| 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 | 36.1 | Very low | 37.7 | Very low | 215 Ų | 215 | 135 Ų | 135 | 100% | 1.059 | 82% | 0.823 | S | S | * | * | 0 | 60.9 | 0 | -58.8 | 169.7 | -170.9 | 0 | 0 | 105.8 | |||||
| 2 | E | 35.6 | Very low | 37.3 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 83% | 0.827 | S | S | * | * | 67 | 133.8 | 51.9 | -64.9 | 149.7 | 141.5 | 0 | 0 | 111.4 | |||||
| 3 | D | 37.1 | Very low | 36.7 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 75% | 0.754 | 82% | 0.822 | S | S | * | * | cis | -166.9 | -171.1 | -19.8 | -129.1 | -62.7 | 0 | 0 | 0 | 110.1 | ||||
| 4 | S | 42 | Very low | 36.3 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 87.6 | 117.8 | 176.1 | -33.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 5 | D | 36.4 | Very low | 35.9 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | cis | 97.7 | 118.8 | 29.3 | -169.1 | 31.8 | 0 | 0 | 0 | 114.5 | ||||
| 6 | S | 39 | Very low | 35.5 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -176.9 | 134.1 | 155 | -172 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | A | 40.1 | Very low | 35 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -115.4 | 154.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 8 | P | 42.3 | Very low | 34.9 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -105.8 | 159.7 | 156.8 | 34.6 | -25.6 | 0 | 0 | 0 | 112.5 | ||||
| 9 | P | 41.3 | Very low | 34.6 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -93.8 | 166.8 | -153.2 | 36.1 | -38.5 | 0 | 0 | 0 | 116.6 | ||||
| 10 | S | 31.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -85.3 | 141.4 | 172 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 11 | S | 33.3 | Very low | 34.4 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -133 | 121 | 168.2 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 12 | S | 33.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 120 Ų | 120 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -94.5 | 134.2 | -173 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 13 | A | 29.9 | Very low | 34.2 | Very low | 92 Ų | 92 | 115.3 Ų | 115.3 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -160.5 | 148.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 14 | S | 30 | Very low | 33.8 | Very low | 112 Ų | 112 | 112.6 Ų | 112.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 52.7 | 98.1 | 153 | 51.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 15 | T | 31.1 | Very low | 33.6 | Very low | 143 Ų | 143 | 112.5 Ų | 112.5 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -46.8 | 134.8 | 152 | -14.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 16 | A | 29 | Very low | 33.5 | Very low | 89 Ų | 89 | 111.5 Ų | 111.5 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -138.7 | 99.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S18 | A16-S18 PolarHBondContact O-N 3.48Š| ||
| 17 | T | 28.2 | Very low | 33.7 | Very low | 127 Ų | 127 | 109.2 Ų | 109.2 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -57.7 | 118.4 | -177.2 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | A19 | T17-A19 PolarHBondContact O-N 3.48Š| ||
| 18 | S | 32.3 | Very low | 34.1 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -73.8 | 64.4 | 176.1 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | A16 S20 | A16-S18 PolarHBondContact O-N 3.48Å; S18-S20 PolarHBondContact O-N 3.4Å | ||
| 19 | A | 29 | Very low | 34.8 | Very low | 81 Ų | 81 | 117.2 Ų | 117.2 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -66.3 | 99.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T17 T21 | T17-A19 PolarHBondContact O-N 3.48Å; A19-T21 PolarHBondContact O-N 3.27Å | ||
| 20 | S | 33.9 | Very low | 36.1 | Very low | 114 Ų | 114 | 119.1 Ų | 119.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -66.4 | 96.4 | -179.5 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | S18 | S18-S20 PolarHBondContact O-N 3.4Š| ||
| 21 | T | 31.6 | Very low | 38.5 | Very low | 127 Ų | 127 | 114.1 Ų | 114.1 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -52 | 124.3 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | A19 G23 | A19-T21 PolarHBondContact O-N 3.27Å; T21-G23 PolarHBondContact O-N 2.92Å | ||
| 22 | P | 37.3 | Very low | 41.1 | Very low | 119 Ų | 119 | 112.1 Ų | 112.1 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -66.3 | 110.8 | 179.6 | 26.1 | -33.3 | 0 | 0 | 0 | 109.7 | ||||
| 23 | G | 30.8 | Very low | 43.9 | Very low | 69 Ų | 69 | 112.8 Ų | 112.8 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -55.7 | 137.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T21 | T21-G23 PolarHBondContact O-N 2.92Š| ||
| 24 | A | 27.4 | Very low | 46.8 | Very low | 84 Ų | 84 | 114 Ų | 114 | 69% | 0.694 | 69% | 0.691 | S | S | * | * | trans | -54.1 | 142.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T26 | A24-T26 PolarHBondContact O-N 3.44Š| ||
| 25 | P | 38.9 | Very low | 49.8 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | trans | -72 | 91.2 | -165.1 | 28.3 | -36.1 | 0 | 0 | 0 | 112.7 | A27 | P25-A27 PolarHBondContact O-N 3.44Š| ||
| 26 | T | 34.7 | Very low | 52.8 | Low | 133 Ų | 133 | 105.8 Ų | 105.8 | 82% | 0.816 | 63% | 0.63 | S | S | * | * | trans | -49.5 | 130.1 | 169.7 | -39.7 | 0 | 0 | 0 | 0 | 109.5 | A24 R28 | A24-T26 PolarHBondContact O-N 3.44Å; T26-R28 PolarHBondContact O-N 3.26Å; T26-R28 VanDerWaalsContact O-N 3.07Å | ||
| 27 | A | 42.1 | Very low | 55.9 | Low | 70 Ų | 70 | 107.4 Ų | 107.4 | 58% | 0.579 | 62% | 0.617 | S | S | * | * | trans | -53.4 | 115.9 | -161 | 0 | 0 | 0 | 0 | 0 | 113 | P25 K29 | P25-A27 PolarHBondContact O-N 3.44Å; A27-K29 HydrophobicContact CB-CG 4.27Å; A27-K29 PolarHBondContact O-N 3.07Å | ||
| 28 | R | 48.1 | Very low | 59 | Low | 219 Ų | 219 | 107 Ų | 107 | 83% | 0.826 | 61% | 0.605 | S | S | * | * | trans | -69 | 60 | -176.3 | -63.9 | -177.3 | 178.3 | 176.8 | -1.2 | 113.3 | T26 | T26-R28 PolarHBondContact O-N 3.26Å; T26-R28 VanDerWaalsContact O-N 3.07Å | ||
| 29 | K | 58.4 | Low | 62 | Low | 155 Ų | 155 | 101.5 Ų | 101.5 | 67% | 0.674 | 57% | 0.566 | S | S | * | * | trans | -84.9 | -10.9 | -179.9 | -67.5 | -176.9 | 178.2 | -179.2 | 0 | 113.3 | A27 W245 | A27-K29 HydrophobicContact CB-CG 4.27Å; A27-K29 PolarHBondContact O-N 3.07Å; K29-W245 PolarHBondContact O-NE1 3.29Å | ||
| 30 | Q | 67 | Low | 65 | Low | 170 Ų | 170 | 97.7 Ų | 97.7 | 79% | 0.794 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -111.9 | 144.6 | -175.7 | -166 | 161 | -10 | 0 | 0 | 110.8 | D32 | Q30-D32 PolarHBondContact O-N 3.02Š|
| 31 | L | 81.8 | Confident | 67.9 | Low | 17 Ų | 17 | 94.7 Ų | 94.7 | 9% | 0.089 | 51% | 0.509 | C | S | . | . | trans | -70.1 | 125.9 | 176.6 | 178.3 | 65.4 | 0 | 0 | 0 | 109.9 | K33 V36 I230 T234 I263 F264 | L31-K33 PolarHBondContact O-N 2.98Å; L31-V36 HydrophobicContact CD1-CG2 3.9Å; L31-V36 HydrophobicContact CD2-CG2 3.81Å; L31-V36 HydrophobicContact CG-CG2 3.83Å; L31-I230 HydrophobicContact CD2-CG2 3.74Å; L31-T234 HydrophobicContact CB-CG2 4.2Å; L31-T234 HydrophobicContact CD2-CG2 4.08Å; L31-I263 HydrophobicContact CD1-CB 4.39Å; L31-I263 HydrophobicContact CD1-CD1 4.1Å; L31-I263 HydrophobicContact CD1-CG1 4.28Å; L31-I263 HydrophobicContact CD2-CD1 4.27Å; L31-F264 HydrophobicContact CD1-CB 3.89Å | ||
| 32 | D | 88.8 | Confident | 70.8 | Confident | 80 Ų | 80 | 91 Ų | 91 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | trans | -69.5 | 125 | 173.6 | 172.2 | 29.5 | 0 | 0 | 0 | 110.8 | Q30 E34 Q35 V36 | Q30-D32 PolarHBondContact O-N 3.02Å; D32-E34 PolarHBondContact OD1-N 3.28Å; D32-Q35 HydrophobicContact CB-CB 4.27Å; D32-Q35 WeakPolarHBondContact OD2-CB 3.29Å; D32-Q35 PolarHBondContact OD2-N 3.49Å; D32-V36 VanDerWaalsContact O-CG2 3.24Å; D32-V36 WeakPolarHBondContact O-CG2 3.42Å; D32-V36 PolarHBondContact O-N 3.04Å | ||
| 33 | K | 91.1 | Very high | 73.4 | Confident | 140 Ų | 140 | 85.6 Ų | 85.6 | 61% | 0.609 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70.8 | -32.7 | 177.3 | -66.4 | -177 | 179.4 | -178 | 0 | 112.1 | L31 V36 R37 | L31-K33 PolarHBondContact O-N 2.98Å; K33-V36 PolarHBondContact O-N 2.96Å; K33-R37 PolarHBondContact O-N 2.88Å |
| 34 | E | 91.8 | Very high | 76.2 | Confident | 118 Ų | 118 | 83.2 Ų | 83.2 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69.6 | -48 | -177.7 | -71.1 | -169.1 | -153.4 | 0 | 0 | 111.7 | D32 V36 R37 K38 | D32-E34 PolarHBondContact OD1-N 3.28Å; E34-V36 PolarHBondContact O-N 2.92Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 PolarHBondContact O-N 3.49Å; E34-R37 VanDerWaalsContact O-N 3.11Å; E34-K38 HydrophobicContact CB-CD 4.49Å; E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 WeakPolarHBondContact O-CD 3.37Å; E34-K38 VanDerWaalsContact O-CG 3.29Å; E34-K38 WeakPolarHBondContact O-CG 3.26Å; E34-K38 PolarHBondContact O-N 2.83Å; E34-K38 IonicContact OE2-NZ 2.71Å; E34-K38 PolarHBondContact OE2-NZ 3.41Å |
| 35 | Q | 92.3 | Very high | 79.1 | Confident | 80 Ų | 80 | 83.5 Ų | 83.5 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.3 | -35.3 | 174.5 | -177.9 | 62.4 | 15.4 | 0 | 0 | 111.8 | D32 A39 P262 | D32-Q35 HydrophobicContact CB-CB 4.27Å; D32-Q35 WeakPolarHBondContact OD2-CB 3.29Å; D32-Q35 PolarHBondContact OD2-N 3.49Å; Q35-A39 VanDerWaalsContact O-CB 3.3Å; Q35-A39 WeakPolarHBondContact O-CB 3.49Å; Q35-A39 PolarHBondContact O-N 3.25Å; Q35-P262 PolarHBondContact NE2-O 3.26Å; Q35-P262 VanDerWaalsContact NE2-O 3.1Å |
| 36 | V | 93.6 | Very high | 81.5 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.006 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.9 | -48 | 172.2 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | L31 D32 K33 E34 A39 V40 I227 I230 I263 | L31-V36 HydrophobicContact CD1-CG2 3.9Å; L31-V36 HydrophobicContact CD2-CG2 3.81Å; L31-V36 HydrophobicContact CG-CG2 3.83Å; D32-V36 VanDerWaalsContact O-CG2 3.24Å; D32-V36 WeakPolarHBondContact O-CG2 3.42Å; D32-V36 PolarHBondContact O-N 3.04Å; K33-V36 PolarHBondContact O-N 2.96Å; E34-V36 PolarHBondContact O-N 2.92Å; V36-A39 PolarHBondContact O-N 2.85Å; V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 WeakPolarHBondContact O-CG2 3.31Å; V36-V40 PolarHBondContact O-N 3.28Å; V36-I227 HydrophobicContact CG1-CG1 4.04Å; V36-I227 HydrophobicContact CG1-CG2 4.45Å; V36-I230 HydrophobicContact CG1-CB 4.29Å; V36-I230 HydrophobicContact CG1-CD1 3.53Å; V36-I230 HydrophobicContact CG1-CG1 4.49Å; V36-I230 HydrophobicContact CG1-CG2 3.98Å; V36-I230 HydrophobicContact CG2-CG2 4.25Å; V36-I263 HydrophobicContact CG2-CB 3.94Å; V36-I263 HydrophobicContact CG2-CD1 3.89Å; V36-I263 HydrophobicContact CG2-CG1 4.49Å; V36-I263 HydrophobicContact CG2-CG2 4.14Å |
| 37 | R | 94.7 | Very high | 83.9 | Confident | 124 Ų | 124 | 75.9 Ų | 75.9 | 47% | 0.468 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.4 | -54.7 | 177.5 | -175 | 173 | -155.1 | -173.5 | 14.1 | 111.2 | K33 E34 A39 V40 D41 I223 E224 I227 | K33-R37 PolarHBondContact O-N 2.88Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 PolarHBondContact O-N 3.49Å; E34-R37 VanDerWaalsContact O-N 3.11Å; R37-A39 PolarHBondContact O-N 3.44Å; R37-V40 PolarHBondContact O-N 3.25Å; R37-D41 VanDerWaalsContact CG-OD2 3.29Å; R37-D41 WeakPolarHBondContact CG-OD2 3.28Å; R37-D41 PolarHBondContact O-N 3.37Å; R37-I223 HydrophobicContact CG-CG2 4.35Å; R37-E224 IonicContact CZ-OE1 2.57Å; R37-E224 IonicContact NE-OE1 3.73Å; R37-E224 IonicContact NH2-OE1 2.77Å; R37-E224 PolarHBondContact NH2-OE1 3.37Å; R37-I227 HydrophobicContact CB-CD1 3.76Å; R37-I227 HydrophobicContact CG-CD1 3.94Å |
| 38 | K | 94.3 | Very high | 85.9 | Confident | 119 Ų | 119 | 78.2 Ų | 78.2 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -52.4 | -40.1 | 177 | -70.1 | 159.1 | 179 | 160.6 | 0 | 112 | E34 A42 | E34-K38 HydrophobicContact CB-CD 4.49Å; E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 WeakPolarHBondContact O-CD 3.37Å; E34-K38 VanDerWaalsContact O-CG 3.29Å; E34-K38 WeakPolarHBondContact O-CG 3.26Å; E34-K38 PolarHBondContact O-N 2.83Å; E34-K38 IonicContact OE2-NZ 2.71Å; E34-K38 PolarHBondContact OE2-NZ 3.41Å; K38-A42 WeakPolarHBondContact O-CB 3.47Å; K38-A42 PolarHBondContact O-N 3.11Å |
| 39 | A | 93.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.7 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q35 V36 R37 L43 L261 I263 | Q35-A39 VanDerWaalsContact O-CB 3.3Å; Q35-A39 WeakPolarHBondContact O-CB 3.49Å; Q35-A39 PolarHBondContact O-N 3.25Å; V36-A39 PolarHBondContact O-N 2.85Å; R37-A39 PolarHBondContact O-N 3.44Å; A39-L43 WeakPolarHBondContact O-CB 3.47Å; A39-L43 WeakPolarHBondContact O-CG 3.3Å; A39-L43 PolarHBondContact O-N 3.4Å; A39-L43 VanDerWaalsContact O-N 3.12Å; A39-L261 HydrophobicContact CB-CB 4.11Å; A39-L261 HydrophobicContact CB-CD1 4.22Å; A39-I263 HydrophobicContact CB-CG2 3.66Å |
| 40 | V | 93.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 177.1 | 173 | 0 | 0 | 0 | 0 | 110.8 | V36 R37 L43 L44 I223 I226 I230 | V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 WeakPolarHBondContact O-CG2 3.31Å; V36-V40 PolarHBondContact O-N 3.28Å; R37-V40 PolarHBondContact O-N 3.25Å; V40-L43 PolarHBondContact O-N 3.13Å; V40-L44 WeakPolarHBondContact O-CB 3.39Å; V40-L44 PolarHBondContact O-N 3.09Å; V40-I223 HydrophobicContact CG1-CB 4.5Å; V40-I223 HydrophobicContact CG1-CG1 4.37Å; V40-I223 HydrophobicContact CG1-CG2 4.03Å; V40-I226 HydrophobicContact CG1-CB 4.4Å; V40-I226 HydrophobicContact CG1-CD1 4.17Å; V40-I226 HydrophobicContact CG1-CG2 4.09Å; V40-I226 HydrophobicContact CG2-CG2 3.9Å; V40-I230 HydrophobicContact CG2-CD1 3.98Å |
| 41 | D | 93.6 | Very high | 88.7 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 178 | -68.6 | -30.7 | 0 | 0 | 0 | 112.1 | R37 L44 T45 I223 | R37-D41 VanDerWaalsContact CG-OD2 3.29Å; R37-D41 WeakPolarHBondContact CG-OD2 3.28Å; R37-D41 PolarHBondContact O-N 3.37Å; D41-L44 PolarHBondContact O-N 3.23Å; D41-T45 VanDerWaalsContact O-CB 3.28Å; D41-T45 WeakPolarHBondContact O-CB 3.5Å; D41-T45 PolarHBondContact O-N 2.87Å; D41-T45 PolarHBondContact O-OG1 2.99Å; D41-I223 VanDerWaalsContact OD1-CD1 3.24Å; D41-I223 WeakPolarHBondContact OD1-CD1 3.29Å; D41-I223 WeakPolarHBondContact OD1-CG2 3.41Å |
| 42 | A | 93.4 | Very high | 87.9 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K38 H46 L261 | K38-A42 WeakPolarHBondContact O-CB 3.47Å; K38-A42 PolarHBondContact O-N 3.11Å; A42-H46 WeakPolarHBondContact O-CB 3.47Å; A42-H46 PolarHBondContact O-N 3.24Å; A42-L261 HydrophobicContact CB-CD1 3.89Å |
| 43 | L | 91 | Very high | 86.7 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 176.2 | -75.5 | 169.7 | 0 | 0 | 0 | 112.2 | A39 V40 T45 H46 C47 V253 S258 L261 | A39-L43 WeakPolarHBondContact O-CB 3.47Å; A39-L43 WeakPolarHBondContact O-CG 3.3Å; A39-L43 PolarHBondContact O-N 3.4Å; A39-L43 VanDerWaalsContact O-N 3.12Å; V40-L43 PolarHBondContact O-N 3.13Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.18Å; L43-H46 PolarHBondContact O-N 2.91Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 3.15Å; L43-V253 HydrophobicContact CD1-CB 3.88Å; L43-V253 HydrophobicContact CD1-CG1 3.57Å; L43-S258 WeakPolarHBondContact CD2-OG 3.23Å; L43-L261 HydrophobicContact CD1-CD1 4.43Å; L43-L261 HydrophobicContact CD2-CD1 4.28Å; L43-L261 HydrophobicContact CD2-CG 4.24Å; L43-L261 HydrophobicContact CG-CD1 3.84Å; L43-L261 HydrophobicContact CG-CG 4.2Å |
| 44 | L | 89.3 | Confident | 85.2 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 179.2 | -177.2 | 59.7 | 0 | 0 | 0 | 111.3 | V40 D41 C47 K48 I219 I223 | V40-L44 WeakPolarHBondContact O-CB 3.39Å; V40-L44 PolarHBondContact O-N 3.09Å; D41-L44 PolarHBondContact O-N 3.23Å; L44-C47 PolarHBondContact O-N 3.31Å; L44-K48 HydrophobicContact CG-CD 4.3Å; L44-K48 WeakPolarHBondContact O-CB 3.41Å; L44-K48 VanDerWaalsContact O-CG 3.28Å; L44-K48 WeakPolarHBondContact O-CG 3.47Å; L44-K48 PolarHBondContact O-N 3.31Å; L44-I219 HydrophobicContact CD1-CB 4.49Å; L44-I219 HydrophobicContact CD1-CG1 4.11Å; L44-I219 HydrophobicContact CD1-CG2 4.2Å; L44-I223 HydrophobicContact CD2-CD1 4.06Å; L44-I223 HydrophobicContact CD2-CG1 3.9Å |
| 45 | T | 90.1 | Very high | 83.4 | Confident | 90 Ų | 90 | 70.8 Ų | 70.8 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.8 | -46.4 | 175.5 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | D41 L43 C47 K48 S49 | D41-T45 VanDerWaalsContact O-CB 3.28Å; D41-T45 WeakPolarHBondContact O-CB 3.5Å; D41-T45 PolarHBondContact O-N 2.87Å; D41-T45 PolarHBondContact O-OG1 2.99Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.18Å; T45-C47 PolarHBondContact O-N 2.92Å; T45-K48 PolarHBondContact O-N 2.54Å; T45-S49 WeakPolarHBondContact O-CB 3.05Å; T45-S49 PolarHBondContact O-N 3.37Å |
| 46 | H | 88.1 | Confident | 81.7 | Confident | 78 Ų | 78 | 74 Ų | 74 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 174.8 | 164.9 | -91.3 | 0 | 0 | 0 | 112.4 | A42 L43 S49 R50 | A42-H46 WeakPolarHBondContact O-CB 3.47Å; A42-H46 PolarHBondContact O-N 3.24Å; L43-H46 PolarHBondContact O-N 2.91Å; H46-S49 PolarHBondContact O-N 3.08Å; H46-R50 VanDerWaalsContact CE1-CZ 3.48Å; H46-R50 PolarHBondContact CE1-NH2 2.8Å; H46-R50 PolarHBondContact NE2-NH2 2.96Å; H46-R50 WeakPolarHBondContact O-CB 3.31Å; H46-R50 PolarHBondContact O-N 3.4Å |
| 47 | C | 85.1 | Confident | 79.7 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 176.9 | -76.3 | 0 | 0 | 0 | 0 | 112.7 | L43 L44 T45 R50 K51 E62 I219 | L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 3.15Å; L44-C47 PolarHBondContact O-N 3.31Å; T45-C47 PolarHBondContact O-N 2.92Å; C47-R50 PolarHBondContact O-N 2.92Å; C47-K51 WeakPolarHBondContact O-CG 3.19Å; C47-K51 PolarHBondContact O-N 3.01Å; C47-K51 VanDerWaalsContact O-N 3.09Å; C47-E62 PolarHBondContact SG-OE2 2.74Å; C47-I219 HydrophobicContact CB-CG1 4.03Å |
| 48 | K | 83.8 | Confident | 77.7 | Confident | 119 Ų | 119 | 82.6 Ų | 82.6 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -51.5 | 171.4 | -76 | 170.2 | 177.8 | 176.4 | 0 | 111.1 | L44 T45 R50 K51 N52 | L44-K48 HydrophobicContact CG-CD 4.3Å; L44-K48 WeakPolarHBondContact O-CB 3.41Å; L44-K48 VanDerWaalsContact O-CG 3.28Å; L44-K48 WeakPolarHBondContact O-CG 3.47Å; L44-K48 PolarHBondContact O-N 3.31Å; T45-K48 PolarHBondContact O-N 2.54Å; K48-R50 VanDerWaalsContact C-N 3.32Å; K48-R50 PolarHBondContact O-N 3.4Å; K48-K51 PolarHBondContact O-N 2.9Å; K48-N52 PolarHBondContact O-N 3.01Å; K48-N52 PolarHBondContact O-OD1 2.93Å |
| 49 | S | 82.9 | Confident | 75.7 | Confident | 71 Ų | 71 | 83.8 Ų | 83.8 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.9 | -44.1 | 177 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | T45 H46 K51 N52 N53 | T45-S49 WeakPolarHBondContact O-CB 3.05Å; T45-S49 PolarHBondContact O-N 3.37Å; H46-S49 PolarHBondContact O-N 3.08Å; S49-K51 PolarHBondContact O-N 3.43Å; S49-N52 PolarHBondContact O-N 3.1Å; S49-N53 PolarHBondContact O-ND2 3.45Å |
| 50 | R | 77.7 | Confident | 74.1 | Confident | 73 Ų | 73 | 91 Ų | 91 | 28% | 0.275 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177.3 | -176.9 | 179.2 | -72.1 | 165.7 | -12 | 113.5 | H46 C47 K48 N52 N53 Y54 K257 | H46-R50 VanDerWaalsContact CE1-CZ 3.48Å; H46-R50 PolarHBondContact CE1-NH2 2.8Å; H46-R50 PolarHBondContact NE2-NH2 2.96Å; H46-R50 WeakPolarHBondContact O-CB 3.31Å; H46-R50 PolarHBondContact O-N 3.4Å; C47-R50 PolarHBondContact O-N 2.92Å; K48-R50 VanDerWaalsContact C-N 3.32Å; K48-R50 PolarHBondContact O-N 3.4Å; R50-N52 PolarHBondContact O-N 3.45Å; R50-N53 PolarHBondContact O-N 3.3Å; R50-Y54 HydrophobicContact CG-CD2 4.16Å; R50-Y54 PolarHBondContact O-N 3.45Å; R50-K257 PolarHBondContact NH1-O 2.64Å; R50-K257 PolarHBondContact NH2-O 2.91Å |
| 51 | K | 72.4 | Confident | 73.1 | Confident | 86 Ų | 86 | 92.8 Ų | 92.8 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -30.9 | -179.9 | -80.8 | -174.4 | 170.7 | -159.1 | 0 | 112.8 | C47 K48 S49 N53 | C47-K51 WeakPolarHBondContact O-CG 3.19Å; C47-K51 PolarHBondContact O-N 3.01Å; C47-K51 VanDerWaalsContact O-N 3.09Å; K48-K51 PolarHBondContact O-N 2.9Å; S49-K51 PolarHBondContact O-N 3.43Å; K51-N53 VanDerWaalsContact C-N 3.31Å; K51-N53 PolarHBondContact O-N 3.03Å |
| 52 | N | 65.9 | Low | 72.6 | Confident | 145 Ų | 145 | 91.7 Ų | 91.7 | 78% | 0.775 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -72.8 | -23.8 | 177.1 | -61.8 | 0.1 | 0 | 0 | 0 | 113 | K48 S49 R50 | K48-N52 PolarHBondContact O-N 3.01Å; K48-N52 PolarHBondContact O-OD1 2.93Å; S49-N52 PolarHBondContact O-N 3.1Å; R50-N52 PolarHBondContact O-N 3.45Å |
| 53 | N | 63.7 | Low | 72.4 | Confident | 120 Ų | 120 | 91.4 Ų | 91.4 | 64% | 0.642 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -89.7 | -24.9 | -178.1 | -74.5 | -86.6 | 0 | 0 | 0 | 113.5 | S49 R50 K51 | S49-N53 PolarHBondContact O-ND2 3.45Å; R50-N53 PolarHBondContact O-N 3.3Å; K51-N53 VanDerWaalsContact C-N 3.31Å; K51-N53 PolarHBondContact O-N 3.03Å |
| 54 | Y | 59.1 | Low | 72.4 | Confident | 189 Ų | 189 | 91.3 Ų | 91.3 | 74% | 0.741 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 91.9 | 178 | -66.9 | -87.7 | 0 | 0 | 0 | 109 | R50 L56 | R50-Y54 HydrophobicContact CG-CD2 4.16Å; R50-Y54 PolarHBondContact O-N 3.45Å; Y54-L56 PolarHBondContact O-N 3.17Å; Y54-L56 VanDerWaalsContact O-N 3.08Å |
| 55 | G | 54.1 | Low | 72.6 | Confident | 60 Ų | 60 | 92 Ų | 92 | 62% | 0.619 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 107.9 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L57 | G55-L57 PolarHBondContact O-N 3.13Š|
| 56 | L | 56.7 | Low | 72.9 | Confident | 147 Ų | 147 | 87.7 Ų | 87.7 | 77% | 0.77 | 45% | 0.451 | S | S | * | . | trans | 49.8 | 12.1 | 142.7 | -86.3 | 165.1 | 0 | 0 | 0 | 121 | Y54 L58 | Y54-L56 PolarHBondContact O-N 3.17Å; Y54-L56 VanDerWaalsContact O-N 3.08Å; L56-L58 PolarHBondContact O-N 3.25Å | ||
| 57 | L | 51.1 | Low | 73.2 | Confident | 168 Ų | 168 | 85.5 Ų | 85.5 | 88% | 0.88 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -72.3 | 97.5 | 170.8 | -66 | -175.1 | 0 | 0 | 0 | 110.8 | G55 | G55-L57 PolarHBondContact O-N 3.13Š|
| 58 | L | 51.7 | Low | 73.5 | Confident | 137 Ų | 137 | 85.5 Ų | 85.5 | 72% | 0.717 | 44% | 0.441 | S | S | * | . | trans | 79.5 | 129.3 | 178.7 | -50.5 | 179.3 | 0 | 0 | 0 | 115.9 | L56 E60 | L56-L58 PolarHBondContact O-N 3.25Å; L58-E60 HydrophobicContact CB-CG 4.41Å; L58-E60 PolarHBondContact O-N 3.19Å | ||
| 59 | N | 52.5 | Low | 73.9 | Confident | 144 Ų | 144 | 80.9 Ų | 80.9 | 77% | 0.77 | 42% | 0.423 | S | S | * | . | trans | -77.1 | 27.9 | 175.5 | -84.2 | -33.8 | 0 | 0 | 0 | 113.3 | S61 | N59-S61 PolarHBondContact O-N 2.76Š| ||
| 60 | E | 61.3 | Low | 74.2 | Confident | 156 Ų | 156 | 77.9 Ų | 77.9 | 73% | 0.729 | 40% | 0.402 | S | S | * | . | trans | -63.2 | 108.1 | 168.7 | -69.7 | -171.8 | 172.2 | 0 | 0 | 109 | L58 E62 | L58-E60 HydrophobicContact CB-CG 4.41Å; L58-E60 PolarHBondContact O-N 3.19Å; E60-E62 PolarHBondContact O-N 3.15Å; E60-E62 VanDerWaalsContact O-N 3.13Å | ||
| 61 | S | 71 | Confident | 74.6 | Confident | 38 Ų | 38 | 77.9 Ų | 77.9 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | trans | -68.3 | 110.9 | 173.1 | 52 | 0 | 0 | 0 | 0 | 109.1 | N59 N63 H218 | N59-S61 PolarHBondContact O-N 2.76Å; S61-N63 PolarHBondContact O-N 2.98Å; S61-H218 WeakPolarHBondContact CB-ND1 3.5Å; S61-H218 WeakPolarHBondContact OG-CB 3.43Å; S61-H218 PolarHBondContact OG-ND1 3.5Å | ||
| 62 | E | 83.4 | Confident | 75.2 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 13% | 0.126 | 40% | 0.397 | C | S | . | . | trans | -45.8 | 136.4 | -179.2 | -69 | -160.8 | 155.4 | 0 | 0 | 111.3 | C47 E60 H218 I219 T255 K257 | C47-E62 PolarHBondContact SG-OE2 2.74Å; E60-E62 PolarHBondContact O-N 3.15Å; E60-E62 VanDerWaalsContact O-N 3.13Å; E62-H218 WeakPolarHBondContact O-CA 3.45Å; E62-I219 HydrophobicContact CB-CD1 4.3Å; E62-I219 HydrophobicContact CB-CG1 4.47Å; E62-I219 WeakPolarHBondContact O-CD1 3.37Å; E62-I219 PolarHBondContact O-N 3.37Å; E62-T255 PolarHBondContact OE2-OG1 2.76Å; E62-K257 WeakPolarHBondContact OE1-CD 3.22Å; E62-K257 IonicContact OE1-NZ 2.62Å; E62-K257 PolarHBondContact OE1-NZ 2.86Å | ||
| 63 | N | 89.1 | Confident | 76.1 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 136.5 | -175.9 | -69.3 | -65.6 | 0 | 0 | 0 | 110.6 | S61 F65 R215 T255 | S61-N63 PolarHBondContact O-N 2.98Å; N63-F65 HydrophobicContact CB-CD2 4.3Å; N63-F65 HydrophobicContact CB-CE2 3.42Å; N63-F65 VanDerWaalsContact CB-CE2 3.42Å; N63-F65 HydrophobicContact CB-CZ 3.65Å; N63-F65 WeakPolarHBondContact O-CD2 3.37Å; N63-F65 WeakPolarHBondContact O-CE2 3.41Å; N63-R215 HydrophobicContact CB-CG 4.43Å; N63-R215 VanDerWaalsContact OD1-CZ 3.26Å; N63-R215 PolarHBondContact OD1-NE 3.28Å; N63-R215 PolarHBondContact OD1-NH2 2.85Å; N63-T255 VanDerWaalsContact O-CA 3.28Å; N63-T255 WeakPolarHBondContact O-CA 3.35Å; N63-T255 WeakPolarHBondContact O-CB 3.39Å |
| 64 | L | 92.1 | Very high | 77 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.6 | 177.8 | -174.1 | 151.9 | 0 | 0 | 0 | 109.2 | R215 I216 G217 I219 I226 V253 | L64-R215 CarbonylContact O-C 3.48Å; L64-I216 HydrophobicContact CD2-CB 4.07Å; L64-I216 HydrophobicContact CD2-CD1 3.48Å; L64-I216 VanDerWaalsContact CD2-CD1 3.48Å; L64-I216 HydrophobicContact CD2-CG1 3.74Å; L64-I216 PolarHBondContact O-N 2.97Å; L64-G217 PolarHBondContact N-O 3Å; L64-I219 HydrophobicContact CB-CD1 4.29Å; L64-I219 HydrophobicContact CD1-CD1 4.49Å; L64-I226 HydrophobicContact CD1-CD1 4.4Å; L64-I226 HydrophobicContact CD1-CG2 4.19Å; L64-I226 HydrophobicContact CD2-CG2 4.03Å; L64-V253 HydrophobicContact CD1-CG1 4.19Å; L64-V253 HydrophobicContact CD2-CG1 3.6Å; L64-V253 HydrophobicContact CG-CG1 3.89Å |
| 65 | F | 93.9 | Very high | 78.1 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.8 | -171.9 | -62.4 | -92.9 | 0 | 0 | 0 | 113 | N63 I214 R215 V253 K254 D256 | N63-F65 HydrophobicContact CB-CD2 4.3Å; N63-F65 HydrophobicContact CB-CE2 3.42Å; N63-F65 VanDerWaalsContact CB-CE2 3.42Å; N63-F65 HydrophobicContact CB-CZ 3.65Å; N63-F65 WeakPolarHBondContact O-CD2 3.37Å; N63-F65 WeakPolarHBondContact O-CE2 3.41Å; F65-I214 CarbonylContact C-O 3.59Å; F65-I214 WeakPolarHBondContact CA-O 3.44Å; F65-R215 HydrophobicContact CD1-CB 4.14Å; F65-R215 HydrophobicContact CE1-CB 3.93Å; F65-R215 HydrophobicContact CE1-CG 4.29Å; F65-V253 WeakPolarHBondContact O-CA 3.27Å; F65-K254 HydrophobicContact CB-CG 4.29Å; F65-K254 PolarHBondContact N-O 3.13Å; F65-K254 PolarHBondContact O-N 3.02Å; F65-D256 VanDerWaalsContact CE2-OD1 3.31Å; F65-D256 WeakPolarHBondContact CE2-OD1 3.48Å; F65-D256 WeakPolarHBondContact CE2-OD2 3.45Å |
| 66 | L | 94.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.3 | 162.6 | -161.6 | 64.6 | 0 | 0 | 0 | 108.2 | V68 A213 I214 I216 V233 L251 V253 I263 | L66-V68 HydrophobicContact CD2-CG2 3.98Å; L66-V68 HydrophobicContact CG-CG2 4.16Å; L66-A213 CarbonylContact O-C 3.53Å; L66-A213 VanDerWaalsContact O-CA 3.28Å; L66-A213 WeakPolarHBondContact O-CA 3.48Å; L66-I214 HydrophobicContact CB-CB 4.43Å; L66-I214 HydrophobicContact CD2-CD1 4.49Å; L66-I214 PolarHBondContact N-O 3.38Å; L66-I214 PolarHBondContact O-N 2.68Å; L66-I216 HydrophobicContact CB-CD1 3.53Å; L66-I216 HydrophobicContact CB-CG1 3.84Å; L66-I216 HydrophobicContact CD1-CD1 4.11Å; L66-I216 HydrophobicContact CG-CD1 4.36Å; L66-V233 HydrophobicContact CD2-CG1 3.57Å; L66-L251 HydrophobicContact CD1-CB 4.37Å; L66-L251 HydrophobicContact CD2-CD2 4.33Å; L66-V253 HydrophobicContact CD1-CG2 4.15Å; L66-I263 HydrophobicContact CD1-CD1 3.83Å |
| 67 | M | 94.4 | Very high | 80.9 | Confident | 31 Ų | 31 | 67.9 Ų | 67.9 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 104.1 | 169.5 | -167.4 | 172.4 | 75.3 | 0 | 0 | 108.7 | C211 S212 F252 K254 A260 | M67-C211 WeakPolarHBondContact CG-SG 3.16Å; M67-C211 VanDerWaalsContact SD-SG 3.63Å; M67-S212 CarbonylContact C-O 3.54Å; M67-S212 WeakPolarHBondContact CA-O 3.35Å; M67-F252 HydrophobicContact CB-CB 4.29Å; M67-F252 HydrophobicContact CE-CB 4.17Å; M67-F252 HydrophobicContact CE-CD2 3.52Å; M67-F252 HydrophobicContact CE-CE2 4.02Å; M67-F252 HydrophobicContact CE-CG 3.93Å; M67-F252 PolarHBondContact N-O 3.27Å; M67-F252 PolarHBondContact O-N 3.42Å; M67-K254 HydrophobicContact SD-CD 4.29Å; M67-K254 PolarHBondContact SD-NZ 2.77Å; M67-A260 HydrophobicContact CE-CB 4.24Å |
| 68 | V | 92.6 | Very high | 82.5 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.6 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | L66 L70 C211 S212 I214 L237 L251 | L66-V68 HydrophobicContact CD2-CG2 3.98Å; L66-V68 HydrophobicContact CG-CG2 4.16Å; V68-L70 HydrophobicContact CG1-CD2 3.56Å; V68-L70 HydrophobicContact CG1-CG 4.28Å; V68-C211 CarbonylContact O-C 3.57Å; V68-C211 WeakPolarHBondContact O-CA 3.38Å; V68-S212 PolarHBondContact N-O 3.15Å; V68-S212 PolarHBondContact O-N 3.2Å; V68-I214 HydrophobicContact CG2-CD1 3.87Å; V68-I214 HydrophobicContact CG2-CG1 4.46Å; V68-L237 HydrophobicContact CG1-CD1 4.41Å; V68-L237 HydrophobicContact CG1-CD2 3.94Å; V68-L237 HydrophobicContact CG2-CD2 4.18Å; V68-L251 HydrophobicContact CB-CD2 4.09Å; V68-L251 HydrophobicContact CG1-CD2 3.93Å; V68-L251 HydrophobicContact CG2-CD2 3.82Å |
| 69 | V | 91.9 | Very high | 84.2 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.4 | 170.2 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | S210 C211 K249 L250 F252 | V69-S210 WeakPolarHBondContact CA-O 3.49Å; V69-C211 HydrophobicContact CG2-CB 4.48Å; V69-K249 HydrophobicContact CG1-CB 4.46Å; V69-K249 WeakPolarHBondContact O-CA 3.5Å; V69-K249 WeakPolarHBondContact O-CB 3.28Å; V69-K249 PolarHBondContact O-N 3.1Å; V69-L250 HydrophobicContact CB-CB 4.13Å; V69-L250 HydrophobicContact CG2-CB 4.36Å; V69-L250 PolarHBondContact N-O 3.38Å; V69-L250 PolarHBondContact O-N 3.1Å; V69-F252 HydrophobicContact CG2-CD2 4.33Å; V69-F252 HydrophobicContact CG2-CE2 3.98Å |
| 70 | L | 89.7 | Confident | 85.9 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 145 | -178.2 | -56.6 | -176.8 | 0 | 0 | 0 | 112.6 | V68 I205 S210 L241 S247 V248 | V68-L70 HydrophobicContact CG1-CD2 3.56Å; V68-L70 HydrophobicContact CG1-CG 4.28Å; L70-I205 HydrophobicContact CD1-CD1 4.15Å; L70-I205 HydrophobicContact CD1-CG2 3.85Å; L70-S210 PolarHBondContact N-O 3.29Å; L70-S210 WeakPolarHBondContact O-CB 3.49Å; L70-L241 HydrophobicContact CD1-CD2 3.96Å; L70-L241 HydrophobicContact CD2-CD2 3.47Å; L70-L241 VanDerWaalsContact CD2-CD2 3.47Å; L70-L241 HydrophobicContact CG-CD2 4.38Å; L70-S247 CarbonylContact C-O 3.52Å; L70-S247 VanDerWaalsContact CA-O 3.23Å; L70-S247 WeakPolarHBondContact CA-O 3.43Å; L70-S247 WeakPolarHBondContact CD2-O 3.43Å; L70-V248 HydrophobicContact CD2-CG2 4.24Å |
| 71 | W | 86.3 | Confident | 87.2 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -67.4 | -35.8 | 172.1 | -89.4 | 124.3 | 0 | 0 | 0 | 113 | S247 K249 S266 V268 W271 | W71-S247 PolarHBondContact N-O 2.98Å; W71-K249 HydrophobicContact CD2-CB 3.84Å; W71-K249 HydrophobicContact CD2-CD 3.83Å; W71-K249 HydrophobicContact CD2-CG 3.9Å; W71-K249 HydrophobicContact CE3-CD 3.74Å; W71-K249 HydrophobicContact CE3-CG 4.34Å; W71-K249 HydrophobicContact CG-CB 3.82Å; W71-K249 HydrophobicContact CG-CG 4.41Å; W71-K249 HydrophobicContact CH2-CD 3.7Å; W71-K249 HydrophobicContact CH2-CG 4.17Å; W71-K249 HydrophobicContact CZ2-CB 4.38Å; W71-K249 HydrophobicContact CZ2-CD 3.72Å; W71-K249 HydrophobicContact CZ2-CG 3.63Å; W71-K249 HydrophobicContact CZ3-CD 3.72Å; W71-K249 HydrophobicContact CZ3-CG 4.49Å; W71-S266 PolarHBondContact NE1-OG 2.85Å; W71-V268 HydrophobicContact CH2-CG2 3.41Å; W71-V268 VanDerWaalsContact CH2-CG2 3.41Å; W71-V268 HydrophobicContact CZ2-CG2 3.21Å; W71-V268 HydrophobicContact CZ3-CG2 4.48Å; W71-W271 HydrophobicContact CB-CE3 4.22Å; W71-W271 HydrophobicContact CB-CH2 3.79Å; W71-W271 HydrophobicContact CB-CZ3 3.57Å; W71-W271 AromaticContact CD2-CE3 3.92Å; W71-W271 HydrophobicContact CD2-CE3 3.92Å; W71-W271 AromaticContact CD2-CZ3 3.83Å; W71-W271 HydrophobicContact CD2-CZ3 3.83Å; W71-W271 AromaticContact CE3-CE3 3.88Å; W71-W271 HydrophobicContact CE3-CE3 3.88Å; W71-W271 AromaticContact CE3-CZ3 3.61Å; W71-W271 HydrophobicContact CE3-CZ3 3.61Å; W71-W271 HydrophobicContact CG-CE3 4.08Å; W71-W271 AromaticContact CG-CZ3 3.85Å; W71-W271 HydrophobicContact CG-CZ3 3.85Å |
| 72 | K | 84 | Confident | 88.2 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 27% | 0.274 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -130.7 | 122.2 | -176.6 | -172.1 | -178.8 | -176.7 | 172.6 | 0 | 110.3 | E243 W271 | K72-E243 WeakPolarHBondContact CD-OE1 3.35Å; K72-E243 WeakPolarHBondContact CD-OE2 3.42Å; K72-E243 IonicContact NZ-OE1 2.62Å; K72-E243 PolarHBondContact NZ-OE1 2.95Å; K72-E243 IonicContact NZ-OE2 2.65Å; K72-W271 HydrophobicContact CB-CH2 4.26Å |
| 73 | I | 85.5 | Confident | 88.5 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 35% | 0.354 | 25% | 0.248 | S | C | . | . | trans | -72.2 | 129.6 | 175.2 | -54.6 | 175.4 | 0 | 0 | 0 | 108.4 | S206 K207 | I73-S206 WeakPolarHBondContact CG2-O 3.44Å; I73-K207 WeakPolarHBondContact CG2-O 3.48Å | ||
| 74 | P | 82.6 | Confident | 88.6 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | trans | -69.1 | 141.4 | 179.7 | 28.7 | -35.2 | 0 | 0 | 0 | 111.7 | K76 L78 I205 | P74-K76 PolarHBondContact O-N 3.37Å; P74-L78 HydrophobicContact CB-CD1 3.75Å; P74-L78 HydrophobicContact CB-CG 4.1Å; P74-L78 HydrophobicContact CG-CD1 4.06Å; P74-L78 HydrophobicContact CG-CG 4.21Å; P74-I205 HydrophobicContact CG-CB 4.26Å; P74-I205 HydrophobicContact CG-CG2 3.62Å | ||
| 75 | S | 81.8 | Confident | 88.5 | Confident | 110 Ų | 110 | 52.8 Ų | 52.8 | 77% | 0.769 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -65.1 | -7.8 | -178.9 | -49.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 76 | K | 84.1 | Confident | 88.3 | Confident | 163 Ų | 163 | 53.1 Ų | 53.1 | 71% | 0.709 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -135.9 | 149.9 | 175.7 | -65.6 | -177.2 | -179.4 | 178.8 | 0 | 107.5 | P74 L78 | P74-K76 PolarHBondContact O-N 3.37Å; K76-L78 PolarHBondContact O-N 3.35Å |
| 77 | E | 84.9 | Confident | 87.9 | Confident | 119 Ų | 119 | 55.8 Ų | 55.8 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | trans | -62.9 | 127.3 | 169.3 | -172.1 | -178.1 | 151.9 | 0 | 0 | 109.4 | I205 | E77-I205 WeakPolarHBondContact CA-O 3.47Å; E77-I205 WeakPolarHBondContact CG-O 3.21Å | ||
| 78 | L | 84.8 | Confident | 87.6 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 120.6 | -178.7 | -62.4 | -179.9 | 0 | 0 | 0 | 109.6 | P74 K76 I205 | P74-L78 HydrophobicContact CB-CD1 3.75Å; P74-L78 HydrophobicContact CB-CG 4.1Å; P74-L78 HydrophobicContact CG-CD1 4.06Å; P74-L78 HydrophobicContact CG-CG 4.21Å; K76-L78 PolarHBondContact O-N 3.35Å; L78-I205 HydrophobicContact CB-CB 4.25Å; L78-I205 HydrophobicContact CB-CD1 4.21Å; L78-I205 HydrophobicContact CB-CG1 4.43Å; L78-I205 HydrophobicContact CD1-CD1 4.42Å; L78-I205 PolarHBondContact N-O 2.63Å; L78-I205 PolarHBondContact O-N 2.91Å |
| 79 | R | 87.8 | Confident | 87.2 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 18% | 0.181 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 109 | 165.9 | 175.9 | 168.3 | -69.1 | -169.4 | -6.8 | 108.7 | P180 V202 L203 N204 | R79-P180 PolarHBondContact NH1-O 2.95Å; R79-V202 HydrophobicContact CG-CG1 3.5Å; R79-V202 VanDerWaalsContact CG-CG1 3.5Å; R79-L203 WeakPolarHBondContact CA-O 3.42Å; R79-N204 VanDerWaalsContact CZ-OD1 3.24Å; R79-N204 PolarHBondContact NE-OD1 2.82Å; R79-N204 PolarHBondContact NH2-OD1 3.43Å |
| 80 | V | 87.6 | Confident | 86.7 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.5 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | L82 V202 L203 K240 | V80-L82 HydrophobicContact CG1-CD2 3.63Å; V80-L82 HydrophobicContact CG1-CG 4Å; V80-V202 WeakPolarHBondContact O-CA 3.4Å; V80-L203 HydrophobicContact CB-CB 4.35Å; V80-L203 PolarHBondContact N-O 2.99Å; V80-L203 PolarHBondContact O-N 3.35Å; V80-K240 HydrophobicContact CG1-CB 3.55Å; V80-K240 HydrophobicContact CG1-CG 3.83Å; V80-K240 HydrophobicContact CG2-CB 4.2Å |
| 81 | R | 89.2 | Confident | 86.1 | Confident | 90 Ų | 90 | 65.9 Ų | 65.9 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 140.2 | 161.9 | -54.9 | -159.5 | -144.9 | 125 | -4.3 | 108.5 | S182 E193 C197 T201 V202 | R81-S182 PolarHBondContact NE-O 3.48Å; R81-S182 PolarHBondContact NH2-O 3.09Å; R81-E193 IonicContact CZ-OE1 2.87Å; R81-E193 IonicContact CZ-OE2 3.68Å; R81-E193 VanDerWaalsContact NH1-CD 3.34Å; R81-E193 IonicContact NH1-OE1 3.17Å; R81-E193 PolarHBondContact NH1-OE1 2.81Å; R81-E193 VanDerWaalsContact NH1-OE1 3.15Å; R81-E193 IonicContact NH1-OE2 2.84Å; R81-E193 PolarHBondContact NH1-OE2 3.1Å; R81-E193 IonicContact NH2-OE1 2.7Å; R81-E193 PolarHBondContact NH2-OE1 3.13Å; R81-E193 IonicContact NH2-OE2 3.98Å; R81-C197 VanDerWaalsContact CD-SG 3.52Å; R81-C197 VanDerWaalsContact CZ-SG 3.57Å; R81-T201 WeakPolarHBondContact CA-O 3.5Å; R81-V202 HydrophobicContact CG-CG2 4.37Å |
| 82 | L | 91.1 | Very high | 85.8 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 117.8 | 175.8 | -59.7 | 172.7 | 0 | 0 | 0 | 107.9 | V80 G200 T201 I214 V233 | V80-L82 HydrophobicContact CG1-CD2 3.63Å; V80-L82 HydrophobicContact CG1-CG 4Å; L82-G200 CarbonylContact O-C 3.44Å; L82-G200 WeakPolarHBondContact O-CA 3.5Å; L82-T201 PolarHBondContact N-O 3.19Å; L82-T201 PolarHBondContact O-N 2.95Å; L82-T201 PolarHBondContact O-OG1 3.36Å; L82-I214 HydrophobicContact CD1-CD1 4.32Å; L82-V233 HydrophobicContact CD1-CB 4.44Å; L82-V233 HydrophobicContact CD1-CG1 3.93Å; L82-V233 HydrophobicContact CD1-CG2 4.42Å |
| 83 | T | 89.7 | Confident | 85.9 | Confident | 86 Ų | 86 | 65.7 Ų | 65.7 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | trans | -69.3 | 150.3 | 171.8 | 43.1 | 0 | 0 | 0 | 0 | 110.2 | D196 | T83-D196 HydrophobicContact CG2-CB 3.88Š| ||
| 84 | L | 91.5 | Very high | 86.1 | Confident | 26 Ų | 26 | 66 Ų | 66 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | trans | -124.7 | 150.5 | 178.2 | -63.6 | -174.7 | 0 | 0 | 0 | 110.4 | I88 T201 N229 A232 V233 | L84-I88 HydrophobicContact CD1-CD1 3.51Å; L84-I88 HydrophobicContact CD1-CG1 3.69Å; L84-T201 HydrophobicContact CD1-CG2 3.49Å; L84-T201 VanDerWaalsContact CD1-CG2 3.49Å; L84-T201 HydrophobicContact CG-CG2 4.14Å; L84-N229 HydrophobicContact CD2-CB 4.32Å; L84-A232 HydrophobicContact CD2-CB 4.49Å; L84-V233 HydrophobicContact CD2-CG2 3.53Å | ||
| 85 | P | 90.1 | Very high | 86.7 | Confident | 78 Ų | 78 | 65.4 Ų | 65.4 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -67.8 | -40.5 | 168.1 | 26.1 | -31.6 | 0 | 0 | 0 | 111.9 | E228 N229 A232 | P85-E228 HydrophobicContact CG-CB 4.23Å; P85-N229 VanDerWaalsContact CD-OD1 3.25Å; P85-N229 WeakPolarHBondContact CD-OD1 3.43Å; P85-N229 WeakPolarHBondContact CG-OD1 3.34Å; P85-A232 HydrophobicContact CG-CB 4.33Å |
| 86 | H | 90.4 | Very high | 87.3 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 19% | 0.194 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -112.4 | 128.3 | -177.5 | -56.6 | -75.2 | 0 | 0 | 0 | 111.5 | M221 H225 E228 N229 | H86-M221 HydrophobicContact CB-CE 3.78Å; H86-H225 HydrophobicContact CB-CB 4.21Å; H86-H225 AromaticContact CD2-CG 3.83Å; H86-H225 AromaticContact CE1-CD2 3.27Å; H86-H225 PolarHBondContact CE1-CD2 2.85Å; H86-H225 AromaticContact CE1-CE1 3.88Å; H86-H225 AromaticContact CE1-CG 3.57Å; H86-H225 AromaticContact CE1-ND1 3.93Å; H86-H225 AromaticContact CE1-NE2 3.5Å; H86-H225 PolarHBondContact CE1-NE2 2.92Å; H86-H225 AromaticContact CG-CG 3.77Å; H86-H225 AromaticContact ND1-CD2 3.81Å; H86-H225 AromaticContact ND1-CE1 3.93Å; H86-H225 AromaticContact ND1-CG 3.63Å; H86-H225 AromaticContact ND1-ND1 3.71Å; H86-H225 AromaticContact ND1-NE2 3.99Å; H86-H225 AromaticContact NE2-CD2 3.41Å; H86-H225 PolarHBondContact NE2-CD2 3.02Å; H86-H225 AromaticContact NE2-CG 3.71Å; H86-E228 IonicContact CD2-OE2 3.78Å; H86-E228 IonicContact CE1-OE2 3.82Å; H86-E228 IonicContact NE2-OE2 3.97Å; H86-E228 PolarHBondContact NE2-OE2 3.41Å; H86-N229 PolarHBondContact N-OD1 3Å; H86-N229 PolarHBondContact O-ND2 3.17Å; H86-N229 PolarHBondContact O-OD1 2.96Å |
| 87 | S | 85.9 | Confident | 87.8 | Confident | 55 Ų | 55 | 52.4 Ų | 52.4 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | trans | -59.8 | 140.1 | 175 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | R89 M221 | S87-R89 PolarHBondContact OG-N 3.1Å; S87-R89 VanDerWaalsContact OG-N 3.1Å; S87-R89 PolarHBondContact OG-O 2.94Å; S87-M221 VanDerWaalsContact O-CE 3.24Å; S87-M221 WeakPolarHBondContact O-CE 3.36Å | ||
| 88 | I | 87.6 | Confident | 88.3 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -89.2 | -23.4 | 169.9 | -56.8 | 174.1 | 0 | 0 | 0 | 111.4 | L84 T201 R215 I216 H218 | L84-I88 HydrophobicContact CD1-CD1 3.51Å; L84-I88 HydrophobicContact CD1-CG1 3.69Å; I88-T201 HydrophobicContact CD1-CG2 3.28Å; I88-R215 HydrophobicContact CD1-CG 4.46Å; I88-R215 VanDerWaalsContact CD1-O 3.25Å; I88-R215 WeakPolarHBondContact CD1-O 3.42Å; I88-R215 HydrophobicContact CG2-CG 3.9Å; I88-I216 WeakPolarHBondContact CD1-O 3.49Å; I88-I216 WeakPolarHBondContact CG1-O 3.43Å; I88-H218 PolarHBondContact O-CD2 3.38Å |
| 89 | R | 85.4 | Confident | 88.7 | Confident | 42 Ų | 42 | 44.3 Ų | 44.3 | 16% | 0.158 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -88.1 | 137.3 | -176.5 | -59 | -166.3 | 159.1 | 85.7 | 8.4 | 109.7 | S87 E93 V198 | S87-R89 PolarHBondContact OG-N 3.1Å; S87-R89 VanDerWaalsContact OG-N 3.1Å; S87-R89 PolarHBondContact OG-O 2.94Å; R89-E93 HydrophobicContact CB-CG 4.34Å; R89-E93 WeakPolarHBondContact CD-OE2 3.26Å; R89-E93 VanDerWaalsContact CG-OE2 3.3Å; R89-E93 WeakPolarHBondContact CG-OE2 3.18Å; R89-E93 IonicContact CZ-OE2 3.15Å; R89-E93 IonicContact NE-OE2 2.87Å; R89-E93 PolarHBondContact NE-OE2 3.2Å; R89-V198 WeakPolarHBondContact CD-O 3.45Å; R89-V198 PolarHBondContact NH1-O 3.1Å |
| 90 | S | 80.2 | Confident | 88.8 | Confident | 70 Ų | 70 | 45 Ų | 45 | 49% | 0.49 | 25% | 0.251 | S | S | . | . | trans | -70.9 | 152.4 | 158.8 | 47.5 | 0 | 0 | 0 | 0 | 109.9 | S92 E93 | S90-S92 PolarHBondContact O-N 3.23Å; S90-E93 PolarHBondContact O-N 3.21Å; S90-E93 VanDerWaalsContact O-N 3.1Å | ||
| 91 | D | 77.5 | Confident | 88.9 | Confident | 156 Ų | 156 | 45.6 Ų | 45.6 | 83% | 0.834 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -0.3 | 177.9 | -53.8 | -69.2 | 0 | 0 | 0 | 113.8 | ||
| 92 | S | 80.9 | Confident | 88.6 | Confident | 108 Ų | 108 | 43.6 Ų | 43.6 | 76% | 0.755 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 1.8 | 175.5 | -44.9 | 0 | 0 | 0 | 0 | 114.3 | S90 D94 | S90-S92 PolarHBondContact O-N 3.23Å; S92-D94 PolarHBondContact O-N 2.99Å |
| 93 | E | 84.7 | Confident | 87.6 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -65.8 | 123.6 | 171.2 | -82.9 | -166.6 | -162.4 | 0 | 0 | 109.9 | R89 S90 I95 D153 R215 | R89-E93 HydrophobicContact CB-CG 4.34Å; R89-E93 WeakPolarHBondContact CD-OE2 3.26Å; R89-E93 VanDerWaalsContact CG-OE2 3.3Å; R89-E93 WeakPolarHBondContact CG-OE2 3.18Å; R89-E93 IonicContact CZ-OE2 3.15Å; R89-E93 IonicContact NE-OE2 2.87Å; R89-E93 PolarHBondContact NE-OE2 3.2Å; S90-E93 PolarHBondContact O-N 3.21Å; S90-E93 VanDerWaalsContact O-N 3.1Å; E93-I95 VanDerWaalsContact O-CG1 3.28Å; E93-I95 WeakPolarHBondContact O-CG1 3.44Å; E93-I95 PolarHBondContact O-N 3.09Å; E93-D153 HydrophobicContact CG-CB 4.47Å; E93-R215 IonicContact OE1-CZ 3.8Å; E93-R215 IonicContact OE1-NH1 3.63Å; E93-R215 PolarHBondContact OE1-NH1 2.86Å; E93-R215 IonicContact OE1-NH2 2.76Å; E93-R215 PolarHBondContact OE1-NH2 2.87Å; E93-R215 IonicContact OE2-NH1 2.68Å |
| 94 | D | 91.1 | Very high | 86.4 | Confident | 74 Ų | 74 | 52.1 Ų | 52.1 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | trans | -71.7 | 119.7 | -179.6 | -108.5 | -46.9 | 0 | 0 | 0 | 111.8 | S92 S127 F152 D153 F154 | S92-D94 PolarHBondContact O-N 2.99Å; D94-S127 WeakPolarHBondContact OD1-CB 3.24Å; D94-S127 PolarHBondContact OD1-OG 3.41Å; D94-F152 HydrophobicContact CB-CD1 3.93Å; D94-F152 HydrophobicContact CB-CE1 4.48Å; D94-D153 PolarHBondContact O-N 3.43Å; D94-F154 PolarHBondContact O-N 2.84Å; D94-F154 VanDerWaalsContact O-N 3.17Å | ||
| 95 | I | 93.7 | Very high | 85.7 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.8 | -174.2 | -45.5 | -167.4 | 0 | 0 | 0 | 111.7 | E93 T125 I126 S127 Q128 F154 L156 V198 | E93-I95 VanDerWaalsContact O-CG1 3.28Å; E93-I95 WeakPolarHBondContact O-CG1 3.44Å; E93-I95 PolarHBondContact O-N 3.09Å; I95-T125 WeakPolarHBondContact CB-O 3.47Å; I95-T125 HydrophobicContact CD1-CG2 4.09Å; I95-T125 VanDerWaalsContact CD1-O 3.31Å; I95-T125 WeakPolarHBondContact CD1-O 3.23Å; I95-T125 WeakPolarHBondContact CG1-O 3.31Å; I95-I126 HydrophobicContact CG2-CG1 4.44Å; I95-S127 PolarHBondContact N-OG 3.42Å; I95-S127 PolarHBondContact O-N 2.93Å; I95-S127 VanDerWaalsContact O-N 3.08Å; I95-Q128 PolarHBondContact O-N 3.19Å; I95-F154 WeakPolarHBondContact CA-O 3.21Å; I95-F154 HydrophobicContact CD1-CD1 4.21Å; I95-F154 HydrophobicContact CG1-CB 4.32Å; I95-F154 HydrophobicContact CG2-CB 4.39Å; I95-F154 HydrophobicContact CG2-CD1 4.1Å; I95-L156 HydrophobicContact CG2-CD1 4.05Å; I95-L156 HydrophobicContact CG2-CG 4.04Å; I95-V198 HydrophobicContact CD1-CG1 3.9Å; I95-V198 HydrophobicContact CD1-CG2 3.93Å |
| 96 | C | 94.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.7 | 172.5 | 167 | 0 | 0 | 0 | 0 | 111.5 | Q128 F152 F154 F155 L156 | C96-Q128 CarbonylContact C-O 3.45Å; C96-Q128 WeakPolarHBondContact CA-O 3.37Å; C96-F152 HydrophobicContact CB-CB 4.07Å; C96-F152 HydrophobicContact CB-CD1 3.71Å; C96-F152 HydrophobicContact CB-CD2 3.8Å; C96-F152 HydrophobicContact CB-CE1 4.15Å; C96-F152 HydrophobicContact CB-CE2 4.21Å; C96-F152 HydrophobicContact CB-CG 3.55Å; C96-F152 HydrophobicContact CB-CZ 4.4Å; C96-F154 PolarHBondContact N-O 2.91Å; C96-F155 HydrophobicContact CB-CD1 3.66Å; C96-F155 HydrophobicContact CB-CE1 3.79Å; C96-F155 CarbonylContact O-C 3.5Å; C96-F155 WeakPolarHBondContact O-CA 3.38Å; C96-L156 PolarHBondContact O-N 2.95Å |
| 97 | L | 94.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116 | 173.9 | 175.2 | 64.6 | 0 | 0 | 0 | 111.7 | T99 L118 I126 Q128 I129 I130 L156 L185 | L97-T99 HydrophobicContact CD2-CG2 3.92Å; L97-T99 HydrophobicContact CG-CG2 3.87Å; L97-L118 HydrophobicContact CD2-CD1 4.28Å; L97-I126 HydrophobicContact CB-CD1 4.44Å; L97-I126 HydrophobicContact CB-CG2 3.84Å; L97-I126 HydrophobicContact CD2-CD1 4.23Å; L97-Q128 PolarHBondContact N-O 2.92Å; L97-I129 WeakPolarHBondContact O-CA 3.36Å; L97-I130 PolarHBondContact O-N 3.5Å; L97-L156 HydrophobicContact CB-CB 4.44Å; L97-L156 HydrophobicContact CD1-CB 3.56Å; L97-L185 HydrophobicContact CD1-CD2 4.38Å; L97-L185 HydrophobicContact CD2-CD2 4.28Å |
| 98 | F | 95 | Very high | 85.2 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.6 | 168.5 | -59.3 | -60.5 | 0 | 0 | 0 | 111.4 | I130 L135 L148 F155 L156 T157 D158 I161 L165 P180 | F98-I130 WeakPolarHBondContact CA-O 3.4Å; F98-I130 HydrophobicContact CD1-CB 3.96Å; F98-I130 HydrophobicContact CD1-CG2 4.21Å; F98-I130 HydrophobicContact CE1-CB 4.15Å; F98-I130 HydrophobicContact CE1-CD1 4.27Å; F98-I130 HydrophobicContact CE1-CG2 4.25Å; F98-L135 HydrophobicContact CD1-CD1 4.28Å; F98-L135 HydrophobicContact CD1-CD2 3.99Å; F98-L135 HydrophobicContact CE1-CD1 3.72Å; F98-L135 HydrophobicContact CE1-CD2 4.17Å; F98-L135 HydrophobicContact CZ-CD1 4.34Å; F98-L148 HydrophobicContact CE1-CD2 4.2Å; F98-L148 HydrophobicContact CZ-CD2 4.08Å; F98-F155 HydrophobicContact CE2-CB 4.09Å; F98-F155 AromaticContact CE2-CD1 3.48Å; F98-F155 HydrophobicContact CE2-CD1 3.48Å; F98-F155 VanDerWaalsContact CE2-CD1 3.48Å; F98-F155 HydrophobicContact CE2-CE1 4.28Å; F98-F155 HydrophobicContact CE2-CG 4.09Å; F98-F155 AromaticContact CZ-CD1 3.6Å; F98-F155 HydrophobicContact CZ-CD1 3.6Å; F98-F155 AromaticContact CZ-CE1 3.96Å; F98-F155 HydrophobicContact CZ-CE1 3.96Å; F98-L156 WeakPolarHBondContact CD2-O 3.25Å; F98-L156 PolarHBondContact N-O 3.24Å; F98-T157 CarbonylContact O-C 3.58Å; F98-T157 WeakPolarHBondContact O-CA 3.5Å; F98-D158 PolarHBondContact O-N 2.92Å; F98-I161 HydrophobicContact CB-CD1 3.76Å; F98-L165 HydrophobicContact CB-CD2 4.49Å; F98-L165 HydrophobicContact CD2-CD2 4.36Å; F98-L165 HydrophobicContact CG-CD2 4.42Å; F98-P180 HydrophobicContact CD2-CB 4.14Å; F98-P180 HydrophobicContact CD2-CG 4Å; F98-P180 HydrophobicContact CE2-CB 4.29Å; F98-P180 HydrophobicContact CE2-CG 3.7Å |
| 99 | T | 93.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 158.2 | -177.4 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | L97 Y114 I129 I130 L132 I161 L185 | L97-T99 HydrophobicContact CD2-CG2 3.92Å; L97-T99 HydrophobicContact CG-CG2 3.87Å; T99-Y114 HydrophobicContact CG2-CD1 4.14Å; T99-Y114 HydrophobicContact CG2-CD2 3.63Å; T99-Y114 HydrophobicContact CG2-CE1 4.39Å; T99-Y114 HydrophobicContact CG2-CE2 3.92Å; T99-Y114 HydrophobicContact CG2-CG 3.76Å; T99-I129 HydrophobicContact CG2-CG2 3.48Å; T99-I129 VanDerWaalsContact CG2-CG2 3.48Å; T99-I130 PolarHBondContact N-O 3.27Å; T99-I130 VanDerWaalsContact N-O 3.09Å; T99-L132 PolarHBondContact O-N 3.34Å; T99-I161 WeakPolarHBondContact O-CD1 3.27Å; T99-L185 HydrophobicContact CG2-CD1 4.05Å |
| 100 | K | 91.6 | Very high | 85.4 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 27% | 0.27 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 133.1 | 167.7 | -173.1 | -132.3 | 162 | -153.8 | 0 | 108.9 | E102 Y114 R160 I161 | K100-E102 IonicContact NZ-OE1 3.81Å; K100-E102 IonicContact NZ-OE2 3.37Å; K100-E102 PolarHBondContact NZ-OE2 3.05Å; K100-E102 PolarHBondContact O-N 3.39Å; K100-Y114 WeakPolarHBondContact O-CE2 3.39Å; K100-Y114 PolarHBondContact O-OH 3.09Å; K100-Y114 VanDerWaalsContact O-OH 3.13Å; K100-R160 VanDerWaalsContact CD-CZ 3.47Å; K100-I161 HydrophobicContact CB-CG2 3.63Å; K100-I161 HydrophobicContact CG-CG2 3.96Å |
| 101 | D | 87.9 | Confident | 85.8 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 131.6 | 166.7 | -38.2 | -50.5 | 0 | 0 | 0 | 109.5 | L132 Q133 | D101-L132 WeakPolarHBondContact OD1-CA 3.25Å; D101-L132 WeakPolarHBondContact OD1-CB 3.34Å; D101-L132 PolarHBondContact OD1-N 2.85Å; D101-L132 WeakPolarHBondContact OD2-CB 3.38Å; D101-Q133 PolarHBondContact OD1-N 2.69Å |
| 102 | E | 83.1 | Confident | 86.4 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 143.8 | 168.1 | -62.4 | -54.5 | 163.1 | 0 | 0 | 110.2 | K100 S105 Y114 R160 | K100-E102 IonicContact NZ-OE1 3.81Å; K100-E102 IonicContact NZ-OE2 3.37Å; K100-E102 PolarHBondContact NZ-OE2 3.05Å; K100-E102 PolarHBondContact O-N 3.39Å; E102-S105 PolarHBondContact O-N 3.39Å; E102-Y114 PolarHBondContact OE1-OH 2.93Å; E102-Y114 VanDerWaalsContact OE1-OH 3.13Å; E102-R160 IonicContact OE1-CZ 2.7Å; E102-R160 VanDerWaalsContact OE1-CZ 3.26Å; E102-R160 IonicContact OE1-NH1 2.76Å; E102-R160 PolarHBondContact OE1-NH1 3.2Å; E102-R160 IonicContact OE1-NH2 2.86Å; E102-R160 PolarHBondContact OE1-NH2 3.42Å; E102-R160 IonicContact OE2-NH1 3.86Å |
| 103 | P | 70.4 | Confident | 86.9 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 142.9 | -170.8 | 24.1 | -33.8 | 0 | 0 | 0 | 111.2 | S105 | P103-S105 PolarHBondContact O-N 3.07Å; P103-S105 VanDerWaalsContact O-N 3.15Å |
| 104 | N | 64.3 | Low | 87.2 | Confident | 178 Ų | 178 | 55 Ų | 55 | 95% | 0.952 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 9.3 | 178 | -47.3 | -21 | 0 | 0 | 0 | 115.7 | ||
| 105 | S | 77.2 | Confident | 87.2 | Confident | 44 Ų | 44 | 57 Ų | 57 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | trans | -97.1 | 144.5 | 173.8 | -66.8 | 0 | 0 | 0 | 0 | 113 | E102 P103 T110 | E102-S105 PolarHBondContact O-N 3.39Å; P103-S105 PolarHBondContact O-N 3.07Å; P103-S105 VanDerWaalsContact O-N 3.15Å; S105-T110 WeakPolarHBondContact CB-OG1 3.27Å | ||
| 106 | T | 86.8 | Confident | 87.1 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 36% | 0.356 | 31% | 0.31 | S | S | . | . | trans | -70.6 | 159.2 | 165.8 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | E108 K109 T110 | T106-E108 VanDerWaalsContact C-N 3.32Å; T106-E108 PolarHBondContact O-N 3.32Å; T106-K109 PolarHBondContact O-N 3.23Å; T106-K109 WeakPolarHBondContact OG1-CB 3.47Å; T106-K109 WeakPolarHBondContact OG1-CD 3.34Å; T106-K109 VanDerWaalsContact OG1-CG 3.23Å; T106-K109 WeakPolarHBondContact OG1-CG 3.44Å; T106-K109 PolarHBondContact OG1-N 3.24Å; T106-T110 WeakPolarHBondContact O-CB 3.34Å; T106-T110 PolarHBondContact O-N 3.09Å; T106-T110 PolarHBondContact O-OG1 2.89Å | ||
| 107 | P | 83 | Confident | 86.9 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 21% | 0.208 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.3 | -48.3 | 174.6 | 19.7 | -33.3 | 0 | 0 | 0 | 111.9 | K109 T110 E111 S131 T134 | P107-K109 PolarHBondContact O-N 3.28Å; P107-T110 WeakPolarHBondContact O-CA 3.44Å; P107-T110 VanDerWaalsContact O-CB 3.28Å; P107-T110 WeakPolarHBondContact O-CB 3.44Å; P107-T110 PolarHBondContact O-N 2.83Å; P107-T110 VanDerWaalsContact O-N 3.11Å; P107-E111 WeakPolarHBondContact O-CG 3.4Å; P107-E111 PolarHBondContact O-N 2.93Å; P107-S131 WeakPolarHBondContact CB-OG 3.27Å; P107-T134 WeakPolarHBondContact CB-OG1 3.28Å |
| 108 | E | 86.8 | Confident | 86.7 | Confident | 132 Ų | 132 | 65.7 Ų | 65.7 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.3 | -48 | 176.8 | -63.1 | 163.3 | -169.4 | 0 | 0 | 113.1 | T106 T110 E111 Q112 | T106-E108 VanDerWaalsContact C-N 3.32Å; T106-E108 PolarHBondContact O-N 3.32Å; E108-T110 VanDerWaalsContact C-N 3.26Å; E108-T110 PolarHBondContact O-N 2.8Å; E108-E111 PolarHBondContact O-N 3.28Å; E108-Q112 WeakPolarHBondContact O-CB 3.27Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 2.98Å |
| 109 | K | 87.6 | Confident | 86.6 | Confident | 132 Ų | 132 | 70.6 Ų | 70.6 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.8 | -35.9 | 177.4 | -73.9 | 174.4 | -176 | -179.2 | 0 | 111.3 | T106 P107 F113 | T106-K109 PolarHBondContact O-N 3.23Å; T106-K109 WeakPolarHBondContact OG1-CB 3.47Å; T106-K109 WeakPolarHBondContact OG1-CD 3.34Å; T106-K109 VanDerWaalsContact OG1-CG 3.23Å; T106-K109 WeakPolarHBondContact OG1-CG 3.44Å; T106-K109 PolarHBondContact OG1-N 3.24Å; P107-K109 PolarHBondContact O-N 3.28Å; K109-F113 VanDerWaalsContact O-CB 3.29Å; K109-F113 WeakPolarHBondContact O-CB 3.42Å; K109-F113 PolarHBondContact O-N 3.14Å |
| 110 | T | 88.5 | Confident | 86.5 | Confident | 2 Ų | 2 | 79.1 Ų | 79.1 | 1% | 0.012 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 175 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | S105 T106 P107 E108 F113 Y114 | S105-T110 WeakPolarHBondContact CB-OG1 3.27Å; T106-T110 WeakPolarHBondContact O-CB 3.34Å; T106-T110 PolarHBondContact O-N 3.09Å; T106-T110 PolarHBondContact O-OG1 2.89Å; P107-T110 WeakPolarHBondContact O-CA 3.44Å; P107-T110 VanDerWaalsContact O-CB 3.28Å; P107-T110 WeakPolarHBondContact O-CB 3.44Å; P107-T110 PolarHBondContact O-N 2.83Å; P107-T110 VanDerWaalsContact O-N 3.11Å; E108-T110 VanDerWaalsContact C-N 3.26Å; E108-T110 PolarHBondContact O-N 2.8Å; T110-F113 WeakPolarHBondContact O-CB 3.45Å; T110-F113 PolarHBondContact O-N 2.95Å; T110-Y114 HydrophobicContact CG2-CD2 3.84Å; T110-Y114 HydrophobicContact CG2-CE2 3.61Å; T110-Y114 WeakPolarHBondContact O-CD2 3.38Å; T110-Y114 PolarHBondContact O-N 3.37Å |
| 111 | E | 89.5 | Confident | 86.3 | Confident | 43 Ų | 43 | 79.4 Ų | 79.4 | 20% | 0.201 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 179.5 | -70.7 | 165.7 | -163.3 | 0 | 0 | 111.5 | P107 E108 R115 I129 S131 T134 | P107-E111 WeakPolarHBondContact O-CG 3.4Å; P107-E111 PolarHBondContact O-N 2.93Å; E108-E111 PolarHBondContact O-N 3.28Å; E111-R115 VanDerWaalsContact O-CB 3.31Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 PolarHBondContact O-N 2.77Å; E111-I129 HydrophobicContact CG-CB 4.34Å; E111-I129 HydrophobicContact CG-CG2 4.24Å; E111-S131 PolarHBondContact OE1-N 3.41Å; E111-T134 PolarHBondContact OE1-OG1 3.35Å |
| 112 | Q | 89.5 | Confident | 86.2 | Confident | 103 Ų | 103 | 81 Ų | 81 | 48% | 0.481 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 170.6 | -71.2 | 176 | 21.6 | 0 | 0 | 112.7 | E108 R115 K116 | E108-Q112 WeakPolarHBondContact O-CB 3.27Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 2.98Å; Q112-R115 PolarHBondContact O-N 2.89Å; Q112-K116 WeakPolarHBondContact O-CB 3.48Å; Q112-K116 VanDerWaalsContact O-CG 3.29Å; Q112-K116 WeakPolarHBondContact O-CG 3.43Å; Q112-K116 PolarHBondContact O-N 3.01Å |
| 113 | F | 90.8 | Very high | 86.3 | Confident | 116 Ų | 116 | 79.1 Ų | 79.1 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62 | -50 | 176.3 | 171.3 | -94.5 | 0 | 0 | 0 | 111.3 | K109 T110 R115 K116 L117 | K109-F113 VanDerWaalsContact O-CB 3.29Å; K109-F113 WeakPolarHBondContact O-CB 3.42Å; K109-F113 PolarHBondContact O-N 3.14Å; T110-F113 WeakPolarHBondContact O-CB 3.45Å; T110-F113 PolarHBondContact O-N 2.95Å; F113-R115 PolarHBondContact O-N 3.43Å; F113-K116 PolarHBondContact O-N 3.02Å; F113-L117 PolarHBondContact O-N 3.48Å |
| 114 | Y | 90.8 | Very high | 86.8 | Confident | 8 Ų | 8 | 83.7 Ų | 83.7 | 3% | 0.031 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67 | -35.5 | 177.1 | -73.5 | -72.1 | 0 | 0 | 0 | 112.2 | T99 K100 E102 T110 K116 L117 L118 R160 L185 | T99-Y114 HydrophobicContact CG2-CD1 4.14Å; T99-Y114 HydrophobicContact CG2-CD2 3.63Å; T99-Y114 HydrophobicContact CG2-CE1 4.39Å; T99-Y114 HydrophobicContact CG2-CE2 3.92Å; T99-Y114 HydrophobicContact CG2-CG 3.76Å; K100-Y114 WeakPolarHBondContact O-CE2 3.39Å; K100-Y114 PolarHBondContact O-OH 3.09Å; K100-Y114 VanDerWaalsContact O-OH 3.13Å; E102-Y114 PolarHBondContact OE1-OH 2.93Å; E102-Y114 VanDerWaalsContact OE1-OH 3.13Å; T110-Y114 HydrophobicContact CG2-CD2 3.84Å; T110-Y114 HydrophobicContact CG2-CE2 3.61Å; T110-Y114 WeakPolarHBondContact O-CD2 3.38Å; T110-Y114 PolarHBondContact O-N 3.37Å; Y114-K116 PolarHBondContact O-N 2.86Å; Y114-L117 HydrophobicContact CD1-CD2 4.21Å; Y114-L117 WeakPolarHBondContact O-CB 3.25Å; Y114-L117 PolarHBondContact O-N 2.9Å; Y114-L118 VanDerWaalsContact O-CG 3.3Å; Y114-L118 WeakPolarHBondContact O-CG 3.27Å; Y114-L118 PolarHBondContact O-N 2.94Å; Y114-R160 PolarHBondContact OH-NH2 3.31Å; Y114-L185 HydrophobicContact CD1-CD1 4.28Å; Y114-L185 HydrophobicContact CE1-CD1 3.81Å |
| 115 | R | 92.3 | Very high | 87.8 | Confident | 116 Ų | 116 | 77.7 Ų | 77.7 | 44% | 0.438 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 173.3 | -167.1 | 174.1 | -72.3 | -83.4 | 5.4 | 111.6 | E111 Q112 F113 N119 S127 I129 | E111-R115 VanDerWaalsContact O-CB 3.31Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 PolarHBondContact O-N 2.77Å; Q112-R115 PolarHBondContact O-N 2.89Å; F113-R115 PolarHBondContact O-N 3.43Å; R115-N119 WeakPolarHBondContact O-CB 3.25Å; R115-N119 PolarHBondContact O-N 3.26Å; R115-N119 PolarHBondContact O-OD1 3.24Å; R115-S127 PolarHBondContact NH2-O 2.8Å; R115-I129 HydrophobicContact CB-CD1 3.84Å |
| 116 | K | 91.9 | Very high | 88.4 | Confident | 134 Ų | 134 | 76 Ų | 76 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 171.8 | -73.6 | 168.9 | -179.7 | 175.9 | 0 | 112.1 | Q112 F113 Y114 K120 | Q112-K116 WeakPolarHBondContact O-CB 3.48Å; Q112-K116 VanDerWaalsContact O-CG 3.29Å; Q112-K116 WeakPolarHBondContact O-CG 3.43Å; Q112-K116 PolarHBondContact O-N 3.01Å; F113-K116 PolarHBondContact O-N 3.02Å; Y114-K116 PolarHBondContact O-N 2.86Å; K116-K120 WeakPolarHBondContact O-CG 3.3Å; K116-K120 PolarHBondContact O-N 2.7Å; K116-K120 VanDerWaalsContact O-N 3.07Å |
| 117 | L | 90 | Very high | 88.6 | Confident | 43 Ų | 43 | 75.6 Ų | 75.6 | 23% | 0.225 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.1 | -46 | 176.6 | -177.4 | 64.5 | 0 | 0 | 0 | 112.3 | F113 Y114 N119 K120 H121 L190 | F113-L117 PolarHBondContact O-N 3.48Å; Y114-L117 HydrophobicContact CD1-CD2 4.21Å; Y114-L117 WeakPolarHBondContact O-CB 3.25Å; Y114-L117 PolarHBondContact O-N 2.9Å; L117-N119 PolarHBondContact O-N 2.82Å; L117-K120 WeakPolarHBondContact O-CB 3.08Å; L117-K120 PolarHBondContact O-N 3.02Å; L117-H121 PolarHBondContact O-CD2 3.45Å; L117-H121 VanDerWaalsContact O-CD2 3.31Å; L117-H121 PolarHBondContact O-N 3.04Å; L117-L190 HydrophobicContact CD2-CD2 3.95Å; L117-L190 HydrophobicContact CG-CD2 3.98Å |
| 118 | L | 91.1 | Very high | 89 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61 | -44.4 | 176.7 | -68.4 | 174.4 | 0 | 0 | 0 | 111.3 | L97 Y114 K120 H121 G122 I123 I126 I129 L190 I194 | L97-L118 HydrophobicContact CD2-CD1 4.28Å; Y114-L118 VanDerWaalsContact O-CG 3.3Å; Y114-L118 WeakPolarHBondContact O-CG 3.27Å; Y114-L118 PolarHBondContact O-N 2.94Å; L118-K120 PolarHBondContact O-N 3.49Å; L118-H121 CarbonylContact O-C 3.41Å; L118-H121 PolarHBondContact O-N 2.73Å; L118-H121 VanDerWaalsContact O-N 3.09Å; L118-G122 PolarHBondContact O-N 2.66Å; L118-G122 VanDerWaalsContact O-N 3.13Å; L118-I123 HydrophobicContact CB-CB 4.24Å; L118-I123 HydrophobicContact CD2-CB 4.15Å; L118-I123 HydrophobicContact CD2-CD1 3.81Å; L118-I123 HydrophobicContact CD2-CG2 4.22Å; L118-I123 PolarHBondContact O-N 2.79Å; L118-I126 HydrophobicContact CD1-CB 4.17Å; L118-I126 HydrophobicContact CD1-CD1 3.83Å; L118-I126 HydrophobicContact CD1-CG2 4.22Å; L118-I126 HydrophobicContact CD2-CD1 3.97Å; L118-I129 HydrophobicContact CD1-CD1 3.79Å; L118-I129 HydrophobicContact CD1-CG1 4.35Å; L118-L190 HydrophobicContact CD2-CD2 4.38Å; L118-I194 HydrophobicContact CD2-CD1 3.73Å |
| 119 | N | 91.9 | Very high | 89.4 | Confident | 103 Ų | 103 | 71 Ų | 71 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 175.3 | -72.5 | -1.2 | 0 | 0 | 0 | 112.4 | R115 L117 H121 G122 | R115-N119 WeakPolarHBondContact O-CB 3.25Å; R115-N119 PolarHBondContact O-N 3.26Å; R115-N119 PolarHBondContact O-OD1 3.24Å; L117-N119 PolarHBondContact O-N 2.82Å; N119-H121 PolarHBondContact O-N 3.47Å; N119-G122 PolarHBondContact O-N 2.97Å |
| 120 | K | 91.5 | Very high | 89.7 | Confident | 180 Ų | 180 | 64.7 Ų | 64.7 | 78% | 0.783 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.4 | -29.2 | 174.7 | -77.1 | 178.8 | 177.2 | -169 | 0 | 113.5 | K116 L117 L118 | K116-K120 WeakPolarHBondContact O-CG 3.3Å; K116-K120 PolarHBondContact O-N 2.7Å; K116-K120 VanDerWaalsContact O-N 3.07Å; L117-K120 WeakPolarHBondContact O-CB 3.08Å; L117-K120 PolarHBondContact O-N 3.02Å; L118-K120 PolarHBondContact O-N 3.49Å |
| 121 | H | 87.2 | Confident | 89.9 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 31% | 0.31 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 8.3 | 175.4 | -71.5 | -73.9 | 0 | 0 | 0 | 113.6 | L117 L118 N119 I123 | L117-H121 PolarHBondContact O-CD2 3.45Å; L117-H121 VanDerWaalsContact O-CD2 3.31Å; L117-H121 PolarHBondContact O-N 3.04Å; L118-H121 CarbonylContact O-C 3.41Å; L118-H121 PolarHBondContact O-N 2.73Å; L118-H121 VanDerWaalsContact O-N 3.09Å; N119-H121 PolarHBondContact O-N 3.47Å; H121-I123 VanDerWaalsContact C-N 3.3Å; H121-I123 HydrophobicContact CB-CD1 3.84Å; H121-I123 HydrophobicContact CB-CG1 3.9Å; H121-I123 PolarHBondContact O-N 3.37Å |
| 122 | G | 85.3 | Confident | 90 | Very high | 58 Ų | 58 | 63 Ų | 63 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 11 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L118 N119 K124 | L118-G122 PolarHBondContact O-N 2.66Å; L118-G122 VanDerWaalsContact O-N 3.13Å; N119-G122 PolarHBondContact O-N 2.97Å; G122-K124 PolarHBondContact O-N 2.84Å |
| 123 | I | 85.2 | Confident | 90.1 | Very high | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | trans | -88 | 98.6 | -168.5 | -48.5 | 174.8 | 0 | 0 | 0 | 110.2 | L118 H121 I126 L190 I194 | L118-I123 HydrophobicContact CB-CB 4.24Å; L118-I123 HydrophobicContact CD2-CB 4.15Å; L118-I123 HydrophobicContact CD2-CD1 3.81Å; L118-I123 HydrophobicContact CD2-CG2 4.22Å; L118-I123 PolarHBondContact O-N 2.79Å; H121-I123 VanDerWaalsContact C-N 3.3Å; H121-I123 HydrophobicContact CB-CD1 3.84Å; H121-I123 HydrophobicContact CB-CG1 3.9Å; H121-I123 PolarHBondContact O-N 3.37Å; I123-I126 HydrophobicContact CG2-CD1 4.25Å; I123-L190 HydrophobicContact CD1-CG 4.05Å; I123-I194 HydrophobicContact CD1-CB 4.4Å; I123-I194 HydrophobicContact CD1-CD1 3.8Å; I123-I194 HydrophobicContact CG2-CG2 4.03Å | ||
| 124 | K | 82.2 | Confident | 90.2 | Very high | 191 Ų | 191 | 55.7 Ų | 55.7 | 83% | 0.83 | 28% | 0.278 | S | S | * | . | trans | -93.8 | -14 | 179.1 | -64.1 | -178.4 | -178.6 | 177.8 | 0 | 114.3 | G122 I126 | G122-K124 PolarHBondContact O-N 2.84Å; K124-I126 PolarHBondContact O-N 3.15Å | ||
| 125 | T | 84.8 | Confident | 90.3 | Very high | 52 Ų | 52 | 55.6 Ų | 55.6 | 32% | 0.319 | 28% | 0.278 | S | S | . | . | trans | -73.4 | 14.8 | -170.7 | -21.7 | 0 | 0 | 0 | 0 | 115.4 | I95 V198 | I95-T125 WeakPolarHBondContact CB-O 3.47Å; I95-T125 HydrophobicContact CD1-CG2 4.09Å; I95-T125 VanDerWaalsContact CD1-O 3.31Å; I95-T125 WeakPolarHBondContact CD1-O 3.23Å; I95-T125 WeakPolarHBondContact CG1-O 3.31Å; T125-V198 HydrophobicContact CG2-CG1 4.49Å | ||
| 126 | I | 89.9 | Confident | 90.2 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | trans | -123.1 | 106 | -175.7 | -63.9 | 174.3 | 0 | 0 | 0 | 109.2 | I95 L97 L118 I123 K124 I129 L156 I194 | I95-I126 HydrophobicContact CG2-CG1 4.44Å; L97-I126 HydrophobicContact CB-CD1 4.44Å; L97-I126 HydrophobicContact CB-CG2 3.84Å; L97-I126 HydrophobicContact CD2-CD1 4.23Å; L118-I126 HydrophobicContact CD1-CB 4.17Å; L118-I126 HydrophobicContact CD1-CD1 3.83Å; L118-I126 HydrophobicContact CD1-CG2 4.22Å; L118-I126 HydrophobicContact CD2-CD1 3.97Å; I123-I126 HydrophobicContact CG2-CD1 4.25Å; K124-I126 PolarHBondContact O-N 3.15Å; I126-I129 HydrophobicContact CG2-CG1 4.21Å; I126-L156 HydrophobicContact CD1-CD1 4.13Å; I126-I194 HydrophobicContact CD1-CD1 4.12Å; I126-I194 HydrophobicContact CD1-CG2 4.31Å | ||
| 127 | S | 91.6 | Very high | 90.2 | Very high | 51 Ų | 51 | 55 Ų | 55 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | trans | -66.3 | -59 | -176.8 | -40.5 | 0 | 0 | 0 | 0 | 111.3 | D94 I95 R115 | D94-S127 WeakPolarHBondContact OD1-CB 3.24Å; D94-S127 PolarHBondContact OD1-OG 3.41Å; I95-S127 PolarHBondContact N-OG 3.42Å; I95-S127 PolarHBondContact O-N 2.93Å; I95-S127 VanDerWaalsContact O-N 3.08Å; R115-S127 PolarHBondContact NH2-O 2.8Å | ||
| 128 | Q | 91.9 | Very high | 90.3 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144.5 | -179.3 | -165.6 | 172 | 4.1 | 0 | 0 | 112.3 | I95 C96 L97 I130 F152 | I95-Q128 PolarHBondContact O-N 3.19Å; C96-Q128 CarbonylContact C-O 3.45Å; C96-Q128 WeakPolarHBondContact CA-O 3.37Å; L97-Q128 PolarHBondContact N-O 2.92Å; Q128-I130 HydrophobicContact CG-CD1 4.4Å; Q128-I130 HydrophobicContact CG-CG1 3.88Å; Q128-F152 HydrophobicContact CB-CE1 3.88Å; Q128-F152 HydrophobicContact CB-CZ 3.57Å; Q128-F152 HydrophobicContact CG-CZ 4.42Å |
| 129 | I | 94 | Very high | 90.3 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.9 | 169.7 | -51.3 | 175.7 | 0 | 0 | 0 | 105.6 | L97 T99 E111 R115 L118 I126 | L97-I129 WeakPolarHBondContact O-CA 3.36Å; T99-I129 HydrophobicContact CG2-CG2 3.48Å; T99-I129 VanDerWaalsContact CG2-CG2 3.48Å; E111-I129 HydrophobicContact CG-CB 4.34Å; E111-I129 HydrophobicContact CG-CG2 4.24Å; R115-I129 HydrophobicContact CB-CD1 3.84Å; L118-I129 HydrophobicContact CD1-CD1 3.79Å; L118-I129 HydrophobicContact CD1-CG1 4.35Å; I126-I129 HydrophobicContact CG2-CG1 4.21Å |
| 130 | I | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119.4 | -178.7 | -60.4 | -174.9 | 0 | 0 | 0 | 108.7 | L97 F98 T99 Q128 T134 L135 Y139 L148 | L97-I130 PolarHBondContact O-N 3.5Å; F98-I130 WeakPolarHBondContact CA-O 3.4Å; F98-I130 HydrophobicContact CD1-CB 3.96Å; F98-I130 HydrophobicContact CD1-CG2 4.21Å; F98-I130 HydrophobicContact CE1-CB 4.15Å; F98-I130 HydrophobicContact CE1-CD1 4.27Å; F98-I130 HydrophobicContact CE1-CG2 4.25Å; T99-I130 PolarHBondContact N-O 3.27Å; T99-I130 VanDerWaalsContact N-O 3.09Å; Q128-I130 HydrophobicContact CG-CD1 4.4Å; Q128-I130 HydrophobicContact CG-CG1 3.88Å; I130-T134 HydrophobicContact CG2-CG2 4.02Å; I130-L135 HydrophobicContact CG2-CB 4.23Å; I130-Y139 HydrophobicContact CD1-CE2 4.27Å; I130-Y139 HydrophobicContact CG2-CE2 4.37Å; I130-L148 HydrophobicContact CD1-CD1 3.56Å |
| 131 | S | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 158.4 | 176.1 | 86.3 | 0 | 0 | 0 | 0 | 112.5 | P107 E111 Q133 T134 L135 | P107-S131 WeakPolarHBondContact CB-OG 3.27Å; E111-S131 PolarHBondContact OE1-N 3.41Å; S131-Q133 PolarHBondContact O-N 2.92Å; S131-Q133 PolarHBondContact OG-N 2.76Å; S131-T134 WeakPolarHBondContact O-CB 3.47Å; S131-T134 PolarHBondContact O-N 3.4Å; S131-T134 PolarHBondContact OG-N 3.07Å; S131-T134 PolarHBondContact OG-OG1 3.26Å; S131-L135 WeakPolarHBondContact O-CB 2.81Å; S131-L135 PolarHBondContact O-N 2.73Å |
| 132 | L | 92 | Very high | 90.6 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.6 | -23.9 | 177.4 | -177.5 | 75.8 | 0 | 0 | 0 | 111.6 | T99 D101 K136 I161 L164 L168 | T99-L132 PolarHBondContact O-N 3.34Å; D101-L132 WeakPolarHBondContact OD1-CA 3.25Å; D101-L132 WeakPolarHBondContact OD1-CB 3.34Å; D101-L132 PolarHBondContact OD1-N 2.85Å; D101-L132 WeakPolarHBondContact OD2-CB 3.38Å; L132-K136 VanDerWaalsContact O-CD 3.26Å; L132-K136 WeakPolarHBondContact O-CD 3.48Å; L132-K136 WeakPolarHBondContact O-CG 3.39Å; L132-K136 PolarHBondContact O-N 3.05Å; L132-I161 HydrophobicContact CD1-CB 4.36Å; L132-I161 HydrophobicContact CD1-CD1 4.46Å; L132-I161 HydrophobicContact CD2-CB 4.49Å; L132-I161 HydrophobicContact CD2-CG2 4.01Å; L132-L164 HydrophobicContact CD2-CD1 3.94Å; L132-L168 HydrophobicContact CD1-CD1 3.39Å; L132-L168 HydrophobicContact CG-CD1 4.46Å |
| 133 | Q | 91 | Very high | 91 | Very high | 57 Ų | 57 | 62.8 Ų | 62.8 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.2 | -49.9 | 166.1 | -77.4 | -176.5 | 60.7 | 0 | 0 | 112.3 | D101 S131 L135 K136 K137 | D101-Q133 PolarHBondContact OD1-N 2.69Å; S131-Q133 PolarHBondContact O-N 2.92Å; S131-Q133 PolarHBondContact OG-N 2.76Å; Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.25Å; Q133-K136 PolarHBondContact O-N 2.77Å; Q133-K137 PolarHBondContact O-N 2.85Å |
| 134 | T | 92.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.2 | -50 | 176.5 | -44.9 | 0 | 0 | 0 | 0 | 109.7 | P107 E111 I130 S131 K136 K137 E138 Y139 | P107-T134 WeakPolarHBondContact CB-OG1 3.28Å; E111-T134 PolarHBondContact OE1-OG1 3.35Å; I130-T134 HydrophobicContact CG2-CG2 4.02Å; S131-T134 WeakPolarHBondContact O-CB 3.47Å; S131-T134 PolarHBondContact O-N 3.4Å; S131-T134 PolarHBondContact OG-N 3.07Å; S131-T134 PolarHBondContact OG-OG1 3.26Å; T134-K136 VanDerWaalsContact C-N 3.27Å; T134-K136 PolarHBondContact O-N 2.89Å; T134-K137 PolarHBondContact O-N 3.4Å; T134-E138 WeakPolarHBondContact CG2-OE1 3.45Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.4Å; T134-E138 PolarHBondContact O-N 2.92Å; T134-E138 VanDerWaalsContact O-N 3.1Å; T134-Y139 HydrophobicContact CG2-CE2 4.17Å |
| 135 | L | 92.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -27.2 | 178.5 | -168.6 | 66.2 | 0 | 0 | 0 | 114.4 | F98 I130 S131 Q133 Y139 L148 L165 L168 I169 | F98-L135 HydrophobicContact CD1-CD1 4.28Å; F98-L135 HydrophobicContact CD1-CD2 3.99Å; F98-L135 HydrophobicContact CE1-CD1 3.72Å; F98-L135 HydrophobicContact CE1-CD2 4.17Å; F98-L135 HydrophobicContact CZ-CD1 4.34Å; I130-L135 HydrophobicContact CG2-CB 4.23Å; S131-L135 WeakPolarHBondContact O-CB 2.81Å; S131-L135 PolarHBondContact O-N 2.73Å; Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.25Å; L135-Y139 HydrophobicContact CD1-CD2 4.48Å; L135-Y139 HydrophobicContact CD1-CG 4.36Å; L135-L148 HydrophobicContact CD1-CD2 4.05Å; L135-L165 HydrophobicContact CD2-CD2 3.8Å; L135-L168 HydrophobicContact CD2-CB 4.16Å; L135-L168 HydrophobicContact CD2-CD1 4.03Å; L135-L168 HydrophobicContact CG-CB 4.34Å; L135-L168 HydrophobicContact CG-CD1 4.48Å; L135-I169 HydrophobicContact CD1-CG2 4.45Å; L135-I169 HydrophobicContact CD2-CG2 4.23Å |
| 136 | K | 91.3 | Very high | 92.3 | Very high | 97 Ų | 97 | 56.6 Ų | 56.6 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -84.5 | -32 | 176.9 | -76.2 | 164.5 | -174.1 | 160.4 | 0 | 113.4 | L132 Q133 T134 L168 | L132-K136 VanDerWaalsContact O-CD 3.26Å; L132-K136 WeakPolarHBondContact O-CD 3.48Å; L132-K136 WeakPolarHBondContact O-CG 3.39Å; L132-K136 PolarHBondContact O-N 3.05Å; Q133-K136 PolarHBondContact O-N 2.77Å; T134-K136 VanDerWaalsContact C-N 3.27Å; T134-K136 PolarHBondContact O-N 2.89Å; K136-L168 HydrophobicContact CG-CD1 4.22Å; K136-L168 HydrophobicContact CG-CD2 3.77Å |
| 137 | K | 91.9 | Very high | 92.5 | Very high | 142 Ų | 142 | 63.9 Ų | 63.9 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -86.6 | -67.7 | -174.8 | -70.5 | 179 | 178.2 | 178.1 | 0 | 111.2 | Q133 T134 | Q133-K137 PolarHBondContact O-N 2.85Å; T134-K137 PolarHBondContact O-N 3.4Å |
| 138 | E | 91.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 61.7 Ų | 61.7 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -73.5 | -52.7 | -173.1 | -69.1 | 148.1 | -133.7 | 0 | 0 | 111.4 | T134 K140 | T134-E138 WeakPolarHBondContact CG2-OE1 3.45Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.4Å; T134-E138 PolarHBondContact O-N 2.92Å; T134-E138 VanDerWaalsContact O-N 3.1Å; E138-K140 PolarHBondContact O-N 2.68Å |
| 139 | Y | 91.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 59.3 Ų | 59.3 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -79.4 | 25.5 | -175.1 | -58.8 | -84.1 | 0 | 0 | 0 | 113.3 | I130 T134 L135 A144 K145 L148 | I130-Y139 HydrophobicContact CD1-CE2 4.27Å; I130-Y139 HydrophobicContact CG2-CE2 4.37Å; T134-Y139 HydrophobicContact CG2-CE2 4.17Å; L135-Y139 HydrophobicContact CD1-CD2 4.48Å; L135-Y139 HydrophobicContact CD1-CG 4.36Å; Y139-A144 HydrophobicContact CD1-CB 4.07Å; Y139-K145 WeakPolarHBondContact O-CE 3.45Å; Y139-K145 VanDerWaalsContact O-CG 3.27Å; Y139-K145 WeakPolarHBondContact O-CG 3.22Å; Y139-L148 HydrophobicContact CD1-CB 3.77Å; Y139-L148 HydrophobicContact CD1-CD1 4.42Å; Y139-L148 HydrophobicContact CD1-CD2 3.71Å; Y139-L148 HydrophobicContact CD1-CG 4.18Å; Y139-L148 HydrophobicContact CE1-CB 3.74Å; Y139-L148 HydrophobicContact CE1-CD1 3.91Å; Y139-L148 HydrophobicContact CE1-CD2 4.05Å; Y139-L148 HydrophobicContact CE1-CG 4.11Å; Y139-L148 HydrophobicContact CG-CD2 4.08Å |
| 140 | K | 91.1 | Very high | 92.5 | Very high | 161 Ų | 161 | 64 Ų | 64 | 70% | 0.7 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -74.8 | -38.2 | 174.9 | -175.4 | 179.1 | 175.3 | -172.7 | 0 | 112.1 | E138 K145 | E138-K140 PolarHBondContact O-N 2.68Å; K140-K145 VanDerWaalsContact O-CE 3.27Å; K140-K145 WeakPolarHBondContact O-CE 3.24Å; K140-K145 PolarHBondContact O-NZ 3.13Å |
| 141 | S | 93.6 | Very high | 92.4 | Very high | 62 Ų | 62 | 67.3 Ų | 67.3 | 43% | 0.434 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -69.6 | 159.3 | -175.6 | 76 | 0 | 0 | 0 | 0 | 112.7 | A144 K145 | S141-A144 VanDerWaalsContact OG-CB 3.23Å; S141-A144 WeakPolarHBondContact OG-CB 3.49Å; S141-A144 PolarHBondContact OG-N 3.08Å; S141-K145 WeakPolarHBondContact O-CG 3.13Å; S141-K145 PolarHBondContact O-N 2.78Å |
| 142 | Y | 92.1 | Very high | 92.4 | Very high | 137 Ų | 137 | 68 Ų | 68 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 178.2 | 179.6 | -95.8 | 0 | 0 | 0 | 111.6 | K145 L146 H172 | Y142-K145 PolarHBondContact O-N 2.94Å; Y142-L146 HydrophobicContact CD1-CD1 4.07Å; Y142-L146 HydrophobicContact CE1-CD1 3.41Å; Y142-L146 VanDerWaalsContact CE1-CD1 3.41Å; Y142-L146 HydrophobicContact CE1-CG 4.27Å; Y142-L146 PolarHBondContact O-N 2.94Å; Y142-H172 AromaticContact CE2-CE1 3.42Å; Y142-H172 VanDerWaalsContact CE2-CE1 3.42Å; Y142-H172 WeakPolarHBondContact CE2-CE1 3.4Å; Y142-H172 AromaticContact CE2-NE2 3.4Å; Y142-H172 WeakPolarHBondContact CE2-NE2 3.43Å; Y142-H172 AromaticContact CZ-CE1 3.89Å |
| 143 | E | 93.8 | Very high | 92.3 | Very high | 113 Ų | 113 | 71.7 Ų | 71.7 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | -179.8 | -70.1 | -176.2 | -140.7 | 0 | 0 | 112.9 | K145 L146 R147 | E143-K145 PolarHBondContact O-N 3.15Å; E143-L146 CarbonylContact O-C 3.53Å; E143-L146 WeakPolarHBondContact O-CA 3.35Å; E143-L146 PolarHBondContact O-N 3.07Å; E143-R147 WeakPolarHBondContact O-CG 3.36Å; E143-R147 PolarHBondContact O-N 3.33Å; E143-R147 IonicContact OE2-CZ 3.82Å; E143-R147 IonicContact OE2-NE 2.98Å; E143-R147 IonicContact OE2-NH2 3.74Å; E143-R147 PolarHBondContact OE2-NH2 3.38Å |
| 144 | A | 94 | Very high | 92.4 | Very high | 18 Ų | 18 | 69.8 Ų | 69.8 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.4 | -36.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y139 S141 R147 L148 | Y139-A144 HydrophobicContact CD1-CB 4.07Å; S141-A144 VanDerWaalsContact OG-CB 3.23Å; S141-A144 WeakPolarHBondContact OG-CB 3.49Å; S141-A144 PolarHBondContact OG-N 3.08Å; A144-R147 PolarHBondContact O-N 2.87Å; A144-L148 VanDerWaalsContact O-CB 3.31Å; A144-L148 WeakPolarHBondContact O-CB 3.19Å; A144-L148 PolarHBondContact O-N 2.93Å |
| 145 | K | 92.3 | Very high | 92.4 | Very high | 39 Ų | 39 | 69.4 Ų | 69.4 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.2 | -34.7 | 174.2 | -65.5 | 174.7 | -167.4 | -170.7 | 0 | 112.9 | Y139 K140 S141 Y142 E143 L149 L168 | Y139-K145 WeakPolarHBondContact O-CE 3.45Å; Y139-K145 VanDerWaalsContact O-CG 3.27Å; Y139-K145 WeakPolarHBondContact O-CG 3.22Å; K140-K145 VanDerWaalsContact O-CE 3.27Å; K140-K145 WeakPolarHBondContact O-CE 3.24Å; K140-K145 PolarHBondContact O-NZ 3.13Å; S141-K145 WeakPolarHBondContact O-CG 3.13Å; S141-K145 PolarHBondContact O-N 2.78Å; Y142-K145 PolarHBondContact O-N 2.94Å; E143-K145 PolarHBondContact O-N 3.15Å; K145-L149 WeakPolarHBondContact O-CB 3.48Å; K145-L149 PolarHBondContact O-N 2.99Å; K145-L149 VanDerWaalsContact O-N 3.15Å; K145-L168 WeakPolarHBondContact CE-O 3.44Å; K145-L168 PolarHBondContact NZ-O 2.92Å |
| 146 | L | 92.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 69.2 Ų | 69.2 | 34% | 0.34 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -74.5 | -40.2 | 174.8 | -68.3 | -174.6 | 0 | 0 | 0 | 112.2 | Y142 E143 L149 S150 H172 | Y142-L146 HydrophobicContact CD1-CD1 4.07Å; Y142-L146 HydrophobicContact CE1-CD1 3.41Å; Y142-L146 VanDerWaalsContact CE1-CD1 3.41Å; Y142-L146 HydrophobicContact CE1-CG 4.27Å; Y142-L146 PolarHBondContact O-N 2.94Å; E143-L146 CarbonylContact O-C 3.53Å; E143-L146 WeakPolarHBondContact O-CA 3.35Å; E143-L146 PolarHBondContact O-N 3.07Å; L146-L149 PolarHBondContact O-N 3.4Å; L146-S150 WeakPolarHBondContact O-CB 3.46Å; L146-S150 PolarHBondContact O-N 3.03Å; L146-H172 HydrophobicContact CD2-CB 4.07Å |
| 147 | R | 93.9 | Very high | 92.6 | Very high | 161 Ų | 161 | 64.6 Ų | 64.6 | 61% | 0.608 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.2 | -53.1 | 173.8 | -65.6 | 177.4 | -162.7 | -163.1 | 6.3 | 109.9 | E143 A144 L149 S150 S151 | E143-R147 WeakPolarHBondContact O-CG 3.36Å; E143-R147 PolarHBondContact O-N 3.33Å; E143-R147 IonicContact OE2-CZ 3.82Å; E143-R147 IonicContact OE2-NE 2.98Å; E143-R147 IonicContact OE2-NH2 3.74Å; E143-R147 PolarHBondContact OE2-NH2 3.38Å; A144-R147 PolarHBondContact O-N 2.87Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 3.14Å; R147-S150 CarbonylContact O-C 3.59Å; R147-S150 WeakPolarHBondContact O-CA 3.29Å; R147-S150 WeakPolarHBondContact O-CB 3.25Å; R147-S150 PolarHBondContact O-N 3.29Å; R147-S151 PolarHBondContact O-N 3.45Å; R147-S151 PolarHBondContact O-OG 3.17Å |
| 148 | L | 93.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.2 | -43.2 | 175.6 | -176.6 | 63.4 | 0 | 0 | 0 | 113 | F98 I130 L135 Y139 A144 S150 S151 F152 F155 F173 | F98-L148 HydrophobicContact CE1-CD2 4.2Å; F98-L148 HydrophobicContact CZ-CD2 4.08Å; I130-L148 HydrophobicContact CD1-CD1 3.56Å; L135-L148 HydrophobicContact CD1-CD2 4.05Å; Y139-L148 HydrophobicContact CD1-CB 3.77Å; Y139-L148 HydrophobicContact CD1-CD1 4.42Å; Y139-L148 HydrophobicContact CD1-CD2 3.71Å; Y139-L148 HydrophobicContact CD1-CG 4.18Å; Y139-L148 HydrophobicContact CE1-CB 3.74Å; Y139-L148 HydrophobicContact CE1-CD1 3.91Å; Y139-L148 HydrophobicContact CE1-CD2 4.05Å; Y139-L148 HydrophobicContact CE1-CG 4.11Å; Y139-L148 HydrophobicContact CG-CD2 4.08Å; A144-L148 VanDerWaalsContact O-CB 3.31Å; A144-L148 WeakPolarHBondContact O-CB 3.19Å; A144-L148 PolarHBondContact O-N 2.93Å; L148-S150 PolarHBondContact O-N 2.78Å; L148-S151 PolarHBondContact O-N 3.29Å; L148-F152 HydrophobicContact CD1-CD2 3.8Å; L148-F152 HydrophobicContact CD1-CE2 3.84Å; L148-F155 HydrophobicContact CD1-CE1 4.38Å; L148-F155 HydrophobicContact CG-CE1 4.21Å; L148-F155 WeakPolarHBondContact O-CZ 3.39Å; L148-F173 HydrophobicContact CD2-CZ 3.97Å; L148-F173 HydrophobicContact CG-CZ 4.11Å |
| 149 | L | 92.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.5 | -17.5 | 178.6 | -176.3 | 59 | 0 | 0 | 0 | 113.8 | K145 L146 R147 F155 H172 F173 R176 K178 | K145-L149 WeakPolarHBondContact O-CB 3.48Å; K145-L149 PolarHBondContact O-N 2.99Å; K145-L149 VanDerWaalsContact O-N 3.15Å; L146-L149 PolarHBondContact O-N 3.4Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 3.14Å; L149-F155 HydrophobicContact CD1-CE2 4.17Å; L149-H172 HydrophobicContact CD2-CB 3.81Å; L149-F173 HydrophobicContact CB-CD2 4.47Å; L149-F173 HydrophobicContact CB-CE2 3.96Å; L149-F173 HydrophobicContact CB-CZ 4.11Å; L149-F173 HydrophobicContact CD1-CD1 3.95Å; L149-F173 HydrophobicContact CD1-CD2 4.16Å; L149-F173 HydrophobicContact CD1-CE1 4.12Å; L149-F173 HydrophobicContact CD1-CE2 4.3Å; L149-F173 HydrophobicContact CD1-CG 3.96Å; L149-F173 HydrophobicContact CD1-CZ 4.28Å; L149-F173 HydrophobicContact CD2-CD2 4.19Å; L149-F173 HydrophobicContact CD2-CE2 4.47Å; L149-F173 HydrophobicContact CG-CE2 4.49Å; L149-R176 HydrophobicContact CD1-CB 4.38Å; L149-R176 HydrophobicContact CD2-CB 4.16Å; L149-R176 HydrophobicContact CD2-CG 3.9Å; L149-R176 HydrophobicContact CG-CG 4.5Å; L149-K178 HydrophobicContact CD1-CB 3.84Å; L149-K178 HydrophobicContact CD1-CD 3.92Å; L149-K178 HydrophobicContact CD1-CG 4.38Å; L149-K178 PolarHBondContact O-NZ 3.25Å |
| 150 | S | 91.9 | Very high | 92.7 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -96.9 | -25.2 | 176.5 | -161.8 | 0 | 0 | 0 | 0 | 113.2 | L146 R147 L148 | L146-S150 WeakPolarHBondContact O-CB 3.46Å; L146-S150 PolarHBondContact O-N 3.03Å; R147-S150 CarbonylContact O-C 3.59Å; R147-S150 WeakPolarHBondContact O-CA 3.29Å; R147-S150 WeakPolarHBondContact O-CB 3.25Å; R147-S150 PolarHBondContact O-N 3.29Å; L148-S150 PolarHBondContact O-N 2.78Å |
| 151 | S | 92.4 | Very high | 92.7 | Very high | 70 Ų | 70 | 49.6 Ų | 49.6 | 49% | 0.49 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -81.1 | -17.8 | 179.3 | -61.3 | 0 | 0 | 0 | 0 | 114.5 | R147 L148 | R147-S151 PolarHBondContact O-N 3.45Å; R147-S151 PolarHBondContact O-OG 3.17Å; L148-S151 PolarHBondContact O-N 3.29Å |
| 152 | F | 93.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | trans | -132.5 | 140.6 | -177.1 | -61.7 | -77 | 0 | 0 | 0 | 112 | D94 C96 Q128 L148 F155 K178 | D94-F152 HydrophobicContact CB-CD1 3.93Å; D94-F152 HydrophobicContact CB-CE1 4.48Å; C96-F152 HydrophobicContact CB-CB 4.07Å; C96-F152 HydrophobicContact CB-CD1 3.71Å; C96-F152 HydrophobicContact CB-CD2 3.8Å; C96-F152 HydrophobicContact CB-CE1 4.15Å; C96-F152 HydrophobicContact CB-CE2 4.21Å; C96-F152 HydrophobicContact CB-CG 3.55Å; C96-F152 HydrophobicContact CB-CZ 4.4Å; Q128-F152 HydrophobicContact CB-CE1 3.88Å; Q128-F152 HydrophobicContact CB-CZ 3.57Å; Q128-F152 HydrophobicContact CG-CZ 4.42Å; L148-F152 HydrophobicContact CD1-CD2 3.8Å; L148-F152 HydrophobicContact CD1-CE2 3.84Å; F152-F155 HydrophobicContact CB-CE1 3.81Å; F152-F155 HydrophobicContact CB-CE2 4.27Å; F152-F155 HydrophobicContact CB-CZ 3.64Å; F152-F155 HydrophobicContact CD2-CE1 4.21Å; F152-F155 HydrophobicContact CD2-CZ 4.49Å; F152-F155 HydrophobicContact CG-CE1 4.3Å; F152-F155 HydrophobicContact CG-CZ 4.5Å; F152-K178 PolarHBondContact O-NZ 2.9Å | ||
| 153 | D | 90.3 | Very high | 92.5 | Very high | 88 Ų | 88 | 55.8 Ų | 55.8 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -91.9 | -32.9 | 176.4 | -77.7 | -48.6 | 0 | 0 | 0 | 113.3 | E93 D94 K178 | E93-D153 HydrophobicContact CG-CB 4.47Å; D94-D153 PolarHBondContact O-N 3.43Å; D153-K178 VanDerWaalsContact OD1-CE 3.25Å; D153-K178 WeakPolarHBondContact OD1-CE 3.49Å; D153-K178 IonicContact OD1-NZ 3.33Å; D153-K178 PolarHBondContact OD1-NZ 3.39Å |
| 154 | F | 91.6 | Very high | 92.3 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.9 | 175.7 | -166.1 | -139.6 | 0 | 0 | 0 | 113.7 | D94 I95 C96 L156 V181 C197 V198 | D94-F154 PolarHBondContact O-N 2.84Å; D94-F154 VanDerWaalsContact O-N 3.17Å; I95-F154 WeakPolarHBondContact CA-O 3.21Å; I95-F154 HydrophobicContact CD1-CD1 4.21Å; I95-F154 HydrophobicContact CG1-CB 4.32Å; I95-F154 HydrophobicContact CG2-CB 4.39Å; I95-F154 HydrophobicContact CG2-CD1 4.1Å; C96-F154 PolarHBondContact N-O 2.91Å; F154-L156 HydrophobicContact CD1-CD2 4.14Å; F154-L156 HydrophobicContact CD1-CG 4.34Å; F154-L156 HydrophobicContact CE1-CD2 3.39Å; F154-L156 HydrophobicContact CE1-CG 4.06Å; F154-L156 HydrophobicContact CZ-CD2 3.77Å; F154-V181 HydrophobicContact CE2-CB 4.14Å; F154-V181 HydrophobicContact CE2-CG2 3.48Å; F154-V181 VanDerWaalsContact CE2-CG2 3.48Å; F154-V181 HydrophobicContact CZ-CB 3.9Å; F154-V181 HydrophobicContact CZ-CG2 3.68Å; F154-C197 WeakPolarHBondContact CE1-O 3.4Å; F154-C197 WeakPolarHBondContact CZ-O 3.42Å; F154-V198 HydrophobicContact CE1-CG2 4.27Å |
| 155 | F | 94.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.5 | 178.7 | -65.3 | -81 | 0 | 0 | 0 | 110 | C96 F98 L148 L149 F152 F173 K178 P180 V181 | C96-F155 HydrophobicContact CB-CD1 3.66Å; C96-F155 HydrophobicContact CB-CE1 3.79Å; C96-F155 CarbonylContact O-C 3.5Å; C96-F155 WeakPolarHBondContact O-CA 3.38Å; F98-F155 HydrophobicContact CE2-CB 4.09Å; F98-F155 AromaticContact CE2-CD1 3.48Å; F98-F155 HydrophobicContact CE2-CD1 3.48Å; F98-F155 VanDerWaalsContact CE2-CD1 3.48Å; F98-F155 HydrophobicContact CE2-CE1 4.28Å; F98-F155 HydrophobicContact CE2-CG 4.09Å; F98-F155 AromaticContact CZ-CD1 3.6Å; F98-F155 HydrophobicContact CZ-CD1 3.6Å; F98-F155 AromaticContact CZ-CE1 3.96Å; F98-F155 HydrophobicContact CZ-CE1 3.96Å; L148-F155 HydrophobicContact CD1-CE1 4.38Å; L148-F155 HydrophobicContact CG-CE1 4.21Å; L148-F155 WeakPolarHBondContact O-CZ 3.39Å; L149-F155 HydrophobicContact CD1-CE2 4.17Å; F152-F155 HydrophobicContact CB-CE1 3.81Å; F152-F155 HydrophobicContact CB-CE2 4.27Å; F152-F155 HydrophobicContact CB-CZ 3.64Å; F152-F155 HydrophobicContact CD2-CE1 4.21Å; F152-F155 HydrophobicContact CD2-CZ 4.49Å; F152-F155 HydrophobicContact CG-CE1 4.3Å; F152-F155 HydrophobicContact CG-CZ 4.5Å; F155-F173 HydrophobicContact CD1-CE1 4.05Å; F155-F173 HydrophobicContact CD2-CD1 4.16Å; F155-F173 AromaticContact CD2-CE1 3.87Å; F155-F173 HydrophobicContact CD2-CE1 3.87Å; F155-F173 AromaticContact CE1-CE1 3.74Å; F155-F173 HydrophobicContact CE1-CE1 3.74Å; F155-F173 HydrophobicContact CE1-CZ 4.27Å; F155-F173 HydrophobicContact CE2-CD1 4.09Å; F155-F173 AromaticContact CE2-CE1 3.56Å; F155-F173 HydrophobicContact CE2-CE1 3.56Å; F155-F173 HydrophobicContact CE2-CZ 4.42Å; F155-F173 HydrophobicContact CG-CE1 4.11Å; F155-F173 HydrophobicContact CZ-CD1 4.43Å; F155-F173 AromaticContact CZ-CE1 3.48Å; F155-F173 HydrophobicContact CZ-CE1 3.48Å; F155-F173 VanDerWaalsContact CZ-CE1 3.48Å; F155-F173 HydrophobicContact CZ-CZ 4Å; F155-K178 HydrophobicContact CD2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CD 4.26Å; F155-P180 HydrophobicContact CB-CB 3.79Å; F155-P180 HydrophobicContact CB-CG 3.68Å; F155-P180 HydrophobicContact CG-CG 4.33Å; F155-P180 CarbonylContact O-C 3.56Å; F155-P180 VanDerWaalsContact O-CA 3.28Å; F155-P180 WeakPolarHBondContact O-CA 3.43Å; F155-V181 PolarHBondContact O-N 3.34Å |
| 156 | L | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 158 | 166.4 | -64 | 179.1 | 0 | 0 | 0 | 109.7 | I95 C96 L97 F98 I126 F154 V181 V183 I194 C197 V198 | I95-L156 HydrophobicContact CG2-CD1 4.05Å; I95-L156 HydrophobicContact CG2-CG 4.04Å; C96-L156 PolarHBondContact O-N 2.95Å; L97-L156 HydrophobicContact CB-CB 4.44Å; L97-L156 HydrophobicContact CD1-CB 3.56Å; F98-L156 WeakPolarHBondContact CD2-O 3.25Å; F98-L156 PolarHBondContact N-O 3.24Å; I126-L156 HydrophobicContact CD1-CD1 4.13Å; F154-L156 HydrophobicContact CD1-CD2 4.14Å; F154-L156 HydrophobicContact CD1-CG 4.34Å; F154-L156 HydrophobicContact CE1-CD2 3.39Å; F154-L156 HydrophobicContact CE1-CG 4.06Å; F154-L156 HydrophobicContact CZ-CD2 3.77Å; L156-V181 CarbonylContact C-O 3.48Å; L156-V181 WeakPolarHBondContact CA-O 3.39Å; L156-V181 HydrophobicContact CD2-CB 4.36Å; L156-V183 HydrophobicContact CB-CG2 4.42Å; L156-V183 HydrophobicContact CD1-CG2 4.45Å; L156-V183 HydrophobicContact CD2-CG2 3.84Å; L156-V183 HydrophobicContact CG-CG2 4.47Å; L156-I194 HydrophobicContact CD1-CG2 4.21Å; L156-C197 HydrophobicContact CD2-CB 4.27Å; L156-V198 HydrophobicContact CD1-CG2 4.32Å |
| 157 | T | 94 | Very high | 92 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 147.3 | 173.4 | 175 | 0 | 0 | 0 | 0 | 111.3 | F98 A159 I161 R162 L165 P180 V181 S182 V183 | F98-T157 CarbonylContact O-C 3.58Å; F98-T157 WeakPolarHBondContact O-CA 3.5Å; T157-A159 PolarHBondContact O-N 3.19Å; T157-I161 WeakPolarHBondContact OG1-CD1 3.13Å; T157-I161 WeakPolarHBondContact OG1-CG1 3.49Å; T157-R162 HydrophobicContact CG2-CB 4.39Å; T157-L165 HydrophobicContact CG2-CD1 3.71Å; T157-L165 WeakPolarHBondContact OG1-CD1 3.45Å; T157-P180 HydrophobicContact CG2-CB 3.9Å; T157-V181 PolarHBondContact N-O 3.18Å; T157-S182 CarbonylContact O-C 3.58Å; T157-S182 VanDerWaalsContact O-CA 3.22Å; T157-S182 WeakPolarHBondContact O-CA 3.45Å; T157-V183 PolarHBondContact O-N 2.89Å |
| 158 | D | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 133.7 | 162.2 | -167.6 | -30.9 | 0 | 0 | 0 | 110.4 | F98 R160 I161 R162 L185 | F98-D158 PolarHBondContact O-N 2.92Å; D158-R160 PolarHBondContact O-N 3.14Å; D158-R160 VanDerWaalsContact OD1-CB 3.27Å; D158-R160 WeakPolarHBondContact OD1-CB 3.02Å; D158-R160 VanDerWaalsContact OD1-CG 3.27Å; D158-R160 WeakPolarHBondContact OD1-CG 3.39Å; D158-R160 PolarHBondContact OD1-N 3.39Å; D158-R160 IonicContact OD1-NE 2.68Å; D158-R160 PolarHBondContact OD1-NE 2.95Å; D158-R160 IonicContact OD2-CZ 3.26Å; D158-R160 IonicContact OD2-NE 3.85Å; D158-R160 PolarHBondContact OD2-NE 2.79Å; D158-R160 IonicContact OD2-NH2 2.74Å; D158-R160 PolarHBondContact OD2-NH2 3.43Å; D158-I161 HydrophobicContact CB-CD1 4.31Å; D158-I161 HydrophobicContact CB-CG1 4.17Å; D158-I161 PolarHBondContact O-N 2.87Å; D158-R162 PolarHBondContact O-N 3.35Å; D158-L185 HydrophobicContact CB-CD1 3.74Å; D158-L185 HydrophobicContact CB-CG 4.23Å |
| 159 | A | 91.5 | Very high | 91.6 | Very high | 48 Ų | 48 | 50.8 Ų | 50.8 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T157 V183 | T157-A159 PolarHBondContact O-N 3.19Å; A159-V183 PolarHBondContact N-O 3.35Å |
| 160 | R | 91.3 | Very high | 91.3 | Very high | 86 Ų | 86 | 51 Ų | 51 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -44 | 177.4 | -64.5 | -178.1 | -71 | 170.8 | 6.1 | 112.1 | K100 E102 Y114 D158 | K100-R160 VanDerWaalsContact CD-CZ 3.47Å; E102-R160 IonicContact OE1-CZ 2.7Å; E102-R160 VanDerWaalsContact OE1-CZ 3.26Å; E102-R160 IonicContact OE1-NH1 2.76Å; E102-R160 PolarHBondContact OE1-NH1 3.2Å; E102-R160 IonicContact OE1-NH2 2.86Å; E102-R160 PolarHBondContact OE1-NH2 3.42Å; E102-R160 IonicContact OE2-NH1 3.86Å; Y114-R160 PolarHBondContact OH-NH2 3.31Å; D158-R160 PolarHBondContact O-N 3.14Å; D158-R160 VanDerWaalsContact OD1-CB 3.27Å; D158-R160 WeakPolarHBondContact OD1-CB 3.02Å; D158-R160 VanDerWaalsContact OD1-CG 3.27Å; D158-R160 WeakPolarHBondContact OD1-CG 3.39Å; D158-R160 PolarHBondContact OD1-N 3.39Å; D158-R160 IonicContact OD1-NE 2.68Å; D158-R160 PolarHBondContact OD1-NE 2.95Å; D158-R160 IonicContact OD2-CZ 3.26Å; D158-R160 IonicContact OD2-NE 3.85Å; D158-R160 PolarHBondContact OD2-NE 2.79Å; D158-R160 IonicContact OD2-NH2 2.74Å; D158-R160 PolarHBondContact OD2-NH2 3.43Å |
| 161 | I | 91.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -12.9 | -173.2 | 73.5 | -175.3 | 0 | 0 | 0 | 114.3 | F98 T99 K100 L132 T157 D158 R163 L164 L165 | F98-I161 HydrophobicContact CB-CD1 3.76Å; T99-I161 WeakPolarHBondContact O-CD1 3.27Å; K100-I161 HydrophobicContact CB-CG2 3.63Å; K100-I161 HydrophobicContact CG-CG2 3.96Å; L132-I161 HydrophobicContact CD1-CB 4.36Å; L132-I161 HydrophobicContact CD1-CD1 4.46Å; L132-I161 HydrophobicContact CD2-CB 4.49Å; L132-I161 HydrophobicContact CD2-CG2 4.01Å; T157-I161 WeakPolarHBondContact OG1-CD1 3.13Å; T157-I161 WeakPolarHBondContact OG1-CG1 3.49Å; D158-I161 HydrophobicContact CB-CD1 4.31Å; D158-I161 HydrophobicContact CB-CG1 4.17Å; D158-I161 PolarHBondContact O-N 2.87Å; I161-R163 PolarHBondContact O-N 2.78Å; I161-L164 PolarHBondContact O-N 2.89Å; I161-L165 HydrophobicContact CD1-CD2 4.44Å; I161-L165 HydrophobicContact CG1-CD2 4.49Å |
| 162 | R | 90.3 | Very high | 91.1 | Very high | 102 Ų | 102 | 52.6 Ų | 52.6 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -31 | -174.8 | 172.6 | 174.2 | 162.7 | -166.9 | -6.3 | 114.6 | T157 D158 L164 S182 | T157-R162 HydrophobicContact CG2-CB 4.39Å; D158-R162 PolarHBondContact O-N 3.35Å; R162-L164 VanDerWaalsContact C-N 3.34Å; R162-S182 WeakPolarHBondContact CD-OG 3.34Å; R162-S182 PolarHBondContact NH1-OG 2.74Å; R162-S182 VanDerWaalsContact NH1-OG 3.07Å |
| 163 | R | 90.6 | Very high | 91 | Very high | 227 Ų | 227 | 52 Ų | 52 | 86% | 0.857 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -27 | 178.2 | -67.5 | -175.4 | 176.8 | 116.2 | -4.5 | 113.8 | I161 | I161-R163 PolarHBondContact O-N 2.78Š|
| 164 | L | 90.9 | Very high | 90.8 | Very high | 92 Ų | 92 | 52 Ų | 52 | 48% | 0.482 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -30.5 | -176.1 | -57.2 | 177.4 | 0 | 0 | 0 | 112.5 | L132 I161 R162 S167 | L132-L164 HydrophobicContact CD2-CD1 3.94Å; I161-L164 PolarHBondContact O-N 2.89Å; R162-L164 VanDerWaalsContact C-N 3.34Å; L164-S167 PolarHBondContact O-N 3.24Å |
| 165 | L | 91.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -47.9 | -42.9 | -177.3 | -68 | -176.4 | 0 | 0 | 0 | 115.9 | F98 L135 T157 I161 S167 L168 I169 P180 | F98-L165 HydrophobicContact CB-CD2 4.49Å; F98-L165 HydrophobicContact CD2-CD2 4.36Å; F98-L165 HydrophobicContact CG-CD2 4.42Å; L135-L165 HydrophobicContact CD2-CD2 3.8Å; T157-L165 HydrophobicContact CG2-CD1 3.71Å; T157-L165 WeakPolarHBondContact OG1-CD1 3.45Å; I161-L165 HydrophobicContact CD1-CD2 4.44Å; I161-L165 HydrophobicContact CG1-CD2 4.49Å; L165-S167 PolarHBondContact O-N 3.46Å; L165-S167 VanDerWaalsContact O-N 3.12Å; L165-L168 PolarHBondContact O-N 2.85Å; L165-I169 HydrophobicContact CB-CD1 4.41Å; L165-I169 HydrophobicContact CD2-CG2 4.36Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 3.36Å; L165-P180 HydrophobicContact CD1-CB 3.84Å; L165-P180 HydrophobicContact CD1-CG 4.06Å |
| 166 | P | 90.1 | Very high | 90.4 | Very high | 61 Ų | 61 | 67.3 Ų | 67.3 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -31.5 | -176 | -20.7 | 29.7 | 0 | 0 | 0 | 113.5 | G170 Y174 | P166-G170 PolarHBondContact O-N 2.81Å; P166-Y174 HydrophobicContact CB-CE2 4.43Å; P166-Y174 WeakPolarHBondContact CG-OH 3.43Å |
| 167 | S | 90.7 | Very high | 90 | Very high | 105 Ų | 105 | 75.5 Ų | 75.5 | 73% | 0.734 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -77.3 | -34.2 | 177.2 | -166.4 | 0 | 0 | 0 | 0 | 112.3 | L164 L165 | L164-S167 PolarHBondContact O-N 3.24Å; L165-S167 PolarHBondContact O-N 3.46Å; L165-S167 VanDerWaalsContact O-N 3.12Å |
| 168 | L | 90.3 | Very high | 89.7 | Confident | 33 Ų | 33 | 78.1 Ų | 78.1 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -80.2 | -61.6 | -176.7 | -59.7 | 178.2 | 0 | 0 | 0 | 111.6 | L132 L135 K136 K145 L165 G170 | L132-L168 HydrophobicContact CD1-CD1 3.39Å; L132-L168 HydrophobicContact CG-CD1 4.46Å; L135-L168 HydrophobicContact CD2-CB 4.16Å; L135-L168 HydrophobicContact CD2-CD1 4.03Å; L135-L168 HydrophobicContact CG-CB 4.34Å; L135-L168 HydrophobicContact CG-CD1 4.48Å; K136-L168 HydrophobicContact CG-CD1 4.22Å; K136-L168 HydrophobicContact CG-CD2 3.77Å; K145-L168 WeakPolarHBondContact CE-O 3.44Å; K145-L168 PolarHBondContact NZ-O 2.92Å; L165-L168 PolarHBondContact O-N 2.85Å; L168-G170 PolarHBondContact O-N 2.74Å |
| 169 | I | 87.6 | Confident | 89.5 | Confident | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.9 | -21.7 | -176.4 | 78.6 | -171.4 | 0 | 0 | 0 | 112.2 | L135 L165 F173 Y174 P180 | L135-I169 HydrophobicContact CD1-CG2 4.45Å; L135-I169 HydrophobicContact CD2-CG2 4.23Å; L165-I169 HydrophobicContact CB-CD1 4.41Å; L165-I169 HydrophobicContact CD2-CG2 4.36Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 3.36Å; I169-F173 HydrophobicContact CB-CD1 4.28Å; I169-F173 HydrophobicContact CB-CD2 3.68Å; I169-F173 HydrophobicContact CB-CE1 4.46Å; I169-F173 HydrophobicContact CB-CE2 3.91Å; I169-F173 HydrophobicContact CB-CG 3.9Å; I169-F173 HydrophobicContact CB-CZ 4.31Å; I169-F173 HydrophobicContact CD1-CB 3.67Å; I169-F173 HydrophobicContact CD1-CD1 3.87Å; I169-F173 HydrophobicContact CD1-CD2 4.39Å; I169-F173 HydrophobicContact CD1-CG 3.72Å; I169-F173 HydrophobicContact CG1-CB 3.9Å; I169-F173 HydrophobicContact CG1-CD1 4.35Å; I169-F173 HydrophobicContact CG1-CD2 4Å; I169-F173 HydrophobicContact CG1-CG 3.83Å; I169-F173 WeakPolarHBondContact O-CD2 3.28Å; I169-Y174 HydrophobicContact CD1-CE2 3.94Å; I169-Y174 HydrophobicContact CG1-CE2 4.08Å; I169-P180 HydrophobicContact CD1-CG 3.91Å |
| 170 | G | 87.3 | Confident | 89.5 | Confident | 18 Ų | 18 | 76.9 Ų | 76.9 | 19% | 0.186 | 35% | 0.345 | C | S | . | . | trans | 66.7 | -172.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P166 L168 H172 Y174 | P166-G170 PolarHBondContact O-N 2.81Å; L168-G170 PolarHBondContact O-N 2.74Å; G170-H172 PolarHBondContact O-N 2.92Å; G170-H172 VanDerWaalsContact O-N 3.13Å; G170-Y174 WeakPolarHBondContact O-CD2 3.38Å | ||
| 171 | R | 89.9 | Confident | 89.6 | Confident | 180 Ų | 180 | 73 Ų | 73 | 68% | 0.679 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.6 | -24.8 | -171.5 | 64.9 | -178.6 | 175.7 | -179 | -0.6 | 115.3 | F173 Y174 Q175 | R171-F173 PolarHBondContact O-N 3.18Å; R171-Y174 PolarHBondContact O-N 2.88Å; R171-Y174 VanDerWaalsContact O-N 3.16Å; R171-Q175 PolarHBondContact O-N 3.29Å |
| 172 | H | 89.5 | Confident | 89.6 | Confident | 23 Ų | 23 | 73.2 Ų | 73.2 | 11% | 0.106 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.4 | -39.8 | -167.4 | -62.6 | -80 | 0 | 0 | 0 | 112.8 | Y142 L146 L149 G170 Y174 Q175 R176 | Y142-H172 AromaticContact CE2-CE1 3.42Å; Y142-H172 VanDerWaalsContact CE2-CE1 3.42Å; Y142-H172 WeakPolarHBondContact CE2-CE1 3.4Å; Y142-H172 AromaticContact CE2-NE2 3.4Å; Y142-H172 WeakPolarHBondContact CE2-NE2 3.43Å; Y142-H172 AromaticContact CZ-CE1 3.89Å; L146-H172 HydrophobicContact CD2-CB 4.07Å; L149-H172 HydrophobicContact CD2-CB 3.81Å; G170-H172 PolarHBondContact O-N 2.92Å; G170-H172 VanDerWaalsContact O-N 3.13Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 PolarHBondContact O-N 2.98Å; H172-Q175 PolarHBondContact O-N 3.12Å; H172-R176 WeakPolarHBondContact O-CB 3.43Å; H172-R176 PolarHBondContact O-N 3.5Å |
| 173 | F | 90.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -36 | 174.6 | -76.8 | -114.3 | 0 | 0 | 0 | 112.2 | L148 L149 F155 I169 R171 K177 K178 V179 P180 | L148-F173 HydrophobicContact CD2-CZ 3.97Å; L148-F173 HydrophobicContact CG-CZ 4.11Å; L149-F173 HydrophobicContact CB-CD2 4.47Å; L149-F173 HydrophobicContact CB-CE2 3.96Å; L149-F173 HydrophobicContact CB-CZ 4.11Å; L149-F173 HydrophobicContact CD1-CD1 3.95Å; L149-F173 HydrophobicContact CD1-CD2 4.16Å; L149-F173 HydrophobicContact CD1-CE1 4.12Å; L149-F173 HydrophobicContact CD1-CE2 4.3Å; L149-F173 HydrophobicContact CD1-CG 3.96Å; L149-F173 HydrophobicContact CD1-CZ 4.28Å; L149-F173 HydrophobicContact CD2-CD2 4.19Å; L149-F173 HydrophobicContact CD2-CE2 4.47Å; L149-F173 HydrophobicContact CG-CE2 4.49Å; F155-F173 HydrophobicContact CD1-CE1 4.05Å; F155-F173 HydrophobicContact CD2-CD1 4.16Å; F155-F173 AromaticContact CD2-CE1 3.87Å; F155-F173 HydrophobicContact CD2-CE1 3.87Å; F155-F173 AromaticContact CE1-CE1 3.74Å; F155-F173 HydrophobicContact CE1-CE1 3.74Å; F155-F173 HydrophobicContact CE1-CZ 4.27Å; F155-F173 HydrophobicContact CE2-CD1 4.09Å; F155-F173 AromaticContact CE2-CE1 3.56Å; F155-F173 HydrophobicContact CE2-CE1 3.56Å; F155-F173 HydrophobicContact CE2-CZ 4.42Å; F155-F173 HydrophobicContact CG-CE1 4.11Å; F155-F173 HydrophobicContact CZ-CD1 4.43Å; F155-F173 AromaticContact CZ-CE1 3.48Å; F155-F173 HydrophobicContact CZ-CE1 3.48Å; F155-F173 VanDerWaalsContact CZ-CE1 3.48Å; F155-F173 HydrophobicContact CZ-CZ 4Å; I169-F173 HydrophobicContact CB-CD1 4.28Å; I169-F173 HydrophobicContact CB-CD2 3.68Å; I169-F173 HydrophobicContact CB-CE1 4.46Å; I169-F173 HydrophobicContact CB-CE2 3.91Å; I169-F173 HydrophobicContact CB-CG 3.9Å; I169-F173 HydrophobicContact CB-CZ 4.31Å; I169-F173 HydrophobicContact CD1-CB 3.67Å; I169-F173 HydrophobicContact CD1-CD1 3.87Å; I169-F173 HydrophobicContact CD1-CD2 4.39Å; I169-F173 HydrophobicContact CD1-CG 3.72Å; I169-F173 HydrophobicContact CG1-CB 3.9Å; I169-F173 HydrophobicContact CG1-CD1 4.35Å; I169-F173 HydrophobicContact CG1-CD2 4Å; I169-F173 HydrophobicContact CG1-CG 3.83Å; I169-F173 WeakPolarHBondContact O-CD2 3.28Å; R171-F173 PolarHBondContact O-N 3.18Å; F173-K177 CarbonylContact O-C 3.54Å; F173-K177 PolarHBondContact O-N 3.45Å; F173-K177 VanDerWaalsContact O-N 3.1Å; F173-K178 WeakPolarHBondContact CD1-O 3.43Å; F173-K178 PolarHBondContact O-N 3.37Å; F173-V179 WeakPolarHBondContact O-CG2 3.44Å; F173-P180 HydrophobicContact CD1-CG 4.47Å |
| 174 | Y | 87.5 | Confident | 89.7 | Confident | 89 Ų | 89 | 60.8 Ų | 60.8 | 35% | 0.349 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -75 | -40.9 | 177.3 | -64.2 | -95.8 | 0 | 0 | 0 | 111.7 | P166 I169 G170 R171 H172 K177 V179 | P166-Y174 HydrophobicContact CB-CE2 4.43Å; P166-Y174 WeakPolarHBondContact CG-OH 3.43Å; I169-Y174 HydrophobicContact CD1-CE2 3.94Å; I169-Y174 HydrophobicContact CG1-CE2 4.08Å; G170-Y174 WeakPolarHBondContact O-CD2 3.38Å; R171-Y174 PolarHBondContact O-N 2.88Å; R171-Y174 VanDerWaalsContact O-N 3.16Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 PolarHBondContact O-N 2.98Å; Y174-K177 PolarHBondContact O-N 3.46Å; Y174-K177 VanDerWaalsContact O-N 3.13Å; Y174-V179 HydrophobicContact CD1-CG1 4.03Å; Y174-V179 HydrophobicContact CD1-CG2 3.6Å; Y174-V179 HydrophobicContact CE1-CB 4.41Å; Y174-V179 HydrophobicContact CE1-CG1 3.47Å; Y174-V179 VanDerWaalsContact CE1-CG1 3.47Å; Y174-V179 HydrophobicContact CE1-CG2 3.96Å; Y174-V179 HydrophobicContact CE2-CG1 4.42Å; Y174-V179 HydrophobicContact CG-CG2 3.91Å |
| 175 | Q | 88 | Confident | 89.5 | Confident | 146 Ų | 146 | 57 Ų | 57 | 68% | 0.682 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.2 | -39.4 | 176.7 | -169.1 | 175 | 5.2 | 0 | 0 | 112.2 | R171 H172 K177 | R171-Q175 PolarHBondContact O-N 3.29Å; H172-Q175 PolarHBondContact O-N 3.12Å; Q175-K177 VanDerWaalsContact C-N 3.3Å |
| 176 | R | 87.5 | Confident | 89.3 | Confident | 194 Ų | 194 | 62.5 Ų | 62.5 | 73% | 0.732 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.4 | 172.7 | -69.1 | -69 | -170.7 | 151.1 | 2.4 | 113.9 | L149 H172 K178 | L149-R176 HydrophobicContact CD1-CB 4.38Å; L149-R176 HydrophobicContact CD2-CB 4.16Å; L149-R176 HydrophobicContact CD2-CG 3.9Å; L149-R176 HydrophobicContact CG-CG 4.5Å; H172-R176 WeakPolarHBondContact O-CB 3.43Å; H172-R176 PolarHBondContact O-N 3.5Å; R176-K178 PolarHBondContact O-N 3.02Å |
| 177 | K | 86.4 | Confident | 89.1 | Confident | 172 Ų | 172 | 61.1 Ų | 61.1 | 75% | 0.748 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 59.8 | -6.9 | -178.1 | -54.3 | 173.2 | -172.6 | 164.6 | 0 | 116.9 | F173 Y174 Q175 V179 | F173-K177 CarbonylContact O-C 3.54Å; F173-K177 PolarHBondContact O-N 3.45Å; F173-K177 VanDerWaalsContact O-N 3.1Å; Y174-K177 PolarHBondContact O-N 3.46Å; Y174-K177 VanDerWaalsContact O-N 3.13Å; Q175-K177 VanDerWaalsContact C-N 3.3Å; K177-V179 PolarHBondContact O-N 3.45Å |
| 178 | K | 88.1 | Confident | 88.8 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | trans | -67.4 | 55.4 | 171 | -68.9 | -173.7 | 171.1 | -176.7 | 0 | 112.2 | L149 F152 D153 F155 F173 R176 | L149-K178 HydrophobicContact CD1-CB 3.84Å; L149-K178 HydrophobicContact CD1-CD 3.92Å; L149-K178 HydrophobicContact CD1-CG 4.38Å; L149-K178 PolarHBondContact O-NZ 3.25Å; F152-K178 PolarHBondContact O-NZ 2.9Å; D153-K178 VanDerWaalsContact OD1-CE 3.25Å; D153-K178 WeakPolarHBondContact OD1-CE 3.49Å; D153-K178 IonicContact OD1-NZ 3.33Å; D153-K178 PolarHBondContact OD1-NZ 3.39Å; F155-K178 HydrophobicContact CD2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CD 4.26Å; F173-K178 WeakPolarHBondContact CD1-O 3.43Å; F173-K178 PolarHBondContact O-N 3.37Å; R176-K178 PolarHBondContact O-N 3.02Å | ||
| 179 | V | 89 | Confident | 88.7 | Confident | 18 Ų | 18 | 69.1 Ų | 69.1 | 11% | 0.109 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 126.9 | -175.4 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | F173 Y174 K177 | F173-V179 WeakPolarHBondContact O-CG2 3.44Å; Y174-V179 HydrophobicContact CD1-CG1 4.03Å; Y174-V179 HydrophobicContact CD1-CG2 3.6Å; Y174-V179 HydrophobicContact CE1-CB 4.41Å; Y174-V179 HydrophobicContact CE1-CG1 3.47Å; Y174-V179 VanDerWaalsContact CE1-CG1 3.47Å; Y174-V179 HydrophobicContact CE1-CG2 3.96Å; Y174-V179 HydrophobicContact CE2-CG1 4.42Å; Y174-V179 HydrophobicContact CG-CG2 3.91Å; K177-V179 PolarHBondContact O-N 3.45Å |
| 180 | P | 92.3 | Very high | 88.8 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.7 | -170.1 | -26.9 | 34.8 | 0 | 0 | 0 | 115.3 | R79 F98 F155 T157 L165 I169 F173 | R79-P180 PolarHBondContact NH1-O 2.95Å; F98-P180 HydrophobicContact CD2-CB 4.14Å; F98-P180 HydrophobicContact CD2-CG 4Å; F98-P180 HydrophobicContact CE2-CB 4.29Å; F98-P180 HydrophobicContact CE2-CG 3.7Å; F155-P180 HydrophobicContact CB-CB 3.79Å; F155-P180 HydrophobicContact CB-CG 3.68Å; F155-P180 HydrophobicContact CG-CG 4.33Å; F155-P180 CarbonylContact O-C 3.56Å; F155-P180 VanDerWaalsContact O-CA 3.28Å; F155-P180 WeakPolarHBondContact O-CA 3.43Å; T157-P180 HydrophobicContact CG2-CB 3.9Å; L165-P180 HydrophobicContact CD1-CB 3.84Å; L165-P180 HydrophobicContact CD1-CG 4.06Å; I169-P180 HydrophobicContact CD1-CG 3.91Å; F173-P180 HydrophobicContact CD1-CG 4.47Å |
| 181 | V | 92.5 | Very high | 88.9 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.3 | -178.3 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | F154 F155 L156 T157 V202 | F154-V181 HydrophobicContact CE2-CB 4.14Å; F154-V181 HydrophobicContact CE2-CG2 3.48Å; F154-V181 VanDerWaalsContact CE2-CG2 3.48Å; F154-V181 HydrophobicContact CZ-CB 3.9Å; F154-V181 HydrophobicContact CZ-CG2 3.68Å; F155-V181 PolarHBondContact O-N 3.34Å; L156-V181 CarbonylContact C-O 3.48Å; L156-V181 WeakPolarHBondContact CA-O 3.39Å; L156-V181 HydrophobicContact CD2-CB 4.36Å; T157-V181 PolarHBondContact N-O 3.18Å; V181-V202 HydrophobicContact CB-CG2 4.42Å; V181-V202 HydrophobicContact CG1-CG2 3.83Å; V181-V202 HydrophobicContact CG2-CB 4.43Å; V181-V202 HydrophobicContact CG2-CG2 3.65Å |
| 182 | S | 91.8 | Very high | 88.9 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 144.5 | 179.2 | 44.4 | 0 | 0 | 0 | 0 | 112.2 | R81 T157 R162 | R81-S182 PolarHBondContact NE-O 3.48Å; R81-S182 PolarHBondContact NH2-O 3.09Å; T157-S182 CarbonylContact O-C 3.58Å; T157-S182 VanDerWaalsContact O-CA 3.22Å; T157-S182 WeakPolarHBondContact O-CA 3.45Å; R162-S182 WeakPolarHBondContact CD-OG 3.34Å; R162-S182 PolarHBondContact NH1-OG 2.74Å; R162-S182 VanDerWaalsContact NH1-OG 3.07Å |
| 183 | V | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 142.4 | 177.4 | 165.4 | 0 | 0 | 0 | 0 | 107.9 | L156 T157 A159 L185 L190 E193 I194 C197 | L156-V183 HydrophobicContact CB-CG2 4.42Å; L156-V183 HydrophobicContact CD1-CG2 4.45Å; L156-V183 HydrophobicContact CD2-CG2 3.84Å; L156-V183 HydrophobicContact CG-CG2 4.47Å; T157-V183 PolarHBondContact O-N 2.89Å; A159-V183 PolarHBondContact N-O 3.35Å; V183-L185 HydrophobicContact CG1-CD2 3.8Å; V183-L185 PolarHBondContact O-N 2.91Å; V183-L190 HydrophobicContact CG1-CD1 4.33Å; V183-E193 WeakPolarHBondContact CA-OE1 3.36Å; V183-E193 HydrophobicContact CG1-CG 3.89Å; V183-I194 HydrophobicContact CG1-CD1 4.29Å; V183-I194 HydrophobicContact CG1-CG1 3.69Å; V183-I194 HydrophobicContact CG2-CG1 4.44Å; V183-C197 HydrophobicContact CG2-CB 4.23Å |
| 184 | N | 90.8 | Very high | 89 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -87.4 | 92.7 | 172.5 | -172.8 | 9.8 | 0 | 0 | 0 | 112.1 | L186 S187 E193 | N184-L186 PolarHBondContact O-N 3.49Å; N184-L186 VanDerWaalsContact O-N 3.15Å; N184-L186 PolarHBondContact OD1-N 3.42Å; N184-S187 WeakPolarHBondContact O-CB 3.44Å; N184-S187 PolarHBondContact O-N 2.87Å; N184-S187 VanDerWaalsContact O-N 3.14Å; N184-S187 PolarHBondContact O-OG 2.87Å; N184-E193 PolarHBondContact N-OE1 3.42Å | ||
| 185 | L | 87.3 | Confident | 89.1 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.8 | 178.4 | -60.2 | -176 | 0 | 0 | 0 | 114.3 | L97 T99 Y114 D158 V183 L190 | L97-L185 HydrophobicContact CD1-CD2 4.38Å; L97-L185 HydrophobicContact CD2-CD2 4.28Å; T99-L185 HydrophobicContact CG2-CD1 4.05Å; Y114-L185 HydrophobicContact CD1-CD1 4.28Å; Y114-L185 HydrophobicContact CE1-CD1 3.81Å; D158-L185 HydrophobicContact CB-CD1 3.74Å; D158-L185 HydrophobicContact CB-CG 4.23Å; V183-L185 HydrophobicContact CG1-CD2 3.8Å; V183-L185 PolarHBondContact O-N 2.91Å; L185-L190 HydrophobicContact CD2-CD1 3.95Å |
| 186 | L | 86.8 | Confident | 89.1 | Confident | 120 Ų | 120 | 66 Ų | 66 | 63% | 0.628 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 7.9 | 176.8 | -57.3 | 177.1 | 0 | 0 | 0 | 112.8 | N184 | N184-L186 PolarHBondContact O-N 3.49Å; N184-L186 VanDerWaalsContact O-N 3.15Å; N184-L186 PolarHBondContact OD1-N 3.42Å |
| 187 | S | 84.8 | Confident | 89.2 | Confident | 31 Ų | 31 | 57 Ų | 57 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | trans | -81.6 | 140.6 | 179.8 | 63.3 | 0 | 0 | 0 | 0 | 112 | N184 N189 | N184-S187 WeakPolarHBondContact O-CB 3.44Å; N184-S187 PolarHBondContact O-N 2.87Å; N184-S187 VanDerWaalsContact O-N 3.14Å; N184-S187 PolarHBondContact O-OG 2.87Å; S187-N189 PolarHBondContact O-N 3.27Å | ||
| 188 | K | 84.1 | Confident | 89.4 | Confident | 196 Ų | 196 | 49.5 Ų | 49.5 | 85% | 0.852 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -34.7 | 177.4 | -64.4 | -174.4 | 177.4 | -174.3 | 0 | 112.6 | ||
| 189 | N | 88.4 | Confident | 89.3 | Confident | 110 Ų | 110 | 47.7 Ų | 47.7 | 59% | 0.588 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 54.4 | -175.3 | -61.4 | -16.2 | 0 | 0 | 0 | 111.1 | S187 S191 R192 E193 | S187-N189 PolarHBondContact O-N 3.27Å; N189-S191 VanDerWaalsContact C-N 3.3Å; N189-S191 PolarHBondContact O-N 2.92Å; N189-R192 HydrophobicContact CB-CB 4.36Å; N189-R192 PolarHBondContact O-N 3.33Å; N189-R192 VanDerWaalsContact O-N 3.1Å; N189-E193 PolarHBondContact O-N 3.38Å |
| 190 | L | 89.3 | Confident | 89.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.4 | -39 | -173.1 | -178.7 | 58.6 | 0 | 0 | 0 | 113.5 | L117 L118 I123 V183 L185 R192 E193 I194 | L117-L190 HydrophobicContact CD2-CD2 3.95Å; L117-L190 HydrophobicContact CG-CD2 3.98Å; L118-L190 HydrophobicContact CD2-CD2 4.38Å; I123-L190 HydrophobicContact CD1-CG 4.05Å; V183-L190 HydrophobicContact CG1-CD1 4.33Å; L185-L190 HydrophobicContact CD2-CD1 3.95Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 3.4Å; L190-E193 PolarHBondContact O-N 2.86Å; L190-I194 HydrophobicContact CD1-CD1 3.73Å; L190-I194 HydrophobicContact CD1-CG1 4.15Å; L190-I194 HydrophobicContact CG-CD1 3.97Å; L190-I194 WeakPolarHBondContact O-CB 3.29Å; L190-I194 PolarHBondContact O-N 2.76Å |
| 191 | S | 89.9 | Confident | 89.2 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 175.8 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | N189 N195 | N189-S191 VanDerWaalsContact C-N 3.3Å; N189-S191 PolarHBondContact O-N 2.92Å; S191-N195 WeakPolarHBondContact O-CB 3.47Å; S191-N195 PolarHBondContact O-N 2.92Å; S191-N195 PolarHBondContact O-OD1 2.65Å |
| 192 | R | 90.3 | Very high | 89.1 | Confident | 163 Ų | 163 | 48.8 Ų | 48.8 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -67.2 | -51.1 | 176.8 | -179 | 177.3 | 169.5 | 174.8 | 3.1 | 112.2 | N189 L190 I194 N195 D196 | N189-R192 HydrophobicContact CB-CB 4.36Å; N189-R192 PolarHBondContact O-N 3.33Å; N189-R192 VanDerWaalsContact O-N 3.1Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 3.4Å; R192-I194 PolarHBondContact O-N 2.91Å; R192-N195 PolarHBondContact O-N 3.13Å; R192-D196 WeakPolarHBondContact CG-OD2 3.47Å; R192-D196 IonicContact CZ-OD2 3.04Å; R192-D196 IonicContact NE-OD2 2.66Å; R192-D196 PolarHBondContact NE-OD2 2.91Å; R192-D196 IonicContact NH2-OD2 2.73Å; R192-D196 WeakPolarHBondContact O-CB 3.31Å; R192-D196 VanDerWaalsContact O-CG 3.27Å; R192-D196 PolarHBondContact O-N 2.92Å |
| 193 | E | 90.6 | Very high | 89 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -33.1 | -179.6 | 165.2 | 84.3 | 166.1 | 0 | 0 | 111.4 | R81 V183 N184 N189 L190 C197 | R81-E193 IonicContact CZ-OE1 2.87Å; R81-E193 IonicContact CZ-OE2 3.68Å; R81-E193 VanDerWaalsContact NH1-CD 3.34Å; R81-E193 IonicContact NH1-OE1 3.17Å; R81-E193 PolarHBondContact NH1-OE1 2.81Å; R81-E193 VanDerWaalsContact NH1-OE1 3.15Å; R81-E193 IonicContact NH1-OE2 2.84Å; R81-E193 PolarHBondContact NH1-OE2 3.1Å; R81-E193 IonicContact NH2-OE1 2.7Å; R81-E193 PolarHBondContact NH2-OE1 3.13Å; R81-E193 IonicContact NH2-OE2 3.98Å; V183-E193 WeakPolarHBondContact CA-OE1 3.36Å; V183-E193 HydrophobicContact CG1-CG 3.89Å; N184-E193 PolarHBondContact N-OE1 3.42Å; N189-E193 PolarHBondContact O-N 3.38Å; L190-E193 PolarHBondContact O-N 2.86Å; E193-C197 WeakPolarHBondContact O-CB 3.37Å; E193-C197 PolarHBondContact O-N 3.5Å; E193-C197 PolarHBondContact O-SG 2.81Å |
| 194 | I | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.5 | -50 | 174 | -72.7 | 174.6 | 0 | 0 | 0 | 111.4 | L118 I123 I126 L156 V183 L190 R192 D196 C197 V198 | L118-I194 HydrophobicContact CD2-CD1 3.73Å; I123-I194 HydrophobicContact CD1-CB 4.4Å; I123-I194 HydrophobicContact CD1-CD1 3.8Å; I123-I194 HydrophobicContact CG2-CG2 4.03Å; I126-I194 HydrophobicContact CD1-CD1 4.12Å; I126-I194 HydrophobicContact CD1-CG2 4.31Å; L156-I194 HydrophobicContact CD1-CG2 4.21Å; V183-I194 HydrophobicContact CG1-CD1 4.29Å; V183-I194 HydrophobicContact CG1-CG1 3.69Å; V183-I194 HydrophobicContact CG2-CG1 4.44Å; L190-I194 HydrophobicContact CD1-CD1 3.73Å; L190-I194 HydrophobicContact CD1-CG1 4.15Å; L190-I194 HydrophobicContact CG-CD1 3.97Å; L190-I194 WeakPolarHBondContact O-CB 3.29Å; L190-I194 PolarHBondContact O-N 2.76Å; R192-I194 PolarHBondContact O-N 2.91Å; I194-D196 PolarHBondContact O-N 3.16Å; I194-C197 CarbonylContact O-C 3.59Å; I194-C197 WeakPolarHBondContact O-CA 3.28Å; I194-C197 WeakPolarHBondContact O-CB 3.45Å; I194-C197 PolarHBondContact O-N 3.45Å; I194-V198 HydrophobicContact CG2-CG2 4.1Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 2.75Å |
| 195 | N | 89.6 | Confident | 88.7 | Confident | 89 Ų | 89 | 48 Ų | 48 | 48% | 0.476 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | 178.7 | -68.8 | -2.9 | 0 | 0 | 0 | 111.9 | S191 R192 C197 V198 G199 | S191-N195 WeakPolarHBondContact O-CB 3.47Å; S191-N195 PolarHBondContact O-N 2.92Å; S191-N195 PolarHBondContact O-OD1 2.65Å; R192-N195 PolarHBondContact O-N 3.13Å; N195-C197 PolarHBondContact O-N 2.9Å; N195-V198 PolarHBondContact O-N 2.9Å; N195-V198 VanDerWaalsContact O-N 3.09Å; N195-G199 PolarHBondContact O-N 3.22Å |
| 196 | D | 89 | Confident | 88.7 | Confident | 58 Ų | 58 | 50 Ų | 50 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60 | -26.4 | 174.1 | -74.4 | -7.3 | 0 | 0 | 0 | 111.7 | T83 R192 I194 G200 | T83-D196 HydrophobicContact CG2-CB 3.88Å; R192-D196 WeakPolarHBondContact CG-OD2 3.47Å; R192-D196 IonicContact CZ-OD2 3.04Å; R192-D196 IonicContact NE-OD2 2.66Å; R192-D196 PolarHBondContact NE-OD2 2.91Å; R192-D196 IonicContact NH2-OD2 2.73Å; R192-D196 WeakPolarHBondContact O-CB 3.31Å; R192-D196 VanDerWaalsContact O-CG 3.27Å; R192-D196 PolarHBondContact O-N 2.92Å; I194-D196 PolarHBondContact O-N 3.16Å; D196-G200 WeakPolarHBondContact O-CA 3.12Å; D196-G200 PolarHBondContact O-N 3.32Å |
| 197 | C | 89.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -90.7 | -23.1 | 174.4 | -70.1 | 0 | 0 | 0 | 0 | 114.6 | R81 F154 L156 V183 E193 I194 N195 | R81-C197 VanDerWaalsContact CD-SG 3.52Å; R81-C197 VanDerWaalsContact CZ-SG 3.57Å; F154-C197 WeakPolarHBondContact CE1-O 3.4Å; F154-C197 WeakPolarHBondContact CZ-O 3.42Å; L156-C197 HydrophobicContact CD2-CB 4.27Å; V183-C197 HydrophobicContact CG2-CB 4.23Å; E193-C197 WeakPolarHBondContact O-CB 3.37Å; E193-C197 PolarHBondContact O-N 3.5Å; E193-C197 PolarHBondContact O-SG 2.81Å; I194-C197 CarbonylContact O-C 3.59Å; I194-C197 WeakPolarHBondContact O-CA 3.28Å; I194-C197 WeakPolarHBondContact O-CB 3.45Å; I194-C197 PolarHBondContact O-N 3.45Å; N195-C197 PolarHBondContact O-N 2.9Å |
| 198 | V | 89.2 | Confident | 88.5 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -87.5 | -44.4 | 179.8 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | R89 I95 T125 F154 L156 I194 N195 | R89-V198 WeakPolarHBondContact CD-O 3.45Å; R89-V198 PolarHBondContact NH1-O 3.1Å; I95-V198 HydrophobicContact CD1-CG1 3.9Å; I95-V198 HydrophobicContact CD1-CG2 3.93Å; T125-V198 HydrophobicContact CG2-CG1 4.49Å; F154-V198 HydrophobicContact CE1-CG2 4.27Å; L156-V198 HydrophobicContact CD1-CG2 4.32Å; I194-V198 HydrophobicContact CG2-CG2 4.1Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 2.75Å; N195-V198 PolarHBondContact O-N 2.9Å; N195-V198 VanDerWaalsContact O-N 3.09Å |
| 199 | G | 87 | Confident | 88.6 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -28.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N195 | N195-G199 PolarHBondContact O-N 3.22Š|
| 200 | G | 88.1 | Confident | 88.5 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -76.2 | 170.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L82 D196 | L82-G200 CarbonylContact O-C 3.44Å; L82-G200 WeakPolarHBondContact O-CA 3.5Å; D196-G200 WeakPolarHBondContact O-CA 3.12Å; D196-G200 PolarHBondContact O-N 3.32Å |
| 201 | T | 90.8 | Very high | 88.5 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 163 | -178.4 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | R81 L82 L84 I88 I214 R215 | R81-T201 WeakPolarHBondContact CA-O 3.5Å; L82-T201 PolarHBondContact N-O 3.19Å; L82-T201 PolarHBondContact O-N 2.95Å; L82-T201 PolarHBondContact O-OG1 3.36Å; L84-T201 HydrophobicContact CD1-CG2 3.49Å; L84-T201 VanDerWaalsContact CD1-CG2 3.49Å; L84-T201 HydrophobicContact CG-CG2 4.14Å; I88-T201 HydrophobicContact CD1-CG2 3.28Å; T201-I214 HydrophobicContact CG2-CG2 4.34Å; T201-R215 WeakPolarHBondContact CG2-O 3.19Å |
| 202 | V | 90.4 | Very high | 88.6 | Confident | 31 Ų | 31 | 45 Ų | 45 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 111.9 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | R79 V80 R81 V181 | R79-V202 HydrophobicContact CG-CG1 3.5Å; R79-V202 VanDerWaalsContact CG-CG1 3.5Å; V80-V202 WeakPolarHBondContact O-CA 3.4Å; R81-V202 HydrophobicContact CG-CG2 4.37Å; V181-V202 HydrophobicContact CB-CG2 4.42Å; V181-V202 HydrophobicContact CG1-CG2 3.83Å; V181-V202 HydrophobicContact CG2-CB 4.43Å; V181-V202 HydrophobicContact CG2-CG2 3.65Å |
| 203 | L | 90.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.1 | 170 | 167.9 | 61.2 | 0 | 0 | 0 | 109.3 | R79 V80 I205 I214 L237 | R79-L203 WeakPolarHBondContact CA-O 3.42Å; V80-L203 HydrophobicContact CB-CB 4.35Å; V80-L203 PolarHBondContact N-O 2.99Å; V80-L203 PolarHBondContact O-N 3.35Å; L203-I205 HydrophobicContact CD1-CG1 3.97Å; L203-I205 HydrophobicContact CD2-CD1 3.91Å; L203-I205 HydrophobicContact CD2-CG1 3.88Å; L203-I205 HydrophobicContact CG-CD1 4.27Å; L203-I205 HydrophobicContact CG-CG1 3.7Å; L203-I214 HydrophobicContact CB-CD1 3.92Å; L203-I214 HydrophobicContact CB-CG1 4Å; L203-I214 HydrophobicContact CD1-CD1 3.98Å; L203-I214 HydrophobicContact CD1-CG1 3.72Å; L203-I214 HydrophobicContact CD2-CD1 4.11Å; L203-I214 HydrophobicContact CG-CD1 4.2Å; L203-I214 HydrophobicContact CG-CG1 4.32Å; L203-L237 HydrophobicContact CD2-CD1 3.35Å |
| 204 | N | 88.7 | Confident | 88.8 | Confident | 60 Ų | 60 | 37.9 Ų | 37.9 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 105.2 | 171.9 | -63.7 | -67.2 | 0 | 0 | 0 | 109.4 | R79 S212 | R79-N204 VanDerWaalsContact CZ-OD1 3.24Å; R79-N204 PolarHBondContact NE-OD1 2.82Å; R79-N204 PolarHBondContact NH2-OD1 3.43Å; N204-S212 PolarHBondContact O-OG 3.31Å |
| 205 | I | 88.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 114 | 177.4 | -43.7 | 174.3 | 0 | 0 | 0 | 109.1 | L70 P74 E77 L78 L203 L241 | L70-I205 HydrophobicContact CD1-CD1 4.15Å; L70-I205 HydrophobicContact CD1-CG2 3.85Å; P74-I205 HydrophobicContact CG-CB 4.26Å; P74-I205 HydrophobicContact CG-CG2 3.62Å; E77-I205 WeakPolarHBondContact CA-O 3.47Å; E77-I205 WeakPolarHBondContact CG-O 3.21Å; L78-I205 HydrophobicContact CB-CB 4.25Å; L78-I205 HydrophobicContact CB-CD1 4.21Å; L78-I205 HydrophobicContact CB-CG1 4.43Å; L78-I205 HydrophobicContact CD1-CD1 4.42Å; L78-I205 PolarHBondContact N-O 2.63Å; L78-I205 PolarHBondContact O-N 2.91Å; L203-I205 HydrophobicContact CD1-CG1 3.97Å; L203-I205 HydrophobicContact CD2-CD1 3.91Å; L203-I205 HydrophobicContact CD2-CG1 3.88Å; L203-I205 HydrophobicContact CG-CD1 4.27Å; L203-I205 HydrophobicContact CG-CG1 3.7Å; I205-L241 HydrophobicContact CD1-CD1 3.93Å; I205-L241 HydrophobicContact CD1-CG 4.29Å |
| 206 | S | 85.7 | Confident | 89 | Confident | 52 Ų | 52 | 36.6 Ų | 36.6 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | trans | -71.7 | 145.7 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | I73 S208 | I73-S206 WeakPolarHBondContact CG2-O 3.44Å; S206-S208 PolarHBondContact O-N 3.04Å; S206-S208 VanDerWaalsContact O-N 3.15Å; S206-S208 PolarHBondContact OG-N 3.35Å | ||
| 207 | K | 85.8 | Confident | 89 | Confident | 152 Ų | 152 | 33.9 Ų | 33.9 | 66% | 0.661 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -9.4 | 169.3 | 68.1 | 179.6 | -178.6 | -177.1 | 0 | 114.5 | I73 | I73-K207 WeakPolarHBondContact CG2-O 3.48Š|
| 208 | S | 82.9 | Confident | 89 | Confident | 100 Ų | 100 | 35.7 Ų | 35.7 | 70% | 0.699 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | 1.7 | -168.3 | -164.8 | 0 | 0 | 0 | 0 | 114.3 | S206 | S206-S208 PolarHBondContact O-N 3.04Å; S206-S208 VanDerWaalsContact O-N 3.15Å; S206-S208 PolarHBondContact OG-N 3.35Å |
| 209 | G | 84.9 | Confident | 88.9 | Confident | 23 Ų | 23 | 36 Ų | 36 | 24% | 0.237 | 22% | 0.219 | C | C | . | . | trans | -148.9 | 141 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 210 | S | 86.3 | Confident | 88.8 | Confident | 46 Ų | 46 | 38 Ų | 38 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -79.4 | -23.3 | 176 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | V69 L70 | V69-S210 WeakPolarHBondContact CA-O 3.49Å; L70-S210 PolarHBondContact N-O 3.29Å; L70-S210 WeakPolarHBondContact O-CB 3.49Å |
| 211 | C | 90.3 | Very high | 88.8 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 137 | -179.9 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | M67 V68 V69 | M67-C211 WeakPolarHBondContact CG-SG 3.16Å; M67-C211 VanDerWaalsContact SD-SG 3.63Å; V68-C211 CarbonylContact O-C 3.57Å; V68-C211 WeakPolarHBondContact O-CA 3.38Å; V69-C211 HydrophobicContact CG2-CB 4.48Å |
| 212 | S | 91.8 | Very high | 88.9 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 148.5 | 175.8 | -64.3 | 0 | 0 | 0 | 0 | 110.1 | M67 V68 N204 | M67-S212 CarbonylContact C-O 3.54Å; M67-S212 WeakPolarHBondContact CA-O 3.35Å; V68-S212 PolarHBondContact N-O 3.15Å; V68-S212 PolarHBondContact O-N 3.2Å; N204-S212 PolarHBondContact O-OG 3.31Å |
| 213 | A | 91.9 | Very high | 89 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 41% | 0.413 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L66 | L66-A213 CarbonylContact O-C 3.53Å; L66-A213 VanDerWaalsContact O-CA 3.28Å; L66-A213 WeakPolarHBondContact O-CA 3.48Å |
| 214 | I | 92.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.5 | -177.8 | -40.5 | 172.9 | 0 | 0 | 0 | 107.8 | F65 L66 V68 L82 T201 L203 I216 V233 | F65-I214 CarbonylContact C-O 3.59Å; F65-I214 WeakPolarHBondContact CA-O 3.44Å; L66-I214 HydrophobicContact CB-CB 4.43Å; L66-I214 HydrophobicContact CD2-CD1 4.49Å; L66-I214 PolarHBondContact N-O 3.38Å; L66-I214 PolarHBondContact O-N 2.68Å; V68-I214 HydrophobicContact CG2-CD1 3.87Å; V68-I214 HydrophobicContact CG2-CG1 4.46Å; L82-I214 HydrophobicContact CD1-CD1 4.32Å; T201-I214 HydrophobicContact CG2-CG2 4.34Å; L203-I214 HydrophobicContact CB-CD1 3.92Å; L203-I214 HydrophobicContact CB-CG1 4Å; L203-I214 HydrophobicContact CD1-CD1 3.98Å; L203-I214 HydrophobicContact CD1-CG1 3.72Å; L203-I214 HydrophobicContact CD2-CD1 4.11Å; L203-I214 HydrophobicContact CG-CD1 4.2Å; L203-I214 HydrophobicContact CG-CG1 4.32Å; I214-I216 PolarHBondContact O-N 3.49Å; I214-V233 HydrophobicContact CD1-CG1 3.81Å |
| 215 | R | 91.8 | Very high | 89.4 | Confident | 63 Ų | 63 | 48 Ų | 48 | 24% | 0.238 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 129.5 | 168.2 | -164.5 | -169.8 | -176.6 | -165 | 3.6 | 107.1 | N63 L64 F65 I88 E93 T201 | N63-R215 HydrophobicContact CB-CG 4.43Å; N63-R215 VanDerWaalsContact OD1-CZ 3.26Å; N63-R215 PolarHBondContact OD1-NE 3.28Å; N63-R215 PolarHBondContact OD1-NH2 2.85Å; L64-R215 CarbonylContact O-C 3.48Å; F65-R215 HydrophobicContact CD1-CB 4.14Å; F65-R215 HydrophobicContact CE1-CB 3.93Å; F65-R215 HydrophobicContact CE1-CG 4.29Å; I88-R215 HydrophobicContact CD1-CG 4.46Å; I88-R215 VanDerWaalsContact CD1-O 3.25Å; I88-R215 WeakPolarHBondContact CD1-O 3.42Å; I88-R215 HydrophobicContact CG2-CG 3.9Å; E93-R215 IonicContact OE1-CZ 3.8Å; E93-R215 IonicContact OE1-NH1 3.63Å; E93-R215 PolarHBondContact OE1-NH1 2.86Å; E93-R215 IonicContact OE1-NH2 2.76Å; E93-R215 PolarHBondContact OE1-NH2 2.87Å; E93-R215 IonicContact OE2-NH1 2.68Å; T201-R215 WeakPolarHBondContact CG2-O 3.19Å |
| 216 | I | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -19.9 | 179.4 | -13.4 | 174.1 | 0 | 0 | 0 | 113.2 | L64 L66 I88 I214 N229 I230 V233 | L64-I216 HydrophobicContact CD2-CB 4.07Å; L64-I216 HydrophobicContact CD2-CD1 3.48Å; L64-I216 VanDerWaalsContact CD2-CD1 3.48Å; L64-I216 HydrophobicContact CD2-CG1 3.74Å; L64-I216 PolarHBondContact O-N 2.97Å; L66-I216 HydrophobicContact CB-CD1 3.53Å; L66-I216 HydrophobicContact CB-CG1 3.84Å; L66-I216 HydrophobicContact CD1-CD1 4.11Å; L66-I216 HydrophobicContact CG-CD1 4.36Å; I88-I216 WeakPolarHBondContact CD1-O 3.49Å; I88-I216 WeakPolarHBondContact CG1-O 3.43Å; I214-I216 PolarHBondContact O-N 3.49Å; I216-N229 HydrophobicContact CG2-CB 3.99Å; I216-N229 PolarHBondContact O-ND2 2.78Å; I216-N229 VanDerWaalsContact O-ND2 3.14Å; I216-I230 HydrophobicContact CD1-CD1 4.04Å; I216-I230 HydrophobicContact CD1-CG1 3.54Å; I216-I230 HydrophobicContact CG2-CG1 4.04Å; I216-V233 HydrophobicContact CG2-CG2 4.03Å |
| 217 | G | 90.8 | Very high | 90 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.8 | -172 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L64 M221 | L64-G217 PolarHBondContact N-O 3Å; G217-M221 WeakPolarHBondContact CA-SD 3.33Å |
| 218 | H | 89.1 | Confident | 90.4 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 20% | 0.199 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 158.5 | 173.9 | 64.6 | 108.3 | 0 | 0 | 0 | 109.7 | S61 E62 I88 G220 M221 | S61-H218 WeakPolarHBondContact CB-ND1 3.5Å; S61-H218 WeakPolarHBondContact OG-CB 3.43Å; S61-H218 PolarHBondContact OG-ND1 3.5Å; E62-H218 WeakPolarHBondContact O-CA 3.45Å; I88-H218 PolarHBondContact O-CD2 3.38Å; H218-G220 PolarHBondContact ND1-N 2.89Å; H218-G220 PolarHBondContact O-N 2.78Å; H218-M221 WeakPolarHBondContact CD2-CG 3.28Å; H218-M221 WeakPolarHBondContact NE2-CG 3.36Å; H218-M221 PolarHBondContact O-N 3.12Å |
| 219 | I | 86.7 | Confident | 91 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -8.5 | -175.3 | -100.8 | 62.9 | 0 | 0 | 0 | 114.5 | L44 C47 E62 L64 T255 | L44-I219 HydrophobicContact CD1-CB 4.49Å; L44-I219 HydrophobicContact CD1-CG1 4.11Å; L44-I219 HydrophobicContact CD1-CG2 4.2Å; C47-I219 HydrophobicContact CB-CG1 4.03Å; E62-I219 HydrophobicContact CB-CD1 4.3Å; E62-I219 HydrophobicContact CB-CG1 4.47Å; E62-I219 WeakPolarHBondContact O-CD1 3.37Å; E62-I219 PolarHBondContact O-N 3.37Å; L64-I219 HydrophobicContact CB-CD1 4.29Å; L64-I219 HydrophobicContact CD1-CD1 4.49Å; I219-T255 HydrophobicContact CD1-CG2 3.64Å |
| 220 | G | 84.7 | Confident | 91.4 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 61% | 0.608 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -5.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H218 | H218-G220 PolarHBondContact ND1-N 2.89Å; H218-G220 PolarHBondContact O-N 2.78Å |
| 221 | M | 89.3 | Confident | 91.7 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -78.7 | 155.5 | 176.6 | -57.4 | -178.8 | 80.1 | 0 | 0 | 111.6 | H86 S87 G217 H218 H225 I226 | H86-M221 HydrophobicContact CB-CE 3.78Å; S87-M221 VanDerWaalsContact O-CE 3.24Å; S87-M221 WeakPolarHBondContact O-CE 3.36Å; G217-M221 WeakPolarHBondContact CA-SD 3.33Å; H218-M221 WeakPolarHBondContact CD2-CG 3.28Å; H218-M221 WeakPolarHBondContact NE2-CG 3.36Å; H218-M221 PolarHBondContact O-N 3.12Å; M221-H225 HydrophobicContact CE-CB 4.35Å; M221-I226 HydrophobicContact CB-CD1 4Å; M221-I226 HydrophobicContact CB-CG1 3.85Å; M221-I226 HydrophobicContact SD-CG1 4.42Å |
| 222 | Q | 91.9 | Very high | 91.9 | Very high | 120 Ų | 120 | 36.1 Ų | 36.1 | 56% | 0.561 | 20% | 0.201 | S | C | * | . | trans | -63.9 | 147.2 | 166.8 | -69.5 | -179.8 | -12.8 | 0 | 0 | 111 | E224 H225 I226 | Q222-E224 VanDerWaalsContact C-N 3.26Å; Q222-E224 PolarHBondContact O-N 3.31Å; Q222-H225 PolarHBondContact O-N 3.18Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 2.86Å; Q222-I226 VanDerWaalsContact O-N 3.14Å | ||
| 223 | I | 92.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 18% | 0.179 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | -176.6 | -67 | 143.3 | 0 | 0 | 0 | 110.2 | R37 V40 D41 L44 I226 I227 | R37-I223 HydrophobicContact CG-CG2 4.35Å; V40-I223 HydrophobicContact CG1-CB 4.5Å; V40-I223 HydrophobicContact CG1-CG1 4.37Å; V40-I223 HydrophobicContact CG1-CG2 4.03Å; D41-I223 VanDerWaalsContact OD1-CD1 3.24Å; D41-I223 WeakPolarHBondContact OD1-CD1 3.29Å; D41-I223 WeakPolarHBondContact OD1-CG2 3.41Å; L44-I223 HydrophobicContact CD2-CD1 4.06Å; L44-I223 HydrophobicContact CD2-CG1 3.9Å; I223-I226 WeakPolarHBondContact O-CB 3.4Å; I223-I226 PolarHBondContact O-N 3.19Å; I223-I227 HydrophobicContact CG2-CD1 3.77Å; I223-I227 HydrophobicContact CG2-CG1 4.45Å; I223-I227 VanDerWaalsContact O-CG1 3.29Å; I223-I227 WeakPolarHBondContact O-CG1 3.43Å; I223-I227 PolarHBondContact O-N 3.01Å |
| 224 | E | 93.7 | Very high | 91.8 | Very high | 77 Ų | 77 | 33.8 Ų | 33.8 | 36% | 0.36 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 178.8 | -67.8 | 62.3 | -142.1 | 0 | 0 | 110.8 | R37 Q222 I226 I227 E228 | R37-E224 IonicContact CZ-OE1 2.57Å; R37-E224 IonicContact NE-OE1 3.73Å; R37-E224 IonicContact NH2-OE1 2.77Å; R37-E224 PolarHBondContact NH2-OE1 3.37Å; Q222-E224 VanDerWaalsContact C-N 3.26Å; Q222-E224 PolarHBondContact O-N 3.31Å; E224-I226 VanDerWaalsContact C-N 3.32Å; E224-I226 PolarHBondContact O-N 3.27Å; E224-I227 PolarHBondContact O-N 2.7Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.42Å |
| 225 | H | 93.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 40.1 Ų | 40.1 | 29% | 0.292 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.9 | -36.2 | 175.7 | -63.8 | 177.6 | 0 | 0 | 0 | 112.5 | H86 M221 Q222 N229 | H86-H225 HydrophobicContact CB-CB 4.21Å; H86-H225 AromaticContact CD2-CG 3.83Å; H86-H225 AromaticContact CE1-CD2 3.27Å; H86-H225 PolarHBondContact CE1-CD2 2.85Å; H86-H225 AromaticContact CE1-CE1 3.88Å; H86-H225 AromaticContact CE1-CG 3.57Å; H86-H225 AromaticContact CE1-ND1 3.93Å; H86-H225 AromaticContact CE1-NE2 3.5Å; H86-H225 PolarHBondContact CE1-NE2 2.92Å; H86-H225 AromaticContact CG-CG 3.77Å; H86-H225 AromaticContact ND1-CD2 3.81Å; H86-H225 AromaticContact ND1-CE1 3.93Å; H86-H225 AromaticContact ND1-CG 3.63Å; H86-H225 AromaticContact ND1-ND1 3.71Å; H86-H225 AromaticContact ND1-NE2 3.99Å; H86-H225 AromaticContact NE2-CD2 3.41Å; H86-H225 PolarHBondContact NE2-CD2 3.02Å; H86-H225 AromaticContact NE2-CG 3.71Å; M221-H225 HydrophobicContact CE-CB 4.35Å; Q222-H225 PolarHBondContact O-N 3.18Å; H225-N229 WeakPolarHBondContact O-CB 3.32Å; H225-N229 PolarHBondContact O-N 3.2Å |
| 226 | I | 93.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 174.2 | -64.7 | 162.8 | 0 | 0 | 0 | 110.5 | V40 L64 M221 Q222 I223 E224 N229 I230 | V40-I226 HydrophobicContact CG1-CB 4.4Å; V40-I226 HydrophobicContact CG1-CD1 4.17Å; V40-I226 HydrophobicContact CG1-CG2 4.09Å; V40-I226 HydrophobicContact CG2-CG2 3.9Å; L64-I226 HydrophobicContact CD1-CD1 4.4Å; L64-I226 HydrophobicContact CD1-CG2 4.19Å; L64-I226 HydrophobicContact CD2-CG2 4.03Å; M221-I226 HydrophobicContact CB-CD1 4Å; M221-I226 HydrophobicContact CB-CG1 3.85Å; M221-I226 HydrophobicContact SD-CG1 4.42Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 2.86Å; Q222-I226 VanDerWaalsContact O-N 3.14Å; I223-I226 WeakPolarHBondContact O-CB 3.4Å; I223-I226 PolarHBondContact O-N 3.19Å; E224-I226 VanDerWaalsContact C-N 3.32Å; E224-I226 PolarHBondContact O-N 3.27Å; I226-N229 PolarHBondContact O-N 3.06Å; I226-I230 HydrophobicContact CG2-CD1 3.87Å; I226-I230 HydrophobicContact CG2-CG1 4.45Å; I226-I230 WeakPolarHBondContact O-CB 3.3Å; I226-I230 VanDerWaalsContact O-CG1 3.25Å; I226-I230 WeakPolarHBondContact O-CG1 3.45Å; I226-I230 PolarHBondContact O-N 2.88Å |
| 227 | I | 94.1 | Very high | 91.4 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 11% | 0.108 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 176.7 | -66.4 | 159.2 | 0 | 0 | 0 | 110.5 | V36 R37 I223 E224 I230 V231 | V36-I227 HydrophobicContact CG1-CG1 4.04Å; V36-I227 HydrophobicContact CG1-CG2 4.45Å; R37-I227 HydrophobicContact CB-CD1 3.76Å; R37-I227 HydrophobicContact CG-CD1 3.94Å; I223-I227 HydrophobicContact CG2-CD1 3.77Å; I223-I227 HydrophobicContact CG2-CG1 4.45Å; I223-I227 VanDerWaalsContact O-CG1 3.29Å; I223-I227 WeakPolarHBondContact O-CG1 3.43Å; I223-I227 PolarHBondContact O-N 3.01Å; E224-I227 PolarHBondContact O-N 2.7Å; I227-I230 WeakPolarHBondContact O-CB 3.48Å; I227-I230 PolarHBondContact O-N 3.11Å; I227-V231 WeakPolarHBondContact O-CG2 3.46Å; I227-V231 PolarHBondContact O-N 2.93Å |
| 228 | E | 94.1 | Very high | 91.1 | Very high | 102 Ų | 102 | 39.4 Ų | 39.4 | 48% | 0.477 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.5 | -43.5 | 177.2 | -72.4 | -175.7 | 169.7 | 0 | 0 | 112.4 | P85 H86 E224 I230 V231 A232 | P85-E228 HydrophobicContact CG-CB 4.23Å; H86-E228 IonicContact CD2-OE2 3.78Å; H86-E228 IonicContact CE1-OE2 3.82Å; H86-E228 IonicContact NE2-OE2 3.97Å; H86-E228 PolarHBondContact NE2-OE2 3.41Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.42Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.86Å; E228-V231 PolarHBondContact O-N 3.33Å; E228-A232 WeakPolarHBondContact O-CB 3.47Å; E228-A232 PolarHBondContact O-N 2.89Å |
| 229 | N | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 172.3 | -81.2 | -0.8 | 0 | 0 | 0 | 111.8 | L84 P85 H86 I216 H225 I226 A232 V233 | L84-N229 HydrophobicContact CD2-CB 4.32Å; P85-N229 VanDerWaalsContact CD-OD1 3.25Å; P85-N229 WeakPolarHBondContact CD-OD1 3.43Å; P85-N229 WeakPolarHBondContact CG-OD1 3.34Å; H86-N229 PolarHBondContact N-OD1 3Å; H86-N229 PolarHBondContact O-ND2 3.17Å; H86-N229 PolarHBondContact O-OD1 2.96Å; I216-N229 HydrophobicContact CG2-CB 3.99Å; I216-N229 PolarHBondContact O-ND2 2.78Å; I216-N229 VanDerWaalsContact O-ND2 3.14Å; H225-N229 WeakPolarHBondContact O-CB 3.32Å; H225-N229 PolarHBondContact O-N 3.2Å; I226-N229 PolarHBondContact O-N 3.06Å; N229-A232 PolarHBondContact O-N 3.41Å; N229-V233 WeakPolarHBondContact O-CB 3.28Å; N229-V233 WeakPolarHBondContact O-CG2 3.24Å; N229-V233 PolarHBondContact O-N 2.87Å |
| 230 | I | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 174.4 | -72.7 | 167.1 | 0 | 0 | 0 | 110.8 | L31 V36 V40 I216 I226 I227 E228 T234 V253 I263 | L31-I230 HydrophobicContact CD2-CG2 3.74Å; V36-I230 HydrophobicContact CG1-CB 4.29Å; V36-I230 HydrophobicContact CG1-CD1 3.53Å; V36-I230 HydrophobicContact CG1-CG1 4.49Å; V36-I230 HydrophobicContact CG1-CG2 3.98Å; V36-I230 HydrophobicContact CG2-CG2 4.25Å; V40-I230 HydrophobicContact CG2-CD1 3.98Å; I216-I230 HydrophobicContact CD1-CD1 4.04Å; I216-I230 HydrophobicContact CD1-CG1 3.54Å; I216-I230 HydrophobicContact CG2-CG1 4.04Å; I226-I230 HydrophobicContact CG2-CD1 3.87Å; I226-I230 HydrophobicContact CG2-CG1 4.45Å; I226-I230 WeakPolarHBondContact O-CB 3.3Å; I226-I230 VanDerWaalsContact O-CG1 3.25Å; I226-I230 WeakPolarHBondContact O-CG1 3.45Å; I226-I230 PolarHBondContact O-N 2.88Å; I227-I230 WeakPolarHBondContact O-CB 3.48Å; I227-I230 PolarHBondContact O-N 3.11Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.86Å; I230-T234 WeakPolarHBondContact O-CB 3.45Å; I230-T234 PolarHBondContact O-N 2.89Å; I230-T234 PolarHBondContact O-OG1 3.45Å; I230-V253 HydrophobicContact CD1-CG2 4.15Å; I230-I263 HydrophobicContact CG2-CD1 3.98Å |
| 231 | V | 93.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 178.1 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | I227 E228 T234 K235 | I227-V231 WeakPolarHBondContact O-CG2 3.46Å; I227-V231 PolarHBondContact O-N 2.93Å; E228-V231 PolarHBondContact O-N 3.33Å; V231-T234 WeakPolarHBondContact O-CB 3.21Å; V231-T234 PolarHBondContact O-N 3.05Å; V231-K235 HydrophobicContact CG1-CD 4.33Å; V231-K235 WeakPolarHBondContact O-CG 3.4Å; V231-K235 PolarHBondContact O-N 3.48Å |
| 232 | A | 92.9 | Very high | 90 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -48.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L84 P85 E228 N229 T234 K235 G236 | L84-A232 HydrophobicContact CD2-CB 4.49Å; P85-A232 HydrophobicContact CG-CB 4.33Å; E228-A232 WeakPolarHBondContact O-CB 3.47Å; E228-A232 PolarHBondContact O-N 2.89Å; N229-A232 PolarHBondContact O-N 3.41Å; A232-T234 VanDerWaalsContact C-N 3.27Å; A232-T234 PolarHBondContact O-N 2.82Å; A232-K235 PolarHBondContact O-N 3.27Å; A232-G236 PolarHBondContact O-N 3.49Å |
| 233 | V | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.9 | -45.6 | 171.9 | 166.5 | 0 | 0 | 0 | 0 | 110.5 | L66 L82 L84 I214 I216 N229 G236 L237 | L66-V233 HydrophobicContact CD2-CG1 3.57Å; L82-V233 HydrophobicContact CD1-CB 4.44Å; L82-V233 HydrophobicContact CD1-CG1 3.93Å; L82-V233 HydrophobicContact CD1-CG2 4.42Å; L84-V233 HydrophobicContact CD2-CG2 3.53Å; I214-V233 HydrophobicContact CD1-CG1 3.81Å; I216-V233 HydrophobicContact CG2-CG2 4.03Å; N229-V233 WeakPolarHBondContact O-CB 3.28Å; N229-V233 WeakPolarHBondContact O-CG2 3.24Å; N229-V233 PolarHBondContact O-N 2.87Å; V233-G236 PolarHBondContact O-N 2.83Å; V233-L237 WeakPolarHBondContact O-CB 3.41Å; V233-L237 PolarHBondContact O-N 3.4Å |
| 234 | T | 90.6 | Very high | 88.7 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | -178.4 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | L31 I230 V231 A232 S238 W245 | L31-T234 HydrophobicContact CB-CG2 4.2Å; L31-T234 HydrophobicContact CD2-CG2 4.08Å; I230-T234 WeakPolarHBondContact O-CB 3.45Å; I230-T234 PolarHBondContact O-N 2.89Å; I230-T234 PolarHBondContact O-OG1 3.45Å; V231-T234 WeakPolarHBondContact O-CB 3.21Å; V231-T234 PolarHBondContact O-N 3.05Å; A232-T234 VanDerWaalsContact C-N 3.27Å; A232-T234 PolarHBondContact O-N 2.82Å; T234-S238 PolarHBondContact O-N 2.96Å; T234-W245 HydrophobicContact CG2-CE3 4.5Å; T234-W245 HydrophobicContact CG2-CH2 3.43Å; T234-W245 VanDerWaalsContact CG2-CH2 3.43Å; T234-W245 HydrophobicContact CG2-CZ2 4.38Å; T234-W245 HydrophobicContact CG2-CZ3 3.5Å |
| 235 | K | 90.4 | Very high | 88.2 | Confident | 135 Ų | 135 | 48 Ų | 48 | 59% | 0.587 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.9 | -55.1 | 173.8 | -73.8 | 173.7 | 176.5 | -177.7 | 0 | 111.2 | V231 A232 L237 S238 E239 | V231-K235 HydrophobicContact CG1-CD 4.33Å; V231-K235 WeakPolarHBondContact O-CG 3.4Å; V231-K235 PolarHBondContact O-N 3.48Å; A232-K235 PolarHBondContact O-N 3.27Å; K235-L237 VanDerWaalsContact C-N 3.28Å; K235-L237 PolarHBondContact O-N 3.38Å; K235-S238 WeakPolarHBondContact O-CB 3.15Å; K235-S238 PolarHBondContact O-N 3.1Å; K235-S238 PolarHBondContact O-OG 3.04Å; K235-E239 PolarHBondContact O-N 3.21Å |
| 236 | G | 88.8 | Confident | 87.6 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -30.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A232 V233 E239 K240 | A232-G236 PolarHBondContact O-N 3.49Å; V233-G236 PolarHBondContact O-N 2.83Å; G236-E239 PolarHBondContact O-N 3.3Å; G236-K240 WeakPolarHBondContact O-CB 3.17Å; G236-K240 WeakPolarHBondContact O-CG 3.4Å; G236-K240 PolarHBondContact O-N 2.93Å |
| 237 | L | 87.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | 171.2 | -172.3 | 75.8 | 0 | 0 | 0 | 110.9 | V68 L203 V233 K235 E239 K240 L241 W245 V248 L251 | V68-L237 HydrophobicContact CG1-CD1 4.41Å; V68-L237 HydrophobicContact CG1-CD2 3.94Å; V68-L237 HydrophobicContact CG2-CD2 4.18Å; L203-L237 HydrophobicContact CD2-CD1 3.35Å; V233-L237 WeakPolarHBondContact O-CB 3.41Å; V233-L237 PolarHBondContact O-N 3.4Å; K235-L237 VanDerWaalsContact C-N 3.28Å; K235-L237 PolarHBondContact O-N 3.38Å; L237-E239 VanDerWaalsContact C-N 3.26Å; L237-E239 PolarHBondContact O-N 3.1Å; L237-K240 PolarHBondContact O-N 3.02Å; L237-L241 HydrophobicContact CD1-CD1 3.51Å; L237-L241 HydrophobicContact CD1-CD2 4.15Å; L237-L241 HydrophobicContact CD1-CG 4.5Å; L237-L241 HydrophobicContact CG-CD1 4.05Å; L237-L241 HydrophobicContact CG-CD2 4.26Å; L237-L241 WeakPolarHBondContact O-CD1 3.16Å; L237-L241 PolarHBondContact O-N 3.44Å; L237-W245 HydrophobicContact CD2-CZ3 4.39Å; L237-V248 HydrophobicContact CD2-CG2 3.71Å; L237-V248 HydrophobicContact CG-CG2 4.35Å; L237-L251 HydrophobicContact CD2-CD2 4.38Å |
| 238 | S | 85.4 | Confident | 86.9 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -27 | 179.9 | 79.1 | 0 | 0 | 0 | 0 | 114.3 | T234 K235 K244 | T234-S238 PolarHBondContact O-N 2.96Å; K235-S238 WeakPolarHBondContact O-CB 3.15Å; K235-S238 PolarHBondContact O-N 3.1Å; K235-S238 PolarHBondContact O-OG 3.04Å; S238-K244 WeakPolarHBondContact O-CA 3.39Å; S238-K244 WeakPolarHBondContact O-CB 3.39Å |
| 239 | E | 86.7 | Confident | 86.6 | Confident | 125 Ų | 125 | 50.2 Ų | 50.2 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -82.1 | -36.8 | 177.3 | -66.8 | 172.4 | -164.2 | 0 | 0 | 113 | K235 G236 L237 | K235-E239 PolarHBondContact O-N 3.21Å; G236-E239 PolarHBondContact O-N 3.3Å; L237-E239 VanDerWaalsContact C-N 3.26Å; L237-E239 PolarHBondContact O-N 3.1Å |
| 240 | K | 83.9 | Confident | 86.5 | Confident | 108 Ų | 108 | 51.9 Ų | 51.9 | 47% | 0.47 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -99.7 | -3.3 | -163.9 | -57.3 | -66.8 | -175.1 | -86 | 0 | 113.5 | V80 G236 L237 | V80-K240 HydrophobicContact CG1-CB 3.55Å; V80-K240 HydrophobicContact CG1-CG 3.83Å; V80-K240 HydrophobicContact CG2-CB 4.2Å; G236-K240 WeakPolarHBondContact O-CB 3.17Å; G236-K240 WeakPolarHBondContact O-CG 3.4Å; G236-K240 PolarHBondContact O-N 2.93Å; L237-K240 PolarHBondContact O-N 3.02Å |
| 241 | L | 83.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -91.8 | 149.6 | 175.8 | -95.7 | 64.7 | 0 | 0 | 0 | 112.9 | L70 I205 L237 E243 K244 V248 | L70-L241 HydrophobicContact CD1-CD2 3.96Å; L70-L241 HydrophobicContact CD2-CD2 3.47Å; L70-L241 VanDerWaalsContact CD2-CD2 3.47Å; L70-L241 HydrophobicContact CG-CD2 4.38Å; I205-L241 HydrophobicContact CD1-CD1 3.93Å; I205-L241 HydrophobicContact CD1-CG 4.29Å; L237-L241 HydrophobicContact CD1-CD1 3.51Å; L237-L241 HydrophobicContact CD1-CD2 4.15Å; L237-L241 HydrophobicContact CD1-CG 4.5Å; L237-L241 HydrophobicContact CG-CD1 4.05Å; L237-L241 HydrophobicContact CG-CD2 4.26Å; L237-L241 WeakPolarHBondContact O-CD1 3.16Å; L237-L241 PolarHBondContact O-N 3.44Å; L241-E243 VanDerWaalsContact C-N 3.25Å; L241-E243 PolarHBondContact O-N 3.31Å; L241-K244 PolarHBondContact O-N 2.89Å; L241-K244 VanDerWaalsContact O-N 3.1Å; L241-V248 HydrophobicContact CD2-CG2 4.39Å |
| 242 | P | 72.5 | Confident | 86.5 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 56% | 0.558 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.9 | -170.3 | 28 | -36.2 | 0 | 0 | 0 | 114.3 | ||
| 243 | E | 74.5 | Confident | 86.6 | Confident | 42 Ų | 42 | 51 Ų | 51 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 38.5 | 174.5 | -44.5 | -177.9 | 146.6 | 0 | 0 | 108.7 | K72 L241 W245 E246 S247 M279 | K72-E243 WeakPolarHBondContact CD-OE1 3.35Å; K72-E243 WeakPolarHBondContact CD-OE2 3.42Å; K72-E243 IonicContact NZ-OE1 2.62Å; K72-E243 PolarHBondContact NZ-OE1 2.95Å; K72-E243 IonicContact NZ-OE2 2.65Å; L241-E243 VanDerWaalsContact C-N 3.25Å; L241-E243 PolarHBondContact O-N 3.31Å; E243-W245 PolarHBondContact O-N 2.87Å; E243-E246 PolarHBondContact O-N 2.8Å; E243-S247 VanDerWaalsContact C-OG 3.22Å; E243-S247 WeakPolarHBondContact CA-OG 3.47Å; E243-S247 VanDerWaalsContact CB-OG 3.27Å; E243-S247 WeakPolarHBondContact CB-OG 3.23Å; E243-S247 PolarHBondContact N-OG 3.18Å; E243-S247 PolarHBondContact O-N 3.15Å; E243-S247 VanDerWaalsContact O-N 3.13Å; E243-S247 PolarHBondContact O-OG 3.07Å; E243-M279 WeakPolarHBondContact OE1-CE 3.47Å |
| 244 | K | 83.8 | Confident | 86.6 | Confident | 149 Ų | 149 | 53.7 Ų | 53.7 | 65% | 0.648 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | 44.6 | -132.2 | 177.8 | -59.8 | -174.5 | -179.9 | -178.1 | 0 | 113.3 | S238 L241 S247 | S238-K244 WeakPolarHBondContact O-CA 3.39Å; S238-K244 WeakPolarHBondContact O-CB 3.39Å; L241-K244 PolarHBondContact O-N 2.89Å; L241-K244 VanDerWaalsContact O-N 3.1Å; K244-S247 WeakPolarHBondContact O-CB 3.47Å; K244-S247 PolarHBondContact O-OG 2.72Å |
| 245 | W | 83 | Confident | 86.6 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 16% | 0.163 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -68.4 | -33.2 | 178.7 | -170.5 | -121.9 | 0 | 0 | 0 | 113.4 | K29 T234 L237 E243 S247 V248 L251 F264 | K29-W245 PolarHBondContact O-NE1 3.29Å; T234-W245 HydrophobicContact CG2-CE3 4.5Å; T234-W245 HydrophobicContact CG2-CH2 3.43Å; T234-W245 VanDerWaalsContact CG2-CH2 3.43Å; T234-W245 HydrophobicContact CG2-CZ2 4.38Å; T234-W245 HydrophobicContact CG2-CZ3 3.5Å; L237-W245 HydrophobicContact CD2-CZ3 4.39Å; E243-W245 PolarHBondContact O-N 2.87Å; W245-S247 PolarHBondContact O-N 2.84Å; W245-S247 VanDerWaalsContact O-N 3.1Å; W245-V248 HydrophobicContact CE3-CB 4.42Å; W245-V248 HydrophobicContact CE3-CG2 3.95Å; W245-V248 HydrophobicContact CH2-CG1 4.49Å; W245-V248 HydrophobicContact CZ3-CB 4.41Å; W245-V248 HydrophobicContact CZ3-CG1 4.46Å; W245-V248 HydrophobicContact CZ3-CG2 4.03Å; W245-V248 WeakPolarHBondContact O-CB 3.44Å; W245-V248 PolarHBondContact O-N 3.21Å; W245-L251 HydrophobicContact CH2-CD1 3.85Å; W245-L251 HydrophobicContact CZ3-CD1 4.48Å; W245-F264 AromaticContact CE2-CZ 3.99Å; W245-F264 HydrophobicContact CZ2-CD1 4.14Å; W245-F264 HydrophobicContact CZ2-CD2 4.19Å; W245-F264 AromaticContact CZ2-CE1 3.87Å; W245-F264 HydrophobicContact CZ2-CE1 3.87Å; W245-F264 AromaticContact CZ2-CE2 3.92Å; W245-F264 HydrophobicContact CZ2-CE2 3.92Å; W245-F264 HydrophobicContact CZ2-CG 4.29Å; W245-F264 AromaticContact CZ2-CZ 3.75Å; W245-F264 HydrophobicContact CZ2-CZ 3.75Å; W245-F264 AromaticContact NE1-CZ 3.84Å |
| 246 | E | 80.6 | Confident | 86.4 | Confident | 163 Ų | 163 | 51.8 Ų | 51.8 | 76% | 0.762 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -63.2 | -18.6 | 179.6 | -63.7 | 163.9 | -162.5 | 0 | 0 | 112.6 | E243 V248 | E243-E246 PolarHBondContact O-N 2.8Å; E246-V248 PolarHBondContact O-N 3.21Å |
| 247 | S | 83.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -64.5 | -23.9 | 169.7 | -61.2 | 0 | 0 | 0 | 0 | 113.9 | L70 W71 E243 K244 W245 | L70-S247 CarbonylContact C-O 3.52Å; L70-S247 VanDerWaalsContact CA-O 3.23Å; L70-S247 WeakPolarHBondContact CA-O 3.43Å; L70-S247 WeakPolarHBondContact CD2-O 3.43Å; W71-S247 PolarHBondContact N-O 2.98Å; E243-S247 VanDerWaalsContact C-OG 3.22Å; E243-S247 WeakPolarHBondContact CA-OG 3.47Å; E243-S247 VanDerWaalsContact CB-OG 3.27Å; E243-S247 WeakPolarHBondContact CB-OG 3.23Å; E243-S247 PolarHBondContact N-OG 3.18Å; E243-S247 PolarHBondContact O-N 3.15Å; E243-S247 VanDerWaalsContact O-N 3.13Å; E243-S247 PolarHBondContact O-OG 3.07Å; K244-S247 WeakPolarHBondContact O-CB 3.47Å; K244-S247 PolarHBondContact O-OG 2.72Å; W245-S247 PolarHBondContact O-N 2.84Å; W245-S247 VanDerWaalsContact O-N 3.1Å |
| 248 | V | 88.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.5 | -170.7 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | L70 L237 L241 W245 E246 L251 F264 S266 | L70-V248 HydrophobicContact CD2-CG2 4.24Å; L237-V248 HydrophobicContact CD2-CG2 3.71Å; L237-V248 HydrophobicContact CG-CG2 4.35Å; L241-V248 HydrophobicContact CD2-CG2 4.39Å; W245-V248 HydrophobicContact CE3-CB 4.42Å; W245-V248 HydrophobicContact CE3-CG2 3.95Å; W245-V248 HydrophobicContact CH2-CG1 4.49Å; W245-V248 HydrophobicContact CZ3-CB 4.41Å; W245-V248 HydrophobicContact CZ3-CG1 4.46Å; W245-V248 HydrophobicContact CZ3-CG2 4.03Å; W245-V248 WeakPolarHBondContact O-CB 3.44Å; W245-V248 PolarHBondContact O-N 3.21Å; E246-V248 PolarHBondContact O-N 3.21Å; V248-L251 HydrophobicContact CG1-CD2 3.66Å; V248-L251 HydrophobicContact CG1-CG 3.84Å; V248-F264 HydrophobicContact CG1-CD1 4.24Å; V248-F264 HydrophobicContact CG1-CE1 4.25Å; V248-S266 PolarHBondContact O-OG 2.91Å |
| 249 | K | 88.5 | Confident | 86.4 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -54.3 | 178 | 177.4 | 172.2 | -176.5 | 167.9 | 0 | 112.3 | V69 W71 S266 | V69-K249 HydrophobicContact CG1-CB 4.46Å; V69-K249 WeakPolarHBondContact O-CA 3.5Å; V69-K249 WeakPolarHBondContact O-CB 3.28Å; V69-K249 PolarHBondContact O-N 3.1Å; W71-K249 HydrophobicContact CD2-CB 3.84Å; W71-K249 HydrophobicContact CD2-CD 3.83Å; W71-K249 HydrophobicContact CD2-CG 3.9Å; W71-K249 HydrophobicContact CE3-CD 3.74Å; W71-K249 HydrophobicContact CE3-CG 4.34Å; W71-K249 HydrophobicContact CG-CB 3.82Å; W71-K249 HydrophobicContact CG-CG 4.41Å; W71-K249 HydrophobicContact CH2-CD 3.7Å; W71-K249 HydrophobicContact CH2-CG 4.17Å; W71-K249 HydrophobicContact CZ2-CB 4.38Å; W71-K249 HydrophobicContact CZ2-CD 3.72Å; W71-K249 HydrophobicContact CZ2-CG 3.63Å; W71-K249 HydrophobicContact CZ3-CD 3.72Å; W71-K249 HydrophobicContact CZ3-CG 4.49Å; K249-S266 WeakPolarHBondContact CA-OG 3.05Å; K249-S266 PolarHBondContact O-N 3.13Å; K249-S266 PolarHBondContact O-OG 2.89Å; K249-S266 VanDerWaalsContact O-OG 3.13Å |
| 250 | L | 91.6 | Very high | 86.8 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 144 | -176.1 | -73.9 | 146.3 | 0 | 0 | 0 | 108.9 | V69 F252 F264 S265 | V69-L250 HydrophobicContact CB-CB 4.13Å; V69-L250 HydrophobicContact CG2-CB 4.36Å; V69-L250 PolarHBondContact N-O 3.38Å; V69-L250 PolarHBondContact O-N 3.1Å; L250-F252 HydrophobicContact CB-CD2 4.21Å; L250-F252 HydrophobicContact CB-CE2 3.5Å; L250-F252 VanDerWaalsContact CB-CE2 3.5Å; L250-F252 HydrophobicContact CB-CZ 4.03Å; L250-F252 HydrophobicContact CD1-CE2 4.09Å; L250-F252 HydrophobicContact CD1-CZ 4.01Å; L250-F252 HydrophobicContact CD2-CE2 4.32Å; L250-F252 HydrophobicContact CD2-CZ 3.97Å; L250-F252 HydrophobicContact CG-CE2 4.18Å; L250-F252 HydrophobicContact CG-CZ 4.23Å; L250-F264 WeakPolarHBondContact CA-O 3.28Å; L250-S265 WeakPolarHBondContact CD2-OG 3.42Å |
| 251 | L | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.7 | 165.1 | -59.5 | 179.8 | 0 | 0 | 0 | 109.1 | L66 V68 L237 W245 V248 I263 F264 | L66-L251 HydrophobicContact CD1-CB 4.37Å; L66-L251 HydrophobicContact CD2-CD2 4.33Å; V68-L251 HydrophobicContact CB-CD2 4.09Å; V68-L251 HydrophobicContact CG1-CD2 3.93Å; V68-L251 HydrophobicContact CG2-CD2 3.82Å; L237-L251 HydrophobicContact CD2-CD2 4.38Å; W245-L251 HydrophobicContact CH2-CD1 3.85Å; W245-L251 HydrophobicContact CZ3-CD1 4.48Å; V248-L251 HydrophobicContact CG1-CD2 3.66Å; V248-L251 HydrophobicContact CG1-CG 3.84Å; L251-I263 HydrophobicContact CB-CD1 4.06Å; L251-I263 HydrophobicContact CB-CG1 3.7Å; L251-I263 HydrophobicContact CD1-CD1 4.44Å; L251-I263 WeakPolarHBondContact O-CG1 3.17Å; L251-I263 PolarHBondContact O-N 2.79Å; L251-F264 HydrophobicContact CB-CB 4.03Å; L251-F264 HydrophobicContact CD1-CB 4.2Å; L251-F264 HydrophobicContact CG-CB 4.18Å; L251-F264 HydrophobicContact CG-CD1 4.33Å; L251-F264 PolarHBondContact N-O 3.03Å; L251-F264 PolarHBondContact O-N 2.92Å |
| 252 | F | 94.3 | Very high | 87.7 | Confident | 41 Ų | 41 | 56.3 Ų | 56.3 | 18% | 0.18 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 147.7 | 171.7 | -50.9 | -103.1 | 0 | 0 | 0 | 110.5 | M67 V69 L250 A260 L261 P262 | M67-F252 HydrophobicContact CB-CB 4.29Å; M67-F252 HydrophobicContact CE-CB 4.17Å; M67-F252 HydrophobicContact CE-CD2 3.52Å; M67-F252 HydrophobicContact CE-CE2 4.02Å; M67-F252 HydrophobicContact CE-CG 3.93Å; M67-F252 PolarHBondContact N-O 3.27Å; M67-F252 PolarHBondContact O-N 3.42Å; V69-F252 HydrophobicContact CG2-CD2 4.33Å; V69-F252 HydrophobicContact CG2-CE2 3.98Å; L250-F252 HydrophobicContact CB-CD2 4.21Å; L250-F252 HydrophobicContact CB-CE2 3.5Å; L250-F252 VanDerWaalsContact CB-CE2 3.5Å; L250-F252 HydrophobicContact CB-CZ 4.03Å; L250-F252 HydrophobicContact CD1-CE2 4.09Å; L250-F252 HydrophobicContact CD1-CZ 4.01Å; L250-F252 HydrophobicContact CD2-CE2 4.32Å; L250-F252 HydrophobicContact CD2-CZ 3.97Å; L250-F252 HydrophobicContact CG-CE2 4.18Å; L250-F252 HydrophobicContact CG-CZ 4.23Å; F252-A260 HydrophobicContact CB-CB 3.94Å; F252-A260 HydrophobicContact CD1-CB 4.37Å; F252-A260 HydrophobicContact CG-CB 4.37Å; F252-L261 CarbonylContact C-O 3.58Å; F252-L261 WeakPolarHBondContact CA-O 3.45Å; F252-P262 HydrophobicContact CD1-CB 3.84Å; F252-P262 HydrophobicContact CE1-CB 3.91Å |
| 253 | V | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 139.9 | 169 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | L43 L64 F65 L66 I230 A260 L261 I263 | L43-V253 HydrophobicContact CD1-CB 3.88Å; L43-V253 HydrophobicContact CD1-CG1 3.57Å; L64-V253 HydrophobicContact CD1-CG1 4.19Å; L64-V253 HydrophobicContact CD2-CG1 3.6Å; L64-V253 HydrophobicContact CG-CG1 3.89Å; F65-V253 WeakPolarHBondContact O-CA 3.27Å; L66-V253 HydrophobicContact CD1-CG2 4.15Å; I230-V253 HydrophobicContact CD1-CG2 4.15Å; V253-A260 CarbonylContact O-C 3.59Å; V253-A260 WeakPolarHBondContact O-CA 3.32Å; V253-L261 PolarHBondContact N-O 3.2Å; V253-L261 PolarHBondContact O-N 3.13Å; V253-I263 HydrophobicContact CG2-CD1 3.84Å; V253-I263 HydrophobicContact CG2-CG1 4.21Å; V253-I263 HydrophobicContact CG2-CG2 3.72Å |
| 254 | K | 93.3 | Very high | 89.5 | Confident | 58 Ų | 58 | 52 Ų | 52 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 163.4 | 178.5 | 69 | -175.2 | -172.4 | 178.1 | 0 | 112.5 | F65 M67 A260 | F65-K254 HydrophobicContact CB-CG 4.29Å; F65-K254 PolarHBondContact N-O 3.13Å; F65-K254 PolarHBondContact O-N 3.02Å; M67-K254 HydrophobicContact SD-CD 4.29Å; M67-K254 PolarHBondContact SD-NZ 2.77Å; K254-A260 HydrophobicContact CB-CB 3.98Å; K254-A260 HydrophobicContact CD-CB 4.06Å |
| 255 | T | 91.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 179.5 | 160.1 | 79.8 | 0 | 0 | 0 | 0 | 110.8 | E62 N63 I219 K257 S258 | E62-T255 PolarHBondContact OE2-OG1 2.76Å; N63-T255 VanDerWaalsContact O-CA 3.28Å; N63-T255 WeakPolarHBondContact O-CA 3.35Å; N63-T255 WeakPolarHBondContact O-CB 3.39Å; I219-T255 HydrophobicContact CD1-CG2 3.64Å; T255-K257 PolarHBondContact O-N 3.3Å; T255-K257 PolarHBondContact OG1-N 3.04Å; T255-S258 PolarHBondContact N-OG 2.99Å; T255-S258 PolarHBondContact OG1-N 3.2Å |
| 256 | D | 86.3 | Confident | 89.6 | Confident | 104 Ų | 104 | 46.2 Ų | 46.2 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.8 | 175.1 | -70.1 | -62.1 | 0 | 0 | 0 | 113.8 | F65 | F65-D256 VanDerWaalsContact CE2-OD1 3.31Å; F65-D256 WeakPolarHBondContact CE2-OD1 3.48Å; F65-D256 WeakPolarHBondContact CE2-OD2 3.45Å |
| 257 | K | 84.8 | Confident | 88.7 | Confident | 136 Ų | 136 | 46.8 Ų | 46.8 | 59% | 0.591 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.3 | 10.2 | -172.2 | -55.1 | 178.8 | -159.7 | 140.8 | 0 | 114 | R50 E62 T255 | R50-K257 PolarHBondContact NH1-O 2.64Å; R50-K257 PolarHBondContact NH2-O 2.91Å; E62-K257 WeakPolarHBondContact OE1-CD 3.22Å; E62-K257 IonicContact OE1-NZ 2.62Å; E62-K257 PolarHBondContact OE1-NZ 2.86Å; T255-K257 PolarHBondContact O-N 3.3Å; T255-K257 PolarHBondContact OG1-N 3.04Å |
| 258 | S | 87.3 | Confident | 87 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -103 | 166.2 | -178 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | L43 T255 | L43-S258 WeakPolarHBondContact CD2-OG 3.23Å; T255-S258 PolarHBondContact N-OG 2.99Å; T255-S258 PolarHBondContact OG1-N 3.2Å |
| 259 | A | 89.5 | Confident | 84.9 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 60% | 0.603 | 31% | 0.314 | S | S | * | . | trans | -61 | 159 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 260 | A | 93.8 | Very high | 82.9 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | trans | -101.8 | 112.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | M67 F252 V253 K254 | M67-A260 HydrophobicContact CE-CB 4.24Å; F252-A260 HydrophobicContact CB-CB 3.94Å; F252-A260 HydrophobicContact CD1-CB 4.37Å; F252-A260 HydrophobicContact CG-CB 4.37Å; V253-A260 CarbonylContact O-C 3.59Å; V253-A260 WeakPolarHBondContact O-CA 3.32Å; K254-A260 HydrophobicContact CB-CB 3.98Å; K254-A260 HydrophobicContact CD-CB 4.06Å | ||
| 261 | L | 94.4 | Very high | 80.6 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.5 | -176.6 | -57.6 | -170.8 | 0 | 0 | 0 | 110.7 | A39 A42 L43 F252 V253 | A39-L261 HydrophobicContact CB-CB 4.11Å; A39-L261 HydrophobicContact CB-CD1 4.22Å; A42-L261 HydrophobicContact CB-CD1 3.89Å; L43-L261 HydrophobicContact CD1-CD1 4.43Å; L43-L261 HydrophobicContact CD2-CD1 4.28Å; L43-L261 HydrophobicContact CD2-CG 4.24Å; L43-L261 HydrophobicContact CG-CD1 3.84Å; L43-L261 HydrophobicContact CG-CG 4.2Å; F252-L261 CarbonylContact C-O 3.58Å; F252-L261 WeakPolarHBondContact CA-O 3.45Å; V253-L261 PolarHBondContact N-O 3.2Å; V253-L261 PolarHBondContact O-N 3.13Å |
| 262 | P | 92.8 | Very high | 78.5 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 128.2 | 178.8 | 28.9 | -33.1 | 0 | 0 | 0 | 111.4 | Q35 F252 | Q35-P262 PolarHBondContact NE2-O 3.26Å; Q35-P262 VanDerWaalsContact NE2-O 3.1Å; F252-P262 HydrophobicContact CD1-CB 3.84Å; F252-P262 HydrophobicContact CE1-CB 3.91Å |
| 263 | I | 93.3 | Very high | 76.6 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.051 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -20.3 | 172 | 60.6 | 163.7 | 0 | 0 | 0 | 112.8 | L31 V36 A39 L66 I230 L251 V253 | L31-I263 HydrophobicContact CD1-CB 4.39Å; L31-I263 HydrophobicContact CD1-CD1 4.1Å; L31-I263 HydrophobicContact CD1-CG1 4.28Å; L31-I263 HydrophobicContact CD2-CD1 4.27Å; V36-I263 HydrophobicContact CG2-CB 3.94Å; V36-I263 HydrophobicContact CG2-CD1 3.89Å; V36-I263 HydrophobicContact CG2-CG1 4.49Å; V36-I263 HydrophobicContact CG2-CG2 4.14Å; A39-I263 HydrophobicContact CB-CG2 3.66Å; L66-I263 HydrophobicContact CD1-CD1 3.83Å; I230-I263 HydrophobicContact CG2-CD1 3.98Å; L251-I263 HydrophobicContact CB-CD1 4.06Å; L251-I263 HydrophobicContact CB-CG1 3.7Å; L251-I263 HydrophobicContact CD1-CD1 4.44Å; L251-I263 WeakPolarHBondContact O-CG1 3.17Å; L251-I263 PolarHBondContact O-N 2.79Å; V253-I263 HydrophobicContact CG2-CD1 3.84Å; V253-I263 HydrophobicContact CG2-CG1 4.21Å; V253-I263 HydrophobicContact CG2-CG2 3.72Å |
| 264 | F | 90.4 | Very high | 74.7 | Confident | 28 Ų | 28 | 70.4 Ų | 70.4 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 139.3 | 176.8 | 176.2 | -99.7 | 0 | 0 | 0 | 110.7 | L31 W245 V248 L250 L251 | L31-F264 HydrophobicContact CD1-CB 3.89Å; W245-F264 AromaticContact CE2-CZ 3.99Å; W245-F264 HydrophobicContact CZ2-CD1 4.14Å; W245-F264 HydrophobicContact CZ2-CD2 4.19Å; W245-F264 AromaticContact CZ2-CE1 3.87Å; W245-F264 HydrophobicContact CZ2-CE1 3.87Å; W245-F264 AromaticContact CZ2-CE2 3.92Å; W245-F264 HydrophobicContact CZ2-CE2 3.92Å; W245-F264 HydrophobicContact CZ2-CG 4.29Å; W245-F264 AromaticContact CZ2-CZ 3.75Å; W245-F264 HydrophobicContact CZ2-CZ 3.75Å; W245-F264 AromaticContact NE1-CZ 3.84Å; V248-F264 HydrophobicContact CG1-CD1 4.24Å; V248-F264 HydrophobicContact CG1-CE1 4.25Å; L250-F264 WeakPolarHBondContact CA-O 3.28Å; L251-F264 HydrophobicContact CB-CB 4.03Å; L251-F264 HydrophobicContact CD1-CB 4.2Å; L251-F264 HydrophobicContact CG-CB 4.18Å; L251-F264 HydrophobicContact CG-CD1 4.33Å; L251-F264 PolarHBondContact N-O 3.03Å; L251-F264 PolarHBondContact O-N 2.92Å |
| 265 | S | 88.1 | Confident | 73.1 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 29% | 0.287 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 117.3 | 170.5 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | L250 F267 | L250-S265 WeakPolarHBondContact CD2-OG 3.42Å; S265-F267 VanDerWaalsContact C-N 3.29Å; S265-F267 PolarHBondContact O-N 3.12Å; S265-F267 VanDerWaalsContact O-N 3.12Å; S265-F267 VanDerWaalsContact OG-CD2 3.28Å; S265-F267 WeakPolarHBondContact OG-CD2 3.21Å; S265-F267 WeakPolarHBondContact OG-CE2 3.47Å |
| 266 | S | 80.6 | Confident | 71.5 | Confident | 30 Ų | 30 | 77.3 Ų | 77.3 | 21% | 0.21 | 43% | 0.428 | C | S | . | . | trans | -79.6 | 85 | 161.2 | 73.7 | 0 | 0 | 0 | 0 | 107.9 | W71 V248 K249 | W71-S266 PolarHBondContact NE1-OG 2.85Å; V248-S266 PolarHBondContact O-OG 2.91Å; K249-S266 WeakPolarHBondContact CA-OG 3.05Å; K249-S266 PolarHBondContact O-N 3.13Å; K249-S266 PolarHBondContact O-OG 2.89Å; K249-S266 VanDerWaalsContact O-OG 3.13Å | ||
| 267 | F | 63 | Low | 70.2 | Confident | 175 Ų | 175 | 79.5 Ų | 79.5 | 77% | 0.768 | 43% | 0.428 | S | S | * | . | trans | -61.6 | 139.1 | 158.5 | -71.8 | -77.5 | 0 | 0 | 0 | 108.2 | S265 S269 | S265-F267 VanDerWaalsContact C-N 3.29Å; S265-F267 PolarHBondContact O-N 3.12Å; S265-F267 VanDerWaalsContact O-N 3.12Å; S265-F267 VanDerWaalsContact OG-CD2 3.28Å; S265-F267 WeakPolarHBondContact OG-CD2 3.21Å; S265-F267 WeakPolarHBondContact OG-CE2 3.47Å; F267-S269 PolarHBondContact O-N 2.84Å | ||
| 268 | V | 48.6 | Very low | 69.1 | Low | 85 Ų | 85 | 75.9 Ų | 75.9 | 52% | 0.515 | 42% | 0.42 | S | S | . | . | trans | -78.8 | 83.5 | -165.3 | -172 | 0 | 0 | 0 | 0 | 111.2 | W71 W271 | W71-V268 HydrophobicContact CH2-CG2 3.41Å; W71-V268 VanDerWaalsContact CH2-CG2 3.41Å; W71-V268 HydrophobicContact CZ2-CG2 3.21Å; W71-V268 HydrophobicContact CZ3-CG2 4.48Å; V268-W271 HydrophobicContact CG1-CB 3.75Å; V268-W271 VanDerWaalsContact CG1-N 3.33Å | ||
| 269 | S | 43.1 | Very low | 67.9 | Low | 116 Ų | 116 | 78 Ų | 78 | 81% | 0.811 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -84.8 | 105.8 | 146.2 | 49.4 | 0 | 0 | 0 | 0 | 108.4 | F267 | F267-S269 PolarHBondContact O-N 2.84Š|
| 270 | N | 45.8 | Very low | 66.9 | Low | 124 Ų | 124 | 79.8 Ų | 79.8 | 66% | 0.663 | 43% | 0.427 | S | S | * | . | trans | 65.1 | 51.3 | 170.7 | -120.5 | 34.9 | 0 | 0 | 0 | 119.7 | D272 | N270-D272 PolarHBondContact ND2-OD2 2.83Å; N270-D272 PolarHBondContact O-N 2.57Å; N270-D272 PolarHBondContact OD1-OD2 3.32Å | ||
| 271 | W | 45.1 | Very low | 65.8 | Low | 102 Ų | 102 | 82.8 Ų | 82.8 | 39% | 0.386 | 44% | 0.438 | S | S | . | . | trans | -76.6 | 68.6 | 139 | -159.6 | 8.2 | 0 | 0 | 0 | 109.1 | W71 K72 V268 | W71-W271 HydrophobicContact CB-CE3 4.22Å; W71-W271 HydrophobicContact CB-CH2 3.79Å; W71-W271 HydrophobicContact CB-CZ3 3.57Å; W71-W271 AromaticContact CD2-CE3 3.92Å; W71-W271 HydrophobicContact CD2-CE3 3.92Å; W71-W271 AromaticContact CD2-CZ3 3.83Å; W71-W271 HydrophobicContact CD2-CZ3 3.83Å; W71-W271 AromaticContact CE3-CE3 3.88Å; W71-W271 HydrophobicContact CE3-CE3 3.88Å; W71-W271 AromaticContact CE3-CZ3 3.61Å; W71-W271 HydrophobicContact CE3-CZ3 3.61Å; W71-W271 HydrophobicContact CG-CE3 4.08Å; W71-W271 AromaticContact CG-CZ3 3.85Å; W71-W271 HydrophobicContact CG-CZ3 3.85Å; K72-W271 HydrophobicContact CB-CH2 4.26Å; V268-W271 HydrophobicContact CG1-CB 3.75Å; V268-W271 VanDerWaalsContact CG1-N 3.33Å | ||
| 272 | D | 49.4 | Very low | 64.8 | Low | 56 Ų | 56 | 87.4 Ų | 87.4 | 30% | 0.299 | 46% | 0.456 | S | S | . | . | trans | -51.2 | 142.8 | -164.1 | -158.3 | -43.4 | 0 | 0 | 0 | 112.6 | N270 A274 T275 K276 | N270-D272 PolarHBondContact ND2-OD2 2.83Å; N270-D272 PolarHBondContact O-N 2.57Å; N270-D272 PolarHBondContact OD1-OD2 3.32Å; D272-A274 HydrophobicContact CB-CB 4.4Å; D272-A274 PolarHBondContact O-N 2.62Å; D272-A274 WeakPolarHBondContact OD1-CB 3.38Å; D272-A274 PolarHBondContact OD1-N 3.13Å; D272-T275 WeakPolarHBondContact O-CA 3.44Å; D272-T275 WeakPolarHBondContact O-CB 3.02Å; D272-T275 PolarHBondContact O-N 3.46Å; D272-K276 PolarHBondContact O-N 2.98Å | ||
| 273 | E | 53.2 | Low | 64 | Low | 108 Ų | 108 | 92 Ų | 92 | 51% | 0.505 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -55 | -34.8 | 171 | -74.4 | -127.4 | 133.3 | 0 | 0 | 111.2 | T275 K276 R277 | E273-T275 VanDerWaalsContact C-N 3.32Å; E273-T275 PolarHBondContact O-N 3.46Å; E273-K276 PolarHBondContact O-N 3.5Å; E273-R277 WeakPolarHBondContact O-CB 3.34Å; E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.2Å; E273-R277 IonicContact OE2-CZ 3.53Å; E273-R277 IonicContact OE2-NE 3.54Å; E273-R277 IonicContact OE2-NH2 2.69Å; E273-R277 PolarHBondContact OE2-NH2 2.89Å |
| 274 | A | 55.8 | Low | 63.4 | Low | 56 Ų | 56 | 98.9 Ų | 98.9 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D272 S278 | D272-A274 HydrophobicContact CB-CB 4.4Å; D272-A274 PolarHBondContact O-N 2.62Å; D272-A274 WeakPolarHBondContact OD1-CB 3.38Å; D272-A274 PolarHBondContact OD1-N 3.13Å; A274-S278 WeakPolarHBondContact O-CB 3.38Å; A274-S278 PolarHBondContact O-N 3.15Å |
| 275 | T | 59 | Low | 62.9 | Low | 62 Ų | 62 | 105.6 Ų | 105.6 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | D272 E273 S278 M279 | D272-T275 WeakPolarHBondContact O-CA 3.44Å; D272-T275 WeakPolarHBondContact O-CB 3.02Å; D272-T275 PolarHBondContact O-N 3.46Å; E273-T275 VanDerWaalsContact C-N 3.32Å; E273-T275 PolarHBondContact O-N 3.46Å; T275-S278 PolarHBondContact O-N 2.71Å; T275-M279 WeakPolarHBondContact O-CB 3.4Å; T275-M279 WeakPolarHBondContact O-CG 3.4Å; T275-M279 PolarHBondContact O-N 2.87Å |
| 276 | K | 58.1 | Low | 62.5 | Low | 144 Ų | 144 | 108.4 Ų | 108.4 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | 177.1 | -155.9 | 175.2 | -176.1 | -178.5 | 0 | 111.6 | D272 E273 L280 | D272-K276 PolarHBondContact O-N 2.98Å; E273-K276 PolarHBondContact O-N 3.5Å; K276-L280 WeakPolarHBondContact O-CB 3.45Å; K276-L280 PolarHBondContact O-N 3.44Å |
| 277 | R | 58.1 | Low | 62.6 | Low | 150 Ų | 150 | 109.9 Ų | 109.9 | 57% | 0.566 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 173.3 | -67.1 | 172.6 | -156.2 | -177.7 | 8.8 | 111.3 | E273 L280 N281 | E273-R277 WeakPolarHBondContact O-CB 3.34Å; E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.2Å; E273-R277 IonicContact OE2-CZ 3.53Å; E273-R277 IonicContact OE2-NE 3.54Å; E273-R277 IonicContact OE2-NH2 2.69Å; E273-R277 PolarHBondContact OE2-NH2 2.89Å; R277-L280 PolarHBondContact O-N 3.28Å; R277-N281 WeakPolarHBondContact O-CB 3.3Å; R277-N281 VanDerWaalsContact O-CG 3.3Å; R277-N281 PolarHBondContact O-N 2.9Å; R277-N281 PolarHBondContact O-ND2 3.27Å |
| 278 | S | 62.8 | Low | 63.7 | Low | 59 Ų | 59 | 109.8 Ų | 109.8 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | A274 T275 N281 K282 | A274-S278 WeakPolarHBondContact O-CB 3.38Å; A274-S278 PolarHBondContact O-N 3.15Å; T275-S278 PolarHBondContact O-N 2.71Å; S278-N281 PolarHBondContact O-N 2.65Å; S278-K282 WeakPolarHBondContact O-CB 3.39Å; S278-K282 PolarHBondContact O-N 3Å |
| 279 | M | 61 | Low | 65.4 | Low | 69 Ų | 69 | 113.6 Ų | 113.6 | 34% | 0.34 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 173.3 | -79.6 | -74.1 | -177.2 | 0 | 0 | 112.6 | E243 T275 K282 R283 | E243-M279 WeakPolarHBondContact OE1-CE 3.47Å; T275-M279 WeakPolarHBondContact O-CB 3.4Å; T275-M279 WeakPolarHBondContact O-CG 3.4Å; T275-M279 PolarHBondContact O-N 2.87Å; M279-K282 PolarHBondContact O-N 3.24Å; M279-R283 WeakPolarHBondContact O-CB 3.48Å; M279-R283 PolarHBondContact O-N 3.13Å |
| 280 | L | 68.1 | Low | 67.4 | Low | 111 Ų | 111 | 113 Ų | 113 | 58% | 0.581 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 175.2 | -176 | 62.1 | 0 | 0 | 0 | 111.3 | K276 R277 R283 K284 | K276-L280 WeakPolarHBondContact O-CB 3.45Å; K276-L280 PolarHBondContact O-N 3.44Å; R277-L280 PolarHBondContact O-N 3.28Å; L280-R283 PolarHBondContact O-N 3.32Å; L280-K284 VanDerWaalsContact O-CB 3.31Å; L280-K284 WeakPolarHBondContact O-CB 3.29Å; L280-K284 PolarHBondContact O-N 3.17Å |
| 281 | N | 70.9 | Confident | 69.3 | Low | 98 Ų | 98 | 115.9 Ų | 115.9 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 177.1 | -75.8 | -22 | 0 | 0 | 0 | 112.5 | R277 S278 K284 K285 | R277-N281 WeakPolarHBondContact O-CB 3.3Å; R277-N281 VanDerWaalsContact O-CG 3.3Å; R277-N281 PolarHBondContact O-N 2.9Å; R277-N281 PolarHBondContact O-ND2 3.27Å; S278-N281 PolarHBondContact O-N 2.65Å; N281-K284 PolarHBondContact O-N 3.28Å; N281-K285 VanDerWaalsContact O-CB 3.31Å; N281-K285 WeakPolarHBondContact O-CB 3.49Å; N281-K285 PolarHBondContact O-N 3.44Å |
| 282 | K | 74 | Confident | 71.3 | Confident | 146 Ų | 146 | 118.9 Ų | 118.9 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.4 | -48.4 | 170.7 | -79.4 | -177.8 | 177.7 | 176.5 | 0 | 111 | S278 M279 K284 K285 E286 | S278-K282 WeakPolarHBondContact O-CB 3.39Å; S278-K282 PolarHBondContact O-N 3Å; M279-K282 PolarHBondContact O-N 3.24Å; K282-K284 PolarHBondContact O-N 2.88Å; K282-K285 PolarHBondContact O-N 2.93Å; K282-E286 WeakPolarHBondContact O-CB 3.33Å; K282-E286 PolarHBondContact O-N 2.85Å |
| 283 | R | 76.4 | Confident | 73.1 | Confident | 162 Ų | 162 | 120.1 Ų | 120.1 | 61% | 0.611 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.3 | -44.1 | 174 | -84.7 | -178.6 | 158.6 | -173 | -5 | 112.6 | M279 L280 E286 A287 | M279-R283 WeakPolarHBondContact O-CB 3.48Å; M279-R283 PolarHBondContact O-N 3.13Å; L280-R283 PolarHBondContact O-N 3.32Å; R283-E286 PolarHBondContact O-N 2.94Å; R283-A287 VanDerWaalsContact O-CB 3.28Å; R283-A287 WeakPolarHBondContact O-CB 3.36Å; R283-A287 PolarHBondContact O-N 3.5Å |
| 284 | K | 79.4 | Confident | 74.7 | Confident | 154 Ų | 154 | 123.7 Ų | 123.7 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.7 | -39.6 | 178.1 | -167.6 | 172.1 | 178.5 | 178.4 | 0 | 111.6 | L280 N281 K282 R288 | L280-K284 VanDerWaalsContact O-CB 3.31Å; L280-K284 WeakPolarHBondContact O-CB 3.29Å; L280-K284 PolarHBondContact O-N 3.17Å; N281-K284 PolarHBondContact O-N 3.28Å; K282-K284 PolarHBondContact O-N 2.88Å; K284-R288 WeakPolarHBondContact O-CB 3.44Å; K284-R288 PolarHBondContact O-N 3.36Å |
| 285 | K | 79.3 | Confident | 76.2 | Confident | 170 Ų | 170 | 125.4 Ų | 125.4 | 74% | 0.739 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.8 | -44.1 | 175.3 | -167.7 | 170.8 | -177.8 | 175.7 | 0 | 111.7 | N281 K282 R288 R289 | N281-K285 VanDerWaalsContact O-CB 3.31Å; N281-K285 WeakPolarHBondContact O-CB 3.49Å; N281-K285 PolarHBondContact O-N 3.44Å; K282-K285 PolarHBondContact O-N 2.93Å; K285-R288 PolarHBondContact O-N 3.37Å; K285-R289 PolarHBondContact O-N 2.98Å |
| 286 | E | 80.7 | Confident | 77.5 | Confident | 100 Ų | 100 | 129.3 Ų | 129.3 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -44.4 | 176.4 | -165.5 | -162.6 | 151 | 0 | 0 | 112.1 | K282 R283 R288 R289 K290 | K282-E286 WeakPolarHBondContact O-CB 3.33Å; K282-E286 PolarHBondContact O-N 2.85Å; R283-E286 PolarHBondContact O-N 2.94Å; E286-R288 VanDerWaalsContact C-N 3.34Å; E286-R288 PolarHBondContact O-N 3.07Å; E286-R289 WeakPolarHBondContact O-CB 3.13Å; E286-R289 PolarHBondContact O-N 3.27Å; E286-R289 VanDerWaalsContact O-N 3.13Å; E286-K290 HydrophobicContact CG-CD 4.49Å; E286-K290 PolarHBondContact O-N 3.49Å; E286-K290 WeakPolarHBondContact OE1-CE 3.4Å; E286-K290 IonicContact OE1-NZ 3.17Å; E286-K290 PolarHBondContact OE1-NZ 3Å |
| 287 | A | 83.5 | Confident | 78.8 | Confident | 60 Ų | 60 | 129.3 Ų | 129.3 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.4 | -39.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | R283 R289 K290 R291 | R283-A287 VanDerWaalsContact O-CB 3.28Å; R283-A287 WeakPolarHBondContact O-CB 3.36Å; R283-A287 PolarHBondContact O-N 3.5Å; A287-R289 VanDerWaalsContact C-N 3.33Å; A287-K290 PolarHBondContact O-N 3.43Å; A287-R291 WeakPolarHBondContact O-CB 3.49Å; A287-R291 PolarHBondContact O-N 3.42Å |
| 288 | R | 84.5 | Confident | 80.1 | Confident | 173 Ų | 173 | 128.3 Ų | 128.3 | 65% | 0.653 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -36.1 | 172.8 | -163.5 | 177.4 | -170.5 | -170.3 | 3.2 | 111.6 | K284 K285 E286 R292 | K284-R288 WeakPolarHBondContact O-CB 3.44Å; K284-R288 PolarHBondContact O-N 3.36Å; K285-R288 PolarHBondContact O-N 3.37Å; E286-R288 VanDerWaalsContact C-N 3.34Å; E286-R288 PolarHBondContact O-N 3.07Å; R288-R292 WeakPolarHBondContact O-CG 3.47Å; R288-R292 PolarHBondContact O-N 3.41Å |
| 289 | R | 85.2 | Confident | 81.1 | Confident | 166 Ų | 166 | 131 Ų | 131 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.7 | -51.8 | 173.8 | -146.3 | -171.2 | 87.9 | 169.4 | 11.9 | 111.2 | K285 E286 A287 R291 R292 E293 | K285-R289 PolarHBondContact O-N 2.98Å; E286-R289 WeakPolarHBondContact O-CB 3.13Å; E286-R289 PolarHBondContact O-N 3.27Å; E286-R289 VanDerWaalsContact O-N 3.13Å; A287-R289 VanDerWaalsContact C-N 3.33Å; R289-R291 VanDerWaalsContact C-N 3.28Å; R289-R291 PolarHBondContact O-N 3.15Å; R289-R292 WeakPolarHBondContact O-CA 3.48Å; R289-R292 WeakPolarHBondContact O-CB 3.13Å; R289-R292 PolarHBondContact O-N 2.97Å; R289-E293 IonicContact CZ-OE1 3.87Å; R289-E293 IonicContact NE-OE1 2.77Å; R289-E293 PolarHBondContact NE-OE1 2.9Å; R289-E293 IonicContact NH2-OE1 2.89Å; R289-E293 PolarHBondContact NH2-OE1 3Å; R289-E293 WeakPolarHBondContact O-CG 3.31Å; R289-E293 PolarHBondContact O-N 3.23Å |
| 290 | K | 85 | Confident | 82.2 | Confident | 103 Ų | 103 | 134.9 Ų | 134.9 | 45% | 0.448 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.2 | -31.3 | 177.2 | -74 | 172.3 | 172.6 | 172.3 | 0 | 113.7 | E286 A287 E293 R294 | E286-K290 HydrophobicContact CG-CD 4.49Å; E286-K290 PolarHBondContact O-N 3.49Å; E286-K290 WeakPolarHBondContact OE1-CE 3.4Å; E286-K290 IonicContact OE1-NZ 3.17Å; E286-K290 PolarHBondContact OE1-NZ 3Å; A287-K290 PolarHBondContact O-N 3.43Å; K290-E293 WeakPolarHBondContact CA-OE2 3.28Å; K290-R294 WeakPolarHBondContact O-CB 3.37Å; K290-R294 VanDerWaalsContact O-CG 3.3Å; K290-R294 WeakPolarHBondContact O-CG 3.38Å; K290-R294 PolarHBondContact O-N 2.93Å; K290-R294 VanDerWaalsContact O-N 3.15Å |
| 291 | R | 86 | Confident | 82.9 | Confident | 184 Ų | 184 | 134.3 Ų | 134.3 | 69% | 0.694 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.2 | -36.9 | 171.3 | -169.9 | 173.2 | 179.5 | -179.9 | -1.5 | 112.3 | A287 R289 N295 | A287-R291 WeakPolarHBondContact O-CB 3.49Å; A287-R291 PolarHBondContact O-N 3.42Å; R289-R291 VanDerWaalsContact C-N 3.28Å; R289-R291 PolarHBondContact O-N 3.15Å; R291-N295 WeakPolarHBondContact O-CB 3.4Å; R291-N295 PolarHBondContact O-N 2.83Å; R291-N295 VanDerWaalsContact O-N 3.08Å; R291-N295 PolarHBondContact O-OD1 2.85Å |
| 292 | R | 87.1 | Confident | 83.6 | Confident | 166 Ų | 166 | 138.7 Ų | 138.7 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.7 | -48.2 | 172.9 | -77.4 | 174.6 | 168.6 | -177.8 | -5.9 | 111.7 | R288 R289 R294 N295 F296 | R288-R292 WeakPolarHBondContact O-CG 3.47Å; R288-R292 PolarHBondContact O-N 3.41Å; R289-R292 WeakPolarHBondContact O-CA 3.48Å; R289-R292 WeakPolarHBondContact O-CB 3.13Å; R289-R292 PolarHBondContact O-N 2.97Å; R292-R294 PolarHBondContact O-N 3.28Å; R292-N295 PolarHBondContact O-N 2.87Å; R292-N295 VanDerWaalsContact O-N 3.15Å; R292-F296 PolarHBondContact O-N 3Å |
| 293 | E | 86.7 | Confident | 83.9 | Confident | 81 Ų | 81 | 138.3 Ų | 138.3 | 38% | 0.379 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -53.4 | -55.5 | 176 | -69.6 | 161.2 | 177.3 | 0 | 0 | 111 | R289 K290 N295 F296 E297 | R289-E293 IonicContact CZ-OE1 3.87Å; R289-E293 IonicContact NE-OE1 2.77Å; R289-E293 PolarHBondContact NE-OE1 2.9Å; R289-E293 IonicContact NH2-OE1 2.89Å; R289-E293 PolarHBondContact NH2-OE1 3Å; R289-E293 WeakPolarHBondContact O-CG 3.31Å; R289-E293 PolarHBondContact O-N 3.23Å; K290-E293 WeakPolarHBondContact CA-OE2 3.28Å; E293-N295 VanDerWaalsContact C-N 3.29Å; E293-N295 PolarHBondContact O-N 3.35Å; E293-F296 PolarHBondContact O-N 3.31Å; E293-E297 PolarHBondContact O-N 3.45Å |
| 294 | R | 87.8 | Confident | 84 | Confident | 184 Ų | 184 | 138.3 Ų | 138.3 | 69% | 0.694 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.6 | -31.9 | 177 | -73.8 | 175.8 | 173.6 | -170.3 | -3.1 | 114.3 | K290 R292 K298 | K290-R294 WeakPolarHBondContact O-CB 3.37Å; K290-R294 VanDerWaalsContact O-CG 3.3Å; K290-R294 WeakPolarHBondContact O-CG 3.38Å; K290-R294 PolarHBondContact O-N 2.93Å; K290-R294 VanDerWaalsContact O-N 3.15Å; R292-R294 PolarHBondContact O-N 3.28Å; R294-K298 WeakPolarHBondContact O-CB 3.31Å; R294-K298 VanDerWaalsContact O-CG 3.29Å; R294-K298 WeakPolarHBondContact O-CG 3.35Å; R294-K298 PolarHBondContact O-N 2.88Å |
| 295 | N | 86.8 | Confident | 84 | Confident | 92 Ų | 92 | 137.1 Ų | 137.1 | 49% | 0.492 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.6 | -42.6 | 176.8 | -80.7 | 10.2 | 0 | 0 | 0 | 111.4 | R291 R292 E293 K298 Q299 | R291-N295 WeakPolarHBondContact O-CB 3.4Å; R291-N295 PolarHBondContact O-N 2.83Å; R291-N295 VanDerWaalsContact O-N 3.08Å; R291-N295 PolarHBondContact O-OD1 2.85Å; R292-N295 PolarHBondContact O-N 2.87Å; R292-N295 VanDerWaalsContact O-N 3.15Å; E293-N295 VanDerWaalsContact C-N 3.29Å; E293-N295 PolarHBondContact O-N 3.35Å; N295-K298 PolarHBondContact O-N 3.39Å; N295-Q299 WeakPolarHBondContact O-CB 3.4Å; N295-Q299 PolarHBondContact O-N 3.32Å |
| 296 | F | 85.2 | Confident | 83.9 | Confident | 144 Ų | 144 | 138.5 Ų | 138.5 | 63% | 0.632 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.8 | -41.5 | 178 | -170.2 | -100.8 | 0 | 0 | 0 | 111.5 | R292 E293 Q299 K300 | R292-F296 PolarHBondContact O-N 3Å; E293-F296 PolarHBondContact O-N 3.31Å; F296-Q299 CarbonylContact O-C 3.6Å; F296-Q299 WeakPolarHBondContact O-CB 3.33Å; F296-Q299 PolarHBondContact O-N 3.02Å; F296-Q299 VanDerWaalsContact O-N 3.13Å; F296-K300 PolarHBondContact O-N 2.81Å |
| 297 | E | 86.5 | Confident | 83.4 | Confident | 143 Ų | 143 | 140.2 Ų | 140.2 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.2 | -47.1 | 176.3 | -169.1 | 145.3 | -118.5 | 0 | 0 | 112.2 | E293 Q299 K300 E301 | E293-E297 PolarHBondContact O-N 3.45Å; E297-Q299 PolarHBondContact O-N 3.23Å; E297-K300 PolarHBondContact O-N 3.21Å; E297-E301 PolarHBondContact O-N 2.95Å |
| 298 | K | 85.8 | Confident | 82.8 | Confident | 130 Ų | 130 | 140.1 Ų | 140.1 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.2 | -32.8 | 171 | -75.2 | 178.4 | 176.5 | -168.6 | 0 | 113 | R294 N295 R302 | R294-K298 WeakPolarHBondContact O-CB 3.31Å; R294-K298 VanDerWaalsContact O-CG 3.29Å; R294-K298 WeakPolarHBondContact O-CG 3.35Å; R294-K298 PolarHBondContact O-N 2.88Å; N295-K298 PolarHBondContact O-N 3.39Å; K298-R302 WeakPolarHBondContact O-CB 3.4Å; K298-R302 VanDerWaalsContact O-CG 3.26Å; K298-R302 WeakPolarHBondContact O-CG 3.26Å; K298-R302 PolarHBondContact O-N 3.42Å |
| 299 | Q | 83.3 | Confident | 82 | Confident | 115 Ų | 115 | 141.6 Ų | 141.6 | 54% | 0.537 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74 | -38 | 177.2 | -163.7 | 176.2 | 14.6 | 0 | 0 | 111.6 | N295 F296 E297 R302 K303 | N295-Q299 WeakPolarHBondContact O-CB 3.4Å; N295-Q299 PolarHBondContact O-N 3.32Å; F296-Q299 CarbonylContact O-C 3.6Å; F296-Q299 WeakPolarHBondContact O-CB 3.33Å; F296-Q299 PolarHBondContact O-N 3.02Å; F296-Q299 VanDerWaalsContact O-N 3.13Å; E297-Q299 PolarHBondContact O-N 3.23Å; Q299-R302 PolarHBondContact O-N 3.3Å; Q299-K303 PolarHBondContact O-N 3.02Å |
| 300 | K | 83.2 | Confident | 80.9 | Confident | 150 Ų | 150 | 141.3 Ų | 141.3 | 65% | 0.652 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.2 | -44.2 | 172.5 | -168.2 | 176.5 | -176.9 | 179.6 | 0 | 111.2 | F296 E297 K303 K304 | F296-K300 PolarHBondContact O-N 2.81Å; E297-K300 PolarHBondContact O-N 3.21Å; K300-K303 PolarHBondContact O-N 2.82Å; K300-K304 PolarHBondContact O-N 2.95Å |
| 301 | E | 83.1 | Confident | 79.5 | Confident | 99 Ų | 99 | 140.1 Ų | 140.1 | 46% | 0.463 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.4 | -45.4 | 174.4 | -163.1 | -154.9 | 148.5 | 0 | 0 | 111.8 | E297 K303 K304 K305 | E297-E301 PolarHBondContact O-N 2.95Å; E301-K303 PolarHBondContact O-N 3.38Å; E301-K304 PolarHBondContact O-N 2.83Å; E301-K305 WeakPolarHBondContact O-CB 3.34Å; E301-K305 PolarHBondContact O-N 3.33Å; E301-K305 WeakPolarHBondContact OE1-CE 3.43Å; E301-K305 IonicContact OE1-NZ 2.66Å; E301-K305 PolarHBondContact OE1-NZ 2.83Å |
| 302 | R | 85.6 | Confident | 78.1 | Confident | 190 Ų | 190 | 134.6 Ų | 134.6 | 72% | 0.717 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.1 | -39.7 | 173.9 | -78.8 | 175.7 | 171.3 | -159.9 | -4.8 | 112.6 | K298 Q299 K305 R306 | K298-R302 WeakPolarHBondContact O-CB 3.4Å; K298-R302 VanDerWaalsContact O-CG 3.26Å; K298-R302 WeakPolarHBondContact O-CG 3.26Å; K298-R302 PolarHBondContact O-N 3.42Å; Q299-R302 PolarHBondContact O-N 3.3Å; R302-K305 PolarHBondContact O-N 3.43Å; R302-R306 WeakPolarHBondContact O-CG 3.46Å; R302-R306 PolarHBondContact O-N 3.44Å |
| 303 | K | 81.2 | Confident | 76.5 | Confident | 139 Ų | 139 | 130.5 Ų | 130.5 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.9 | -49.1 | 173.3 | -80 | -169.1 | 175.4 | -169.8 | 0 | 111.1 | Q299 K300 E301 K305 R306 Q307 | Q299-K303 PolarHBondContact O-N 3.02Å; K300-K303 PolarHBondContact O-N 2.82Å; E301-K303 PolarHBondContact O-N 3.38Å; K303-K305 VanDerWaalsContact C-N 3.33Å; K303-K305 PolarHBondContact O-N 3.28Å; K303-R306 PolarHBondContact O-N 3.32Å; K303-R306 VanDerWaalsContact O-N 3.07Å; K303-Q307 PolarHBondContact O-N 3Å |
| 304 | K | 78.9 | Confident | 74.8 | Confident | 161 Ų | 161 | 132.4 Ų | 132.4 | 70% | 0.7 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.6 | -41 | 178.2 | -162.4 | 175.3 | -175 | -178.7 | 0 | 112 | K300 E301 Q307 A308 | K300-K304 PolarHBondContact O-N 2.95Å; E301-K304 PolarHBondContact O-N 2.83Å; K304-Q307 PolarHBondContact O-N 3.47Å; K304-A308 WeakPolarHBondContact O-CB 3.18Å; K304-A308 PolarHBondContact O-N 2.88Å |
| 305 | K | 78.4 | Confident | 72.9 | Confident | 129 Ų | 129 | 131 Ų | 131 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.4 | -31.4 | 174.4 | -76.1 | 175.8 | 171.3 | 173.3 | 0 | 113.9 | E301 R302 K303 R309 | E301-K305 WeakPolarHBondContact O-CB 3.34Å; E301-K305 PolarHBondContact O-N 3.33Å; E301-K305 WeakPolarHBondContact OE1-CE 3.43Å; E301-K305 IonicContact OE1-NZ 2.66Å; E301-K305 PolarHBondContact OE1-NZ 2.83Å; R302-K305 PolarHBondContact O-N 3.43Å; K303-K305 VanDerWaalsContact C-N 3.33Å; K303-K305 PolarHBondContact O-N 3.28Å; K305-R309 PolarHBondContact O-N 2.85Å |
| 306 | R | 77.3 | Confident | 71.1 | Confident | 199 Ų | 199 | 130 Ų | 130 | 75% | 0.751 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.7 | -35.6 | 172 | -71.9 | -176.8 | 86.9 | -178.5 | 7.1 | 112.5 | R302 K303 R309 K310 | R302-R306 WeakPolarHBondContact O-CG 3.46Å; R302-R306 PolarHBondContact O-N 3.44Å; K303-R306 PolarHBondContact O-N 3.32Å; K303-R306 VanDerWaalsContact O-N 3.07Å; R306-R309 PolarHBondContact O-N 2.87Å; R306-K310 PolarHBondContact O-N 3.33Å |
| 307 | Q | 70.6 | Confident | 69.1 | Low | 136 Ų | 136 | 130.7 Ų | 130.7 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.3 | -48.1 | 173.7 | -74.4 | 172.6 | -62.9 | 0 | 0 | 111.2 | K303 K304 R309 K310 S311 | K303-Q307 PolarHBondContact O-N 3Å; K304-Q307 PolarHBondContact O-N 3.47Å; Q307-R309 PolarHBondContact O-N 2.93Å; Q307-K310 PolarHBondContact O-N 3.32Å; Q307-S311 PolarHBondContact O-N 3.08Å; Q307-S311 PolarHBondContact O-OG 2.94Å |
| 308 | A | 69.9 | Low | 66.6 | Low | 58 Ų | 58 | 130.2 Ų | 130.2 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59.6 | -31.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | K304 S311 A312 | K304-A308 WeakPolarHBondContact O-CB 3.18Å; K304-A308 PolarHBondContact O-N 2.88Å; A308-S311 WeakPolarHBondContact CA-OG 3.42Å; A308-S311 PolarHBondContact O-OG 2.98Å; A308-A312 PolarHBondContact O-N 2.92Å |
| 309 | R | 68.1 | Low | 64.2 | Low | 205 Ų | 205 | 129 Ų | 129 | 77% | 0.774 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.1 | -35 | 171.8 | -79 | -174 | 170.6 | -158.9 | -5 | 113.3 | K305 R306 Q307 A312 S313 | K305-R309 PolarHBondContact O-N 2.85Å; R306-R309 PolarHBondContact O-N 2.87Å; Q307-R309 PolarHBondContact O-N 2.93Å; R309-A312 PolarHBondContact O-N 3.28Å; R309-S313 PolarHBondContact O-N 3.03Å; R309-S313 VanDerWaalsContact O-N 3.15Å; R309-S313 PolarHBondContact O-OG 2.91Å |
| 310 | K | 62.8 | Low | 61.7 | Low | 159 Ų | 159 | 129.7 Ų | 129.7 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.8 | -38.1 | 174.3 | -85.8 | -157.3 | 166.5 | -154 | 0 | 112.7 | R306 Q307 A312 S313 V314 | R306-K310 PolarHBondContact O-N 3.33Å; Q307-K310 PolarHBondContact O-N 3.32Å; K310-A312 VanDerWaalsContact C-N 3.27Å; K310-A312 PolarHBondContact O-N 2.93Å; K310-S313 PolarHBondContact O-N 2.8Å; K310-S313 PolarHBondContact O-OG 3.15Å; K310-V314 WeakPolarHBondContact O-CG2 3.33Å |
| 311 | S | 55.6 | Low | 59.2 | Low | 79 Ų | 79 | 126.6 Ų | 126.6 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.3 | -27.1 | 174.4 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | Q307 A308 | Q307-S311 PolarHBondContact O-N 3.08Å; Q307-S311 PolarHBondContact O-OG 2.94Å; A308-S311 WeakPolarHBondContact CA-OG 3.42Å; A308-S311 PolarHBondContact O-OG 2.98Å |
| 312 | A | 56.5 | Low | 57.8 | Low | 68 Ų | 68 | 127.3 Ų | 127.3 | 56% | 0.562 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -78.6 | -24.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A308 R309 K310 | A308-A312 PolarHBondContact O-N 2.92Å; R309-A312 PolarHBondContact O-N 3.28Å; K310-A312 VanDerWaalsContact C-N 3.27Å; K310-A312 PolarHBondContact O-N 2.93Å |
| 313 | S | 54.4 | Low | 55.2 | Low | 79 Ų | 79 | 126.5 Ų | 126.5 | 55% | 0.552 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 21.4 | -178.1 | 74.3 | 0 | 0 | 0 | 0 | 114.1 | R309 K310 | R309-S313 PolarHBondContact O-N 3.03Å; R309-S313 VanDerWaalsContact O-N 3.15Å; R309-S313 PolarHBondContact O-OG 2.91Å; K310-S313 PolarHBondContact O-N 2.8Å; K310-S313 PolarHBondContact O-OG 3.15Å |
| 314 | V | 49.3 | Very low | 52.6 | Low | 121 Ų | 121 | 124.4 Ų | 124.4 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -1 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | K310 | K310-V314 WeakPolarHBondContact O-CG2 3.33Š|
| 315 | L | 48.6 | Very low | 50 | Low | 156 Ų | 156 | 120.1 Ų | 120.1 | 82% | 0.817 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -103.3 | 24.7 | 177 | -78.9 | 164.2 | 0 | 0 | 0 | 112.6 | ||
| 316 | S | 49.6 | Very low | 47.5 | Very low | 71 Ų | 71 | 120.6 Ų | 120.6 | 50% | 0.497 | 68% | 0.675 | S | S | . | * | trans | -166.2 | 85.4 | -179.6 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 317 | K | 42.1 | Very low | 45.2 | Very low | 158 Ų | 158 | 116.4 Ų | 116.4 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | trans | -166 | 120.7 | 151.4 | -120.9 | 178.8 | 177 | -68.9 | 0 | 111.3 | D319 | K317-D319 IonicContact NZ-OD1 3.64Å; K317-D319 PolarHBondContact NZ-OD1 3.42Å; K317-D319 IonicContact NZ-OD2 3.43Å; K317-D319 PolarHBondContact NZ-OD2 2.62Å | ||
| 318 | D | 34.6 | Very low | 43.1 | Very low | 132 Ų | 132 | 115.5 Ų | 115.5 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | trans | -143.5 | -23.4 | -137.5 | -36.6 | -71 | 0 | 0 | 0 | 116 | ||||
| 319 | D | 35.6 | Very low | 41.2 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 56% | 0.561 | 69% | 0.685 | S | S | * | * | cis | -113.1 | -66.2 | -5.2 | -151.1 | 132 | 0 | 0 | 0 | 114.9 | K317 | K317-D319 IonicContact NZ-OD1 3.64Å; K317-D319 PolarHBondContact NZ-OD1 3.42Å; K317-D319 IonicContact NZ-OD2 3.43Å; K317-D319 PolarHBondContact NZ-OD2 2.62Å | ||
| 320 | V | 30.6 | Very low | 39.3 | Very low | 129 Ų | 129 | 117.8 Ų | 117.8 | 78% | 0.782 | 69% | 0.69 | S | S | * | * | cis | -138.2 | 160.7 | -5.1 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 321 | A | 31.2 | Very low | 37.4 | Very low | 86 Ų | 86 | 117.8 Ų | 117.8 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | trans | -154.4 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 322 | P | 52.6 | Low | 36.5 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | cis | -122.2 | -147.1 | -6.5 | 44.7 | -26.9 | 0 | 0 | 0 | 109.3 | ||||
| 323 | E | 30.6 | Very low | 34.9 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | cis | -166.2 | -172.7 | -18.1 | -132.4 | 179.9 | -87.7 | 0 | 0 | 107.1 | ||||
| 324 | S | 27.6 | Very low | 33.5 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | cis | -158.7 | 171.4 | -8.7 | -151 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 325 | G | 24.9 | Very low | 32.4 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | 73.3 | 142.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 326 | D | 26.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | cis | -157.9 | 170 | -8.9 | -172 | 38 | 0 | 0 | 0 | 111.9 | ||||
| 327 | T | 27.7 | Very low | 30 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | trans | 19.4 | 150.6 | 159.3 | 51.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 328 | T | 27.2 | Very low | 29.2 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | cis | -161.8 | 159.8 | -27.6 | -49.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 329 | V | 29.1 | Very low | 28.7 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | 159 | 138.6 | 99.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 330 | K | 28 | Very low | 28.6 | Very low | 198 Ų | 198 | 133.9 Ų | 133.9 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 61.1 | 113.1 | 158.1 | -75.5 | 166.1 | -170.6 | 171.7 | 0 | 123.5 | ||||
| 331 | K | 24 | Very low | 28.5 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | -60.9 | 172.6 | 134.1 | -123.3 | -167.9 | 178.2 | -135.6 | 0 | 111 | E333 | K331-E333 WeakPolarHBondContact CE-OE1 3.33Å; K331-E333 IonicContact NZ-OE1 2.82Å; K331-E333 PolarHBondContact NZ-OE1 2.66Å; K331-E333 IonicContact NZ-OE2 2.69Å; K331-E333 PolarHBondContact NZ-OE2 2.69Å | ||
| 332 | P | 37.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | cis | -137.1 | -168.1 | 0.3 | 47.9 | -30.7 | 0 | 0 | 0 | 112.8 | ||||
| 333 | E | 21.4 | Very low | 27.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | cis | -142.7 | -58.3 | -14.2 | -154.7 | 74.1 | -54.2 | 0 | 0 | 112.5 | K331 | K331-E333 WeakPolarHBondContact CE-OE1 3.33Å; K331-E333 IonicContact NZ-OE1 2.82Å; K331-E333 PolarHBondContact NZ-OE1 2.66Å; K331-E333 IonicContact NZ-OE2 2.69Å; K331-E333 PolarHBondContact NZ-OE2 2.69Å | ||
| 334 | S | 25.3 | Very low | 27.7 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -160 | 134 | -172.9 | 61.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 335 | K | 25.6 | Very low | 27.8 | Very low | 203 Ų | 203 | 139.5 Ų | 139.5 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -157.3 | 148.4 | 146.1 | -109.8 | 177.4 | -178.4 | -176.8 | 0 | 107.8 | ||||
| 336 | K | 27 | Very low | 28.1 | Very low | 209 Ų | 209 | 145.6 Ų | 145.6 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -153 | 104.6 | -171.2 | -164.6 | 168.5 | -172.2 | 169.3 | 0 | 112.4 | ||||
| 337 | E | 22.3 | Very low | 28.3 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -123.3 | 129.8 | -179.6 | -75.9 | -166 | 90.7 | 0 | 0 | 109.3 | ||||
| 338 | Q | 24.6 | Very low | 28.2 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | 71.7 | 86.9 | 82.2 | -65 | -165.9 | 110.8 | 0 | 0 | 112.6 | |||||
| 339 | T | 23.5 | Very low | 28.4 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | 90.1 | 143.4 | 103.3 | 18.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 340 | P | 34.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | -112.7 | 156.4 | 79.1 | -7 | 29.2 | 0 | 0 | 0 | 113.9 | |||||
| 341 | E | 28.6 | Very low | 28.6 | Very low | 159 Ų | 159 | 155.6 Ų | 155.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | 68.1 | 137 | 76 | -57.1 | -115.4 | 103.8 | 0 | 0 | 114.3 | |||||
| 342 | H | 31.8 | Very low | 28.9 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 58% | 0.579 | 78% | 0.781 | S | S | * | * | cis | -156.7 | 147 | -8.7 | -146.1 | 97.1 | 0 | 0 | 0 | 108.9 | K344 | H342-K344 WeakPolarHBondContact NE2-CE 3.08Å; H342-K344 PolarHBondContact NE2-NZ 2.69Å | ||
| 343 | G | 27.1 | Very low | 28.4 | Very low | 60 Ų | 60 | 156.5 Ų | 156.5 | 62% | 0.619 | 79% | 0.791 | S | S | * | * | cis | 168.4 | -177.9 | -11.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 344 | K | 37.5 | Very low | 28.8 | Very low | 170 Ų | 170 | 156.5 Ų | 156.5 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | trans | 68.5 | 142.5 | 165.6 | -64.8 | 152.8 | 176.9 | 152 | 0 | 117.3 | H342 | H342-K344 WeakPolarHBondContact NE2-CE 3.08Å; H342-K344 PolarHBondContact NE2-NZ 2.69Å | ||
| 345 | K | 30.9 | Very low | 28.8 | Very low | 201 Ų | 201 | 160.6 Ų | 160.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | cis | -139.3 | 174.5 | -0.7 | -122.7 | 167.1 | -177.1 | 176.4 | 0 | 110.3 | ||||
| 346 | K | 30.6 | Very low | 28.8 | Very low | 198 Ų | 198 | 155.1 Ų | 155.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -156.2 | 113.6 | -143.6 | -164.8 | 178.3 | -167 | 173.9 | 0 | 115.5 | ||||
| 347 | R | 30.8 | Very low | 28.7 | Very low | 262 Ų | 262 | 151.1 Ų | 151.1 | 99% | 0.989 | 79% | 0.79 | S | S | * | * | trans | 172.6 | 155 | 159.7 | -97.5 | 150.3 | -172.7 | -157.3 | -0.9 | 114.5 | ||||
| 348 | G | 25.7 | Very low | 28.8 | Very low | 76 Ų | 76 | 150.9 Ų | 150.9 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | cis | 155 | 142 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 349 | R | 30.3 | Very low | 28.9 | Very low | 262 Ų | 262 | 152 Ų | 152 | 99% | 0.989 | 80% | 0.799 | S | S | * | * | trans | -156.7 | 135.7 | 173.8 | -164.8 | 179.1 | -170.4 | -174.6 | 5.6 | 112.8 | ||||
| 350 | G | 28.2 | Very low | 29.3 | Very low | 73 Ų | 73 | 151.9 Ų | 151.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -169.4 | 173.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 351 | K | 32.9 | Very low | 28.9 | Very low | 215 Ų | 215 | 149.9 Ų | 149.9 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -131.9 | 177.8 | 173.8 | -46.4 | -179.2 | 175.1 | -177.8 | 0 | 108.8 | ||||
| 352 | A | 30.3 | Very low | 29.4 | Very low | 88 Ų | 88 | 149.9 Ų | 149.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | cis | -162.7 | 157.3 | 5.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 353 | Q | 27.6 | Very low | 29.4 | Very low | 198 Ų | 198 | 153.1 Ų | 153.1 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -175.8 | -175.9 | 134.1 | -107.5 | -173.2 | 7.9 | 0 | 0 | 112.5 | ||||
| 354 | V | 28.7 | Very low | 30 | Very low | 139 Ų | 139 | 157.4 Ų | 157.4 | 84% | 0.842 | 83% | 0.831 | S | S | * | * | trans | -150.9 | 131.9 | -165.7 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 355 | K | 25.2 | Very low | 29.9 | Very low | 197 Ų | 197 | 155.2 Ų | 155.2 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | 179.2 | 137 | 128.9 | -129.5 | -175 | 175.7 | -173.1 | 0 | 115.3 | |||||
| 356 | A | 26.8 | Very low | 30 | Very low | 88 Ų | 88 | 154.6 Ų | 154.6 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | 57.2 | 159.6 | 155 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 357 | T | 23.7 | Very low | 30.1 | Very low | 125 Ų | 125 | 153.2 Ų | 153.2 | 77% | 0.767 | 84% | 0.836 | S | S | * | * | cis | -150.9 | 118.2 | -1.5 | -16.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 358 | D | 25.2 | Very low | 30.2 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 78% | 0.781 | 82% | 0.824 | S | S | * | * | 91.2 | 156.1 | 92 | -156.1 | 7.6 | 0 | 0 | 0 | 113.3 | |||||
| 359 | E | 27.6 | Very low | 30.6 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | trans | 60.3 | 166.1 | -175.8 | -60.6 | -143.9 | 116.2 | 0 | 0 | 116.6 | ||||
| 360 | S | 31 | Very low | 30.7 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | cis | -171.6 | 166.7 | -36.7 | -174.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 361 | G | 27.4 | Very low | 30.7 | Very low | 72 Ų | 72 | 143.5 Ų | 143.5 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 117.6 | 126.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 362 | D | 38 | Very low | 30.5 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -83.6 | 154.7 | 167.6 | -62.1 | -86.5 | 0 | 0 | 0 | 111.7 | ||||
| 363 | E | 31.4 | Very low | 30.2 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -159.2 | 151.3 | 138.5 | -123.4 | 173.2 | -162.7 | 0 | 0 | 113.2 | ||||
| 364 | I | 41.2 | Very low | 30.3 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | -123.5 | 119.9 | -175 | -61.5 | 166.5 | 0 | 0 | 0 | 110 | ||||
| 365 | P | 34.1 | Very low | 30.5 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 139.3 | 162.9 | -16.8 | 32.7 | 0 | 0 | 0 | 112 | ||
| 366 | Q | 32.9 | Very low | 30.6 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84 | 170.3 | -172.6 | -69.2 | 178.1 | -34.3 | 0 | 0 | 114.8 | ||
| 367 | L | 34 | Very low | 30.6 | Very low | 170 Ų | 170 | 141 Ų | 141 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 141.8 | 172 | -66 | 164.6 | 0 | 0 | 0 | 112.2 | ||
| 368 | V | 32 | Very low | 30.7 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 75% | 0.745 | 83% | 0.825 | S | S | * | * | trans | -135.6 | 117.2 | 158 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | I370 | V368-I370 HydrophobicContact CG1-CD1 4.41Å; V368-I370 HydrophobicContact CG1-CG1 4.34Å | ||
| 369 | P | 34.8 | Very low | 30.9 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | trans | -96.5 | 124 | 178.5 | 33.2 | -28.4 | 0 | 0 | 0 | 112 | ||||
| 370 | I | 32.3 | Very low | 30.9 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 80% | 0.795 | 83% | 0.83 | S | S | * | * | trans | -131.3 | 133.9 | 178 | -66.2 | -179.8 | 0 | 0 | 0 | 111.6 | V368 | V368-I370 HydrophobicContact CG1-CD1 4.41Å; V368-I370 HydrophobicContact CG1-CG1 4.34Å | ||
| 371 | G | 27.2 | Very low | 30.8 | Very low | 68 Ų | 68 | 144.8 Ų | 144.8 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | 57.5 | 116.1 | 136.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 372 | K | 29 | Very low | 30.9 | Very low | 210 Ų | 210 | 149.5 Ų | 149.5 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | trans | -76.4 | 127.2 | 159.2 | -59.4 | 173.9 | -178.4 | 176.3 | 0 | 110.2 | ||||
| 373 | T | 25.2 | Very low | 30.6 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -148 | 107.7 | 154.9 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 374 | T | 29.5 | Very low | 30.5 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -92.5 | 142 | 148 | 48.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 375 | P | 32.6 | Very low | 29.9 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | -151 | 154.3 | 93.4 | 38.9 | -23 | 0 | 0 | 0 | 115.9 | |||||
| 376 | A | 26.5 | Very low | 29.8 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -174.7 | 126 | 138.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 377 | N | 28.3 | Very low | 29.5 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -103.8 | 153 | 164.3 | -83.7 | -4 | 0 | 0 | 0 | 108.6 | ||||
| 378 | E | 25.6 | Very low | 29.2 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -120.8 | 151.3 | 163.8 | -162.9 | 162.9 | -144.2 | 0 | 0 | 108.9 | ||||
| 379 | N | 28.6 | Very low | 29.1 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -84 | 149 | -157.1 | -72.2 | -36.5 | 0 | 0 | 0 | 115.1 | ||||
| 380 | V | 28.4 | Very low | 28.9 | Very low | 149 Ų | 149 | 148 Ų | 148 | 90% | 0.903 | 82% | 0.817 | S | S | * | * | trans | -130.7 | 127.4 | 136.1 | -178.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 381 | E | 27.3 | Very low | 28.7 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 66% | 0.659 | 82% | 0.816 | S | S | * | * | trans | -46.6 | 150.3 | 174.6 | 175.7 | 175.8 | -157.2 | 0 | 0 | 117.7 | Q383 | E381-Q383 PolarHBondContact OE1-NE2 2.82Š| ||
| 382 | I | 31.3 | Very low | 29.4 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -163.5 | 146.8 | 135.4 | -100.2 | 154.5 | 0 | 0 | 0 | 109.3 | ||||
| 383 | Q | 31.4 | Very low | 29.3 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 64% | 0.64 | 81% | 0.806 | S | S | * | * | trans | -100 | 151 | -175.2 | -54.4 | 169.9 | 14.5 | 0 | 0 | 111.9 | E381 | E381-Q383 PolarHBondContact OE1-NE2 2.82Š| ||
| 384 | K | 29.2 | Very low | 29.4 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 77% | 0.774 | 81% | 0.809 | S | S | * | * | 172.7 | 147.8 | 111 | -89.3 | -171.5 | -178.5 | -174.7 | 0 | 115.2 | |||||
| 385 | H | 29 | Very low | 29.2 | Very low | 162 Ų | 162 | 145 Ų | 145 | 75% | 0.75 | 80% | 0.804 | S | S | * | * | trans | -29.7 | 143.7 | 180 | -28.2 | -80.8 | 0 | 0 | 0 | 121.1 | ||||
| 386 | A | 30.8 | Very low | 29.4 | Very low | 104 Ų | 104 | 145 Ų | 145 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | -166.9 | 159.7 | 128.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 387 | T | 26.8 | Very low | 29.3 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -98.2 | 149.5 | -162.8 | -31.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 388 | G | 27.1 | Very low | 30.3 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 121.8 | 103.2 | 133 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 389 | K | 30.4 | Very low | 30.3 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 57.5 | 122.5 | 140.8 | -73.8 | 177.5 | 177.6 | 171.3 | 0 | 122.7 | ||||
| 390 | K | 30.1 | Very low | 30.3 | Very low | 203 Ų | 203 | 140.3 Ų | 140.3 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | 78.7 | 135.3 | 139.4 | -68.4 | -173.3 | 173.6 | -170.7 | 0 | 121.1 | ||||
| 391 | S | 28 | Very low | 31 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -96.9 | -172.5 | 166.4 | 58.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 392 | P | 43.5 | Very low | 31 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | cis | -147.3 | 175.7 | 15.7 | 42.4 | -20.5 | 0 | 0 | 0 | 120 | ||||
| 393 | T | 26.3 | Very low | 30.8 | Very low | 122 Ų | 122 | 138 Ų | 138 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 50.1 | 120.5 | 148 | 51.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 394 | K | 27.2 | Very low | 30.8 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | -173.7 | 149.6 | 95.3 | -104.3 | 176.6 | -178.9 | 175.3 | 0 | 114.1 | |||||
| 395 | S | 26 | Very low | 30.8 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -100.2 | 178.4 | 160 | 55.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 396 | P | 36.5 | Very low | 30.9 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | cis | -144.2 | -173.2 | 17.5 | 43.4 | -22 | 0 | 0 | 0 | 118.3 | ||||
| 397 | N | 24.1 | Very low | 30.9 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -55.3 | -175.5 | 159.5 | -71.4 | -27 | 0 | 0 | 0 | 114.6 | ||||
| 398 | P | 48.6 | Very low | 31.1 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | cis | -134.2 | -180 | -29.1 | 30.1 | -10.3 | 0 | 0 | 0 | 114 | ||||
| 399 | S | 26.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | -173.9 | 145.9 | 125.4 | 34.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 400 | T | 28.3 | Very low | 31.4 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -97.8 | -176.7 | 175 | 17.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 401 | P | 42.1 | Very low | 31.3 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | cis | -139 | -170.9 | -21.9 | 36.2 | -16.4 | 0 | 0 | 0 | 114.7 | ||||
| 402 | R | 27.4 | Very low | 31.2 | Very low | 248 Ų | 248 | 142.8 Ų | 142.8 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | 68.3 | 139.7 | 158 | -68.8 | 171.5 | 169.4 | -172.1 | -2.5 | 117.4 | ||||
| 403 | G | 26.9 | Very low | 30.4 | Very low | 63 Ų | 63 | 146.6 Ų | 146.6 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | cis | 157.1 | 170.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 404 | K | 33.4 | Very low | 30.6 | Very low | 212 Ų | 212 | 147.3 Ų | 147.3 | 92% | 0.922 | 81% | 0.809 | S | S | * | * | trans | 76.9 | 151 | -175 | -51.7 | 171.5 | -175.9 | 173 | 0 | 114.7 | ||||
| 405 | K | 29.1 | Very low | 31.1 | Very low | 181 Ų | 181 | 143 Ų | 143 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | cis | -167.6 | 140.4 | -42.8 | -131.5 | 179.6 | -178.3 | 174.9 | 0 | 109.5 | ||||
| 406 | R | 29.5 | Very low | 31 | Very low | 226 Ų | 226 | 147.2 Ų | 147.2 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | 61 | 115.9 | 160.9 | -63.8 | 174.1 | 165.2 | 173.7 | -7.1 | 119.3 | ||||
| 407 | K | 31.6 | Very low | 30.7 | Very low | 211 Ų | 211 | 146 Ų | 146 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | -161.8 | 157.4 | 103.3 | -114.1 | 179.9 | 178.7 | -178.6 | 0 | 111.9 | |||||
| 408 | A | 31 | Very low | 31 | Very low | 83 Ų | 83 | 143.3 Ų | 143.3 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | trans | -130.9 | 168.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 409 | L | 30.8 | Very low | 29.9 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | cis | -134.5 | 171.4 | 12 | -71.8 | 158.7 | 0 | 0 | 0 | 109.4 | ||||
| 410 | P | 32.4 | Very low | 30 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -98.4 | 173.7 | 173.8 | 38.6 | -34.8 | 0 | 0 | 0 | 114.7 | ||||
| 411 | A | 27.5 | Very low | 30.6 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 106.2 | 88.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 412 | S | 27.6 | Very low | 29.8 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -159 | 152.4 | 138.8 | 54.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 413 | E | 26.9 | Very low | 29.8 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | cis | -155.5 | 169 | -0.8 | -122.7 | 158.4 | -130.9 | 0 | 0 | 109.2 | ||||
| 414 | T | 29.6 | Very low | 29.7 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -134.7 | 160.1 | 176.5 | 27.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 415 | P | 37 | Very low | 30.2 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -112.4 | -174.9 | -130.1 | 42.5 | -39.6 | 0 | 0 | 0 | 118 | ||||
| 416 | K | 24.6 | Very low | 30.1 | Very low | 194 Ų | 194 | 136 Ų | 136 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -22.2 | 136.4 | 164.2 | -62.1 | 177.1 | 179.4 | -179.8 | 0 | 115.2 | ||||
| 417 | A | 29.3 | Very low | 30.3 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | 71.2 | 129.9 | 54.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 418 | A | 30.3 | Very low | 30.3 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | cis | -138.2 | -133.3 | -7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 419 | E | 26.8 | Very low | 30.3 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | cis | -139.7 | -114.6 | 9.6 | -73.2 | -176.5 | 79.1 | 0 | 0 | 113 | ||||
| 420 | T | 28.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -157.7 | -177.4 | -160.2 | 35.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 421 | P | 40.5 | Very low | 30.1 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 84% | 0.844 | 84% | 0.837 | S | S | * | * | cis | -132.2 | 176.7 | 1.9 | 42.3 | -26.2 | 0 | 0 | 0 | 116.6 | ||||
| 422 | G | 25 | Very low | 30.3 | Very low | 72 Ų | 72 | 150.2 Ų | 150.2 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | 163.6 | 110.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 423 | K | 27.1 | Very low | 30.4 | Very low | 218 Ų | 218 | 153.6 Ų | 153.6 | 95% | 0.948 | 84% | 0.836 | S | S | * | * | trans | 57.9 | 132.2 | 162.7 | -70.4 | -178.5 | 175.7 | 176.6 | 0 | 120.5 | ||||
| 424 | G | 24.9 | Very low | 30.4 | Very low | 72 Ų | 72 | 153.5 Ų | 153.5 | 74% | 0.742 | 84% | 0.836 | S | S | * | * | trans | -103.5 | -150.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 425 | P | 43.9 | Very low | 30.5 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 90% | 0.903 | 83% | 0.832 | S | S | * | * | cis | -133.5 | 176.8 | 7.1 | 42.5 | -26.6 | 0 | 0 | 0 | 115.6 | ||||
| 426 | G | 28.2 | Very low | 30 | Very low | 80 Ų | 80 | 153.2 Ų | 153.2 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | 176 | 104.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 427 | K | 33 | Very low | 30.3 | Very low | 208 Ų | 208 | 152 Ų | 152 | 90% | 0.904 | 84% | 0.835 | S | S | * | * | trans | -47 | 141.9 | 178.7 | -67.8 | 166.4 | 173.5 | 168.4 | 0 | 117.3 | ||||
| 428 | K | 31.7 | Very low | 30.3 | Very low | 215 Ų | 215 | 153.4 Ų | 153.4 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | -161.7 | 172.7 | 110.4 | -107.3 | 170.7 | -175.3 | 179.5 | 0 | 112.8 | |||||
| 429 | R | 30.9 | Very low | 30.1 | Very low | 256 Ų | 256 | 157.5 Ų | 157.5 | 97% | 0.966 | 83% | 0.826 | S | S | * | * | trans | -114.1 | 169 | -155.9 | -88.8 | -176.2 | 170 | 179.5 | -4.3 | 115.5 | ||||
| 430 | K | 28.5 | Very low | 30.3 | Very low | 190 Ų | 190 | 156.3 Ų | 156.3 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -113.4 | 136.4 | -174.6 | 171.8 | -173.9 | -177.4 | 179.4 | 0 | 111 | ||||
| 431 | I | 31 | Very low | 31 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -139.4 | 115.2 | 157.5 | -58.8 | 179.6 | 0 | 0 | 0 | 104.2 | ||||
| 432 | K | 30.8 | Very low | 30.5 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | 94.7 | 143.5 | 52.8 | -141 | -163.4 | -178.4 | -148.9 | 0 | 111.3 | |||||
| 433 | E | 29.2 | Very low | 30.8 | Very low | 176 Ų | 176 | 158.4 Ų | 158.4 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -134.1 | 147.8 | -159.9 | 167.1 | -174.3 | -164.4 | 0 | 0 | 107.6 | ||||
| 434 | E | 27.9 | Very low | 30.8 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -153.6 | 154.1 | 170.8 | -150.8 | 153.3 | -107.3 | 0 | 0 | 110.1 | ||||
| 435 | A | 30.9 | Very low | 31.3 | Very low | 91 Ų | 91 | 157.4 Ų | 157.4 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -131.3 | 150.6 | -162.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 436 | V | 28 | Very low | 30.6 | Very low | 155 Ų | 155 | 160.7 Ų | 160.7 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -131.1 | 158.6 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 437 | K | 30 | Very low | 30.8 | Very low | 167 Ų | 167 | 164.4 Ų | 164.4 | 73% | 0.726 | 82% | 0.82 | S | S | * | * | trans | -127.5 | 151.7 | -145.9 | -161.3 | -161.3 | -168.6 | -146.7 | 0 | 112.6 | ||||
| 438 | E | 29.2 | Very low | 30.9 | Very low | 126 Ų | 126 | 159.6 Ų | 159.6 | 59% | 0.589 | 82% | 0.819 | S | S | * | * | trans | 62.7 | 141.5 | 159.9 | -88.2 | 168.1 | -130.5 | 0 | 0 | 117.4 | ||||
| 439 | K | 26.3 | Very low | 31 | Very low | 180 Ų | 180 | 160.9 Ų | 160.9 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | cis | -159 | 157.7 | 35.3 | -118.9 | 146.4 | -174.3 | 169.5 | 0 | 111.6 | ||||
| 440 | N | 30 | Very low | 31.2 | Very low | 156 Ų | 156 | 157.8 Ų | 157.8 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -106.4 | 154.8 | 157.6 | -83.6 | -41.7 | 0 | 0 | 0 | 109 | ||||
| 441 | P | 43 | Very low | 31.7 | Very low | 120 Ų | 120 | 155 Ų | 155 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | -146 | 172.9 | 105.3 | 38.4 | -24.3 | 0 | 0 | 0 | 113.3 | |||||
| 442 | S | 31.3 | Very low | 31.9 | Very low | 95 Ų | 95 | 153 Ų | 153 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | cis | -176.2 | 144.3 | -34.8 | 59.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 443 | L | 30.6 | Very low | 32.1 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | 55.5 | 116.6 | 154.3 | -65.1 | 167.7 | 0 | 0 | 0 | 120.3 | ||||
| 444 | G | 27 | Very low | 32.3 | Very low | 82 Ų | 82 | 155.7 Ų | 155.7 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -152.9 | 92.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 445 | K | 35.3 | Very low | 32.7 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | -84.8 | 138.3 | -179.6 | -67.6 | -177.5 | 179.5 | 179.8 | 0 | 111.8 | ||||
| 446 | K | 30.6 | Very low | 32.6 | Very low | 207 Ų | 207 | 152.4 Ų | 152.4 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | trans | -165.9 | 125.7 | 135.8 | -114.1 | 170.1 | -176.5 | 176.9 | 0 | 112.2 | ||||
| 447 | D | 31.9 | Very low | 32.8 | Very low | 159 Ų | 159 | 149 Ų | 149 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -78.3 | 146.4 | 172.1 | -65.9 | -90.2 | 0 | 0 | 0 | 112.2 | ||||
| 448 | A | 34.9 | Very low | 33 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -146.5 | 90.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 449 | R | 32.8 | Very low | 33 | Very low | 243 Ų | 243 | 154 Ų | 154 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | trans | -78.6 | 119.4 | -179.5 | 176.8 | -168.2 | -174 | -163 | 5.4 | 111.2 | ||||
| 450 | Q | 35.2 | Very low | 33.1 | Very low | 191 Ų | 191 | 154.2 Ų | 154.2 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -157.8 | 157 | 151.7 | -121 | 169.6 | 94.3 | 0 | 0 | 114.3 | ||||
| 451 | T | 38.8 | Very low | 33.2 | Very low | 130 Ų | 130 | 152.8 Ų | 152.8 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -100.6 | 167.4 | -164.6 | 19.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 452 | P | 37.1 | Very low | 32.6 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | trans | -82.5 | 156.6 | -157.4 | 32.3 | -37.6 | 0 | 0 | 0 | 115.3 | ||||
| 453 | K | 34.3 | Very low | 32.5 | Very low | 209 Ų | 209 | 157.3 Ų | 157.3 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | -111.1 | 146.9 | 164.9 | -71.5 | -175.9 | 177.3 | 177.7 | 0 | 110.9 | ||||
| 454 | K | 34.2 | Very low | 32.5 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 154.8 | -173.7 | -74.9 | 179.3 | 176.8 | 176.4 | 0 | 112.9 | ||
| 455 | P | 36 | Very low | 32.8 | Very low | 127 Ų | 127 | 160.1 Ų | 160.1 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 137.4 | 171.6 | 28.9 | -35.2 | 0 | 0 | 0 | 111.5 | ||
| 456 | G | 28 | Very low | 32.6 | Very low | 76 Ų | 76 | 156 Ų | 156 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 124.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 457 | A | 33.2 | Very low | 32.5 | Very low | 83 Ų | 83 | 153.1 Ų | 153.1 | 69% | 0.686 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 140.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F459 | A457-F459 HydrophobicContact CB-CD2 4.4Å; A457-F459 HydrophobicContact CB-CE2 4.36Å |
| 458 | R | 34.3 | Very low | 32.5 | Very low | 222 Ų | 222 | 156.8 Ų | 156.8 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -125.4 | 91 | 162.4 | -76.3 | -168.6 | 173.3 | -166.9 | -1.9 | 109.8 | ||||
| 459 | F | 28.1 | Very low | 32.3 | Very low | 177 Ų | 177 | 161.8 Ų | 161.8 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -66.7 | 135.1 | 157.7 | -70.1 | -95.4 | 0 | 0 | 0 | 108.5 | A457 | A457-F459 HydrophobicContact CB-CD2 4.4Å; A457-F459 HydrophobicContact CB-CE2 4.36Å | ||
| 460 | F | 28.4 | Very low | 32.1 | Very low | 184 Ų | 184 | 154.4 Ų | 154.4 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | trans | -125.5 | 97.3 | 156 | -86.5 | -76.1 | 0 | 0 | 0 | 107.8 | ||||
| 461 | T | 31.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -73.8 | 148.6 | 175.7 | 42 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 462 | T | 30.2 | Very low | 31.8 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -58.1 | 145.1 | 172.9 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 463 | L | 29.3 | Very low | 32 | Very low | 178 Ų | 178 | 153.4 Ų | 153.4 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | trans | -126.2 | 132.6 | 151.9 | -174.2 | 62.6 | 0 | 0 | 0 | 109.5 | ||||
| 464 | S | 30.7 | Very low | 32.3 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | trans | -139.2 | 125.4 | -177.7 | 56.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 465 | K | 33.8 | Very low | 32.2 | Very low | 209 Ų | 209 | 149.3 Ų | 149.3 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | 166.5 | 159.2 | 163.8 | -96.5 | 154.4 | -175.8 | -179.7 | 0 | 107.7 | ||||
| 466 | S | 31.4 | Very low | 32.1 | Very low | 99 Ų | 99 | 152.7 Ų | 152.7 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | cis | 178.6 | 118 | -27.2 | 161.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 467 | V | 28.7 | Very low | 32.3 | Very low | 148 Ų | 148 | 160.9 Ų | 160.9 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -133.9 | 122 | 164.2 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 468 | R | 31.9 | Very low | 32.7 | Very low | 235 Ų | 235 | 162.8 Ų | 162.8 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -132.8 | 120.2 | 171.1 | -87 | -171.9 | 174.4 | -169.8 | 1.4 | 108.8 | ||||
| 469 | K | 29.3 | Very low | 32.8 | Very low | 211 Ų | 211 | 162 Ų | 162 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | 161.7 | 148.3 | 155.1 | -95.7 | 172.3 | 178.9 | -178.1 | 0 | 107.4 | ||||
| 470 | A | 29.9 | Very low | 33.4 | Very low | 88 Ų | 88 | 163 Ų | 163 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | cis | -152.4 | 161.4 | -15.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 471 | S | 29.7 | Very low | 34.3 | Very low | 111 Ų | 111 | 160.5 Ų | 160.5 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | trans | -87.8 | 131.4 | 172.2 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 472 | H | 37.6 | Very low | 34.5 | Very low | 184 Ų | 184 | 163.8 Ų | 163.8 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | trans | -125.7 | 153.5 | 161.8 | -101.1 | -98.2 | 0 | 0 | 0 | 110.8 | ||||
| 473 | T | 41 | Very low | 35.1 | Very low | 130 Ų | 130 | 162.9 Ų | 162.9 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | trans | -109.7 | -157 | -163.9 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 474 | P | 39.9 | Very low | 35.9 | Very low | 113 Ų | 113 | 159.9 Ų | 159.9 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | -101.6 | 148.2 | -118 | 25.1 | -5.9 | 0 | 0 | 0 | 114.6 | K476 | P474-K476 PolarHBondContact O-N 3.22Š| |||
| 475 | K | 33.9 | Very low | 36.5 | Very low | 209 Ų | 209 | 163.3 Ų | 163.3 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -73.5 | 109.2 | 178.4 | -154 | 170.9 | -170.6 | 175.6 | 0 | 110.7 | ||||
| 476 | K | 33.4 | Very low | 36.8 | Very low | 197 Ų | 197 | 158.7 Ų | 158.7 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 144.4 | 177 | -67.4 | 177.7 | 178.9 | 174.2 | 0 | 111.4 | P474 | P474-K476 PolarHBondContact O-N 3.22Š|
| 477 | W | 32.1 | Very low | 37.2 | Very low | 248 Ų | 248 | 162.4 Ų | 162.4 | 94% | 0.939 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 140.4 | 160.5 | -76.5 | -1.2 | 0 | 0 | 0 | 110.5 | ||
| 478 | P | 42 | Very low | 37.6 | Very low | 124 Ų | 124 | 163.2 Ų | 163.2 | 81% | 0.805 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 142.7 | 173 | 30.7 | -33.7 | 0 | 0 | 0 | 111.3 | ||
| 479 | K | 34.5 | Very low | 37.9 | Very low | 204 Ų | 204 | 159.4 Ų | 159.4 | 89% | 0.887 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -81 | 140.6 | 170.9 | -62 | -179.7 | -180 | 178.6 | 0 | 109.6 | ||
| 480 | K | 42 | Very low | 38.4 | Very low | 200 Ų | 200 | 156.5 Ų | 156.5 | 87% | 0.87 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 139.8 | 162.1 | -66.6 | -171.1 | 176.7 | -170.9 | 0 | 109.8 | ||
| 481 | P | 47.6 | Very low | 38.9 | Very low | 131 Ų | 131 | 160.5 Ų | 160.5 | 85% | 0.851 | 86% | 0.858 | S | S | * | * | trans | -72.7 | 174.2 | 165.5 | 32.5 | -34.4 | 0 | 0 | 0 | 111.5 | ||||
| 482 | K | 36 | Very low | 39.5 | Very low | 194 Ų | 194 | 163.6 Ų | 163.6 | 84% | 0.843 | 86% | 0.863 | S | S | * | * | trans | -154.3 | 160.9 | -175.4 | -166.3 | -171.1 | 178.5 | -168.9 | 0 | 109.7 | ||||
| 483 | V | 42.1 | Very low | 39.6 | Very low | 113 Ų | 113 | 162.3 Ų | 162.3 | 69% | 0.685 | 86% | 0.863 | S | S | * | * | trans | 79.9 | 147.2 | 174.1 | -171.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 484 | P | 46.9 | Very low | 39.5 | Very low | 115 Ų | 115 | 164.6 Ų | 164.6 | 75% | 0.747 | 87% | 0.868 | S | S | * | * | cis | -92.7 | 172.6 | -10.2 | 6.6 | 16.4 | 0 | 0 | 0 | 111.8 | ||||
| 485 | Q | 42.8 | Very low | 39.5 | Very low | 167 Ų | 167 | 168.5 Ų | 168.5 | 78% | 0.78 | 88% | 0.878 | S | S | * | * | cis | 94.5 | 113.5 | 19.5 | -163.5 | 174.6 | -0.2 | 0 | 0 | 115.8 | ||||
| 486 | S | 40.8 | Very low | 39.9 | Very low | 112 Ų | 112 | 165.2 Ų | 165.2 | 78% | 0.783 | 88% | 0.876 | S | S | * | * | trans | 63 | 108.7 | 162.6 | -61.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 487 | A | 38.9 | Very low | 40.5 | Very low | 177 Ų | 177 | 162.3 Ų | 162.3 | 100% | 1.463 | 88% | 0.878 | S | S | * | * | -132.6 | 0 | 128.1 | 0 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 487 of 487 residues in 383.5 ms
(Link to these results)