| 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 | 35.2 | Very low | 34.1 | Very low | 252 Ų | 252 | 139.3 Ų | 139.3 | 100% | 1.241 | 82% | 0.816 | S | S | * | * | 0 | 110.7 | 0 | -61.4 | 173.2 | -175.5 | 0 | 0 | 105.4 | |||||
| 2 | A | 40.1 | Very low | 33.6 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | cis | -139.6 | 148.7 | 22 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 3 | S | 37.8 | Very low | 33.9 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -7.9 | 122.1 | 157 | -51.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 4 | A | 37.4 | Very low | 33.7 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | 85.1 | 108.6 | 79.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 5 | S | 32 | Very low | 33.5 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | 98.7 | 131.7 | 97.9 | -159.6 | 0 | 0 | 0 | 0 | 109 | |||||
| 6 | T | 33.5 | Very low | 33.8 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 64% | 0.638 | 81% | 0.805 | S | S | * | * | cis | -173.6 | 152.2 | 14.7 | 0.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 7 | R | 30.8 | Very low | 33.7 | Very low | 239 Ų | 239 | 142.5 Ų | 142.5 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | 32.2 | 116.1 | 137.6 | -73 | 175.3 | 168.3 | 131.6 | -3 | 117.1 | ||||
| 8 | G | 28.6 | Very low | 34.1 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 97.8 | 119.9 | 79.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 9 | N | 28.4 | Very low | 34.6 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | -176.5 | 120.8 | 85.2 | -172 | -105.6 | 0 | 0 | 0 | 107.6 | |||||
| 10 | Q | 34.8 | Very low | 34.7 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -99.3 | 142.3 | 168.5 | -120.2 | 173.3 | 83.5 | 0 | 0 | 107.5 | ||||
| 11 | D | 37.2 | Very low | 34.8 | Very low | 121 Ų | 121 | 140 Ų | 140 | 65% | 0.647 | 79% | 0.791 | S | S | * | * | trans | 65.6 | 112.7 | 156.6 | -71.7 | -92.4 | 0 | 0 | 0 | 120.3 | ||||
| 12 | K | 27.8 | Very low | 34.7 | Very low | 201 Ų | 201 | 136 Ų | 136 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -152.8 | 104 | 142.3 | -158.3 | 166.9 | 173.9 | -77.8 | 0 | 111.3 | ||||
| 13 | D | 37.1 | Very low | 34.7 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -46.9 | 146 | 162 | -79 | -90 | 0 | 0 | 0 | 112.8 | ||||
| 14 | T | 30.8 | Very low | 34.7 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | 156.9 | 135.4 | 120.2 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 15 | H | 30.6 | Very low | 34.8 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | 97.5 | 101.3 | 153.3 | -116 | -91.8 | 0 | 0 | 0 | 120.2 | ||||
| 16 | L | 38.7 | Very low | 35.2 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -63 | 153.3 | 150.4 | -87 | 102.1 | 0 | 0 | 0 | 111.1 | ||||
| 17 | P | 31.8 | Very low | 35.5 | Very low | 116 Ų | 116 | 144 Ų | 144 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | -140.1 | 160.3 | 99.9 | 33.7 | -17.4 | 0 | 0 | 0 | 114.6 | |||||
| 18 | P | 41.2 | Very low | 36.3 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | trans | -96.2 | -164.2 | 176.6 | 41.2 | -33.5 | 0 | 0 | 0 | 110.4 | ||||
| 19 | P | 44.6 | Very low | 36.9 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -119.1 | -170.6 | -44.9 | 24.7 | -2.8 | 0 | 0 | 0 | 109.1 | ||||
| 20 | S | 36.4 | Very low | 37.5 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 102 | 125 | 158.9 | 89.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 21 | K | 35.7 | Very low | 38 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | 71.6 | 58.1 | 153.6 | -54.4 | -174.3 | -176.9 | -176.9 | 0 | 119.3 | ||||
| 22 | Q | 34.2 | Very low | 38.4 | Very low | 169 Ų | 169 | 135.1 Ų | 135.1 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | trans | -125.3 | 89.6 | 140.5 | -87.1 | 178.4 | -4.8 | 0 | 0 | 105.9 | L24 | Q22-L24 HydrophobicContact CB-CG 4.32Å; Q22-L24 HydrophobicContact CG-CD1 4.48Å; Q22-L24 HydrophobicContact CG-CG 4.42Å; Q22-L24 PolarHBondContact O-N 3.15Å | ||
| 23 | S | 38.8 | Very low | 39.1 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | 35.3 | 43.3 | 58.8 | -134.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 24 | L | 38.3 | Very low | 39.5 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | trans | -125.3 | 77.6 | 156.7 | -73.6 | 177.6 | 0 | 0 | 0 | 107.2 | Q22 F26 | Q22-L24 HydrophobicContact CB-CG 4.32Å; Q22-L24 HydrophobicContact CG-CD1 4.48Å; Q22-L24 HydrophobicContact CG-CG 4.42Å; Q22-L24 PolarHBondContact O-N 3.15Å; L24-F26 PolarHBondContact O-N 3.44Å | ||
| 25 | L | 40.3 | Very low | 40.7 | Very low | 172 Ų | 172 | 127 Ų | 127 | 90% | 0.901 | 68% | 0.68 | S | S | * | * | trans | -40.5 | 88.7 | 150.6 | -75.3 | 157.4 | 0 | 0 | 0 | 109 | ||||
| 26 | F | 40.2 | Very low | 41.8 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 72% | 0.715 | 68% | 0.678 | S | S | * | * | trans | -129.4 | 76.7 | 176.1 | -138.1 | -89.2 | 0 | 0 | 0 | 110.5 | L24 K29 | L24-F26 PolarHBondContact O-N 3.44Å; F26-K29 HydrophobicContact CE1-CB 4.46Å | ||
| 27 | C | 38.4 | Very low | 42.7 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 76% | 0.757 | 66% | 0.663 | S | S | * | * | trans | -137.5 | 124.9 | 146.6 | -88.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 28 | P | 48.1 | Very low | 43.8 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | cis | -145.6 | 99 | 49.9 | 35 | -12.5 | 0 | 0 | 0 | 113.5 | ||||
| 29 | K | 40.8 | Very low | 44.5 | Very low | 150 Ų | 150 | 120.5 Ų | 120.5 | 65% | 0.652 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -92.9 | -18.6 | 160.1 | -148.2 | -179.9 | -177.7 | 167.4 | 0 | 112.4 | F26 H33 | F26-K29 HydrophobicContact CE1-CB 4.46Å; K29-H33 PolarHBondContact O-N 3.07Å |
| 30 | S | 42.7 | Very low | 45.1 | Very low | 67 Ų | 67 | 118.2 Ų | 118.2 | 47% | 0.469 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71 | -36.7 | -179.2 | 54.3 | 0 | 0 | 0 | 0 | 113 | H33 I34 | S30-H33 PolarHBondContact O-N 3.36Å; S30-I34 VanDerWaalsContact O-CB 3.31Å; S30-I34 WeakPolarHBondContact O-CB 3.29Å; S30-I34 VanDerWaalsContact O-CD1 3.31Å; S30-I34 WeakPolarHBondContact O-CD1 3.36Å; S30-I34 PolarHBondContact O-N 3.06Å |
| 31 | K | 45.2 | Very low | 46.3 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 58% | 0.583 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.6 | -38.6 | 179 | -82.2 | -83.6 | -179.9 | 164.5 | 0 | 113.1 | H35 | K31-H35 WeakPolarHBondContact O-CB 3.31Å; K31-H35 PolarHBondContact O-N 3.35Å |
| 32 | L | 45.1 | Very low | 47.3 | Very low | 134 Ų | 134 | 113.6 Ų | 113.6 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.3 | -36.6 | 179.1 | -160.9 | 85.9 | 0 | 0 | 0 | 112.4 | H35 R36 | L32-H35 PolarHBondContact O-N 2.89Å; L32-R36 PolarHBondContact O-N 3.42Å |
| 33 | H | 42.8 | Very low | 48.3 | Very low | 141 Ų | 141 | 110.4 Ų | 110.4 | 65% | 0.653 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -75.5 | -39.5 | 178.8 | -123 | -106.3 | 0 | 0 | 0 | 112.3 | K29 S30 H35 A37 | K29-H33 PolarHBondContact O-N 3.07Å; S30-H33 PolarHBondContact O-N 3.36Å; H33-H35 VanDerWaalsContact C-N 3.3Å; H33-A37 PolarHBondContact O-N 3.37Å |
| 34 | I | 45.8 | Very low | 49.2 | Very low | 98 Ų | 98 | 115 Ų | 115 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.1 | -44.2 | 169.3 | -98.3 | 79.4 | 0 | 0 | 0 | 109.7 | S30 R36 A37 E38 | S30-I34 VanDerWaalsContact O-CB 3.31Å; S30-I34 WeakPolarHBondContact O-CB 3.29Å; S30-I34 VanDerWaalsContact O-CD1 3.31Å; S30-I34 WeakPolarHBondContact O-CD1 3.36Å; S30-I34 PolarHBondContact O-N 3.06Å; I34-R36 VanDerWaalsContact C-N 3.35Å; I34-R36 PolarHBondContact O-N 2.81Å; I34-A37 PolarHBondContact O-N 3.35Å; I34-E38 HydrophobicContact CG2-CG 4Å; I34-E38 WeakPolarHBondContact O-CB 3.35Å; I34-E38 VanDerWaalsContact O-CG 3.29Å; I34-E38 WeakPolarHBondContact O-CG 3.46Å; I34-E38 PolarHBondContact O-N 2.86Å |
| 35 | H | 54.6 | Low | 50 | Low | 44 Ų | 44 | 114.4 Ų | 114.4 | 20% | 0.204 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -61.2 | -42.2 | -176 | -165.3 | -112 | 0 | 0 | 0 | 112.1 | K31 L32 H33 A37 I39 E114 | K31-H35 WeakPolarHBondContact O-CB 3.31Å; K31-H35 PolarHBondContact O-N 3.35Å; L32-H35 PolarHBondContact O-N 2.89Å; H33-H35 VanDerWaalsContact C-N 3.3Å; H35-A37 PolarHBondContact O-N 2.78Å; H35-I39 WeakPolarHBondContact CE1-CD1 3.33Å; H35-I39 WeakPolarHBondContact ND1-CD1 3.25Å; H35-I39 VanDerWaalsContact O-CB 3.29Å; H35-I39 WeakPolarHBondContact O-CB 3.34Å; H35-I39 VanDerWaalsContact O-CD1 3.28Å; H35-I39 WeakPolarHBondContact O-CD1 3.37Å; H35-I39 WeakPolarHBondContact O-CG1 2.88Å; H35-I39 PolarHBondContact O-N 3.05Å; H35-E114 IonicContact CE1-OE1 2.99Å; H35-E114 PolarHBondContact CE1-OE1 2.85Å; H35-E114 IonicContact CE1-OE2 3.93Å; H35-E114 IonicContact ND1-OE1 3.86Å; H35-E114 IonicContact NE2-OE1 3.48Å; H35-E114 PolarHBondContact NE2-OE1 2.83Å |
| 36 | R | 54.6 | Low | 50.6 | Low | 200 Ų | 200 | 107.7 Ų | 107.7 | 76% | 0.755 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.5 | -36.4 | 178.2 | -153.8 | -176 | -165.8 | -178.6 | 4.9 | 112.9 | L32 I34 S40 | L32-R36 PolarHBondContact O-N 3.42Å; I34-R36 VanDerWaalsContact C-N 3.35Å; I34-R36 PolarHBondContact O-N 2.81Å; R36-S40 WeakPolarHBondContact O-CB 3.25Å; R36-S40 PolarHBondContact O-N 3.42Å; R36-S40 PolarHBondContact O-OG 3.38Å |
| 37 | A | 56.8 | Low | 51.1 | Low | 55 Ų | 55 | 106.1 Ų | 106.1 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.6 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H33 I34 H35 S40 K41 | H33-A37 PolarHBondContact O-N 3.37Å; I34-A37 PolarHBondContact O-N 3.35Å; H35-A37 PolarHBondContact O-N 2.78Å; A37-S40 PolarHBondContact O-N 2.89Å; A37-S40 PolarHBondContact O-OG 2.81Å; A37-K41 WeakPolarHBondContact O-CB 3.41Å; A37-K41 PolarHBondContact O-N 3.48Å |
| 38 | E | 55.5 | Low | 51.8 | Low | 100 Ų | 100 | 108.3 Ų | 108.3 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 173.9 | -71.2 | -72.5 | 146.5 | 0 | 0 | 111.1 | I34 S40 K41 I42 | I34-E38 HydrophobicContact CG2-CG 4Å; I34-E38 WeakPolarHBondContact O-CB 3.35Å; I34-E38 VanDerWaalsContact O-CG 3.29Å; I34-E38 WeakPolarHBondContact O-CG 3.46Å; I34-E38 PolarHBondContact O-N 2.86Å; E38-S40 VanDerWaalsContact C-N 3.32Å; E38-S40 PolarHBondContact O-N 3.41Å; E38-K41 PolarHBondContact O-N 2.62Å; E38-I42 WeakPolarHBondContact O-CB 3.33Å; E38-I42 WeakPolarHBondContact O-CD1 3.14Å; E38-I42 VanDerWaalsContact O-CG1 3.22Å; E38-I42 WeakPolarHBondContact O-CG1 3.39Å; E38-I42 PolarHBondContact O-N 3.48Å |
| 39 | I | 55.6 | Low | 51.7 | Low | 51 Ų | 51 | 111 Ų | 111 | 26% | 0.262 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.1 | -48 | 173.9 | -69.8 | 160.7 | 0 | 0 | 0 | 110.4 | H35 K41 I42 M43 F110 | H35-I39 WeakPolarHBondContact CE1-CD1 3.33Å; H35-I39 WeakPolarHBondContact ND1-CD1 3.25Å; H35-I39 VanDerWaalsContact O-CB 3.29Å; H35-I39 WeakPolarHBondContact O-CB 3.34Å; H35-I39 VanDerWaalsContact O-CD1 3.28Å; H35-I39 WeakPolarHBondContact O-CD1 3.37Å; H35-I39 WeakPolarHBondContact O-CG1 2.88Å; H35-I39 PolarHBondContact O-N 3.05Å; I39-K41 VanDerWaalsContact C-N 3.26Å; I39-K41 PolarHBondContact O-N 2.78Å; I39-I42 PolarHBondContact O-N 3.2Å; I39-M43 WeakPolarHBondContact O-CB 3.16Å; I39-M43 PolarHBondContact O-N 3.02Å; I39-F110 HydrophobicContact CB-CE1 4.19Å; I39-F110 HydrophobicContact CG1-CD1 4.44Å; I39-F110 HydrophobicContact CG1-CE1 4.26Å; I39-F110 HydrophobicContact CG2-CD1 4.22Å; I39-F110 HydrophobicContact CG2-CE1 3.79Å; I39-F110 HydrophobicContact CG2-CZ 4.27Å |
| 40 | S | 58.1 | Low | 52 | Low | 65 Ų | 65 | 105.3 Ų | 105.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -30.1 | -177.6 | 71.5 | 0 | 0 | 0 | 0 | 113.3 | R36 A37 E38 R44 | R36-S40 WeakPolarHBondContact O-CB 3.25Å; R36-S40 PolarHBondContact O-N 3.42Å; R36-S40 PolarHBondContact O-OG 3.38Å; A37-S40 PolarHBondContact O-N 2.89Å; A37-S40 PolarHBondContact O-OG 2.81Å; E38-S40 VanDerWaalsContact C-N 3.32Å; E38-S40 PolarHBondContact O-N 3.41Å; S40-R44 PolarHBondContact O-N 2.87Å; S40-R44 VanDerWaalsContact O-N 3.17Å |
| 41 | K | 61.1 | Low | 52 | Low | 130 Ų | 130 | 108.9 Ų | 108.9 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -77.7 | -46 | -179.8 | -153.2 | 174.3 | -175.8 | 179.8 | 0 | 111.1 | A37 E38 I39 M43 R44 E45 | A37-K41 WeakPolarHBondContact O-CB 3.41Å; A37-K41 PolarHBondContact O-N 3.48Å; E38-K41 PolarHBondContact O-N 2.62Å; I39-K41 VanDerWaalsContact C-N 3.26Å; I39-K41 PolarHBondContact O-N 2.78Å; K41-M43 VanDerWaalsContact C-N 3.26Å; K41-M43 PolarHBondContact O-N 3.46Å; K41-R44 WeakPolarHBondContact O-CA 3.28Å; K41-R44 VanDerWaalsContact O-CB 3.3Å; K41-R44 WeakPolarHBondContact O-CB 3.39Å; K41-R44 PolarHBondContact O-N 2.89Å; K41-R44 VanDerWaalsContact O-N 3.08Å; K41-E45 PolarHBondContact O-N 3.5Å |
| 42 | I | 55.8 | Low | 51.9 | Low | 70 Ų | 70 | 112.4 Ų | 112.4 | 36% | 0.359 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -34.7 | 173.5 | -61.8 | 161.8 | 0 | 0 | 0 | 110.6 | E38 I39 R44 E45 C46 F110 | E38-I42 WeakPolarHBondContact O-CB 3.33Å; E38-I42 WeakPolarHBondContact O-CD1 3.14Å; E38-I42 VanDerWaalsContact O-CG1 3.22Å; E38-I42 WeakPolarHBondContact O-CG1 3.39Å; E38-I42 PolarHBondContact O-N 3.48Å; I39-I42 PolarHBondContact O-N 3.2Å; I42-R44 VanDerWaalsContact C-N 3.29Å; I42-R44 PolarHBondContact O-N 2.9Å; I42-E45 PolarHBondContact O-N 2.95Å; I42-C46 WeakPolarHBondContact O-CB 3.37Å; I42-C46 PolarHBondContact O-N 3.46Å; I42-F110 HydrophobicContact CB-CE1 3.99Å; I42-F110 HydrophobicContact CB-CZ 3.72Å; I42-F110 HydrophobicContact CG2-CE1 3.86Å; I42-F110 HydrophobicContact CG2-CE2 4.29Å; I42-F110 HydrophobicContact CG2-CZ 3.49Å; I42-F110 VanDerWaalsContact CG2-CZ 3.49Å |
| 43 | M | 55.6 | Low | 51.7 | Low | 103 Ų | 103 | 114.8 Ų | 114.8 | 51% | 0.507 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.2 | -31.3 | 176.7 | -160.1 | 168.1 | 77.7 | 0 | 0 | 111.2 | I39 K41 Q47 F110 | I39-M43 WeakPolarHBondContact O-CB 3.16Å; I39-M43 PolarHBondContact O-N 3.02Å; K41-M43 VanDerWaalsContact C-N 3.26Å; K41-M43 PolarHBondContact O-N 3.46Å; M43-Q47 VanDerWaalsContact O-CG 3.27Å; M43-Q47 WeakPolarHBondContact O-CG 3.37Å; M43-Q47 PolarHBondContact O-N 2.95Å; M43-F110 HydrophobicContact CB-CE2 4.16Å; M43-F110 HydrophobicContact CB-CZ 3.97Å; M43-F110 HydrophobicContact CG-CE2 4.32Å |
| 44 | R | 58.5 | Low | 52 | Low | 203 Ų | 203 | 116.9 Ų | 116.9 | 77% | 0.766 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.5 | -43.5 | 170.7 | -105.3 | -174 | 169.5 | 179.2 | -2.9 | 112.5 | S40 K41 I42 Q47 E48 | S40-R44 PolarHBondContact O-N 2.87Å; S40-R44 VanDerWaalsContact O-N 3.17Å; K41-R44 WeakPolarHBondContact O-CA 3.28Å; K41-R44 VanDerWaalsContact O-CB 3.3Å; K41-R44 WeakPolarHBondContact O-CB 3.39Å; K41-R44 PolarHBondContact O-N 2.89Å; K41-R44 VanDerWaalsContact O-N 3.08Å; I42-R44 VanDerWaalsContact C-N 3.29Å; I42-R44 PolarHBondContact O-N 2.9Å; R44-Q47 WeakPolarHBondContact O-CB 3.3Å; R44-Q47 PolarHBondContact O-N 3.42Å; R44-Q47 VanDerWaalsContact O-N 3.15Å; R44-E48 PolarHBondContact O-N 2.84Å |
| 45 | E | 53.7 | Low | 52.1 | Low | 112 Ų | 112 | 113.6 Ų | 113.6 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 175.4 | -70.2 | 177 | -170.4 | 0 | 0 | 111.8 | K41 I42 Q47 E48 E49 | K41-E45 PolarHBondContact O-N 3.5Å; I42-E45 PolarHBondContact O-N 2.95Å; E45-Q47 PolarHBondContact O-N 2.84Å; E45-E48 PolarHBondContact O-N 3.48Å; E45-E48 VanDerWaalsContact O-N 3.15Å; E45-E49 PolarHBondContact O-N 3.42Å |
| 46 | C | 54.4 | Low | 51.8 | Low | 32 Ų | 32 | 115.6 Ų | 115.6 | 22% | 0.216 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -60.6 | -32.5 | 171.7 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | I42 S50 C106 | I42-C46 WeakPolarHBondContact O-CB 3.37Å; I42-C46 PolarHBondContact O-N 3.46Å; C46-S50 WeakPolarHBondContact O-CB 3.46Å; C46-S50 PolarHBondContact O-N 2.88Å; C46-S50 PolarHBondContact O-OG 3.28Å; C46-C106 WeakPolarHBondContact CB-SG 3.38Å; C46-C106 WeakPolarHBondContact SG-CB 3.31Å; C46-C106 CovalentContact SG-SG 2.1Å; C46-C106 PolarHBondContact SG-SG 3.39Å |
| 47 | Q | 49.8 | Very low | 51.4 | Low | 129 Ų | 129 | 109.1 Ų | 109.1 | 60% | 0.603 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.1 | -35 | 175.8 | -69.4 | -75.9 | -56.3 | 0 | 0 | 112.4 | M43 R44 E45 | M43-Q47 VanDerWaalsContact O-CG 3.27Å; M43-Q47 WeakPolarHBondContact O-CG 3.37Å; M43-Q47 PolarHBondContact O-N 2.95Å; R44-Q47 WeakPolarHBondContact O-CB 3.3Å; R44-Q47 PolarHBondContact O-N 3.42Å; R44-Q47 VanDerWaalsContact O-N 3.15Å; E45-Q47 PolarHBondContact O-N 2.84Å |
| 48 | E | 52.8 | Low | 51 | Low | 158 Ų | 158 | 113.9 Ų | 113.9 | 74% | 0.738 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -81.9 | -42.9 | -173.2 | -162 | 159.3 | 88.8 | 0 | 0 | 112.3 | R44 E45 | R44-E48 PolarHBondContact O-N 2.84Å; E45-E48 PolarHBondContact O-N 3.48Å; E45-E48 VanDerWaalsContact O-N 3.15Å |
| 49 | E | 45.5 | Very low | 50.8 | Low | 154 Ų | 154 | 113 Ų | 113 | 72% | 0.72 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.8 | -35.1 | 179.6 | -77.5 | -79.4 | 121.1 | 0 | 0 | 113.2 | E45 F51 | E45-E49 PolarHBondContact O-N 3.42Å; E49-F51 PolarHBondContact O-N 3.39Å |
| 50 | S | 47.4 | Very low | 50.7 | Low | 31 Ų | 31 | 116 Ų | 116 | 22% | 0.217 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -75.1 | -25.4 | -175.1 | -77.6 | 0 | 0 | 0 | 0 | 114.3 | C46 W52 R54 A55 Y102 | C46-S50 WeakPolarHBondContact O-CB 3.46Å; C46-S50 PolarHBondContact O-N 2.88Å; C46-S50 PolarHBondContact O-OG 3.28Å; S50-W52 PolarHBondContact O-N 2.89Å; S50-R54 PolarHBondContact O-N 3.31Å; S50-A55 PolarHBondContact O-N 3.14Å; S50-Y102 WeakPolarHBondContact CB-OH 3.42Å; S50-Y102 PolarHBondContact OG-OH 3.49Å |
| 51 | F | 43.6 | Very low | 50.8 | Low | 142 Ų | 142 | 116.7 Ų | 116.7 | 62% | 0.623 | 55% | 0.55 | S | S | * | * | I | π-helix | trans | -62.1 | -33.8 | -179.8 | -153.7 | -93.7 | 0 | 0 | 0 | 111.3 | E49 L56 | E49-F51 PolarHBondContact O-N 3.39Å; F51-L56 PolarHBondContact O-N 3.29Å |
| 52 | W | 42.5 | Very low | 50.4 | Low | 208 Ų | 208 | 113.6 Ų | 113.6 | 79% | 0.788 | 55% | 0.545 | S | S | * | . | I | π-helix | trans | -92.8 | -36.9 | -174.3 | -96.2 | 52.4 | 0 | 0 | 0 | 114.9 | S50 | S50-W52 PolarHBondContact O-N 2.89Å |
| 53 | K | 40.5 | Very low | 50.3 | Low | 185 Ų | 185 | 116.3 Ų | 116.3 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | I | π-helix | trans | -96.8 | -15 | -173.8 | -87.5 | -74 | -178.5 | 178.4 | 0 | 115.6 | ||
| 54 | R | 50.2 | Low | 50.4 | Low | 185 Ų | 185 | 117 Ų | 117 | 70% | 0.698 | 56% | 0.563 | S | S | * | * | I | π-helix | trans | -142 | -25.8 | -176.3 | -132.5 | 159.8 | -179.6 | 144.2 | -2 | 115.4 | S50 P57 F58 | S50-R54 PolarHBondContact O-N 3.31Å; R54-P57 WeakPolarHBondContact O-CD 3.47Å; R54-P57 WeakPolarHBondContact O-CG 3.38Å; R54-F58 PolarHBondContact O-N 2.85Å |
| 55 | A | 46.9 | Very low | 50.3 | Low | 28 Ų | 28 | 111 Ų | 111 | 23% | 0.231 | 55% | 0.549 | C | S | . | . | I | π-helix | trans | -77.5 | -33.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S50 F58 S59 | S50-A55 PolarHBondContact O-N 3.14Å; A55-F58 PolarHBondContact O-N 3.31Å; A55-S59 VanDerWaalsContact O-CB 3.23Å; A55-S59 WeakPolarHBondContact O-CB 3.44Å; A55-S59 PolarHBondContact O-N 3.41Å |
| 56 | L | 48.2 | Very low | 50.2 | Low | 86 Ų | 86 | 109 Ų | 109 | 45% | 0.45 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.4 | -52.3 | 173.2 | -81.5 | 173.9 | 0 | 0 | 0 | 114 | F51 F58 S59 L60 | F51-L56 PolarHBondContact O-N 3.29Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 2.82Å; L56-S59 PolarHBondContact O-N 3.38Å; L56-L60 WeakPolarHBondContact O-CB 3.31Å; L56-L60 PolarHBondContact O-N 2.89Å |
| 57 | P | 46.5 | Very low | 50 | Low | 65 Ų | 65 | 113 Ų | 113 | 42% | 0.422 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66 | -34.8 | 178.1 | 23.5 | -32.4 | 0 | 0 | 0 | 112 | R54 V61 | R54-P57 WeakPolarHBondContact O-CD 3.47Å; R54-P57 WeakPolarHBondContact O-CG 3.38Å; P57-V61 WeakPolarHBondContact O-CB 3.16Å; P57-V61 WeakPolarHBondContact O-CG2 3.15Å; P57-V61 PolarHBondContact O-N 3.05Å |
| 58 | F | 49.5 | Very low | 50.4 | Low | 154 Ų | 154 | 108.5 Ų | 108.5 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.7 | -35 | 176.1 | -119.1 | -89.2 | 0 | 0 | 0 | 112.9 | R54 A55 L56 S62 | R54-F58 PolarHBondContact O-N 2.85Å; A55-F58 PolarHBondContact O-N 3.31Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 2.82Å; F58-S62 WeakPolarHBondContact O-CB 3.09Å; F58-S62 PolarHBondContact O-N 3.3Å |
| 59 | S | 50.5 | Low | 50.4 | Low | 81 Ų | 81 | 105.7 Ų | 105.7 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.2 | -38.9 | 174.9 | -156.6 | 0 | 0 | 0 | 0 | 111.4 | A55 L56 M63 | A55-S59 VanDerWaalsContact O-CB 3.23Å; A55-S59 WeakPolarHBondContact O-CB 3.44Å; A55-S59 PolarHBondContact O-N 3.41Å; L56-S59 PolarHBondContact O-N 3.38Å; S59-M63 VanDerWaalsContact O-CB 3.25Å; S59-M63 WeakPolarHBondContact O-CB 3.16Å; S59-M63 PolarHBondContact O-N 3.11Å |
| 60 | L | 54.3 | Low | 50.7 | Low | 115 Ų | 115 | 102.6 Ų | 102.6 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.9 | -45.1 | 172.2 | -123.5 | 89.5 | 0 | 0 | 0 | 111.3 | L56 M63 L64 | L56-L60 WeakPolarHBondContact O-CB 3.31Å; L56-L60 PolarHBondContact O-N 2.89Å; L60-M63 PolarHBondContact O-N 2.78Å; L60-L64 WeakPolarHBondContact O-CB 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.27Å |
| 61 | V | 60.3 | Low | 50.7 | Low | 79 Ų | 79 | 111.1 Ų | 111.1 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.2 | -43.6 | 177.7 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | P57 M63 L64 V65 | P57-V61 WeakPolarHBondContact O-CB 3.16Å; P57-V61 WeakPolarHBondContact O-CG2 3.15Å; P57-V61 PolarHBondContact O-N 3.05Å; V61-M63 VanDerWaalsContact C-N 3.29Å; V61-M63 PolarHBondContact O-N 2.76Å; V61-L64 PolarHBondContact O-N 3.38Å; V61-V65 HydrophobicContact CG1-CG2 4.18Å; V61-V65 VanDerWaalsContact O-CB 3.29Å; V61-V65 WeakPolarHBondContact O-CB 3.23Å; V61-V65 WeakPolarHBondContact O-CG2 3.21Å; V61-V65 PolarHBondContact O-N 2.81Å |
| 62 | S | 51.4 | Low | 51.1 | Low | 65 Ų | 65 | 111.5 Ų | 111.5 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.7 | -39.2 | 174.6 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | F58 T66 | F58-S62 WeakPolarHBondContact O-CB 3.09Å; F58-S62 PolarHBondContact O-N 3.3Å; S62-T66 VanDerWaalsContact O-CB 3.28Å; S62-T66 WeakPolarHBondContact O-CB 3.41Å; S62-T66 PolarHBondContact O-N 3.32Å; S62-T66 PolarHBondContact O-OG1 3.31Å |
| 63 | M | 53.3 | Low | 51.5 | Low | 128 Ų | 128 | 103.8 Ų | 103.8 | 63% | 0.631 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.3 | -37.7 | 177.6 | -168.6 | 147.1 | -174.2 | 0 | 0 | 112 | S59 L60 V61 T66 Q67 | S59-M63 VanDerWaalsContact O-CB 3.25Å; S59-M63 WeakPolarHBondContact O-CB 3.16Å; S59-M63 PolarHBondContact O-N 3.11Å; L60-M63 PolarHBondContact O-N 2.78Å; V61-M63 VanDerWaalsContact C-N 3.29Å; V61-M63 PolarHBondContact O-N 2.76Å; M63-T66 PolarHBondContact O-N 3.42Å; M63-Q67 VanDerWaalsContact O-CB 3.31Å; M63-Q67 WeakPolarHBondContact O-CB 3.29Å; M63-Q67 WeakPolarHBondContact O-CG 3.27Å; M63-Q67 PolarHBondContact O-N 2.8Å |
| 64 | L | 58.5 | Low | 51.7 | Low | 116 Ų | 116 | 105 Ų | 105 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.9 | -40.8 | 172.7 | -83.2 | 165 | 0 | 0 | 0 | 112.5 | L60 V61 T66 Q67 G68 | L60-L64 WeakPolarHBondContact O-CB 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.27Å; V61-L64 PolarHBondContact O-N 3.38Å; L64-T66 VanDerWaalsContact C-N 3.33Å; L64-Q67 PolarHBondContact O-N 3.42Å; L64-G68 PolarHBondContact O-N 3.49Å |
| 65 | V | 56 | Low | 51.5 | Low | 78 Ų | 78 | 98.6 Ų | 98.6 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 173.8 | 168.9 | 0 | 0 | 0 | 0 | 110 | V61 G68 L69 | V61-V65 HydrophobicContact CG1-CG2 4.18Å; V61-V65 VanDerWaalsContact O-CB 3.29Å; V61-V65 WeakPolarHBondContact O-CB 3.23Å; V61-V65 WeakPolarHBondContact O-CG2 3.21Å; V61-V65 PolarHBondContact O-N 2.81Å; V65-G68 PolarHBondContact O-N 3.42Å; V65-L69 HydrophobicContact CG1-CD1 4.12Å; V65-L69 WeakPolarHBondContact O-CB 3.43Å; V65-L69 WeakPolarHBondContact O-CD1 3.07Å; V65-L69 PolarHBondContact O-N 3.49Å |
| 66 | T | 52.7 | Low | 51.8 | Low | 70 Ų | 70 | 101.6 Ų | 101.6 | 43% | 0.429 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -45.3 | 175.7 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | S62 M63 L64 G68 L69 V70 | S62-T66 VanDerWaalsContact O-CB 3.28Å; S62-T66 WeakPolarHBondContact O-CB 3.41Å; S62-T66 PolarHBondContact O-N 3.32Å; S62-T66 PolarHBondContact O-OG1 3.31Å; M63-T66 PolarHBondContact O-N 3.42Å; L64-T66 VanDerWaalsContact C-N 3.33Å; T66-G68 VanDerWaalsContact C-N 3.35Å; T66-G68 PolarHBondContact O-N 2.85Å; T66-L69 PolarHBondContact O-N 3.39Å; T66-V70 WeakPolarHBondContact O-CB 3.37Å; T66-V70 WeakPolarHBondContact O-CG2 3.41Å; T66-V70 PolarHBondContact O-N 2.88Å |
| 67 | Q | 49.9 | Very low | 51.7 | Low | 115 Ų | 115 | 101.7 Ų | 101.7 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.5 | -42.7 | 174.3 | -74.1 | -116.1 | 48.7 | 0 | 0 | 111.3 | M63 L64 V70 Y71 | M63-Q67 VanDerWaalsContact O-CB 3.31Å; M63-Q67 WeakPolarHBondContact O-CB 3.29Å; M63-Q67 WeakPolarHBondContact O-CG 3.27Å; M63-Q67 PolarHBondContact O-N 2.8Å; L64-Q67 PolarHBondContact O-N 3.42Å; Q67-V70 PolarHBondContact O-N 3.01Å; Q67-Y71 WeakPolarHBondContact O-CB 3.35Å; Q67-Y71 PolarHBondContact O-N 3.5Å |
| 68 | G | 57.3 | Low | 51.7 | Low | 36 Ų | 36 | 104.5 Ų | 104.5 | 37% | 0.371 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.8 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L64 V65 T66 V70 Y71 Q72 | L64-G68 PolarHBondContact O-N 3.49Å; V65-G68 PolarHBondContact O-N 3.42Å; T66-G68 VanDerWaalsContact C-N 3.35Å; T66-G68 PolarHBondContact O-N 2.85Å; G68-V70 VanDerWaalsContact C-N 3.32Å; G68-V70 PolarHBondContact O-N 3.02Å; G68-Y71 PolarHBondContact O-N 3.42Å; G68-Q72 WeakPolarHBondContact O-CB 3.44Å; G68-Q72 PolarHBondContact O-N 3.46Å |
| 69 | L | 52.9 | Low | 51.7 | Low | 99 Ų | 99 | 103.7 Ų | 103.7 | 52% | 0.518 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.3 | -35.1 | 174.2 | -105.2 | 74.4 | 0 | 0 | 0 | 112.3 | V65 T66 | V65-L69 HydrophobicContact CG1-CD1 4.12Å; V65-L69 WeakPolarHBondContact O-CB 3.43Å; V65-L69 WeakPolarHBondContact O-CD1 3.07Å; V65-L69 PolarHBondContact O-N 3.49Å; T66-L69 PolarHBondContact O-N 3.39Å |
| 70 | V | 51.5 | Low | 52 | Low | 89 Ų | 89 | 110.7 Ų | 110.7 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.6 | -39.1 | 174.6 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | T66 Q67 G68 | T66-V70 WeakPolarHBondContact O-CB 3.37Å; T66-V70 WeakPolarHBondContact O-CG2 3.41Å; T66-V70 PolarHBondContact O-N 2.88Å; Q67-V70 PolarHBondContact O-N 3.01Å; G68-V70 VanDerWaalsContact C-N 3.32Å; G68-V70 PolarHBondContact O-N 3.02Å |
| 71 | Y | 47.8 | Very low | 52 | Low | 209 Ų | 209 | 113.4 Ų | 113.4 | 82% | 0.82 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.9 | -30.9 | 179 | -131.5 | -90.2 | 0 | 0 | 0 | 113.2 | Q67 G68 G73 | Q67-Y71 WeakPolarHBondContact O-CB 3.35Å; Q67-Y71 PolarHBondContact O-N 3.5Å; G68-Y71 PolarHBondContact O-N 3.42Å; Y71-G73 PolarHBondContact O-N 3.35Å |
| 72 | Q | 51.9 | Low | 52.2 | Low | 150 Ų | 150 | 111.6 Ų | 111.6 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -1 | -176.9 | -141.4 | -148 | 10.7 | 0 | 0 | 113.9 | G68 Y74 | G68-Q72 WeakPolarHBondContact O-CB 3.44Å; G68-Q72 PolarHBondContact O-N 3.46Å; Q72-Y74 PolarHBondContact O-N 3.39Å |
| 73 | G | 51.7 | Low | 52.3 | Low | 47 Ų | 47 | 110.2 Ų | 110.2 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.6 | 12.2 | 166 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y71 L75 | Y71-G73 PolarHBondContact O-N 3.35Å; G73-L75 PolarHBondContact O-N 3.18Å |
| 74 | Y | 45.3 | Very low | 52.3 | Low | 211 Ų | 211 | 110.6 Ų | 110.6 | 83% | 0.827 | 60% | 0.6 | S | S | * | * | trans | -73 | 18.8 | 178 | -148.9 | -97 | 0 | 0 | 0 | 113.6 | Q72 | Q72-Y74 PolarHBondContact O-N 3.39Š| ||
| 75 | L | 44.4 | Very low | 52.4 | Low | 49 Ų | 49 | 108.8 Ų | 108.8 | 26% | 0.257 | 60% | 0.595 | S | S | . | * | trans | -113.2 | 41.9 | -176.6 | -100.4 | 86.5 | 0 | 0 | 0 | 109.1 | G73 S83 V87 | G73-L75 PolarHBondContact O-N 3.18Å; L75-S83 VanDerWaalsContact C-CB 3.47Å; L75-S83 WeakPolarHBondContact CB-OG 3.38Å; L75-S83 WeakPolarHBondContact CD2-O 3.47Å; L75-S83 WeakPolarHBondContact CD2-OG 3.44Å; L75-S83 VanDerWaalsContact CG-CB 3.48Å; L75-S83 WeakPolarHBondContact O-CB 3.3Å; L75-S83 PolarHBondContact O-OG 3.17Å; L75-S83 VanDerWaalsContact O-OG 3.05Å; L75-V87 HydrophobicContact CD1-CG2 3.15Å; L75-V87 HydrophobicContact CD2-CB 3.69Å; L75-V87 HydrophobicContact CD2-CG1 4.46Å; L75-V87 HydrophobicContact CD2-CG2 3.1Å; L75-V87 HydrophobicContact CG-CB 4.49Å; L75-V87 HydrophobicContact CG-CG2 3.42Å; L75-V87 VanDerWaalsContact CG-CG2 3.42Å | ||
| 76 | A | 54.8 | Low | 52.4 | Low | 91 Ų | 91 | 113.3 Ų | 113.3 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | trans | -126.7 | 78 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 77 | A | 44.7 | Very low | 52.7 | Low | 89 Ų | 89 | 112 Ų | 112 | 74% | 0.736 | 60% | 0.6 | S | S | * | * | trans | -167.2 | 64.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 78 | N | 46.6 | Very low | 53.3 | Low | 124 Ų | 124 | 109 Ų | 109 | 66% | 0.663 | 60% | 0.595 | S | S | * | * | trans | -170.6 | 121.8 | 141.1 | -107 | -44.2 | 0 | 0 | 0 | 112.5 | R80 G82 | N78-R80 VanDerWaalsContact C-N 3.29Å; N78-R80 PolarHBondContact O-N 3.44Å; N78-R80 VanDerWaalsContact O-N 3.15Å; N78-G82 PolarHBondContact O-N 3.01Å | ||
| 79 | P | 50.5 | Low | 53.6 | Low | 137 Ų | 137 | 112.6 Ų | 112.6 | 89% | 0.89 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 3.4 | -167.9 | 28.9 | -35.1 | 0 | 0 | 0 | 116.3 | ||
| 80 | R | 56.2 | Low | 54 | Low | 227 Ų | 227 | 110.7 Ų | 110.7 | 86% | 0.857 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | -22.9 | -173.4 | -157 | 164.5 | -171.9 | 135.5 | 0.3 | 116.7 | N78 | N78-R80 VanDerWaalsContact C-N 3.29Å; N78-R80 PolarHBondContact O-N 3.44Å; N78-R80 VanDerWaalsContact O-N 3.15Å |
| 81 | F | 54.6 | Low | 54.5 | Low | 173 Ų | 173 | 108.4 Ų | 108.4 | 76% | 0.759 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | 4.8 | 176.5 | -83 | -82 | 0 | 0 | 0 | 113.1 | ||
| 82 | G | 63.4 | Low | 55.5 | Low | 40 Ų | 40 | 104.2 Ų | 104.2 | 41% | 0.412 | 59% | 0.589 | S | S | . | * | trans | 58.9 | -164.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N78 | N78-G82 PolarHBondContact O-N 3.01Š| ||
| 83 | S | 54 | Low | 56.2 | Low | 37 Ų | 37 | 102.7 Ų | 102.7 | 26% | 0.259 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -99.9 | -3.6 | -170.6 | 51 | 0 | 0 | 0 | 0 | 114.8 | L75 K86 V87 | L75-S83 VanDerWaalsContact C-CB 3.47Å; L75-S83 WeakPolarHBondContact CB-OG 3.38Å; L75-S83 WeakPolarHBondContact CD2-O 3.47Å; L75-S83 WeakPolarHBondContact CD2-OG 3.44Å; L75-S83 VanDerWaalsContact CG-CB 3.48Å; L75-S83 WeakPolarHBondContact O-CB 3.3Å; L75-S83 PolarHBondContact O-OG 3.17Å; L75-S83 VanDerWaalsContact O-OG 3.05Å; S83-K86 PolarHBondContact O-N 3.4Å; S83-V87 PolarHBondContact O-N 3.17Å |
| 84 | L | 53.3 | Low | 56.5 | Low | 136 Ų | 136 | 102.6 Ų | 102.6 | 71% | 0.712 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.8 | -44.9 | -179.2 | -65.2 | 171 | 0 | 0 | 0 | 114.7 | K86 V87 A88 | L84-K86 VanDerWaalsContact C-N 3.31Å; L84-K86 PolarHBondContact O-N 3.34Å; L84-V87 PolarHBondContact O-N 2.7Å; L84-A88 VanDerWaalsContact O-CB 3.29Å; L84-A88 WeakPolarHBondContact O-CB 3.05Å; L84-A88 PolarHBondContact O-N 3.15Å |
| 85 | P | 60.5 | Low | 57.2 | Low | 78 Ų | 78 | 99 Ų | 99 | 51% | 0.506 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.3 | -29.3 | -178.5 | 23.1 | -31.1 | 0 | 0 | 0 | 113 | L89 | P85-L89 WeakPolarHBondContact O-CB 3.12Å; P85-L89 PolarHBondContact O-N 3.49Å; P85-L89 VanDerWaalsContact O-N 3.07Å |
| 86 | K | 56 | Low | 57.9 | Low | 173 Ų | 173 | 98.1 Ų | 98.1 | 75% | 0.752 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -74.7 | -35.3 | 179.9 | -159.6 | 178.5 | 179.8 | 86.7 | 0 | 111.7 | S83 L84 A90 | S83-K86 PolarHBondContact O-N 3.4Å; L84-K86 VanDerWaalsContact C-N 3.31Å; L84-K86 PolarHBondContact O-N 3.34Å; K86-A90 VanDerWaalsContact O-CB 3.31Å; K86-A90 WeakPolarHBondContact O-CB 3.28Å; K86-A90 PolarHBondContact O-N 3.22Å |
| 87 | V | 58.9 | Low | 58.3 | Low | 41 Ų | 41 | 100.2 Ų | 100.2 | 25% | 0.248 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -81.1 | -33.4 | 174.9 | 167 | 0 | 0 | 0 | 0 | 113.3 | L75 S83 L84 L89 G91 | L75-V87 HydrophobicContact CD1-CG2 3.15Å; L75-V87 HydrophobicContact CD2-CB 3.69Å; L75-V87 HydrophobicContact CD2-CG1 4.46Å; L75-V87 HydrophobicContact CD2-CG2 3.1Å; L75-V87 HydrophobicContact CG-CB 4.49Å; L75-V87 HydrophobicContact CG-CG2 3.42Å; L75-V87 VanDerWaalsContact CG-CG2 3.42Å; S83-V87 PolarHBondContact O-N 3.17Å; L84-V87 PolarHBondContact O-N 2.7Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-G91 WeakPolarHBondContact O-CA 3.29Å; V87-G91 PolarHBondContact O-N 3.21Å |
| 88 | A | 64.1 | Low | 58.7 | Low | 53 Ų | 53 | 98 Ų | 98 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.6 | -47 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | L84 G91 L92 | L84-A88 VanDerWaalsContact O-CB 3.29Å; L84-A88 WeakPolarHBondContact O-CB 3.05Å; L84-A88 PolarHBondContact O-N 3.15Å; A88-G91 PolarHBondContact O-N 3.4Å; A88-L92 WeakPolarHBondContact O-CB 3.17Å; A88-L92 WeakPolarHBondContact O-CD1 3.01Å; A88-L92 PolarHBondContact O-N 2.83Å |
| 89 | L | 63 | Low | 59 | Low | 111 Ų | 111 | 97.6 Ų | 97.6 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.7 | -42.8 | 179.6 | -162.8 | 71.8 | 0 | 0 | 0 | 112.6 | P85 V87 G91 L92 L93 | P85-L89 WeakPolarHBondContact O-CB 3.12Å; P85-L89 PolarHBondContact O-N 3.49Å; P85-L89 VanDerWaalsContact O-N 3.07Å; V87-L89 VanDerWaalsContact C-N 3.33Å; L89-G91 VanDerWaalsContact C-N 3.32Å; L89-G91 PolarHBondContact O-N 3.5Å; L89-L92 PolarHBondContact O-N 3.36Å; L89-L93 HydrophobicContact CG-CD1 4.22Å; L89-L93 WeakPolarHBondContact O-CB 3.33Å; L89-L93 VanDerWaalsContact O-CG 3.25Å; L89-L93 WeakPolarHBondContact O-CG 3.22Å; L89-L93 PolarHBondContact O-N 2.87Å |
| 90 | A | 60.9 | Low | 59.3 | Low | 59 Ų | 59 | 96 Ų | 96 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K86 G94 | K86-A90 VanDerWaalsContact O-CB 3.31Å; K86-A90 WeakPolarHBondContact O-CB 3.28Å; K86-A90 PolarHBondContact O-N 3.22Å; A90-G94 PolarHBondContact O-N 3.22Å |
| 91 | G | 61.7 | Low | 59 | Low | 41 Ų | 41 | 89 Ų | 89 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V87 A88 L89 G94 F95 | V87-G91 WeakPolarHBondContact O-CA 3.29Å; V87-G91 PolarHBondContact O-N 3.21Å; A88-G91 PolarHBondContact O-N 3.4Å; L89-G91 VanDerWaalsContact C-N 3.32Å; L89-G91 PolarHBondContact O-N 3.5Å; G91-G94 PolarHBondContact O-N 3.06Å; G91-F95 WeakPolarHBondContact O-CB 3.27Å; G91-F95 PolarHBondContact O-N 3.35Å |
| 92 | L | 69.3 | Low | 58.8 | Low | 121 Ų | 121 | 85 Ų | 85 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 174.6 | -92.7 | 138.6 | 0 | 0 | 0 | 111.9 | A88 L89 G96 | A88-L92 WeakPolarHBondContact O-CB 3.17Å; A88-L92 WeakPolarHBondContact O-CD1 3.01Å; A88-L92 PolarHBondContact O-N 2.83Å; L89-L92 PolarHBondContact O-N 3.36Å; L92-G96 PolarHBondContact O-N 3.5Å |
| 93 | L | 65.6 | Low | 58.2 | Low | 118 Ų | 118 | 88.3 Ų | 88.3 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.7 | -42.9 | 175.3 | -72.3 | 170.2 | 0 | 0 | 0 | 111.4 | L89 G96 L97 | L89-L93 HydrophobicContact CG-CD1 4.22Å; L89-L93 WeakPolarHBondContact O-CB 3.33Å; L89-L93 VanDerWaalsContact O-CG 3.25Å; L89-L93 WeakPolarHBondContact O-CG 3.22Å; L89-L93 PolarHBondContact O-N 2.87Å; L93-G96 PolarHBondContact O-N 3.32Å; L93-L97 WeakPolarHBondContact O-CB 3.29Å; L93-L97 PolarHBondContact O-N 3.5Å |
| 94 | G | 58.9 | Low | 58.2 | Low | 46 Ų | 46 | 88.2 Ų | 88.2 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | A90 G91 G98 | A90-G94 PolarHBondContact O-N 3.22Å; G91-G94 PolarHBondContact O-N 3.06Å; G94-G98 PolarHBondContact O-N 3.47Å |
| 95 | F | 59.8 | Low | 58.2 | Low | 134 Ų | 134 | 86 Ų | 86 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.1 | -41.2 | 175.3 | -174.7 | -98.8 | 0 | 0 | 0 | 111.9 | G91 G98 K99 | G91-F95 WeakPolarHBondContact O-CB 3.27Å; G91-F95 PolarHBondContact O-N 3.35Å; F95-G98 PolarHBondContact O-N 3.28Å; F95-K99 HydrophobicContact CD1-CG 4.12Å; F95-K99 HydrophobicContact CE1-CD 4.44Å; F95-K99 HydrophobicContact CE1-CG 3.88Å; F95-K99 HydrophobicContact CZ-CD 4.34Å; F95-K99 HydrophobicContact CZ-CG 4.16Å; F95-K99 WeakPolarHBondContact O-CB 3.16Å; F95-K99 VanDerWaalsContact O-CG 3.25Å; F95-K99 WeakPolarHBondContact O-CG 3.35Å; F95-K99 PolarHBondContact O-N 3.15Å |
| 96 | G | 60.1 | Low | 57.8 | Low | 31 Ų | 31 | 83.5 Ų | 83.5 | 32% | 0.32 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L92 L93 G98 K99 V100 | L92-G96 PolarHBondContact O-N 3.5Å; L93-G96 PolarHBondContact O-N 3.32Å; G96-G98 VanDerWaalsContact C-N 3.33Å; G96-G98 PolarHBondContact O-N 3.5Å; G96-K99 PolarHBondContact O-N 3.48Å; G96-V100 VanDerWaalsContact O-CG2 3.3Å; G96-V100 WeakPolarHBondContact O-CG2 3.32Å; G96-V100 PolarHBondContact O-N 2.91Å |
| 97 | L | 62.7 | Low | 57.6 | Low | 136 Ų | 136 | 81.8 Ų | 81.8 | 71% | 0.712 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.8 | -36.8 | 177 | -138.4 | 73.3 | 0 | 0 | 0 | 111.7 | L93 S101 | L93-L97 WeakPolarHBondContact O-CB 3.29Å; L93-L97 PolarHBondContact O-N 3.5Å; L97-S101 WeakPolarHBondContact O-CB 3.17Å; L97-S101 PolarHBondContact O-N 3.34Å |
| 98 | G | 52.6 | Low | 57.3 | Low | 41 Ų | 41 | 83.2 Ų | 83.2 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | G94 F95 G96 Y102 | G94-G98 PolarHBondContact O-N 3.47Å; F95-G98 PolarHBondContact O-N 3.28Å; G96-G98 VanDerWaalsContact C-N 3.33Å; G96-G98 PolarHBondContact O-N 3.5Å; G98-Y102 WeakPolarHBondContact O-CB 3.47Å; G98-Y102 PolarHBondContact O-N 3.31Å; G98-Y102 VanDerWaalsContact O-N 3.11Å |
| 99 | K | 53 | Low | 56.7 | Low | 117 Ų | 117 | 88 Ų | 88 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 177 | -74.9 | -73.9 | -174.6 | 176.2 | 0 | 112.4 | F95 G96 Y102 I103 | F95-K99 HydrophobicContact CD1-CG 4.12Å; F95-K99 HydrophobicContact CE1-CD 4.44Å; F95-K99 HydrophobicContact CE1-CG 3.88Å; F95-K99 HydrophobicContact CZ-CD 4.34Å; F95-K99 HydrophobicContact CZ-CG 4.16Å; F95-K99 WeakPolarHBondContact O-CB 3.16Å; F95-K99 VanDerWaalsContact O-CG 3.25Å; F95-K99 WeakPolarHBondContact O-CG 3.35Å; F95-K99 PolarHBondContact O-N 3.15Å; G96-K99 PolarHBondContact O-N 3.48Å; K99-Y102 PolarHBondContact O-N 2.99Å; K99-I103 WeakPolarHBondContact O-CD1 3.2Å; K99-I103 WeakPolarHBondContact O-CG1 3.38Å; K99-I103 PolarHBondContact O-N 2.1Å; K99-I103 VanDerWaalsContact O-N 3.14Å |
| 100 | V | 56.7 | Low | 56.3 | Low | 103 Ų | 103 | 84.5 Ų | 84.5 | 62% | 0.624 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.4 | -41.7 | 178 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | G96 Y102 I103 G104 | G96-V100 VanDerWaalsContact O-CG2 3.3Å; G96-V100 WeakPolarHBondContact O-CG2 3.32Å; G96-V100 PolarHBondContact O-N 2.91Å; V100-Y102 PolarHBondContact O-N 3.45Å; V100-I103 PolarHBondContact O-N 2.77Å; V100-G104 PolarHBondContact O-N 3.07Å |
| 101 | S | 50.4 | Low | 56 | Low | 80 Ų | 80 | 88.6 Ų | 88.6 | 56% | 0.559 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -30.7 | 176 | -169.9 | 0 | 0 | 0 | 0 | 112.1 | L97 V105 | L97-S101 WeakPolarHBondContact O-CB 3.17Å; L97-S101 PolarHBondContact O-N 3.34Å; S101-V105 WeakPolarHBondContact O-CG2 3.31Å; S101-V105 PolarHBondContact O-N 3.26Å |
| 102 | Y | 50.8 | Low | 55.6 | Low | 88 Ų | 88 | 93.3 Ų | 93.3 | 35% | 0.345 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -78.9 | -39.9 | 178.6 | -155.6 | -105.8 | 0 | 0 | 0 | 114 | S50 G98 K99 V100 G104 V105 C106 | S50-Y102 WeakPolarHBondContact CB-OH 3.42Å; S50-Y102 PolarHBondContact OG-OH 3.49Å; G98-Y102 WeakPolarHBondContact O-CB 3.47Å; G98-Y102 PolarHBondContact O-N 3.31Å; G98-Y102 VanDerWaalsContact O-N 3.11Å; K99-Y102 PolarHBondContact O-N 2.99Å; V100-Y102 PolarHBondContact O-N 3.45Å; Y102-G104 VanDerWaalsContact C-N 3.3Å; Y102-G104 PolarHBondContact O-N 3.48Å; Y102-V105 PolarHBondContact O-N 3.05Å; Y102-C106 PolarHBondContact O-N 3.47Å |
| 103 | I | 50.8 | Low | 54.7 | Low | 110 Ų | 110 | 93.9 Ų | 93.9 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | 174.8 | -72.2 | 160.4 | 0 | 0 | 0 | 110.1 | K99 V100 V105 C106 Q107 | K99-I103 WeakPolarHBondContact O-CD1 3.2Å; K99-I103 WeakPolarHBondContact O-CG1 3.38Å; K99-I103 PolarHBondContact O-N 2.1Å; K99-I103 VanDerWaalsContact O-N 3.14Å; V100-I103 PolarHBondContact O-N 2.77Å; I103-V105 PolarHBondContact O-N 3.43Å; I103-C106 PolarHBondContact O-N 2.9Å; I103-Q107 WeakPolarHBondContact O-CB 3.29Å; I103-Q107 PolarHBondContact O-N 3.47Å |
| 104 | G | 53.2 | Low | 54.1 | Low | 35 Ų | 35 | 92.1 Ų | 92.1 | 36% | 0.361 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -34.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | V100 Y102 Q107 S108 | V100-G104 PolarHBondContact O-N 3.07Å; Y102-G104 VanDerWaalsContact C-N 3.3Å; Y102-G104 PolarHBondContact O-N 3.48Å; G104-Q107 PolarHBondContact O-N 3Å; G104-S108 PolarHBondContact O-N 2.8Å; G104-S108 PolarHBondContact O-OG 3.24Å |
| 105 | V | 52.9 | Low | 53.8 | Low | 89 Ų | 89 | 94.1 Ų | 94.1 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75 | -34.1 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 112.6 | S101 Y102 I103 Q107 S108 | S101-V105 WeakPolarHBondContact O-CG2 3.31Å; S101-V105 PolarHBondContact O-N 3.26Å; Y102-V105 PolarHBondContact O-N 3.05Å; I103-V105 PolarHBondContact O-N 3.43Å; V105-Q107 VanDerWaalsContact C-N 3.34Å; V105-S108 PolarHBondContact O-OG 3.18Å |
| 106 | C | 52.5 | Low | 53.3 | Low | 26 Ų | 26 | 94.1 Ų | 94.1 | 18% | 0.176 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -70.4 | -35.4 | 170.8 | -167.9 | 0 | 0 | 0 | 0 | 109.6 | C46 Y102 I103 S108 K109 F110 | C46-C106 WeakPolarHBondContact CB-SG 3.38Å; C46-C106 WeakPolarHBondContact SG-CB 3.31Å; C46-C106 CovalentContact SG-SG 2.1Å; C46-C106 PolarHBondContact SG-SG 3.39Å; Y102-C106 PolarHBondContact O-N 3.47Å; I103-C106 PolarHBondContact O-N 2.9Å; C106-S108 PolarHBondContact O-N 3.35Å; C106-K109 PolarHBondContact O-N 2.93Å; C106-F110 VanDerWaalsContact O-CD2 3.29Å; C106-F110 WeakPolarHBondContact O-CD2 3.4Å; C106-F110 PolarHBondContact O-N 3.36Å |
| 107 | Q | 50.9 | Low | 52.8 | Low | 138 Ų | 138 | 96.8 Ų | 96.8 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.5 | -34.5 | 177.6 | -143.8 | -174.9 | 32.2 | 0 | 0 | 114.2 | I103 G104 V105 F110 Y111 | I103-Q107 WeakPolarHBondContact O-CB 3.29Å; I103-Q107 PolarHBondContact O-N 3.47Å; G104-Q107 PolarHBondContact O-N 3Å; V105-Q107 VanDerWaalsContact C-N 3.34Å; Q107-F110 WeakPolarHBondContact O-CB 3.39Å; Q107-F110 PolarHBondContact O-N 3.08Å; Q107-Y111 PolarHBondContact O-N 2.97Å |
| 108 | S | 53.3 | Low | 52.1 | Low | 70 Ų | 70 | 97.3 Ų | 97.3 | 49% | 0.49 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.2 | -31.7 | 177.8 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | G104 V105 C106 Y111 F112 | G104-S108 PolarHBondContact O-N 2.8Å; G104-S108 PolarHBondContact O-OG 3.24Å; V105-S108 PolarHBondContact O-OG 3.18Å; C106-S108 PolarHBondContact O-N 3.35Å; S108-Y111 PolarHBondContact O-N 2.93Å; S108-F112 PolarHBondContact O-N 3.03Å |
| 109 | K | 51.1 | Low | 51.8 | Low | 155 Ų | 155 | 98.6 Ų | 98.6 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.9 | -36.6 | 169.2 | -75.3 | -72 | -173.6 | 178.4 | 0 | 112 | C106 F113 | C106-K109 PolarHBondContact O-N 2.93Å; K109-F113 PolarHBondContact O-N 2.68Å; K109-F113 VanDerWaalsContact O-N 3.15Å |
| 110 | F | 54.3 | Low | 51.5 | Low | 36 Ų | 36 | 97.3 Ų | 97.3 | 16% | 0.158 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 171 | -92.2 | -75 | 0 | 0 | 0 | 112.3 | I39 I42 M43 C106 Q107 F112 F113 E114 | I39-F110 HydrophobicContact CB-CE1 4.19Å; I39-F110 HydrophobicContact CG1-CD1 4.44Å; I39-F110 HydrophobicContact CG1-CE1 4.26Å; I39-F110 HydrophobicContact CG2-CD1 4.22Å; I39-F110 HydrophobicContact CG2-CE1 3.79Å; I39-F110 HydrophobicContact CG2-CZ 4.27Å; I42-F110 HydrophobicContact CB-CE1 3.99Å; I42-F110 HydrophobicContact CB-CZ 3.72Å; I42-F110 HydrophobicContact CG2-CE1 3.86Å; I42-F110 HydrophobicContact CG2-CE2 4.29Å; I42-F110 HydrophobicContact CG2-CZ 3.49Å; I42-F110 VanDerWaalsContact CG2-CZ 3.49Å; M43-F110 HydrophobicContact CB-CE2 4.16Å; M43-F110 HydrophobicContact CB-CZ 3.97Å; M43-F110 HydrophobicContact CG-CE2 4.32Å; C106-F110 VanDerWaalsContact O-CD2 3.29Å; C106-F110 WeakPolarHBondContact O-CD2 3.4Å; C106-F110 PolarHBondContact O-N 3.36Å; Q107-F110 WeakPolarHBondContact O-CB 3.39Å; Q107-F110 PolarHBondContact O-N 3.08Å; F110-F112 PolarHBondContact O-N 3.48Å; F110-F113 PolarHBondContact O-N 3.38Å; F110-E114 WeakPolarHBondContact O-CB 3.07Å; F110-E114 PolarHBondContact O-N 2.81Å |
| 111 | Y | 55.3 | Low | 51.2 | Low | 146 Ų | 146 | 94.8 Ų | 94.8 | 57% | 0.573 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -37.9 | 179.1 | -161.4 | -91.5 | 0 | 0 | 0 | 112.1 | Q107 S108 F113 E114 D115 | Q107-Y111 PolarHBondContact O-N 2.97Å; S108-Y111 PolarHBondContact O-N 2.93Å; Y111-F113 VanDerWaalsContact C-N 3.33Å; Y111-F113 PolarHBondContact O-N 2.87Å; Y111-E114 PolarHBondContact O-N 2.93Å; Y111-D115 WeakPolarHBondContact O-CB 3.22Å; Y111-D115 PolarHBondContact O-N 2.8Å |
| 112 | F | 52.8 | Low | 51 | Low | 139 Ų | 139 | 99.7 Ų | 99.7 | 61% | 0.61 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.4 | -34 | 174.9 | -168.3 | -95.6 | 0 | 0 | 0 | 112.7 | S108 F110 Q116 | S108-F112 PolarHBondContact O-N 3.03Å; F110-F112 PolarHBondContact O-N 3.48Å; F112-Q116 HydrophobicContact CE1-CG 4.39Å; F112-Q116 VanDerWaalsContact O-CG 3.29Å; F112-Q116 WeakPolarHBondContact O-CG 3.48Å; F112-Q116 PolarHBondContact O-N 3.42Å |
| 113 | F | 50.6 | Low | 50.5 | Low | 133 Ų | 133 | 98.7 Ų | 98.7 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -77.5 | -38.3 | 176.5 | -151.4 | -86.9 | 0 | 0 | 0 | 112.1 | K109 F110 Y111 D115 Q116 L117 | K109-F113 PolarHBondContact O-N 2.68Å; K109-F113 VanDerWaalsContact O-N 3.15Å; F110-F113 PolarHBondContact O-N 3.38Å; Y111-F113 VanDerWaalsContact C-N 3.33Å; Y111-F113 PolarHBondContact O-N 2.87Å; F113-D115 VanDerWaalsContact C-N 3.33Å; F113-Q116 PolarHBondContact O-N 3.45Å; F113-L117 HydrophobicContact CD1-CD1 3.98Å; F113-L117 HydrophobicContact CE1-CD1 3.85Å; F113-L117 PolarHBondContact O-N 2.94Å |
| 114 | E | 53.6 | Low | 50.2 | Low | 81 Ų | 81 | 99.6 Ų | 99.6 | 38% | 0.379 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.3 | -42.7 | 166.5 | -95.7 | -115.6 | 87.4 | 0 | 0 | 111.2 | H35 F110 Y111 L117 R118 | H35-E114 IonicContact CE1-OE1 2.99Å; H35-E114 PolarHBondContact CE1-OE1 2.85Å; H35-E114 IonicContact CE1-OE2 3.93Å; H35-E114 IonicContact ND1-OE1 3.86Å; H35-E114 IonicContact NE2-OE1 3.48Å; H35-E114 PolarHBondContact NE2-OE1 2.83Å; F110-E114 WeakPolarHBondContact O-CB 3.07Å; F110-E114 PolarHBondContact O-N 2.81Å; Y111-E114 PolarHBondContact O-N 2.93Å; E114-L117 CarbonylContact O-C 3.5Å; E114-L117 PolarHBondContact O-N 3.4Å; E114-L117 VanDerWaalsContact O-N 3.15Å; E114-R118 WeakPolarHBondContact O-CA 3.29Å; E114-R118 WeakPolarHBondContact O-CB 3.39Å; E114-R118 PolarHBondContact O-N 3.01Å |
| 115 | D | 51.8 | Low | 49.9 | Very low | 88 Ų | 88 | 105.9 Ų | 105.9 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.4 | -36.4 | 178.7 | -163.7 | -105 | 0 | 0 | 0 | 111.5 | Y111 F113 R118 G119 | Y111-D115 WeakPolarHBondContact O-CB 3.22Å; Y111-D115 PolarHBondContact O-N 2.8Å; F113-D115 VanDerWaalsContact C-N 3.33Å; D115-R118 PolarHBondContact O-N 3.29Å; D115-G119 WeakPolarHBondContact O-CA 3.48Å; D115-G119 PolarHBondContact O-N 2.71Å |
| 116 | Q | 50 | Low | 49.4 | Very low | 134 Ų | 134 | 109.1 Ų | 109.1 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.8 | -37.7 | 168.8 | -76.6 | -93.6 | 81.1 | 0 | 0 | 112.7 | F112 F113 A120 | F112-Q116 HydrophobicContact CE1-CG 4.39Å; F112-Q116 VanDerWaalsContact O-CG 3.29Å; F112-Q116 WeakPolarHBondContact O-CG 3.48Å; F112-Q116 PolarHBondContact O-N 3.42Å; F113-Q116 PolarHBondContact O-N 3.45Å; Q116-A120 PolarHBondContact O-N 3.15Å |
| 117 | L | 49.2 | Very low | 49 | Very low | 88 Ų | 88 | 114.8 Ų | 114.8 | 46% | 0.461 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.3 | -33.6 | 175.1 | -108.3 | 72.4 | 0 | 0 | 0 | 112.9 | F113 E114 A120 | F113-L117 HydrophobicContact CD1-CD1 3.98Å; F113-L117 HydrophobicContact CE1-CD1 3.85Å; F113-L117 PolarHBondContact O-N 2.94Å; E114-L117 CarbonylContact O-C 3.5Å; E114-L117 PolarHBondContact O-N 3.4Å; E114-L117 VanDerWaalsContact O-N 3.15Å; L117-A120 WeakPolarHBondContact O-CB 3.5Å; L117-A120 PolarHBondContact O-N 3.15Å |
| 118 | R | 49.4 | Very low | 48.6 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 55% | 0.551 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80.8 | -31 | 179.8 | -168.4 | 176.1 | -176.8 | 179.2 | -0.1 | 111.2 | E114 D115 A120 G121 F122 | E114-R118 WeakPolarHBondContact O-CA 3.29Å; E114-R118 WeakPolarHBondContact O-CB 3.39Å; E114-R118 PolarHBondContact O-N 3.01Å; D115-R118 PolarHBondContact O-N 3.29Å; R118-A120 PolarHBondContact O-N 3.14Å; R118-G121 CarbonylContact O-C 3.49Å; R118-G121 PolarHBondContact O-N 3.39Å; R118-F122 PolarHBondContact O-N 2.99Å; R118-F122 VanDerWaalsContact O-N 3.14Å |
| 119 | G | 44.3 | Very low | 47.7 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -18.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D115 G121 | D115-G119 WeakPolarHBondContact O-CA 3.48Å; D115-G119 PolarHBondContact O-N 2.71Å; G119-G121 VanDerWaalsContact C-N 3.26Å; G119-G121 PolarHBondContact O-N 3.49Å |
| 120 | A | 48.1 | Very low | 47.2 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 74% | 0.744 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 5.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q116 L117 R118 | Q116-A120 PolarHBondContact O-N 3.15Å; L117-A120 WeakPolarHBondContact O-CB 3.5Å; L117-A120 PolarHBondContact O-N 3.15Å; R118-A120 PolarHBondContact O-N 3.14Å |
| 121 | G | 50.4 | Low | 46.7 | Very low | 50 Ų | 50 | 129.6 Ų | 129.6 | 52% | 0.515 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -167.3 | 25.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 120 | R118 G119 | R118-G121 CarbonylContact O-C 3.49Å; R118-G121 PolarHBondContact O-N 3.39Å; G119-G121 VanDerWaalsContact C-N 3.26Å; G119-G121 PolarHBondContact O-N 3.49Å |
| 122 | F | 45.9 | Very low | 46.4 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | trans | -144.9 | 66.2 | 165.5 | -96.4 | -84.7 | 0 | 0 | 0 | 112 | R118 | R118-F122 PolarHBondContact O-N 2.99Å; R118-F122 VanDerWaalsContact O-N 3.14Å | ||
| 123 | G | 40.4 | Very low | 46 | Very low | 67 Ų | 67 | 129.7 Ų | 129.7 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | -104.6 | 145.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110 | Q125 | G123-Q125 PolarHBondContact O-N 3.44Š| ||
| 124 | P | 43.3 | Very low | 45.5 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | trans | -67.8 | 123.5 | 177.1 | 28.7 | -30.5 | 0 | 0 | 0 | 109.2 | H126 | P124-H126 PolarHBondContact O-N 3.36Š| ||
| 125 | Q | 48.4 | Very low | 45.1 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 32.4 | 84.3 | 149.5 | -104.9 | -89.9 | 30.3 | 0 | 0 | 115.6 | G123 | G123-Q125 PolarHBondContact O-N 3.44Š|
| 126 | H | 41.9 | Very low | 44.9 | Very low | 158 Ų | 158 | 134 Ų | 134 | 73% | 0.731 | 73% | 0.729 | S | S | * | * | -174.5 | 117.4 | 129.7 | -106.3 | 63.6 | 0 | 0 | 0 | 111.4 | P124 | P124-H126 PolarHBondContact O-N 3.36Š| |||
| 127 | N | 44.3 | Very low | 44.9 | Very low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | 49.7 | 70.3 | 142.1 | -157.5 | 12.7 | 0 | 0 | 0 | 118 | ||||
| 128 | R | 42.5 | Very low | 44.8 | Very low | 240 Ų | 240 | 136.2 Ų | 136.2 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | trans | -136.7 | 109.2 | 161.9 | -68.7 | -165.7 | 178.8 | 177.9 | 0.9 | 113.2 | ||||
| 129 | H | 34.3 | Very low | 44.8 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | 2.8 | 124.1 | 152.1 | -84.2 | -107.2 | 0 | 0 | 0 | 117.7 | L131 | H129-L131 PolarHBondContact O-N 2.98Š| ||
| 130 | C | 40 | Very low | 44.9 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 88% | 0.878 | 75% | 0.746 | S | S | * | * | trans | -48.5 | 117.5 | 164.6 | -73.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 131 | L | 45.2 | Very low | 44.9 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -114.6 | 37.6 | 176.6 | -136.3 | 171.1 | 0 | 0 | 0 | 111.8 | H129 | H129-L131 PolarHBondContact O-N 2.98Š| ||
| 132 | L | 47.1 | Very low | 44.4 | Very low | 138 Ų | 138 | 142 Ų | 142 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -145.8 | 95.4 | 163.4 | -133 | 72.9 | 0 | 0 | 0 | 108.7 | C134 | L132-C134 PolarHBondContact O-N 3.24Š|
| 133 | T | 45.3 | Very low | 44.3 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 91% | 0.908 | 74% | 0.74 | S | S | * | * | trans | -45 | 99.2 | 173.1 | 41.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 134 | C | 39.8 | Very low | 44.5 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 55% | 0.547 | 73% | 0.734 | S | S | . | * | trans | -94.1 | 118.3 | 160.1 | -154.1 | 0 | 0 | 0 | 0 | 106.4 | L132 E136 C137 | L132-C134 PolarHBondContact O-N 3.24Å; C134-E136 PolarHBondContact O-N 3.38Å; C134-C137 PolarHBondContact O-N 3.32Å | ||
| 135 | E | 46.3 | Very low | 44.6 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -50.8 | -28.6 | -178.6 | -159 | -174.6 | 102.1 | 0 | 0 | 112.2 | C137 K138 | E135-C137 PolarHBondContact O-N 3Å; E135-K138 PolarHBondContact O-N 3.29Å |
| 136 | E | 47.6 | Very low | 44.1 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -64.5 | -26 | 176.7 | -68.5 | -103 | 75.2 | 0 | 0 | 115.1 | C134 | C134-E136 PolarHBondContact O-N 3.38Å |
| 137 | C | 49.8 | Very low | 44 | Very low | 91 Ų | 91 | 139 Ų | 139 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -79 | -25.3 | 177 | -93.4 | 0 | 0 | 0 | 0 | 112.8 | C134 E135 H141 | C134-C137 PolarHBondContact O-N 3.32Å; E135-C137 PolarHBondContact O-N 3Å; C137-H141 PolarHBondContact O-N 2.95Å |
| 138 | K | 45.7 | Very low | 43.9 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -69.5 | -36.4 | -179.2 | -167.7 | 175.6 | -175.7 | -179.6 | 0 | 111.7 | E135 G142 | E135-K138 PolarHBondContact O-N 3.29Å; K138-G142 PolarHBondContact O-N 3.43Å |
| 139 | I | 50 | Low | 43.9 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 57% | 0.574 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -72.2 | -36.9 | -178.9 | -55.9 | -177.7 | 0 | 0 | 0 | 111.2 | ||
| 140 | K | 46.8 | Very low | 44.1 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -71.7 | -36.5 | 179 | -76.4 | -179.9 | 179.2 | -94.6 | 0 | 113.5 | S144 | K140-S144 PolarHBondContact O-N 3.34Å |
| 141 | H | 47.2 | Very low | 44 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 65% | 0.653 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -75.8 | -34.7 | 179.9 | -131.4 | -88.3 | 0 | 0 | 0 | 112.6 | C137 L143 S144 E145 | C137-H141 PolarHBondContact O-N 2.95Å; H141-L143 VanDerWaalsContact C-N 3.28Å; H141-L143 PolarHBondContact O-N 3.35Å; H141-S144 PolarHBondContact O-N 3.29Å; H141-E145 PolarHBondContact O-N 3.25Å |
| 142 | G | 41.3 | Very low | 43.5 | Very low | 54 Ų | 54 | 130.6 Ų | 130.6 | 56% | 0.557 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -67.3 | -23.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K138 | K138-G142 PolarHBondContact O-N 3.43Å |
| 143 | L | 43 | Very low | 43 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -85.1 | -29.7 | 172.9 | -118.8 | 96.3 | 0 | 0 | 0 | 112.9 | H141 | H141-L143 VanDerWaalsContact C-N 3.28Å; H141-L143 PolarHBondContact O-N 3.35Å |
| 144 | S | 45.1 | Very low | 42.5 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 57% | 0.573 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -74.5 | -30.1 | -177.2 | -162.5 | 0 | 0 | 0 | 0 | 112.7 | K140 H141 K146 G147 | K140-S144 PolarHBondContact O-N 3.34Å; H141-S144 PolarHBondContact O-N 3.29Å; S144-K146 VanDerWaalsContact C-N 3.27Å; S144-K146 PolarHBondContact O-N 3.4Å; S144-G147 PolarHBondContact O-N 3.41Å |
| 145 | E | 44.5 | Very low | 42.7 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -19 | 179.4 | -142.3 | -175.4 | 112 | 0 | 0 | 112.9 | H141 | H141-E145 PolarHBondContact O-N 3.25Š|
| 146 | K | 38.1 | Very low | 42.5 | Very low | 194 Ų | 194 | 131.5 Ų | 131.5 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -4.9 | 178 | -149.6 | 169.6 | -175.6 | 180 | 0 | 113.5 | S144 | S144-K146 VanDerWaalsContact C-N 3.27Å; S144-K146 PolarHBondContact O-N 3.4Å |
| 147 | G | 39.2 | Very low | 42.2 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -102 | -13.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | S144 | S144-G147 PolarHBondContact O-N 3.41Š|
| 148 | D | 42.8 | Very low | 41.8 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -98 | 0.6 | -171.8 | -149 | -113.4 | 0 | 0 | 0 | 114.5 | ||
| 149 | S | 43.9 | Very low | 41.5 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -104.8 | 65.8 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 150 | Q | 36.8 | Very low | 40.9 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -127.9 | 134.2 | 152.5 | -107.8 | -143.4 | -93.6 | 0 | 0 | 111.5 | ||||
| 151 | P | 39.3 | Very low | 40.5 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 129.6 | -167.3 | 31.7 | -33.2 | 0 | 0 | 0 | 110.6 | ||
| 152 | S | 34.6 | Very low | 40 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 117.1 | 162.8 | -69.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 153 | A | 35.6 | Very low | 39.9 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 154 | S | 36.2 | Very low | 39.6 | Very low | 199 Ų | 199 | 134 Ų | 134 | 100% | 1.392 | 82% | 0.823 | S | S | * | * | trans | -160.4 | 0 | 141.3 | -74.9 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 154 of 154 residues in 72.6 ms
(Link to these results)