N 3.34Å; L458-L460 PolarHBondContact O-N 2.86Å; L460-Y463 PolarHBondContact O-N 3.41Å; L460-R464 WeakPolarHBondContact O-CB 3.33Å; L460-R464 PolarHBondContact O-N 3.47Å |
| 461 | E | 77.4 | Confident | 75.4 | Confident | 71 Ų | 71 | 97.1 Ų | 97.1 | 33% | 0.332 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 175.8 | -161.9 | -88.8 | 177.2 | 0 | 0 | 111.6 | L457 L458 L459 Y463 R464 R465 | L457-E461 WeakPolarHBondContact O-CB 3.33Å; L457-E461 PolarHBondContact O-N 3.21Å; L458-E461 WeakPolarHBondContact O-CA 3.34Å; L458-E461 WeakPolarHBondContact O-CB 3.47Å; L458-E461 PolarHBondContact O-N 3.5Å; L458-E461 VanDerWaalsContact O-N 3.07Å; L459-E461 VanDerWaalsContact C-N 3.3Å; L459-E461 PolarHBondContact O-N 2.85Å; E461-Y463 VanDerWaalsContact C-N 3.32Å; E461-Y463 PolarHBondContact O-N 3.49Å; E461-R464 PolarHBondContact O-N 2.82Å; E461-R465 VanDerWaalsContact CD-NE 3.29Å; E461-R465 PolarHBondContact O-N 2.85Å; E461-R465 IonicContact OE1-CZ 3.58Å; E461-R465 IonicContact OE1-NE 3.7Å; E461-R465 PolarHBondContact OE1-NE 3.42Å; E461-R465 IonicContact OE1-NH2 3.44Å; E461-R465 PolarHBondContact OE1-NH2 3.27Å; E461-R465 IonicContact OE2-CZ 3.48Å; E461-R465 IonicContact OE2-NE 3.96Å; E461-R465 PolarHBondContact OE2-NE 3.35Å; E461-R465 IonicContact OE2-NH2 3.51Å |
| 462 | T | 73.8 | Confident | 73.7 | Confident | 30 Ų | 30 | 94.2 Ų | 94.2 | 18% | 0.184 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 173.2 | 75.1 | 0 | 0 | 0 | 0 | 111.4 | L458 L459 R464 R465 I466 P483 | L458-T462 WeakPolarHBondContact O-CG2 3.3Å; L458-T462 PolarHBondContact O-N 2.96Å; L459-T462 PolarHBondContact O-N 2.93Å; L459-T462 PolarHBondContact O-OG1 3.26Å; T462-R464 VanDerWaalsContact C-N 3.35Å; T462-R464 PolarHBondContact O-N 3.45Å; T462-R465 PolarHBondContact O-N 3.34Å; T462-I466 VanDerWaalsContact O-CG1 3.28Å; T462-I466 WeakPolarHBondContact O-CG1 3.32Å; T462-I466 PolarHBondContact O-N 3Å; T462-P483 HydrophobicContact CG2-CB 3.32Å; T462-P483 HydrophobicContact CG2-CG 3.3Å |
| 463 | Y | 74.1 | Confident | 71.9 | Confident | 145 Ų | 145 | 98.5 Ų | 98.5 | 57% | 0.569 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | -179.8 | -171.9 | -106 | 0 | 0 | 0 | 111.3 | L459 L460 E461 I466 L467 | L459-Y463 PolarHBondContact O-N 2.97Å; L460-Y463 PolarHBondContact O-N 3.41Å; E461-Y463 VanDerWaalsContact C-N 3.32Å; E461-Y463 PolarHBondContact O-N 3.49Å; Y463-I466 PolarHBondContact O-N 3.06Å; Y463-L467 HydrophobicContact CD1-CD1 3.74Å; Y463-L467 HydrophobicContact CD1-CG 4.41Å; Y463-L467 HydrophobicContact CE1-CD1 3.44Å; Y463-L467 VanDerWaalsContact CE1-CD1 3.44Å; Y463-L467 HydrophobicContact CE1-CG 4.13Å; Y463-L467 WeakPolarHBondContact O-CG 3.44Å; Y463-L467 PolarHBondContact O-N 3.44Å |
| 464 | R | 75.1 | Confident | 70 | Confident | 176 Ų | 176 | 99 Ų | 99 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 175.3 | -172.1 | 166.3 | 179.4 | 170.3 | -0.4 | 112.4 | L460 E461 T462 I466 L467 D468 | L460-R464 WeakPolarHBondContact O-CB 3.33Å; L460-R464 PolarHBondContact O-N 3.47Å; E461-R464 PolarHBondContact O-N 2.82Å; T462-R464 VanDerWaalsContact C-N 3.35Å; T462-R464 PolarHBondContact O-N 3.45Å; R464-I466 VanDerWaalsContact C-N 3.31Å; R464-I466 PolarHBondContact O-N 2.79Å; R464-L467 PolarHBondContact O-N 3.15Å; R464-D468 WeakPolarHBondContact O-CB 3.26Å; R464-D468 VanDerWaalsContact O-CG 3.26Å; R464-D468 PolarHBondContact O-N 3.08Å |
| 465 | R | 72.3 | Confident | 68.2 | Low | 134 Ų | 134 | 106.2 Ų | 106.2 | 51% | 0.506 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 174.2 | -72.7 | -168.8 | -172.9 | -175.3 | 10.4 | 112.5 | E461 T462 D468 M469 | E461-R465 VanDerWaalsContact CD-NE 3.29Å; E461-R465 PolarHBondContact O-N 2.85Å; E461-R465 IonicContact OE1-CZ 3.58Å; E461-R465 IonicContact OE1-NE 3.7Å; E461-R465 PolarHBondContact OE1-NE 3.42Å; E461-R465 IonicContact OE1-NH2 3.44Å; E461-R465 PolarHBondContact OE1-NH2 3.27Å; E461-R465 IonicContact OE2-CZ 3.48Å; E461-R465 IonicContact OE2-NE 3.96Å; E461-R465 PolarHBondContact OE2-NE 3.35Å; E461-R465 IonicContact OE2-NH2 3.51Å; T462-R465 PolarHBondContact O-N 3.34Å; R465-D468 PolarHBondContact O-N 3.31Å; R465-M469 VanDerWaalsContact O-CG 3.3Å; R465-M469 WeakPolarHBondContact O-CG 3.23Å; R465-M469 PolarHBondContact O-N 2.88Å |
| 466 | I | 71.8 | Confident | 66.4 | Low | 83 Ų | 83 | 110.2 Ų | 110.2 | 43% | 0.426 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.4 | -44.7 | 175.8 | -67.7 | 163.8 | 0 | 0 | 0 | 110.3 | T462 Y463 R464 M469 E470 | T462-I466 VanDerWaalsContact O-CG1 3.28Å; T462-I466 WeakPolarHBondContact O-CG1 3.32Å; T462-I466 PolarHBondContact O-N 3Å; Y463-I466 PolarHBondContact O-N 3.06Å; R464-I466 VanDerWaalsContact C-N 3.31Å; R464-I466 PolarHBondContact O-N 2.79Å; I466-M469 WeakPolarHBondContact O-CB 3.19Å; I466-M469 PolarHBondContact O-N 3.34Å; I466-E470 PolarHBondContact O-N 2.73Å |
| 467 | L | 71 | Confident | 64.4 | Low | 76 Ų | 76 | 112.8 Ų | 112.8 | 40% | 0.398 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -39.7 | 175.6 | -73 | 170.9 | 0 | 0 | 0 | 112.9 | Y463 R464 M469 E470 G471 | Y463-L467 HydrophobicContact CD1-CD1 3.74Å; Y463-L467 HydrophobicContact CD1-CG 4.41Å; Y463-L467 HydrophobicContact CE1-CD1 3.44Å; Y463-L467 VanDerWaalsContact CE1-CD1 3.44Å; Y463-L467 HydrophobicContact CE1-CG 4.13Å; Y463-L467 WeakPolarHBondContact O-CG 3.44Å; Y463-L467 PolarHBondContact O-N 3.44Å; R464-L467 PolarHBondContact O-N 3.15Å; L467-M469 PolarHBondContact O-N 3.47Å; L467-E470 PolarHBondContact O-N 3.25Å; L467-E470 VanDerWaalsContact O-N 3.15Å; L467-G471 PolarHBondContact O-N 2.83Å |
| 468 | D | 65.2 | Low | 62.9 | Low | 104 Ų | 104 | 112.7 Ų | 112.7 | 56% | 0.556 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.4 | -27.5 | 176.3 | -69.3 | -24.3 | 0 | 0 | 0 | 111.5 | R464 R465 | R464-D468 WeakPolarHBondContact O-CB 3.26Å; R464-D468 VanDerWaalsContact O-CG 3.26Å; R464-D468 PolarHBondContact O-N 3.08Å; R465-D468 PolarHBondContact O-N 3.31Å |
| 469 | M | 59.7 | Low | 61.3 | Low | 115 Ų | 115 | 114.7 Ų | 114.7 | 57% | 0.567 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.6 | -29.6 | 171.5 | -73.6 | -178.5 | 68.1 | 0 | 0 | 113.2 | R465 I466 L467 G471 P478 | R465-M469 VanDerWaalsContact O-CG 3.3Å; R465-M469 WeakPolarHBondContact O-CG 3.23Å; R465-M469 PolarHBondContact O-N 2.88Å; I466-M469 WeakPolarHBondContact O-CB 3.19Å; I466-M469 PolarHBondContact O-N 3.34Å; L467-M469 PolarHBondContact O-N 3.47Å; M469-G471 VanDerWaalsContact C-N 3.31Å; M469-P478 HydrophobicContact CE-CG 4.43Å |
| 470 | E | 56.6 | Low | 59.8 | Low | 152 Ų | 152 | 117.6 Ų | 117.6 | 71% | 0.71 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.3 | -21.9 | 175.4 | -72.2 | 179 | 166.5 | 0 | 0 | 112.6 | I466 L467 | I466-E470 PolarHBondContact O-N 2.73Å; L467-E470 PolarHBondContact O-N 3.25Å; L467-E470 VanDerWaalsContact O-N 3.15Å |
| 471 | G | 53.6 | Low | 58.4 | Low | 71 Ų | 71 | 117.6 Ų | 117.6 | 73% | 0.732 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -88.1 | -11.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L467 M469 | L467-G471 PolarHBondContact O-N 2.83Å; M469-G471 VanDerWaalsContact C-N 3.31Å |
| 472 | A | 49.3 | Very low | 57 | Low | 61 Ų | 61 | 117.6 Ų | 117.6 | 50% | 0.504 | 62% | 0.616 | S | S | . | * | trans | -113.3 | 100.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A474 | A472-A474 PolarHBondContact O-N 3.39Š| ||
| 473 | E | 46.7 | Very low | 56 | Low | 211 Ų | 211 | 117.4 Ų | 117.4 | 99% | 0.986 | 62% | 0.615 | S | S | * | * | trans | -65.7 | 66.6 | 164.7 | -69.5 | -173.8 | 157.4 | 0 | 0 | 110.9 | ||||
| 474 | A | 44.4 | Very low | 54.8 | Low | 76 Ų | 76 | 118.5 Ų | 118.5 | 63% | 0.628 | 62% | 0.623 | S | S | * | * | trans | -116 | 116 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A472 I476 | A472-A474 PolarHBondContact O-N 3.39Å; A474-I476 PolarHBondContact O-N 2.85Å | ||
| 475 | E | 45.9 | Very low | 53.6 | Low | 205 Ų | 205 | 118.7 Ų | 118.7 | 96% | 0.958 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -61.8 | 28.6 | -173.9 | -79.6 | -177.8 | 140.1 | 0 | 0 | 117.1 | ||
| 476 | I | 46.9 | Very low | 52.1 | Low | 149 Ų | 149 | 114.7 Ų | 114.7 | 76% | 0.764 | 62% | 0.624 | S | S | * | * | trans | -138.1 | 103.1 | 173.9 | -50.6 | 175.2 | 0 | 0 | 0 | 108.9 | A474 P478 | A474-I476 PolarHBondContact O-N 2.85Å; I476-P478 WeakPolarHBondContact O-CD 3.38Å | ||
| 477 | T | 42.4 | Very low | 50.7 | Low | 128 Ų | 128 | 113.5 Ų | 113.5 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | trans | -61.1 | 113.4 | 167.9 | 41.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 478 | P | 50 | Low | 49.3 | Very low | 81 Ų | 81 | 113 Ų | 113 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | trans | -72.1 | 150.7 | 170.7 | 31.6 | -30.7 | 0 | 0 | 0 | 108.9 | M469 I476 F480 | M469-P478 HydrophobicContact CE-CG 4.43Å; I476-P478 WeakPolarHBondContact O-CD 3.38Å; P478-F480 PolarHBondContact O-N 2.78Å | ||
| 479 | P | 48.2 | Very low | 48.2 | Very low | 109 Ų | 109 | 112.5 Ų | 112.5 | 71% | 0.708 | 65% | 0.646 | S | S | * | * | trans | -60.5 | 132.4 | 178.2 | 23.7 | -30.3 | 0 | 0 | 0 | 109.8 | L481 | P479-L481 PolarHBondContact O-N 2.91Š| ||
| 480 | F | 49.6 | Very low | 47.5 | Very low | 180 Ų | 180 | 115.2 Ų | 115.2 | 79% | 0.789 | 66% | 0.662 | S | S | * | * | trans | -59.9 | 101.6 | 176 | -175.6 | -95.1 | 0 | 0 | 0 | 109.8 | P478 | P478-F480 PolarHBondContact O-N 2.78Š| ||
| 481 | L | 51.8 | Low | 46.7 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 59% | 0.592 | 66% | 0.661 | S | S | * | * | trans | -84.5 | 112.9 | 168.8 | -91.7 | 113.4 | 0 | 0 | 0 | 108.5 | P479 P483 | P479-L481 PolarHBondContact O-N 2.91Å; L481-P483 VanDerWaalsContact O-CD 3.27Å; L481-P483 WeakPolarHBondContact O-CD 3.5Å | ||
| 482 | N | 49.7 | Very low | 45.9 | Very low | 70 Ų | 70 | 120 Ų | 120 | 37% | 0.374 | 67% | 0.666 | S | S | . | * | trans | -53.1 | 119.8 | 175.6 | -170.9 | -10 | 0 | 0 | 0 | 110 | F484 W485 G486 | N482-F484 PolarHBondContact O-N 3.22Å; N482-F484 VanDerWaalsContact O-N 3.13Å; N482-F484 PolarHBondContact OD1-N 3.38Å; N482-W485 WeakPolarHBondContact O-CA 3.32Å; N482-W485 PolarHBondContact O-N 3.05Å; N482-G486 PolarHBondContact O-N 3.07Å | ||
| 483 | P | 51.7 | Low | 45.4 | Very low | 27 Ų | 27 | 122.7 Ų | 122.7 | 18% | 0.175 | 68% | 0.678 | C | S | . | * | G | 310 helix | trans | -61.6 | -22.5 | -177.8 | -29.6 | 41.4 | 0 | 0 | 0 | 113.9 | T462 L481 W485 G486 | T462-P483 HydrophobicContact CG2-CB 3.32Å; T462-P483 HydrophobicContact CG2-CG 3.3Å; L481-P483 VanDerWaalsContact O-CD 3.27Å; L481-P483 WeakPolarHBondContact O-CD 3.5Å; P483-W485 PolarHBondContact O-N 2.95Å; P483-G486 PolarHBondContact O-N 3.41Å |
| 484 | F | 50 | Low | 45 | Very low | 167 Ų | 167 | 117.8 Ų | 117.8 | 73% | 0.732 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -63.3 | -18.4 | 170.2 | -82 | -84.8 | 0 | 0 | 0 | 113.9 | N482 | N482-F484 PolarHBondContact O-N 3.22Å; N482-F484 VanDerWaalsContact O-N 3.13Å; N482-F484 PolarHBondContact OD1-N 3.38Å |
| 485 | W | 48.8 | Very low | 44.9 | Very low | 180 Ų | 180 | 122.3 Ų | 122.3 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -114.5 | 12.3 | -179.9 | -64.9 | 70.7 | 0 | 0 | 0 | 111.9 | N482 P483 G487 S488 | N482-W485 WeakPolarHBondContact O-CA 3.32Å; N482-W485 PolarHBondContact O-N 3.05Å; P483-W485 PolarHBondContact O-N 2.95Å; W485-G487 PolarHBondContact O-N 3.29Å; W485-S488 PolarHBondContact O-N 2.86Å; W485-S488 VanDerWaalsContact O-N 3.12Å; W485-S488 PolarHBondContact O-OG 3.4Å |
| 486 | G | 41.8 | Very low | 44.6 | Very low | 50 Ų | 50 | 118.7 Ų | 118.7 | 52% | 0.515 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | 3.8 | -176 | 0 | 0 | 0 | 0 | 0 | 116 | N482 P483 | N482-G486 PolarHBondContact O-N 3.07Å; P483-G486 PolarHBondContact O-N 3.41Å |
| 487 | G | 41.1 | Very low | 44.3 | Very low | 59 Ų | 59 | 118 Ų | 118 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -12.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114 | W485 A489 | W485-G487 PolarHBondContact O-N 3.29Å; G487-A489 VanDerWaalsContact C-N 3.34Å; G487-A489 PolarHBondContact O-N 2.78Å |
| 488 | S | 42.4 | Very low | 44.4 | Very low | 66 Ų | 66 | 121.1 Ų | 121.1 | 46% | 0.462 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -7 | -171.8 | -56.9 | 0 | 0 | 0 | 0 | 114.9 | W485 L490 L491 | W485-S488 PolarHBondContact O-N 2.86Å; W485-S488 VanDerWaalsContact O-N 3.12Å; W485-S488 PolarHBondContact O-OG 3.4Å; S488-L490 VanDerWaalsContact C-N 3.29Å; S488-L490 PolarHBondContact O-N 2.75Å; S488-L491 VanDerWaalsContact O-O 3.09Å |
| 489 | A | 42.5 | Very low | 43.6 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -15.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G487 | G487-A489 VanDerWaalsContact C-N 3.34Å; G487-A489 PolarHBondContact O-N 2.78Å |
| 490 | L | 43.8 | Very low | 43.4 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 90% | 0.901 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -102.8 | -6.5 | 176.7 | -67.9 | 176.3 | 0 | 0 | 0 | 113.6 | S488 | S488-L490 VanDerWaalsContact C-N 3.29Å; S488-L490 PolarHBondContact O-N 2.75Å |
| 491 | L | 39.5 | Very low | 42.8 | Very low | 132 Ų | 132 | 120 Ų | 120 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -102.8 | 107.7 | 170.6 | -67.1 | 172.6 | 0 | 0 | 0 | 106.9 | S488 | S488-L491 VanDerWaalsContact O-O 3.09Š|
| 492 | K | 37.7 | Very low | 42.1 | Very low | 192 Ų | 192 | 119.8 Ų | 119.8 | 84% | 0.835 | 67% | 0.671 | S | S | * | * | trans | -45.9 | 130.2 | 163.4 | -74.7 | -178.2 | 176.1 | -178.3 | 0 | 107.2 | P494 | K492-P494 WeakPolarHBondContact O-CD 3.35Š| ||
| 493 | P | 38 | Very low | 41.8 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | trans | -54.1 | 123.6 | 170.1 | 21.8 | -28.4 | 0 | 0 | 0 | 105.9 | E495 | P493-E495 PolarHBondContact O-N 2.94Š| ||
| 494 | P | 39 | Very low | 41.3 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | -56.8 | 133.2 | 173 | 24.3 | -30.2 | 0 | 0 | 0 | 106 | K492 | K492-P494 WeakPolarHBondContact O-CD 3.35Š| ||
| 495 | E | 41.6 | Very low | 41.1 | Very low | 172 Ų | 172 | 123.6 Ų | 123.6 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -42.5 | 138.4 | 168.4 | -74 | 177.8 | 159 | 0 | 0 | 108.1 | P493 I497 | P493-E495 PolarHBondContact O-N 2.94Å; E495-I497 VanDerWaalsContact C-N 3.29Å; E495-I497 PolarHBondContact O-N 2.96Å | ||
| 496 | P | 39.3 | Very low | 41.3 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | trans | -56.7 | 99.4 | -177.5 | 23.6 | -32.6 | 0 | 0 | 0 | 108.1 | K498 | P496-K498 PolarHBondContact O-N 3.49Š| ||
| 497 | I | 41.8 | Very low | 41.7 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | -61 | 114.3 | 170.6 | -63.5 | 170.3 | 0 | 0 | 0 | 102.9 | E495 V499 | E495-I497 VanDerWaalsContact C-N 3.29Å; E495-I497 PolarHBondContact O-N 2.96Å; I497-V499 PolarHBondContact O-N 3.5Å | ||
| 498 | K | 43.1 | Very low | 42.5 | Very low | 193 Ų | 193 | 123.2 Ų | 123.2 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | trans | -55.2 | 93 | 161 | -105 | -179.8 | 173.5 | 178.5 | 0 | 105.6 | P496 I500 | P496-K498 PolarHBondContact O-N 3.49Å; K498-I500 PolarHBondContact O-N 2.84Å | ||
| 499 | V | 34.9 | Very low | 43.1 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | trans | -67.2 | 93.6 | 166.6 | -179.8 | 0 | 0 | 0 | 0 | 104.1 | I497 P501 | I497-V499 PolarHBondContact O-N 3.5Å; V499-P501 VanDerWaalsContact O-CD 3.23Å; V499-P501 WeakPolarHBondContact O-CD 3.28Å | ||
| 500 | I | 43.6 | Very low | 43.8 | Very low | 138 Ų | 138 | 120.1 Ų | 120.1 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | trans | -63.7 | 112.7 | 157.4 | -57.8 | 169 | 0 | 0 | 0 | 102.8 | K498 | K498-I500 PolarHBondContact O-N 2.84Š| ||
| 501 | P | 36.8 | Very low | 44.4 | Very low | 90 Ų | 90 | 119.2 Ų | 119.2 | 58% | 0.584 | 68% | 0.683 | S | S | * | * | trans | -53.8 | 141.3 | 174.5 | 22.2 | -30.3 | 0 | 0 | 0 | 107.4 | V499 V503 | V499-P501 VanDerWaalsContact O-CD 3.23Å; V499-P501 WeakPolarHBondContact O-CD 3.28Å; P501-V503 PolarHBondContact O-N 2.74Å | ||
| 502 | P | 38 | Very low | 45.3 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 71% | 0.708 | 68% | 0.675 | S | S | * | * | trans | -51.5 | 124.1 | 171.8 | 22.8 | -30.9 | 0 | 0 | 0 | 106.4 | L504 | P502-L504 PolarHBondContact O-N 3.12Š| ||
| 503 | V | 42.7 | Very low | 46.2 | Very low | 129 Ų | 129 | 114.7 Ų | 114.7 | 78% | 0.782 | 66% | 0.657 | S | S | * | * | trans | -58.8 | 98.6 | 170.4 | 175.1 | 0 | 0 | 0 | 0 | 104.7 | P501 G505 | P501-V503 PolarHBondContact O-N 2.74Å; V503-G505 VanDerWaalsContact C-N 3.25Å; V503-G505 PolarHBondContact O-N 3.35Å | ||
| 504 | L | 40 | Very low | 47.2 | Very low | 158 Ų | 158 | 116.2 Ų | 116.2 | 83% | 0.827 | 66% | 0.659 | S | S | * | * | trans | -57.2 | 105.7 | 156.9 | -70.8 | 169.3 | 0 | 0 | 0 | 102.9 | P502 A506 | P502-L504 PolarHBondContact O-N 3.12Å; L504-A506 PolarHBondContact O-N 2.86Å | ||
| 505 | G | 47.5 | Very low | 48.1 | Very low | 58 Ų | 58 | 117.9 Ų | 117.9 | 60% | 0.598 | 66% | 0.662 | S | S | * | * | trans | -47.9 | 139.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | V503 D507 | V503-G505 VanDerWaalsContact C-N 3.25Å; V503-G505 PolarHBondContact O-N 3.35Å; G505-D507 PolarHBondContact O-N 3.13Å; G505-D507 VanDerWaalsContact O-N 3.15Å | ||
| 506 | A | 52 | Low | 48.9 | Very low | 94 Ų | 94 | 112.7 Ų | 112.7 | 78% | 0.777 | 64% | 0.642 | S | S | * | * | trans | -37.2 | 122.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L504 P508 | L504-A506 PolarHBondContact O-N 2.86Å; A506-P508 WeakPolarHBondContact O-CD 3.34Å | ||
| 507 | D | 50.2 | Low | 49.8 | Very low | 104 Ų | 104 | 116.3 Ų | 116.3 | 56% | 0.556 | 65% | 0.648 | S | S | * | * | trans | -50.6 | 112.4 | 176.9 | -175 | -0.2 | 0 | 0 | 0 | 107.7 | G505 F509 G510 | G505-D507 PolarHBondContact O-N 3.13Å; G505-D507 VanDerWaalsContact O-N 3.15Å; D507-F509 PolarHBondContact O-N 3.06Å; D507-F509 WeakPolarHBondContact OD1-CD2 3.1Å; D507-F509 PolarHBondContact OD1-N 2.81Å; D507-G510 PolarHBondContact O-N 2.81Å | ||
| 508 | P | 57.6 | Low | 50.8 | Low | 83 Ų | 83 | 117.3 Ų | 117.3 | 54% | 0.539 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.4 | -7.1 | -174 | -22.9 | 34 | 0 | 0 | 0 | 113.5 | A506 N532 | A506-P508 WeakPolarHBondContact O-CD 3.34Å; P508-N532 WeakPolarHBondContact CB-ND2 3.2Å |
| 509 | F | 54.8 | Low | 51.7 | Low | 66 Ų | 66 | 114.3 Ų | 114.3 | 29% | 0.289 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.4 | -12.5 | -178.8 | -55.2 | -72.4 | 0 | 0 | 0 | 113.7 | D507 D511 R512 L513 L528 N532 | D507-F509 PolarHBondContact O-N 3.06Å; D507-F509 WeakPolarHBondContact OD1-CD2 3.1Å; D507-F509 PolarHBondContact OD1-N 2.81Å; F509-D511 PolarHBondContact O-N 3.49Å; F509-R512 PolarHBondContact O-N 3.43Å; F509-L513 HydrophobicContact CB-CD1 3.61Å; F509-L513 HydrophobicContact CB-CG 4.16Å; F509-L513 WeakPolarHBondContact O-CB 3.29Å; F509-L513 VanDerWaalsContact O-CG 3.26Å; F509-L513 WeakPolarHBondContact O-CG 3.27Å; F509-L513 PolarHBondContact O-N 3.12Å; F509-L528 HydrophobicContact CD1-CD2 3.54Å; F509-L528 HydrophobicContact CE1-CD2 3.76Å; F509-N532 HydrophobicContact CE1-CB 4.48Å |
| 510 | G | 56.9 | Low | 53.5 | Low | 28 Ų | 28 | 111.5 Ų | 111.5 | 29% | 0.289 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -56.7 | -52.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D507 R512 L513 D514 | D507-G510 PolarHBondContact O-N 2.81Å; G510-R512 VanDerWaalsContact C-N 3.26Å; G510-R512 PolarHBondContact O-N 2.77Å; G510-L513 PolarHBondContact O-N 3.36Å; G510-D514 PolarHBondContact O-N 3.45Å |
| 511 | D | 58 | Low | 55 | Low | 153 Ų | 153 | 110 Ų | 110 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.8 | -18.4 | -177 | -81.8 | -6.6 | 0 | 0 | 0 | 114.5 | F509 | F509-D511 PolarHBondContact O-N 3.49Å |
| 512 | R | 58.4 | Low | 56.7 | Low | 140 Ų | 140 | 112.8 Ų | 112.8 | 53% | 0.528 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -105.2 | -13.1 | -179 | -70.4 | -166.6 | -179.6 | -165.5 | 0.9 | 114 | F509 G510 | F509-R512 PolarHBondContact O-N 3.43Å; G510-R512 VanDerWaalsContact C-N 3.26Å; G510-R512 PolarHBondContact O-N 2.77Å |
| 513 | L | 56.8 | Low | 58.6 | Low | 88 Ų | 88 | 110.9 Ų | 110.9 | 46% | 0.461 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -90 | -24.4 | 177.1 | -71.8 | 173.8 | 0 | 0 | 0 | 112.2 | F509 G510 D515 V516 L520 | F509-L513 HydrophobicContact CB-CD1 3.61Å; F509-L513 HydrophobicContact CB-CG 4.16Å; F509-L513 WeakPolarHBondContact O-CB 3.29Å; F509-L513 VanDerWaalsContact O-CG 3.26Å; F509-L513 WeakPolarHBondContact O-CG 3.27Å; F509-L513 PolarHBondContact O-N 3.12Å; G510-L513 PolarHBondContact O-N 3.36Å; L513-D515 PolarHBondContact O-N 2.88Å; L513-V516 PolarHBondContact O-N 2.92Å; L513-L520 HydrophobicContact CD2-CD1 4.01Å |
| 514 | D | 58.2 | Low | 60.3 | Low | 149 Ų | 149 | 107 Ų | 107 | 80% | 0.797 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -22.2 | 175.8 | -98.5 | -0.8 | 0 | 0 | 0 | 113.3 | G510 | G510-D514 PolarHBondContact O-N 3.45Š|
| 515 | D | 58.8 | Low | 62 | Low | 143 Ų | 143 | 103.6 Ų | 103.6 | 77% | 0.765 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 0.2 | -178.5 | -79 | -20.8 | 0 | 0 | 0 | 114.3 | L513 | L513-D515 PolarHBondContact O-N 2.88Š|
| 516 | V | 58.4 | Low | 63.4 | Low | 62 Ų | 62 | 108.9 Ų | 108.9 | 38% | 0.376 | 58% | 0.581 | S | S | . | * | trans | -120.1 | 95.3 | -173 | -160.5 | 0 | 0 | 0 | 0 | 111.8 | L513 Q518 L520 | L513-V516 PolarHBondContact O-N 2.92Å; V516-Q518 WeakPolarHBondContact CG1-O 3.13Å; V516-Q518 PolarHBondContact O-N 3.17Å; V516-L520 HydrophobicContact CG1-CD2 4.02Å; V516-L520 HydrophobicContact CG1-CG 4.17Å | ||
| 517 | E | 56.8 | Low | 64.7 | Low | 205 Ų | 205 | 110.5 Ų | 110.5 | 96% | 0.958 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -68.2 | 3.4 | 176.8 | -78.5 | -174.1 | 150 | 0 | 0 | 114.9 | ||
| 518 | Q | 63.8 | Low | 66.1 | Low | 157 Ų | 157 | 107.2 Ų | 107.2 | 73% | 0.734 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -133 | 147.8 | 177.6 | -98.4 | 177.6 | -15.8 | 0 | 0 | 113.1 | V516 L520 | V516-Q518 WeakPolarHBondContact CG1-O 3.13Å; V516-Q518 PolarHBondContact O-N 3.17Å; Q518-L520 PolarHBondContact O-N 3.27Å |
| 519 | P | 61.6 | Low | 67.1 | Low | 129 Ų | 129 | 107.5 Ų | 107.5 | 84% | 0.838 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 122.3 | 178.2 | 25 | -31.5 | 0 | 0 | 0 | 110.7 | ||
| 520 | L | 72.1 | Confident | 68.2 | Low | 59 Ų | 59 | 108.6 Ų | 108.6 | 31% | 0.309 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 136.8 | -177.6 | -73.5 | 158.8 | 0 | 0 | 0 | 112 | L513 V516 Q518 L525 | L513-L520 HydrophobicContact CD2-CD1 4.01Å; V516-L520 HydrophobicContact CG1-CD2 4.02Å; V516-L520 HydrophobicContact CG1-CG 4.17Å; Q518-L520 PolarHBondContact O-N 3.27Å; L520-L525 HydrophobicContact CB-CD1 4.47Å |
| 521 | D | 76.5 | Confident | 69.2 | Low | 106 Ų | 106 | 111 Ų | 111 | 57% | 0.567 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 151.6 | 170.5 | -179.9 | 38.9 | 0 | 0 | 0 | 111.2 | S523 S524 L525 | D521-S523 PolarHBondContact O-N 3.33Å; D521-S523 VanDerWaalsContact O-N 3.13Å; D521-S523 PolarHBondContact OD2-OG 2.81Å; D521-S524 PolarHBondContact O-N 3.49Å; D521-S524 VanDerWaalsContact O-N 3.07Å; D521-L525 PolarHBondContact O-N 2.91Å |
| 522 | H | 72.4 | Confident | 70 | Confident | 149 Ų | 149 | 105.6 Ų | 105.6 | 69% | 0.69 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.5 | -31 | -175.1 | -174.8 | -75.2 | 0 | 0 | 0 | 112.4 | R526 | H522-R526 WeakPolarHBondContact O-CB 3.47Å; H522-R526 PolarHBondContact O-N 2.86Å; H522-R526 VanDerWaalsContact O-N 3.12Å |
| 523 | S | 76.2 | Confident | 70.7 | Confident | 68 Ų | 68 | 106.8 Ų | 106.8 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.4 | -47 | 176.3 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | D521 R526 Q527 | D521-S523 PolarHBondContact O-N 3.33Å; D521-S523 VanDerWaalsContact O-N 3.13Å; D521-S523 PolarHBondContact OD2-OG 2.81Å; S523-R526 PolarHBondContact O-N 3.46Å; S523-Q527 PolarHBondContact O-N 3.11Å; S523-Q527 VanDerWaalsContact O-N 3.16Å |
| 524 | S | 78.3 | Confident | 71.6 | Confident | 47 Ų | 47 | 106.8 Ų | 106.8 | 33% | 0.329 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.8 | -51.6 | 0 | 0 | 0 | 0 | 112.2 | D521 R526 Q527 L528 | D521-S524 PolarHBondContact O-N 3.49Å; D521-S524 VanDerWaalsContact O-N 3.07Å; S524-R526 PolarHBondContact O-N 3.16Å; S524-Q527 PolarHBondContact O-N 3.46Å; S524-L528 PolarHBondContact O-N 3.42Å |
| 525 | L | 77.3 | Confident | 72.2 | Confident | 88 Ų | 88 | 104 Ų | 104 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 177.4 | -134.2 | 157 | 0 | 0 | 0 | 111.5 | L520 D521 Q527 L528 I529 | L520-L525 HydrophobicContact CB-CD1 4.47Å; D521-L525 PolarHBondContact O-N 2.91Å; L525-Q527 PolarHBondContact O-N 2.75Å; L525-L528 PolarHBondContact O-N 3.29Å; L525-I529 HydrophobicContact CD2-CD1 3.95Å; L525-I529 VanDerWaalsContact O-CG1 3.32Å; L525-I529 WeakPolarHBondContact O-CG1 3.1Å; L525-I529 PolarHBondContact O-N 3.22Å |
| 526 | R | 77.1 | Confident | 72.8 | Confident | 169 Ų | 169 | 103.8 Ų | 103.8 | 64% | 0.638 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 174.7 | -174 | -178.6 | 178.1 | -156.8 | -0.8 | 112 | H522 S523 S524 I529 L530 | H522-R526 WeakPolarHBondContact O-CB 3.47Å; H522-R526 PolarHBondContact O-N 2.86Å; H522-R526 VanDerWaalsContact O-N 3.12Å; S523-R526 PolarHBondContact O-N 3.46Å; S524-R526 PolarHBondContact O-N 3.16Å; R526-I529 PolarHBondContact O-N 3.35Å; R526-L530 HydrophobicContact CG-CD1 4.3Å; R526-L530 WeakPolarHBondContact O-CG 3.1Å; R526-L530 PolarHBondContact O-N 3.41Å; R526-L530 VanDerWaalsContact O-N 3.12Å |
| 527 | Q | 79.3 | Confident | 73.4 | Confident | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -44 | 177.2 | -116.3 | 171.5 | -14.4 | 0 | 0 | 111.8 | S523 S524 L525 I529 L530 D531 | S523-Q527 PolarHBondContact O-N 3.11Å; S523-Q527 VanDerWaalsContact O-N 3.16Å; S524-Q527 PolarHBondContact O-N 3.46Å; L525-Q527 PolarHBondContact O-N 2.75Å; Q527-I529 VanDerWaalsContact C-N 3.3Å; Q527-I529 PolarHBondContact O-N 2.92Å; Q527-L530 PolarHBondContact O-N 3.07Å; Q527-L530 VanDerWaalsContact O-N 3.13Å; Q527-D531 PolarHBondContact O-N 3.06Å |
| 528 | L | 79.8 | Confident | 73.8 | Confident | 35 Ų | 35 | 99 Ų | 99 | 18% | 0.183 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 179.9 | -153.6 | 157 | 0 | 0 | 0 | 111.9 | F509 S524 L525 N532 | F509-L528 HydrophobicContact CD1-CD2 3.54Å; F509-L528 HydrophobicContact CE1-CD2 3.76Å; S524-L528 PolarHBondContact O-N 3.42Å; L525-L528 PolarHBondContact O-N 3.29Å; L528-N532 WeakPolarHBondContact O-CB 3.44Å; L528-N532 PolarHBondContact O-N 3.39Å |
| 529 | I | 77.2 | Confident | 73.8 | Confident | 90 Ų | 90 | 100.5 Ų | 100.5 | 46% | 0.462 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 174.2 | -66.9 | 166.1 | 0 | 0 | 0 | 111.5 | L525 R526 Q527 N532 Y533 | L525-I529 HydrophobicContact CD2-CD1 3.95Å; L525-I529 VanDerWaalsContact O-CG1 3.32Å; L525-I529 WeakPolarHBondContact O-CG1 3.1Å; L525-I529 PolarHBondContact O-N 3.22Å; R526-I529 PolarHBondContact O-N 3.35Å; Q527-I529 VanDerWaalsContact C-N 3.3Å; Q527-I529 PolarHBondContact O-N 2.92Å; I529-N532 PolarHBondContact O-N 3.33Å; I529-Y533 PolarHBondContact O-N 3.15Å |
| 530 | L | 78.6 | Confident | 73.5 | Confident | 89 Ų | 89 | 96.8 Ų | 96.8 | 47% | 0.466 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 179.6 | -72.7 | 169.7 | 0 | 0 | 0 | 111.8 | R526 Q527 N532 Y533 I534 | R526-L530 HydrophobicContact CG-CD1 4.3Å; R526-L530 WeakPolarHBondContact O-CG 3.1Å; R526-L530 PolarHBondContact O-N 3.41Å; R526-L530 VanDerWaalsContact O-N 3.12Å; Q527-L530 PolarHBondContact O-N 3.07Å; Q527-L530 VanDerWaalsContact O-N 3.13Å; L530-N532 VanDerWaalsContact C-N 3.3Å; L530-N532 PolarHBondContact O-N 3.02Å; L530-Y533 WeakPolarHBondContact O-CB 3.11Å; L530-Y533 PolarHBondContact O-N 2.9Å; L530-I534 WeakPolarHBondContact O-CG1 3.15Å; L530-I534 PolarHBondContact O-N 2.81Å |
| 531 | D | 77.9 | Confident | 72.9 | Confident | 77 Ų | 77 | 99.9 Ų | 99.9 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 177 | -73.1 | -9.6 | 0 | 0 | 0 | 111.8 | Q527 I534 L535 | Q527-D531 PolarHBondContact O-N 3.06Å; D531-I534 PolarHBondContact O-N 3.36Å; D531-L535 WeakPolarHBondContact O-CG 3.45Å; D531-L535 PolarHBondContact O-N 3.24Å |
| 532 | N | 74.8 | Confident | 71.7 | Confident | 41 Ų | 41 | 102 Ų | 102 | 22% | 0.219 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 176.1 | -159.5 | -65.4 | 0 | 0 | 0 | 111.8 | P508 F509 L528 I529 L530 I534 L535 K536 | P508-N532 WeakPolarHBondContact CB-ND2 3.2Å; F509-N532 HydrophobicContact CE1-CB 4.48Å; L528-N532 WeakPolarHBondContact O-CB 3.44Å; L528-N532 PolarHBondContact O-N 3.39Å; I529-N532 PolarHBondContact O-N 3.33Å; L530-N532 VanDerWaalsContact C-N 3.3Å; L530-N532 PolarHBondContact O-N 3.02Å; N532-I534 VanDerWaalsContact C-N 3.32Å; N532-I534 PolarHBondContact O-N 3.41Å; N532-L535 PolarHBondContact O-N 2.86Å; N532-K536 WeakPolarHBondContact O-CB 3.25Å; N532-K536 PolarHBondContact O-N 3.02Å |
| 533 | Y | 73.8 | Confident | 70.6 | Confident | 165 Ų | 165 | 100.5 Ų | 100.5 | 65% | 0.647 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 175.6 | -157.9 | -90 | 0 | 0 | 0 | 111.5 | I529 L530 K536 E537 | I529-Y533 PolarHBondContact O-N 3.15Å; L530-Y533 WeakPolarHBondContact O-CB 3.11Å; L530-Y533 PolarHBondContact O-N 2.9Å; Y533-K536 PolarHBondContact O-N 3.18Å; Y533-E537 WeakPolarHBondContact O-CB 3.06Å; Y533-E537 PolarHBondContact O-N 2.76Å |
| 534 | I | 74.9 | Confident | 69.2 | Low | 88 Ų | 88 | 106.9 Ų | 106.9 | 45% | 0.451 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 176.3 | -65 | 165.3 | 0 | 0 | 0 | 110.9 | L530 D531 N532 K536 E537 N538 | L530-I534 WeakPolarHBondContact O-CG1 3.15Å; L530-I534 PolarHBondContact O-N 2.81Å; D531-I534 PolarHBondContact O-N 3.36Å; N532-I534 VanDerWaalsContact C-N 3.32Å; N532-I534 PolarHBondContact O-N 3.41Å; I534-K536 VanDerWaalsContact C-N 3.33Å; I534-K536 PolarHBondContact O-N 2.84Å; I534-E537 PolarHBondContact O-N 2.94Å; I534-N538 VanDerWaalsContact O-CG 3.26Å; I534-N538 PolarHBondContact O-N 2.84Å; I534-N538 PolarHBondContact O-ND2 3.5Å |
| 535 | L | 71.7 | Confident | 67.4 | Low | 90 Ų | 90 | 107.7 Ų | 107.7 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 175.6 | -80.9 | 160.9 | 0 | 0 | 0 | 112.4 | D531 N532 N538 R539 | D531-L535 WeakPolarHBondContact O-CG 3.45Å; D531-L535 PolarHBondContact O-N 3.24Å; N532-L535 PolarHBondContact O-N 2.86Å; L535-N538 PolarHBondContact O-N 2.8Å; L535-R539 PolarHBondContact O-N 3.5Å |
| 536 | K | 69.8 | Low | 65.7 | Low | 139 Ų | 139 | 111.2 Ų | 111.2 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.3 | -39.6 | 176.7 | -167.5 | 174 | -176.6 | 175.3 | 0 | 111.5 | N532 Y533 I534 N538 R539 S540 | N532-K536 WeakPolarHBondContact O-CB 3.25Å; N532-K536 PolarHBondContact O-N 3.02Å; Y533-K536 PolarHBondContact O-N 3.18Å; I534-K536 VanDerWaalsContact C-N 3.33Å; I534-K536 PolarHBondContact O-N 2.84Å; K536-N538 VanDerWaalsContact C-N 3.34Å; K536-R539 PolarHBondContact O-N 2.78Å; K536-S540 WeakPolarHBondContact O-CB 2.83Å; K536-S540 PolarHBondContact O-N 3.3Å; K536-S540 PolarHBondContact O-OG 2.66Å |
| 537 | E | 71.3 | Confident | 63.9 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 175.9 | -157.3 | -171.3 | 149.3 | 0 | 0 | 111.5 | Y533 I534 S540 K541 | Y533-E537 WeakPolarHBondContact O-CB 3.06Å; Y533-E537 PolarHBondContact O-N 2.76Å; I534-E537 PolarHBondContact O-N 2.94Å; E537-S540 WeakPolarHBondContact O-CB 3.19Å; E537-S540 PolarHBondContact O-N 2.73Å; E537-K541 WeakPolarHBondContact O-CG 3.2Å; E537-K541 PolarHBondContact O-N 3.44Å; E537-K541 WeakPolarHBondContact OE1-CE 2.88Å; E537-K541 IonicContact OE1-NZ 3Å; E537-K541 PolarHBondContact OE1-NZ 3.45Å |
| 538 | N | 65.9 | Low | 61.7 | Low | 80 Ų | 80 | 109.4 Ų | 109.4 | 43% | 0.428 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.5 | -44 | 176.1 | -69.3 | -15.6 | 0 | 0 | 0 | 112.1 | I534 L535 K536 S540 K541 E542 | I534-N538 VanDerWaalsContact O-CG 3.26Å; I534-N538 PolarHBondContact O-N 2.84Å; I534-N538 PolarHBondContact O-ND2 3.5Å; L535-N538 PolarHBondContact O-N 2.8Å; K536-N538 VanDerWaalsContact C-N 3.34Å; N538-S540 VanDerWaalsContact C-N 3.26Å; N538-S540 PolarHBondContact O-N 2.71Å; N538-K541 PolarHBondContact O-N 3.38Å; N538-K541 VanDerWaalsContact O-N 3.1Å; N538-E542 PolarHBondContact O-N 3.26Å; N538-E542 VanDerWaalsContact O-N 3.1Å |
| 539 | R | 62.8 | Low | 59.7 | Low | 188 Ų | 188 | 113.7 Ų | 113.7 | 71% | 0.709 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.5 | -34.5 | 171.9 | -75.8 | -175.6 | 175.1 | -176.4 | 0.4 | 112.6 | L535 K536 K541 E542 V543 | L535-R539 PolarHBondContact O-N 3.5Å; K536-R539 PolarHBondContact O-N 2.78Å; R539-K541 VanDerWaalsContact C-N 3.27Å; R539-K541 PolarHBondContact O-N 2.83Å; R539-E542 PolarHBondContact O-N 3Å; R539-V543 WeakPolarHBondContact O-CG2 3.18Å; R539-V543 PolarHBondContact O-N 3.42Å |
| 540 | S | 56.9 | Low | 57.7 | Low | 51 Ų | 51 | 118 Ų | 118 | 36% | 0.357 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.5 | -23.4 | 176.8 | -52.9 | 0 | 0 | 0 | 0 | 113.2 | K536 E537 N538 | K536-S540 WeakPolarHBondContact O-CB 2.83Å; K536-S540 PolarHBondContact O-N 3.3Å; K536-S540 PolarHBondContact O-OG 2.66Å; E537-S540 WeakPolarHBondContact O-CB 3.19Å; E537-S540 PolarHBondContact O-N 2.73Å; N538-S540 VanDerWaalsContact C-N 3.26Å; N538-S540 PolarHBondContact O-N 2.71Å |
| 541 | K | 58.6 | Low | 55.6 | Low | 124 Ų | 124 | 123.7 Ų | 123.7 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -83 | -36.8 | 175.3 | -74.6 | 171.5 | -175.6 | 162.8 | 0 | 111.3 | E537 N538 R539 R544 | E537-K541 WeakPolarHBondContact O-CG 3.2Å; E537-K541 PolarHBondContact O-N 3.44Å; E537-K541 WeakPolarHBondContact OE1-CE 2.88Å; E537-K541 IonicContact OE1-NZ 3Å; E537-K541 PolarHBondContact OE1-NZ 3.45Å; N538-K541 PolarHBondContact O-N 3.38Å; N538-K541 VanDerWaalsContact O-N 3.1Å; R539-K541 VanDerWaalsContact C-N 3.27Å; R539-K541 PolarHBondContact O-N 2.83Å; K541-R544 PolarHBondContact O-N 2.99Å |
| 542 | E | 51.3 | Low | 53.5 | Low | 151 Ų | 151 | 125.7 Ų | 125.7 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.2 | -41.9 | 174.2 | -75.2 | 178.1 | 160.6 | 0 | 0 | 112.6 | N538 R539 R544 G545 | N538-E542 PolarHBondContact O-N 3.26Å; N538-E542 VanDerWaalsContact O-N 3.1Å; R539-E542 PolarHBondContact O-N 3Å; E542-R544 PolarHBondContact O-N 2.77Å; E542-G545 PolarHBondContact O-N 3.4Å |
| 543 | V | 49.5 | Very low | 51.4 | Low | 118 Ų | 118 | 131.7 Ų | 131.7 | 72% | 0.715 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -19.1 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | R539 | R539-V543 WeakPolarHBondContact O-CG2 3.18Å; R539-V543 PolarHBondContact O-N 3.42Å |
| 544 | R | 45.7 | Very low | 49.6 | Very low | 202 Ų | 202 | 130.4 Ų | 130.4 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -4.5 | -180 | -127.3 | -179.7 | -72.4 | -125.7 | 2.9 | 113.9 | K541 E542 | K541-R544 PolarHBondContact O-N 2.99Å; E542-R544 PolarHBondContact O-N 2.77Å |
| 545 | G | 42.2 | Very low | 47.6 | Very low | 63 Ų | 63 | 131.7 Ų | 131.7 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -82.7 | -20.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E542 | E542-G545 PolarHBondContact O-N 3.4Š|
| 546 | D | 41.1 | Very low | 45.8 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -106.9 | 19.8 | -164.4 | -106.7 | -2.2 | 0 | 0 | 0 | 115.4 | ||
| 547 | S | 39.4 | Very low | 44.1 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | -141.5 | 63.1 | -178.4 | 44 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 548 | L | 32.5 | Very low | 42.4 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 74% | 0.743 | S | S | * | * | trans | -149.6 | 123.9 | 151.9 | -77.1 | 178.9 | 0 | 0 | 0 | 111.1 | ||||
| 549 | P | 38.7 | Very low | 41 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -86.2 | 146 | 165.8 | 33.4 | -28.5 | 0 | 0 | 0 | 111.3 | K551 | P549-K551 PolarHBondContact O-N 2.94Š| ||
| 550 | E | 33.9 | Very low | 39.8 | Very low | 180 Ų | 180 | 153.7 Ų | 153.7 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -45.9 | 128.8 | 171 | -73.3 | 173.5 | 121.4 | 0 | 0 | 113 | ||||
| 551 | K | 34.2 | Very low | 38.7 | Very low | 208 Ų | 208 | 157.3 Ų | 157.3 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -134.4 | 111.4 | 138.9 | -79.1 | -160.9 | 175.5 | -176.3 | 0 | 110.2 | P549 | P549-K551 PolarHBondContact O-N 2.94Š| ||
| 552 | V | 34.7 | Very low | 37.7 | Very low | 120 Ų | 120 | 157.3 Ų | 157.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -50.6 | 125.3 | 159.7 | 174.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 553 | D | 31 | Very low | 36.9 | Very low | 167 Ų | 167 | 162.4 Ų | 162.4 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -149.3 | 133.6 | 137.6 | -127.2 | -16.4 | 0 | 0 | 0 | 111.2 | ||||
| 554 | D | 35.2 | Very low | 36.3 | Very low | 137 Ų | 137 | 164.7 Ų | 164.7 | 73% | 0.733 | 84% | 0.838 | S | S | * | * | trans | -104.1 | 115.6 | -159.8 | -163.6 | 6.3 | 0 | 0 | 0 | 108.5 | ||||
| 555 | S | 33.8 | Very low | 35.8 | Very low | 115 Ų | 115 | 162.7 Ų | 162.7 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -157.7 | 95.2 | 157.4 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 556 | R | 33.1 | Very low | 35.5 | Very low | 234 Ų | 234 | 168.2 Ų | 168.2 | 88% | 0.883 | 85% | 0.853 | S | S | * | * | trans | -11.1 | 130.2 | 151.2 | -68.4 | 171.1 | 173.2 | 172.1 | -2 | 116.6 | ||||
| 557 | S | 33.6 | Very low | 35.1 | Very low | 119 Ų | 119 | 168.5 Ų | 168.5 | 83% | 0.832 | 85% | 0.852 | S | S | * | * | -155.3 | 102.6 | 117.2 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 558 | R | 36.4 | Very low | 34.9 | Very low | 247 Ų | 247 | 173.4 Ų | 173.4 | 93% | 0.932 | 87% | 0.866 | S | S | * | * | trans | -68.7 | 127 | 161.1 | -78.8 | 176.5 | 172.5 | 172.1 | -2.1 | 108.6 | ||||
| 559 | K | 35.7 | Very low | 35 | Very low | 212 Ų | 212 | 173.8 Ų | 173.8 | 92% | 0.922 | 87% | 0.865 | S | S | * | * | trans | -136.1 | 108.8 | 143.2 | -91.2 | -173.3 | 178.2 | 176.7 | 0 | 109.9 | ||||
| 560 | R | 37.3 | Very low | 34.8 | Very low | 233 Ų | 233 | 177.3 Ų | 177.3 | 88% | 0.879 | 87% | 0.868 | S | S | * | * | trans | -64.5 | 138.4 | 156.5 | -76.5 | 176.2 | 173.9 | 174.5 | -3.8 | 109.1 | ||||
| 561 | V | 35.2 | Very low | 34.8 | Very low | 128 Ų | 128 | 177.1 Ų | 177.1 | 78% | 0.776 | 87% | 0.87 | S | S | * | * | trans | -155.1 | 99.6 | 141.2 | 178.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 562 | T | 37.7 | Very low | 34.9 | Very low | 123 Ų | 123 | 174.5 Ų | 174.5 | 76% | 0.755 | 87% | 0.868 | S | S | * | * | 34.7 | 85.4 | 90.9 | 43.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 563 | M | 34.8 | Very low | 34.9 | Very low | 259 Ų | 259 | 179.5 Ų | 179.5 | 100% | 1.276 | 88% | 0.88 | S | S | * | * | -167.9 | 0 | 93.1 | -83.8 | -141.8 | 92.4 | 0 | 0 | 109 |
Retrieved 563 of 563 residues in 139.6 ms
(Link to these results)