| 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 | 45.3 | Very low | 38.9 | Very low | 250 Ų | 250 | 148.5 Ų | 148.5 | 100% | 1.232 | 82% | 0.821 | S | S | * | * | 0 | 107.2 | 0 | -76.1 | -178 | -170.4 | 0 | 0 | 108.5 | |||||
| 2 | A | 28.3 | Very low | 39.8 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -166.6 | 121.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | T | 37 | Very low | 41 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | -57.7 | -178.2 | 161.9 | 40.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | P | 43.7 | Very low | 42.5 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | cis | -132.8 | 146.9 | -30.6 | 32.1 | -14.7 | 0 | 0 | 0 | 111.8 | ||||
| 5 | N | 31.6 | Very low | 44.4 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | trans | -151.9 | 15.5 | 173.3 | -109.4 | -13.2 | 0 | 0 | 0 | 118.3 | ||||
| 6 | L | 35.6 | Very low | 46.1 | Very low | 185 Ų | 185 | 124.1 Ų | 124.1 | 97% | 0.969 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 11.8 | -177.7 | -82.3 | 156.2 | 0 | 0 | 0 | 115.3 | ||
| 7 | L | 38.6 | Very low | 47.7 | Very low | 174 Ų | 174 | 122.8 Ų | 122.8 | 91% | 0.911 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | 15.7 | 177.8 | -89.5 | 160.1 | 0 | 0 | 0 | 114.4 | ||
| 8 | K | 37 | Very low | 49.2 | Very low | 170 Ų | 170 | 118.6 Ų | 118.6 | 74% | 0.739 | 65% | 0.646 | S | S | * | * | trans | -117 | 82.7 | 171.2 | -78.7 | -176.8 | 175.5 | 179.1 | 0 | 109.8 | ||||
| 9 | N | 39.3 | Very low | 50.7 | Low | 113 Ų | 113 | 113.4 Ų | 113.4 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | trans | -175.9 | 34.5 | 155.1 | -93.3 | -9.4 | 0 | 0 | 0 | 112 | G11 | N9-G11 PolarHBondContact O-N 2.86Å; N9-G11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | K | 42.7 | Very low | 52.1 | Low | 200 Ų | 200 | 113.8 Ų | 113.8 | 87% | 0.87 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 97.8 | 157.4 | -90.1 | -169.9 | 169.9 | -167.3 | 0 | 106.8 | ||
| 11 | G | 48.3 | Very low | 53.4 | Low | 57 Ų | 57 | 113.4 Ų | 113.4 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.3 | 8.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | N9 | N9-G11 PolarHBondContact O-N 2.86Å; N9-G11 VanDerWaalsContact O-N 3.16Å |
| 12 | S | 50.3 | Low | 55 | Low | 69 Ų | 69 | 101.5 Ų | 101.5 | 48% | 0.483 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -99.6 | -2.1 | -177.9 | 81.2 | 0 | 0 | 0 | 0 | 116 | ||
| 13 | L | 55 | Low | 57.5 | Low | 68 Ų | 68 | 101.7 Ų | 101.7 | 36% | 0.356 | 53% | 0.534 | S | S | . | . | trans | -124.7 | 104.7 | 178.3 | -81.4 | 156.7 | 0 | 0 | 0 | 107.6 | K18 | L13-K18 HydrophobicContact CD2-CG 4.28Š| ||
| 14 | Q | 62.4 | Low | 59.7 | Low | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | trans | -94.6 | 152.4 | 176.4 | -62.1 | -165.2 | 2.1 | 0 | 0 | 110.6 | E16 D17 | Q14-E16 PolarHBondContact O-N 3.18Å; Q14-D17 PolarHBondContact N-OD2 2.93Å; Q14-D17 PolarHBondContact O-N 2.84Å; Q14-D17 VanDerWaalsContact O-N 3.17Å | ||
| 15 | F | 70.6 | Confident | 61.6 | Low | 20 Ų | 20 | 94.1 Ų | 94.1 | 9% | 0.088 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -47.7 | -41.8 | 173 | 165.6 | -97.2 | 0 | 0 | 0 | 112.2 | D17 K18 W19 V50 D54 K60 I61 A64 | F15-D17 VanDerWaalsContact C-N 3.32Å; F15-D17 PolarHBondContact O-N 2.7Å; F15-K18 PolarHBondContact O-N 3Å; F15-W19 HydrophobicContact CD1-CB 4.4Å; F15-W19 HydrophobicContact CD2-CB 4.25Å; F15-W19 HydrophobicContact CE1-CB 4Å; F15-W19 HydrophobicContact CE1-CG 4.02Å; F15-W19 HydrophobicContact CE2-CB 3.81Å; F15-W19 AromaticContact CE2-CD2 3.73Å; F15-W19 HydrophobicContact CE2-CD2 3.73Å; F15-W19 AromaticContact CE2-CE3 3.67Å; F15-W19 HydrophobicContact CE2-CE3 3.67Å; F15-W19 AromaticContact CE2-CG 3.8Å; F15-W19 HydrophobicContact CE2-CG 3.8Å; F15-W19 HydrophobicContact CZ-CB 3.69Å; F15-W19 AromaticContact CZ-CD1 3.88Å; F15-W19 AromaticContact CZ-CD2 3.59Å; F15-W19 HydrophobicContact CZ-CD2 3.59Å; F15-W19 HydrophobicContact CZ-CE3 4.03Å; F15-W19 AromaticContact CZ-CG 3.42Å; F15-W19 HydrophobicContact CZ-CG 3.42Å; F15-W19 VanDerWaalsContact CZ-CG 3.42Å; F15-W19 VanDerWaalsContact O-CB 3.29Å; F15-W19 WeakPolarHBondContact O-CB 3.25Å; F15-W19 PolarHBondContact O-N 2.69Å; F15-V50 HydrophobicContact CB-CG1 4.28Å; F15-V50 HydrophobicContact CD2-CG1 4.18Å; F15-D54 PolarHBondContact N-OD2 3.16Å; F15-K60 HydrophobicContact CB-CB 4.49Å; F15-K60 HydrophobicContact CB-CD 3.88Å; F15-K60 HydrophobicContact CD1-CB 3.88Å; F15-K60 HydrophobicContact CD1-CD 3.67Å; F15-K60 HydrophobicContact CD1-CG 4.4Å; F15-K60 HydrophobicContact CD2-CB 3.83Å; F15-K60 HydrophobicContact CE1-CB 3.99Å; F15-K60 HydrophobicContact CE1-CD 4.38Å; F15-K60 HydrophobicContact CE2-CB 3.96Å; F15-K60 HydrophobicContact CG-CB 3.79Å; F15-K60 HydrophobicContact CG-CD 3.82Å; F15-K60 HydrophobicContact CZ-CB 4.02Å; F15-I61 HydrophobicContact CD2-CG1 3.7Å; F15-I61 HydrophobicContact CE2-CB 4.28Å; F15-I61 HydrophobicContact CE2-CG1 3.56Å; F15-A64 HydrophobicContact CZ-CB 3.98Å |
| 16 | E | 72.6 | Confident | 64 | Low | 84 Ų | 84 | 87.4 Ų | 87.4 | 39% | 0.393 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | -177.4 | -69.7 | 78.5 | -175.2 | 0 | 0 | 113 | Q14 K18 K60 | Q14-E16 PolarHBondContact O-N 3.18Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.21Å; E16-K60 IonicContact OE1-NZ 3.23Å; E16-K60 PolarHBondContact OE1-NZ 3.32Å; E16-K60 IonicContact OE2-NZ 3.74Å; E16-K60 PolarHBondContact OE2-NZ 2.86Å |
| 17 | D | 72.3 | Confident | 66.2 | Low | 103 Ų | 103 | 80.7 Ų | 80.7 | 55% | 0.551 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -75 | -21.7 | -178.1 | -57.8 | -45.7 | 0 | 0 | 0 | 113.3 | Q14 F15 | Q14-D17 PolarHBondContact N-OD2 2.93Å; Q14-D17 PolarHBondContact O-N 2.84Å; Q14-D17 VanDerWaalsContact O-N 3.17Å; F15-D17 VanDerWaalsContact C-N 3.32Å; F15-D17 PolarHBondContact O-N 2.7Å |
| 18 | K | 74.7 | Confident | 68.3 | Low | 47 Ų | 47 | 75.7 Ų | 75.7 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -110.8 | -28.2 | -170.5 | -74.6 | -65.9 | -166.3 | 166.2 | 0 | 112.5 | L13 F15 E16 D20 L21 M22 D46 V50 | L13-K18 HydrophobicContact CD2-CG 4.28Å; F15-K18 PolarHBondContact O-N 3Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.21Å; K18-D20 PolarHBondContact O-N 2.98Å; K18-L21 PolarHBondContact O-N 3.3Å; K18-M22 HydrophobicContact CB-CE 3.62Å; K18-M22 WeakPolarHBondContact O-CE 3.34Å; K18-M22 WeakPolarHBondContact O-CG 3.44Å; K18-M22 PolarHBondContact O-N 3.38Å; K18-M22 VanDerWaalsContact O-N 3.1Å; K18-D46 IonicContact NZ-OD1 3.38Å; K18-D46 PolarHBondContact NZ-OD1 3.34Å; K18-V50 HydrophobicContact CB-CG2 3.7Å; K18-V50 HydrophobicContact CG-CG2 4.19Å |
| 19 | W | 78.6 | Confident | 70.4 | Confident | 20 Ų | 20 | 68 Ų | 68 | 8% | 0.076 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 177.3 | -174.1 | -110.9 | 0 | 0 | 0 | 112.8 | F15 L21 M22 R23 I61 A64 | F15-W19 HydrophobicContact CD1-CB 4.4Å; F15-W19 HydrophobicContact CD2-CB 4.25Å; F15-W19 HydrophobicContact CE1-CB 4Å; F15-W19 HydrophobicContact CE1-CG 4.02Å; F15-W19 HydrophobicContact CE2-CB 3.81Å; F15-W19 AromaticContact CE2-CD2 3.73Å; F15-W19 HydrophobicContact CE2-CD2 3.73Å; F15-W19 AromaticContact CE2-CE3 3.67Å; F15-W19 HydrophobicContact CE2-CE3 3.67Å; F15-W19 AromaticContact CE2-CG 3.8Å; F15-W19 HydrophobicContact CE2-CG 3.8Å; F15-W19 HydrophobicContact CZ-CB 3.69Å; F15-W19 AromaticContact CZ-CD1 3.88Å; F15-W19 AromaticContact CZ-CD2 3.59Å; F15-W19 HydrophobicContact CZ-CD2 3.59Å; F15-W19 HydrophobicContact CZ-CE3 4.03Å; F15-W19 AromaticContact CZ-CG 3.42Å; F15-W19 HydrophobicContact CZ-CG 3.42Å; F15-W19 VanDerWaalsContact CZ-CG 3.42Å; F15-W19 VanDerWaalsContact O-CB 3.29Å; F15-W19 WeakPolarHBondContact O-CB 3.25Å; F15-W19 PolarHBondContact O-N 2.69Å; W19-L21 PolarHBondContact O-N 2.81Å; W19-M22 HydrophobicContact CE3-CB 4.28Å; W19-M22 PolarHBondContact O-N 2.72Å; W19-M22 VanDerWaalsContact O-N 3.11Å; W19-R23 HydrophobicContact CZ2-CB 4.43Å; W19-R23 HydrophobicContact CZ2-CG 4.47Å; W19-R23 VanDerWaalsContact O-CB 3.29Å; W19-R23 WeakPolarHBondContact O-CB 3.5Å; W19-R23 PolarHBondContact O-N 3.23Å; W19-I61 HydrophobicContact CZ3-CG2 4.2Å; W19-A64 HydrophobicContact CD2-CB 4.23Å; W19-A64 VanDerWaalsContact CE2-CB 3.46Å; W19-A64 HydrophobicContact CH2-CB 3.89Å; W19-A64 HydrophobicContact CZ2-CB 3.28Å |
| 20 | D | 78.6 | Confident | 72.4 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 65% | 0.647 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.6 | -27 | 176.7 | -76.9 | -19.8 | 0 | 0 | 0 | 112.9 | K18 P24 | K18-D20 PolarHBondContact O-N 2.98Å; D20-P24 WeakPolarHBondContact O-CD 3.4Å |
| 21 | L | 78 | Confident | 74.2 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 55% | 0.55 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -84.5 | -34.1 | 174.5 | -61.9 | 172.5 | 0 | 0 | 0 | 112.2 | K18 W19 | K18-L21 PolarHBondContact O-N 3.3Å; W19-L21 PolarHBondContact O-N 2.81Å |
| 22 | M | 79.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -77.6 | -42.2 | -180 | -71.7 | -172.7 | -107.4 | 0 | 0 | 113.3 | K18 W19 I25 V26 L43 D46 V47 V50 | K18-M22 HydrophobicContact CB-CE 3.62Å; K18-M22 WeakPolarHBondContact O-CE 3.34Å; K18-M22 WeakPolarHBondContact O-CG 3.44Å; K18-M22 PolarHBondContact O-N 3.38Å; K18-M22 VanDerWaalsContact O-N 3.1Å; W19-M22 HydrophobicContact CE3-CB 4.28Å; W19-M22 PolarHBondContact O-N 2.72Å; W19-M22 VanDerWaalsContact O-N 3.11Å; M22-I25 WeakPolarHBondContact O-CA 3.18Å; M22-I25 WeakPolarHBondContact O-CB 3.45Å; M22-I25 PolarHBondContact O-N 3.25Å; M22-V26 WeakPolarHBondContact O-CG2 3.4Å; M22-V26 PolarHBondContact O-N 2.81Å; M22-L43 HydrophobicContact CB-CD1 3.85Å; M22-L43 HydrophobicContact CG-CD1 3.76Å; M22-L43 HydrophobicContact SD-CD1 4.15Å; M22-D46 HydrophobicContact CE-CB 3.69Å; M22-D46 HydrophobicContact CG-CB 3.83Å; M22-D46 HydrophobicContact SD-CB 3.73Å; M22-V47 HydrophobicContact SD-CG2 3.71Å; M22-V50 HydrophobicContact CE-CB 4.46Å; M22-V50 HydrophobicContact CE-CG2 3.65Å |
| 23 | R | 81.9 | Confident | 77.2 | Confident | 107 Ų | 107 | 61.9 Ų | 61.9 | 40% | 0.404 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.5 | -43.6 | -173 | -174.5 | -179.1 | -171.3 | -160.3 | 1 | 113.8 | W19 I25 V26 L27 D68 | W19-R23 HydrophobicContact CZ2-CB 4.43Å; W19-R23 HydrophobicContact CZ2-CG 4.47Å; W19-R23 VanDerWaalsContact O-CB 3.29Å; W19-R23 WeakPolarHBondContact O-CB 3.5Å; W19-R23 PolarHBondContact O-N 3.23Å; R23-I25 VanDerWaalsContact C-N 3.27Å; R23-I25 PolarHBondContact O-N 2.87Å; R23-V26 PolarHBondContact O-N 3.43Å; R23-L27 HydrophobicContact CG-CD1 4.16Å; R23-L27 HydrophobicContact CG-CG 4.41Å; R23-L27 WeakPolarHBondContact O-CB 3.42Å; R23-L27 WeakPolarHBondContact O-CG 3.45Å; R23-L27 PolarHBondContact O-N 3.44Å; R23-D68 IonicContact CZ-OD1 2.97Å; R23-D68 IonicContact NE-OD1 2.78Å; R23-D68 PolarHBondContact NE-OD1 2.87Å; R23-D68 IonicContact NE-OD2 3.29Å; R23-D68 PolarHBondContact NE-OD2 3.16Å; R23-D68 IonicContact NH2-OD1 2.96Å; R23-D68 PolarHBondContact NH2-OD1 3.15Å |
| 24 | P | 83.3 | Confident | 78.3 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 175.9 | -23.2 | 34.8 | 0 | 0 | 0 | 113.2 | D20 K28 | D20-P24 WeakPolarHBondContact O-CD 3.4Å; P24-K28 WeakPolarHBondContact O-CB 3.46Å; P24-K28 VanDerWaalsContact O-CG 3.26Å; P24-K28 WeakPolarHBondContact O-CG 3.44Å; P24-K28 PolarHBondContact O-N 2.81Å; P24-K28 VanDerWaalsContact O-N 3.08Å |
| 25 | I | 82.5 | Confident | 79.2 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.5 | -41.8 | 177.9 | -52.9 | 174.4 | 0 | 0 | 0 | 109.6 | M22 R23 K28 L29 V35 Q39 L43 | M22-I25 WeakPolarHBondContact O-CA 3.18Å; M22-I25 WeakPolarHBondContact O-CB 3.45Å; M22-I25 PolarHBondContact O-N 3.25Å; R23-I25 VanDerWaalsContact C-N 3.27Å; R23-I25 PolarHBondContact O-N 2.87Å; I25-K28 WeakPolarHBondContact O-CB 3.32Å; I25-K28 PolarHBondContact O-N 3.06Å; I25-L29 WeakPolarHBondContact O-CG 3.31Å; I25-L29 PolarHBondContact O-N 3.4Å; I25-V35 HydrophobicContact CG2-CG1 3.84Å; I25-Q39 HydrophobicContact CD1-CB 4.11Å; I25-Q39 HydrophobicContact CD1-CG 4.3Å; I25-Q39 HydrophobicContact CG1-CB 4.46Å; I25-Q39 HydrophobicContact CG2-CB 4.26Å; I25-L43 HydrophobicContact CG2-CB 4.32Å; I25-L43 HydrophobicContact CG2-CD2 3.9Å |
| 26 | V | 81.8 | Confident | 80 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | M22 R23 K28 L29 L30 L43 L65 L107 F111 | M22-V26 WeakPolarHBondContact O-CG2 3.4Å; M22-V26 PolarHBondContact O-N 2.81Å; R23-V26 PolarHBondContact O-N 3.43Å; V26-K28 PolarHBondContact O-N 3.19Å; V26-L29 PolarHBondContact O-N 2.95Å; V26-L30 HydrophobicContact CG1-CD1 4.21Å; V26-L30 WeakPolarHBondContact O-CG 3.18Å; V26-L30 PolarHBondContact O-N 3.12Å; V26-L43 HydrophobicContact CG2-CD1 4.11Å; V26-L65 HydrophobicContact CG1-CD1 3.72Å; V26-L107 HydrophobicContact CG1-CD1 4.35Å; V26-F111 HydrophobicContact CG2-CE2 4.48Å; V26-F111 HydrophobicContact CG2-CZ 3.84Å |
| 27 | L | 82.5 | Confident | 80.4 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 175.8 | -71.3 | 173.8 | 0 | 0 | 0 | 112.3 | R23 L30 R31 D68 | R23-L27 HydrophobicContact CG-CD1 4.16Å; R23-L27 HydrophobicContact CG-CG 4.41Å; R23-L27 WeakPolarHBondContact O-CB 3.42Å; R23-L27 WeakPolarHBondContact O-CG 3.45Å; R23-L27 PolarHBondContact O-N 3.44Å; L27-L30 PolarHBondContact O-N 3.07Å; L27-R31 WeakPolarHBondContact O-CB 3.38Å; L27-R31 VanDerWaalsContact O-CG 3.3Å; L27-R31 WeakPolarHBondContact O-CG 3.34Å; L27-R31 PolarHBondContact O-N 2.94Å; L27-D68 HydrophobicContact CD2-CB 4.29Å |
| 28 | K | 82.8 | Confident | 80.9 | Confident | 69 Ų | 69 | 69 Ų | 69 | 30% | 0.3 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.1 | -79.9 | 177.2 | 176.3 | -174.1 | 0 | 112 | P24 I25 V26 R31 Q32 E33 V35 | P24-K28 WeakPolarHBondContact O-CB 3.46Å; P24-K28 VanDerWaalsContact O-CG 3.26Å; P24-K28 WeakPolarHBondContact O-CG 3.44Å; P24-K28 PolarHBondContact O-N 2.81Å; P24-K28 VanDerWaalsContact O-N 3.08Å; I25-K28 WeakPolarHBondContact O-CB 3.32Å; I25-K28 PolarHBondContact O-N 3.06Å; V26-K28 PolarHBondContact O-N 3.19Å; K28-R31 PolarHBondContact O-N 3.36Å; K28-Q32 PolarHBondContact O-N 3.01Å; K28-Q32 VanDerWaalsContact O-N 3.14Å; K28-E33 HydrophobicContact CB-CB 4.06Å; K28-E33 HydrophobicContact CG-CB 4.06Å; K28-E33 WeakPolarHBondContact CG-OE2 3.39Å; K28-E33 PolarHBondContact O-N 3.39Å; K28-V35 HydrophobicContact CB-CG2 3.82Å |
| 29 | L | 81.6 | Confident | 81.3 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -52.6 | 174.7 | -68.1 | 172.5 | 0 | 0 | 0 | 110.6 | I25 V26 R31 Q32 V35 W40 L43 Q103 I106 L107 P110 | I25-L29 WeakPolarHBondContact O-CG 3.31Å; I25-L29 PolarHBondContact O-N 3.4Å; V26-L29 PolarHBondContact O-N 2.95Å; L29-R31 PolarHBondContact O-N 3.37Å; L29-Q32 PolarHBondContact O-N 3.36Å; L29-V35 HydrophobicContact CD2-CB 4.22Å; L29-V35 HydrophobicContact CD2-CG2 3.66Å; L29-V35 HydrophobicContact CG-CG2 4.04Å; L29-W40 HydrophobicContact CD1-CH2 4.27Å; L29-W40 HydrophobicContact CD1-CZ2 4.41Å; L29-W40 HydrophobicContact CD2-CH2 3.89Å; L29-W40 HydrophobicContact CD2-CZ2 3.31Å; L29-L43 HydrophobicContact CD1-CD2 3.69Å; L29-Q103 PolarHBondContact O-NE2 3.35Å; L29-Q103 PolarHBondContact O-OE1 3.35Å; L29-I106 HydrophobicContact CD2-CG2 4.28Å; L29-L107 HydrophobicContact CB-CD1 3.99Å; L29-L107 HydrophobicContact CD1-CD1 4.32Å; L29-P110 HydrophobicContact CD1-CG 4.36Å |
| 30 | L | 80.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.4 | -37.7 | 178.1 | -75.4 | 169.6 | 0 | 0 | 0 | 113.2 | V26 L27 Q32 D68 I69 F72 L107 M139 | V26-L30 HydrophobicContact CG1-CD1 4.21Å; V26-L30 WeakPolarHBondContact O-CG 3.18Å; V26-L30 PolarHBondContact O-N 3.12Å; L27-L30 PolarHBondContact O-N 3.07Å; L30-Q32 VanDerWaalsContact C-N 3.33Å; L30-D68 HydrophobicContact CD1-CB 4.27Å; L30-I69 HydrophobicContact CD2-CG1 4.26Å; L30-F72 HydrophobicContact CB-CD2 4.36Å; L30-F72 WeakPolarHBondContact O-CE2 3.39Å; L30-F72 VanDerWaalsContact O-CZ 3.27Å; L30-F72 WeakPolarHBondContact O-CZ 3.33Å; L30-L107 HydrophobicContact CD2-CD2 3.66Å; L30-L107 HydrophobicContact CG-CD1 4.38Å; L30-L107 HydrophobicContact CG-CD2 4.3Å; L30-M139 HydrophobicContact CD2-CE 4.02Å |
| 31 | R | 81.5 | Confident | 81.6 | Confident | 129 Ų | 129 | 71.7 Ų | 71.7 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -0.3 | 179.5 | -67.1 | 176.3 | -174.6 | 177.5 | 3.3 | 114.7 | L27 K28 L29 E33 | L27-R31 WeakPolarHBondContact O-CB 3.38Å; L27-R31 VanDerWaalsContact O-CG 3.3Å; L27-R31 WeakPolarHBondContact O-CG 3.34Å; L27-R31 PolarHBondContact O-N 2.94Å; K28-R31 PolarHBondContact O-N 3.36Å; L29-R31 PolarHBondContact O-N 3.37Å; R31-E33 HydrophobicContact CB-CG 3.98Å; R31-E33 WeakPolarHBondContact CD-OE1 3.49Å; R31-E33 PolarHBondContact O-N 2.7Å |
| 32 | Q | 77.9 | Confident | 81.9 | Confident | 90 Ų | 90 | 69.6 Ų | 69.6 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 30.1 | -173.5 | -35.6 | -158.5 | -47.1 | 0 | 0 | 114 | K28 L29 L30 K99 Q103 | K28-Q32 PolarHBondContact O-N 3.01Å; K28-Q32 VanDerWaalsContact O-N 3.14Å; L29-Q32 PolarHBondContact O-N 3.36Å; L30-Q32 VanDerWaalsContact C-N 3.33Å; Q32-K99 PolarHBondContact NE2-O 3.1Å; Q32-Q103 HydrophobicContact CG-CG 4.06Å; Q32-Q103 VanDerWaalsContact CG-NE2 3.32Å |
| 33 | E | 82.4 | Confident | 82 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 43% | 0.425 | 34% | 0.339 | S | S | . | . | trans | -78.4 | 155.5 | 174.2 | -65.3 | 176.6 | -157.5 | 0 | 0 | 110.7 | K28 R31 V35 | K28-E33 HydrophobicContact CB-CB 4.06Å; K28-E33 HydrophobicContact CG-CB 4.06Å; K28-E33 WeakPolarHBondContact CG-OE2 3.39Å; K28-E33 PolarHBondContact O-N 3.39Å; R31-E33 HydrophobicContact CB-CG 3.98Å; R31-E33 WeakPolarHBondContact CD-OE1 3.49Å; R31-E33 PolarHBondContact O-N 2.7Å; E33-V35 PolarHBondContact O-N 3.48Å | ||
| 34 | A | 77.8 | Confident | 82 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 79% | 0.793 | 34% | 0.339 | S | S | * | . | trans | -66.5 | 121.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 35 | V | 82.4 | Confident | 81.9 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 16% | 0.158 | 34% | 0.339 | C | S | . | . | trans | -111 | 126.2 | 175.8 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | I25 K28 L29 E33 Q39 W40 | I25-V35 HydrophobicContact CG2-CG1 3.84Å; K28-V35 HydrophobicContact CB-CG2 3.82Å; L29-V35 HydrophobicContact CD2-CB 4.22Å; L29-V35 HydrophobicContact CD2-CG2 3.66Å; L29-V35 HydrophobicContact CG-CG2 4.04Å; E33-V35 PolarHBondContact O-N 3.48Å; V35-Q39 HydrophobicContact CG1-CB 3.53Å; V35-W40 HydrophobicContact CG1-CG 4.22Å | ||
| 36 | T | 86.3 | Confident | 81.8 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 47% | 0.466 | 34% | 0.339 | S | S | . | . | trans | -73.5 | 157.6 | -178.6 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | Q38 Q39 W40 | T36-Q38 PolarHBondContact O-N 3.31Å; T36-Q39 PolarHBondContact O-N 3.45Å; T36-Q39 VanDerWaalsContact O-N 3.11Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.47Å; T36-Q39 PolarHBondContact OG1-N 3.39Å; T36-Q39 PolarHBondContact OG1-OE1 3.44Å; T36-W40 PolarHBondContact O-N 2.78Å | ||
| 37 | K | 82.1 | Confident | 81.8 | Confident | 194 Ų | 194 | 68.6 Ų | 68.6 | 84% | 0.843 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -56.2 | -33.6 | 175.9 | -69.7 | -176 | -179.7 | 178.8 | 0 | 112.7 | W40 F41 | K37-W40 PolarHBondContact O-N 3.41Å; K37-F41 PolarHBondContact O-N 3.26Å |
| 38 | Q | 81.9 | Confident | 81.6 | Confident | 142 Ų | 142 | 70.5 Ų | 70.5 | 66% | 0.664 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68 | -47.3 | 176.7 | -170.8 | 167.2 | 0.3 | 0 | 0 | 111.1 | T36 W40 F41 D42 | T36-Q38 PolarHBondContact O-N 3.31Å; Q38-W40 VanDerWaalsContact C-N 3.27Å; Q38-W40 PolarHBondContact O-N 3.26Å; Q38-F41 WeakPolarHBondContact O-CB 3.42Å; Q38-F41 PolarHBondContact O-N 3Å; Q38-D42 WeakPolarHBondContact O-CB 3.45Å; Q38-D42 PolarHBondContact O-N 3.39Å |
| 39 | Q | 83.1 | Confident | 81.4 | Confident | 47 Ų | 47 | 68 Ų | 68 | 22% | 0.22 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -35.6 | 174.7 | -74.4 | 168.9 | -25.6 | 0 | 0 | 113.1 | I25 V35 T36 L43 | I25-Q39 HydrophobicContact CD1-CB 4.11Å; I25-Q39 HydrophobicContact CD1-CG 4.3Å; I25-Q39 HydrophobicContact CG1-CB 4.46Å; I25-Q39 HydrophobicContact CG2-CB 4.26Å; V35-Q39 HydrophobicContact CG1-CB 3.53Å; T36-Q39 PolarHBondContact O-N 3.45Å; T36-Q39 VanDerWaalsContact O-N 3.11Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.47Å; T36-Q39 PolarHBondContact OG1-N 3.39Å; T36-Q39 PolarHBondContact OG1-OE1 3.44Å; Q39-L43 VanDerWaalsContact O-CB 3.29Å; Q39-L43 WeakPolarHBondContact O-CB 3.45Å; Q39-L43 PolarHBondContact O-N 3.5Å |
| 40 | W | 82.5 | Confident | 81.2 | Confident | 56 Ų | 56 | 68 Ų | 68 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -50.4 | 170.9 | -86.5 | 98.8 | 0 | 0 | 0 | 111.5 | L29 V35 T36 K37 Q38 D42 L43 F44 I106 K109 P110 | L29-W40 HydrophobicContact CD1-CH2 4.27Å; L29-W40 HydrophobicContact CD1-CZ2 4.41Å; L29-W40 HydrophobicContact CD2-CH2 3.89Å; L29-W40 HydrophobicContact CD2-CZ2 3.31Å; V35-W40 HydrophobicContact CG1-CG 4.22Å; T36-W40 PolarHBondContact O-N 2.78Å; K37-W40 PolarHBondContact O-N 3.41Å; Q38-W40 VanDerWaalsContact C-N 3.27Å; Q38-W40 PolarHBondContact O-N 3.26Å; W40-D42 VanDerWaalsContact C-N 3.34Å; W40-D42 PolarHBondContact O-N 3.16Å; W40-L43 PolarHBondContact O-N 3.39Å; W40-F44 HydrophobicContact CE3-CD2 4.32Å; W40-F44 AromaticContact CE3-CE2 3.66Å; W40-F44 HydrophobicContact CE3-CE2 3.66Å; W40-F44 HydrophobicContact CE3-CZ 4.46Å; W40-F44 HydrophobicContact CZ3-CE2 4.19Å; W40-F44 WeakPolarHBondContact O-CD2 3.44Å; W40-F44 PolarHBondContact O-N 3.48Å; W40-I106 HydrophobicContact CH2-CG2 3.63Å; W40-I106 HydrophobicContact CZ2-CG2 3.75Å; W40-K109 HydrophobicContact CZ3-CB 4.09Å; W40-P110 HydrophobicContact CE3-CG 3.88Å; W40-P110 HydrophobicContact CH2-CG 4.22Å; W40-P110 HydrophobicContact CZ3-CG 3.38Å |
| 41 | F | 82.5 | Confident | 81 | Confident | 142 Ų | 142 | 68.3 Ų | 68.3 | 62% | 0.623 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 179.2 | -176.3 | -93.4 | 0 | 0 | 0 | 112.3 | K37 Q38 F44 S45 | K37-F41 PolarHBondContact O-N 3.26Å; Q38-F41 WeakPolarHBondContact O-CB 3.42Å; Q38-F41 PolarHBondContact O-N 3Å; F41-F44 PolarHBondContact O-N 3.18Å; F41-S45 VanDerWaalsContact O-CB 3.32Å; F41-S45 WeakPolarHBondContact O-CB 3.49Å; F41-S45 PolarHBondContact O-N 3.23Å |
| 42 | D | 82.8 | Confident | 80.7 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 177.4 | -62.2 | -23.9 | 0 | 0 | 0 | 110.2 | Q38 W40 F44 S45 D46 | Q38-D42 WeakPolarHBondContact O-CB 3.45Å; Q38-D42 PolarHBondContact O-N 3.39Å; W40-D42 VanDerWaalsContact C-N 3.34Å; W40-D42 PolarHBondContact O-N 3.16Å; D42-F44 PolarHBondContact O-N 2.93Å; D42-S45 PolarHBondContact O-N 3.32Å; D42-D46 VanDerWaalsContact O-CB 3.28Å; D42-D46 WeakPolarHBondContact O-CB 3.34Å; D42-D46 VanDerWaalsContact O-CG 3.29Å; D42-D46 PolarHBondContact O-N 3.29Å |
| 43 | L | 82.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 176.3 | -174.2 | 64.5 | 0 | 0 | 0 | 112.4 | M22 I25 V26 L29 Q39 W40 V47 P110 | M22-L43 HydrophobicContact CB-CD1 3.85Å; M22-L43 HydrophobicContact CG-CD1 3.76Å; M22-L43 HydrophobicContact SD-CD1 4.15Å; I25-L43 HydrophobicContact CG2-CB 4.32Å; I25-L43 HydrophobicContact CG2-CD2 3.9Å; V26-L43 HydrophobicContact CG2-CD1 4.11Å; L29-L43 HydrophobicContact CD1-CD2 3.69Å; Q39-L43 VanDerWaalsContact O-CB 3.29Å; Q39-L43 WeakPolarHBondContact O-CB 3.45Å; Q39-L43 PolarHBondContact O-N 3.5Å; W40-L43 PolarHBondContact O-N 3.39Å; L43-V47 HydrophobicContact CD1-CG2 4.17Å; L43-V47 HydrophobicContact CG-CG2 4.45Å; L43-V47 WeakPolarHBondContact O-CB 3.49Å; L43-V47 WeakPolarHBondContact O-CG2 3.49Å; L43-V47 PolarHBondContact O-N 3.09Å; L43-P110 HydrophobicContact CD2-CB 3.66Å; L43-P110 HydrophobicContact CD2-CG 3.53Å; L43-P110 HydrophobicContact CG-CB 3.76Å; L43-P110 HydrophobicContact CG-CG 4.2Å |
| 44 | F | 81.8 | Confident | 79.8 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 40% | 0.404 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 174.2 | -87.2 | -76.3 | 0 | 0 | 0 | 112 | W40 F41 D42 H48 K109 P110 | W40-F44 HydrophobicContact CE3-CD2 4.32Å; W40-F44 AromaticContact CE3-CE2 3.66Å; W40-F44 HydrophobicContact CE3-CE2 3.66Å; W40-F44 HydrophobicContact CE3-CZ 4.46Å; W40-F44 HydrophobicContact CZ3-CE2 4.19Å; W40-F44 WeakPolarHBondContact O-CD2 3.44Å; W40-F44 PolarHBondContact O-N 3.48Å; F41-F44 PolarHBondContact O-N 3.18Å; D42-F44 PolarHBondContact O-N 2.93Å; F44-H48 VanDerWaalsContact O-CB 3.28Å; F44-H48 WeakPolarHBondContact O-CB 3.4Å; F44-H48 PolarHBondContact O-N 3.31Å; F44-K109 WeakPolarHBondContact CE1-O 3.35Å; F44-K109 HydrophobicContact CZ-CB 4.35Å; F44-K109 WeakPolarHBondContact CZ-O 3.23Å; F44-P110 VanDerWaalsContact CE1-CA 3.49Å |
| 45 | S | 81.7 | Confident | 79.3 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 42% | 0.42 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | -179 | -178 | 0 | 0 | 0 | 0 | 111.6 | F41 D42 H48 A49 | F41-S45 VanDerWaalsContact O-CB 3.32Å; F41-S45 WeakPolarHBondContact O-CB 3.49Å; F41-S45 PolarHBondContact O-N 3.23Å; D42-S45 PolarHBondContact O-N 3.32Å; S45-H48 PolarHBondContact O-N 3.31Å; S45-A49 WeakPolarHBondContact O-CB 3.3Å; S45-A49 PolarHBondContact O-N 3.5Å |
| 46 | D | 80.9 | Confident | 79 | Confident | 17 Ų | 17 | 74.9 Ų | 74.9 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.5 | -40 | -177.6 | -73.9 | -27.6 | 0 | 0 | 0 | 111.9 | K18 M22 D42 H48 A49 V50 | K18-D46 IonicContact NZ-OD1 3.38Å; K18-D46 PolarHBondContact NZ-OD1 3.34Å; M22-D46 HydrophobicContact CE-CB 3.69Å; M22-D46 HydrophobicContact CG-CB 3.83Å; M22-D46 HydrophobicContact SD-CB 3.73Å; D42-D46 VanDerWaalsContact O-CB 3.28Å; D42-D46 WeakPolarHBondContact O-CB 3.34Å; D42-D46 VanDerWaalsContact O-CG 3.29Å; D42-D46 PolarHBondContact O-N 3.29Å; D46-H48 VanDerWaalsContact C-N 3.34Å; D46-H48 PolarHBondContact O-N 3.12Å; D46-A49 PolarHBondContact O-N 3.03Å; D46-V50 WeakPolarHBondContact O-CG2 3.47Å; D46-V50 PolarHBondContact O-N 3.37Å |
| 47 | V | 80.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 171.9 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | M22 L43 C51 F111 L114 | M22-V47 HydrophobicContact SD-CG2 3.71Å; L43-V47 HydrophobicContact CD1-CG2 4.17Å; L43-V47 HydrophobicContact CG-CG2 4.45Å; L43-V47 WeakPolarHBondContact O-CB 3.49Å; L43-V47 WeakPolarHBondContact O-CG2 3.49Å; L43-V47 PolarHBondContact O-N 3.09Å; V47-C51 VanDerWaalsContact O-CB 3.31Å; V47-C51 WeakPolarHBondContact O-CB 3.49Å; V47-C51 PolarHBondContact O-N 3.46Å; V47-C51 PolarHBondContact O-SG 3.4Å; V47-F111 HydrophobicContact CG1-CD1 3.92Å; V47-F111 HydrophobicContact CG2-CD1 3.82Å; V47-F111 HydrophobicContact CG2-CE1 3.63Å; V47-F111 HydrophobicContact CG2-CZ 4.4Å; V47-L114 HydrophobicContact CG1-CB 4.42Å |
| 48 | H | 79.2 | Confident | 78.1 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 39% | 0.389 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.2 | -177.8 | -81.5 | 0 | 0 | 0 | 111.9 | F44 S45 D46 L52 Q113 | F44-H48 VanDerWaalsContact O-CB 3.28Å; F44-H48 WeakPolarHBondContact O-CB 3.4Å; F44-H48 PolarHBondContact O-N 3.31Å; S45-H48 PolarHBondContact O-N 3.31Å; D46-H48 VanDerWaalsContact C-N 3.34Å; D46-H48 PolarHBondContact O-N 3.12Å; H48-L52 VanDerWaalsContact O-CB 3.32Å; H48-L52 WeakPolarHBondContact O-CB 3.35Å; H48-L52 PolarHBondContact O-N 2.94Å; H48-Q113 HydrophobicContact CB-CG 4.32Å |
| 49 | A | 78.3 | Confident | 77.9 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -50.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S45 D46 C51 L52 W53 | S45-A49 WeakPolarHBondContact O-CB 3.3Å; S45-A49 PolarHBondContact O-N 3.5Å; D46-A49 PolarHBondContact O-N 3.03Å; A49-C51 VanDerWaalsContact C-N 3.29Å; A49-C51 PolarHBondContact O-N 3.16Å; A49-L52 PolarHBondContact O-N 2.92Å; A49-L52 VanDerWaalsContact O-N 3.13Å; A49-W53 WeakPolarHBondContact O-CB 3.43Å; A49-W53 PolarHBondContact O-N 2.86Å |
| 50 | V | 77.5 | Confident | 77.7 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.7 | -34.2 | -178.9 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | F15 K18 M22 D46 L52 D54 I61 | F15-V50 HydrophobicContact CB-CG1 4.28Å; F15-V50 HydrophobicContact CD2-CG1 4.18Å; K18-V50 HydrophobicContact CB-CG2 3.7Å; K18-V50 HydrophobicContact CG-CG2 4.19Å; M22-V50 HydrophobicContact CE-CB 4.46Å; M22-V50 HydrophobicContact CE-CG2 3.65Å; D46-V50 WeakPolarHBondContact O-CG2 3.47Å; D46-V50 PolarHBondContact O-N 3.37Å; V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 3.5Å; V50-D54 PolarHBondContact O-N 3.19Å; V50-I61 HydrophobicContact CB-CD1 3.83Å; V50-I61 HydrophobicContact CG1-CD1 3.5Å; V50-I61 VanDerWaalsContact CG1-CD1 3.5Å; V50-I61 HydrophobicContact CG1-CG1 4.12Å |
| 51 | C | 75.8 | Confident | 77.6 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.054 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.5 | -17.5 | 176.6 | -67 | 0 | 0 | 0 | 0 | 114.4 | V47 A49 P58 Q113 | V47-C51 VanDerWaalsContact O-CB 3.31Å; V47-C51 WeakPolarHBondContact O-CB 3.49Å; V47-C51 PolarHBondContact O-N 3.46Å; V47-C51 PolarHBondContact O-SG 3.4Å; A49-C51 VanDerWaalsContact C-N 3.29Å; A49-C51 PolarHBondContact O-N 3.16Å; C51-P58 HydrophobicContact CB-CG 4.41Å; C51-Q113 HydrophobicContact CB-CG 4.26Å |
| 52 | L | 74.5 | Confident | 77.5 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -107.9 | -27 | -173.3 | -153 | 130.8 | 0 | 0 | 0 | 113.1 | H48 A49 V50 | H48-L52 VanDerWaalsContact O-CB 3.32Å; H48-L52 WeakPolarHBondContact O-CB 3.35Å; H48-L52 PolarHBondContact O-N 2.94Å; A49-L52 PolarHBondContact O-N 2.92Å; A49-L52 VanDerWaalsContact O-N 3.13Å; V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 3.5Å |
| 53 | W | 69.5 | Low | 77.4 | Confident | 129 Ų | 129 | 55.2 Ų | 55.2 | 49% | 0.489 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -109.6 | -16.6 | -173 | -61.2 | 104.6 | 0 | 0 | 0 | 114.6 | A49 | A49-W53 WeakPolarHBondContact O-CB 3.43Å; A49-W53 PolarHBondContact O-N 2.86Å |
| 54 | D | 72 | Confident | 77.4 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | trans | -116.8 | 113.9 | 175.3 | -178.5 | -1.9 | 0 | 0 | 0 | 110.7 | F15 V50 K56 G57 P58 | F15-D54 PolarHBondContact N-OD2 3.16Å; V50-D54 PolarHBondContact O-N 3.19Å; D54-K56 PolarHBondContact O-N 3.05Å; D54-K56 PolarHBondContact OD1-N 3.01Å; D54-G57 PolarHBondContact O-N 3.2Å; D54-G57 PolarHBondContact OD1-N 3.35Å; D54-G57 WeakPolarHBondContact OD2-CA 3.17Å; D54-G57 PolarHBondContact OD2-N 2.95Å; D54-P58 VanDerWaalsContact O-CD 3.27Å; D54-P58 WeakPolarHBondContact O-CD 3.16Å | ||
| 55 | D | 67.9 | Low | 77.4 | Confident | 166 Ų | 166 | 51.5 Ų | 51.5 | 89% | 0.888 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.7 | 179.8 | -68.4 | -30.7 | 0 | 0 | 0 | 112.8 | ||
| 56 | K | 75.2 | Confident | 77.5 | Confident | 153 Ų | 153 | 53.5 Ų | 53.5 | 67% | 0.665 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -6.1 | 174.1 | -66.7 | -176.1 | -179.8 | 179.1 | 0 | 113 | D54 A59 K60 | D54-K56 PolarHBondContact O-N 3.05Å; D54-K56 PolarHBondContact OD1-N 3.01Å; K56-A59 PolarHBondContact O-N 3.06Å; K56-K60 WeakPolarHBondContact O-CG 3.23Å; K56-K60 PolarHBondContact O-N 3.41Å; K56-K60 VanDerWaalsContact O-N 3.13Å |
| 57 | G | 73.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.4 | -49.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D54 A59 K60 I61 | D54-G57 PolarHBondContact O-N 3.2Å; D54-G57 PolarHBondContact OD1-N 3.35Å; D54-G57 WeakPolarHBondContact OD2-CA 3.17Å; D54-G57 PolarHBondContact OD2-N 2.95Å; G57-A59 PolarHBondContact O-N 3.01Å; G57-K60 PolarHBondContact O-N 3.13Å; G57-I61 WeakPolarHBondContact O-CG1 3.28Å; G57-I61 PolarHBondContact O-N 3.1Å |
| 58 | P | 76.9 | Confident | 77.8 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.9 | -43.2 | 178.4 | -28.4 | 34.9 | 0 | 0 | 0 | 114.3 | C51 D54 H62 L114 T117 L118 | C51-P58 HydrophobicContact CB-CG 4.41Å; D54-P58 VanDerWaalsContact O-CD 3.27Å; D54-P58 WeakPolarHBondContact O-CD 3.16Å; P58-H62 WeakPolarHBondContact O-CB 3.43Å; P58-H62 PolarHBondContact O-N 3.2Å; P58-L114 VanDerWaalsContact CA-CD1 3.47Å; P58-L114 HydrophobicContact CB-CD1 3.79Å; P58-L114 WeakPolarHBondContact O-CD1 3.49Å; P58-T117 HydrophobicContact CB-CG2 4.49Å; P58-T117 HydrophobicContact CG-CG2 3.76Å; P58-L118 HydrophobicContact CB-CD2 3.73Å; P58-L118 HydrophobicContact CB-CG 4.03Å |
| 59 | A | 77.3 | Confident | 78.1 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 51% | 0.512 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K56 G57 H62 Q63 | K56-A59 PolarHBondContact O-N 3.06Å; G57-A59 PolarHBondContact O-N 3.01Å; A59-H62 PolarHBondContact O-N 3.25Å; A59-Q63 WeakPolarHBondContact O-CB 3.25Å; A59-Q63 PolarHBondContact O-N 3.32Å |
| 60 | K | 79.8 | Confident | 78.3 | Confident | 65 Ų | 65 | 56.1 Ų | 56.1 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 176.2 | -71.5 | -177.4 | 179.1 | -177.1 | 0 | 112.5 | F15 E16 K56 G57 H62 Q63 A64 | F15-K60 HydrophobicContact CB-CB 4.49Å; F15-K60 HydrophobicContact CB-CD 3.88Å; F15-K60 HydrophobicContact CD1-CB 3.88Å; F15-K60 HydrophobicContact CD1-CD 3.67Å; F15-K60 HydrophobicContact CD1-CG 4.4Å; F15-K60 HydrophobicContact CD2-CB 3.83Å; F15-K60 HydrophobicContact CE1-CB 3.99Å; F15-K60 HydrophobicContact CE1-CD 4.38Å; F15-K60 HydrophobicContact CE2-CB 3.96Å; F15-K60 HydrophobicContact CG-CB 3.79Å; F15-K60 HydrophobicContact CG-CD 3.82Å; F15-K60 HydrophobicContact CZ-CB 4.02Å; E16-K60 IonicContact OE1-NZ 3.23Å; E16-K60 PolarHBondContact OE1-NZ 3.32Å; E16-K60 IonicContact OE2-NZ 3.74Å; E16-K60 PolarHBondContact OE2-NZ 2.86Å; K56-K60 WeakPolarHBondContact O-CG 3.23Å; K56-K60 PolarHBondContact O-N 3.41Å; K56-K60 VanDerWaalsContact O-N 3.13Å; G57-K60 PolarHBondContact O-N 3.13Å; K60-H62 VanDerWaalsContact C-N 3.35Å; K60-H62 PolarHBondContact O-N 3.01Å; K60-Q63 PolarHBondContact O-N 2.83Å; K60-A64 WeakPolarHBondContact O-CB 3.33Å; K60-A64 PolarHBondContact O-N 3.4Å |
| 61 | I | 79.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -47.6 | 173.8 | -70.2 | 171.6 | 0 | 0 | 0 | 110.3 | F15 W19 V50 G57 Q63 A64 L65 F111 L114 | F15-I61 HydrophobicContact CD2-CG1 3.7Å; F15-I61 HydrophobicContact CE2-CB 4.28Å; F15-I61 HydrophobicContact CE2-CG1 3.56Å; W19-I61 HydrophobicContact CZ3-CG2 4.2Å; V50-I61 HydrophobicContact CB-CD1 3.83Å; V50-I61 HydrophobicContact CG1-CD1 3.5Å; V50-I61 VanDerWaalsContact CG1-CD1 3.5Å; V50-I61 HydrophobicContact CG1-CG1 4.12Å; G57-I61 WeakPolarHBondContact O-CG1 3.28Å; G57-I61 PolarHBondContact O-N 3.1Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 3.48Å; I61-A64 PolarHBondContact O-N 3.35Å; I61-L65 WeakPolarHBondContact O-CB 3.44Å; I61-L65 PolarHBondContact O-N 3.37Å; I61-F111 HydrophobicContact CG2-CD1 4.12Å; I61-F111 HydrophobicContact CG2-CE1 3.87Å; I61-L114 HydrophobicContact CB-CD1 4.05Å; I61-L114 HydrophobicContact CD1-CD1 4.41Å; I61-L114 HydrophobicContact CG2-CD1 4.05Å; I61-L114 HydrophobicContact CG2-CD2 3.79Å |
| 62 | H | 79.9 | Confident | 79.1 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 180 | -178.9 | -89.4 | 0 | 0 | 0 | 112.3 | P58 A59 K60 K66 L118 | P58-H62 WeakPolarHBondContact O-CB 3.43Å; P58-H62 PolarHBondContact O-N 3.2Å; A59-H62 PolarHBondContact O-N 3.25Å; K60-H62 VanDerWaalsContact C-N 3.35Å; K60-H62 PolarHBondContact O-N 3.01Å; H62-K66 WeakPolarHBondContact O-CB 3.22Å; H62-K66 PolarHBondContact O-N 2.97Å; H62-L118 HydrophobicContact CB-CD1 4.44Å |
| 63 | Q | 81.7 | Confident | 79.6 | Confident | 117 Ų | 117 | 55.9 Ų | 55.9 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.9 | -46.3 | 177 | -177.1 | 172.7 | -4.7 | 0 | 0 | 112.4 | A59 K60 I61 L65 K66 E67 | A59-Q63 WeakPolarHBondContact O-CB 3.25Å; A59-Q63 PolarHBondContact O-N 3.32Å; K60-Q63 PolarHBondContact O-N 2.83Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 3.48Å; Q63-L65 VanDerWaalsContact C-N 3.33Å; Q63-L65 PolarHBondContact O-N 2.97Å; Q63-K66 WeakPolarHBondContact O-CB 3.43Å; Q63-K66 PolarHBondContact O-N 3.48Å; Q63-E67 PolarHBondContact O-N 2.95Å; Q63-E67 VanDerWaalsContact O-N 3.13Å |
| 64 | A | 82.3 | Confident | 80.3 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 12% | 0.116 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F15 W19 K60 I61 K66 E67 D68 | F15-A64 HydrophobicContact CZ-CB 3.98Å; W19-A64 HydrophobicContact CD2-CB 4.23Å; W19-A64 VanDerWaalsContact CE2-CB 3.46Å; W19-A64 HydrophobicContact CH2-CB 3.89Å; W19-A64 HydrophobicContact CZ2-CB 3.28Å; K60-A64 WeakPolarHBondContact O-CB 3.33Å; K60-A64 PolarHBondContact O-N 3.4Å; I61-A64 PolarHBondContact O-N 3.35Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.2Å; A64-E67 PolarHBondContact O-N 2.81Å; A64-D68 PolarHBondContact O-N 3.29Å; A64-D68 VanDerWaalsContact O-N 3.09Å |
| 65 | L | 81.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 173.1 | -170.2 | 68.5 | 0 | 0 | 0 | 111.7 | V26 I61 Q63 E67 D68 I69 L107 F111 V135 | V26-L65 HydrophobicContact CG1-CD1 3.72Å; I61-L65 WeakPolarHBondContact O-CB 3.44Å; I61-L65 PolarHBondContact O-N 3.37Å; Q63-L65 VanDerWaalsContact C-N 3.33Å; Q63-L65 PolarHBondContact O-N 2.97Å; L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 3.11Å; L65-D68 PolarHBondContact O-N 3.42Å; L65-I69 HydrophobicContact CD1-CD1 4.35Å; L65-I69 HydrophobicContact CD2-CD1 4.35Å; L65-I69 HydrophobicContact CG-CD1 3.76Å; L65-I69 HydrophobicContact CG-CG1 4.44Å; L65-I69 WeakPolarHBondContact O-CB 3.42Å; L65-I69 WeakPolarHBondContact O-CD1 3.44Å; L65-I69 WeakPolarHBondContact O-CG1 3.27Å; L65-I69 PolarHBondContact O-N 3Å; L65-L107 HydrophobicContact CD1-CD2 4.33Å; L65-F111 HydrophobicContact CD1-CE2 4.34Å; L65-F111 HydrophobicContact CD1-CZ 4.19Å; L65-V135 HydrophobicContact CD2-CB 4.26Å; L65-V135 HydrophobicContact CD2-CG1 3.63Å; L65-V135 HydrophobicContact CD2-CG2 3.66Å |
| 66 | K | 82.3 | Confident | 81.7 | Confident | 101 Ų | 101 | 49.6 Ų | 49.6 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.5 | -175.3 | 175.1 | -174.1 | -176.5 | 0 | 111.9 | H62 Q63 A64 L70 L138 | H62-K66 WeakPolarHBondContact O-CB 3.22Å; H62-K66 PolarHBondContact O-N 2.97Å; Q63-K66 WeakPolarHBondContact O-CB 3.43Å; Q63-K66 PolarHBondContact O-N 3.48Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.2Å; K66-L70 VanDerWaalsContact O-CB 3.23Å; K66-L70 WeakPolarHBondContact O-CB 3.44Å; K66-L70 PolarHBondContact O-N 2.92Å; K66-L138 HydrophobicContact CB-CD2 3.88Å; K66-L138 HydrophobicContact CD-CD1 4.11Å; K66-L138 HydrophobicContact CG-CD1 4.04Å; K66-L138 HydrophobicContact CG-CD2 4.24Å |
| 67 | E | 84.1 | Confident | 82.1 | Confident | 113 Ų | 113 | 44.6 Ų | 44.6 | 53% | 0.528 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -49.5 | 179 | -70.9 | 174.6 | -172.5 | 0 | 0 | 111.6 | Q63 A64 L65 I69 L70 D71 | Q63-E67 PolarHBondContact O-N 2.95Å; Q63-E67 VanDerWaalsContact O-N 3.13Å; A64-E67 PolarHBondContact O-N 2.81Å; L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 3.11Å; E67-I69 VanDerWaalsContact C-N 3.34Å; E67-I69 PolarHBondContact O-N 3.04Å; E67-L70 PolarHBondContact O-N 2.91Å; E67-D71 PolarHBondContact O-N 3.49Å |
| 68 | D | 84.5 | Confident | 82.6 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 179.6 | -75 | -30 | 0 | 0 | 0 | 112.1 | R23 L27 L30 A64 L65 F72 | R23-D68 IonicContact CZ-OD1 2.97Å; R23-D68 IonicContact NE-OD1 2.78Å; R23-D68 PolarHBondContact NE-OD1 2.87Å; R23-D68 IonicContact NE-OD2 3.29Å; R23-D68 PolarHBondContact NE-OD2 3.16Å; R23-D68 IonicContact NH2-OD1 2.96Å; R23-D68 PolarHBondContact NH2-OD1 3.15Å; L27-D68 HydrophobicContact CD2-CB 4.29Å; L30-D68 HydrophobicContact CD1-CB 4.27Å; A64-D68 PolarHBondContact O-N 3.29Å; A64-D68 VanDerWaalsContact O-N 3.09Å; L65-D68 PolarHBondContact O-N 3.42Å; D68-F72 PolarHBondContact O-N 3.36Å; D68-F72 VanDerWaalsContact O-N 3.14Å |
| 69 | I | 84.2 | Confident | 83 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 172.8 | -72.8 | 165 | 0 | 0 | 0 | 110.8 | L30 L65 E67 D71 F72 I73 L107 L138 M139 | L30-I69 HydrophobicContact CD2-CG1 4.26Å; L65-I69 HydrophobicContact CD1-CD1 4.35Å; L65-I69 HydrophobicContact CD2-CD1 4.35Å; L65-I69 HydrophobicContact CG-CD1 3.76Å; L65-I69 HydrophobicContact CG-CG1 4.44Å; L65-I69 WeakPolarHBondContact O-CB 3.42Å; L65-I69 WeakPolarHBondContact O-CD1 3.44Å; L65-I69 WeakPolarHBondContact O-CG1 3.27Å; L65-I69 PolarHBondContact O-N 3Å; E67-I69 VanDerWaalsContact C-N 3.34Å; E67-I69 PolarHBondContact O-N 3.04Å; I69-D71 PolarHBondContact O-N 3.48Å; I69-F72 PolarHBondContact O-N 3Å; I69-I73 HydrophobicContact CG2-CD1 3.59Å; I69-I73 HydrophobicContact CG2-CG1 4.35Å; I69-I73 VanDerWaalsContact O-CG1 3.27Å; I69-I73 WeakPolarHBondContact O-CG1 3.42Å; I69-I73 PolarHBondContact O-N 2.86Å; I69-L107 HydrophobicContact CD1-CD2 4.29Å; I69-L107 HydrophobicContact CG1-CD2 4.37Å; I69-L138 HydrophobicContact CD1-CD2 4.22Å; I69-M139 HydrophobicContact CD1-CG 3.57Å; I69-M139 HydrophobicContact CG1-CG 4.12Å; I69-M139 HydrophobicContact CG2-CG 4.12Å |
| 70 | L | 84.3 | Confident | 83.2 | Confident | 53 Ų | 53 | 51 Ų | 51 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.8 | -39.5 | -177.5 | -170.8 | 151 | 0 | 0 | 0 | 111.5 | K66 E67 I73 K74 T142 | K66-L70 VanDerWaalsContact O-CB 3.23Å; K66-L70 WeakPolarHBondContact O-CB 3.44Å; K66-L70 PolarHBondContact O-N 2.92Å; E67-L70 PolarHBondContact O-N 2.91Å; L70-I73 PolarHBondContact O-N 3.06Å; L70-K74 HydrophobicContact CD2-CD 3.81Å; L70-K74 HydrophobicContact CD2-CG 4.31Å; L70-K74 WeakPolarHBondContact O-CG 3.5Å; L70-K74 PolarHBondContact O-N 3.09Å; L70-T142 HydrophobicContact CB-CG2 4.33Å; L70-T142 HydrophobicContact CG-CG2 4.34Å |
| 71 | D | 84.6 | Confident | 83.4 | Confident | 80 Ų | 80 | 52.1 Ų | 52.1 | 43% | 0.428 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 174.6 | -79.7 | -11.3 | 0 | 0 | 0 | 112.3 | E67 I69 K74 Q75 | E67-D71 PolarHBondContact O-N 3.49Å; I69-D71 PolarHBondContact O-N 3.48Å; D71-K74 PolarHBondContact O-N 3.34Å; D71-Q75 WeakPolarHBondContact O-CG 3.03Å; D71-Q75 PolarHBondContact O-N 3.48Å; D71-Q75 VanDerWaalsContact O-N 3.16Å |
| 72 | F | 84.9 | Confident | 83.5 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -44 | 173.5 | 177.7 | -98.7 | 0 | 0 | 0 | 111.9 | L30 D68 I69 Q75 A76 F100 | L30-F72 HydrophobicContact CB-CD2 4.36Å; L30-F72 WeakPolarHBondContact O-CE2 3.39Å; L30-F72 VanDerWaalsContact O-CZ 3.27Å; L30-F72 WeakPolarHBondContact O-CZ 3.33Å; D68-F72 PolarHBondContact O-N 3.36Å; D68-F72 VanDerWaalsContact O-N 3.14Å; I69-F72 PolarHBondContact O-N 3Å; F72-Q75 WeakPolarHBondContact O-CB 3.37Å; F72-Q75 PolarHBondContact O-N 3.41Å; F72-A76 PolarHBondContact O-N 2.89Å; F72-F100 HydrophobicContact CE1-CD2 4.33Å |
| 73 | I | 84.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 179.5 | -68.6 | 171.1 | 0 | 0 | 0 | 111.2 | I69 L70 Q75 A76 Q77 F100 T142 W143 I147 | I69-I73 HydrophobicContact CG2-CD1 3.59Å; I69-I73 HydrophobicContact CG2-CG1 4.35Å; I69-I73 VanDerWaalsContact O-CG1 3.27Å; I69-I73 WeakPolarHBondContact O-CG1 3.42Å; I69-I73 PolarHBondContact O-N 2.86Å; L70-I73 PolarHBondContact O-N 3.06Å; I73-Q75 VanDerWaalsContact C-N 3.31Å; I73-Q75 PolarHBondContact O-N 2.92Å; I73-A76 PolarHBondContact O-N 3.11Å; I73-Q77 WeakPolarHBondContact O-CB 3.34Å; I73-Q77 PolarHBondContact O-N 3.16Å; I73-F100 HydrophobicContact CD1-CE2 4.06Å; I73-F100 HydrophobicContact CG1-CE2 4.26Å; I73-T142 HydrophobicContact CD1-CG2 3.52Å; I73-W143 HydrophobicContact CD1-CB 4.37Å; I73-W143 HydrophobicContact CG1-CE3 4.15Å; I73-W143 HydrophobicContact CG2-CE3 4.43Å; I73-I147 HydrophobicContact CG2-CD1 3.97Å; I73-I147 HydrophobicContact CG2-CG1 4.15Å |
| 74 | K | 84.8 | Confident | 83.2 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 173 | -79.1 | 175.9 | 175.6 | 164 | 0 | 112.9 | L70 D71 Q77 T78 | L70-K74 HydrophobicContact CD2-CD 3.81Å; L70-K74 HydrophobicContact CD2-CG 4.31Å; L70-K74 WeakPolarHBondContact O-CG 3.5Å; L70-K74 PolarHBondContact O-N 3.09Å; D71-K74 PolarHBondContact O-N 3.34Å; K74-Q77 WeakPolarHBondContact O-CB 3.42Å; K74-Q77 PolarHBondContact O-N 2.93Å; K74-T78 PolarHBondContact O-N 2.94Å; K74-T78 PolarHBondContact O-OG1 3.14Å |
| 75 | Q | 84.6 | Confident | 83.3 | Confident | 90 Ų | 90 | 64 Ų | 64 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 174.5 | -68.5 | 175.1 | 19.2 | 0 | 0 | 111.3 | D71 F72 I73 T78 R79 | D71-Q75 WeakPolarHBondContact O-CG 3.03Å; D71-Q75 PolarHBondContact O-N 3.48Å; D71-Q75 VanDerWaalsContact O-N 3.16Å; F72-Q75 WeakPolarHBondContact O-CB 3.37Å; F72-Q75 PolarHBondContact O-N 3.41Å; I73-Q75 VanDerWaalsContact C-N 3.31Å; I73-Q75 PolarHBondContact O-N 2.92Å; Q75-T78 PolarHBondContact O-N 3.36Å; Q75-R79 WeakPolarHBondContact O-CG 3.44Å; Q75-R79 PolarHBondContact O-N 3.5Å; Q75-R79 VanDerWaalsContact O-N 3.16Å |
| 76 | A | 83.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F72 I73 T78 R79 V80 W143 I147 | F72-A76 PolarHBondContact O-N 2.89Å; I73-A76 PolarHBondContact O-N 3.11Å; A76-T78 VanDerWaalsContact C-N 3.33Å; A76-T78 PolarHBondContact O-N 3.31Å; A76-R79 PolarHBondContact O-N 2.99Å; A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 3.08Å; A76-W143 HydrophobicContact CB-CH2 4.22Å; A76-W143 HydrophobicContact CB-CZ3 3.97Å; A76-I147 HydrophobicContact CB-CD1 4.1Å |
| 77 | Q | 84.9 | Confident | 83 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 23% | 0.229 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56 | -46.7 | 175.8 | -174.5 | -170.9 | 32.3 | 0 | 0 | 111.3 | I73 K74 R79 V80 L81 S146 I147 | I73-Q77 WeakPolarHBondContact O-CB 3.34Å; I73-Q77 PolarHBondContact O-N 3.16Å; K74-Q77 WeakPolarHBondContact O-CB 3.42Å; K74-Q77 PolarHBondContact O-N 2.93Å; Q77-R79 VanDerWaalsContact C-N 3.34Å; Q77-R79 PolarHBondContact O-N 3.42Å; Q77-V80 PolarHBondContact O-N 2.93Å; Q77-L81 HydrophobicContact CG-CD1 3.63Å; Q77-L81 HydrophobicContact CG-CG 4.24Å; Q77-L81 WeakPolarHBondContact O-CB 3.44Å; Q77-L81 WeakPolarHBondContact O-CG 3.43Å; Q77-L81 PolarHBondContact O-N 3.05Å; Q77-S146 PolarHBondContact NE2-O 3.2Å; Q77-I147 HydrophobicContact CB-CD1 3.98Å; Q77-I147 HydrophobicContact CB-CG1 3.71Å; Q77-I147 HydrophobicContact CG-CG1 4.01Å |
| 78 | T | 84.6 | Confident | 83 | Confident | 100 Ų | 100 | 60.5 Ų | 60.5 | 61% | 0.613 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 179.2 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | K74 Q75 A76 S82 | K74-T78 PolarHBondContact O-N 2.94Å; K74-T78 PolarHBondContact O-OG1 3.14Å; Q75-T78 PolarHBondContact O-N 3.36Å; A76-T78 VanDerWaalsContact C-N 3.33Å; A76-T78 PolarHBondContact O-N 3.31Å; T78-S82 WeakPolarHBondContact O-CB 3.39Å; T78-S82 PolarHBondContact O-N 2.8Å |
| 79 | R | 83.7 | Confident | 83.1 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 175.9 | -71.2 | -170.2 | -72.6 | -111.1 | 1.9 | 111.7 | Q75 A76 Q77 S82 E96 | Q75-R79 WeakPolarHBondContact O-CG 3.44Å; Q75-R79 PolarHBondContact O-N 3.5Å; Q75-R79 VanDerWaalsContact O-N 3.16Å; A76-R79 PolarHBondContact O-N 2.99Å; Q77-R79 VanDerWaalsContact C-N 3.34Å; Q77-R79 PolarHBondContact O-N 3.42Å; R79-S82 PolarHBondContact O-OG 3.14Å; R79-E96 IonicContact CZ-OE2 3.25Å; R79-E96 VanDerWaalsContact CZ-OE2 3.25Å; R79-E96 IonicContact NE-OE1 3.8Å; R79-E96 IonicContact NE-OE2 2.95Å; R79-E96 PolarHBondContact NE-OE2 2.96Å; R79-E96 IonicContact NH2-OE2 3.69Å; R79-E96 PolarHBondContact NH2-OE2 2.82Å |
| 80 | V | 82.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -50.9 | 179.9 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | A76 Q77 S82 H83 L89 Y93 E96 I151 | A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 3.08Å; Q77-V80 PolarHBondContact O-N 2.93Å; V80-S82 PolarHBondContact O-N 3.4Å; V80-H83 PolarHBondContact O-N 3.45Å; V80-L89 HydrophobicContact CG1-CD1 3.66Å; V80-L89 WeakPolarHBondContact O-CD1 3.31Å; V80-Y93 HydrophobicContact CG1-CD2 4.33Å; V80-E96 HydrophobicContact CG2-CB 4.2Å; V80-E96 HydrophobicContact CG2-CG 4.13Å; V80-I151 HydrophobicContact CG1-CD1 3.92Å |
| 81 | L | 82.2 | Confident | 83.2 | Confident | 87 Ų | 87 | 63.4 Ų | 63.4 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72 | -8.7 | -176.7 | -66.7 | 178.6 | 0 | 0 | 0 | 114.5 | Q77 H83 I151 | Q77-L81 HydrophobicContact CG-CD1 3.63Å; Q77-L81 HydrophobicContact CG-CG 4.24Å; Q77-L81 WeakPolarHBondContact O-CB 3.44Å; Q77-L81 WeakPolarHBondContact O-CG 3.43Å; Q77-L81 PolarHBondContact O-N 3.05Å; L81-H83 PolarHBondContact O-N 3.02Å; L81-I151 HydrophobicContact CD2-CG2 3.73Å |
| 82 | S | 83.1 | Confident | 83.3 | Confident | 78 Ų | 78 | 60.5 Ų | 60.5 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.1 | 174.2 | 72.5 | 0 | 0 | 0 | 0 | 113.3 | T78 R79 V80 | T78-S82 WeakPolarHBondContact O-CB 3.39Å; T78-S82 PolarHBondContact O-N 2.8Å; R79-S82 PolarHBondContact O-OG 3.14Å; V80-S82 PolarHBondContact O-N 3.4Å |
| 83 | H | 81.1 | Confident | 83.4 | Confident | 80 Ų | 80 | 59.5 Ų | 59.5 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | trans | -94.1 | 119.2 | 179.9 | -64.6 | -77.6 | 0 | 0 | 0 | 111.3 | V80 L81 A88 L89 | V80-H83 PolarHBondContact O-N 3.45Å; L81-H83 PolarHBondContact O-N 3.02Å; H83-A88 HydrophobicContact CB-CB 4.18Å; H83-L89 HydrophobicContact CB-CB 4.44Å | ||
| 84 | Q | 74.3 | Confident | 83.5 | Confident | 179 Ų | 179 | 59.8 Ų | 59.8 | 84% | 0.836 | 31% | 0.307 | S | S | * | . | trans | -80.6 | -33.1 | 175.7 | -67.7 | -168.9 | -3.8 | 0 | 0 | 113.2 | R154 | Q84-R154 PolarHBondContact O-NH2 3.06Š| ||
| 85 | D | 84.4 | Confident | 83.6 | Confident | 94 Ų | 94 | 58.4 Ų | 58.4 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -69.3 | 130.7 | 178.4 | -178.2 | -91.9 | 0 | 0 | 0 | 111.4 | T87 A88 L89 | D85-T87 VanDerWaalsContact C-N 3.31Å; D85-T87 PolarHBondContact O-N 2.99Å; D85-T87 WeakPolarHBondContact OD1-CA 3.4Å; D85-T87 VanDerWaalsContact OD1-CB 3.25Å; D85-T87 WeakPolarHBondContact OD1-CB 3.34Å; D85-T87 PolarHBondContact OD1-N 3.34Å; D85-T87 PolarHBondContact OD1-OG1 3.36Å; D85-A88 HydrophobicContact CB-CB 3.97Å; D85-A88 PolarHBondContact O-N 2.98Å; D85-A88 PolarHBondContact OD1-N 2.75Å; D85-L89 WeakPolarHBondContact O-CB 3.19Å; D85-L89 PolarHBondContact O-N 3.42Å |
| 86 | D | 78.8 | Confident | 83.7 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.8 | -38.5 | -176.7 | -80.3 | -14.1 | 0 | 0 | 0 | 113.1 | L90 R154 S158 K161 | D86-L90 WeakPolarHBondContact O-CB 3.16Å; D86-L90 PolarHBondContact O-N 2.74Å; D86-R154 IonicContact OD1-CZ 3.28Å; D86-R154 VanDerWaalsContact OD1-CZ 3.28Å; D86-R154 IonicContact OD1-NE 3Å; D86-R154 PolarHBondContact OD1-NE 3.44Å; D86-R154 IonicContact OD1-NH2 2.69Å; D86-R154 PolarHBondContact OD1-NH2 2.78Å; D86-S158 WeakPolarHBondContact CB-OG 3.06Å; D86-K161 IonicContact OD2-NZ 3.87Å |
| 87 | T | 79.9 | Confident | 83.8 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -75.1 | -40.5 | 179.5 | -1.6 | 0 | 0 | 0 | 0 | 112.1 | D85 L90 K91 | D85-T87 VanDerWaalsContact C-N 3.31Å; D85-T87 PolarHBondContact O-N 2.99Å; D85-T87 WeakPolarHBondContact OD1-CA 3.4Å; D85-T87 VanDerWaalsContact OD1-CB 3.25Å; D85-T87 WeakPolarHBondContact OD1-CB 3.34Å; D85-T87 PolarHBondContact OD1-N 3.34Å; D85-T87 PolarHBondContact OD1-OG1 3.36Å; T87-L90 PolarHBondContact O-N 2.94Å; T87-K91 WeakPolarHBondContact O-CG 3.45Å; T87-K91 PolarHBondContact O-N 3.03Å; T87-K91 VanDerWaalsContact O-N 3.12Å |
| 88 | A | 83.6 | Confident | 83.8 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H83 D85 K91 A92 | H83-A88 HydrophobicContact CB-CB 4.18Å; D85-A88 HydrophobicContact CB-CB 3.97Å; D85-A88 PolarHBondContact O-N 2.98Å; D85-A88 PolarHBondContact OD1-N 2.75Å; A88-K91 PolarHBondContact O-N 3.3Å; A88-A92 WeakPolarHBondContact O-CB 3.15Å; A88-A92 PolarHBondContact O-N 3.36Å |
| 89 | L | 85.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 173.7 | 178.5 | 70.5 | 0 | 0 | 0 | 111 | V80 H83 D85 A92 Y93 R154 | V80-L89 HydrophobicContact CG1-CD1 3.66Å; V80-L89 WeakPolarHBondContact O-CD1 3.31Å; H83-L89 HydrophobicContact CB-CB 4.44Å; D85-L89 WeakPolarHBondContact O-CB 3.19Å; D85-L89 PolarHBondContact O-N 3.42Å; L89-A92 PolarHBondContact O-N 3.27Å; L89-Y93 VanDerWaalsContact O-CB 3.3Å; L89-Y93 WeakPolarHBondContact O-CB 3.19Å; L89-Y93 PolarHBondContact O-N 3.29Å; L89-R154 HydrophobicContact CD2-CB 4.44Å |
| 90 | L | 85.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 176.9 | 176.8 | 60.6 | 0 | 0 | 0 | 111.8 | D86 T87 Y93 I94 L155 L162 L176 V180 | D86-L90 WeakPolarHBondContact O-CB 3.16Å; D86-L90 PolarHBondContact O-N 2.74Å; T87-L90 PolarHBondContact O-N 2.94Å; L90-Y93 PolarHBondContact O-N 2.7Å; L90-I94 HydrophobicContact CD1-CD1 4.34Å; L90-I94 HydrophobicContact CD1-CG1 3.95Å; L90-I94 HydrophobicContact CG-CG1 4.49Å; L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 2.75Å; L90-L155 HydrophobicContact CB-CD2 4.32Å; L90-L155 HydrophobicContact CD1-CD2 3.86Å; L90-L162 HydrophobicContact CD2-CD1 3.62Å; L90-L176 HydrophobicContact CD2-CB 4.02Å; L90-L176 HydrophobicContact CG-CB 4.28Å; L90-L176 HydrophobicContact CG-CD2 4.44Å; L90-V180 HydrophobicContact CD1-CG2 3.33Å |
| 91 | K | 85.4 | Confident | 83.8 | Confident | 122 Ų | 122 | 53.6 Ų | 53.6 | 53% | 0.53 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 177.8 | -73.2 | 174.8 | 179.8 | 177.9 | 0 | 111.9 | T87 A88 I94 V95 L176 | T87-K91 WeakPolarHBondContact O-CG 3.45Å; T87-K91 PolarHBondContact O-N 3.03Å; T87-K91 VanDerWaalsContact O-N 3.12Å; A88-K91 PolarHBondContact O-N 3.3Å; K91-I94 PolarHBondContact O-N 3.38Å; K91-V95 WeakPolarHBondContact O-CG2 3.26Å; K91-V95 PolarHBondContact O-N 3.05Å; K91-V95 VanDerWaalsContact O-N 3.13Å; K91-L176 HydrophobicContact CB-CD2 4.45Å; K91-L176 HydrophobicContact CG-CD1 4.11Å; K91-L176 HydrophobicContact CG-CD2 3.81Å |
| 92 | A | 85.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A88 L89 I94 V95 E96 | A88-A92 WeakPolarHBondContact O-CB 3.15Å; A88-A92 PolarHBondContact O-N 3.36Å; L89-A92 PolarHBondContact O-N 3.27Å; A92-I94 PolarHBondContact O-N 3.06Å; A92-V95 PolarHBondContact O-N 2.96Å; A92-E96 WeakPolarHBondContact O-CG 3.31Å; A92-E96 PolarHBondContact O-N 2.8Å; A92-E96 VanDerWaalsContact O-N 3.16Å |
| 93 | Y | 87.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 175.6 | 176.1 | -98.6 | 0 | 0 | 0 | 111.9 | V80 L89 L90 V95 E96 W97 W143 I147 F148 I151 L155 S183 | V80-Y93 HydrophobicContact CG1-CD2 4.33Å; L89-Y93 VanDerWaalsContact O-CB 3.3Å; L89-Y93 WeakPolarHBondContact O-CB 3.19Å; L89-Y93 PolarHBondContact O-N 3.29Å; L90-Y93 PolarHBondContact O-N 2.7Å; Y93-V95 VanDerWaalsContact C-N 3.34Å; Y93-V95 PolarHBondContact O-N 2.91Å; Y93-E96 PolarHBondContact O-N 2.92Å; Y93-W97 HydrophobicContact CD1-CB 4.46Å; Y93-W97 HydrophobicContact CE1-CB 4.08Å; Y93-W97 HydrophobicContact CE1-CG 4.29Å; Y93-W97 WeakPolarHBondContact O-CB 3.35Å; Y93-W97 PolarHBondContact O-N 2.86Å; Y93-W143 HydrophobicContact CD2-CZ2 4.28Å; Y93-W143 AromaticContact CE2-CE2 3.96Å; Y93-W143 AromaticContact CE2-CZ2 3.74Å; Y93-W143 HydrophobicContact CE2-CZ2 3.74Å; Y93-W143 AromaticContact CE2-NE1 3.59Å; Y93-W143 AromaticContact CZ-NE1 3.8Å; Y93-W143 PolarHBondContact OH-NE1 3.26Å; Y93-I147 HydrophobicContact CD2-CG2 3.96Å; Y93-I147 HydrophobicContact CE2-CG2 3.83Å; Y93-F148 AromaticContact CZ-CD2 3.98Å; Y93-F148 WeakPolarHBondContact OH-CD2 3.29Å; Y93-I151 HydrophobicContact CD2-CD1 3.69Å; Y93-I151 HydrophobicContact CE2-CD1 4.17Å; Y93-I151 HydrophobicContact CG-CD1 4.35Å; Y93-L155 HydrophobicContact CD1-CD1 3.65Å; Y93-L155 HydrophobicContact CD1-CD2 4.16Å; Y93-L155 HydrophobicContact CD2-CD1 4.03Å; Y93-L155 HydrophobicContact CE1-CD1 3.75Å; Y93-L155 HydrophobicContact CE2-CD1 4.09Å; Y93-L155 HydrophobicContact CG-CD1 3.81Å; Y93-L155 HydrophobicContact CG-CD2 4.1Å; Y93-S183 WeakPolarHBondContact CE1-OG 3.37Å; Y93-S183 WeakPolarHBondContact OH-CB 3.34Å; Y93-S183 PolarHBondContact OH-OG 3.18Å |
| 94 | I | 86.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.4 | -36 | -175.7 | -63.3 | -74.7 | 0 | 0 | 0 | 111.8 | L90 K91 A92 R98 L176 G179 V180 | L90-I94 HydrophobicContact CD1-CD1 4.34Å; L90-I94 HydrophobicContact CD1-CG1 3.95Å; L90-I94 HydrophobicContact CG-CG1 4.49Å; L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 2.75Å; K91-I94 PolarHBondContact O-N 3.38Å; A92-I94 PolarHBondContact O-N 3.06Å; I94-R98 WeakPolarHBondContact O-CB 3.29Å; I94-R98 VanDerWaalsContact O-CG 3.29Å; I94-R98 WeakPolarHBondContact O-CG 3.41Å; I94-R98 PolarHBondContact O-N 3.27Å; I94-L176 HydrophobicContact CB-CD2 4.25Å; I94-L176 WeakPolarHBondContact CD1-O 3.46Å; I94-L176 HydrophobicContact CG1-CD2 4.14Å; I94-L176 HydrophobicContact CG2-CD2 4.47Å; I94-G179 VanDerWaalsContact CD1-CA 3.48Å; I94-V180 HydrophobicContact CD1-CG2 4.09Å |
| 95 | V | 86.6 | Confident | 83.8 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 44% | 0.442 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.1 | -48.3 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | K91 A92 Y93 K99 | K91-V95 WeakPolarHBondContact O-CG2 3.26Å; K91-V95 PolarHBondContact O-N 3.05Å; K91-V95 VanDerWaalsContact O-N 3.13Å; A92-V95 PolarHBondContact O-N 2.96Å; Y93-V95 VanDerWaalsContact C-N 3.34Å; Y93-V95 PolarHBondContact O-N 2.91Å; V95-K99 WeakPolarHBondContact O-CG 3.33Å; V95-K99 PolarHBondContact O-N 3.06Å |
| 96 | E | 86.1 | Confident | 83.6 | Confident | 13 Ų | 13 | 37.4 Ų | 37.4 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.2 | -36.5 | -179.8 | -64.5 | -64 | 114.9 | 0 | 0 | 111.9 | R79 V80 A92 Y93 K99 F100 W143 | R79-E96 IonicContact CZ-OE2 3.25Å; R79-E96 VanDerWaalsContact CZ-OE2 3.25Å; R79-E96 IonicContact NE-OE1 3.8Å; R79-E96 IonicContact NE-OE2 2.95Å; R79-E96 PolarHBondContact NE-OE2 2.96Å; R79-E96 IonicContact NH2-OE2 3.69Å; R79-E96 PolarHBondContact NH2-OE2 2.82Å; V80-E96 HydrophobicContact CG2-CB 4.2Å; V80-E96 HydrophobicContact CG2-CG 4.13Å; A92-E96 WeakPolarHBondContact O-CG 3.31Å; A92-E96 PolarHBondContact O-N 2.8Å; A92-E96 VanDerWaalsContact O-N 3.16Å; Y93-E96 PolarHBondContact O-N 2.92Å; E96-K99 PolarHBondContact O-N 2.86Å; E96-K99 IonicContact OE1-NZ 2.75Å; E96-K99 PolarHBondContact OE1-NZ 3.38Å; E96-F100 VanDerWaalsContact O-CB 3.26Å; E96-F100 WeakPolarHBondContact O-CB 3.38Å; E96-F100 PolarHBondContact O-N 3.43Å; E96-W143 HydrophobicContact CB-CH2 4.07Å |
| 97 | W | 85.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.6 | 174.7 | -111.8 | 0 | 0 | 0 | 111.8 | Y93 K99 F100 F101 L140 W143 S183 N186 L187 | Y93-W97 HydrophobicContact CD1-CB 4.46Å; Y93-W97 HydrophobicContact CE1-CB 4.08Å; Y93-W97 HydrophobicContact CE1-CG 4.29Å; Y93-W97 WeakPolarHBondContact O-CB 3.35Å; Y93-W97 PolarHBondContact O-N 2.86Å; W97-K99 PolarHBondContact O-N 3.06Å; W97-F100 AromaticContact CE3-CD1 3.75Å; W97-F100 HydrophobicContact CE3-CD1 3.75Å; W97-F100 HydrophobicContact CE3-CE1 4.29Å; W97-F100 HydrophobicContact CH2-CD1 4.5Å; W97-F100 HydrophobicContact CH2-CE1 4.41Å; W97-F100 AromaticContact CZ3-CD1 3.61Å; W97-F100 HydrophobicContact CZ3-CD1 3.61Å; W97-F100 AromaticContact CZ3-CE1 3.68Å; W97-F100 HydrophobicContact CZ3-CE1 3.68Å; W97-F100 PolarHBondContact O-N 2.9Å; W97-F101 HydrophobicContact CH2-CD2 4.3Å; W97-F101 AromaticContact CZ2-CD2 3.84Å; W97-F101 HydrophobicContact CZ2-CD2 3.84Å; W97-F101 WeakPolarHBondContact O-CB 3.3Å; W97-F101 PolarHBondContact O-N 3.24Å; W97-L140 HydrophobicContact CH2-CD2 4.05Å; W97-W143 HydrophobicContact CB-CZ2 4.23Å; W97-W143 AromaticContact CE3-CD1 3.79Å; W97-W143 HydrophobicContact CE3-CD2 4.11Å; W97-W143 AromaticContact CE3-CE2 3.49Å; W97-W143 VanDerWaalsContact CE3-CE2 3.49Å; W97-W143 HydrophobicContact CE3-CG 4.29Å; W97-W143 AromaticContact CE3-CZ2 3.87Å; W97-W143 HydrophobicContact CE3-CZ2 3.87Å; W97-W143 AromaticContact CE3-NE1 3.24Å; W97-W143 AromaticContact CZ3-CD1 3.43Å; W97-W143 VanDerWaalsContact CZ3-CD1 3.43Å; W97-W143 HydrophobicContact CZ3-CD2 4.18Å; W97-W143 AromaticContact CZ3-CE2 3.93Å; W97-W143 AromaticContact CZ3-CG 3.91Å; W97-W143 HydrophobicContact CZ3-CG 3.91Å; W97-W143 AromaticContact CZ3-NE1 3.42Å; W97-S183 VanDerWaalsContact CE2-OG 3.27Å; W97-S183 PolarHBondContact NE1-OG 3.21Å; W97-N186 HydrophobicContact CZ2-CB 4.35Å; W97-L187 HydrophobicContact CH2-CD1 3.98Å; W97-L187 HydrophobicContact CH2-CD2 3.65Å; W97-L187 HydrophobicContact CH2-CG 3.65Å; W97-L187 HydrophobicContact CZ3-CD1 4.03Å; W97-L187 HydrophobicContact CZ3-CD2 3.79Å; W97-L187 HydrophobicContact CZ3-CG 4.08Å |
| 98 | R | 84.8 | Confident | 83.7 | Confident | 108 Ų | 108 | 32.2 Ų | 32.2 | 41% | 0.408 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.8 | -45 | 177.3 | -78.7 | 169.4 | 162.3 | -162.6 | -14.6 | 112.2 | I94 F100 F101 T102 | I94-R98 WeakPolarHBondContact O-CB 3.29Å; I94-R98 VanDerWaalsContact O-CG 3.29Å; I94-R98 WeakPolarHBondContact O-CG 3.41Å; I94-R98 PolarHBondContact O-N 3.27Å; R98-F100 VanDerWaalsContact C-N 3.32Å; R98-F100 PolarHBondContact O-N 3Å; R98-F101 PolarHBondContact O-N 3.43Å; R98-T102 PolarHBondContact O-N 2.84Å; R98-T102 PolarHBondContact O-OG1 3.39Å; R98-T102 VanDerWaalsContact O-OG1 3.08Å |
| 99 | K | 84.4 | Confident | 83.5 | Confident | 83 Ų | 83 | 34.8 Ų | 34.8 | 36% | 0.361 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 176.1 | -69.6 | 173.8 | -170.4 | 168.5 | 0 | 110.5 | Q32 V95 E96 W97 Q103 | Q32-K99 PolarHBondContact NE2-O 3.1Å; V95-K99 WeakPolarHBondContact O-CG 3.33Å; V95-K99 PolarHBondContact O-N 3.06Å; E96-K99 PolarHBondContact O-N 2.86Å; E96-K99 IonicContact OE1-NZ 2.75Å; E96-K99 PolarHBondContact OE1-NZ 3.38Å; W97-K99 PolarHBondContact O-N 3.06Å; K99-Q103 WeakPolarHBondContact O-CG 3.38Å; K99-Q103 PolarHBondContact O-N 2.89Å |
| 100 | F | 85.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 179.1 | 171.5 | -99.4 | 0 | 0 | 0 | 112.3 | F72 I73 E96 W97 R98 T102 Q103 C104 M139 L140 W143 | F72-F100 HydrophobicContact CE1-CD2 4.33Å; I73-F100 HydrophobicContact CD1-CE2 4.06Å; I73-F100 HydrophobicContact CG1-CE2 4.26Å; E96-F100 VanDerWaalsContact O-CB 3.26Å; E96-F100 WeakPolarHBondContact O-CB 3.38Å; E96-F100 PolarHBondContact O-N 3.43Å; W97-F100 AromaticContact CE3-CD1 3.75Å; W97-F100 HydrophobicContact CE3-CD1 3.75Å; W97-F100 HydrophobicContact CE3-CE1 4.29Å; W97-F100 HydrophobicContact CH2-CD1 4.5Å; W97-F100 HydrophobicContact CH2-CE1 4.41Å; W97-F100 AromaticContact CZ3-CD1 3.61Å; W97-F100 HydrophobicContact CZ3-CD1 3.61Å; W97-F100 AromaticContact CZ3-CE1 3.68Å; W97-F100 HydrophobicContact CZ3-CE1 3.68Å; W97-F100 PolarHBondContact O-N 2.9Å; R98-F100 VanDerWaalsContact C-N 3.32Å; R98-F100 PolarHBondContact O-N 3Å; F100-T102 PolarHBondContact O-N 2.97Å; F100-Q103 CarbonylContact O-C 3.56Å; F100-Q103 WeakPolarHBondContact O-CA 3.47Å; F100-Q103 WeakPolarHBondContact O-CB 3.45Å; F100-Q103 PolarHBondContact O-N 3.24Å; F100-C104 WeakPolarHBondContact CE1-SG 3.41Å; F100-C104 WeakPolarHBondContact CZ-SG 3.49Å; F100-C104 PolarHBondContact O-N 2.91Å; F100-C104 PolarHBondContact O-SG 3.3Å; F100-C104 VanDerWaalsContact O-SG 3.42Å; F100-M139 HydrophobicContact CD2-CE 4.1Å; F100-M139 HydrophobicContact CE2-CB 4.02Å; F100-M139 HydrophobicContact CE2-CE 3.71Å; F100-M139 HydrophobicContact CZ-CB 3.8Å; F100-M139 HydrophobicContact CZ-CE 4.45Å; F100-M139 WeakPolarHBondContact CZ-O 3.18Å; F100-L140 HydrophobicContact CE1-CD2 4.21Å; F100-W143 HydrophobicContact CB-CE3 3.98Å; F100-W143 HydrophobicContact CB-CH2 4.02Å; F100-W143 HydrophobicContact CB-CZ3 3.6Å; F100-W143 AromaticContact CD1-CD2 3.77Å; F100-W143 HydrophobicContact CD1-CD2 3.77Å; F100-W143 AromaticContact CD1-CE3 3.64Å; F100-W143 HydrophobicContact CD1-CE3 3.64Å; F100-W143 HydrophobicContact CD1-CG 4.16Å; F100-W143 HydrophobicContact CD1-CZ3 4.13Å; F100-W143 HydrophobicContact CD2-CD2 4.38Å; F100-W143 AromaticContact CD2-CE3 3.48Å; F100-W143 HydrophobicContact CD2-CE3 3.48Å; F100-W143 VanDerWaalsContact CD2-CE3 3.48Å; F100-W143 AromaticContact CD2-CZ3 3.82Å; F100-W143 HydrophobicContact CD2-CZ3 3.82Å; F100-W143 HydrophobicContact CE1-CB 3.73Å; F100-W143 AromaticContact CE1-CD2 3.88Å; F100-W143 HydrophobicContact CE1-CD2 3.88Å; F100-W143 AromaticContact CE1-CE3 3.94Å; F100-W143 HydrophobicContact CE1-CE3 3.94Å; F100-W143 AromaticContact CE1-CG 3.79Å; F100-W143 HydrophobicContact CE1-CG 3.79Å; F100-W143 HydrophobicContact CE2-CB 4.3Å; F100-W143 HydrophobicContact CE2-CD2 4.46Å; F100-W143 AromaticContact CE2-CE3 3.79Å; F100-W143 HydrophobicContact CE2-CE3 3.79Å; F100-W143 HydrophobicContact CG-CD2 4.03Å; F100-W143 AromaticContact CG-CE3 3.4Å; F100-W143 HydrophobicContact CG-CE3 3.4Å; F100-W143 HydrophobicContact CG-CH2 4.31Å; F100-W143 AromaticContact CG-CZ3 3.57Å; F100-W143 HydrophobicContact CG-CZ3 3.57Å; F100-W143 HydrophobicContact CZ-CB 3.6Å; F100-W143 HydrophobicContact CZ-CD2 4.22Å; F100-W143 HydrophobicContact CZ-CE3 4Å; F100-W143 HydrophobicContact CZ-CG 4.09Å |
| 101 | F | 82 | Confident | 82.8 | Confident | 41 Ų | 41 | 34.9 Ų | 34.9 | 18% | 0.18 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -40.8 | -178.5 | -170 | -102.6 | 0 | 0 | 0 | 112.2 | W97 R98 Q103 C104 D105 N186 | W97-F101 HydrophobicContact CH2-CD2 4.3Å; W97-F101 AromaticContact CZ2-CD2 3.84Å; W97-F101 HydrophobicContact CZ2-CD2 3.84Å; W97-F101 WeakPolarHBondContact O-CB 3.3Å; W97-F101 PolarHBondContact O-N 3.24Å; R98-F101 PolarHBondContact O-N 3.43Å; F101-Q103 VanDerWaalsContact C-N 3.25Å; F101-Q103 PolarHBondContact O-N 3.33Å; F101-C104 WeakPolarHBondContact O-CB 3.28Å; F101-C104 PolarHBondContact O-N 2.96Å; F101-C104 VanDerWaalsContact O-N 3.16Å; F101-D105 PolarHBondContact O-N 2.68Å; F101-N186 HydrophobicContact CE2-CB 3.91Å; F101-N186 WeakPolarHBondContact CE2-ND2 3.44Å; F101-N186 VanDerWaalsContact CZ-ND2 3.32Å; F101-N186 WeakPolarHBondContact CZ-ND2 3.45Å |
| 102 | T | 83.3 | Confident | 82.1 | Confident | 67 Ų | 67 | 31.6 Ų | 31.6 | 41% | 0.411 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60 | -37.2 | 170.8 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | R98 F100 D105 I106 | R98-T102 PolarHBondContact O-N 2.84Å; R98-T102 PolarHBondContact O-OG1 3.39Å; R98-T102 VanDerWaalsContact O-OG1 3.08Å; F100-T102 PolarHBondContact O-N 2.97Å; T102-D105 PolarHBondContact O-N 3.48Å; T102-I106 HydrophobicContact CG2-CD1 3.65Å; T102-I106 HydrophobicContact CG2-CG1 4.49Å; T102-I106 VanDerWaalsContact O-CG1 3.3Å; T102-I106 WeakPolarHBondContact O-CG1 3.15Å; T102-I106 PolarHBondContact O-N 3.03Å |
| 103 | Q | 81.6 | Confident | 81.3 | Confident | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.2 | -31.2 | 175.8 | -66.4 | -48.7 | -40.9 | 0 | 0 | 113.4 | L29 Q32 K99 F100 F101 D105 I106 L107 M139 | L29-Q103 PolarHBondContact O-NE2 3.35Å; L29-Q103 PolarHBondContact O-OE1 3.35Å; Q32-Q103 HydrophobicContact CG-CG 4.06Å; Q32-Q103 VanDerWaalsContact CG-NE2 3.32Å; K99-Q103 WeakPolarHBondContact O-CG 3.38Å; K99-Q103 PolarHBondContact O-N 2.89Å; F100-Q103 CarbonylContact O-C 3.56Å; F100-Q103 WeakPolarHBondContact O-CA 3.47Å; F100-Q103 WeakPolarHBondContact O-CB 3.45Å; F100-Q103 PolarHBondContact O-N 3.24Å; F101-Q103 VanDerWaalsContact C-N 3.25Å; F101-Q103 PolarHBondContact O-N 3.33Å; Q103-D105 PolarHBondContact O-N 3.33Å; Q103-I106 PolarHBondContact O-N 2.99Å; Q103-L107 WeakPolarHBondContact O-CB 3.39Å; Q103-L107 PolarHBondContact O-N 3.13Å; Q103-M139 HydrophobicContact CB-CE 4.2Å |
| 104 | C | 79.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -22.5 | 172.2 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | F100 F101 P108 R136 | F100-C104 WeakPolarHBondContact CE1-SG 3.41Å; F100-C104 WeakPolarHBondContact CZ-SG 3.49Å; F100-C104 PolarHBondContact O-N 2.91Å; F100-C104 PolarHBondContact O-SG 3.3Å; F100-C104 VanDerWaalsContact O-SG 3.42Å; F101-C104 WeakPolarHBondContact O-CB 3.28Å; F101-C104 PolarHBondContact O-N 2.96Å; F101-C104 VanDerWaalsContact O-N 3.16Å; C104-P108 WeakPolarHBondContact O-CD 3.4Å; C104-P108 WeakPolarHBondContact O-CG 3.48Å; C104-R136 HydrophobicContact CB-CG 4.22Å |
| 105 | D | 77.6 | Confident | 79.6 | Confident | 58 Ų | 58 | 33.5 Ų | 33.5 | 31% | 0.31 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -96.2 | -22 | 176.3 | -65.5 | -20.3 | 0 | 0 | 0 | 113.2 | F101 T102 Q103 K109 R136 | F101-D105 PolarHBondContact O-N 2.68Å; T102-D105 PolarHBondContact O-N 3.48Å; Q103-D105 PolarHBondContact O-N 3.33Å; D105-K109 VanDerWaalsContact O-CE 3.29Å; D105-K109 WeakPolarHBondContact O-CE 3.27Å; D105-R136 IonicContact OD1-CZ 2.78Å; D105-R136 IonicContact OD1-NE 2.69Å; D105-R136 PolarHBondContact OD1-NE 2.7Å; D105-R136 IonicContact OD1-NH2 3.62Å; D105-R136 PolarHBondContact OD1-NH2 3.41Å |
| 106 | I | 80.4 | Confident | 78.8 | Confident | 45 Ų | 45 | 34.4 Ų | 34.4 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -93.5 | -46.2 | -177.3 | -65.1 | 173 | 0 | 0 | 0 | 111.2 | L29 W40 T102 Q103 K109 | L29-I106 HydrophobicContact CD2-CG2 4.28Å; W40-I106 HydrophobicContact CH2-CG2 3.63Å; W40-I106 HydrophobicContact CZ2-CG2 3.75Å; T102-I106 HydrophobicContact CG2-CD1 3.65Å; T102-I106 HydrophobicContact CG2-CG1 4.49Å; T102-I106 VanDerWaalsContact O-CG1 3.3Å; T102-I106 WeakPolarHBondContact O-CG1 3.15Å; T102-I106 PolarHBondContact O-N 3.03Å; Q103-I106 PolarHBondContact O-N 2.99Å; I106-K109 WeakPolarHBondContact O-CB 3.41Å; I106-K109 WeakPolarHBondContact O-CG 3.48Å; I106-K109 PolarHBondContact O-N 2.84Å |
| 107 | L | 80.4 | Confident | 78 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -36.8 | -174.5 | -170.3 | 71 | 0 | 0 | 0 | 113.3 | V26 L29 L30 L65 I69 Q103 K109 P110 F111 V135 M139 | V26-L107 HydrophobicContact CG1-CD1 4.35Å; L29-L107 HydrophobicContact CB-CD1 3.99Å; L29-L107 HydrophobicContact CD1-CD1 4.32Å; L30-L107 HydrophobicContact CD2-CD2 3.66Å; L30-L107 HydrophobicContact CG-CD1 4.38Å; L30-L107 HydrophobicContact CG-CD2 4.3Å; L65-L107 HydrophobicContact CD1-CD2 4.33Å; I69-L107 HydrophobicContact CD1-CD2 4.29Å; I69-L107 HydrophobicContact CG1-CD2 4.37Å; Q103-L107 WeakPolarHBondContact O-CB 3.39Å; Q103-L107 PolarHBondContact O-N 3.13Å; L107-K109 VanDerWaalsContact C-N 3.25Å; L107-K109 PolarHBondContact O-N 2.56Å; L107-P110 WeakPolarHBondContact O-CD 3.39Å; L107-F111 HydrophobicContact CD1-CE2 4.35Å; L107-F111 WeakPolarHBondContact O-CD2 3.46Å; L107-V135 HydrophobicContact CD2-CG1 4.17Å; L107-V135 HydrophobicContact CG-CG1 4.42Å; L107-M139 HydrophobicContact CB-SD 4.19Å; L107-M139 HydrophobicContact CD2-CE 4.03Å; L107-M139 HydrophobicContact CD2-CG 4.49Å; L107-M139 HydrophobicContact CD2-SD 3.51Å; L107-M139 VanDerWaalsContact CD2-SD 3.51Å; L107-M139 HydrophobicContact CG-SD 4.46Å |
| 108 | P | 80.1 | Confident | 77.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.2 | 178.1 | -27.9 | 38.4 | 0 | 0 | 0 | 115.2 | C104 F111 C112 S133 V135 R136 | C104-P108 WeakPolarHBondContact O-CD 3.4Å; C104-P108 WeakPolarHBondContact O-CG 3.48Å; P108-F111 PolarHBondContact O-N 2.62Å; P108-C112 PolarHBondContact O-N 3.27Å; P108-S133 WeakPolarHBondContact CB-OG 3.4Å; P108-V135 HydrophobicContact CG-CB 4.47Å; P108-V135 HydrophobicContact CG-CG1 4.42Å; P108-R136 HydrophobicContact CG-CB 4.03Å |
| 109 | K | 79.3 | Confident | 76 | Confident | 87 Ų | 87 | 40.5 Ų | 40.5 | 38% | 0.378 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -56.9 | -46.8 | -170.8 | -65.1 | 178.2 | 177.7 | 177.3 | 0 | 114 | W40 F44 D105 I106 L107 F111 C112 M130 | W40-K109 HydrophobicContact CZ3-CB 4.09Å; F44-K109 WeakPolarHBondContact CE1-O 3.35Å; F44-K109 HydrophobicContact CZ-CB 4.35Å; F44-K109 WeakPolarHBondContact CZ-O 3.23Å; D105-K109 VanDerWaalsContact O-CE 3.29Å; D105-K109 WeakPolarHBondContact O-CE 3.27Å; I106-K109 WeakPolarHBondContact O-CB 3.41Å; I106-K109 WeakPolarHBondContact O-CG 3.48Å; I106-K109 PolarHBondContact O-N 2.84Å; L107-K109 VanDerWaalsContact C-N 3.25Å; L107-K109 PolarHBondContact O-N 2.56Å; K109-F111 PolarHBondContact O-N 2.71Å; K109-C112 PolarHBondContact O-SG 3.01Å; K109-M130 HydrophobicContact CD-CE 4.48Å; K109-M130 HydrophobicContact CG-CE 3.99Å; K109-M130 HydrophobicContact CG-SD 4.13Å |
| 110 | P | 77.3 | Confident | 74.6 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -67.9 | -19.9 | 175.4 | -15.3 | 30.9 | 0 | 0 | 0 | 114.3 | L29 W40 L43 F44 L107 | L29-P110 HydrophobicContact CD1-CG 4.36Å; W40-P110 HydrophobicContact CE3-CG 3.88Å; W40-P110 HydrophobicContact CH2-CG 4.22Å; W40-P110 HydrophobicContact CZ3-CG 3.38Å; L43-P110 HydrophobicContact CD2-CB 3.66Å; L43-P110 HydrophobicContact CD2-CG 3.53Å; L43-P110 HydrophobicContact CG-CB 3.76Å; L43-P110 HydrophobicContact CG-CG 4.2Å; F44-P110 VanDerWaalsContact CE1-CA 3.49Å; L107-P110 WeakPolarHBondContact O-CD 3.39Å |
| 111 | F | 79 | Confident | 72.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -100.5 | 10.2 | -171.8 | -60.5 | -80.2 | 0 | 0 | 0 | 113.8 | V26 V47 I61 L65 L107 P108 K109 Q113 L114 E115 V135 | V26-F111 HydrophobicContact CG2-CE2 4.48Å; V26-F111 HydrophobicContact CG2-CZ 3.84Å; V47-F111 HydrophobicContact CG1-CD1 3.92Å; V47-F111 HydrophobicContact CG2-CD1 3.82Å; V47-F111 HydrophobicContact CG2-CE1 3.63Å; V47-F111 HydrophobicContact CG2-CZ 4.4Å; I61-F111 HydrophobicContact CG2-CD1 4.12Å; I61-F111 HydrophobicContact CG2-CE1 3.87Å; L65-F111 HydrophobicContact CD1-CE2 4.34Å; L65-F111 HydrophobicContact CD1-CZ 4.19Å; L107-F111 HydrophobicContact CD1-CE2 4.35Å; L107-F111 WeakPolarHBondContact O-CD2 3.46Å; P108-F111 PolarHBondContact O-N 2.62Å; K109-F111 PolarHBondContact O-N 2.71Å; F111-Q113 PolarHBondContact O-N 3Å; F111-Q113 VanDerWaalsContact O-N 3.14Å; F111-L114 HydrophobicContact CB-CB 4.22Å; F111-L114 HydrophobicContact CB-CD2 4.29Å; F111-L114 HydrophobicContact CD1-CD2 4.03Å; F111-L114 WeakPolarHBondContact O-CB 3.39Å; F111-L114 PolarHBondContact O-N 2.98Å; F111-E115 PolarHBondContact O-N 3.31Å; F111-V135 HydrophobicContact CB-CG2 4.12Å |
| 112 | C | 71.6 | Confident | 70.6 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.3 | -37 | 175.1 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | P108 K109 E115 I116 | P108-C112 PolarHBondContact O-N 3.27Å; K109-C112 PolarHBondContact O-SG 3.01Å; C112-E115 PolarHBondContact O-N 3.01Å; C112-I116 WeakPolarHBondContact O-CG1 3.2Å; C112-I116 PolarHBondContact O-N 2.8Å |
| 113 | Q | 68.9 | Low | 68.7 | Low | 50 Ų | 50 | 55.5 Ų | 55.5 | 23% | 0.234 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.4 | -34.2 | 178.1 | -170.7 | 64 | 23.7 | 0 | 0 | 112.6 | H48 C51 F111 E115 I116 T117 | H48-Q113 HydrophobicContact CB-CG 4.32Å; C51-Q113 HydrophobicContact CB-CG 4.26Å; F111-Q113 PolarHBondContact O-N 3Å; F111-Q113 VanDerWaalsContact O-N 3.14Å; Q113-E115 VanDerWaalsContact C-N 3.28Å; Q113-E115 PolarHBondContact O-N 3.43Å; Q113-I116 PolarHBondContact O-N 3.18Å; Q113-T117 PolarHBondContact O-N 3.17Å; Q113-T117 VanDerWaalsContact O-N 3.14Å; Q113-T117 PolarHBondContact O-OG1 2.95Å; Q113-T117 VanDerWaalsContact O-OG1 3.12Å |
| 114 | L | 70.9 | Confident | 66.5 | Low | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 174.7 | -178.7 | 73.7 | 0 | 0 | 0 | 110.4 | V47 P58 I61 F111 T117 L118 | V47-L114 HydrophobicContact CG1-CB 4.42Å; P58-L114 VanDerWaalsContact CA-CD1 3.47Å; P58-L114 HydrophobicContact CB-CD1 3.79Å; P58-L114 WeakPolarHBondContact O-CD1 3.49Å; I61-L114 HydrophobicContact CB-CD1 4.05Å; I61-L114 HydrophobicContact CD1-CD1 4.41Å; I61-L114 HydrophobicContact CG2-CD1 4.05Å; I61-L114 HydrophobicContact CG2-CD2 3.79Å; F111-L114 HydrophobicContact CB-CB 4.22Å; F111-L114 HydrophobicContact CB-CD2 4.29Å; F111-L114 HydrophobicContact CD1-CD2 4.03Å; F111-L114 WeakPolarHBondContact O-CB 3.39Å; F111-L114 PolarHBondContact O-N 2.98Å; L114-T117 PolarHBondContact O-N 3.08Å; L114-L118 HydrophobicContact CD1-CD1 4.07Å; L114-L118 HydrophobicContact CD1-CG 4.5Å; L114-L118 HydrophobicContact CD2-CD1 4.39Å; L114-L118 HydrophobicContact CG-CD1 3.79Å; L114-L118 WeakPolarHBondContact O-CB 3.25Å; L114-L118 VanDerWaalsContact O-CG 3.29Å; L114-L118 WeakPolarHBondContact O-CG 3.3Å; L114-L118 PolarHBondContact O-N 3.13Å |
| 115 | E | 67.7 | Low | 64.4 | Low | 15 Ų | 15 | 68.6 Ų | 68.6 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 179.7 | -63.1 | 178.1 | 169 | 0 | 0 | 112.1 | F111 C112 Q113 T117 L118 M119 S133 I134 | F111-E115 PolarHBondContact O-N 3.31Å; C112-E115 PolarHBondContact O-N 3.01Å; Q113-E115 VanDerWaalsContact C-N 3.28Å; Q113-E115 PolarHBondContact O-N 3.43Å; E115-T117 VanDerWaalsContact C-N 3.32Å; E115-T117 PolarHBondContact O-N 2.85Å; E115-L118 PolarHBondContact O-N 3.4Å; E115-M119 WeakPolarHBondContact O-CB 3.39Å; E115-M119 VanDerWaalsContact O-CG 3.26Å; E115-M119 WeakPolarHBondContact O-CG 3.31Å; E115-M119 PolarHBondContact O-N 3.41Å; E115-M119 VanDerWaalsContact O-N 3.1Å; E115-S133 VanDerWaalsContact OE1-CA 3.24Å; E115-S133 WeakPolarHBondContact OE1-CA 3.33Å; E115-S133 WeakPolarHBondContact OE1-CB 3.34Å; E115-S133 PolarHBondContact OE1-OG 3.46Å; E115-I134 PolarHBondContact OE1-N 3.26Å |
| 116 | I | 68.8 | Low | 62.7 | Low | 91 Ų | 91 | 74.7 Ų | 74.7 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 177 | -65.3 | 164.9 | 0 | 0 | 0 | 111 | C112 Q113 | C112-I116 WeakPolarHBondContact O-CG1 3.2Å; C112-I116 PolarHBondContact O-N 2.8Å; Q113-I116 PolarHBondContact O-N 3.18Å |
| 117 | T | 69.2 | Low | 60.8 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 36% | 0.356 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.5 | -40.1 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | P58 Q113 L114 E115 | P58-T117 HydrophobicContact CB-CG2 4.49Å; P58-T117 HydrophobicContact CG-CG2 3.76Å; Q113-T117 PolarHBondContact O-N 3.17Å; Q113-T117 VanDerWaalsContact O-N 3.14Å; Q113-T117 PolarHBondContact O-OG1 2.95Å; Q113-T117 VanDerWaalsContact O-OG1 3.12Å; L114-T117 PolarHBondContact O-N 3.08Å; E115-T117 VanDerWaalsContact C-N 3.32Å; E115-T117 PolarHBondContact O-N 2.85Å |
| 118 | L | 67.7 | Low | 59.1 | Low | 72 Ų | 72 | 86.8 Ų | 86.8 | 38% | 0.377 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.2 | -27.6 | -179.2 | -73.4 | 171.9 | 0 | 0 | 0 | 113.5 | P58 H62 L114 E115 I134 | P58-L118 HydrophobicContact CB-CD2 3.73Å; P58-L118 HydrophobicContact CB-CG 4.03Å; H62-L118 HydrophobicContact CB-CD1 4.44Å; L114-L118 HydrophobicContact CD1-CD1 4.07Å; L114-L118 HydrophobicContact CD1-CG 4.5Å; L114-L118 HydrophobicContact CD2-CD1 4.39Å; L114-L118 HydrophobicContact CG-CD1 3.79Å; L114-L118 WeakPolarHBondContact O-CB 3.25Å; L114-L118 VanDerWaalsContact O-CG 3.29Å; L114-L118 WeakPolarHBondContact O-CG 3.3Å; L114-L118 PolarHBondContact O-N 3.13Å; E115-L118 PolarHBondContact O-N 3.4Å; L118-I134 HydrophobicContact CB-CD1 4.14Å; L118-I134 HydrophobicContact CD1-CD1 4.48Å |
| 119 | M | 61.8 | Low | 57.6 | Low | 120 Ų | 120 | 91.8 Ų | 91.8 | 59% | 0.591 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -81.8 | -13.1 | -179.7 | -69.8 | -178.4 | 74.4 | 0 | 0 | 114.5 | E115 I134 | E115-M119 WeakPolarHBondContact O-CB 3.39Å; E115-M119 VanDerWaalsContact O-CG 3.26Å; E115-M119 WeakPolarHBondContact O-CG 3.31Å; E115-M119 PolarHBondContact O-N 3.41Å; E115-M119 VanDerWaalsContact O-N 3.1Å; M119-I134 HydrophobicContact CG-CD1 4.14Å |
| 120 | G | 55.2 | Low | 56.2 | Low | 41 Ų | 41 | 91.9 Ų | 91.9 | 42% | 0.423 | 49% | 0.488 | S | S | . | . | trans | 69.2 | 162.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q122 | G120-Q122 PolarHBondContact O-N 3.45Š| ||
| 121 | K | 42.9 | Very low | 55 | Low | 217 Ų | 217 | 96.9 Ų | 96.9 | 94% | 0.943 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 13.7 | -173.8 | -84.1 | -173.3 | 177.7 | 179.6 | 0 | 116.9 | ||
| 122 | Q | 40.1 | Very low | 53.9 | Low | 200 Ų | 200 | 102.5 Ų | 102.5 | 94% | 0.935 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -3.8 | 174.9 | -75.6 | -155.3 | -0.9 | 0 | 0 | 114.8 | G120 | G120-Q122 PolarHBondContact O-N 3.45Š|
| 123 | G | 42.2 | Very low | 53.8 | Low | 48 Ų | 48 | 100 Ų | 100 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | trans | -99.7 | 10.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | N125 K126 | G123-N125 PolarHBondContact O-N 3.21Å; G123-K126 PolarHBondContact O-N 3.09Å | ||
| 124 | S | 35.6 | Very low | 53.9 | Low | 114 Ų | 114 | 100.1 Ų | 100.1 | 80% | 0.797 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 1 | -162.6 | -170.1 | 0 | 0 | 0 | 0 | 117.6 | ||
| 125 | N | 36.6 | Very low | 54.1 | Low | 168 Ų | 168 | 100.1 Ų | 100.1 | 90% | 0.898 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | 12.2 | -176.7 | -97 | -0.1 | 0 | 0 | 0 | 116.6 | G123 | G123-N125 PolarHBondContact O-N 3.21Š|
| 126 | K | 42.1 | Very low | 54.7 | Low | 186 Ų | 186 | 100.9 Ų | 100.9 | 81% | 0.809 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -109.8 | 123.6 | 166.2 | -79 | -175.3 | 175.9 | 179.1 | 0 | 109 | G123 T128 | G123-K126 PolarHBondContact O-N 3.09Å; K126-T128 PolarHBondContact O-N 3.5Å |
| 127 | K | 40 | Very low | 55.1 | Low | 205 Ų | 205 | 102 Ų | 102 | 89% | 0.891 | 53% | 0.529 | S | S | * | . | trans | -47.7 | 113.2 | 160.3 | -81.4 | 177.9 | 173.8 | 176.4 | 0 | 106.5 | N129 | K127-N129 PolarHBondContact O-N 3.37Š| ||
| 128 | T | 43.9 | Very low | 55.5 | Low | 93 Ų | 93 | 100.2 Ų | 100.2 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | trans | -61.5 | 103 | 174.1 | 22.6 | 0 | 0 | 0 | 0 | 107.3 | K126 M130 | K126-T128 PolarHBondContact O-N 3.5Å; T128-M130 PolarHBondContact O-N 3.05Å | ||
| 129 | N | 48.8 | Very low | 56.1 | Low | 107 Ų | 107 | 96.8 Ų | 96.8 | 57% | 0.572 | 50% | 0.5 | S | S | * | . | trans | -65.1 | 130.3 | 169.4 | -107 | -4.8 | 0 | 0 | 0 | 106.9 | K127 E131 D132 | K127-N129 PolarHBondContact O-N 3.37Å; N129-E131 PolarHBondContact O-N 2.94Å; N129-D132 PolarHBondContact O-N 3.46Å | ||
| 130 | M | 50.5 | Low | 57.1 | Low | 88 Ų | 88 | 92.2 Ų | 92.2 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -59.7 | -10 | 178.2 | -148.8 | 151.5 | 90.1 | 0 | 0 | 112.8 | K109 T128 | K109-M130 HydrophobicContact CD-CE 4.48Å; K109-M130 HydrophobicContact CG-CE 3.99Å; K109-M130 HydrophobicContact CG-SD 4.13Å; T128-M130 PolarHBondContact O-N 3.05Å |
| 131 | E | 51 | Low | 58.2 | Low | 108 Ų | 108 | 92.4 Ų | 92.4 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -71.8 | -25.2 | 172.4 | -63.4 | -156.4 | 145.3 | 0 | 0 | 115.3 | N129 | N129-E131 PolarHBondContact O-N 2.94Š|
| 132 | D | 56.1 | Low | 60 | Low | 117 Ų | 117 | 82.4 Ų | 82.4 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -100.4 | 18.3 | -178.7 | -65.7 | -27.8 | 0 | 0 | 0 | 112.4 | N129 I134 K194 | N129-D132 PolarHBondContact O-N 3.46Å; D132-I134 PolarHBondContact O-N 2.78Å; D132-K194 IonicContact OD1-NZ 3.84Å |
| 133 | S | 68.8 | Low | 62.1 | Low | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | trans | -58.2 | 129.3 | 177.4 | 161.3 | 0 | 0 | 0 | 0 | 111.7 | P108 E115 V135 R136 K137 | P108-S133 WeakPolarHBondContact CB-OG 3.4Å; E115-S133 VanDerWaalsContact OE1-CA 3.24Å; E115-S133 WeakPolarHBondContact OE1-CA 3.33Å; E115-S133 WeakPolarHBondContact OE1-CB 3.34Å; E115-S133 PolarHBondContact OE1-OG 3.46Å; S133-V135 VanDerWaalsContact C-N 3.26Å; S133-V135 PolarHBondContact O-N 3.23Å; S133-V135 PolarHBondContact OG-N 3.44Å; S133-R136 PolarHBondContact O-N 2.81Å; S133-R136 PolarHBondContact OG-N 2.93Å; S133-K137 WeakPolarHBondContact O-CB 3.16Å; S133-K137 PolarHBondContact O-N 3.1Å | ||
| 134 | I | 72.7 | Confident | 64.1 | Low | 52 Ų | 52 | 72.3 Ų | 72.3 | 27% | 0.267 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 176.2 | -64.2 | 169.9 | 0 | 0 | 0 | 110.1 | E115 L118 M119 D132 K137 L138 | E115-I134 PolarHBondContact OE1-N 3.26Å; L118-I134 HydrophobicContact CB-CD1 4.14Å; L118-I134 HydrophobicContact CD1-CD1 4.48Å; M119-I134 HydrophobicContact CG-CD1 4.14Å; D132-I134 PolarHBondContact O-N 2.78Å; I134-K137 PolarHBondContact O-N 3.33Å; I134-L138 WeakPolarHBondContact O-CB 3.36Å; I134-L138 PolarHBondContact O-N 2.89Å |
| 135 | V | 75.4 | Confident | 66.2 | Low | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | L65 L107 P108 F111 S133 K137 L138 M139 | L65-V135 HydrophobicContact CD2-CB 4.26Å; L65-V135 HydrophobicContact CD2-CG1 3.63Å; L65-V135 HydrophobicContact CD2-CG2 3.66Å; L107-V135 HydrophobicContact CD2-CG1 4.17Å; L107-V135 HydrophobicContact CG-CG1 4.42Å; P108-V135 HydrophobicContact CG-CB 4.47Å; P108-V135 HydrophobicContact CG-CG1 4.42Å; F111-V135 HydrophobicContact CB-CG2 4.12Å; S133-V135 VanDerWaalsContact C-N 3.26Å; S133-V135 PolarHBondContact O-N 3.23Å; S133-V135 PolarHBondContact OG-N 3.44Å; V135-K137 VanDerWaalsContact C-N 3.35Å; V135-K137 PolarHBondContact O-N 3.29Å; V135-L138 PolarHBondContact O-N 2.86Å; V135-M139 WeakPolarHBondContact O-CG 3.42Å; V135-M139 PolarHBondContact O-N 3.29Å |
| 136 | R | 79.2 | Confident | 68.3 | Low | 32 Ų | 32 | 66.8 Ų | 66.8 | 12% | 0.121 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 176.7 | -168.1 | 176 | -168.2 | -154.7 | 6.2 | 111.3 | C104 D105 P108 S133 M139 L140 | C104-R136 HydrophobicContact CB-CG 4.22Å; D105-R136 IonicContact OD1-CZ 2.78Å; D105-R136 IonicContact OD1-NE 2.69Å; D105-R136 PolarHBondContact OD1-NE 2.7Å; D105-R136 IonicContact OD1-NH2 3.62Å; D105-R136 PolarHBondContact OD1-NH2 3.41Å; P108-R136 HydrophobicContact CG-CB 4.03Å; S133-R136 PolarHBondContact O-N 2.81Å; S133-R136 PolarHBondContact OG-N 2.93Å; R136-M139 PolarHBondContact O-N 2.9Å; R136-L140 HydrophobicContact CG-CD1 4.1Å; R136-L140 WeakPolarHBondContact O-CG 3.42Å; R136-L140 PolarHBondContact O-N 3.48Å |
| 137 | K | 76.9 | Confident | 70.1 | Confident | 114 Ų | 114 | 58.1 Ų | 58.1 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 176.4 | -173.7 | 173.5 | -177.3 | 176.1 | 0 | 111.7 | S133 I134 V135 M139 L140 D141 | S133-K137 WeakPolarHBondContact O-CB 3.16Å; S133-K137 PolarHBondContact O-N 3.1Å; I134-K137 PolarHBondContact O-N 3.33Å; V135-K137 VanDerWaalsContact C-N 3.35Å; V135-K137 PolarHBondContact O-N 3.29Å; K137-M139 VanDerWaalsContact C-N 3.33Å; K137-M139 PolarHBondContact O-N 3.45Å; K137-L140 PolarHBondContact O-N 3.47Å; K137-D141 WeakPolarHBondContact CG-OD2 3.33Å; K137-D141 WeakPolarHBondContact O-CB 3.27Å; K137-D141 PolarHBondContact O-N 2.74Å |
| 138 | L | 78.4 | Confident | 72.1 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 176.7 | 179.3 | 66 | 0 | 0 | 0 | 112.3 | K66 I69 I134 V135 T142 | K66-L138 HydrophobicContact CB-CD2 3.88Å; K66-L138 HydrophobicContact CD-CD1 4.11Å; K66-L138 HydrophobicContact CG-CD1 4.04Å; K66-L138 HydrophobicContact CG-CD2 4.24Å; I69-L138 HydrophobicContact CD1-CD2 4.22Å; I134-L138 WeakPolarHBondContact O-CB 3.36Å; I134-L138 PolarHBondContact O-N 2.89Å; V135-L138 PolarHBondContact O-N 2.86Å; L138-T142 WeakPolarHBondContact O-CB 3.34Å; L138-T142 PolarHBondContact O-N 3.48Å; L138-T142 PolarHBondContact O-OG1 2.89Å |
| 139 | M | 80.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -52 | 175.8 | -72.3 | -176.7 | 82.5 | 0 | 0 | 111 | L30 I69 F100 Q103 L107 V135 R136 K137 T142 W143 | L30-M139 HydrophobicContact CD2-CE 4.02Å; I69-M139 HydrophobicContact CD1-CG 3.57Å; I69-M139 HydrophobicContact CG1-CG 4.12Å; I69-M139 HydrophobicContact CG2-CG 4.12Å; F100-M139 HydrophobicContact CD2-CE 4.1Å; F100-M139 HydrophobicContact CE2-CB 4.02Å; F100-M139 HydrophobicContact CE2-CE 3.71Å; F100-M139 HydrophobicContact CZ-CB 3.8Å; F100-M139 HydrophobicContact CZ-CE 4.45Å; F100-M139 WeakPolarHBondContact CZ-O 3.18Å; Q103-M139 HydrophobicContact CB-CE 4.2Å; L107-M139 HydrophobicContact CB-SD 4.19Å; L107-M139 HydrophobicContact CD2-CE 4.03Å; L107-M139 HydrophobicContact CD2-CG 4.49Å; L107-M139 HydrophobicContact CD2-SD 3.51Å; L107-M139 VanDerWaalsContact CD2-SD 3.51Å; L107-M139 HydrophobicContact CG-SD 4.46Å; V135-M139 WeakPolarHBondContact O-CG 3.42Å; V135-M139 PolarHBondContact O-N 3.29Å; R136-M139 PolarHBondContact O-N 2.9Å; K137-M139 VanDerWaalsContact C-N 3.33Å; K137-M139 PolarHBondContact O-N 3.45Å; M139-T142 PolarHBondContact O-N 3.36Å; M139-W143 PolarHBondContact O-N 3.26Å |
| 140 | L | 81.4 | Confident | 75.4 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 12% | 0.12 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | -177.5 | -69 | 167.4 | 0 | 0 | 0 | 112 | W97 F100 R136 K137 W143 N144 L187 | W97-L140 HydrophobicContact CH2-CD2 4.05Å; F100-L140 HydrophobicContact CE1-CD2 4.21Å; R136-L140 HydrophobicContact CG-CD1 4.1Å; R136-L140 WeakPolarHBondContact O-CG 3.42Å; R136-L140 PolarHBondContact O-N 3.48Å; K137-L140 PolarHBondContact O-N 3.47Å; L140-W143 PolarHBondContact O-N 3.33Å; L140-N144 WeakPolarHBondContact O-CB 3.41Å; L140-N144 PolarHBondContact O-N 2.93Å; L140-L187 HydrophobicContact CB-CD2 4.18Å; L140-L187 HydrophobicContact CD2-CD2 3.84Å; L140-L187 WeakPolarHBondContact O-CD2 3.32Å |
| 141 | D | 80 | Confident | 77 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 177.3 | -71.7 | -23.7 | 0 | 0 | 0 | 110.9 | K137 W143 N144 E145 S189 | K137-D141 WeakPolarHBondContact CG-OD2 3.33Å; K137-D141 WeakPolarHBondContact O-CB 3.27Å; K137-D141 PolarHBondContact O-N 2.74Å; D141-W143 VanDerWaalsContact C-N 3.35Å; D141-W143 PolarHBondContact O-N 3.26Å; D141-N144 WeakPolarHBondContact O-CB 3.45Å; D141-N144 PolarHBondContact O-N 3.48Å; D141-E145 WeakPolarHBondContact O-CG 3.39Å; D141-E145 PolarHBondContact O-N 3.37Å; D141-S189 PolarHBondContact OD1-OG 3.37Å |
| 142 | T | 80.9 | Confident | 78.5 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -36.6 | 178.4 | -50.2 | 0 | 0 | 0 | 0 | 112 | L70 I73 L138 M139 S146 | L70-T142 HydrophobicContact CB-CG2 4.33Å; L70-T142 HydrophobicContact CG-CG2 4.34Å; I73-T142 HydrophobicContact CD1-CG2 3.52Å; L138-T142 WeakPolarHBondContact O-CB 3.34Å; L138-T142 PolarHBondContact O-N 3.48Å; L138-T142 PolarHBondContact O-OG1 2.89Å; M139-T142 PolarHBondContact O-N 3.36Å; T142-S146 VanDerWaalsContact O-CB 3.27Å; T142-S146 WeakPolarHBondContact O-CB 3.41Å; T142-S146 PolarHBondContact O-N 2.88Å; T142-S146 PolarHBondContact O-OG 3.02Å |
| 143 | W | 83.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -40.4 | 174.7 | -175.3 | -83.2 | 0 | 0 | 0 | 111.7 | I73 A76 Y93 E96 W97 F100 M139 L140 D141 I147 F148 L187 | I73-W143 HydrophobicContact CD1-CB 4.37Å; I73-W143 HydrophobicContact CG1-CE3 4.15Å; I73-W143 HydrophobicContact CG2-CE3 4.43Å; A76-W143 HydrophobicContact CB-CH2 4.22Å; A76-W143 HydrophobicContact CB-CZ3 3.97Å; Y93-W143 HydrophobicContact CD2-CZ2 4.28Å; Y93-W143 AromaticContact CE2-CE2 3.96Å; Y93-W143 AromaticContact CE2-CZ2 3.74Å; Y93-W143 HydrophobicContact CE2-CZ2 3.74Å; Y93-W143 AromaticContact CE2-NE1 3.59Å; Y93-W143 AromaticContact CZ-NE1 3.8Å; Y93-W143 PolarHBondContact OH-NE1 3.26Å; E96-W143 HydrophobicContact CB-CH2 4.07Å; W97-W143 HydrophobicContact CB-CZ2 4.23Å; W97-W143 AromaticContact CE3-CD1 3.79Å; W97-W143 HydrophobicContact CE3-CD2 4.11Å; W97-W143 AromaticContact CE3-CE2 3.49Å; W97-W143 VanDerWaalsContact CE3-CE2 3.49Å; W97-W143 HydrophobicContact CE3-CG 4.29Å; W97-W143 AromaticContact CE3-CZ2 3.87Å; W97-W143 HydrophobicContact CE3-CZ2 3.87Å; W97-W143 AromaticContact CE3-NE1 3.24Å; W97-W143 AromaticContact CZ3-CD1 3.43Å; W97-W143 VanDerWaalsContact CZ3-CD1 3.43Å; W97-W143 HydrophobicContact CZ3-CD2 4.18Å; W97-W143 AromaticContact CZ3-CE2 3.93Å; W97-W143 AromaticContact CZ3-CG 3.91Å; W97-W143 HydrophobicContact CZ3-CG 3.91Å; W97-W143 AromaticContact CZ3-NE1 3.42Å; F100-W143 HydrophobicContact CB-CE3 3.98Å; F100-W143 HydrophobicContact CB-CH2 4.02Å; F100-W143 HydrophobicContact CB-CZ3 3.6Å; F100-W143 AromaticContact CD1-CD2 3.77Å; F100-W143 HydrophobicContact CD1-CD2 3.77Å; F100-W143 AromaticContact CD1-CE3 3.64Å; F100-W143 HydrophobicContact CD1-CE3 3.64Å; F100-W143 HydrophobicContact CD1-CG 4.16Å; F100-W143 HydrophobicContact CD1-CZ3 4.13Å; F100-W143 HydrophobicContact CD2-CD2 4.38Å; F100-W143 AromaticContact CD2-CE3 3.48Å; F100-W143 HydrophobicContact CD2-CE3 3.48Å; F100-W143 VanDerWaalsContact CD2-CE3 3.48Å; F100-W143 AromaticContact CD2-CZ3 3.82Å; F100-W143 HydrophobicContact CD2-CZ3 3.82Å; F100-W143 HydrophobicContact CE1-CB 3.73Å; F100-W143 AromaticContact CE1-CD2 3.88Å; F100-W143 HydrophobicContact CE1-CD2 3.88Å; F100-W143 AromaticContact CE1-CE3 3.94Å; F100-W143 HydrophobicContact CE1-CE3 3.94Å; F100-W143 AromaticContact CE1-CG 3.79Å; F100-W143 HydrophobicContact CE1-CG 3.79Å; F100-W143 HydrophobicContact CE2-CB 4.3Å; F100-W143 HydrophobicContact CE2-CD2 4.46Å; F100-W143 AromaticContact CE2-CE3 3.79Å; F100-W143 HydrophobicContact CE2-CE3 3.79Å; F100-W143 HydrophobicContact CG-CD2 4.03Å; F100-W143 AromaticContact CG-CE3 3.4Å; F100-W143 HydrophobicContact CG-CE3 3.4Å; F100-W143 HydrophobicContact CG-CH2 4.31Å; F100-W143 AromaticContact CG-CZ3 3.57Å; F100-W143 HydrophobicContact CG-CZ3 3.57Å; F100-W143 HydrophobicContact CZ-CB 3.6Å; F100-W143 HydrophobicContact CZ-CD2 4.22Å; F100-W143 HydrophobicContact CZ-CE3 4Å; F100-W143 HydrophobicContact CZ-CG 4.09Å; M139-W143 PolarHBondContact O-N 3.26Å; L140-W143 PolarHBondContact O-N 3.33Å; D141-W143 VanDerWaalsContact C-N 3.35Å; D141-W143 PolarHBondContact O-N 3.26Å; W143-I147 HydrophobicContact CD2-CD1 4.06Å; W143-I147 HydrophobicContact CE3-CD1 3.91Å; W143-I147 HydrophobicContact CH2-CD1 3.77Å; W143-I147 HydrophobicContact CZ2-CD1 3.92Å; W143-I147 HydrophobicContact CZ2-CG2 4.5Å; W143-I147 HydrophobicContact CZ3-CD1 3.76Å; W143-I147 PolarHBondContact O-N 3.45Å; W143-F148 PolarHBondContact O-N 2.78Å; W143-F148 VanDerWaalsContact O-N 3.16Å; W143-L187 HydrophobicContact CB-CD2 4.31Å; W143-L187 HydrophobicContact CG-CD2 4.42Å |
| 144 | N | 82.6 | Confident | 80.7 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 19% | 0.193 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -61.7 | -50.5 | 177.2 | -171 | 25.5 | 0 | 0 | 0 | 111.5 | L140 D141 F148 S149 L187 | L140-N144 WeakPolarHBondContact O-CB 3.41Å; L140-N144 PolarHBondContact O-N 2.93Å; D141-N144 WeakPolarHBondContact O-CB 3.45Å; D141-N144 PolarHBondContact O-N 3.48Å; N144-F148 WeakPolarHBondContact OD1-CD1 3.41Å; N144-S149 WeakPolarHBondContact O-CB 3.47Å; N144-S149 PolarHBondContact O-N 3.47Å; N144-S149 PolarHBondContact O-OG 2.83Å; N144-L187 HydrophobicContact CB-CB 4.45Å; N144-L187 HydrophobicContact CB-CD2 4.3Å |
| 145 | E | 81.1 | Confident | 81.3 | Confident | 141 Ų | 141 | 41 Ų | 41 | 66% | 0.659 | 21% | 0.207 | S | C | * | . | I | π-helix | trans | -64.2 | -44.1 | 179.5 | -71.7 | 179.9 | 179.8 | 0 | 0 | 112.6 | D141 S149 | D141-E145 WeakPolarHBondContact O-CG 3.39Å; D141-E145 PolarHBondContact O-N 3.37Å; E145-S149 PolarHBondContact O-OG 2.9Å; E145-S149 VanDerWaalsContact O-OG 3.1Å |
| 146 | S | 79.3 | Confident | 81.8 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -81.8 | -43.6 | -171.2 | -57 | 0 | 0 | 0 | 0 | 113.2 | Q77 T142 N150 | Q77-S146 PolarHBondContact NE2-O 3.2Å; T142-S146 VanDerWaalsContact O-CB 3.27Å; T142-S146 WeakPolarHBondContact O-CB 3.41Å; T142-S146 PolarHBondContact O-N 2.88Å; T142-S146 PolarHBondContact O-OG 3.02Å; S146-N150 PolarHBondContact O-ND2 3.05Å |
| 147 | I | 81.4 | Confident | 82.2 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -111.8 | -66.1 | -170.4 | -58.9 | 178.3 | 0 | 0 | 0 | 109.9 | I73 A76 Q77 Y93 W143 S149 N150 I151 | I73-I147 HydrophobicContact CG2-CD1 3.97Å; I73-I147 HydrophobicContact CG2-CG1 4.15Å; A76-I147 HydrophobicContact CB-CD1 4.1Å; Q77-I147 HydrophobicContact CB-CD1 3.98Å; Q77-I147 HydrophobicContact CB-CG1 3.71Å; Q77-I147 HydrophobicContact CG-CG1 4.01Å; Y93-I147 HydrophobicContact CD2-CG2 3.96Å; Y93-I147 HydrophobicContact CE2-CG2 3.83Å; W143-I147 HydrophobicContact CD2-CD1 4.06Å; W143-I147 HydrophobicContact CE3-CD1 3.91Å; W143-I147 HydrophobicContact CH2-CD1 3.77Å; W143-I147 HydrophobicContact CZ2-CD1 3.92Å; W143-I147 HydrophobicContact CZ2-CG2 4.5Å; W143-I147 HydrophobicContact CZ3-CD1 3.76Å; W143-I147 PolarHBondContact O-N 3.45Å; I147-S149 PolarHBondContact O-N 3.14Å; I147-N150 PolarHBondContact O-N 3.07Å; I147-I151 HydrophobicContact CG2-CD1 3.64Å; I147-I151 HydrophobicContact CG2-CG1 4.38Å; I147-I151 WeakPolarHBondContact O-CG1 3.29Å; I147-I151 PolarHBondContact O-N 3.21Å |
| 148 | F | 82.2 | Confident | 82.7 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -63.6 | -45.9 | -162.9 | -174.2 | -107.8 | 0 | 0 | 0 | 113.1 | Y93 W143 N144 N150 I151 K152 L155 Y184 L187 | Y93-F148 AromaticContact CZ-CD2 3.98Å; Y93-F148 WeakPolarHBondContact OH-CD2 3.29Å; W143-F148 PolarHBondContact O-N 2.78Å; W143-F148 VanDerWaalsContact O-N 3.16Å; N144-F148 WeakPolarHBondContact OD1-CD1 3.41Å; F148-N150 PolarHBondContact O-N 3.25Å; F148-N150 VanDerWaalsContact O-N 3.11Å; F148-I151 PolarHBondContact O-N 2.89Å; F148-I151 VanDerWaalsContact O-N 3.12Å; F148-K152 HydrophobicContact CD1-CB 4.35Å; F148-K152 HydrophobicContact CE1-CB 4.17Å; F148-K152 HydrophobicContact CE2-CB 4.47Å; F148-K152 HydrophobicContact CZ-CB 4.23Å; F148-K152 WeakPolarHBondContact O-CA 3.31Å; F148-K152 WeakPolarHBondContact O-CB 3.36Å; F148-K152 PolarHBondContact O-N 2.98Å; F148-L155 HydrophobicContact CD2-CD1 4.3Å; F148-L155 HydrophobicContact CE2-CD1 4.45Å; F148-Y184 HydrophobicContact CE1-CD1 4.11Å; F148-Y184 HydrophobicContact CE1-CE1 4.05Å; F148-Y184 HydrophobicContact CE1-CG 4.48Å; F148-Y184 HydrophobicContact CE2-CD2 4.3Å; F148-Y184 HydrophobicContact CE2-CE2 4.16Å; F148-Y184 AromaticContact CZ-CD1 3.72Å; F148-Y184 HydrophobicContact CZ-CD1 3.72Å; F148-Y184 AromaticContact CZ-CD2 3.71Å; F148-Y184 HydrophobicContact CZ-CD2 3.71Å; F148-Y184 AromaticContact CZ-CE1 3.69Å; F148-Y184 HydrophobicContact CZ-CE1 3.69Å; F148-Y184 AromaticContact CZ-CE2 3.68Å; F148-Y184 HydrophobicContact CZ-CE2 3.68Å; F148-Y184 AromaticContact CZ-CG 3.71Å; F148-Y184 HydrophobicContact CZ-CG 3.71Å; F148-Y184 AromaticContact CZ-CZ 3.66Å; F148-L187 HydrophobicContact CB-CD1 3.66Å; F148-L187 HydrophobicContact CD1-CD1 3.59Å; F148-L187 HydrophobicContact CD2-CD1 3.79Å; F148-L187 HydrophobicContact CE1-CD1 4.1Å; F148-L187 HydrophobicContact CE2-CD1 4.28Å; F148-L187 HydrophobicContact CG-CD1 3.4Å; F148-L187 VanDerWaalsContact CG-CD1 3.4Å; F148-L187 HydrophobicContact CZ-CD1 4.4Å |
| 149 | S | 80.9 | Confident | 83.1 | Confident | 46 Ų | 46 | 39 Ų | 39 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.9 | -32.7 | -178.4 | 64 | 0 | 0 | 0 | 0 | 113.8 | N144 E145 I147 | N144-S149 WeakPolarHBondContact O-CB 3.47Å; N144-S149 PolarHBondContact O-N 3.47Å; N144-S149 PolarHBondContact O-OG 2.83Å; E145-S149 PolarHBondContact O-OG 2.9Å; E145-S149 VanDerWaalsContact O-OG 3.1Å; I147-S149 PolarHBondContact O-N 3.14Å |
| 150 | N | 81.1 | Confident | 83.6 | Confident | 109 Ų | 109 | 39.8 Ų | 39.8 | 58% | 0.583 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -82.9 | -27.4 | -177.7 | -66.1 | -40.5 | 0 | 0 | 0 | 113.4 | S146 I147 F148 | S146-N150 PolarHBondContact O-ND2 3.05Å; I147-N150 PolarHBondContact O-N 3.07Å; F148-N150 PolarHBondContact O-N 3.25Å; F148-N150 VanDerWaalsContact O-N 3.11Å |
| 151 | I | 84.3 | Confident | 83.9 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -115.7 | -2.2 | -175.1 | 67.6 | 178.3 | 0 | 0 | 0 | 113.9 | V80 L81 Y93 I147 F148 S153 R154 L155 | V80-I151 HydrophobicContact CG1-CD1 3.92Å; L81-I151 HydrophobicContact CD2-CG2 3.73Å; Y93-I151 HydrophobicContact CD2-CD1 3.69Å; Y93-I151 HydrophobicContact CE2-CD1 4.17Å; Y93-I151 HydrophobicContact CG-CD1 4.35Å; I147-I151 HydrophobicContact CG2-CD1 3.64Å; I147-I151 HydrophobicContact CG2-CG1 4.38Å; I147-I151 WeakPolarHBondContact O-CG1 3.29Å; I147-I151 PolarHBondContact O-N 3.21Å; F148-I151 PolarHBondContact O-N 2.89Å; F148-I151 VanDerWaalsContact O-N 3.12Å; I151-S153 VanDerWaalsContact C-N 3.3Å; I151-S153 PolarHBondContact O-N 3.08Å; I151-R154 PolarHBondContact O-N 2.98Å; I151-R154 VanDerWaalsContact O-N 3.15Å; I151-L155 HydrophobicContact CB-CG 4.43Å; I151-L155 HydrophobicContact CD1-CD1 3.74Å; I151-L155 HydrophobicContact CD1-CD2 4.44Å; I151-L155 HydrophobicContact CD1-CG 4.14Å; I151-L155 HydrophobicContact CG1-CD1 3.66Å; I151-L155 HydrophobicContact CG1-CG 3.99Å; I151-L155 WeakPolarHBondContact O-CG 3.21Å; I151-L155 PolarHBondContact O-N 3.04Å |
| 152 | K | 82.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 43.9 Ų | 43.9 | 39% | 0.387 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53 | -40.4 | -173.9 | 64 | 179.6 | 179.8 | 176.8 | 0 | 114.1 | F148 Q156 Y184 | F148-K152 HydrophobicContact CD1-CB 4.35Å; F148-K152 HydrophobicContact CE1-CB 4.17Å; F148-K152 HydrophobicContact CE2-CB 4.47Å; F148-K152 HydrophobicContact CZ-CB 4.23Å; F148-K152 WeakPolarHBondContact O-CA 3.31Å; F148-K152 WeakPolarHBondContact O-CB 3.36Å; F148-K152 PolarHBondContact O-N 2.98Å; K152-Q156 VanDerWaalsContact O-CB 3.25Å; K152-Q156 WeakPolarHBondContact O-CB 3.26Å; K152-Q156 PolarHBondContact O-N 3.14Å; K152-Y184 WeakPolarHBondContact CB-OH 3.46Å; K152-Y184 PolarHBondContact O-OH 3.17Å |
| 153 | S | 84 | Confident | 84.6 | Confident | 67 Ų | 67 | 43.5 Ų | 43.5 | 47% | 0.469 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.9 | -47.8 | 179.4 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | I151 L155 Q156 D157 | I151-S153 VanDerWaalsContact C-N 3.3Å; I151-S153 PolarHBondContact O-N 3.08Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 3.42Å; S153-Q156 WeakPolarHBondContact O-CB 3.4Å; S153-Q156 PolarHBondContact O-N 3.19Å; S153-D157 PolarHBondContact O-N 3.42Å |
| 154 | R | 85.3 | Confident | 84.9 | Confident | 91 Ų | 91 | 47.3 Ų | 47.3 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 177 | -66.5 | -177.8 | 65.5 | -170 | 1 | 112.1 | Q84 D86 L89 I151 S158 | Q84-R154 PolarHBondContact O-NH2 3.06Å; D86-R154 IonicContact OD1-CZ 3.28Å; D86-R154 VanDerWaalsContact OD1-CZ 3.28Å; D86-R154 IonicContact OD1-NE 3Å; D86-R154 PolarHBondContact OD1-NE 3.44Å; D86-R154 IonicContact OD1-NH2 2.69Å; D86-R154 PolarHBondContact OD1-NH2 2.78Å; L89-R154 HydrophobicContact CD2-CB 4.44Å; I151-R154 PolarHBondContact O-N 2.98Å; I151-R154 VanDerWaalsContact O-N 3.15Å; R154-S158 VanDerWaalsContact O-CB 3.31Å; R154-S158 WeakPolarHBondContact O-CB 3.22Å; R154-S158 PolarHBondContact O-N 3.08Å; R154-S158 PolarHBondContact O-OG 3.19Å |
| 155 | L | 85.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 175.6 | -68.8 | -179.9 | 0 | 0 | 0 | 111.6 | L90 Y93 F148 I151 S153 S158 A159 V180 | L90-L155 HydrophobicContact CB-CD2 4.32Å; L90-L155 HydrophobicContact CD1-CD2 3.86Å; Y93-L155 HydrophobicContact CD1-CD1 3.65Å; Y93-L155 HydrophobicContact CD1-CD2 4.16Å; Y93-L155 HydrophobicContact CD2-CD1 4.03Å; Y93-L155 HydrophobicContact CE1-CD1 3.75Å; Y93-L155 HydrophobicContact CE2-CD1 4.09Å; Y93-L155 HydrophobicContact CG-CD1 3.81Å; Y93-L155 HydrophobicContact CG-CD2 4.1Å; F148-L155 HydrophobicContact CD2-CD1 4.3Å; F148-L155 HydrophobicContact CE2-CD1 4.45Å; I151-L155 HydrophobicContact CB-CG 4.43Å; I151-L155 HydrophobicContact CD1-CD1 3.74Å; I151-L155 HydrophobicContact CD1-CD2 4.44Å; I151-L155 HydrophobicContact CD1-CG 4.14Å; I151-L155 HydrophobicContact CG1-CD1 3.66Å; I151-L155 HydrophobicContact CG1-CG 3.99Å; I151-L155 WeakPolarHBondContact O-CG 3.21Å; I151-L155 PolarHBondContact O-N 3.04Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 3.42Å; L155-S158 PolarHBondContact O-N 3.26Å; L155-A159 WeakPolarHBondContact O-CB 3.27Å; L155-A159 PolarHBondContact O-N 2.94Å; L155-V180 HydrophobicContact CB-CG2 4.41Å |
| 156 | Q | 87.3 | Confident | 85.4 | Confident | 31 Ų | 31 | 41.6 Ų | 41.6 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -50.1 | 177.1 | -176.1 | -177.3 | -61.8 | 0 | 0 | 111.2 | K152 S153 S158 A159 M160 Y184 A205 | K152-Q156 VanDerWaalsContact O-CB 3.25Å; K152-Q156 WeakPolarHBondContact O-CB 3.26Å; K152-Q156 PolarHBondContact O-N 3.14Å; S153-Q156 WeakPolarHBondContact O-CB 3.4Å; S153-Q156 PolarHBondContact O-N 3.19Å; Q156-S158 VanDerWaalsContact C-N 3.29Å; Q156-S158 PolarHBondContact O-N 3.25Å; Q156-A159 WeakPolarHBondContact O-CB 3.49Å; Q156-A159 PolarHBondContact O-N 3.16Å; Q156-A159 VanDerWaalsContact O-N 3.16Å; Q156-M160 HydrophobicContact CG-CE 4.25Å; Q156-M160 WeakPolarHBondContact O-CG 3.5Å; Q156-M160 PolarHBondContact O-N 3.34Å; Q156-Y184 HydrophobicContact CB-CE2 4.48Å; Q156-Y184 PolarHBondContact OE1-OH 3.49Å; Q156-A205 HydrophobicContact CG-CB 4.03Å |
| 157 | D | 86.6 | Confident | 85.8 | Confident | 88 Ų | 88 | 41 Ų | 41 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61 | -40 | 179.4 | -70.3 | -19.4 | 0 | 0 | 0 | 111.7 | S153 M160 K161 | S153-D157 PolarHBondContact O-N 3.42Å; D157-M160 PolarHBondContact O-N 2.84Å; D157-K161 WeakPolarHBondContact O-CG 3.29Å; D157-K161 PolarHBondContact O-N 2.71Å |
| 158 | S | 87.1 | Confident | 86.1 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -43.1 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | D86 R154 L155 Q156 K161 L162 | D86-S158 WeakPolarHBondContact CB-OG 3.06Å; R154-S158 VanDerWaalsContact O-CB 3.31Å; R154-S158 WeakPolarHBondContact O-CB 3.22Å; R154-S158 PolarHBondContact O-N 3.08Å; R154-S158 PolarHBondContact O-OG 3.19Å; L155-S158 PolarHBondContact O-N 3.26Å; Q156-S158 VanDerWaalsContact C-N 3.29Å; Q156-S158 PolarHBondContact O-N 3.25Å; S158-K161 PolarHBondContact O-N 3.47Å; S158-L162 WeakPolarHBondContact O-CG 3.46Å; S158-L162 PolarHBondContact O-N 2.98Å; S158-L162 VanDerWaalsContact O-N 3.09Å |
| 159 | A | 87.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L155 Q156 L162 V163 V177 V180 F202 | L155-A159 WeakPolarHBondContact O-CB 3.27Å; L155-A159 PolarHBondContact O-N 2.94Å; Q156-A159 WeakPolarHBondContact O-CB 3.49Å; Q156-A159 PolarHBondContact O-N 3.16Å; Q156-A159 VanDerWaalsContact O-N 3.16Å; A159-L162 PolarHBondContact O-N 3.49Å; A159-V163 WeakPolarHBondContact O-CG2 3.4Å; A159-V163 PolarHBondContact O-N 2.85Å; A159-V177 HydrophobicContact CB-CG2 4.28Å; A159-V180 HydrophobicContact CB-CB 4.47Å; A159-V180 HydrophobicContact CB-CG1 4.39Å; A159-V180 HydrophobicContact CB-CG2 4.41Å; A159-F202 HydrophobicContact CB-CE2 4.45Å |
| 160 | M | 90.5 | Very high | 86.5 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -35.8 | 177.3 | -63.3 | -50.2 | 150 | 0 | 0 | 112.6 | Q156 D157 V163 H164 F202 A205 Y206 | Q156-M160 HydrophobicContact CG-CE 4.25Å; Q156-M160 WeakPolarHBondContact O-CG 3.5Å; Q156-M160 PolarHBondContact O-N 3.34Å; D157-M160 PolarHBondContact O-N 2.84Å; M160-V163 PolarHBondContact O-N 3.44Å; M160-H164 WeakPolarHBondContact O-CB 3.37Å; M160-H164 PolarHBondContact O-N 3.32Å; M160-F202 HydrophobicContact CE-CD2 3.93Å; M160-F202 HydrophobicContact CE-CE2 3.75Å; M160-F202 HydrophobicContact CE-CG 4.41Å; M160-F202 HydrophobicContact CE-CZ 4.09Å; M160-A205 HydrophobicContact CE-CB 4.17Å; M160-Y206 HydrophobicContact CE-CD2 4.14Å; M160-Y206 HydrophobicContact SD-CD2 4.03Å; M160-Y206 HydrophobicContact SD-CG 4.4Å |
| 161 | K | 88.4 | Confident | 86.6 | Confident | 129 Ų | 129 | 53 Ų | 53 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 172.5 | -74.9 | 172.5 | -174.4 | 172.3 | 0 | 111.9 | D86 D157 S158 H164 A165 | D86-K161 IonicContact OD2-NZ 3.87Å; D157-K161 WeakPolarHBondContact O-CG 3.29Å; D157-K161 PolarHBondContact O-N 2.71Å; S158-K161 PolarHBondContact O-N 3.47Å; K161-H164 WeakPolarHBondContact O-CB 3.39Å; K161-H164 PolarHBondContact O-N 3.18Å; K161-A165 PolarHBondContact O-N 3.13Å |
| 162 | L | 87.9 | Confident | 86.7 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.8 | -69.7 | 176.1 | 0 | 0 | 0 | 111.6 | L90 S158 A159 H164 A165 E166 F172 L176 V177 | L90-L162 HydrophobicContact CD2-CD1 3.62Å; S158-L162 WeakPolarHBondContact O-CG 3.46Å; S158-L162 PolarHBondContact O-N 2.98Å; S158-L162 VanDerWaalsContact O-N 3.09Å; A159-L162 PolarHBondContact O-N 3.49Å; L162-H164 VanDerWaalsContact C-N 3.29Å; L162-H164 PolarHBondContact O-N 2.99Å; L162-A165 PolarHBondContact O-N 3.47Å; L162-E166 PolarHBondContact O-N 3.23Å; L162-F172 VanDerWaalsContact C-CE1 3.46Å; L162-F172 HydrophobicContact CB-CD1 4.1Å; L162-F172 HydrophobicContact CB-CD2 4.01Å; L162-F172 HydrophobicContact CB-CE1 3.95Å; L162-F172 HydrophobicContact CB-CE2 3.92Å; L162-F172 HydrophobicContact CB-CG 4.14Å; L162-F172 HydrophobicContact CB-CZ 3.89Å; L162-F172 HydrophobicContact CD1-CD2 4.03Å; L162-F172 HydrophobicContact CD1-CE2 4.26Å; L162-F172 HydrophobicContact CD2-CB 4.19Å; L162-F172 HydrophobicContact CD2-CD2 4.33Å; L162-F172 HydrophobicContact CD2-CG 4.15Å; L162-F172 HydrophobicContact CG-CD2 4.37Å; L162-F172 WeakPolarHBondContact O-CD1 3.42Å; L162-F172 WeakPolarHBondContact O-CE1 3.33Å; L162-L176 HydrophobicContact CD1-CB 3.99Å; L162-L176 HydrophobicContact CD1-CD1 3.91Å; L162-V177 HydrophobicContact CB-CG2 4.31Å; L162-V177 HydrophobicContact CD1-CG2 4.5Å |
| 163 | V | 88.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 175.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | A159 M160 E166 R167 V177 Y206 Y248 | A159-V163 WeakPolarHBondContact O-CG2 3.4Å; A159-V163 PolarHBondContact O-N 2.85Å; M160-V163 PolarHBondContact O-N 3.44Å; V163-E166 PolarHBondContact O-N 3.29Å; V163-R167 WeakPolarHBondContact O-CG 3.4Å; V163-R167 PolarHBondContact O-N 3.33Å; V163-R167 VanDerWaalsContact O-N 3.14Å; V163-V177 HydrophobicContact CG2-CG1 4.13Å; V163-V177 HydrophobicContact CG2-CG2 4.03Å; V163-Y206 HydrophobicContact CG1-CE2 3.91Å; V163-Y206 HydrophobicContact CG2-CE2 3.9Å; V163-Y248 HydrophobicContact CG2-CD2 4.26Å; V163-Y248 HydrophobicContact CG2-CE2 4.41Å |
| 164 | H | 88.5 | Confident | 86.8 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 37% | 0.366 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.6 | -177.5 | 88.6 | 0 | 0 | 0 | 112.4 | M160 K161 L162 R167 L168 F213 | M160-H164 WeakPolarHBondContact O-CB 3.37Å; M160-H164 PolarHBondContact O-N 3.32Å; K161-H164 WeakPolarHBondContact O-CB 3.39Å; K161-H164 PolarHBondContact O-N 3.18Å; L162-H164 VanDerWaalsContact C-N 3.29Å; L162-H164 PolarHBondContact O-N 2.99Å; H164-R167 WeakPolarHBondContact O-CB 3.35Å; H164-R167 PolarHBondContact O-N 3.04Å; H164-L168 PolarHBondContact O-N 3.28Å; H164-F213 AromaticContact CE1-CD2 3.45Å; H164-F213 VanDerWaalsContact CE1-CD2 3.45Å; H164-F213 WeakPolarHBondContact CE1-CD2 3.47Å; H164-F213 AromaticContact CE1-CE2 3.77Å; H164-F213 AromaticContact ND1-CD2 3.46Å; H164-F213 WeakPolarHBondContact ND1-CD2 3.25Å; H164-F213 AromaticContact ND1-CE2 3.98Å |
| 165 | A | 87.6 | Confident | 86.8 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K161 L162 R167 L168 G169 E170 | K161-A165 PolarHBondContact O-N 3.13Å; L162-A165 PolarHBondContact O-N 3.47Å; A165-R167 VanDerWaalsContact C-N 3.31Å; A165-R167 PolarHBondContact O-N 2.98Å; A165-L168 CarbonylContact O-C 3.52Å; A165-L168 WeakPolarHBondContact O-CA 3.48Å; A165-L168 WeakPolarHBondContact O-CB 3.45Å; A165-L168 PolarHBondContact O-N 3.3Å; A165-G169 PolarHBondContact O-N 3.45Å; A165-E170 HydrophobicContact CB-CB 4.14Å; A165-E170 WeakPolarHBondContact O-CB 3.26Å; A165-E170 PolarHBondContact O-N 3.5Å |
| 166 | E | 88.3 | Confident | 86.8 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.9 | -31 | 175 | -177.6 | -167.3 | -132.5 | 0 | 0 | 112.8 | L162 V163 L168 G169 E170 F172 R244 R247 Y248 | L162-E166 PolarHBondContact O-N 3.23Å; V163-E166 PolarHBondContact O-N 3.29Å; E166-L168 PolarHBondContact O-N 2.87Å; E166-G169 PolarHBondContact O-N 3.4Å; E166-E170 VanDerWaalsContact CA-O 3.26Å; E166-E170 WeakPolarHBondContact CA-O 3.46Å; E166-F172 HydrophobicContact CB-CD1 3.81Å; E166-F172 HydrophobicContact CB-CE1 3.44Å; E166-F172 VanDerWaalsContact CB-CE1 3.44Å; E166-F172 HydrophobicContact CG-CE1 4.19Å; E166-R244 IonicContact OE2-CZ 3.21Å; E166-R244 IonicContact OE2-NE 3.51Å; E166-R244 PolarHBondContact OE2-NE 3.44Å; E166-R244 IonicContact OE2-NH2 3.55Å; E166-R247 IonicContact OE1-NH1 3.96Å; E166-Y248 PolarHBondContact OE1-OH 2.91Å; E166-Y248 VanDerWaalsContact OE1-OH 3.14Å; E166-Y248 WeakPolarHBondContact OE2-CE2 3.3Å; E166-Y248 PolarHBondContact OE2-OH 2.94Å |
| 167 | R | 86.6 | Confident | 86.8 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64 | -28.3 | 171.2 | -71.5 | 172.6 | 172.3 | 142 | 9.9 | 113 | V163 H164 A165 G169 T210 F213 E241 | V163-R167 WeakPolarHBondContact O-CG 3.4Å; V163-R167 PolarHBondContact O-N 3.33Å; V163-R167 VanDerWaalsContact O-N 3.14Å; H164-R167 WeakPolarHBondContact O-CB 3.35Å; H164-R167 PolarHBondContact O-N 3.04Å; A165-R167 VanDerWaalsContact C-N 3.31Å; A165-R167 PolarHBondContact O-N 2.98Å; R167-G169 VanDerWaalsContact C-N 3.3Å; R167-T210 PolarHBondContact NH1-OG1 3.22Å; R167-T210 VanDerWaalsContact NH2-CG2 3.34Å; R167-T210 PolarHBondContact NH2-OG1 3.42Å; R167-F213 HydrophobicContact CB-CE1 3.9Å; R167-F213 HydrophobicContact CB-CE2 4.11Å; R167-F213 HydrophobicContact CB-CZ 3.65Å; R167-F213 HydrophobicContact CG-CE1 4.36Å; R167-E241 IonicContact CZ-OE1 2.62Å; R167-E241 IonicContact CZ-OE2 3.78Å; R167-E241 IonicContact NE-OE1 2.8Å; R167-E241 PolarHBondContact NE-OE1 3.33Å; R167-E241 IonicContact NE-OE2 3.73Å; R167-E241 IonicContact NH2-OE1 3.12Å; R167-E241 PolarHBondContact NH2-OE1 2.95Å; R167-E241 IonicContact NH2-OE2 3.55Å; R167-E241 PolarHBondContact NH2-OE2 3.04Å |
| 168 | L | 87.1 | Confident | 86.7 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 59% | 0.586 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.9 | 173.3 | -63.2 | 172.5 | 0 | 0 | 0 | 112.8 | H164 A165 E166 F213 | H164-L168 PolarHBondContact O-N 3.28Å; A165-L168 CarbonylContact O-C 3.52Å; A165-L168 WeakPolarHBondContact O-CA 3.48Å; A165-L168 WeakPolarHBondContact O-CB 3.45Å; A165-L168 PolarHBondContact O-N 3.3Å; E166-L168 PolarHBondContact O-N 2.87Å; L168-F213 HydrophobicContact CD2-CE2 4.18Å; L168-F213 HydrophobicContact CD2-CZ 4.4Å |
| 169 | G | 84.7 | Confident | 86.5 | Confident | 66 Ų | 66 | 46 Ų | 46 | 68% | 0.68 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | 6.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A165 E166 R167 | A165-G169 PolarHBondContact O-N 3.45Å; E166-G169 PolarHBondContact O-N 3.4Å; R167-G169 VanDerWaalsContact C-N 3.3Å |
| 170 | E | 87.3 | Confident | 86.4 | Confident | 127 Ų | 127 | 46 Ų | 46 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | trans | -80.7 | 128.6 | 177.7 | -62.8 | -172.1 | 176 | 0 | 0 | 111.9 | A165 E166 | A165-E170 HydrophobicContact CB-CB 4.14Å; A165-E170 WeakPolarHBondContact O-CB 3.26Å; A165-E170 PolarHBondContact O-N 3.5Å; E166-E170 VanDerWaalsContact CA-O 3.26Å; E166-E170 WeakPolarHBondContact CA-O 3.46Å | ||
| 171 | A | 83.1 | Confident | 86.1 | Confident | 108 Ų | 108 | 46.7 Ų | 46.7 | 89% | 0.893 | 26% | 0.261 | S | S | * | . | trans | -82.8 | 130 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 172 | F | 86.6 | Confident | 85.9 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | trans | -135.5 | 164.6 | 174.1 | 74.7 | -94.9 | 0 | 0 | 0 | 111.8 | L162 E166 S174 V177 Y248 | L162-F172 VanDerWaalsContact C-CE1 3.46Å; L162-F172 HydrophobicContact CB-CD1 4.1Å; L162-F172 HydrophobicContact CB-CD2 4.01Å; L162-F172 HydrophobicContact CB-CE1 3.95Å; L162-F172 HydrophobicContact CB-CE2 3.92Å; L162-F172 HydrophobicContact CB-CG 4.14Å; L162-F172 HydrophobicContact CB-CZ 3.89Å; L162-F172 HydrophobicContact CD1-CD2 4.03Å; L162-F172 HydrophobicContact CD1-CE2 4.26Å; L162-F172 HydrophobicContact CD2-CB 4.19Å; L162-F172 HydrophobicContact CD2-CD2 4.33Å; L162-F172 HydrophobicContact CD2-CG 4.15Å; L162-F172 HydrophobicContact CG-CD2 4.37Å; L162-F172 WeakPolarHBondContact O-CD1 3.42Å; L162-F172 WeakPolarHBondContact O-CE1 3.33Å; E166-F172 HydrophobicContact CB-CD1 3.81Å; E166-F172 HydrophobicContact CB-CE1 3.44Å; E166-F172 VanDerWaalsContact CB-CE1 3.44Å; E166-F172 HydrophobicContact CG-CE1 4.19Å; F172-S174 PolarHBondContact O-N 3.28Å; F172-V177 HydrophobicContact CE2-CB 4.45Å; F172-V177 HydrophobicContact CE2-CG2 3.58Å; F172-V177 HydrophobicContact CZ-CG2 3.74Å; F172-Y248 HydrophobicContact CZ-CE2 4.24Å; F172-Y248 AromaticContact CZ-CZ 3.81Å; F172-Y248 VanDerWaalsContact CZ-OH 3.31Å; F172-Y248 WeakPolarHBondContact CZ-OH 3.45Å | ||
| 173 | D | 84.6 | Confident | 85.6 | Confident | 90 Ų | 90 | 42 Ų | 42 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | trans | -69.7 | 105.4 | 175.2 | -176.8 | 8.7 | 0 | 0 | 0 | 111 | Q175 L176 | D173-Q175 PolarHBondContact O-N 2.94Å; D173-Q175 VanDerWaalsContact OD1-CB 3.3Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.16Å; D173-Q175 WeakPolarHBondContact OD1-CG 3.44Å; D173-Q175 PolarHBondContact OD1-N 3.27Å; D173-L176 HydrophobicContact CB-CD1 4.36Å; D173-L176 HydrophobicContact CB-CG 4.28Å; D173-L176 WeakPolarHBondContact O-CB 3.31Å; D173-L176 WeakPolarHBondContact O-CG 3.49Å; D173-L176 PolarHBondContact O-N 2.86Å | ||
| 174 | S | 84.6 | Confident | 85.2 | Confident | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.6 | -178.9 | -69.7 | 0 | 0 | 0 | 0 | 114.4 | F172 L176 V177 I178 R247 Y248 | F172-S174 PolarHBondContact O-N 3.28Å; S174-L176 PolarHBondContact O-N 2.92Å; S174-V177 PolarHBondContact O-N 3.4Å; S174-I178 WeakPolarHBondContact O-CD1 3.3Å; S174-I178 VanDerWaalsContact O-CG1 3.25Å; S174-I178 WeakPolarHBondContact O-CG1 3.46Å; S174-I178 PolarHBondContact O-N 3.02Å; S174-I178 VanDerWaalsContact O-N 3.1Å; S174-R247 VanDerWaalsContact CB-NH2 3.29Å; S174-R247 PolarHBondContact OG-NE 3.49Å; S174-R247 PolarHBondContact OG-NH1 2.87Å; S174-R247 PolarHBondContact OG-NH2 2.94Å; S174-Y248 PolarHBondContact OG-OH 3.2Å |
| 175 | Q | 84.8 | Confident | 84.8 | Confident | 70 Ų | 70 | 38.5 Ų | 38.5 | 33% | 0.327 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66 | -21.9 | 175.6 | -65.1 | -62.2 | -29.9 | 0 | 0 | 113.3 | D173 G179 | D173-Q175 PolarHBondContact O-N 2.94Å; D173-Q175 VanDerWaalsContact OD1-CB 3.3Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.16Å; D173-Q175 WeakPolarHBondContact OD1-CG 3.44Å; D173-Q175 PolarHBondContact OD1-N 3.27Å; Q175-G179 PolarHBondContact O-N 3.41Å |
| 176 | L | 85.9 | Confident | 84.3 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.8 | -43.8 | 176.1 | -60.4 | 176.6 | 0 | 0 | 0 | 111.5 | L90 K91 I94 L162 D173 S174 V180 | L90-L176 HydrophobicContact CD2-CB 4.02Å; L90-L176 HydrophobicContact CG-CB 4.28Å; L90-L176 HydrophobicContact CG-CD2 4.44Å; K91-L176 HydrophobicContact CB-CD2 4.45Å; K91-L176 HydrophobicContact CG-CD1 4.11Å; K91-L176 HydrophobicContact CG-CD2 3.81Å; I94-L176 HydrophobicContact CB-CD2 4.25Å; I94-L176 WeakPolarHBondContact CD1-O 3.46Å; I94-L176 HydrophobicContact CG1-CD2 4.14Å; I94-L176 HydrophobicContact CG2-CD2 4.47Å; L162-L176 HydrophobicContact CD1-CB 3.99Å; L162-L176 HydrophobicContact CD1-CD1 3.91Å; D173-L176 HydrophobicContact CB-CD1 4.36Å; D173-L176 HydrophobicContact CB-CG 4.28Å; D173-L176 WeakPolarHBondContact O-CB 3.31Å; D173-L176 WeakPolarHBondContact O-CG 3.49Å; D173-L176 PolarHBondContact O-N 2.86Å; S174-L176 PolarHBondContact O-N 2.92Å; L176-V180 WeakPolarHBondContact O-CG2 3.4Å; L176-V180 PolarHBondContact O-N 3.35Å |
| 177 | V | 86.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.6 | -41.3 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | A159 L162 V163 F172 S174 G179 V180 R181 F202 Y248 | A159-V177 HydrophobicContact CB-CG2 4.28Å; L162-V177 HydrophobicContact CB-CG2 4.31Å; L162-V177 HydrophobicContact CD1-CG2 4.5Å; V163-V177 HydrophobicContact CG2-CG1 4.13Å; V163-V177 HydrophobicContact CG2-CG2 4.03Å; F172-V177 HydrophobicContact CE2-CB 4.45Å; F172-V177 HydrophobicContact CE2-CG2 3.58Å; F172-V177 HydrophobicContact CZ-CG2 3.74Å; S174-V177 PolarHBondContact O-N 3.4Å; V177-G179 PolarHBondContact O-N 3.25Å; V177-V180 PolarHBondContact O-N 3.19Å; V177-R181 PolarHBondContact O-N 3Å; V177-F202 HydrophobicContact CG1-CZ 4.05Å; V177-Y248 HydrophobicContact CB-CD1 3.99Å; V177-Y248 HydrophobicContact CB-CE1 4.14Å; V177-Y248 HydrophobicContact CB-CG 4.44Å; V177-Y248 HydrophobicContact CG1-CD1 3.8Å; V177-Y248 HydrophobicContact CG1-CD2 4.34Å; V177-Y248 HydrophobicContact CG1-CE1 4.39Å; V177-Y248 HydrophobicContact CG1-CG 3.81Å |
| 178 | I | 85.3 | Confident | 82.7 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 177.1 | -67.9 | 167.4 | 0 | 0 | 0 | 111.2 | S174 V180 R181 E182 Y248 | S174-I178 WeakPolarHBondContact O-CD1 3.3Å; S174-I178 VanDerWaalsContact O-CG1 3.25Å; S174-I178 WeakPolarHBondContact O-CG1 3.46Å; S174-I178 PolarHBondContact O-N 3.02Å; S174-I178 VanDerWaalsContact O-N 3.1Å; I178-V180 PolarHBondContact O-N 2.94Å; I178-R181 WeakPolarHBondContact O-CB 3.36Å; I178-R181 PolarHBondContact O-N 3.43Å; I178-E182 HydrophobicContact CG2-CG 4.39Å; I178-E182 WeakPolarHBondContact CG2-OE1 3.16Å; I178-E182 WeakPolarHBondContact O-CG 3.35Å; I178-E182 PolarHBondContact O-N 3.49Å; I178-Y248 HydrophobicContact CG1-CD1 4.08Å; I178-Y248 HydrophobicContact CG1-CE1 4.47Å |
| 179 | G | 82.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.1 | -28.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I94 Q175 V177 S183 | I94-G179 VanDerWaalsContact CD1-CA 3.48Å; Q175-G179 PolarHBondContact O-N 3.41Å; V177-G179 PolarHBondContact O-N 3.25Å; G179-S183 PolarHBondContact O-N 3.49Å; G179-S183 PolarHBondContact O-OG 3.38Å |
| 180 | V | 84.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67 | -47.4 | 169.4 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | L90 I94 L155 A159 L176 V177 I178 E182 S183 Y184 F202 | L90-V180 HydrophobicContact CD1-CG2 3.33Å; I94-V180 HydrophobicContact CD1-CG2 4.09Å; L155-V180 HydrophobicContact CB-CG2 4.41Å; A159-V180 HydrophobicContact CB-CB 4.47Å; A159-V180 HydrophobicContact CB-CG1 4.39Å; A159-V180 HydrophobicContact CB-CG2 4.41Å; L176-V180 WeakPolarHBondContact O-CG2 3.4Å; L176-V180 PolarHBondContact O-N 3.35Å; V177-V180 PolarHBondContact O-N 3.19Å; I178-V180 PolarHBondContact O-N 2.94Å; V180-E182 PolarHBondContact O-N 3.46Å; V180-S183 WeakPolarHBondContact O-CB 3.35Å; V180-S183 PolarHBondContact O-N 2.69Å; V180-S183 VanDerWaalsContact O-N 3.13Å; V180-Y184 HydrophobicContact CG1-CD2 3.74Å; V180-Y184 HydrophobicContact CG1-CE2 3.65Å; V180-Y184 VanDerWaalsContact O-CD2 3.31Å; V180-Y184 WeakPolarHBondContact O-CD2 3.34Å; V180-Y184 PolarHBondContact O-N 2.8Å; V180-F202 HydrophobicContact CB-CE2 4.41Å; V180-F202 HydrophobicContact CG1-CD2 4.01Å; V180-F202 HydrophobicContact CG1-CE2 3.84Å |
| 181 | R | 85.6 | Confident | 78.9 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 11% | 0.109 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.3 | -50.8 | 173.8 | 179.3 | -151.3 | 63.3 | -171.2 | -1.6 | 111.3 | V177 I178 S183 Y184 V185 Y198 F202 Y248 L249 | V177-R181 PolarHBondContact O-N 3Å; I178-R181 WeakPolarHBondContact O-CB 3.36Å; I178-R181 PolarHBondContact O-N 3.43Å; R181-S183 PolarHBondContact O-N 3.33Å; R181-Y184 PolarHBondContact O-N 2.83Å; R181-Y184 VanDerWaalsContact O-N 3.08Å; R181-V185 HydrophobicContact CG-CG2 4.41Å; R181-V185 WeakPolarHBondContact O-CG2 3.5Å; R181-V185 PolarHBondContact O-N 2.84Å; R181-Y198 HydrophobicContact CG-CD2 4.3Å; R181-Y198 HydrophobicContact CG-CE2 3.83Å; R181-F202 HydrophobicContact CB-CE1 4.08Å; R181-F202 HydrophobicContact CB-CZ 4.12Å; R181-F202 HydrophobicContact CG-CE1 4.3Å; R181-Y248 VanDerWaalsContact CD-O 3.22Å; R181-Y248 WeakPolarHBondContact CD-O 3.38Å; R181-L249 PolarHBondContact NH1-O 3.34Å |
| 182 | E | 83 | Confident | 77.7 | Confident | 55 Ų | 55 | 37.1 Ų | 37.1 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.9 | -35.3 | 178.9 | -75.4 | 173.1 | 178.4 | 0 | 0 | 112.4 | I178 V180 V185 N186 | I178-E182 HydrophobicContact CG2-CG 4.39Å; I178-E182 WeakPolarHBondContact CG2-OE1 3.16Å; I178-E182 WeakPolarHBondContact O-CG 3.35Å; I178-E182 PolarHBondContact O-N 3.49Å; V180-E182 PolarHBondContact O-N 3.46Å; E182-V185 PolarHBondContact O-N 3.3Å; E182-N186 VanDerWaalsContact O-CB 3.23Å; E182-N186 WeakPolarHBondContact O-CB 3.41Å; E182-N186 VanDerWaalsContact O-CG 3.27Å; E182-N186 PolarHBondContact O-N 3.43Å; E182-N186 PolarHBondContact O-ND2 3.33Å |
| 183 | S | 82.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -48.7 | 172.4 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | Y93 W97 G179 V180 R181 V185 L187 | Y93-S183 WeakPolarHBondContact CE1-OG 3.37Å; Y93-S183 WeakPolarHBondContact OH-CB 3.34Å; Y93-S183 PolarHBondContact OH-OG 3.18Å; W97-S183 VanDerWaalsContact CE2-OG 3.27Å; W97-S183 PolarHBondContact NE1-OG 3.21Å; G179-S183 PolarHBondContact O-N 3.49Å; G179-S183 PolarHBondContact O-OG 3.38Å; V180-S183 WeakPolarHBondContact O-CB 3.35Å; V180-S183 PolarHBondContact O-N 2.69Å; V180-S183 VanDerWaalsContact O-N 3.13Å; R181-S183 PolarHBondContact O-N 3.33Å; S183-V185 VanDerWaalsContact C-N 3.3Å; S183-V185 PolarHBondContact O-N 3.5Å; S183-L187 WeakPolarHBondContact O-CB 3.13Å; S183-L187 WeakPolarHBondContact O-CD1 3.31Å; S183-L187 WeakPolarHBondContact O-CG 3.3Å; S183-L187 PolarHBondContact O-N 3.02Å |
| 184 | Y | 80.6 | Confident | 75.9 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -33.9 | 178.3 | -86.4 | -77.1 | 0 | 0 | 0 | 113.7 | F148 K152 Q156 V180 R181 I197 N201 F202 | F148-Y184 HydrophobicContact CE1-CD1 4.11Å; F148-Y184 HydrophobicContact CE1-CE1 4.05Å; F148-Y184 HydrophobicContact CE1-CG 4.48Å; F148-Y184 HydrophobicContact CE2-CD2 4.3Å; F148-Y184 HydrophobicContact CE2-CE2 4.16Å; F148-Y184 AromaticContact CZ-CD1 3.72Å; F148-Y184 HydrophobicContact CZ-CD1 3.72Å; F148-Y184 AromaticContact CZ-CD2 3.71Å; F148-Y184 HydrophobicContact CZ-CD2 3.71Å; F148-Y184 AromaticContact CZ-CE1 3.69Å; F148-Y184 HydrophobicContact CZ-CE1 3.69Å; F148-Y184 AromaticContact CZ-CE2 3.68Å; F148-Y184 HydrophobicContact CZ-CE2 3.68Å; F148-Y184 AromaticContact CZ-CG 3.71Å; F148-Y184 HydrophobicContact CZ-CG 3.71Å; F148-Y184 AromaticContact CZ-CZ 3.66Å; K152-Y184 WeakPolarHBondContact CB-OH 3.46Å; K152-Y184 PolarHBondContact O-OH 3.17Å; Q156-Y184 HydrophobicContact CB-CE2 4.48Å; Q156-Y184 PolarHBondContact OE1-OH 3.49Å; V180-Y184 HydrophobicContact CG1-CD2 3.74Å; V180-Y184 HydrophobicContact CG1-CE2 3.65Å; V180-Y184 VanDerWaalsContact O-CD2 3.31Å; V180-Y184 WeakPolarHBondContact O-CD2 3.34Å; V180-Y184 PolarHBondContact O-N 2.8Å; R181-Y184 PolarHBondContact O-N 2.83Å; R181-Y184 VanDerWaalsContact O-N 3.08Å; Y184-I197 HydrophobicContact CD1-CG2 4.14Å; Y184-N201 HydrophobicContact CD1-CB 4.33Å; Y184-N201 HydrophobicContact CE1-CB 3.8Å; Y184-F202 HydrophobicContact CD1-CB 4.31Å; Y184-F202 HydrophobicContact CD2-CB 3.9Å; Y184-F202 AromaticContact CD2-CD2 3.81Å; Y184-F202 HydrophobicContact CD2-CD2 3.81Å; Y184-F202 HydrophobicContact CD2-CG 4.18Å; Y184-F202 HydrophobicContact CE2-CB 4.36Å; Y184-F202 HydrophobicContact CE2-CD2 4.06Å; Y184-F202 HydrophobicContact CG-CB 3.89Å |
| 185 | V | 80.4 | Confident | 75.4 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -80.7 | -43.8 | 179.5 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | R181 E182 S183 L195 Y198 | R181-V185 HydrophobicContact CG-CG2 4.41Å; R181-V185 WeakPolarHBondContact O-CG2 3.5Å; R181-V185 PolarHBondContact O-N 2.84Å; E182-V185 PolarHBondContact O-N 3.3Å; S183-V185 VanDerWaalsContact C-N 3.3Å; S183-V185 PolarHBondContact O-N 3.5Å; V185-L195 HydrophobicContact CG1-CD2 3.77Å; V185-L195 HydrophobicContact CG2-CD2 4.22Å; V185-Y198 HydrophobicContact CG2-CD1 4.47Å; V185-Y198 HydrophobicContact CG2-CD2 3.67Å; V185-Y198 HydrophobicContact CG2-CE2 4.32Å; V185-Y198 HydrophobicContact CG2-CG 3.76Å |
| 186 | N | 76.2 | Confident | 75 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -85.9 | -20 | -172.4 | -62.3 | -38.4 | 0 | 0 | 0 | 113.7 | W97 F101 E182 C188 | W97-N186 HydrophobicContact CZ2-CB 4.35Å; F101-N186 HydrophobicContact CE2-CB 3.91Å; F101-N186 WeakPolarHBondContact CE2-ND2 3.44Å; F101-N186 VanDerWaalsContact CZ-ND2 3.32Å; F101-N186 WeakPolarHBondContact CZ-ND2 3.45Å; E182-N186 VanDerWaalsContact O-CB 3.23Å; E182-N186 WeakPolarHBondContact O-CB 3.41Å; E182-N186 VanDerWaalsContact O-CG 3.27Å; E182-N186 PolarHBondContact O-N 3.43Å; E182-N186 PolarHBondContact O-ND2 3.33Å; N186-C188 VanDerWaalsContact C-N 3.28Å |
| 187 | L | 73.8 | Confident | 74.6 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 8.8 | 176.4 | -61 | 169.6 | 0 | 0 | 0 | 113 | W97 L140 W143 N144 F148 S183 S189 | W97-L187 HydrophobicContact CH2-CD1 3.98Å; W97-L187 HydrophobicContact CH2-CD2 3.65Å; W97-L187 HydrophobicContact CH2-CG 3.65Å; W97-L187 HydrophobicContact CZ3-CD1 4.03Å; W97-L187 HydrophobicContact CZ3-CD2 3.79Å; W97-L187 HydrophobicContact CZ3-CG 4.08Å; L140-L187 HydrophobicContact CB-CD2 4.18Å; L140-L187 HydrophobicContact CD2-CD2 3.84Å; L140-L187 WeakPolarHBondContact O-CD2 3.32Å; W143-L187 HydrophobicContact CB-CD2 4.31Å; W143-L187 HydrophobicContact CG-CD2 4.42Å; N144-L187 HydrophobicContact CB-CB 4.45Å; N144-L187 HydrophobicContact CB-CD2 4.3Å; F148-L187 HydrophobicContact CB-CD1 3.66Å; F148-L187 HydrophobicContact CD1-CD1 3.59Å; F148-L187 HydrophobicContact CD2-CD1 3.79Å; F148-L187 HydrophobicContact CE1-CD1 4.1Å; F148-L187 HydrophobicContact CE2-CD1 4.28Å; F148-L187 HydrophobicContact CG-CD1 3.4Å; F148-L187 VanDerWaalsContact CG-CD1 3.4Å; F148-L187 HydrophobicContact CZ-CD1 4.4Å; S183-L187 WeakPolarHBondContact O-CB 3.13Å; S183-L187 WeakPolarHBondContact O-CD1 3.31Å; S183-L187 WeakPolarHBondContact O-CG 3.3Å; S183-L187 PolarHBondContact O-N 3.02Å; L187-S189 PolarHBondContact O-N 2.92Å |
| 188 | C | 66.8 | Low | 74.5 | Confident | 16 Ų | 16 | 41 Ų | 41 | 11% | 0.108 | 21% | 0.213 | C | C | . | . | trans | -76.9 | 111.4 | 175.2 | -166.8 | 0 | 0 | 0 | 0 | 110.7 | N186 N190 K194 I197 | N186-C188 VanDerWaalsContact C-N 3.28Å; C188-N190 VanDerWaalsContact C-N 3.3Å; C188-N190 PolarHBondContact O-N 3.23Å; C188-K194 WeakPolarHBondContact CB-O 3.43Å; C188-I197 HydrophobicContact CB-CD1 4.45Å | ||
| 189 | S | 58.8 | Low | 74.3 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | trans | -83.4 | 1.7 | -179.3 | -44.8 | 0 | 0 | 0 | 0 | 113.9 | D141 L187 P191 | D141-S189 PolarHBondContact OD1-OG 3.37Å; L187-S189 PolarHBondContact O-N 2.92Å; S189-P191 WeakPolarHBondContact O-CD 3.46Å | ||
| 190 | N | 60.9 | Low | 74.3 | Confident | 48 Ų | 48 | 50 Ų | 50 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | trans | -79 | 117 | -177.7 | -170.8 | -10.1 | 0 | 0 | 0 | 111.3 | C188 E192 Q196 | C188-N190 VanDerWaalsContact C-N 3.3Å; C188-N190 PolarHBondContact O-N 3.23Å; N190-E192 VanDerWaalsContact C-N 3.33Å; N190-E192 PolarHBondContact O-N 3.08Å; N190-E192 PolarHBondContact OD1-N 2.9Å; N190-E192 VanDerWaalsContact OD1-N 3.08Å; N190-Q196 PolarHBondContact ND2-OE1 2.98Å | ||
| 191 | P | 59.2 | Low | 74.3 | Confident | 111 Ų | 111 | 52.7 Ų | 52.7 | 72% | 0.721 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -72.2 | -20.6 | -178.8 | 28.4 | -34.4 | 0 | 0 | 0 | 114.3 | S189 | S189-P191 WeakPolarHBondContact O-CD 3.46Š|
| 192 | E | 59 | Low | 74.3 | Confident | 187 Ų | 187 | 51.3 Ų | 51.3 | 87% | 0.874 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -90 | -30 | 179.7 | -63.8 | -168.8 | 161.2 | 0 | 0 | 112.8 | N190 | N190-E192 VanDerWaalsContact C-N 3.33Å; N190-E192 PolarHBondContact O-N 3.08Å; N190-E192 PolarHBondContact OD1-N 2.9Å; N190-E192 VanDerWaalsContact OD1-N 3.08Å |
| 193 | D | 67 | Low | 74.5 | Confident | 43 Ų | 43 | 49.6 Ų | 49.6 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | trans | -145.9 | 88.3 | -176.4 | -175.8 | -0.9 | 0 | 0 | 0 | 111.5 | L195 Q196 R199 | D193-L195 PolarHBondContact O-N 3.35Å; D193-L195 PolarHBondContact OD1-N 3.49Å; D193-L195 VanDerWaalsContact OD1-N 3.11Å; D193-Q196 HydrophobicContact CB-CB 4.3Å; D193-Q196 PolarHBondContact O-N 3Å; D193-Q196 PolarHBondContact OD1-N 3.04Å; D193-R199 IonicContact OD1-CZ 3.66Å; D193-R199 IonicContact OD1-NH2 2.98Å; D193-R199 PolarHBondContact OD1-NH2 3.02Å; D193-R199 IonicContact OD2-CZ 3.41Å; D193-R199 IonicContact OD2-NH2 2.79Å; D193-R199 PolarHBondContact OD2-NH2 2.95Å | ||
| 194 | K | 66.3 | Low | 74.8 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -8.1 | -179.9 | -63.6 | -174.2 | 179.8 | -175.3 | 0 | 113.4 | D132 C188 | D132-K194 IonicContact OD1-NZ 3.84Å; C188-K194 WeakPolarHBondContact CB-O 3.43Å |
| 195 | L | 74.1 | Confident | 75.2 | Confident | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.094 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -1.7 | -176.9 | -66.7 | 172.8 | 0 | 0 | 0 | 114.1 | V185 D193 I197 Y198 R199 E250 C255 | V185-L195 HydrophobicContact CG1-CD2 3.77Å; V185-L195 HydrophobicContact CG2-CD2 4.22Å; D193-L195 PolarHBondContact O-N 3.35Å; D193-L195 PolarHBondContact OD1-N 3.49Å; D193-L195 VanDerWaalsContact OD1-N 3.11Å; L195-I197 PolarHBondContact O-N 2.91Å; L195-Y198 HydrophobicContact CD2-CD1 4.3Å; L195-Y198 PolarHBondContact O-N 3.41Å; L195-R199 WeakPolarHBondContact O-CG 3.31Å; L195-R199 PolarHBondContact O-N 3.34Å; L195-E250 HydrophobicContact CD2-CG 4.22Å; L195-C255 HydrophobicContact CD1-CB 3.93Å |
| 196 | Q | 76.3 | Confident | 75.7 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 36% | 0.36 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.8 | -51.7 | -175 | -170.1 | 178.6 | 11.8 | 0 | 0 | 113.2 | N190 D193 Y198 R199 D200 | N190-Q196 PolarHBondContact ND2-OE1 2.98Å; D193-Q196 HydrophobicContact CB-CB 4.3Å; D193-Q196 PolarHBondContact O-N 3Å; D193-Q196 PolarHBondContact OD1-N 3.04Å; Q196-Y198 VanDerWaalsContact C-N 3.28Å; Q196-Y198 PolarHBondContact O-N 3.04Å; Q196-R199 PolarHBondContact O-N 3.36Å; Q196-R199 VanDerWaalsContact O-N 3.16Å; Q196-D200 PolarHBondContact O-N 3.13Å |
| 197 | I | 77.6 | Confident | 76.3 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 30% | 0.303 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.2 | -34.7 | -177.7 | -62.4 | -178.5 | 0 | 0 | 0 | 111.5 | Y184 C188 L195 N201 | Y184-I197 HydrophobicContact CD1-CG2 4.14Å; C188-I197 HydrophobicContact CB-CD1 4.45Å; L195-I197 PolarHBondContact O-N 2.91Å; I197-N201 WeakPolarHBondContact O-CB 3.41Å; I197-N201 PolarHBondContact O-N 2.99Å; I197-N201 PolarHBondContact O-ND2 2.88Å |
| 198 | Y | 83.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -65.8 | -45 | 174.4 | 160.8 | -95.3 | 0 | 0 | 0 | 111.2 | R181 V185 L195 Q196 F202 E203 E250 S257 | R181-Y198 HydrophobicContact CG-CD2 4.3Å; R181-Y198 HydrophobicContact CG-CE2 3.83Å; V185-Y198 HydrophobicContact CG2-CD1 4.47Å; V185-Y198 HydrophobicContact CG2-CD2 3.67Å; V185-Y198 HydrophobicContact CG2-CE2 4.32Å; V185-Y198 HydrophobicContact CG2-CG 3.76Å; L195-Y198 HydrophobicContact CD2-CD1 4.3Å; L195-Y198 PolarHBondContact O-N 3.41Å; Q196-Y198 VanDerWaalsContact C-N 3.28Å; Q196-Y198 PolarHBondContact O-N 3.04Å; Y198-F202 HydrophobicContact CD2-CB 4.05Å; Y198-F202 HydrophobicContact CD2-CD1 4.03Å; Y198-F202 HydrophobicContact CD2-CG 4.37Å; Y198-F202 HydrophobicContact CE2-CB 4.41Å; Y198-F202 AromaticContact CE2-CD1 3.58Å; Y198-F202 HydrophobicContact CE2-CD1 3.58Å; Y198-F202 HydrophobicContact CE2-CE1 4.31Å; Y198-F202 HydrophobicContact CE2-CG 4.36Å; Y198-F202 PolarHBondContact O-N 3.35Å; Y198-E203 HydrophobicContact CE1-CB 4.18Å; Y198-E203 PolarHBondContact O-N 3.37Å; Y198-E250 HydrophobicContact CE1-CB 4.04Å; Y198-E250 HydrophobicContact CE2-CB 4.42Å; Y198-E250 PolarHBondContact OH-N 3.2Å; Y198-E250 VanDerWaalsContact OH-N 3.08Å; Y198-S257 VanDerWaalsContact CE1-OG 3.31Å; Y198-S257 WeakPolarHBondContact CE1-OG 3.3Å; Y198-S257 PolarHBondContact OH-OG 3.17Å |
| 199 | R | 82.6 | Confident | 78.3 | Confident | 111 Ų | 111 | 59.8 Ų | 59.8 | 42% | 0.419 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -64.5 | -48.6 | 179 | -73.3 | -169.6 | -82.8 | 165.2 | -11.8 | 112.6 | D193 L195 Q196 N201 E203 K204 | D193-R199 IonicContact OD1-CZ 3.66Å; D193-R199 IonicContact OD1-NH2 2.98Å; D193-R199 PolarHBondContact OD1-NH2 3.02Å; D193-R199 IonicContact OD2-CZ 3.41Å; D193-R199 IonicContact OD2-NH2 2.79Å; D193-R199 PolarHBondContact OD2-NH2 2.95Å; L195-R199 WeakPolarHBondContact O-CG 3.31Å; L195-R199 PolarHBondContact O-N 3.34Å; Q196-R199 PolarHBondContact O-N 3.36Å; Q196-R199 VanDerWaalsContact O-N 3.16Å; R199-N201 VanDerWaalsContact C-N 3.32Å; R199-N201 PolarHBondContact O-N 3.47Å; R199-E203 WeakPolarHBondContact CG-OE2 3.17Å; R199-K204 PolarHBondContact O-N 2.89Å |
| 200 | D | 81.6 | Confident | 79.8 | Confident | 95 Ų | 95 | 57.4 Ų | 57.4 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -71.4 | -25.8 | -173.9 | -70.5 | -19.8 | 0 | 0 | 0 | 113.5 | Q196 | Q196-D200 PolarHBondContact O-N 3.13Å |
| 201 | N | 83.9 | Confident | 81.2 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -113.1 | -69.8 | -176.6 | -57.6 | -72 | 0 | 0 | 0 | 112.4 | Y184 I197 R199 A205 | Y184-N201 HydrophobicContact CD1-CB 4.33Å; Y184-N201 HydrophobicContact CE1-CB 3.8Å; I197-N201 WeakPolarHBondContact O-CB 3.41Å; I197-N201 PolarHBondContact O-N 2.99Å; I197-N201 PolarHBondContact O-ND2 2.88Å; R199-N201 VanDerWaalsContact C-N 3.32Å; R199-N201 PolarHBondContact O-N 3.47Å; N201-A205 WeakPolarHBondContact O-CB 3.29Å; N201-A205 PolarHBondContact O-N 2.9Å |
| 202 | F | 86.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -71.1 | -49.9 | -170.2 | -174.2 | -89.2 | 0 | 0 | 0 | 112.2 | A159 M160 V177 V180 R181 Y184 Y198 A205 Y206 L249 | A159-F202 HydrophobicContact CB-CE2 4.45Å; M160-F202 HydrophobicContact CE-CD2 3.93Å; M160-F202 HydrophobicContact CE-CE2 3.75Å; M160-F202 HydrophobicContact CE-CG 4.41Å; M160-F202 HydrophobicContact CE-CZ 4.09Å; V177-F202 HydrophobicContact CG1-CZ 4.05Å; V180-F202 HydrophobicContact CB-CE2 4.41Å; V180-F202 HydrophobicContact CG1-CD2 4.01Å; V180-F202 HydrophobicContact CG1-CE2 3.84Å; R181-F202 HydrophobicContact CB-CE1 4.08Å; R181-F202 HydrophobicContact CB-CZ 4.12Å; R181-F202 HydrophobicContact CG-CE1 4.3Å; Y184-F202 HydrophobicContact CD1-CB 4.31Å; Y184-F202 HydrophobicContact CD2-CB 3.9Å; Y184-F202 AromaticContact CD2-CD2 3.81Å; Y184-F202 HydrophobicContact CD2-CD2 3.81Å; Y184-F202 HydrophobicContact CD2-CG 4.18Å; Y184-F202 HydrophobicContact CE2-CB 4.36Å; Y184-F202 HydrophobicContact CE2-CD2 4.06Å; Y184-F202 HydrophobicContact CG-CB 3.89Å; Y198-F202 HydrophobicContact CD2-CB 4.05Å; Y198-F202 HydrophobicContact CD2-CD1 4.03Å; Y198-F202 HydrophobicContact CD2-CG 4.37Å; Y198-F202 HydrophobicContact CE2-CB 4.41Å; Y198-F202 AromaticContact CE2-CD1 3.58Å; Y198-F202 HydrophobicContact CE2-CD1 3.58Å; Y198-F202 HydrophobicContact CE2-CE1 4.31Å; Y198-F202 HydrophobicContact CE2-CG 4.36Å; Y198-F202 PolarHBondContact O-N 3.35Å; F202-A205 PolarHBondContact O-N 3.39Å; F202-Y206 HydrophobicContact CE1-CD2 4.35Å; F202-Y206 VanDerWaalsContact O-CB 3.27Å; F202-Y206 WeakPolarHBondContact O-CB 3.23Å; F202-Y206 PolarHBondContact O-N 2.72Å; F202-L249 HydrophobicContact CE1-CD2 4.38Å |
| 203 | E | 87.6 | Confident | 84.3 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -60.4 | -50.7 | 177.3 | -178 | 177.9 | 158.4 | 0 | 0 | 110.1 | Y198 R199 A205 Y206 L207 S257 | Y198-E203 HydrophobicContact CE1-CB 4.18Å; Y198-E203 PolarHBondContact O-N 3.37Å; R199-E203 WeakPolarHBondContact CG-OE2 3.17Å; E203-A205 PolarHBondContact O-N 3.02Å; E203-Y206 WeakPolarHBondContact O-CB 3.33Å; E203-Y206 PolarHBondContact O-N 3.29Å; E203-Y206 VanDerWaalsContact O-N 3.1Å; E203-L207 HydrophobicContact CG-CD1 4.04Å; E203-L207 HydrophobicContact CG-CG 4.3Å; E203-L207 VanDerWaalsContact O-CG 3.28Å; E203-L207 WeakPolarHBondContact O-CG 3.38Å; E203-L207 PolarHBondContact O-N 3.18Å; E203-S257 WeakPolarHBondContact OE1-CA 3.37Å; E203-S257 WeakPolarHBondContact OE2-CB 3.2Å; E203-S257 PolarHBondContact OE2-OG 2.89Å |
| 204 | K | 88.6 | Confident | 85.4 | Confident | 120 Ų | 120 | 51.8 Ų | 51.8 | 52% | 0.522 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.3 | -48.8 | 177.4 | -173.7 | 175.2 | -179.2 | 176.7 | 0 | 112.8 | R199 Y206 L207 D208 | R199-K204 PolarHBondContact O-N 2.89Å; K204-Y206 VanDerWaalsContact C-N 3.29Å; K204-Y206 PolarHBondContact O-N 3.35Å; K204-L207 PolarHBondContact O-N 3.48Å; K204-D208 WeakPolarHBondContact O-CB 3.5Å; K204-D208 VanDerWaalsContact O-CG 3.23Å; K204-D208 PolarHBondContact O-N 2.84Å |
| 205 | A | 88.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -33 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q156 M160 N201 F202 E203 S209 | Q156-A205 HydrophobicContact CG-CB 4.03Å; M160-A205 HydrophobicContact CE-CB 4.17Å; N201-A205 WeakPolarHBondContact O-CB 3.29Å; N201-A205 PolarHBondContact O-N 2.9Å; F202-A205 PolarHBondContact O-N 3.39Å; E203-A205 PolarHBondContact O-N 3.02Å; A205-S209 WeakPolarHBondContact O-CB 3.45Å; A205-S209 PolarHBondContact O-N 2.9Å |
| 206 | Y | 90.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 173.3 | -165.2 | -76.7 | 0 | 0 | 0 | 110.8 | M160 V163 F202 E203 K204 T210 R244 Y248 L249 L261 | M160-Y206 HydrophobicContact CE-CD2 4.14Å; M160-Y206 HydrophobicContact SD-CD2 4.03Å; M160-Y206 HydrophobicContact SD-CG 4.4Å; V163-Y206 HydrophobicContact CG1-CE2 3.91Å; V163-Y206 HydrophobicContact CG2-CE2 3.9Å; F202-Y206 HydrophobicContact CE1-CD2 4.35Å; F202-Y206 VanDerWaalsContact O-CB 3.27Å; F202-Y206 WeakPolarHBondContact O-CB 3.23Å; F202-Y206 PolarHBondContact O-N 2.72Å; E203-Y206 WeakPolarHBondContact O-CB 3.33Å; E203-Y206 PolarHBondContact O-N 3.29Å; E203-Y206 VanDerWaalsContact O-N 3.1Å; K204-Y206 VanDerWaalsContact C-N 3.29Å; K204-Y206 PolarHBondContact O-N 3.35Å; Y206-T210 WeakPolarHBondContact O-CB 3.43Å; Y206-T210 PolarHBondContact O-N 3.08Å; Y206-T210 PolarHBondContact O-OG1 3.47Å; Y206-R244 WeakPolarHBondContact OH-CD 3.38Å; Y206-R244 VanDerWaalsContact OH-CG 3.31Å; Y206-R244 WeakPolarHBondContact OH-CG 3.2Å; Y206-Y248 HydrophobicContact CE2-CD2 4.41Å; Y206-L249 HydrophobicContact CD1-CD2 4.09Å; Y206-L249 HydrophobicContact CD2-CD2 4.25Å; Y206-L249 HydrophobicContact CG-CD2 3.97Å; Y206-L261 HydrophobicContact CD1-CD1 3.85Å; Y206-L261 HydrophobicContact CD1-CD2 4.19Å; Y206-L261 HydrophobicContact CE1-CD1 3.83Å; Y206-L261 HydrophobicContact CE1-CD2 3.59Å; Y206-L261 HydrophobicContact CE1-CG 4.38Å |
| 207 | L | 90.6 | Very high | 87.8 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -52 | 175.4 | -65.4 | 174.4 | 0 | 0 | 0 | 111 | E203 K204 S209 T210 E211 L261 C264 | E203-L207 HydrophobicContact CG-CD1 4.04Å; E203-L207 HydrophobicContact CG-CG 4.3Å; E203-L207 VanDerWaalsContact O-CG 3.28Å; E203-L207 WeakPolarHBondContact O-CG 3.38Å; E203-L207 PolarHBondContact O-N 3.18Å; K204-L207 PolarHBondContact O-N 3.48Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 3.17Å; L207-T210 WeakPolarHBondContact O-CA 3.22Å; L207-T210 WeakPolarHBondContact O-CB 3.42Å; L207-T210 PolarHBondContact O-N 2.92Å; L207-E211 PolarHBondContact O-N 3.36Å; L207-L261 HydrophobicContact CD2-CB 3.76Å; L207-L261 HydrophobicContact CD2-CD1 3.69Å; L207-L261 HydrophobicContact CD2-CG 4.34Å; L207-C264 HydrophobicContact CD2-CB 3.97Å |
| 208 | D | 90.4 | Very high | 88.4 | Confident | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | -179.3 | -70.2 | -14.6 | 0 | 0 | 0 | 111.9 | K204 T210 R212 | K204-D208 WeakPolarHBondContact O-CB 3.5Å; K204-D208 VanDerWaalsContact O-CG 3.23Å; K204-D208 PolarHBondContact O-N 2.84Å; D208-T210 VanDerWaalsContact C-N 3.33Å; D208-T210 PolarHBondContact O-N 3.33Å; D208-R212 VanDerWaalsContact O-CB 3.23Å; D208-R212 WeakPolarHBondContact O-CB 3.23Å; D208-R212 PolarHBondContact O-N 3.42Å |
| 209 | S | 90.4 | Very high | 88.7 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 175.5 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | A205 L207 F213 | A205-S209 WeakPolarHBondContact O-CB 3.45Å; A205-S209 PolarHBondContact O-N 2.9Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 3.17Å; S209-F213 WeakPolarHBondContact O-CB 3.36Å; S209-F213 PolarHBondContact O-N 2.9Å; S209-F213 VanDerWaalsContact O-N 3.09Å |
| 210 | T | 90.9 | Very high | 89 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68 | -47.9 | 178.7 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | R167 Y206 L207 D208 R212 F213 Y214 L261 C265 | R167-T210 PolarHBondContact NH1-OG1 3.22Å; R167-T210 VanDerWaalsContact NH2-CG2 3.34Å; R167-T210 PolarHBondContact NH2-OG1 3.42Å; Y206-T210 WeakPolarHBondContact O-CB 3.43Å; Y206-T210 PolarHBondContact O-N 3.08Å; Y206-T210 PolarHBondContact O-OG1 3.47Å; L207-T210 WeakPolarHBondContact O-CA 3.22Å; L207-T210 WeakPolarHBondContact O-CB 3.42Å; L207-T210 PolarHBondContact O-N 2.92Å; D208-T210 VanDerWaalsContact C-N 3.33Å; D208-T210 PolarHBondContact O-N 3.33Å; T210-R212 PolarHBondContact O-N 2.94Å; T210-F213 PolarHBondContact O-N 2.82Å; T210-Y214 HydrophobicContact CG2-CD2 3.75Å; T210-Y214 HydrophobicContact CG2-CE2 3.67Å; T210-Y214 VanDerWaalsContact O-CD2 3.3Å; T210-Y214 WeakPolarHBondContact O-CD2 3.49Å; T210-Y214 PolarHBondContact O-N 3.18Å; T210-Y214 VanDerWaalsContact O-N 3.11Å; T210-L261 HydrophobicContact CG2-CD1 3.92Å; T210-C265 VanDerWaalsContact CG2-SG 3.51Å |
| 211 | E | 91.5 | Very high | 89.5 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 177.7 | -170.2 | -178.6 | -177.7 | 0 | 0 | 110.8 | L207 F213 Y214 R215 A268 | L207-E211 PolarHBondContact O-N 3.36Å; E211-F213 VanDerWaalsContact C-N 3.32Å; E211-F213 PolarHBondContact O-N 3.16Å; E211-Y214 PolarHBondContact O-N 3.44Å; E211-R215 HydrophobicContact CG-CG 4.25Å; E211-R215 WeakPolarHBondContact O-CB 3.22Å; E211-R215 WeakPolarHBondContact O-CG 3.12Å; E211-R215 PolarHBondContact O-N 3.18Å; E211-R215 IonicContact OE1-CZ 2.8Å; E211-R215 IonicContact OE1-NE 2.7Å; E211-R215 PolarHBondContact OE1-NE 3.49Å; E211-R215 IonicContact OE1-NH2 3.13Å; E211-R215 PolarHBondContact OE1-NH2 3.26Å; E211-A268 HydrophobicContact CG-CB 4.23Å |
| 212 | R | 90.5 | Very high | 89.8 | Confident | 197 Ų | 197 | 51.8 Ų | 51.8 | 74% | 0.743 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.4 | -39.3 | -179.9 | -172 | 175.4 | -177.7 | 176.1 | 1 | 112.4 | D208 T210 T216 | D208-R212 VanDerWaalsContact O-CB 3.23Å; D208-R212 WeakPolarHBondContact O-CB 3.23Å; D208-R212 PolarHBondContact O-N 3.42Å; T210-R212 PolarHBondContact O-N 2.94Å; R212-T216 PolarHBondContact O-N 2.94Å; R212-T216 PolarHBondContact O-OG1 2.97Å |
| 213 | F | 91.3 | Very high | 89.9 | Confident | 17 Ų | 17 | 60 Ų | 60 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -54.2 | 176 | -178.8 | -100.5 | 0 | 0 | 0 | 111.1 | H164 R167 L168 S209 T210 E211 T216 Q217 | H164-F213 AromaticContact CE1-CD2 3.45Å; H164-F213 VanDerWaalsContact CE1-CD2 3.45Å; H164-F213 WeakPolarHBondContact CE1-CD2 3.47Å; H164-F213 AromaticContact CE1-CE2 3.77Å; H164-F213 AromaticContact ND1-CD2 3.46Å; H164-F213 WeakPolarHBondContact ND1-CD2 3.25Å; H164-F213 AromaticContact ND1-CE2 3.98Å; R167-F213 HydrophobicContact CB-CE1 3.9Å; R167-F213 HydrophobicContact CB-CE2 4.11Å; R167-F213 HydrophobicContact CB-CZ 3.65Å; R167-F213 HydrophobicContact CG-CE1 4.36Å; L168-F213 HydrophobicContact CD2-CE2 4.18Å; L168-F213 HydrophobicContact CD2-CZ 4.4Å; S209-F213 WeakPolarHBondContact O-CB 3.36Å; S209-F213 PolarHBondContact O-N 2.9Å; S209-F213 VanDerWaalsContact O-N 3.09Å; T210-F213 PolarHBondContact O-N 2.82Å; E211-F213 VanDerWaalsContact C-N 3.32Å; E211-F213 PolarHBondContact O-N 3.16Å; F213-T216 PolarHBondContact O-N 2.8Å; F213-Q217 PolarHBondContact O-N 3.11Å; F213-Q217 VanDerWaalsContact O-N 3.07Å |
| 214 | Y | 91.2 | Very high | 90 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.1 | -35.2 | -176.5 | -71.5 | -59 | 0 | 0 | 0 | 113.2 | T210 E211 T216 Q217 A218 K237 E241 L269 | T210-Y214 HydrophobicContact CG2-CD2 3.75Å; T210-Y214 HydrophobicContact CG2-CE2 3.67Å; T210-Y214 VanDerWaalsContact O-CD2 3.3Å; T210-Y214 WeakPolarHBondContact O-CD2 3.49Å; T210-Y214 PolarHBondContact O-N 3.18Å; T210-Y214 VanDerWaalsContact O-N 3.11Å; E211-Y214 PolarHBondContact O-N 3.44Å; Y214-T216 PolarHBondContact O-N 2.96Å; Y214-Q217 PolarHBondContact O-N 3.1Å; Y214-A218 WeakPolarHBondContact O-CB 3.32Å; Y214-A218 PolarHBondContact O-N 3.49Å; Y214-K237 HydrophobicContact CE1-CB 3.99Å; Y214-K237 HydrophobicContact CE1-CD 4.17Å; Y214-K237 HydrophobicContact CE1-CG 4.08Å; Y214-E241 HydrophobicContact CE2-CG 3.66Å; Y214-E241 VanDerWaalsContact OH-CG 3.29Å; Y214-E241 WeakPolarHBondContact OH-CG 3.46Å; Y214-E241 PolarHBondContact OH-OE1 3.29Å; Y214-L269 HydrophobicContact CD1-CD1 4.04Å; Y214-L269 HydrophobicContact CD1-CD2 3.58Å; Y214-L269 HydrophobicContact CD1-CG 4.08Å; Y214-L269 HydrophobicContact CD2-CD1 4.31Å; Y214-L269 HydrophobicContact CD2-CG 4.5Å; Y214-L269 HydrophobicContact CE1-CD1 4.2Å; Y214-L269 HydrophobicContact CE1-CD2 4.35Å; Y214-L269 HydrophobicContact CE2-CD1 4.49Å; Y214-L269 HydrophobicContact CG-CD1 4.09Å; Y214-L269 HydrophobicContact CG-CD2 3.85Å; Y214-L269 HydrophobicContact CG-CG 3.95Å |
| 215 | R | 89.1 | Confident | 90 | Very high | 152 Ų | 152 | 63.1 Ų | 63.1 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.4 | -29.3 | 172.5 | -84.8 | -168.3 | -174.4 | -158.2 | 5 | 113.1 | E211 P219 | E211-R215 HydrophobicContact CG-CG 4.25Å; E211-R215 WeakPolarHBondContact O-CB 3.22Å; E211-R215 WeakPolarHBondContact O-CG 3.12Å; E211-R215 PolarHBondContact O-N 3.18Å; E211-R215 IonicContact OE1-CZ 2.8Å; E211-R215 IonicContact OE1-NE 2.7Å; E211-R215 PolarHBondContact OE1-NE 3.49Å; E211-R215 IonicContact OE1-NH2 3.13Å; E211-R215 PolarHBondContact OE1-NH2 3.26Å; R215-P219 WeakPolarHBondContact O-CD 3.4Å; R215-P219 VanDerWaalsContact O-CG 3.28Å; R215-P219 WeakPolarHBondContact O-CG 3.36Å |
| 216 | T | 88.8 | Confident | 90.1 | Very high | 104 Ų | 104 | 64 Ų | 64 | 64% | 0.638 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -84 | -43.9 | 179.3 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | R212 F213 Y214 | R212-T216 PolarHBondContact O-N 2.94Å; R212-T216 PolarHBondContact O-OG1 2.97Å; F213-T216 PolarHBondContact O-N 2.8Å; Y214-T216 PolarHBondContact O-N 2.96Å |
| 217 | Q | 88.6 | Confident | 90.1 | Very high | 66 Ų | 66 | 64.9 Ų | 64.9 | 31% | 0.308 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -82.4 | -36.1 | -173.5 | -165 | 176.8 | 20.7 | 0 | 0 | 113.5 | F213 Y214 S220 Y221 Y233 | F213-Q217 PolarHBondContact O-N 3.11Å; F213-Q217 VanDerWaalsContact O-N 3.07Å; Y214-Q217 PolarHBondContact O-N 3.1Å; Q217-S220 PolarHBondContact O-N 3.31Å; Q217-Y221 PolarHBondContact O-N 3.22Å; Q217-Y233 PolarHBondContact NE2-OH 3.26Å; Q217-Y233 PolarHBondContact OE1-OH 3.13Å |
| 218 | A | 89.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y214 S220 Y221 L222 Y230 L269 F273 | Y214-A218 WeakPolarHBondContact O-CB 3.32Å; Y214-A218 PolarHBondContact O-N 3.49Å; A218-S220 VanDerWaalsContact C-N 3.33Å; A218-S220 PolarHBondContact O-N 3.04Å; A218-Y221 PolarHBondContact O-N 2.98Å; A218-L222 WeakPolarHBondContact O-CB 3.46Å; A218-L222 PolarHBondContact O-N 2.7Å; A218-Y230 HydrophobicContact CB-CE2 3.91Å; A218-Y230 WeakPolarHBondContact CB-OH 3.39Å; A218-L269 HydrophobicContact CB-CD2 3.99Å; A218-F273 HydrophobicContact CB-CE2 3.68Å; A218-F273 HydrophobicContact CB-CZ 3.99Å |
| 219 | P | 90.1 | Very high | 89.8 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 31% | 0.305 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 177.2 | -16.2 | 25.4 | 0 | 0 | 0 | 112.5 | R215 L222 Q223 F273 | R215-P219 WeakPolarHBondContact O-CD 3.4Å; R215-P219 VanDerWaalsContact O-CG 3.28Å; R215-P219 WeakPolarHBondContact O-CG 3.36Å; P219-L222 PolarHBondContact O-N 2.79Å; P219-Q223 WeakPolarHBondContact O-CG 3.42Å; P219-Q223 PolarHBondContact O-N 2.89Å; P219-F273 HydrophobicContact CB-CE1 4.45Å; P219-F273 HydrophobicContact CB-CZ 4.3Å; P219-F273 HydrophobicContact CG-CE1 4.44Å; P219-F273 HydrophobicContact CG-CZ 3.87Å |
| 220 | S | 89.8 | Confident | 89.9 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 40% | 0.399 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 179.9 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | Q217 A218 Q223 Q224 | Q217-S220 PolarHBondContact O-N 3.31Å; A218-S220 VanDerWaalsContact C-N 3.33Å; A218-S220 PolarHBondContact O-N 3.04Å; S220-Q223 PolarHBondContact O-N 2.94Å; S220-Q224 WeakPolarHBondContact O-CG 3.47Å; S220-Q224 PolarHBondContact O-N 3.38Å |
| 221 | Y | 90.3 | Very high | 89.9 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 28% | 0.275 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 177.5 | -163.9 | -83.2 | 0 | 0 | 0 | 112.3 | Q217 A218 Q223 Q224 N225 Y230 Y233 | Q217-Y221 PolarHBondContact O-N 3.22Å; A218-Y221 PolarHBondContact O-N 2.98Å; Y221-Q223 PolarHBondContact O-N 2.97Å; Y221-Q224 PolarHBondContact O-N 3.17Å; Y221-N225 HydrophobicContact CD1-CB 4.21Å; Y221-N225 WeakPolarHBondContact CD2-ND2 3.19Å; Y221-N225 HydrophobicContact CE1-CB 3.93Å; Y221-N225 VanDerWaalsContact CE1-ND2 3.31Å; Y221-N225 WeakPolarHBondContact CE1-ND2 3.22Å; Y221-N225 WeakPolarHBondContact CE2-ND2 3.44Å; Y221-N225 WeakPolarHBondContact O-CB 3.37Å; Y221-N225 PolarHBondContact O-N 3.31Å; Y221-Y230 HydrophobicContact CD1-CD2 4.14Å; Y221-Y233 HydrophobicContact CD1-CD1 4.12Å; Y221-Y233 HydrophobicContact CD1-CD2 4.36Å; Y221-Y233 AromaticContact CD1-CG 3.9Å; Y221-Y233 HydrophobicContact CD1-CG 3.9Å; Y221-Y233 HydrophobicContact CD2-CD2 4.08Å; Y221-Y233 HydrophobicContact CD2-CE2 4.12Å; Y221-Y233 HydrophobicContact CD2-CG 4.38Å; Y221-Y233 VanDerWaalsContact CE1-CB 3.5Å; Y221-Y233 HydrophobicContact CE1-CD1 4.39Å; Y221-Y233 HydrophobicContact CE1-CD2 4.03Å; Y221-Y233 AromaticContact CE1-CG 3.72Å; Y221-Y233 HydrophobicContact CE1-CG 3.72Å; Y221-Y233 AromaticContact CE2-CD2 3.72Å; Y221-Y233 HydrophobicContact CE2-CD2 3.72Å; Y221-Y233 HydrophobicContact CE2-CE2 4.05Å; Y221-Y233 HydrophobicContact CE2-CG 4.22Å; Y221-Y233 HydrophobicContact CG-CD1 4.27Å; Y221-Y233 HydrophobicContact CG-CD2 4.38Å; Y221-Y233 HydrophobicContact CG-CE1 4.49Å; Y221-Y233 HydrophobicContact CG-CG 4.23Å; Y221-Y233 AromaticContact CZ-CD2 3.67Å; Y221-Y233 AromaticContact CZ-CG 3.88Å |
| 222 | L | 90.6 | Very high | 89.9 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 178.3 | -180 | 64.8 | 0 | 0 | 0 | 111.7 | A218 P219 Q224 G226 V227 Y230 F273 | A218-L222 WeakPolarHBondContact O-CB 3.46Å; A218-L222 PolarHBondContact O-N 2.7Å; P219-L222 PolarHBondContact O-N 2.79Å; L222-Q224 PolarHBondContact O-N 3.4Å; L222-G226 WeakPolarHBondContact O-CA 3.41Å; L222-G226 PolarHBondContact O-N 3.26Å; L222-G226 VanDerWaalsContact O-N 3.08Å; L222-V227 HydrophobicContact CD1-CG2 4.15Å; L222-Y230 HydrophobicContact CB-CD2 3.84Å; L222-Y230 HydrophobicContact CB-CE2 4.29Å; L222-Y230 HydrophobicContact CB-CG 4.19Å; L222-Y230 HydrophobicContact CD1-CD1 4Å; L222-Y230 HydrophobicContact CD1-CD2 4.21Å; L222-Y230 HydrophobicContact CD1-CG 3.66Å; L222-Y230 HydrophobicContact CG-CG 4.48Å; L222-F273 HydrophobicContact CD2-CD1 3.41Å; L222-F273 VanDerWaalsContact CD2-CD1 3.41Å; L222-F273 HydrophobicContact CD2-CE1 3.83Å; L222-F273 HydrophobicContact CD2-CG 4.16Å |
| 223 | Q | 89.4 | Confident | 90 | Very high | 172 Ų | 172 | 59.6 Ų | 59.6 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.9 | -36.1 | 179.8 | -74.9 | -178.2 | -0.5 | 0 | 0 | 113.1 | P219 S220 Y221 | P219-Q223 WeakPolarHBondContact O-CG 3.42Å; P219-Q223 PolarHBondContact O-N 2.89Å; S220-Q223 PolarHBondContact O-N 2.94Å; Y221-Q223 PolarHBondContact O-N 2.97Å |
| 224 | Q | 90 | Very high | 90 | Very high | 144 Ų | 144 | 58.8 Ų | 58.8 | 67% | 0.673 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -81.6 | -38.5 | -176.7 | -68.6 | 176.1 | 9.2 | 0 | 0 | 113.1 | S220 Y221 L222 | S220-Q224 WeakPolarHBondContact O-CG 3.47Å; S220-Q224 PolarHBondContact O-N 3.38Å; Y221-Q224 PolarHBondContact O-N 3.17Å; L222-Q224 PolarHBondContact O-N 3.4Å |
| 225 | N | 87.9 | Confident | 90 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -112.4 | -7.8 | -165.5 | -60.1 | -30.3 | 0 | 0 | 0 | 113.9 | Y221 N229 | Y221-N225 HydrophobicContact CD1-CB 4.21Å; Y221-N225 WeakPolarHBondContact CD2-ND2 3.19Å; Y221-N225 HydrophobicContact CE1-CB 3.93Å; Y221-N225 VanDerWaalsContact CE1-ND2 3.31Å; Y221-N225 WeakPolarHBondContact CE1-ND2 3.22Å; Y221-N225 WeakPolarHBondContact CE2-ND2 3.44Å; Y221-N225 WeakPolarHBondContact O-CB 3.37Å; Y221-N225 PolarHBondContact O-N 3.31Å; N225-N229 HydrophobicContact CB-CB 3.97Å; N225-N229 PolarHBondContact O-ND2 3.27Å |
| 226 | G | 90.3 | Very high | 90.1 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | 76.6 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L222 Q228 Y230 | L222-G226 WeakPolarHBondContact O-CA 3.41Å; L222-G226 PolarHBondContact O-N 3.26Å; L222-G226 VanDerWaalsContact O-N 3.08Å; G226-Q228 PolarHBondContact O-N 3.35Å; G226-Y230 WeakPolarHBondContact O-CB 3.39Å; G226-Y230 PolarHBondContact O-N 2.96Å |
| 227 | V | 89.8 | Confident | 90.3 | Very high | 21 Ų | 21 | 50.9 Ų | 50.9 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | -171.5 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | L222 Y230 M231 T276 I277 E280 | L222-V227 HydrophobicContact CD1-CG2 4.15Å; V227-Y230 WeakPolarHBondContact O-CB 3.48Å; V227-Y230 PolarHBondContact O-N 3.02Å; V227-M231 WeakPolarHBondContact O-CG 3.4Å; V227-M231 PolarHBondContact O-N 3.44Å; V227-T276 HydrophobicContact CG2-CG2 3.89Å; V227-I277 HydrophobicContact CG1-CB 4.39Å; V227-I277 HydrophobicContact CG1-CG1 4.12Å; V227-E280 HydrophobicContact CB-CG 4.02Å; V227-E280 HydrophobicContact CG1-CG 4Å; V227-E280 HydrophobicContact CG2-CG 4.11Å |
| 228 | Q | 86.6 | Confident | 90.4 | Very high | 54 Ų | 54 | 47.9 Ų | 47.9 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | -173.9 | -53.7 | -168.1 | 3 | 0 | 0 | 112.7 | G226 Y230 M231 K232 M284 K292 | G226-Q228 PolarHBondContact O-N 3.35Å; Q228-Y230 VanDerWaalsContact C-N 3.33Å; Q228-M231 PolarHBondContact O-N 2.56Å; Q228-K232 PolarHBondContact O-N 2.86Å; Q228-M284 HydrophobicContact CG-CE 3.71Å; Q228-K292 VanDerWaalsContact OE1-CE 3.31Å |
| 229 | N | 89.4 | Confident | 90.5 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 43% | 0.428 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -72 | -33.8 | 175.6 | -67.6 | -39.5 | 0 | 0 | 0 | 110.9 | N225 M231 K232 Y233 | N225-N229 HydrophobicContact CB-CB 3.97Å; N225-N229 PolarHBondContact O-ND2 3.27Å; N229-M231 VanDerWaalsContact C-N 3.34Å; N229-M231 PolarHBondContact O-N 3.47Å; N229-K232 PolarHBondContact O-N 2.59Å; N229-Y233 WeakPolarHBondContact O-CB 3.34Å; N229-Y233 PolarHBondContact O-N 3.31Å |
| 230 | Y | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 173 | -179 | -97.6 | 0 | 0 | 0 | 112.5 | A218 Y221 L222 G226 V227 Q228 K232 Y233 A234 L269 F273 I277 | A218-Y230 HydrophobicContact CB-CE2 3.91Å; A218-Y230 WeakPolarHBondContact CB-OH 3.39Å; Y221-Y230 HydrophobicContact CD1-CD2 4.14Å; L222-Y230 HydrophobicContact CB-CD2 3.84Å; L222-Y230 HydrophobicContact CB-CE2 4.29Å; L222-Y230 HydrophobicContact CB-CG 4.19Å; L222-Y230 HydrophobicContact CD1-CD1 4Å; L222-Y230 HydrophobicContact CD1-CD2 4.21Å; L222-Y230 HydrophobicContact CD1-CG 3.66Å; L222-Y230 HydrophobicContact CG-CG 4.48Å; G226-Y230 WeakPolarHBondContact O-CB 3.39Å; G226-Y230 PolarHBondContact O-N 2.96Å; V227-Y230 WeakPolarHBondContact O-CB 3.48Å; V227-Y230 PolarHBondContact O-N 3.02Å; Q228-Y230 VanDerWaalsContact C-N 3.33Å; Y230-K232 PolarHBondContact O-N 3.08Å; Y230-Y233 HydrophobicContact CD2-CD1 4.43Å; Y230-Y233 HydrophobicContact CE2-CD1 4.39Å; Y230-Y233 CarbonylContact O-C 3.58Å; Y230-Y233 WeakPolarHBondContact O-CB 3.3Å; Y230-Y233 PolarHBondContact O-N 3.46Å; Y230-A234 HydrophobicContact CE1-CB 4.39Å; Y230-A234 WeakPolarHBondContact O-CB 3.37Å; Y230-A234 PolarHBondContact O-N 3.36Å; Y230-L269 WeakPolarHBondContact CE1-O 3.34Å; Y230-L269 PolarHBondContact OH-O 3.3Å; Y230-F273 HydrophobicContact CE1-CB 4.27Å; Y230-F273 HydrophobicContact CE1-CD2 4.16Å; Y230-F273 HydrophobicContact CE1-CG 4.33Å; Y230-F273 AromaticContact CZ-CD2 3.84Å; Y230-F273 WeakPolarHBondContact OH-CD2 3.49Å; Y230-F273 WeakPolarHBondContact OH-CE2 3.48Å; Y230-I277 HydrophobicContact CD1-CD1 4.47Å; Y230-I277 HydrophobicContact CE1-CD1 4.33Å |
| 231 | M | 90.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 175.2 | -70.8 | -170.4 | -67.9 | 0 | 0 | 112.2 | V227 Q228 N229 Y233 A234 D235 I277 M284 L295 M296 L299 | V227-M231 WeakPolarHBondContact O-CG 3.4Å; V227-M231 PolarHBondContact O-N 3.44Å; Q228-M231 PolarHBondContact O-N 2.56Å; N229-M231 VanDerWaalsContact C-N 3.34Å; N229-M231 PolarHBondContact O-N 3.47Å; M231-Y233 VanDerWaalsContact C-N 3.31Å; M231-Y233 PolarHBondContact O-N 3.44Å; M231-A234 PolarHBondContact O-N 3.36Å; M231-D235 PolarHBondContact O-N 3.47Å; M231-I277 HydrophobicContact CG-CG2 4.14Å; M231-I277 HydrophobicContact SD-CG2 3.69Å; M231-M284 HydrophobicContact CE-CE 3.49Å; M231-M284 VanDerWaalsContact CE-CE 3.49Å; M231-M284 HydrophobicContact CE-SD 4.16Å; M231-L295 HydrophobicContact CB-CD2 3.75Å; M231-L295 HydrophobicContact CB-CG 4.16Å; M231-M296 HydrophobicContact SD-CB 3.72Å; M231-M296 HydrophobicContact SD-CG 3.94Å; M231-M296 HydrophobicContact SD-SD 4.48Å; M231-L299 HydrophobicContact CB-CD1 3.73Å; M231-L299 HydrophobicContact CG-CD1 3.94Å |
| 232 | K | 91.9 | Very high | 90.6 | Very high | 126 Ų | 126 | 54.3 Ų | 54.3 | 55% | 0.548 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.5 | -69.3 | -178.5 | 178 | -177.7 | 0 | 111.2 | Q228 N229 Y230 A236 L295 | Q228-K232 PolarHBondContact O-N 2.86Å; N229-K232 PolarHBondContact O-N 2.59Å; Y230-K232 PolarHBondContact O-N 3.08Å; K232-A236 WeakPolarHBondContact O-CB 3.34Å; K232-A236 PolarHBondContact O-N 3.07Å; K232-L295 HydrophobicContact CB-CD2 4.3Å; K232-L295 HydrophobicContact CG-CD2 3.51Å |
| 233 | Y | 91.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 175.2 | 176.4 | -96.8 | 0 | 0 | 0 | 111.7 | Q217 Y221 N229 Y230 M231 A236 K237 | Q217-Y233 PolarHBondContact NE2-OH 3.26Å; Q217-Y233 PolarHBondContact OE1-OH 3.13Å; Y221-Y233 HydrophobicContact CD1-CD1 4.12Å; Y221-Y233 HydrophobicContact CD1-CD2 4.36Å; Y221-Y233 AromaticContact CD1-CG 3.9Å; Y221-Y233 HydrophobicContact CD1-CG 3.9Å; Y221-Y233 HydrophobicContact CD2-CD2 4.08Å; Y221-Y233 HydrophobicContact CD2-CE2 4.12Å; Y221-Y233 HydrophobicContact CD2-CG 4.38Å; Y221-Y233 VanDerWaalsContact CE1-CB 3.5Å; Y221-Y233 HydrophobicContact CE1-CD1 4.39Å; Y221-Y233 HydrophobicContact CE1-CD2 4.03Å; Y221-Y233 AromaticContact CE1-CG 3.72Å; Y221-Y233 HydrophobicContact CE1-CG 3.72Å; Y221-Y233 AromaticContact CE2-CD2 3.72Å; Y221-Y233 HydrophobicContact CE2-CD2 3.72Å; Y221-Y233 HydrophobicContact CE2-CE2 4.05Å; Y221-Y233 HydrophobicContact CE2-CG 4.22Å; Y221-Y233 HydrophobicContact CG-CD1 4.27Å; Y221-Y233 HydrophobicContact CG-CD2 4.38Å; Y221-Y233 HydrophobicContact CG-CE1 4.49Å; Y221-Y233 HydrophobicContact CG-CG 4.23Å; Y221-Y233 AromaticContact CZ-CD2 3.67Å; Y221-Y233 AromaticContact CZ-CG 3.88Å; N229-Y233 WeakPolarHBondContact O-CB 3.34Å; N229-Y233 PolarHBondContact O-N 3.31Å; Y230-Y233 HydrophobicContact CD2-CD1 4.43Å; Y230-Y233 HydrophobicContact CE2-CD1 4.39Å; Y230-Y233 CarbonylContact O-C 3.58Å; Y230-Y233 WeakPolarHBondContact O-CB 3.3Å; Y230-Y233 PolarHBondContact O-N 3.46Å; M231-Y233 VanDerWaalsContact C-N 3.31Å; M231-Y233 PolarHBondContact O-N 3.44Å; Y233-A236 PolarHBondContact O-N 2.9Å; Y233-K237 HydrophobicContact CD1-CG 4.27Å; Y233-K237 HydrophobicContact CD2-CG 4.22Å; Y233-K237 HydrophobicContact CE1-CG 3.85Å; Y233-K237 HydrophobicContact CE2-CD 4.21Å; Y233-K237 VanDerWaalsContact CE2-CE 3.46Å; Y233-K237 HydrophobicContact CE2-CG 3.82Å; Y233-K237 HydrophobicContact CG-CG 4.42Å; Y233-K237 WeakPolarHBondContact O-CB 3.34Å; Y233-K237 VanDerWaalsContact O-CG 3.29Å; Y233-K237 WeakPolarHBondContact O-CG 3.41Å; Y233-K237 PolarHBondContact O-N 3.23Å |
| 234 | A | 91.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y230 M231 K237 L238 L299 | Y230-A234 HydrophobicContact CE1-CB 4.39Å; Y230-A234 WeakPolarHBondContact O-CB 3.37Å; Y230-A234 PolarHBondContact O-N 3.36Å; M231-A234 PolarHBondContact O-N 3.36Å; A234-K237 PolarHBondContact O-N 3.4Å; A234-L238 WeakPolarHBondContact O-CB 3.41Å; A234-L238 VanDerWaalsContact O-CG 3.22Å; A234-L238 WeakPolarHBondContact O-CG 3.41Å; A234-L238 PolarHBondContact O-N 2.99Å; A234-L299 HydrophobicContact CB-CD2 4.4Å |
| 235 | D | 91.4 | Very high | 90.6 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 176.6 | -177.6 | 63.2 | 0 | 0 | 0 | 112 | M231 K237 L238 R239 L295 L299 | M231-D235 PolarHBondContact O-N 3.47Å; D235-K237 PolarHBondContact O-N 3.09Å; D235-L238 PolarHBondContact O-N 3.41Å; D235-R239 WeakPolarHBondContact O-CG 3.44Å; D235-R239 PolarHBondContact O-N 2.92Å; D235-R239 IonicContact OD1-NE 3.45Å; D235-R239 IonicContact OD1-NH2 3.33Å; D235-R239 IonicContact OD2-CZ 3.55Å; D235-R239 IonicContact OD2-NE 3.59Å; D235-R239 PolarHBondContact OD2-NE 3.44Å; D235-R239 IonicContact OD2-NH2 3.57Å; D235-R239 PolarHBondContact OD2-NH2 3.23Å; D235-L295 HydrophobicContact CB-CD1 3.63Å; D235-L299 HydrophobicContact CB-CD2 4.09Å |
| 236 | A | 92.1 | Very high | 90.6 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 34% | 0.339 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K232 Y233 R239 E240 | K232-A236 WeakPolarHBondContact O-CB 3.34Å; K232-A236 PolarHBondContact O-N 3.07Å; Y233-A236 PolarHBondContact O-N 2.9Å; A236-R239 PolarHBondContact O-N 3.03Å; A236-E240 WeakPolarHBondContact O-CG 3.45Å; A236-E240 PolarHBondContact O-N 2.88Å |
| 237 | K | 91.4 | Very high | 90.4 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 14% | 0.135 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68 | -36.1 | 179 | -68.8 | -62.8 | 168 | -163.2 | 0 | 113.1 | Y214 Y233 A234 D235 E240 E241 L269 | Y214-K237 HydrophobicContact CE1-CB 3.99Å; Y214-K237 HydrophobicContact CE1-CD 4.17Å; Y214-K237 HydrophobicContact CE1-CG 4.08Å; Y233-K237 HydrophobicContact CD1-CG 4.27Å; Y233-K237 HydrophobicContact CD2-CG 4.22Å; Y233-K237 HydrophobicContact CE1-CG 3.85Å; Y233-K237 HydrophobicContact CE2-CD 4.21Å; Y233-K237 VanDerWaalsContact CE2-CE 3.46Å; Y233-K237 HydrophobicContact CE2-CG 3.82Å; Y233-K237 HydrophobicContact CG-CG 4.42Å; Y233-K237 WeakPolarHBondContact O-CB 3.34Å; Y233-K237 VanDerWaalsContact O-CG 3.29Å; Y233-K237 WeakPolarHBondContact O-CG 3.41Å; Y233-K237 PolarHBondContact O-N 3.23Å; A234-K237 PolarHBondContact O-N 3.4Å; D235-K237 PolarHBondContact O-N 3.09Å; K237-E240 WeakPolarHBondContact CD-OE2 3.48Å; K237-E240 IonicContact NZ-OE1 2.74Å; K237-E240 IonicContact NZ-OE2 3.72Å; K237-E240 PolarHBondContact NZ-OE2 3.12Å; K237-E240 PolarHBondContact O-N 3.38Å; K237-E241 WeakPolarHBondContact O-CG 3.4Å; K237-E241 PolarHBondContact O-N 2.86Å; K237-L269 HydrophobicContact CB-CD1 4.13Å |
| 238 | L | 91.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 172.2 | -73 | 170.6 | 0 | 0 | 0 | 111.4 | A234 D235 E241 E242 M262 C265 V266 L269 V270 L299 K302 | A234-L238 WeakPolarHBondContact O-CB 3.41Å; A234-L238 VanDerWaalsContact O-CG 3.22Å; A234-L238 WeakPolarHBondContact O-CG 3.41Å; A234-L238 PolarHBondContact O-N 2.99Å; D235-L238 PolarHBondContact O-N 3.41Å; L238-E241 PolarHBondContact O-N 2.87Å; L238-E242 WeakPolarHBondContact O-CB 3.19Å; L238-E242 PolarHBondContact O-N 3.4Å; L238-M262 HydrophobicContact CB-CE 4.15Å; L238-M262 HydrophobicContact CD2-CE 4.08Å; L238-M262 WeakPolarHBondContact O-CE 3.46Å; L238-C265 HydrophobicContact CD2-CB 3.61Å; L238-V266 HydrophobicContact CD1-CG2 4.29Å; L238-V266 HydrophobicContact CD2-CG2 3.9Å; L238-L269 HydrophobicContact CD2-CD1 4.23Å; L238-L269 HydrophobicContact CG-CD1 4.3Å; L238-V270 HydrophobicContact CD1-CG2 4.04Å; L238-L299 HydrophobicContact CD1-CD2 3.83Å; L238-K302 HydrophobicContact CD1-CD 4.39Å |
| 239 | R | 91.2 | Very high | 90.2 | Very high | 143 Ų | 143 | 49.3 Ų | 49.3 | 54% | 0.54 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66 | -37 | 176.5 | -66.6 | 179.5 | -160.3 | -142.2 | 6.6 | 112.8 | D235 A236 K243 | D235-R239 WeakPolarHBondContact O-CG 3.44Å; D235-R239 PolarHBondContact O-N 2.92Å; D235-R239 IonicContact OD1-NE 3.45Å; D235-R239 IonicContact OD1-NH2 3.33Å; D235-R239 IonicContact OD2-CZ 3.55Å; D235-R239 IonicContact OD2-NE 3.59Å; D235-R239 PolarHBondContact OD2-NE 3.44Å; D235-R239 IonicContact OD2-NH2 3.57Å; D235-R239 PolarHBondContact OD2-NH2 3.23Å; A236-R239 PolarHBondContact O-N 3.03Å; R239-K243 WeakPolarHBondContact O-CG 3.36Å; R239-K243 PolarHBondContact O-N 3.22Å |
| 240 | E | 91 | Very high | 89.8 | Confident | 80 Ų | 80 | 46.1 Ų | 46.1 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 174.4 | -76.4 | 175.5 | -162.5 | 0 | 0 | 111.4 | A236 K237 K243 R244 | A236-E240 WeakPolarHBondContact O-CG 3.45Å; A236-E240 PolarHBondContact O-N 2.88Å; K237-E240 WeakPolarHBondContact CD-OE2 3.48Å; K237-E240 IonicContact NZ-OE1 2.74Å; K237-E240 IonicContact NZ-OE2 3.72Å; K237-E240 PolarHBondContact NZ-OE2 3.12Å; K237-E240 PolarHBondContact O-N 3.38Å; E240-K243 PolarHBondContact O-N 3.01Å; E240-R244 WeakPolarHBondContact O-CB 3.27Å; E240-R244 PolarHBondContact O-N 2.87Å |
| 241 | E | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 176.4 | -72.8 | -58.5 | 149.2 | 0 | 0 | 112.2 | R167 Y214 K237 L238 K243 R244 A245 | R167-E241 IonicContact CZ-OE1 2.62Å; R167-E241 IonicContact CZ-OE2 3.78Å; R167-E241 IonicContact NE-OE1 2.8Å; R167-E241 PolarHBondContact NE-OE1 3.33Å; R167-E241 IonicContact NE-OE2 3.73Å; R167-E241 IonicContact NH2-OE1 3.12Å; R167-E241 PolarHBondContact NH2-OE1 2.95Å; R167-E241 IonicContact NH2-OE2 3.55Å; R167-E241 PolarHBondContact NH2-OE2 3.04Å; Y214-E241 HydrophobicContact CE2-CG 3.66Å; Y214-E241 VanDerWaalsContact OH-CG 3.29Å; Y214-E241 WeakPolarHBondContact OH-CG 3.46Å; Y214-E241 PolarHBondContact OH-OE1 3.29Å; K237-E241 WeakPolarHBondContact O-CG 3.4Å; K237-E241 PolarHBondContact O-N 2.86Å; L238-E241 PolarHBondContact O-N 2.87Å; E241-K243 PolarHBondContact O-N 3.42Å; E241-R244 VanDerWaalsContact CD-NH1 3.25Å; E241-R244 CarbonylContact O-C 3.48Å; E241-R244 PolarHBondContact O-N 3.49Å; E241-R244 IonicContact OE1-CZ 3.66Å; E241-R244 IonicContact OE1-NH1 3.45Å; E241-R244 PolarHBondContact OE1-NH1 3.42Å; E241-R244 IonicContact OE2-NH1 2.91Å; E241-A245 VanDerWaalsContact O-CB 3.23Å; E241-A245 WeakPolarHBondContact O-CB 3.3Å; E241-A245 PolarHBondContact O-N 3.1Å |
| 242 | E | 90.8 | Very high | 88.6 | Confident | 87 Ų | 87 | 55.1 Ų | 55.1 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 175.4 | -174 | 175.7 | -158.2 | 0 | 0 | 111.4 | L238 R244 A245 L246 M262 | L238-E242 WeakPolarHBondContact O-CB 3.19Å; L238-E242 PolarHBondContact O-N 3.4Å; E242-R244 VanDerWaalsContact C-N 3.29Å; E242-R244 PolarHBondContact O-N 3.22Å; E242-A245 WeakPolarHBondContact O-CB 3.46Å; E242-A245 PolarHBondContact O-N 3.12Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 3.14Å; E242-M262 HydrophobicContact CB-CE 4.05Å; E242-M262 HydrophobicContact CB-SD 3.73Å; E242-M262 HydrophobicContact CG-SD 4.32Å |
| 243 | K | 90.6 | Very high | 87.2 | Confident | 156 Ų | 156 | 61.3 Ų | 61.3 | 68% | 0.678 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | 174.9 | -72.3 | 175.4 | -178.2 | 178.1 | 0 | 111.9 | R239 E240 E241 R247 | R239-K243 WeakPolarHBondContact O-CG 3.36Å; R239-K243 PolarHBondContact O-N 3.22Å; E240-K243 PolarHBondContact O-N 3.01Å; E241-K243 PolarHBondContact O-N 3.42Å; K243-R247 PolarHBondContact O-N 3.31Å |
| 244 | R | 89.9 | Confident | 85.8 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 9% | 0.087 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.9 | -40 | 178 | -169 | -177.6 | -76.8 | 104.4 | 4.6 | 111.6 | E166 Y206 E240 E241 E242 R247 Y248 | E166-R244 IonicContact OE2-CZ 3.21Å; E166-R244 IonicContact OE2-NE 3.51Å; E166-R244 PolarHBondContact OE2-NE 3.44Å; E166-R244 IonicContact OE2-NH2 3.55Å; Y206-R244 WeakPolarHBondContact OH-CD 3.38Å; Y206-R244 VanDerWaalsContact OH-CG 3.31Å; Y206-R244 WeakPolarHBondContact OH-CG 3.2Å; E240-R244 WeakPolarHBondContact O-CB 3.27Å; E240-R244 PolarHBondContact O-N 2.87Å; E241-R244 VanDerWaalsContact CD-NH1 3.25Å; E241-R244 CarbonylContact O-C 3.48Å; E241-R244 PolarHBondContact O-N 3.49Å; E241-R244 IonicContact OE1-CZ 3.66Å; E241-R244 IonicContact OE1-NH1 3.45Å; E241-R244 PolarHBondContact OE1-NH1 3.42Å; E241-R244 IonicContact OE2-NH1 2.91Å; E242-R244 VanDerWaalsContact C-N 3.29Å; E242-R244 PolarHBondContact O-N 3.22Å; R244-R247 WeakPolarHBondContact O-CB 3.37Å; R244-R247 PolarHBondContact O-N 2.85Å; R244-R247 VanDerWaalsContact O-N 3.08Å; R244-Y248 HydrophobicContact CG-CD2 3.4Å; R244-Y248 HydrophobicContact CG-CE2 3.5Å; R244-Y248 PolarHBondContact O-N 3.23Å |
| 245 | A | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | E241 E242 R247 Y248 L249 V258 L261 | E241-A245 VanDerWaalsContact O-CB 3.23Å; E241-A245 WeakPolarHBondContact O-CB 3.3Å; E241-A245 PolarHBondContact O-N 3.1Å; E242-A245 WeakPolarHBondContact O-CB 3.46Å; E242-A245 PolarHBondContact O-N 3.12Å; A245-R247 PolarHBondContact O-N 3.25Å; A245-R247 VanDerWaalsContact O-N 3.17Å; A245-Y248 PolarHBondContact O-N 2.97Å; A245-L249 HydrophobicContact CB-CD1 4.13Å; A245-L249 WeakPolarHBondContact O-CA 3.28Å; A245-L249 VanDerWaalsContact O-CB 3.3Å; A245-L249 WeakPolarHBondContact O-CB 3.47Å; A245-L249 PolarHBondContact O-N 2.82Å; A245-V258 HydrophobicContact CB-CB 4.41Å; A245-V258 HydrophobicContact CB-CG1 3.87Å; A245-V258 HydrophobicContact CB-CG2 4.18Å; A245-L261 HydrophobicContact CB-CD2 3.54Å |
| 246 | L | 87.7 | Confident | 84.4 | Confident | 101 Ų | 101 | 74 Ų | 74 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.3 | -24.4 | 176.9 | -69.6 | 170.4 | 0 | 0 | 0 | 112.7 | E242 T251 V258 | E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 3.14Å; L246-T251 HydrophobicContact CD2-CG2 4.31Å; L246-V258 HydrophobicContact CD2-CG1 4.48Å |
| 247 | R | 86.8 | Confident | 83.9 | Confident | 122 Ų | 122 | 72 Ų | 72 | 46% | 0.46 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -86 | -41.7 | 178.3 | -166.9 | -179.5 | -167.5 | 179.5 | 6.6 | 113.1 | E166 S174 K243 R244 A245 | E166-R247 IonicContact OE1-NH1 3.96Å; S174-R247 VanDerWaalsContact CB-NH2 3.29Å; S174-R247 PolarHBondContact OG-NE 3.49Å; S174-R247 PolarHBondContact OG-NH1 2.87Å; S174-R247 PolarHBondContact OG-NH2 2.94Å; K243-R247 PolarHBondContact O-N 3.31Å; R244-R247 WeakPolarHBondContact O-CB 3.37Å; R244-R247 PolarHBondContact O-N 2.85Å; R244-R247 VanDerWaalsContact O-N 3.08Å; A245-R247 PolarHBondContact O-N 3.25Å; A245-R247 VanDerWaalsContact O-N 3.17Å |
| 248 | Y | 86.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -112 | -18.7 | -167.9 | -62.1 | -37 | 0 | 0 | 0 | 115.9 | V163 E166 F172 S174 V177 I178 R181 Y206 R244 A245 | V163-Y248 HydrophobicContact CG2-CD2 4.26Å; V163-Y248 HydrophobicContact CG2-CE2 4.41Å; E166-Y248 PolarHBondContact OE1-OH 2.91Å; E166-Y248 VanDerWaalsContact OE1-OH 3.14Å; E166-Y248 WeakPolarHBondContact OE2-CE2 3.3Å; E166-Y248 PolarHBondContact OE2-OH 2.94Å; F172-Y248 HydrophobicContact CZ-CE2 4.24Å; F172-Y248 AromaticContact CZ-CZ 3.81Å; F172-Y248 VanDerWaalsContact CZ-OH 3.31Å; F172-Y248 WeakPolarHBondContact CZ-OH 3.45Å; S174-Y248 PolarHBondContact OG-OH 3.2Å; V177-Y248 HydrophobicContact CB-CD1 3.99Å; V177-Y248 HydrophobicContact CB-CE1 4.14Å; V177-Y248 HydrophobicContact CB-CG 4.44Å; V177-Y248 HydrophobicContact CG1-CD1 3.8Å; V177-Y248 HydrophobicContact CG1-CD2 4.34Å; V177-Y248 HydrophobicContact CG1-CE1 4.39Å; V177-Y248 HydrophobicContact CG1-CG 3.81Å; I178-Y248 HydrophobicContact CG1-CD1 4.08Å; I178-Y248 HydrophobicContact CG1-CE1 4.47Å; R181-Y248 VanDerWaalsContact CD-O 3.22Å; R181-Y248 WeakPolarHBondContact CD-O 3.38Å; Y206-Y248 HydrophobicContact CE2-CD2 4.41Å; R244-Y248 HydrophobicContact CG-CD2 3.4Å; R244-Y248 HydrophobicContact CG-CE2 3.5Å; R244-Y248 PolarHBondContact O-N 3.23Å; A245-Y248 PolarHBondContact O-N 2.97Å |
| 249 | L | 85.2 | Confident | 83.4 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -91.7 | 167.7 | 173.8 | -61 | -178.2 | 0 | 0 | 0 | 110.4 | R181 F202 Y206 A245 V258 L261 | R181-L249 PolarHBondContact NH1-O 3.34Å; F202-L249 HydrophobicContact CE1-CD2 4.38Å; Y206-L249 HydrophobicContact CD1-CD2 4.09Å; Y206-L249 HydrophobicContact CD2-CD2 4.25Å; Y206-L249 HydrophobicContact CG-CD2 3.97Å; A245-L249 HydrophobicContact CB-CD1 4.13Å; A245-L249 WeakPolarHBondContact O-CA 3.28Å; A245-L249 VanDerWaalsContact O-CB 3.3Å; A245-L249 WeakPolarHBondContact O-CB 3.47Å; A245-L249 PolarHBondContact O-N 2.82Å; L249-V258 HydrophobicContact CB-CG2 4.24Å; L249-L261 HydrophobicContact CD1-CB 3.87Å; L249-L261 HydrophobicContact CD1-CD2 3.68Å; L249-L261 HydrophobicContact CD1-CG 4.37Å |
| 250 | E | 81.2 | Confident | 83.2 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | trans | -75.6 | 129.5 | 174.5 | -177 | 55 | -92.2 | 0 | 0 | 110.1 | L195 Y198 R252 C255 | L195-E250 HydrophobicContact CD2-CG 4.22Å; Y198-E250 HydrophobicContact CE1-CB 4.04Å; Y198-E250 HydrophobicContact CE2-CB 4.42Å; Y198-E250 PolarHBondContact OH-N 3.2Å; Y198-E250 VanDerWaalsContact OH-N 3.08Å; E250-R252 HydrophobicContact CG-CB 4.2Å; E250-R252 HydrophobicContact CG-CG 4.41Å; E250-R252 WeakPolarHBondContact OE1-CG 3.45Å; E250-R252 PolarHBondContact OE1-N 3.48Å; E250-R252 VanDerWaalsContact OE1-N 3.15Å; E250-R252 IonicContact OE1-NE 3.66Å; E250-R252 PolarHBondContact OE1-NE 2.93Å; E250-R252 IonicContact OE2-CZ 2.76Å; E250-R252 VanDerWaalsContact OE2-CZ 3.28Å; E250-R252 IonicContact OE2-NE 2.7Å; E250-R252 PolarHBondContact OE2-NE 3.33Å; E250-R252 IonicContact OE2-NH2 3.92Å; E250-R252 PolarHBondContact OE2-NH2 3.33Å; E250-C255 HydrophobicContact CB-CB 4.49Å; E250-C255 HydrophobicContact CG-CB 4.17Å | ||
| 251 | T | 80.7 | Confident | 83.2 | Confident | 82 Ų | 82 | 68 Ų | 68 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | trans | -112.6 | 8.4 | -174.9 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | L246 V258 | L246-T251 HydrophobicContact CD2-CG2 4.31Å; T251-V258 HydrophobicContact CG2-CG2 4.45Å | ||
| 252 | R | 77.1 | Confident | 83.2 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -55.6 | 144.9 | 171 | -79.3 | 178.6 | -120.1 | -160.8 | -1.6 | 110.6 | E250 E254 C255 | E250-R252 HydrophobicContact CG-CB 4.2Å; E250-R252 HydrophobicContact CG-CG 4.41Å; E250-R252 WeakPolarHBondContact OE1-CG 3.45Å; E250-R252 PolarHBondContact OE1-N 3.48Å; E250-R252 VanDerWaalsContact OE1-N 3.15Å; E250-R252 IonicContact OE1-NE 3.66Å; E250-R252 PolarHBondContact OE1-NE 2.93Å; E250-R252 IonicContact OE2-CZ 2.76Å; E250-R252 VanDerWaalsContact OE2-CZ 3.28Å; E250-R252 IonicContact OE2-NE 2.7Å; E250-R252 PolarHBondContact OE2-NE 3.33Å; E250-R252 IonicContact OE2-NH2 3.92Å; E250-R252 PolarHBondContact OE2-NH2 3.33Å; R252-E254 PolarHBondContact O-N 3.31Å; R252-C255 WeakPolarHBondContact O-CB 3.48Å; R252-C255 PolarHBondContact O-N 3.09Å |
| 253 | R | 62.3 | Low | 83.1 | Confident | 256 Ų | 256 | 69.9 Ų | 69.9 | 97% | 0.966 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -19.7 | -174.3 | -75.9 | -175.4 | 177.5 | -172.4 | -1 | 115.3 | ||
| 254 | E | 63.7 | Low | 83.1 | Confident | 179 Ų | 179 | 63.5 Ų | 63.5 | 84% | 0.836 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -2.3 | -178.8 | -64.7 | 169.4 | -171.7 | 0 | 0 | 112.7 | R252 | R252-E254 PolarHBondContact O-N 3.31Š|
| 255 | C | 70.8 | Confident | 83.1 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 10% | 0.101 | 29% | 0.294 | C | S | . | . | trans | -113.2 | 117.5 | -172.7 | -157.1 | 0 | 0 | 0 | 0 | 111.7 | L195 E250 R252 S257 | L195-C255 HydrophobicContact CD1-CB 3.93Å; E250-C255 HydrophobicContact CB-CB 4.49Å; E250-C255 HydrophobicContact CG-CB 4.17Å; R252-C255 WeakPolarHBondContact O-CB 3.48Å; R252-C255 PolarHBondContact O-N 3.09Å; C255-S257 PolarHBondContact SG-OG 3.3Å | ||
| 256 | N | 81.1 | Confident | 83.2 | Confident | 113 Ų | 113 | 62.9 Ų | 62.9 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | trans | -93.5 | 16.4 | 179.4 | -67.1 | -17.1 | 0 | 0 | 0 | 113.2 | V258 Q259 A260 | N256-V258 VanDerWaalsContact C-N 3.27Å; N256-V258 PolarHBondContact O-N 3.15Å; N256-Q259 WeakPolarHBondContact O-CB 3.47Å; N256-Q259 PolarHBondContact O-N 2.74Å; N256-A260 PolarHBondContact O-N 3.29Å | ||
| 257 | S | 81.7 | Confident | 83.3 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.5 | -36.4 | -174.6 | -50.7 | 0 | 0 | 0 | 0 | 113.6 | Y198 E203 C255 Q259 A260 L261 | Y198-S257 VanDerWaalsContact CE1-OG 3.31Å; Y198-S257 WeakPolarHBondContact CE1-OG 3.3Å; Y198-S257 PolarHBondContact OH-OG 3.17Å; E203-S257 WeakPolarHBondContact OE1-CA 3.37Å; E203-S257 WeakPolarHBondContact OE2-CB 3.2Å; E203-S257 PolarHBondContact OE2-OG 2.89Å; C255-S257 PolarHBondContact SG-OG 3.3Å; S257-Q259 VanDerWaalsContact C-N 3.34Å; S257-A260 PolarHBondContact O-N 3.31Å; S257-L261 WeakPolarHBondContact O-CB 3.31Å; S257-L261 PolarHBondContact O-N 3.18Å |
| 258 | V | 86.6 | Confident | 83.5 | Confident | 28 Ų | 28 | 56 Ų | 56 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 177.1 | 177 | 0 | 0 | 0 | 0 | 110.1 | A245 L246 L249 T251 N256 L261 M262 | A245-V258 HydrophobicContact CB-CB 4.41Å; A245-V258 HydrophobicContact CB-CG1 3.87Å; A245-V258 HydrophobicContact CB-CG2 4.18Å; L246-V258 HydrophobicContact CD2-CG1 4.48Å; L249-V258 HydrophobicContact CB-CG2 4.24Å; T251-V258 HydrophobicContact CG2-CG2 4.45Å; N256-V258 VanDerWaalsContact C-N 3.27Å; N256-V258 PolarHBondContact O-N 3.15Å; V258-L261 PolarHBondContact O-N 3.41Å; V258-M262 VanDerWaalsContact O-CG 3.3Å; V258-M262 WeakPolarHBondContact O-CG 3.44Å; V258-M262 PolarHBondContact O-N 3.35Å |
| 259 | Q | 86.8 | Confident | 83.6 | Confident | 111 Ų | 111 | 56 Ų | 56 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 176.4 | -175 | 179.3 | -16.7 | 0 | 0 | 111.3 | N256 S257 L261 M262 E263 | N256-Q259 WeakPolarHBondContact O-CB 3.47Å; N256-Q259 PolarHBondContact O-N 2.74Å; S257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-L261 VanDerWaalsContact C-N 3.3Å; Q259-L261 PolarHBondContact O-N 3.38Å; Q259-M262 PolarHBondContact O-N 3.02Å; Q259-M262 VanDerWaalsContact O-N 3.12Å; Q259-E263 PolarHBondContact NE2-OE1 3.48Å; Q259-E263 WeakPolarHBondContact O-CG 3.46Å; Q259-E263 PolarHBondContact O-N 3.13Å |
| 260 | A | 87.9 | Confident | 83.7 | Confident | 31 Ų | 31 | 56 Ų | 56 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N256 S257 E263 C264 | N256-A260 PolarHBondContact O-N 3.29Å; S257-A260 PolarHBondContact O-N 3.31Å; A260-E263 PolarHBondContact O-N 3.28Å; A260-C264 WeakPolarHBondContact O-CB 3.34Å; A260-C264 PolarHBondContact O-N 2.88Å |
| 261 | L | 90.3 | Very high | 84 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 173.2 | 178.5 | 69.6 | 0 | 0 | 0 | 112.2 | Y206 L207 T210 A245 L249 S257 V258 Q259 E263 C264 C265 | Y206-L261 HydrophobicContact CD1-CD1 3.85Å; Y206-L261 HydrophobicContact CD1-CD2 4.19Å; Y206-L261 HydrophobicContact CE1-CD1 3.83Å; Y206-L261 HydrophobicContact CE1-CD2 3.59Å; Y206-L261 HydrophobicContact CE1-CG 4.38Å; L207-L261 HydrophobicContact CD2-CB 3.76Å; L207-L261 HydrophobicContact CD2-CD1 3.69Å; L207-L261 HydrophobicContact CD2-CG 4.34Å; T210-L261 HydrophobicContact CG2-CD1 3.92Å; A245-L261 HydrophobicContact CB-CD2 3.54Å; L249-L261 HydrophobicContact CD1-CB 3.87Å; L249-L261 HydrophobicContact CD1-CD2 3.68Å; L249-L261 HydrophobicContact CD1-CG 4.37Å; S257-L261 WeakPolarHBondContact O-CB 3.31Å; S257-L261 PolarHBondContact O-N 3.18Å; V258-L261 PolarHBondContact O-N 3.41Å; Q259-L261 VanDerWaalsContact C-N 3.3Å; Q259-L261 PolarHBondContact O-N 3.38Å; L261-E263 VanDerWaalsContact C-N 3.33Å; L261-E263 PolarHBondContact O-N 2.97Å; L261-C264 WeakPolarHBondContact O-CB 3.39Å; L261-C264 PolarHBondContact O-N 3.36Å; L261-C265 WeakPolarHBondContact O-CB 3.35Å; L261-C265 PolarHBondContact O-N 3.35Å; L261-C265 PolarHBondContact O-SG 3.12Å |
| 262 | M | 91.1 | Very high | 84.4 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 177.8 | -69.9 | -51.4 | -65.2 | 0 | 0 | 111.3 | L238 E242 V258 Q259 C265 V266 | L238-M262 HydrophobicContact CB-CE 4.15Å; L238-M262 HydrophobicContact CD2-CE 4.08Å; L238-M262 WeakPolarHBondContact O-CE 3.46Å; E242-M262 HydrophobicContact CB-CE 4.05Å; E242-M262 HydrophobicContact CB-SD 3.73Å; E242-M262 HydrophobicContact CG-SD 4.32Å; V258-M262 VanDerWaalsContact O-CG 3.3Å; V258-M262 WeakPolarHBondContact O-CG 3.44Å; V258-M262 PolarHBondContact O-N 3.35Å; Q259-M262 PolarHBondContact O-N 3.02Å; Q259-M262 VanDerWaalsContact O-N 3.12Å; M262-C265 PolarHBondContact O-N 3.37Å; M262-V266 WeakPolarHBondContact O-CB 3.16Å; M262-V266 WeakPolarHBondContact O-CG2 3.16Å; M262-V266 PolarHBondContact O-N 3Å |
| 263 | E | 89.6 | Confident | 84.9 | Confident | 103 Ų | 103 | 53.2 Ų | 53.2 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 173.7 | -72.9 | 175 | -165.9 | 0 | 0 | 111.7 | Q259 A260 L261 C265 V266 N267 | Q259-E263 PolarHBondContact NE2-OE1 3.48Å; Q259-E263 WeakPolarHBondContact O-CG 3.46Å; Q259-E263 PolarHBondContact O-N 3.13Å; A260-E263 PolarHBondContact O-N 3.28Å; L261-E263 VanDerWaalsContact C-N 3.33Å; L261-E263 PolarHBondContact O-N 2.97Å; E263-C265 PolarHBondContact O-N 3.08Å; E263-V266 PolarHBondContact O-N 3.5Å; E263-N267 WeakPolarHBondContact O-CB 3.21Å; E263-N267 VanDerWaalsContact O-CG 3.26Å; E263-N267 PolarHBondContact O-N 3.29Å; E263-N267 PolarHBondContact O-ND2 3.5Å |
| 264 | C | 90.1 | Very high | 86.2 | Confident | 21 Ų | 21 | 45 Ų | 45 | 14% | 0.142 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 174 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | L207 A260 L261 N267 A268 | L207-C264 HydrophobicContact CD2-CB 3.97Å; A260-C264 WeakPolarHBondContact O-CB 3.34Å; A260-C264 PolarHBondContact O-N 2.88Å; L261-C264 WeakPolarHBondContact O-CB 3.39Å; L261-C264 PolarHBondContact O-N 3.36Å; C264-N267 PolarHBondContact O-N 2.75Å; C264-A268 WeakPolarHBondContact O-CB 3.14Å; C264-A268 PolarHBondContact O-N 3.29Å |
| 265 | C | 90.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.8 | -42.7 | 178.4 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | T210 L238 L261 M262 E263 N267 A268 L269 | T210-C265 VanDerWaalsContact CG2-SG 3.51Å; L238-C265 HydrophobicContact CD2-CB 3.61Å; L261-C265 WeakPolarHBondContact O-CB 3.35Å; L261-C265 PolarHBondContact O-N 3.35Å; L261-C265 PolarHBondContact O-SG 3.12Å; M262-C265 PolarHBondContact O-N 3.37Å; E263-C265 PolarHBondContact O-N 3.08Å; C265-N267 VanDerWaalsContact C-N 3.29Å; C265-N267 PolarHBondContact O-N 3Å; C265-A268 PolarHBondContact O-N 3.19Å; C265-L269 VanDerWaalsContact O-CB 3.25Å; C265-L269 WeakPolarHBondContact O-CB 3.16Å; C265-L269 PolarHBondContact O-N 3.11Å |
| 266 | V | 90.8 | Very high | 88.3 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 175 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | L238 M262 E263 V270 T271 K302 V303 | L238-V266 HydrophobicContact CD1-CG2 4.29Å; L238-V266 HydrophobicContact CD2-CG2 3.9Å; M262-V266 WeakPolarHBondContact O-CB 3.16Å; M262-V266 WeakPolarHBondContact O-CG2 3.16Å; M262-V266 PolarHBondContact O-N 3Å; E263-V266 PolarHBondContact O-N 3.5Å; V266-V270 HydrophobicContact CG1-CB 4.29Å; V266-V270 CarbonylContact O-C 3.58Å; V266-V270 VanDerWaalsContact O-CA 3.31Å; V266-V270 WeakPolarHBondContact O-CA 3.28Å; V266-V270 VanDerWaalsContact O-CB 3.3Å; V266-V270 WeakPolarHBondContact O-CB 3.39Å; V266-V270 PolarHBondContact O-N 2.82Å; V266-T271 PolarHBondContact O-N 3.05Å; V266-T271 PolarHBondContact O-OG1 2.84Å; V266-K302 HydrophobicContact CG1-CB 4.1Å; V266-K302 HydrophobicContact CG2-CB 4.01Å; V266-K302 HydrophobicContact CG2-CD 4.2Å; V266-V303 HydrophobicContact CG1-CG2 3.7Å |
| 267 | N | 89.6 | Confident | 88.6 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 176.7 | -75.5 | -29.4 | 0 | 0 | 0 | 112.9 | E263 C264 C265 T271 S272 | E263-N267 WeakPolarHBondContact O-CB 3.21Å; E263-N267 VanDerWaalsContact O-CG 3.26Å; E263-N267 PolarHBondContact O-N 3.29Å; E263-N267 PolarHBondContact O-ND2 3.5Å; C264-N267 PolarHBondContact O-N 2.75Å; C265-N267 VanDerWaalsContact C-N 3.29Å; C265-N267 PolarHBondContact O-N 3Å; N267-T271 WeakPolarHBondContact CA-OG1 3.29Å; N267-T271 PolarHBondContact OD1-OG1 2.88Å; N267-S272 PolarHBondContact O-N 3.11Å; N267-S272 VanDerWaalsContact O-N 3.13Å; N267-S272 PolarHBondContact O-OG 3.2Å |
| 268 | A | 89.8 | Confident | 88.9 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.8 | -41.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | E211 C264 C265 | E211-A268 HydrophobicContact CG-CB 4.23Å; C264-A268 WeakPolarHBondContact O-CB 3.14Å; C264-A268 PolarHBondContact O-N 3.29Å; C265-A268 PolarHBondContact O-N 3.19Å |
| 269 | L | 88 | Confident | 89.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -93.5 | -34.1 | -173.8 | -72 | 170.3 | 0 | 0 | 0 | 113.7 | Y214 A218 Y230 K237 L238 C265 F273 | Y214-L269 HydrophobicContact CD1-CD1 4.04Å; Y214-L269 HydrophobicContact CD1-CD2 3.58Å; Y214-L269 HydrophobicContact CD1-CG 4.08Å; Y214-L269 HydrophobicContact CD2-CD1 4.31Å; Y214-L269 HydrophobicContact CD2-CG 4.5Å; Y214-L269 HydrophobicContact CE1-CD1 4.2Å; Y214-L269 HydrophobicContact CE1-CD2 4.35Å; Y214-L269 HydrophobicContact CE2-CD1 4.49Å; Y214-L269 HydrophobicContact CG-CD1 4.09Å; Y214-L269 HydrophobicContact CG-CD2 3.85Å; Y214-L269 HydrophobicContact CG-CG 3.95Å; A218-L269 HydrophobicContact CB-CD2 3.99Å; Y230-L269 WeakPolarHBondContact CE1-O 3.34Å; Y230-L269 PolarHBondContact OH-O 3.3Å; K237-L269 HydrophobicContact CB-CD1 4.13Å; L238-L269 HydrophobicContact CD2-CD1 4.23Å; L238-L269 HydrophobicContact CG-CD1 4.3Å; C265-L269 VanDerWaalsContact O-CB 3.25Å; C265-L269 WeakPolarHBondContact O-CB 3.16Å; C265-L269 PolarHBondContact O-N 3.11Å; L269-F273 WeakPolarHBondContact O-CD2 3.29Å |
| 270 | V | 88.3 | Confident | 89.2 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -56.7 | -170 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | L238 V266 S272 F273 K274 I277 L299 M300 V303 | L238-V270 HydrophobicContact CD1-CG2 4.04Å; V266-V270 HydrophobicContact CG1-CB 4.29Å; V266-V270 CarbonylContact O-C 3.58Å; V266-V270 VanDerWaalsContact O-CA 3.31Å; V266-V270 WeakPolarHBondContact O-CA 3.28Å; V266-V270 VanDerWaalsContact O-CB 3.3Å; V266-V270 WeakPolarHBondContact O-CB 3.39Å; V266-V270 PolarHBondContact O-N 2.82Å; V270-S272 VanDerWaalsContact C-N 3.3Å; V270-S272 PolarHBondContact O-N 2.9Å; V270-F273 CarbonylContact O-C 3.48Å; V270-F273 PolarHBondContact O-N 2.98Å; V270-K274 PolarHBondContact O-N 3.47Å; V270-I277 HydrophobicContact CG1-CD1 4.48Å; V270-L299 HydrophobicContact CG1-CB 4.14Å; V270-L299 HydrophobicContact CG2-CD2 4.16Å; V270-M300 HydrophobicContact CG1-CE 3.4Å; V270-V303 HydrophobicContact CB-CG2 3.98Å; V270-V303 HydrophobicContact CG1-CG2 3.59Å |
| 271 | T | 88.4 | Confident | 89.2 | Confident | 37 Ų | 37 | 40.4 Ų | 40.4 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -59.4 | -40.2 | -175.9 | -51.4 | 0 | 0 | 0 | 0 | 112.2 | V266 N267 F273 K274 V303 | V266-T271 PolarHBondContact O-N 3.05Å; V266-T271 PolarHBondContact O-OG1 2.84Å; N267-T271 WeakPolarHBondContact CA-OG1 3.29Å; N267-T271 PolarHBondContact OD1-OG1 2.88Å; T271-F273 PolarHBondContact O-N 2.87Å; T271-K274 HydrophobicContact CG2-CD 4.44Å; T271-K274 WeakPolarHBondContact O-CB 3.48Å; T271-K274 VanDerWaalsContact O-CG 3.3Å; T271-K274 WeakPolarHBondContact O-CG 3.44Å; T271-K274 PolarHBondContact O-N 2.89Å; T271-V303 HydrophobicContact CG2-CG1 4.3Å |
| 272 | S | 87.4 | Confident | 89.2 | Confident | 75 Ų | 75 | 42.4 Ų | 42.4 | 52% | 0.524 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -63.4 | -25.6 | 179 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | N267 V270 | N267-S272 PolarHBondContact O-N 3.11Å; N267-S272 VanDerWaalsContact O-N 3.13Å; N267-S272 PolarHBondContact O-OG 3.2Å; V270-S272 VanDerWaalsContact C-N 3.3Å; V270-S272 PolarHBondContact O-N 2.9Å |
| 273 | F | 88.4 | Confident | 89.1 | Confident | 31 Ų | 31 | 42.1 Ų | 42.1 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -115.6 | 13 | -178.1 | -57.2 | -80.5 | 0 | 0 | 0 | 112.7 | A218 P219 L222 Y230 L269 V270 T271 E275 T276 I277 | A218-F273 HydrophobicContact CB-CE2 3.68Å; A218-F273 HydrophobicContact CB-CZ 3.99Å; P219-F273 HydrophobicContact CB-CE1 4.45Å; P219-F273 HydrophobicContact CB-CZ 4.3Å; P219-F273 HydrophobicContact CG-CE1 4.44Å; P219-F273 HydrophobicContact CG-CZ 3.87Å; L222-F273 HydrophobicContact CD2-CD1 3.41Å; L222-F273 VanDerWaalsContact CD2-CD1 3.41Å; L222-F273 HydrophobicContact CD2-CE1 3.83Å; L222-F273 HydrophobicContact CD2-CG 4.16Å; Y230-F273 HydrophobicContact CE1-CB 4.27Å; Y230-F273 HydrophobicContact CE1-CD2 4.16Å; Y230-F273 HydrophobicContact CE1-CG 4.33Å; Y230-F273 AromaticContact CZ-CD2 3.84Å; Y230-F273 WeakPolarHBondContact OH-CD2 3.49Å; Y230-F273 WeakPolarHBondContact OH-CE2 3.48Å; L269-F273 WeakPolarHBondContact O-CD2 3.29Å; V270-F273 CarbonylContact O-C 3.48Å; V270-F273 PolarHBondContact O-N 2.98Å; T271-F273 PolarHBondContact O-N 2.87Å; F273-E275 VanDerWaalsContact C-N 3.28Å; F273-E275 PolarHBondContact O-N 3.42Å; F273-T276 PolarHBondContact O-N 2.98Å; F273-I277 HydrophobicContact CB-CD1 4.32Å; F273-I277 WeakPolarHBondContact O-CG1 3.43Å; F273-I277 PolarHBondContact O-N 3.24Å |
| 274 | K | 88.8 | Confident | 89 | Confident | 83 Ų | 83 | 37.2 Ų | 37.2 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.3 | -42.5 | -173.5 | 72.2 | -175.4 | -177.2 | 174.3 | 0 | 112.3 | V270 T271 T276 I277 L278 | V270-K274 PolarHBondContact O-N 3.47Å; T271-K274 HydrophobicContact CG2-CD 4.44Å; T271-K274 WeakPolarHBondContact O-CB 3.48Å; T271-K274 VanDerWaalsContact O-CG 3.3Å; T271-K274 WeakPolarHBondContact O-CG 3.44Å; T271-K274 PolarHBondContact O-N 2.89Å; K274-T276 PolarHBondContact O-N 3.43Å; K274-I277 PolarHBondContact O-N 3.16Å; K274-L278 VanDerWaalsContact O-CB 3.31Å; K274-L278 WeakPolarHBondContact O-CB 3.03Å; K274-L278 WeakPolarHBondContact O-CG 3.38Å; K274-L278 PolarHBondContact O-N 3.14Å |
| 275 | E | 89.1 | Confident | 89 | Confident | 149 Ų | 149 | 36.2 Ų | 36.2 | 70% | 0.696 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -67.1 | -39.7 | -176.3 | -64.3 | -176.8 | 177.7 | 0 | 0 | 111.4 | F273 L278 A279 | F273-E275 VanDerWaalsContact C-N 3.28Å; F273-E275 PolarHBondContact O-N 3.42Å; E275-L278 PolarHBondContact O-N 3.02Å; E275-A279 WeakPolarHBondContact O-CB 3.46Å; E275-A279 PolarHBondContact O-N 3.37Å |
| 276 | T | 89.3 | Confident | 88.9 | Confident | 67 Ų | 67 | 42.9 Ų | 42.9 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.3 | -37.7 | 176.4 | -43.8 | 0 | 0 | 0 | 0 | 111.8 | V227 F273 K274 | V227-T276 HydrophobicContact CG2-CG2 3.89Å; F273-T276 PolarHBondContact O-N 2.98Å; K274-T276 PolarHBondContact O-N 3.43Å |
| 277 | I | 88.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.9 | -46.5 | 176.1 | -63 | 165.1 | 0 | 0 | 0 | 110.4 | V227 Y230 M231 V270 F273 K274 A279 E280 M296 M300 | V227-I277 HydrophobicContact CG1-CB 4.39Å; V227-I277 HydrophobicContact CG1-CG1 4.12Å; Y230-I277 HydrophobicContact CD1-CD1 4.47Å; Y230-I277 HydrophobicContact CE1-CD1 4.33Å; M231-I277 HydrophobicContact CG-CG2 4.14Å; M231-I277 HydrophobicContact SD-CG2 3.69Å; V270-I277 HydrophobicContact CG1-CD1 4.48Å; F273-I277 HydrophobicContact CB-CD1 4.32Å; F273-I277 WeakPolarHBondContact O-CG1 3.43Å; F273-I277 PolarHBondContact O-N 3.24Å; K274-I277 PolarHBondContact O-N 3.16Å; I277-A279 VanDerWaalsContact C-N 3.3Å; I277-A279 PolarHBondContact O-N 3.15Å; I277-E280 PolarHBondContact O-N 2.99Å; I277-M296 HydrophobicContact CG2-CG 3.84Å; I277-M296 HydrophobicContact CG2-SD 4.05Å; I277-M300 HydrophobicContact CB-CE 4.08Å; I277-M300 HydrophobicContact CD1-CE 3.83Å; I277-M300 HydrophobicContact CG2-CE 3.81Å |
| 278 | L | 88.4 | Confident | 88.6 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.9 | -30.1 | -179.6 | -69.9 | 170.1 | 0 | 0 | 0 | 112.6 | K274 E275 E280 C281 P282 M300 P309 M310 | K274-L278 VanDerWaalsContact O-CB 3.31Å; K274-L278 WeakPolarHBondContact O-CB 3.03Å; K274-L278 WeakPolarHBondContact O-CG 3.38Å; K274-L278 PolarHBondContact O-N 3.14Å; E275-L278 PolarHBondContact O-N 3.02Å; L278-E280 PolarHBondContact O-N 3.21Å; L278-C281 WeakPolarHBondContact O-CB 3.45Å; L278-C281 PolarHBondContact O-N 3.3Å; L278-P282 WeakPolarHBondContact O-CD 3.48Å; L278-M300 HydrophobicContact CD2-CG 4.27Å; L278-M300 HydrophobicContact CD2-SD 4.2Å; L278-M300 HydrophobicContact CG-SD 4.33Å; L278-P309 HydrophobicContact CD1-CB 3.93Å; L278-P309 HydrophobicContact CD1-CG 3.8Å; L278-P309 HydrophobicContact CD2-CB 4.2Å; L278-M310 HydrophobicContact CD2-CG 3.58Å; L278-M310 HydrophobicContact CD2-SD 4.38Å |
| 279 | A | 89.8 | Confident | 88.6 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 61% | 0.612 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.3 | -26.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E275 I277 | E275-A279 WeakPolarHBondContact O-CB 3.46Å; E275-A279 PolarHBondContact O-N 3.37Å; I277-A279 VanDerWaalsContact C-N 3.3Å; I277-A279 PolarHBondContact O-N 3.15Å |
| 280 | E | 88.6 | Confident | 88.7 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 33% | 0.327 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -83.9 | -16.4 | 176.6 | -72.1 | -67.7 | 138.4 | 0 | 0 | 113.2 | V227 I277 L278 G283 M284 | V227-E280 HydrophobicContact CB-CG 4.02Å; V227-E280 HydrophobicContact CG1-CG 4Å; V227-E280 HydrophobicContact CG2-CG 4.11Å; I277-E280 PolarHBondContact O-N 2.99Å; L278-E280 PolarHBondContact O-N 3.21Å; E280-G283 PolarHBondContact O-N 2.98Å; E280-G283 VanDerWaalsContact O-N 3.13Å; E280-M284 HydrophobicContact CB-CE 3.83Å; E280-M284 WeakPolarHBondContact O-CG 3.29Å; E280-M284 PolarHBondContact O-N 3.43Å |
| 281 | C | 89.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.8 | -50.8 | -176.9 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | L278 G283 M284 I285 M296 D313 | L278-C281 WeakPolarHBondContact O-CB 3.45Å; L278-C281 PolarHBondContact O-N 3.3Å; C281-G283 VanDerWaalsContact C-N 3.26Å; C281-G283 PolarHBondContact O-N 2.98Å; C281-M284 PolarHBondContact O-N 3.23Å; C281-I285 VanDerWaalsContact O-CG1 3.31Å; C281-I285 WeakPolarHBondContact O-CG1 3.47Å; C281-I285 PolarHBondContact O-N 3Å; C281-I285 VanDerWaalsContact SG-CD1 3.58Å; C281-M296 HydrophobicContact CB-CE 3.35Å; C281-M296 HydrophobicContact CB-SD 3.88Å; C281-M296 WeakPolarHBondContact SG-CE 3.48Å; C281-D313 PolarHBondContact SG-OD2 3.05Å |
| 282 | P | 89.1 | Confident | 88.8 | Confident | 42 Ų | 42 | 61.1 Ų | 61.1 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -35.1 | 178.8 | -23.3 | 33.3 | 0 | 0 | 0 | 113.4 | L278 K286 D313 | L278-P282 WeakPolarHBondContact O-CD 3.48Å; P282-K286 WeakPolarHBondContact O-CB 3.39Å; P282-K286 VanDerWaalsContact O-CG 3.28Å; P282-K286 WeakPolarHBondContact O-CG 3.27Å; P282-K286 PolarHBondContact O-N 2.86Å; P282-K286 VanDerWaalsContact O-N 3.1Å; P282-D313 HydrophobicContact CG-CB 4.27Å |
| 283 | G | 88.8 | Confident | 89 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E280 C281 K286 R287 | E280-G283 PolarHBondContact O-N 2.98Å; E280-G283 VanDerWaalsContact O-N 3.13Å; C281-G283 VanDerWaalsContact C-N 3.26Å; C281-G283 PolarHBondContact O-N 2.98Å; G283-K286 PolarHBondContact O-N 3.45Å; G283-R287 WeakPolarHBondContact O-CG 3.41Å; G283-R287 PolarHBondContact O-N 3.41Å; G283-R287 VanDerWaalsContact O-N 3.14Å |
| 284 | M | 88.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 177.3 | -68.3 | 176.4 | -176.7 | 0 | 0 | 112.2 | Q228 M231 E280 C281 R287 N288 E289 K292 L293 M296 | Q228-M284 HydrophobicContact CG-CE 3.71Å; M231-M284 HydrophobicContact CE-CE 3.49Å; M231-M284 VanDerWaalsContact CE-CE 3.49Å; M231-M284 HydrophobicContact CE-SD 4.16Å; E280-M284 HydrophobicContact CB-CE 3.83Å; E280-M284 WeakPolarHBondContact O-CG 3.29Å; E280-M284 PolarHBondContact O-N 3.43Å; C281-M284 PolarHBondContact O-N 3.23Å; M284-R287 PolarHBondContact O-N 3.44Å; M284-N288 PolarHBondContact O-N 3.34Å; M284-E289 HydrophobicContact CB-CB 4.44Å; M284-E289 PolarHBondContact O-N 2.9Å; M284-E289 VanDerWaalsContact O-N 3.08Å; M284-K292 HydrophobicContact SD-CB 4.11Å; M284-L293 HydrophobicContact CB-CD2 3.57Å; M284-L293 HydrophobicContact CB-CG 3.94Å; M284-M296 HydrophobicContact SD-SD 4.32Å |
| 285 | I | 89.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -50.4 | 174 | -67.4 | 172 | 0 | 0 | 0 | 109.8 | C281 R287 N288 L293 D313 L314 H317 L354 | C281-I285 VanDerWaalsContact O-CG1 3.31Å; C281-I285 WeakPolarHBondContact O-CG1 3.47Å; C281-I285 PolarHBondContact O-N 3Å; C281-I285 VanDerWaalsContact SG-CD1 3.58Å; I285-R287 VanDerWaalsContact C-N 3.26Å; I285-R287 PolarHBondContact O-N 3.38Å; I285-N288 PolarHBondContact O-N 2.96Å; I285-N288 VanDerWaalsContact O-N 3.12Å; I285-L293 HydrophobicContact CG1-CD1 4.18Å; I285-L293 HydrophobicContact CG1-CD2 3.82Å; I285-D313 HydrophobicContact CD1-CB 4.07Å; I285-L314 HydrophobicContact CD1-CB 4.19Å; I285-L314 HydrophobicContact CD1-CD1 4.48Å; I285-L314 HydrophobicContact CG2-CD1 4.17Å; I285-H317 HydrophobicContact CG2-CB 3.86Å; I285-H317 WeakPolarHBondContact CG2-CD2 3.14Å; I285-L354 HydrophobicContact CG2-CD2 4.18Å |
| 286 | K | 87.4 | Confident | 89.4 | Confident | 142 Ų | 142 | 48.9 Ų | 48.9 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.3 | -34.1 | 179.7 | -77.5 | 173.5 | -178.2 | -179.1 | 0 | 113.6 | P282 G283 H317 | P282-K286 WeakPolarHBondContact O-CB 3.39Å; P282-K286 VanDerWaalsContact O-CG 3.28Å; P282-K286 WeakPolarHBondContact O-CG 3.27Å; P282-K286 PolarHBondContact O-N 2.86Å; P282-K286 VanDerWaalsContact O-N 3.1Å; G283-K286 PolarHBondContact O-N 3.45Å; K286-H317 VanDerWaalsContact CG-CE1 3.47Å; K286-H317 WeakPolarHBondContact CG-CE1 3.26Å; K286-H317 WeakPolarHBondContact CG-ND1 3.24Å |
| 287 | R | 88.9 | Confident | 89.5 | Confident | 130 Ų | 130 | 46.5 Ų | 46.5 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0 | -179.6 | -68.8 | -174.9 | -61.4 | -96.2 | -1.9 | 114 | G283 M284 I285 E289 | G283-R287 WeakPolarHBondContact O-CG 3.41Å; G283-R287 PolarHBondContact O-N 3.41Å; G283-R287 VanDerWaalsContact O-N 3.14Å; M284-R287 PolarHBondContact O-N 3.44Å; I285-R287 VanDerWaalsContact C-N 3.26Å; I285-R287 PolarHBondContact O-N 3.38Å; R287-E289 VanDerWaalsContact C-N 3.3Å; R287-E289 HydrophobicContact CB-CG 3.83Å; R287-E289 IonicContact CZ-OE2 2.81Å; R287-E289 IonicContact NE-OE1 3.94Å; R287-E289 IonicContact NE-OE2 2.93Å; R287-E289 PolarHBondContact NE-OE2 2.91Å; R287-E289 IonicContact NH2-OE2 3.79Å; R287-E289 PolarHBondContact NH2-OE2 3.47Å; R287-E289 PolarHBondContact O-N 3.48Å |
| 288 | N | 87.1 | Confident | 89.6 | Confident | 82 Ų | 82 | 48.3 Ų | 48.3 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 40.3 | -174.4 | -63.4 | -42.9 | 0 | 0 | 0 | 113.6 | M284 I285 T290 | M284-N288 PolarHBondContact O-N 3.34Å; I285-N288 PolarHBondContact O-N 2.96Å; I285-N288 VanDerWaalsContact O-N 3.12Å; N288-T290 VanDerWaalsContact C-N 3.28Å; N288-T290 PolarHBondContact O-N 3.39Å |
| 289 | E | 89.9 | Confident | 89.6 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | trans | -81.4 | 68.7 | 179.5 | -64.1 | -179 | 120.2 | 0 | 0 | 111.4 | M284 R287 E291 K292 L293 | M284-E289 HydrophobicContact CB-CB 4.44Å; M284-E289 PolarHBondContact O-N 2.9Å; M284-E289 VanDerWaalsContact O-N 3.08Å; R287-E289 VanDerWaalsContact C-N 3.3Å; R287-E289 HydrophobicContact CB-CG 3.83Å; R287-E289 IonicContact CZ-OE2 2.81Å; R287-E289 IonicContact NE-OE1 3.94Å; R287-E289 IonicContact NE-OE2 2.93Å; R287-E289 PolarHBondContact NE-OE2 2.91Å; R287-E289 IonicContact NH2-OE2 3.79Å; R287-E289 PolarHBondContact NH2-OE2 3.47Å; R287-E289 PolarHBondContact O-N 3.48Å; E289-E291 PolarHBondContact O-N 3.47Å; E289-K292 HydrophobicContact CB-CB 4.25Å; E289-K292 HydrophobicContact CB-CD 4.06Å; E289-K292 HydrophobicContact CB-CG 4.33Å; E289-K292 HydrophobicContact CG-CD 4.44Å; E289-K292 PolarHBondContact O-N 3.04Å; E289-K292 VanDerWaalsContact O-N 3.13Å; E289-K292 IonicContact OE1-NZ 3.53Å; E289-K292 PolarHBondContact OE1-NZ 3.01Å; E289-L293 WeakPolarHBondContact O-CG 3.45Å; E289-L293 PolarHBondContact O-N 3.39Å | ||
| 290 | T | 90 | Very high | 89.7 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.1 | -43.6 | -169.8 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | N288 K292 L293 H294 L354 E357 A358 | N288-T290 VanDerWaalsContact C-N 3.28Å; N288-T290 PolarHBondContact O-N 3.39Å; T290-K292 VanDerWaalsContact C-N 3.31Å; T290-K292 PolarHBondContact O-N 2.93Å; T290-L293 PolarHBondContact O-N 2.91Å; T290-H294 WeakPolarHBondContact O-CB 3.18Å; T290-H294 PolarHBondContact O-N 3.36Å; T290-L354 HydrophobicContact CG2-CD1 3.98Å; T290-E357 HydrophobicContact CG2-CB 3.71Å; T290-A358 HydrophobicContact CG2-CB 4.38Å |
| 291 | E | 89.6 | Confident | 89.7 | Confident | 164 Ų | 164 | 44.2 Ų | 44.2 | 77% | 0.766 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.4 | -38.9 | 177.9 | -64.3 | -175.7 | 170.7 | 0 | 0 | 112.7 | E289 H294 L295 | E289-E291 PolarHBondContact O-N 3.47Å; E291-H294 PolarHBondContact O-N 3.47Å; E291-L295 PolarHBondContact O-N 2.85Å; E291-L295 VanDerWaalsContact O-N 3.12Å |
| 292 | K | 89 | Confident | 89.6 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -74.3 | -39.7 | -179.1 | -58.7 | -178.4 | -169.7 | 173.7 | 0 | 110.8 | Q228 M284 E289 T290 H294 L295 M296 | Q228-K292 VanDerWaalsContact OE1-CE 3.31Å; M284-K292 HydrophobicContact SD-CB 4.11Å; E289-K292 HydrophobicContact CB-CB 4.25Å; E289-K292 HydrophobicContact CB-CD 4.06Å; E289-K292 HydrophobicContact CB-CG 4.33Å; E289-K292 HydrophobicContact CG-CD 4.44Å; E289-K292 PolarHBondContact O-N 3.04Å; E289-K292 VanDerWaalsContact O-N 3.13Å; E289-K292 IonicContact OE1-NZ 3.53Å; E289-K292 PolarHBondContact OE1-NZ 3.01Å; T290-K292 VanDerWaalsContact C-N 3.31Å; T290-K292 PolarHBondContact O-N 2.93Å; K292-H294 VanDerWaalsContact C-N 3.3Å; K292-H294 PolarHBondContact O-N 3.14Å; K292-L295 PolarHBondContact O-N 2.96Å; K292-M296 WeakPolarHBondContact O-CB 3.32Å; K292-M296 PolarHBondContact O-N 3.36Å |
| 293 | L | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.1 | -38.1 | 173.3 | -70.6 | 170 | 0 | 0 | 0 | 111.7 | M284 I285 E289 T290 M296 F297 L354 A358 F359 | M284-L293 HydrophobicContact CB-CD2 3.57Å; M284-L293 HydrophobicContact CB-CG 3.94Å; I285-L293 HydrophobicContact CG1-CD1 4.18Å; I285-L293 HydrophobicContact CG1-CD2 3.82Å; E289-L293 WeakPolarHBondContact O-CG 3.45Å; E289-L293 PolarHBondContact O-N 3.39Å; T290-L293 PolarHBondContact O-N 2.91Å; L293-M296 HydrophobicContact CD2-CE 3.72Å; L293-M296 PolarHBondContact O-N 2.48Å; L293-F297 WeakPolarHBondContact O-CB 3.26Å; L293-F297 PolarHBondContact O-N 3.22Å; L293-L354 HydrophobicContact CD1-CD1 4.13Å; L293-A358 HydrophobicContact CB-CB 3.72Å; L293-A358 HydrophobicContact CD1-CB 4.05Å; L293-F359 HydrophobicContact CB-CE1 4.43Å; L293-F359 HydrophobicContact CB-CZ 4.46Å |
| 294 | H | 91.8 | Very high | 89.2 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 175.6 | -175.1 | 57.3 | 0 | 0 | 0 | 112.1 | T290 E291 K292 F297 S298 A358 Q360 | T290-H294 WeakPolarHBondContact O-CB 3.18Å; T290-H294 PolarHBondContact O-N 3.36Å; E291-H294 PolarHBondContact O-N 3.47Å; K292-H294 VanDerWaalsContact C-N 3.3Å; K292-H294 PolarHBondContact O-N 3.14Å; H294-F297 PolarHBondContact O-N 3Å; H294-S298 PolarHBondContact O-N 2.93Å; H294-A358 WeakPolarHBondContact CA-O 3.33Å; H294-A358 WeakPolarHBondContact CB-O 3.38Å; H294-A358 PolarHBondContact ND1-O 3.27Å; H294-Q360 PolarHBondContact CE1-NE2 2.98Å; H294-Q360 PolarHBondContact NE2-NE2 3.08Å |
| 295 | L | 91.2 | Very high | 88.8 | Confident | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 174.2 | -179.5 | 64.5 | 0 | 0 | 0 | 111.8 | M231 K232 D235 E291 K292 F297 S298 L299 | M231-L295 HydrophobicContact CB-CD2 3.75Å; M231-L295 HydrophobicContact CB-CG 4.16Å; K232-L295 HydrophobicContact CB-CD2 4.3Å; K232-L295 HydrophobicContact CG-CD2 3.51Å; D235-L295 HydrophobicContact CB-CD1 3.63Å; E291-L295 PolarHBondContact O-N 2.85Å; E291-L295 VanDerWaalsContact O-N 3.12Å; K292-L295 PolarHBondContact O-N 2.96Å; L295-F297 VanDerWaalsContact C-N 3.34Å; L295-F297 PolarHBondContact O-N 3.13Å; L295-S298 PolarHBondContact O-N 3.01Å; L295-L299 HydrophobicContact CG-CD1 4.42Å; L295-L299 WeakPolarHBondContact O-CG 3.01Å; L295-L299 PolarHBondContact O-N 3.36Å; L295-L299 VanDerWaalsContact O-N 3.09Å |
| 296 | M | 91.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 177 | -171.8 | 173 | 73.4 | 0 | 0 | 111.6 | M231 I277 C281 M284 K292 L293 L299 M300 M310 | M231-M296 HydrophobicContact SD-CB 3.72Å; M231-M296 HydrophobicContact SD-CG 3.94Å; M231-M296 HydrophobicContact SD-SD 4.48Å; I277-M296 HydrophobicContact CG2-CG 3.84Å; I277-M296 HydrophobicContact CG2-SD 4.05Å; C281-M296 HydrophobicContact CB-CE 3.35Å; C281-M296 HydrophobicContact CB-SD 3.88Å; C281-M296 WeakPolarHBondContact SG-CE 3.48Å; M284-M296 HydrophobicContact SD-SD 4.32Å; K292-M296 WeakPolarHBondContact O-CB 3.32Å; K292-M296 PolarHBondContact O-N 3.36Å; L293-M296 HydrophobicContact CD2-CE 3.72Å; L293-M296 PolarHBondContact O-N 2.48Å; M296-L299 PolarHBondContact O-N 2.94Å; M296-M300 HydrophobicContact CG-CG 4.28Å; M296-M300 WeakPolarHBondContact O-CB 3.47Å; M296-M300 VanDerWaalsContact O-CG 3.27Å; M296-M300 WeakPolarHBondContact O-CG 3.41Å; M296-M300 PolarHBondContact O-N 3.37Å; M296-M310 HydrophobicContact CE-CE 3.39Å; M296-M310 HydrophobicContact CE-CG 4.21Å; M296-M310 HydrophobicContact CE-SD 3.96Å; M296-M310 HydrophobicContact CG-CE 4.3Å; M296-M310 HydrophobicContact CG-SD 4.2Å |
| 297 | F | 91.6 | Very high | 88.6 | Confident | 16 Ų | 16 | 49 Ų | 49 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 174.9 | 169 | -113.5 | 0 | 0 | 0 | 111.7 | L293 H294 L295 L299 M300 D301 I307 M310 F359 D362 F365 | L293-F297 WeakPolarHBondContact O-CB 3.26Å; L293-F297 PolarHBondContact O-N 3.22Å; H294-F297 PolarHBondContact O-N 3Å; L295-F297 VanDerWaalsContact C-N 3.34Å; L295-F297 PolarHBondContact O-N 3.13Å; F297-L299 VanDerWaalsContact C-N 3.26Å; F297-L299 PolarHBondContact O-N 3.29Å; F297-M300 PolarHBondContact O-N 2.96Å; F297-D301 HydrophobicContact CE2-CB 4.36Å; F297-D301 VanDerWaalsContact O-CB 3.32Å; F297-D301 WeakPolarHBondContact O-CB 3.06Å; F297-D301 PolarHBondContact O-N 3.24Å; F297-I307 HydrophobicContact CE2-CD1 4.09Å; F297-M310 HydrophobicContact CB-CE 4.09Å; F297-F359 HydrophobicContact CB-CD1 3.89Å; F297-F359 HydrophobicContact CB-CE1 4.2Å; F297-F359 HydrophobicContact CD2-CD1 4.23Å; F297-F359 HydrophobicContact CG-CD1 4.01Å; F297-D362 HydrophobicContact CZ-CB 4.09Å; F297-F365 AromaticContact CD2-CE2 3.61Å; F297-F365 HydrophobicContact CD2-CE2 3.61Å; F297-F365 HydrophobicContact CD2-CZ 4.11Å; F297-F365 HydrophobicContact CE2-CD2 4.32Å; F297-F365 AromaticContact CE2-CE2 3.63Å; F297-F365 HydrophobicContact CE2-CE2 3.63Å |
| 298 | S | 90.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 48.6 Ų | 48.6 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -35.3 | 178.5 | -173.7 | 0 | 0 | 0 | 0 | 113 | H294 L295 | H294-S298 PolarHBondContact O-N 2.93Å; L295-S298 PolarHBondContact O-N 3.01Å |
| 299 | L | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.5 | -44.3 | 175.3 | -67.9 | 172.6 | 0 | 0 | 0 | 112.1 | M231 A234 D235 L238 V270 L295 M296 F297 K302 | M231-L299 HydrophobicContact CB-CD1 3.73Å; M231-L299 HydrophobicContact CG-CD1 3.94Å; A234-L299 HydrophobicContact CB-CD2 4.4Å; D235-L299 HydrophobicContact CB-CD2 4.09Å; L238-L299 HydrophobicContact CD1-CD2 3.83Å; V270-L299 HydrophobicContact CG1-CB 4.14Å; V270-L299 HydrophobicContact CG2-CD2 4.16Å; L295-L299 HydrophobicContact CG-CD1 4.42Å; L295-L299 WeakPolarHBondContact O-CG 3.01Å; L295-L299 PolarHBondContact O-N 3.36Å; L295-L299 VanDerWaalsContact O-N 3.09Å; M296-L299 PolarHBondContact O-N 2.94Å; F297-L299 VanDerWaalsContact C-N 3.26Å; F297-L299 PolarHBondContact O-N 3.29Å; L299-K302 PolarHBondContact O-N 3.4Å |
| 300 | M | 90.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.4 | -25.5 | -177.1 | -68.7 | -59.1 | 123.9 | 0 | 0 | 113.3 | V270 I277 L278 M296 F297 K302 V303 I307 M310 | V270-M300 HydrophobicContact CG1-CE 3.4Å; I277-M300 HydrophobicContact CB-CE 4.08Å; I277-M300 HydrophobicContact CD1-CE 3.83Å; I277-M300 HydrophobicContact CG2-CE 3.81Å; L278-M300 HydrophobicContact CD2-CG 4.27Å; L278-M300 HydrophobicContact CD2-SD 4.2Å; L278-M300 HydrophobicContact CG-SD 4.33Å; M296-M300 HydrophobicContact CG-CG 4.28Å; M296-M300 WeakPolarHBondContact O-CB 3.47Å; M296-M300 VanDerWaalsContact O-CG 3.27Å; M296-M300 WeakPolarHBondContact O-CG 3.41Å; M296-M300 PolarHBondContact O-N 3.37Å; F297-M300 PolarHBondContact O-N 2.96Å; M300-K302 PolarHBondContact O-N 3.33Å; M300-V303 PolarHBondContact O-N 2.86Å; M300-V303 VanDerWaalsContact O-N 3.09Å; M300-V303 VanDerWaalsContact O-O 3.09Å; M300-I307 HydrophobicContact CB-CG1 4.38Å; M300-M310 HydrophobicContact CB-SD 3.75Å; M300-M310 HydrophobicContact CG-SD 3.71Å |
| 301 | D | 90.3 | Very high | 88.8 | Confident | 79 Ų | 79 | 44.8 Ų | 44.8 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.1 | -25.3 | 174.3 | -169.5 | 59.2 | 0 | 0 | 0 | 112.4 | F297 V303 I307 R364 | F297-D301 HydrophobicContact CE2-CB 4.36Å; F297-D301 VanDerWaalsContact O-CB 3.32Å; F297-D301 WeakPolarHBondContact O-CB 3.06Å; F297-D301 PolarHBondContact O-N 3.24Å; D301-V303 VanDerWaalsContact C-N 3.3Å; D301-I307 HydrophobicContact CB-CD1 3.74Å; D301-I307 HydrophobicContact CB-CG1 4.43Å; D301-I307 WeakPolarHBondContact OD1-CD1 3.48Å; D301-R364 IonicContact OD1-CZ 3.61Å; D301-R364 IonicContact OD1-NH1 3.42Å; D301-R364 PolarHBondContact OD1-NH1 3.49Å; D301-R364 IonicContact OD1-NH2 3.28Å; D301-R364 PolarHBondContact OD1-NH2 2.9Å |
| 302 | K | 86.6 | Confident | 88.8 | Confident | 95 Ų | 95 | 42.6 Ų | 42.6 | 41% | 0.413 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.1 | 172.9 | -61.7 | 170.8 | -174.8 | -89.4 | 0 | 113 | L238 V266 L299 M300 | L238-K302 HydrophobicContact CD1-CD 4.39Å; V266-K302 HydrophobicContact CG1-CB 4.1Å; V266-K302 HydrophobicContact CG2-CB 4.01Å; V266-K302 HydrophobicContact CG2-CD 4.2Å; L299-K302 PolarHBondContact O-N 3.4Å; M300-K302 PolarHBondContact O-N 3.33Å |
| 303 | V | 87.2 | Confident | 88.9 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -100.1 | 128.6 | -177.7 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | V266 V270 T271 M300 D301 S305 G306 | V266-V303 HydrophobicContact CG1-CG2 3.7Å; V270-V303 HydrophobicContact CB-CG2 3.98Å; V270-V303 HydrophobicContact CG1-CG2 3.59Å; T271-V303 HydrophobicContact CG2-CG1 4.3Å; M300-V303 PolarHBondContact O-N 2.86Å; M300-V303 VanDerWaalsContact O-N 3.09Å; M300-V303 VanDerWaalsContact O-O 3.09Å; D301-V303 VanDerWaalsContact C-N 3.3Å; V303-S305 PolarHBondContact O-N 3.5Å; V303-G306 PolarHBondContact O-N 3.05Å |
| 304 | P | 82.1 | Confident | 88.8 | Confident | 107 Ų | 107 | 41.3 Ų | 41.3 | 70% | 0.695 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 125.5 | 173.2 | -24.2 | 33.6 | 0 | 0 | 0 | 111.3 | G306 | P304-G306 PolarHBondContact O-N 2.98Å; P304-G306 VanDerWaalsContact O-N 3.15Å |
| 305 | S | 80.6 | Confident | 88.7 | Confident | 78 Ų | 78 | 39.8 Ų | 39.8 | 55% | 0.545 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 18.8 | -175.8 | -62.6 | 0 | 0 | 0 | 0 | 115.5 | V303 I307 E308 P309 | V303-S305 PolarHBondContact O-N 3.5Å; S305-I307 VanDerWaalsContact C-N 3.29Å; S305-I307 PolarHBondContact O-N 3.28Å; S305-E308 WeakPolarHBondContact CB-OE1 3.24Å; S305-E308 PolarHBondContact OG-OE1 3.37Å; S305-P309 WeakPolarHBondContact O-CD 3.36Å |
| 306 | G | 84 | Confident | 88.6 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -69.1 | -25.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V303 P304 P309 | V303-G306 PolarHBondContact O-N 3.05Å; P304-G306 PolarHBondContact O-N 2.98Å; P304-G306 VanDerWaalsContact O-N 3.15Å; G306-P309 WeakPolarHBondContact O-CD 3.24Å |
| 307 | I | 88.8 | Confident | 88.5 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -86.8 | -26.3 | -174.8 | -58.8 | 168 | 0 | 0 | 0 | 112.6 | F297 M300 D301 S305 M310 L311 R364 F365 | F297-I307 HydrophobicContact CE2-CD1 4.09Å; M300-I307 HydrophobicContact CB-CG1 4.38Å; D301-I307 HydrophobicContact CB-CD1 3.74Å; D301-I307 HydrophobicContact CB-CG1 4.43Å; D301-I307 WeakPolarHBondContact OD1-CD1 3.48Å; S305-I307 VanDerWaalsContact C-N 3.29Å; S305-I307 PolarHBondContact O-N 3.28Å; I307-M310 WeakPolarHBondContact O-CB 3.21Å; I307-M310 PolarHBondContact O-N 2.94Å; I307-L311 HydrophobicContact CG2-CD1 4.13Å; I307-L311 HydrophobicContact CG2-CD2 4.43Å; I307-L311 HydrophobicContact CG2-CG 3.95Å; I307-L311 WeakPolarHBondContact O-CG 3.31Å; I307-L311 PolarHBondContact O-N 2.85Å; I307-R364 VanDerWaalsContact CD1-CZ 3.42Å; I307-F365 HydrophobicContact CG2-CE2 3.59Å; I307-F365 HydrophobicContact CG2-CZ 3.7Å |
| 308 | E | 89.1 | Confident | 88.4 | Confident | 123 Ų | 123 | 43.5 Ų | 43.5 | 58% | 0.575 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -55.4 | -43.1 | -177 | -64.1 | 170.6 | -152.4 | 0 | 0 | 113.2 | S305 L311 K312 | S305-E308 WeakPolarHBondContact CB-OE1 3.24Å; S305-E308 PolarHBondContact OG-OE1 3.37Å; E308-L311 PolarHBondContact O-N 3.34Å; E308-K312 PolarHBondContact O-N 3.49Å; E308-K312 VanDerWaalsContact O-N 3.14Å |
| 309 | P | 89.4 | Confident | 88.2 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 31% | 0.305 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65 | -38.5 | 174.9 | -22.1 | 36.3 | 0 | 0 | 0 | 112.6 | L278 S305 G306 L311 K312 D313 | L278-P309 HydrophobicContact CD1-CB 3.93Å; L278-P309 HydrophobicContact CD1-CG 3.8Å; L278-P309 HydrophobicContact CD2-CB 4.2Å; S305-P309 WeakPolarHBondContact O-CD 3.36Å; G306-P309 WeakPolarHBondContact O-CD 3.24Å; P309-L311 VanDerWaalsContact C-N 3.32Å; P309-L311 PolarHBondContact O-N 3.06Å; P309-K312 WeakPolarHBondContact O-CB 3.45Å; P309-K312 PolarHBondContact O-N 3.31Å; P309-K312 VanDerWaalsContact O-N 3.16Å; P309-D313 VanDerWaalsContact O-CG 3.3Å; P309-D313 PolarHBondContact O-N 2.89Å |
| 310 | M | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 177.3 | -62.9 | -178.8 | 56 | 0 | 0 | 112.1 | L278 M296 F297 M300 I307 K312 L314 F359 F365 | L278-M310 HydrophobicContact CD2-CG 3.58Å; L278-M310 HydrophobicContact CD2-SD 4.38Å; M296-M310 HydrophobicContact CE-CE 3.39Å; M296-M310 HydrophobicContact CE-CG 4.21Å; M296-M310 HydrophobicContact CE-SD 3.96Å; M296-M310 HydrophobicContact CG-CE 4.3Å; M296-M310 HydrophobicContact CG-SD 4.2Å; F297-M310 HydrophobicContact CB-CE 4.09Å; M300-M310 HydrophobicContact CB-SD 3.75Å; M300-M310 HydrophobicContact CG-SD 3.71Å; I307-M310 WeakPolarHBondContact O-CB 3.21Å; I307-M310 PolarHBondContact O-N 2.94Å; M310-K312 VanDerWaalsContact C-N 3.35Å; M310-L314 WeakPolarHBondContact O-CB 3.33Å; M310-L314 PolarHBondContact O-N 2.55Å; M310-F359 HydrophobicContact CE-CD1 4.48Å; M310-F359 HydrophobicContact CE-CE1 3.59Å; M310-F359 HydrophobicContact CE-CZ 4.32Å; M310-F365 HydrophobicContact CB-CE1 4.18Å; M310-F365 HydrophobicContact CB-CZ 4.04Å; M310-F365 HydrophobicContact CE-CZ 4.15Å |
| 311 | L | 90.4 | Very high | 87.8 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 174 | -65.7 | 169.8 | 0 | 0 | 0 | 110.5 | I307 E308 P309 L314 E315 R364 F365 A368 | I307-L311 HydrophobicContact CG2-CD1 4.13Å; I307-L311 HydrophobicContact CG2-CD2 4.43Å; I307-L311 HydrophobicContact CG2-CG 3.95Å; I307-L311 WeakPolarHBondContact O-CG 3.31Å; I307-L311 PolarHBondContact O-N 2.85Å; E308-L311 PolarHBondContact O-N 3.34Å; P309-L311 VanDerWaalsContact C-N 3.32Å; P309-L311 PolarHBondContact O-N 3.06Å; L311-L314 PolarHBondContact O-N 3.04Å; L311-E315 WeakPolarHBondContact O-CB 3.28Å; L311-E315 WeakPolarHBondContact O-CG 3.36Å; L311-E315 PolarHBondContact O-N 2.78Å; L311-R364 HydrophobicContact CD1-CB 4.15Å; L311-R364 HydrophobicContact CD2-CB 4.07Å; L311-F365 HydrophobicContact CD2-CB 4.3Å; L311-F365 HydrophobicContact CD2-CD1 3.6Å; L311-F365 HydrophobicContact CD2-CD2 3.88Å; L311-F365 HydrophobicContact CD2-CE1 3.79Å; L311-F365 HydrophobicContact CD2-CE2 4.06Å; L311-F365 HydrophobicContact CD2-CG 3.67Å; L311-F365 HydrophobicContact CD2-CZ 4.02Å; L311-F365 HydrophobicContact CG-CE1 4.44Å; L311-F365 HydrophobicContact CG-CZ 4.5Å; L311-A368 HydrophobicContact CB-CB 4.38Å; L311-A368 HydrophobicContact CD2-CB 3.9Å |
| 312 | K | 90 | Very high | 87.4 | Confident | 118 Ų | 118 | 45.5 Ų | 45.5 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 178.4 | -171.6 | -178.9 | 171.4 | -170.7 | 0 | 112.1 | E308 P309 M310 L314 E315 E316 | E308-K312 PolarHBondContact O-N 3.49Å; E308-K312 VanDerWaalsContact O-N 3.14Å; P309-K312 WeakPolarHBondContact O-CB 3.45Å; P309-K312 PolarHBondContact O-N 3.31Å; P309-K312 VanDerWaalsContact O-N 3.16Å; M310-K312 VanDerWaalsContact C-N 3.35Å; K312-L314 VanDerWaalsContact C-N 3.34Å; K312-L314 PolarHBondContact O-N 3.47Å; K312-E315 WeakPolarHBondContact O-CB 3.35Å; K312-E315 PolarHBondContact O-N 2.82Å; K312-E316 WeakPolarHBondContact CE-OE1 3Å; K312-E316 IonicContact NZ-OE1 2.89Å; K312-E316 WeakPolarHBondContact O-CG 3.32Å; K312-E316 PolarHBondContact O-N 3.27Å |
| 313 | D | 89.4 | Confident | 87.1 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 178 | -69.1 | -22.9 | 0 | 0 | 0 | 112 | C281 P282 I285 P309 H317 | C281-D313 PolarHBondContact SG-OD2 3.05Å; P282-D313 HydrophobicContact CG-CB 4.27Å; I285-D313 HydrophobicContact CD1-CB 4.07Å; P309-D313 VanDerWaalsContact O-CG 3.3Å; P309-D313 PolarHBondContact O-N 2.89Å; D313-H317 VanDerWaalsContact O-CB 3.26Å; D313-H317 WeakPolarHBondContact O-CB 3.23Å; D313-H317 PolarHBondContact O-N 3.43Å |
| 314 | L | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 174 | -178.4 | 68.2 | 0 | 0 | 0 | 111.1 | I285 M310 L311 K312 H317 I318 L354 V355 F359 F365 | I285-L314 HydrophobicContact CD1-CB 4.19Å; I285-L314 HydrophobicContact CD1-CD1 4.48Å; I285-L314 HydrophobicContact CG2-CD1 4.17Å; M310-L314 WeakPolarHBondContact O-CB 3.33Å; M310-L314 PolarHBondContact O-N 2.55Å; L311-L314 PolarHBondContact O-N 3.04Å; K312-L314 VanDerWaalsContact C-N 3.34Å; K312-L314 PolarHBondContact O-N 3.47Å; L314-H317 PolarHBondContact O-N 3.12Å; L314-I318 HydrophobicContact CD1-CD1 3.92Å; L314-I318 HydrophobicContact CD1-CG1 4.16Å; L314-I318 HydrophobicContact CD2-CD1 4.3Å; L314-I318 HydrophobicContact CG-CD1 3.73Å; L314-I318 HydrophobicContact CG-CG1 4.35Å; L314-I318 WeakPolarHBondContact O-CB 3.36Å; L314-I318 VanDerWaalsContact O-CG1 3.22Å; L314-I318 WeakPolarHBondContact O-CG1 3.38Å; L314-I318 PolarHBondContact O-N 2.85Å; L314-L354 HydrophobicContact CD1-CD2 3.93Å; L314-V355 HydrophobicContact CD2-CG2 3.94Å; L314-F359 HydrophobicContact CD2-CE2 4.13Å; L314-F365 HydrophobicContact CD2-CD1 3.72Å |
| 315 | E | 90.2 | Very high | 86.6 | Confident | 25 Ų | 25 | 42.4 Ų | 42.4 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.2 | -52.3 | 176.8 | -74 | 165.2 | -159.1 | 0 | 0 | 111 | L311 K312 H317 I318 I319 A368 K372 | L311-E315 WeakPolarHBondContact O-CB 3.28Å; L311-E315 WeakPolarHBondContact O-CG 3.36Å; L311-E315 PolarHBondContact O-N 2.78Å; K312-E315 WeakPolarHBondContact O-CB 3.35Å; K312-E315 PolarHBondContact O-N 2.82Å; E315-H317 PolarHBondContact O-N 3.14Å; E315-I318 PolarHBondContact O-N 3.36Å; E315-I319 WeakPolarHBondContact O-CD1 3.45Å; E315-I319 VanDerWaalsContact O-CG1 3.23Å; E315-I319 WeakPolarHBondContact O-CG1 3.19Å; E315-I319 PolarHBondContact O-N 2.89Å; E315-A368 HydrophobicContact CG-CB 3.82Å; E315-A368 WeakPolarHBondContact OE1-CB 3.15Å; E315-K372 VanDerWaalsContact CD-NZ 3.33Å; E315-K372 HydrophobicContact CG-CB 4.25Å; E315-K372 HydrophobicContact CG-CD 4.28Å; E315-K372 WeakPolarHBondContact OE1-CD 3.17Å; E315-K372 IonicContact OE1-NZ 2.79Å; E315-K372 PolarHBondContact OE1-NZ 2.89Å; E315-K372 WeakPolarHBondContact OE2-CD 3.14Å; E315-K372 IonicContact OE2-NZ 2.7Å; E315-K372 PolarHBondContact OE2-NZ 3.4Å |
| 316 | E | 89.4 | Confident | 86.2 | Confident | 89 Ų | 89 | 39 Ų | 39 | 42% | 0.416 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 179.5 | -73 | -177.3 | -172.3 | 0 | 0 | 112 | K312 I319 N320 | K312-E316 WeakPolarHBondContact CE-OE1 3Å; K312-E316 IonicContact NZ-OE1 2.89Å; K312-E316 WeakPolarHBondContact O-CG 3.32Å; K312-E316 PolarHBondContact O-N 3.27Å; E316-I319 PolarHBondContact O-N 3.1Å; E316-N320 VanDerWaalsContact O-CB 3.26Å; E316-N320 WeakPolarHBondContact O-CB 3.26Å; E316-N320 PolarHBondContact O-N 3.43Å; E316-N320 PolarHBondContact O-ND2 2.87Å |
| 317 | H | 89.3 | Confident | 85.7 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 177.8 | 179.1 | 64.3 | 0 | 0 | 0 | 112.2 | I285 K286 D313 L314 E315 I319 N320 A321 F351 | I285-H317 HydrophobicContact CG2-CB 3.86Å; I285-H317 WeakPolarHBondContact CG2-CD2 3.14Å; K286-H317 VanDerWaalsContact CG-CE1 3.47Å; K286-H317 WeakPolarHBondContact CG-CE1 3.26Å; K286-H317 WeakPolarHBondContact CG-ND1 3.24Å; D313-H317 VanDerWaalsContact O-CB 3.26Å; D313-H317 WeakPolarHBondContact O-CB 3.23Å; D313-H317 PolarHBondContact O-N 3.43Å; L314-H317 PolarHBondContact O-N 3.12Å; E315-H317 PolarHBondContact O-N 3.14Å; H317-I319 VanDerWaalsContact C-N 3.34Å; H317-I319 PolarHBondContact O-N 3.16Å; H317-N320 PolarHBondContact O-N 3.32Å; H317-A321 WeakPolarHBondContact O-CB 3.48Å; H317-A321 PolarHBondContact O-N 3.4Å; H317-F351 AromaticContact CD2-CE1 3.45Å; H317-F351 VanDerWaalsContact CD2-CE1 3.45Å; H317-F351 WeakPolarHBondContact CD2-CE1 3.09Å; H317-F351 AromaticContact CD2-CZ 3.74Å; H317-F351 AromaticContact NE2-CE1 3.57Å; H317-F351 AromaticContact NE2-CZ 3.73Å |
| 318 | I | 87.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 178.5 | -67.1 | 168.4 | 0 | 0 | 0 | 110.4 | L314 E315 G322 F351 R369 A373 | L314-I318 HydrophobicContact CD1-CD1 3.92Å; L314-I318 HydrophobicContact CD1-CG1 4.16Å; L314-I318 HydrophobicContact CD2-CD1 4.3Å; L314-I318 HydrophobicContact CG-CD1 3.73Å; L314-I318 HydrophobicContact CG-CG1 4.35Å; L314-I318 WeakPolarHBondContact O-CB 3.36Å; L314-I318 VanDerWaalsContact O-CG1 3.22Å; L314-I318 WeakPolarHBondContact O-CG1 3.38Å; L314-I318 PolarHBondContact O-N 2.85Å; E315-I318 PolarHBondContact O-N 3.36Å; I318-G322 PolarHBondContact O-N 3.33Å; I318-F351 HydrophobicContact CB-CD2 4.23Å; I318-F351 HydrophobicContact CB-CE2 4.08Å; I318-F351 HydrophobicContact CB-CZ 4.4Å; I318-F351 HydrophobicContact CD1-CB 4.25Å; I318-F351 HydrophobicContact CD1-CD1 4.44Å; I318-F351 HydrophobicContact CD1-CG 4.2Å; I318-F351 HydrophobicContact CG1-CB 4.28Å; I318-F351 HydrophobicContact CG1-CD1 3.75Å; I318-F351 HydrophobicContact CG1-CD2 3.77Å; I318-F351 HydrophobicContact CG1-CE1 3.94Å; I318-F351 HydrophobicContact CG1-CE2 3.89Å; I318-F351 HydrophobicContact CG1-CG 3.68Å; I318-F351 HydrophobicContact CG1-CZ 4Å; I318-F351 HydrophobicContact CG2-CD2 3.87Å; I318-F351 HydrophobicContact CG2-CE2 3.97Å; I318-R369 HydrophobicContact CD1-CB 4.15Å; I318-R369 HydrophobicContact CD1-CG 3.98Å; I318-A373 HydrophobicContact CB-CB 3.69Å; I318-A373 HydrophobicContact CD1-CB 4.1Å; I318-A373 HydrophobicContact CG2-CB 3.57Å |
| 319 | I | 86.5 | Confident | 83.8 | Confident | 44 Ų | 44 | 42 Ų | 42 | 23% | 0.226 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -52 | 178.5 | -66.9 | 166.4 | 0 | 0 | 0 | 110.3 | E315 E316 H317 A321 G322 L323 A373 A376 V377 | E315-I319 WeakPolarHBondContact O-CD1 3.45Å; E315-I319 VanDerWaalsContact O-CG1 3.23Å; E315-I319 WeakPolarHBondContact O-CG1 3.19Å; E315-I319 PolarHBondContact O-N 2.89Å; E316-I319 PolarHBondContact O-N 3.1Å; H317-I319 VanDerWaalsContact C-N 3.34Å; H317-I319 PolarHBondContact O-N 3.16Å; I319-A321 PolarHBondContact O-N 2.95Å; I319-G322 PolarHBondContact O-N 3.32Å; I319-L323 HydrophobicContact CG2-CD1 3.79Å; I319-L323 HydrophobicContact CG2-CG 4.33Å; I319-L323 WeakPolarHBondContact O-CB 3.22Å; I319-L323 VanDerWaalsContact O-CG 3.27Å; I319-L323 WeakPolarHBondContact O-CG 3.4Å; I319-L323 PolarHBondContact O-N 2.9Å; I319-A373 HydrophobicContact CG1-CB 4.07Å; I319-A376 HydrophobicContact CD1-CB 3.91Å; I319-A376 HydrophobicContact CG1-CB 4.06Å; I319-V377 HydrophobicContact CB-CG2 4.49Å; I319-V377 HydrophobicContact CG1-CG2 4.39Å |
| 320 | N | 87.4 | Confident | 82.5 | Confident | 101 Ų | 101 | 41 Ų | 41 | 54% | 0.54 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.7 | -42.5 | -177.6 | -71.9 | -35.1 | 0 | 0 | 0 | 112.2 | E316 H317 A324 | E316-N320 VanDerWaalsContact O-CB 3.26Å; E316-N320 WeakPolarHBondContact O-CB 3.26Å; E316-N320 PolarHBondContact O-N 3.43Å; E316-N320 PolarHBondContact O-ND2 2.87Å; H317-N320 PolarHBondContact O-N 3.32Å; N320-A324 VanDerWaalsContact O-CB 3.24Å; N320-A324 WeakPolarHBondContact O-CB 3.3Å; N320-A324 PolarHBondContact O-N 3.03Å |
| 321 | A | 85.5 | Confident | 81 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | H317 I319 A324 D325 F351 | H317-A321 WeakPolarHBondContact O-CB 3.48Å; H317-A321 PolarHBondContact O-N 3.4Å; I319-A321 PolarHBondContact O-N 2.95Å; A321-A324 PolarHBondContact O-N 2.78Å; A321-D325 WeakPolarHBondContact O-CB 3.49Å; A321-D325 PolarHBondContact O-N 3.3Å; A321-F351 HydrophobicContact CB-CE2 4.28Å; A321-F351 HydrophobicContact CB-CZ 3.86Å |
| 322 | G | 81.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I318 I319 D325 M326 L347 | I318-G322 PolarHBondContact O-N 3.33Å; I319-G322 PolarHBondContact O-N 3.32Å; G322-D325 PolarHBondContact O-N 2.82Å; G322-M326 WeakPolarHBondContact O-CB 3.27Å; G322-M326 WeakPolarHBondContact O-CG 3.45Å; G322-M326 PolarHBondContact O-N 3.21Å; G322-L347 VanDerWaalsContact CA-CD2 3.46Å |
| 323 | L | 80.1 | Confident | 78.1 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.7 | -66.6 | 176.4 | 0 | 0 | 0 | 111.7 | I319 M326 V327 D380 I383 | I319-L323 HydrophobicContact CG2-CD1 3.79Å; I319-L323 HydrophobicContact CG2-CG 4.33Å; I319-L323 WeakPolarHBondContact O-CB 3.22Å; I319-L323 VanDerWaalsContact O-CG 3.27Å; I319-L323 WeakPolarHBondContact O-CG 3.4Å; I319-L323 PolarHBondContact O-N 2.9Å; L323-M326 PolarHBondContact O-N 2.8Å; L323-V327 WeakPolarHBondContact O-CB 3.22Å; L323-V327 VanDerWaalsContact O-CG2 3.3Å; L323-V327 WeakPolarHBondContact O-CG2 3.45Å; L323-V327 PolarHBondContact O-N 3.42Å; L323-D380 HydrophobicContact CD2-CB 3.76Å; L323-I383 HydrophobicContact CB-CD1 4.21Å; L323-I383 HydrophobicContact CD2-CD1 3.71Å; L323-I383 WeakPolarHBondContact O-CD1 3.42Å |
| 324 | A | 81.6 | Confident | 76.5 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N320 A321 M326 V327 A328 | N320-A324 VanDerWaalsContact O-CB 3.24Å; N320-A324 WeakPolarHBondContact O-CB 3.3Å; N320-A324 PolarHBondContact O-N 3.03Å; A321-A324 PolarHBondContact O-N 2.78Å; A324-M326 VanDerWaalsContact C-N 3.29Å; A324-M326 PolarHBondContact O-N 3.06Å; A324-V327 PolarHBondContact O-N 3.25Å; A324-A328 WeakPolarHBondContact O-CB 3.43Å; A324-A328 PolarHBondContact O-N 3.19Å |
| 325 | D | 77.6 | Confident | 75 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 177.2 | -70.3 | -20.2 | 0 | 0 | 0 | 110.4 | A321 G322 A329 R350 | A321-D325 WeakPolarHBondContact O-CB 3.49Å; A321-D325 PolarHBondContact O-N 3.3Å; G322-D325 PolarHBondContact O-N 2.82Å; D325-A329 PolarHBondContact O-N 3.22Å; D325-R350 IonicContact OD2-CZ 3.61Å; D325-R350 IonicContact OD2-NH1 3.91Å; D325-R350 PolarHBondContact OD2-NH1 3.22Å; D325-R350 IonicContact OD2-NH2 2.83Å; D325-R350 PolarHBondContact OD2-NH2 2.93Å |
| 326 | M | 71.9 | Confident | 74 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 176.8 | -71.6 | 171 | 84.2 | 0 | 0 | 113.6 | G322 L323 A324 A330 Y340 L344 V377 I383 F384 | G322-M326 WeakPolarHBondContact O-CB 3.27Å; G322-M326 WeakPolarHBondContact O-CG 3.45Å; G322-M326 PolarHBondContact O-N 3.21Å; L323-M326 PolarHBondContact O-N 2.8Å; A324-M326 VanDerWaalsContact C-N 3.29Å; A324-M326 PolarHBondContact O-N 3.06Å; M326-A330 PolarHBondContact O-N 3.29Å; M326-Y340 HydrophobicContact CE-CE2 3.47Å; M326-Y340 VanDerWaalsContact CE-CE2 3.47Å; M326-Y340 WeakPolarHBondContact CE-OH 3.5Å; M326-L344 HydrophobicContact CE-CD2 4.36Å; M326-L344 HydrophobicContact SD-CD2 4.12Å; M326-V377 HydrophobicContact SD-CG1 3.49Å; M326-V377 WeakPolarHBondContact SD-CG1 3.44Å; M326-I383 HydrophobicContact CB-CD1 3.55Å; M326-F384 HydrophobicContact CB-CE2 4.28Å; M326-F384 HydrophobicContact CE-CD2 3.94Å; M326-F384 HydrophobicContact CE-CE2 4.05Å |
| 327 | V | 73.3 | Confident | 73 | Confident | 89 Ų | 89 | 51.7 Ų | 51.7 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66 | -46 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | L323 A324 A329 A330 I383 | L323-V327 WeakPolarHBondContact O-CB 3.22Å; L323-V327 VanDerWaalsContact O-CG2 3.3Å; L323-V327 WeakPolarHBondContact O-CG2 3.45Å; L323-V327 PolarHBondContact O-N 3.42Å; A324-V327 PolarHBondContact O-N 3.25Å; V327-A329 PolarHBondContact O-N 3.08Å; V327-A330 VanDerWaalsContact O-CB 3.22Å; V327-A330 WeakPolarHBondContact O-CB 3.36Å; V327-A330 PolarHBondContact O-N 2.93Å; V327-A330 VanDerWaalsContact O-N 3.08Å; V327-I383 HydrophobicContact CG2-CD1 3.58Å; V327-I383 HydrophobicContact CG2-CG1 3.79Å; V327-I383 HydrophobicContact CG2-CG2 4.45Å |
| 328 | A | 72 | Confident | 72.4 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 75% | 0.752 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.5 | -31.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | A324 | A324-A328 WeakPolarHBondContact O-CB 3.43Å; A324-A328 PolarHBondContact O-N 3.19Å |
| 329 | A | 67.2 | Low | 71.9 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 3.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | D325 V327 E331 T332 I333 | D325-A329 PolarHBondContact O-N 3.22Å; V327-A329 PolarHBondContact O-N 3.08Å; A329-E331 PolarHBondContact O-N 2.96Å; A329-T332 PolarHBondContact O-N 3.29Å; A329-T332 VanDerWaalsContact O-N 3.08Å; A329-I333 HydrophobicContact CB-CD1 3.29Å; A329-I333 HydrophobicContact CB-CG1 3.94Å; A329-I333 WeakPolarHBondContact O-CB 3.34Å; A329-I333 WeakPolarHBondContact O-CD1 3.43Å; A329-I333 WeakPolarHBondContact O-CG1 3.12Å; A329-I333 PolarHBondContact O-N 3.45Å |
| 330 | A | 62 | Low | 71.5 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.9 | -40.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | M326 V327 T332 I333 T334 I383 F384 | M326-A330 PolarHBondContact O-N 3.29Å; V327-A330 VanDerWaalsContact O-CB 3.22Å; V327-A330 WeakPolarHBondContact O-CB 3.36Å; V327-A330 PolarHBondContact O-N 2.93Å; V327-A330 VanDerWaalsContact O-N 3.08Å; A330-T332 VanDerWaalsContact C-N 3.32Å; A330-T332 PolarHBondContact O-N 2.87Å; A330-I333 PolarHBondContact O-N 3.45Å; A330-T334 WeakPolarHBondContact O-CG2 3.15Å; A330-T334 PolarHBondContact O-N 3.42Å; A330-T334 VanDerWaalsContact O-N 3.14Å; A330-T334 PolarHBondContact O-OG1 3.09Å; A330-I383 HydrophobicContact CB-CG2 4.39Å; A330-F384 HydrophobicContact CB-CE1 4.34Å; A330-F384 HydrophobicContact CB-CZ 4.17Å |
| 331 | E | 59.3 | Low | 71.1 | Confident | 178 Ų | 178 | 50.3 Ų | 50.3 | 83% | 0.832 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.5 | -34.5 | 178.6 | -67.5 | -171 | 167 | 0 | 0 | 112.6 | A329 T334 | A329-E331 PolarHBondContact O-N 2.96Å; E331-T334 PolarHBondContact O-OG1 3.46Å |
| 332 | T | 61.5 | Low | 71 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -83.1 | -37.3 | 178.9 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | A329 A330 T335 D336 K339 | A329-T332 PolarHBondContact O-N 3.29Å; A329-T332 VanDerWaalsContact O-N 3.08Å; A330-T332 VanDerWaalsContact C-N 3.32Å; A330-T332 PolarHBondContact O-N 2.87Å; T332-T335 PolarHBondContact O-N 3.46Å; T332-T335 PolarHBondContact O-OG1 3.44Å; T332-D336 WeakPolarHBondContact O-CB 3.32Å; T332-D336 PolarHBondContact O-N 2.89Å; T332-K339 HydrophobicContact CG2-CD 3.45Å; T332-K339 VanDerWaalsContact CG2-CD 3.45Å; T332-K339 VanDerWaalsContact CG2-NZ 3.33Å |
| 333 | I | 57.5 | Low | 71 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.6 | -36.9 | -177.7 | -76.1 | 163.6 | 0 | 0 | 0 | 112.8 | A329 A330 T335 D336 Y340 F384 | A329-I333 HydrophobicContact CB-CD1 3.29Å; A329-I333 HydrophobicContact CB-CG1 3.94Å; A329-I333 WeakPolarHBondContact O-CB 3.34Å; A329-I333 WeakPolarHBondContact O-CD1 3.43Å; A329-I333 WeakPolarHBondContact O-CG1 3.12Å; A329-I333 PolarHBondContact O-N 3.45Å; A330-I333 PolarHBondContact O-N 3.45Å; I333-T335 PolarHBondContact O-N 2.96Å; I333-D336 CarbonylContact O-C 3.47Å; I333-D336 PolarHBondContact O-N 3.11Å; I333-D336 VanDerWaalsContact O-N 3.1Å; I333-Y340 HydrophobicContact CB-CD2 4.48Å; I333-Y340 HydrophobicContact CD1-CD2 3.96Å; I333-Y340 HydrophobicContact CG1-CD2 4.24Å; I333-Y340 HydrophobicContact CG2-CD2 3.47Å; I333-Y340 VanDerWaalsContact CG2-CD2 3.47Å; I333-Y340 HydrophobicContact CG2-CE2 4.35Å; I333-Y340 HydrophobicContact CG2-CG 3.88Å; I333-F384 HydrophobicContact CB-CE1 3.95Å; I333-F384 HydrophobicContact CB-CZ 3.69Å; I333-F384 HydrophobicContact CD1-CE2 4.24Å; I333-F384 HydrophobicContact CD1-CZ 3.82Å; I333-F384 HydrophobicContact CG1-CZ 4.36Å; I333-F384 HydrophobicContact CG2-CD1 4.08Å; I333-F384 HydrophobicContact CG2-CE1 3.3Å; I333-F384 HydrophobicContact CG2-CE2 3.89Å; I333-F384 HydrophobicContact CG2-CZ 3.19Å |
| 334 | T | 55.5 | Low | 71.1 | Confident | 93 Ų | 93 | 55 Ų | 55 | 57% | 0.571 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.1 | -179 | 44.8 | 0 | 0 | 0 | 0 | 112.9 | A330 E331 F384 | A330-T334 WeakPolarHBondContact O-CG2 3.15Å; A330-T334 PolarHBondContact O-N 3.42Å; A330-T334 VanDerWaalsContact O-N 3.14Å; A330-T334 PolarHBondContact O-OG1 3.09Å; E331-T334 PolarHBondContact O-OG1 3.46Å; T334-F384 HydrophobicContact CG2-CD1 4.44Å; T334-F384 HydrophobicContact CG2-CE1 4.16Å |
| 335 | T | 57.7 | Low | 71.2 | Confident | 125 Ų | 125 | 53 Ų | 53 | 77% | 0.767 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -17.8 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | T332 I333 | T332-T335 PolarHBondContact O-N 3.46Å; T332-T335 PolarHBondContact O-OG1 3.44Å; I333-T335 PolarHBondContact O-N 2.96Å |
| 336 | D | 69.6 | Low | 71.6 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | trans | -134.8 | 96.1 | -167.8 | -166.7 | -7.5 | 0 | 0 | 0 | 112 | T332 I333 E338 K339 | T332-D336 WeakPolarHBondContact O-CB 3.32Å; T332-D336 PolarHBondContact O-N 2.89Å; I333-D336 CarbonylContact O-C 3.47Å; I333-D336 PolarHBondContact O-N 3.11Å; I333-D336 VanDerWaalsContact O-N 3.1Å; D336-E338 PolarHBondContact O-N 3.42Å; D336-E338 WeakPolarHBondContact OD1-CB 3.26Å; D336-E338 PolarHBondContact OD1-N 3.43Å; D336-K339 HydrophobicContact CB-CD 4.37Å; D336-K339 VanDerWaalsContact OD2-CD 3.31Å; D336-K339 WeakPolarHBondContact OD2-CD 3.35Å; D336-K339 VanDerWaalsContact OD2-CE 3.29Å; D336-K339 WeakPolarHBondContact OD2-CE 3.37Å; D336-K339 WeakPolarHBondContact OD2-CG 3.49Å; D336-K339 IonicContact OD2-NZ 3.21Å | ||
| 337 | S | 69.3 | Low | 72.3 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.1 | -22.7 | 178.9 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | V341 M415 | S337-V341 WeakPolarHBondContact O-CG2 3.34Å; S337-V341 PolarHBondContact O-N 3.48Å; S337-M415 PolarHBondContact OG-SD 3.14Å; S337-M415 VanDerWaalsContact OG-SD 3.34Å |
| 338 | E | 75.9 | Confident | 72.9 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -54.2 | 177.6 | 169.5 | 179.8 | 177 | 0 | 0 | 110.5 | D336 Y340 V341 E342 Y412 M415 L422 | D336-E338 PolarHBondContact O-N 3.42Å; D336-E338 WeakPolarHBondContact OD1-CB 3.26Å; D336-E338 PolarHBondContact OD1-N 3.43Å; E338-Y340 PolarHBondContact O-N 2.96Å; E338-V341 PolarHBondContact O-N 3.41Å; E338-V341 VanDerWaalsContact O-N 3.16Å; E338-E342 WeakPolarHBondContact O-CG 3.43Å; E338-E342 PolarHBondContact O-N 2.95Å; E338-Y412 HydrophobicContact CB-CD2 4.04Å; E338-Y412 HydrophobicContact CB-CE2 3.85Å; E338-Y412 HydrophobicContact CG-CE2 3.91Å; E338-M415 HydrophobicContact CB-CE 4.33Å; E338-L422 HydrophobicContact CG-CD2 4.26Å; E338-L422 WeakPolarHBondContact OE1-CD1 3.32Å; E338-L422 WeakPolarHBondContact OE2-CD2 3.39Å |
| 339 | K | 77.4 | Confident | 73.6 | Confident | 99 Ų | 99 | 50.3 Ų | 50.3 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -35.3 | 179.8 | -71.6 | 178.3 | -177.2 | 179.4 | 0 | 112.8 | T332 D336 Q343 | T332-K339 HydrophobicContact CG2-CD 3.45Å; T332-K339 VanDerWaalsContact CG2-CD 3.45Å; T332-K339 VanDerWaalsContact CG2-NZ 3.33Å; D336-K339 HydrophobicContact CB-CD 4.37Å; D336-K339 VanDerWaalsContact OD2-CD 3.31Å; D336-K339 WeakPolarHBondContact OD2-CD 3.35Å; D336-K339 VanDerWaalsContact OD2-CE 3.29Å; D336-K339 WeakPolarHBondContact OD2-CE 3.37Å; D336-K339 WeakPolarHBondContact OD2-CG 3.49Å; D336-K339 IonicContact OD2-NZ 3.21Å; K339-Q343 WeakPolarHBondContact O-CB 3.26Å; K339-Q343 WeakPolarHBondContact O-CG 3.48Å; K339-Q343 PolarHBondContact O-N 3.32Å |
| 340 | Y | 77.8 | Confident | 74.6 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -52.9 | 176 | -178.4 | -111.8 | 0 | 0 | 0 | 112.6 | M326 I333 E338 Q343 L344 F384 C405 L408 | M326-Y340 HydrophobicContact CE-CE2 3.47Å; M326-Y340 VanDerWaalsContact CE-CE2 3.47Å; M326-Y340 WeakPolarHBondContact CE-OH 3.5Å; I333-Y340 HydrophobicContact CB-CD2 4.48Å; I333-Y340 HydrophobicContact CD1-CD2 3.96Å; I333-Y340 HydrophobicContact CG1-CD2 4.24Å; I333-Y340 HydrophobicContact CG2-CD2 3.47Å; I333-Y340 VanDerWaalsContact CG2-CD2 3.47Å; I333-Y340 HydrophobicContact CG2-CE2 4.35Å; I333-Y340 HydrophobicContact CG2-CG 3.88Å; E338-Y340 PolarHBondContact O-N 2.96Å; Y340-Q343 PolarHBondContact O-N 3.32Å; Y340-L344 HydrophobicContact CD1-CD1 4.07Å; Y340-L344 HydrophobicContact CE1-CD1 3.48Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.48Å; Y340-L344 HydrophobicContact CE1-CG 4.46Å; Y340-L344 HydrophobicContact CE2-CD1 4.38Å; Y340-L344 PolarHBondContact O-N 3.49Å; Y340-L344 VanDerWaalsContact O-N 3.15Å; Y340-F384 HydrophobicContact CD2-CD2 4.24Å; Y340-F384 AromaticContact CD2-CE2 3.88Å; Y340-F384 HydrophobicContact CD2-CE2 3.88Å; Y340-F384 HydrophobicContact CD2-CZ 4.41Å; Y340-F384 AromaticContact CE2-CD2 3.48Å; Y340-F384 HydrophobicContact CE2-CD2 3.48Å; Y340-F384 VanDerWaalsContact CE2-CD2 3.48Å; Y340-F384 AromaticContact CE2-CE2 3.44Å; Y340-F384 HydrophobicContact CE2-CE2 3.44Å; Y340-F384 VanDerWaalsContact CE2-CE2 3.44Å; Y340-F384 HydrophobicContact CE2-CG 4.42Å; Y340-F384 HydrophobicContact CE2-CZ 4.36Å; Y340-C405 HydrophobicContact CE1-CB 4.21Å; Y340-C405 WeakPolarHBondContact OH-CB 3.46Å; Y340-L408 HydrophobicContact CD1-CB 3.81Å; Y340-L408 HydrophobicContact CD1-CD1 3.62Å; Y340-L408 HydrophobicContact CD1-CG 4.36Å; Y340-L408 HydrophobicContact CD2-CD1 4.28Å; Y340-L408 HydrophobicContact CE1-CB 4.11Å; Y340-L408 HydrophobicContact CE1-CD1 3.74Å; Y340-L408 HydrophobicContact CE2-CD1 4.36Å; Y340-L408 HydrophobicContact CG-CD1 3.88Å |
| 341 | V | 79.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69 | -39.8 | -176.4 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | S337 E338 Q343 L344 L345 L409 Y412 V438 | S337-V341 WeakPolarHBondContact O-CG2 3.34Å; S337-V341 PolarHBondContact O-N 3.48Å; E338-V341 PolarHBondContact O-N 3.41Å; E338-V341 VanDerWaalsContact O-N 3.16Å; V341-Q343 VanDerWaalsContact C-N 3.32Å; V341-Q343 PolarHBondContact O-N 2.82Å; V341-L344 PolarHBondContact O-N 2.96Å; V341-L345 HydrophobicContact CG1-CD1 3.95Å; V341-L345 HydrophobicContact CG1-CG 4.26Å; V341-L345 VanDerWaalsContact O-CG 3.3Å; V341-L345 WeakPolarHBondContact O-CG 3.32Å; V341-L345 PolarHBondContact O-N 3.17Å; V341-L409 HydrophobicContact CG1-CD2 4.12Å; V341-L409 HydrophobicContact CG2-CD2 3.7Å; V341-Y412 HydrophobicContact CB-CD1 3.8Å; V341-Y412 HydrophobicContact CB-CE1 4.04Å; V341-Y412 HydrophobicContact CB-CG 4.07Å; V341-Y412 HydrophobicContact CG1-CD1 3.59Å; V341-Y412 HydrophobicContact CG1-CE1 3.64Å; V341-Y412 HydrophobicContact CG1-CG 4.36Å; V341-Y412 HydrophobicContact CG2-CD1 3.93Å; V341-Y412 HydrophobicContact CG2-CG 3.93Å; V341-V438 HydrophobicContact CG1-CG2 3.85Å |
| 342 | E | 82.1 | Confident | 77.3 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.3 | -37.1 | 176.2 | -70.4 | -169.6 | 157.6 | 0 | 0 | 112.9 | E338 L345 T346 K434 | E338-E342 WeakPolarHBondContact O-CG 3.43Å; E338-E342 PolarHBondContact O-N 2.95Å; E342-L345 PolarHBondContact O-N 2.93Å; E342-T346 VanDerWaalsContact O-CB 3.31Å; E342-T346 WeakPolarHBondContact O-CB 2.8Å; E342-T346 PolarHBondContact O-N 3.26Å; E342-T346 PolarHBondContact O-OG1 3.03Å; E342-K434 IonicContact OE1-NZ 2.74Å; E342-K434 PolarHBondContact OE1-NZ 2.9Å |
| 343 | Q | 83.1 | Confident | 78.7 | Confident | 84 Ų | 84 | 48.4 Ų | 48.4 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 174.4 | -73 | -63.8 | -20.6 | 0 | 0 | 112.1 | K339 Y340 V341 L345 T346 L347 | K339-Q343 WeakPolarHBondContact O-CB 3.26Å; K339-Q343 WeakPolarHBondContact O-CG 3.48Å; K339-Q343 PolarHBondContact O-N 3.32Å; Y340-Q343 PolarHBondContact O-N 3.32Å; V341-Q343 VanDerWaalsContact C-N 3.32Å; V341-Q343 PolarHBondContact O-N 2.82Å; Q343-L345 PolarHBondContact O-N 2.8Å; Q343-T346 PolarHBondContact O-N 3.37Å; Q343-L347 WeakPolarHBondContact O-CB 3.43Å; Q343-L347 PolarHBondContact O-N 3.41Å |
| 344 | L | 82.4 | Confident | 80.2 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 174.5 | -73.9 | 175.9 | 0 | 0 | 0 | 111.6 | M326 Y340 V341 L347 F348 Y374 V377 | M326-L344 HydrophobicContact CE-CD2 4.36Å; M326-L344 HydrophobicContact SD-CD2 4.12Å; Y340-L344 HydrophobicContact CD1-CD1 4.07Å; Y340-L344 HydrophobicContact CE1-CD1 3.48Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.48Å; Y340-L344 HydrophobicContact CE1-CG 4.46Å; Y340-L344 HydrophobicContact CE2-CD1 4.38Å; Y340-L344 PolarHBondContact O-N 3.49Å; Y340-L344 VanDerWaalsContact O-N 3.15Å; V341-L344 PolarHBondContact O-N 2.96Å; L344-L347 WeakPolarHBondContact O-CB 3.03Å; L344-L347 PolarHBondContact O-N 2.8Å; L344-F348 PolarHBondContact O-N 2.98Å; L344-Y374 PolarHBondContact O-OH 3.05Å; L344-V377 HydrophobicContact CD2-CG1 4.19Å |
| 345 | L | 83.1 | Confident | 81.9 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 178.2 | -66.3 | 176.3 | 0 | 0 | 0 | 112.1 | V341 E342 Q343 L347 F348 N349 E437 V441 | V341-L345 HydrophobicContact CG1-CD1 3.95Å; V341-L345 HydrophobicContact CG1-CG 4.26Å; V341-L345 VanDerWaalsContact O-CG 3.3Å; V341-L345 WeakPolarHBondContact O-CG 3.32Å; V341-L345 PolarHBondContact O-N 3.17Å; E342-L345 PolarHBondContact O-N 2.93Å; Q343-L345 PolarHBondContact O-N 2.8Å; L345-L347 VanDerWaalsContact C-N 3.34Å; L345-L347 PolarHBondContact O-N 3.32Å; L345-F348 WeakPolarHBondContact O-CB 2.98Å; L345-F348 PolarHBondContact O-N 2.82Å; L345-N349 WeakPolarHBondContact O-CB 3.26Å; L345-N349 PolarHBondContact O-N 3.42Å; L345-N349 PolarHBondContact O-ND2 3.04Å; L345-E437 HydrophobicContact CD1-CB 3.88Å; L345-E437 HydrophobicContact CD2-CB 3.75Å; L345-E437 HydrophobicContact CG-CB 4.44Å; L345-V441 HydrophobicContact CD2-CG2 3.67Å |
| 346 | T | 86.6 | Confident | 83.5 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.4 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | E342 Q343 N349 R350 | E342-T346 VanDerWaalsContact O-CB 3.31Å; E342-T346 WeakPolarHBondContact O-CB 2.8Å; E342-T346 PolarHBondContact O-N 3.26Å; E342-T346 PolarHBondContact O-OG1 3.03Å; Q343-T346 PolarHBondContact O-N 3.37Å; T346-N349 PolarHBondContact O-N 2.96Å; T346-R350 VanDerWaalsContact O-CB 3.26Å; T346-R350 WeakPolarHBondContact O-CB 3.43Å; T346-R350 PolarHBondContact O-N 3.46Å |
| 347 | L | 85.5 | Confident | 84.5 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 174.5 | -172.5 | 74 | 0 | 0 | 0 | 111.2 | G322 Q343 L344 L345 R350 F351 Y374 V377 | G322-L347 VanDerWaalsContact CA-CD2 3.46Å; Q343-L347 WeakPolarHBondContact O-CB 3.43Å; Q343-L347 PolarHBondContact O-N 3.41Å; L344-L347 WeakPolarHBondContact O-CB 3.03Å; L344-L347 PolarHBondContact O-N 2.8Å; L345-L347 VanDerWaalsContact C-N 3.34Å; L345-L347 PolarHBondContact O-N 3.32Å; L347-R350 PolarHBondContact O-N 3.03Å; L347-F351 HydrophobicContact CD1-CD2 3.91Å; L347-F351 HydrophobicContact CD1-CE2 3.39Å; L347-F351 HydrophobicContact CD1-CZ 4.42Å; L347-F351 HydrophobicContact CG-CD2 3.99Å; L347-F351 HydrophobicContact CG-CE2 3.94Å; L347-F351 VanDerWaalsContact O-CD2 3.26Å; L347-F351 WeakPolarHBondContact O-CD2 3.15Å; L347-F351 PolarHBondContact O-N 2.94Å; L347-F351 VanDerWaalsContact O-N 3.11Å; L347-Y374 HydrophobicContact CD2-CE2 4.39Å; L347-V377 HydrophobicContact CD2-CG1 4.11Å |
| 348 | F | 85.8 | Confident | 85.5 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 9% | 0.088 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 178.3 | -174.4 | -97.3 | 0 | 0 | 0 | 111.8 | L344 L345 F351 S352 Y374 L440 | L344-F348 PolarHBondContact O-N 2.98Å; L345-F348 WeakPolarHBondContact O-CB 2.98Å; L345-F348 PolarHBondContact O-N 2.82Å; F348-F351 PolarHBondContact O-N 3.36Å; F348-S352 WeakPolarHBondContact CE1-OG 3.17Å; F348-S352 WeakPolarHBondContact O-CB 3.45Å; F348-S352 PolarHBondContact O-N 2.93Å; F348-S352 PolarHBondContact O-OG 3.42Å; F348-Y374 HydrophobicContact CB-CD2 4.44Å; F348-Y374 HydrophobicContact CB-CE2 3.61Å; F348-Y374 HydrophobicContact CD2-CD1 4.13Å; F348-Y374 AromaticContact CD2-CD2 3.94Å; F348-Y374 HydrophobicContact CD2-CD2 3.94Å; F348-Y374 AromaticContact CD2-CE1 3.99Å; F348-Y374 HydrophobicContact CD2-CE1 3.99Å; F348-Y374 AromaticContact CD2-CE2 3.82Å; F348-Y374 HydrophobicContact CD2-CE2 3.82Å; F348-Y374 HydrophobicContact CD2-CG 4.09Å; F348-Y374 AromaticContact CD2-CZ 3.84Å; F348-Y374 HydrophobicContact CG-CE2 4.2Å; F348-L440 HydrophobicContact CD1-CD2 4.09Å; F348-L440 HydrophobicContact CE1-CD2 3.45Å; F348-L440 VanDerWaalsContact CE1-CD2 3.45Å; F348-L440 HydrophobicContact CE2-CD2 4.4Å; F348-L440 HydrophobicContact CZ-CD2 3.64Å; F348-L440 HydrophobicContact CZ-CG 4.44Å |
| 349 | N | 87.4 | Confident | 86.2 | Confident | 79 Ų | 79 | 44.3 Ų | 44.3 | 42% | 0.422 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.5 | -40.2 | -179.2 | -74.2 | -24.1 | 0 | 0 | 0 | 111.7 | L345 T346 S352 K353 | L345-N349 WeakPolarHBondContact O-CB 3.26Å; L345-N349 PolarHBondContact O-N 3.42Å; L345-N349 PolarHBondContact O-ND2 3.04Å; T346-N349 PolarHBondContact O-N 2.96Å; N349-S352 PolarHBondContact O-N 2.88Å; N349-K353 WeakPolarHBondContact O-CB 3.43Å; N349-K353 PolarHBondContact O-N 3.49Å |
| 350 | R | 88.9 | Confident | 86.8 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 36% | 0.362 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.7 | -52 | 174.9 | -178.4 | 174.1 | 76.1 | -165.3 | -1.3 | 111.4 | D325 T346 L347 K353 L354 | D325-R350 IonicContact OD2-CZ 3.61Å; D325-R350 IonicContact OD2-NH1 3.91Å; D325-R350 PolarHBondContact OD2-NH1 3.22Å; D325-R350 IonicContact OD2-NH2 2.83Å; D325-R350 PolarHBondContact OD2-NH2 2.93Å; T346-R350 VanDerWaalsContact O-CB 3.26Å; T346-R350 WeakPolarHBondContact O-CB 3.43Å; T346-R350 PolarHBondContact O-N 3.46Å; L347-R350 PolarHBondContact O-N 3.03Å; R350-K353 PolarHBondContact O-N 2.88Å; R350-L354 PolarHBondContact O-N 3.43Å; R350-L354 VanDerWaalsContact O-N 3.09Å |
| 351 | F | 88.7 | Confident | 87.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -78.1 | -24.8 | -178.4 | -69.1 | -57.7 | 0 | 0 | 0 | 113.7 | H317 I318 A321 L347 F348 L354 V355 | H317-F351 AromaticContact CD2-CE1 3.45Å; H317-F351 VanDerWaalsContact CD2-CE1 3.45Å; H317-F351 WeakPolarHBondContact CD2-CE1 3.09Å; H317-F351 AromaticContact CD2-CZ 3.74Å; H317-F351 AromaticContact NE2-CE1 3.57Å; H317-F351 AromaticContact NE2-CZ 3.73Å; I318-F351 HydrophobicContact CB-CD2 4.23Å; I318-F351 HydrophobicContact CB-CE2 4.08Å; I318-F351 HydrophobicContact CB-CZ 4.4Å; I318-F351 HydrophobicContact CD1-CB 4.25Å; I318-F351 HydrophobicContact CD1-CD1 4.44Å; I318-F351 HydrophobicContact CD1-CG 4.2Å; I318-F351 HydrophobicContact CG1-CB 4.28Å; I318-F351 HydrophobicContact CG1-CD1 3.75Å; I318-F351 HydrophobicContact CG1-CD2 3.77Å; I318-F351 HydrophobicContact CG1-CE1 3.94Å; I318-F351 HydrophobicContact CG1-CE2 3.89Å; I318-F351 HydrophobicContact CG1-CG 3.68Å; I318-F351 HydrophobicContact CG1-CZ 4Å; I318-F351 HydrophobicContact CG2-CD2 3.87Å; I318-F351 HydrophobicContact CG2-CE2 3.97Å; A321-F351 HydrophobicContact CB-CE2 4.28Å; A321-F351 HydrophobicContact CB-CZ 3.86Å; L347-F351 HydrophobicContact CD1-CD2 3.91Å; L347-F351 HydrophobicContact CD1-CE2 3.39Å; L347-F351 HydrophobicContact CD1-CZ 4.42Å; L347-F351 HydrophobicContact CG-CD2 3.99Å; L347-F351 HydrophobicContact CG-CE2 3.94Å; L347-F351 VanDerWaalsContact O-CD2 3.26Å; L347-F351 WeakPolarHBondContact O-CD2 3.15Å; L347-F351 PolarHBondContact O-N 2.94Å; L347-F351 VanDerWaalsContact O-N 3.11Å; F348-F351 PolarHBondContact O-N 3.36Å; F351-L354 HydrophobicContact CD1-CD2 3.89Å; F351-L354 HydrophobicContact CE1-CD2 4.32Å; F351-L354 PolarHBondContact O-N 3.09Å; F351-V355 WeakPolarHBondContact O-CG2 3.44Å; F351-V355 PolarHBondContact O-N 2.97Å |
| 352 | S | 88.3 | Confident | 87.9 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 170 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | F348 N349 V355 K356 R369 | F348-S352 WeakPolarHBondContact CE1-OG 3.17Å; F348-S352 WeakPolarHBondContact O-CB 3.45Å; F348-S352 PolarHBondContact O-N 2.93Å; F348-S352 PolarHBondContact O-OG 3.42Å; N349-S352 PolarHBondContact O-N 2.88Å; S352-V355 PolarHBondContact O-N 3.24Å; S352-K356 WeakPolarHBondContact O-CB 3.44Å; S352-K356 PolarHBondContact O-N 2.88Å; S352-R369 PolarHBondContact OG-NH1 3.41Å |
| 353 | K | 90.3 | Very high | 88.3 | Confident | 127 Ų | 127 | 51.4 Ų | 51.4 | 55% | 0.552 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 172.8 | -173.8 | 178.6 | 177.5 | -177.6 | 0 | 111.7 | N349 R350 V355 K356 E357 | N349-K353 WeakPolarHBondContact O-CB 3.43Å; N349-K353 PolarHBondContact O-N 3.49Å; R350-K353 PolarHBondContact O-N 2.88Å; K353-V355 PolarHBondContact O-N 3.27Å; K353-K356 PolarHBondContact O-N 3.31Å; K353-E357 WeakPolarHBondContact CE-OE1 3.41Å; K353-E357 HydrophobicContact CG-CG 4.41Å; K353-E357 IonicContact NZ-OE1 3.07Å; K353-E357 WeakPolarHBondContact O-CB 3.49Å; K353-E357 WeakPolarHBondContact O-CG 3.36Å; K353-E357 PolarHBondContact O-N 2.97Å |
| 354 | L | 90.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 176.4 | -178.5 | 70 | 0 | 0 | 0 | 111.6 | I285 T290 L293 L314 R350 F351 K356 E357 A358 | I285-L354 HydrophobicContact CG2-CD2 4.18Å; T290-L354 HydrophobicContact CG2-CD1 3.98Å; L293-L354 HydrophobicContact CD1-CD1 4.13Å; L314-L354 HydrophobicContact CD1-CD2 3.93Å; R350-L354 PolarHBondContact O-N 3.43Å; R350-L354 VanDerWaalsContact O-N 3.09Å; F351-L354 HydrophobicContact CD1-CD2 3.89Å; F351-L354 HydrophobicContact CE1-CD2 4.32Å; F351-L354 PolarHBondContact O-N 3.09Å; L354-K356 VanDerWaalsContact C-N 3.34Å; L354-K356 PolarHBondContact O-N 2.76Å; L354-E357 PolarHBondContact O-N 3.09Å; L354-A358 WeakPolarHBondContact O-CB 3.32Å; L354-A358 PolarHBondContact O-N 3.08Å |
| 355 | V | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | -179.3 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | L314 F351 S352 K353 F359 Q360 F365 L366 | L314-V355 HydrophobicContact CD2-CG2 3.94Å; F351-V355 WeakPolarHBondContact O-CG2 3.44Å; F351-V355 PolarHBondContact O-N 2.97Å; S352-V355 PolarHBondContact O-N 3.24Å; K353-V355 PolarHBondContact O-N 3.27Å; V355-F359 HydrophobicContact CB-CD2 4.49Å; V355-F359 HydrophobicContact CG1-CB 4.48Å; V355-F359 HydrophobicContact CG1-CD2 4.49Å; V355-F359 HydrophobicContact CG2-CD2 4.33Å; V355-F359 CarbonylContact O-C 3.6Å; V355-F359 WeakPolarHBondContact O-CA 3.2Å; V355-F359 WeakPolarHBondContact O-CB 3.34Å; V355-F359 PolarHBondContact O-N 3.14Å; V355-Q360 PolarHBondContact O-N 3.47Å; V355-F365 HydrophobicContact CG1-CB 3.94Å; V355-L366 HydrophobicContact CG1-CD2 3.83Å; V355-L366 HydrophobicContact CG1-CG 4.26Å |
| 356 | K | 91.4 | Very high | 89.3 | Confident | 133 Ų | 133 | 53.8 Ų | 53.8 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.2 | -47.9 | 176.5 | -178.8 | 170.6 | -177 | 178.5 | 0 | 112.5 | S352 K353 L354 Q360 D361 | S352-K356 WeakPolarHBondContact O-CB 3.44Å; S352-K356 PolarHBondContact O-N 2.88Å; K353-K356 PolarHBondContact O-N 3.31Å; L354-K356 VanDerWaalsContact C-N 3.34Å; L354-K356 PolarHBondContact O-N 2.76Å; K356-Q360 WeakPolarHBondContact O-CA 3.28Å; K356-Q360 PolarHBondContact O-N 3.43Å; K356-D361 VanDerWaalsContact CA-OD1 3.32Å; K356-D361 WeakPolarHBondContact CA-OD1 3.25Å; K356-D361 WeakPolarHBondContact CB-OD1 3.36Å |
| 357 | E | 90.8 | Very high | 89.4 | Confident | 95 Ų | 95 | 52.9 Ų | 52.9 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -78.1 | -41.5 | -175.7 | -69.4 | 178.3 | 178.9 | 0 | 0 | 112.8 | T290 K353 L354 | T290-E357 HydrophobicContact CG2-CB 3.71Å; K353-E357 WeakPolarHBondContact CE-OE1 3.41Å; K353-E357 HydrophobicContact CG-CG 4.41Å; K353-E357 IonicContact NZ-OE1 3.07Å; K353-E357 WeakPolarHBondContact O-CB 3.49Å; K353-E357 WeakPolarHBondContact O-CG 3.36Å; K353-E357 PolarHBondContact O-N 2.97Å; L354-E357 PolarHBondContact O-N 3.09Å |
| 358 | A | 89.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -83.5 | -37.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | T290 L293 H294 L354 | T290-A358 HydrophobicContact CG2-CB 4.38Å; L293-A358 HydrophobicContact CB-CB 3.72Å; L293-A358 HydrophobicContact CD1-CB 4.05Å; H294-A358 WeakPolarHBondContact CA-O 3.33Å; H294-A358 WeakPolarHBondContact CB-O 3.38Å; H294-A358 PolarHBondContact ND1-O 3.27Å; L354-A358 WeakPolarHBondContact O-CB 3.32Å; L354-A358 PolarHBondContact O-N 3.08Å |
| 359 | F | 90.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -120.4 | 10.1 | -169.7 | -51.6 | -61.6 | 0 | 0 | 0 | 113.6 | L293 F297 M310 L314 V355 D361 D362 F365 | L293-F359 HydrophobicContact CB-CE1 4.43Å; L293-F359 HydrophobicContact CB-CZ 4.46Å; F297-F359 HydrophobicContact CB-CD1 3.89Å; F297-F359 HydrophobicContact CB-CE1 4.2Å; F297-F359 HydrophobicContact CD2-CD1 4.23Å; F297-F359 HydrophobicContact CG-CD1 4.01Å; M310-F359 HydrophobicContact CE-CD1 4.48Å; M310-F359 HydrophobicContact CE-CE1 3.59Å; M310-F359 HydrophobicContact CE-CZ 4.32Å; L314-F359 HydrophobicContact CD2-CE2 4.13Å; V355-F359 HydrophobicContact CB-CD2 4.49Å; V355-F359 HydrophobicContact CG1-CB 4.48Å; V355-F359 HydrophobicContact CG1-CD2 4.49Å; V355-F359 HydrophobicContact CG2-CD2 4.33Å; V355-F359 CarbonylContact O-C 3.6Å; V355-F359 WeakPolarHBondContact O-CA 3.2Å; V355-F359 WeakPolarHBondContact O-CB 3.34Å; V355-F359 PolarHBondContact O-N 3.14Å; F359-D361 PolarHBondContact O-N 3.02Å; F359-D362 WeakPolarHBondContact O-CB 3.34Å; F359-D362 PolarHBondContact O-N 3.3Å; F359-F365 HydrophobicContact CB-CB 4.16Å; F359-F365 HydrophobicContact CB-CD1 4.4Å; F359-F365 HydrophobicContact CB-CD2 3.91Å; F359-F365 HydrophobicContact CB-CE2 4.4Å; F359-F365 HydrophobicContact CB-CG 3.89Å; F359-F365 HydrophobicContact CD1-CD1 4.01Å; F359-F365 HydrophobicContact CD1-CD2 4.15Å; F359-F365 AromaticContact CD1-CE1 3.73Å; F359-F365 HydrophobicContact CD1-CE1 3.73Å; F359-F365 AromaticContact CD1-CE2 3.87Å; F359-F365 HydrophobicContact CD1-CE2 3.87Å; F359-F365 HydrophobicContact CD1-CG 4.21Å; F359-F365 AromaticContact CD1-CZ 3.64Å; F359-F365 HydrophobicContact CD1-CZ 3.64Å; F359-F365 HydrophobicContact CD2-CB 4.15Å; F359-F365 AromaticContact CD2-CD1 3.46Å; F359-F365 HydrophobicContact CD2-CD1 3.46Å; F359-F365 VanDerWaalsContact CD2-CD1 3.46Å; F359-F365 HydrophobicContact CD2-CD2 4.46Å; F359-F365 AromaticContact CD2-CE1 3.91Å; F359-F365 HydrophobicContact CD2-CE1 3.91Å; F359-F365 AromaticContact CD2-CG 3.77Å; F359-F365 HydrophobicContact CD2-CG 3.77Å; F359-F365 HydrophobicContact CE1-CD1 4.15Å; F359-F365 AromaticContact CE1-CE1 3.57Å; F359-F365 HydrophobicContact CE1-CE1 3.57Å; F359-F365 HydrophobicContact CE1-CE2 4.4Å; F359-F365 AromaticContact CE1-CZ 3.7Å; F359-F365 HydrophobicContact CE1-CZ 3.7Å; F359-F365 AromaticContact CE2-CD1 3.63Å; F359-F365 HydrophobicContact CE2-CD1 3.63Å; F359-F365 AromaticContact CE2-CE1 3.77Å; F359-F365 HydrophobicContact CE2-CE1 3.77Å; F359-F365 HydrophobicContact CE2-CG 4.4Å; F359-F365 HydrophobicContact CG-CB 4.28Å; F359-F365 AromaticContact CG-CD1 3.69Å; F359-F365 HydrophobicContact CG-CD1 3.69Å; F359-F365 AromaticContact CG-CD2 3.92Å; F359-F365 HydrophobicContact CG-CD2 3.92Å; F359-F365 AromaticContact CG-CE1 3.91Å; F359-F365 HydrophobicContact CG-CE1 3.91Å; F359-F365 HydrophobicContact CG-CE2 4.12Å; F359-F365 AromaticContact CG-CG 3.68Å; F359-F365 HydrophobicContact CG-CG 3.68Å; F359-F365 HydrophobicContact CG-CZ 4.12Å; F359-F365 AromaticContact CZ-CD1 3.98Å; F359-F365 HydrophobicContact CZ-CD1 3.98Å; F359-F365 AromaticContact CZ-CE1 3.59Å; F359-F365 HydrophobicContact CZ-CE1 3.59Å; F359-F365 HydrophobicContact CZ-CZ 4.22Å |
| 360 | Q | 89.6 | Confident | 89.4 | Confident | 130 Ų | 130 | 50.3 Ų | 50.3 | 61% | 0.607 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.6 | 176.5 | -62.4 | -178.2 | -20.9 | 0 | 0 | 114 | H294 V355 K356 D362 | H294-Q360 PolarHBondContact CE1-NE2 2.98Å; H294-Q360 PolarHBondContact NE2-NE2 3.08Å; V355-Q360 PolarHBondContact O-N 3.47Å; K356-Q360 WeakPolarHBondContact O-CA 3.28Å; K356-Q360 PolarHBondContact O-N 3.43Å; Q360-D362 PolarHBondContact O-N 3Å |
| 361 | D | 89.6 | Confident | 88.8 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 33.4 | -177 | -66.7 | -40.3 | 0 | 0 | 0 | 113.7 | K356 F359 L366 | K356-D361 VanDerWaalsContact CA-OD1 3.32Å; K356-D361 WeakPolarHBondContact CA-OD1 3.25Å; K356-D361 WeakPolarHBondContact CB-OD1 3.36Å; F359-D361 PolarHBondContact O-N 3.02Å; D361-L366 HydrophobicContact CB-CD1 4.32Å; D361-L366 WeakPolarHBondContact O-CD1 3.5Å |
| 362 | D | 90.7 | Very high | 88.3 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | trans | -55.5 | 129 | 174.9 | 179.2 | -76.2 | 0 | 0 | 0 | 111.1 | F297 F359 Q360 R364 F365 L366 | F297-D362 HydrophobicContact CZ-CB 4.09Å; F359-D362 WeakPolarHBondContact O-CB 3.34Å; F359-D362 PolarHBondContact O-N 3.3Å; Q360-D362 PolarHBondContact O-N 3Å; D362-R364 PolarHBondContact O-N 3.02Å; D362-R364 VanDerWaalsContact O-N 3.09Å; D362-R364 WeakPolarHBondContact OD1-CA 3.39Å; D362-R364 WeakPolarHBondContact OD1-CB 3.19Å; D362-R364 WeakPolarHBondContact OD1-CG 3.43Å; D362-R364 IonicContact OD1-CZ 3.22Å; D362-R364 PolarHBondContact OD1-N 3.2Å; D362-R364 IonicContact OD1-NE 2.87Å; D362-R364 PolarHBondContact OD1-NE 3.23Å; D362-R364 IonicContact OD1-NH2 3.95Å; D362-R364 IonicContact OD2-CZ 2.89Å; D362-R364 IonicContact OD2-NE 2.87Å; D362-R364 PolarHBondContact OD2-NE 3.15Å; D362-R364 IonicContact OD2-NH2 2.59Å; D362-R364 PolarHBondContact OD2-NH2 3.35Å; D362-F365 HydrophobicContact CB-CD2 3.96Å; D362-F365 PolarHBondContact O-N 3.4Å; D362-F365 VanDerWaalsContact O-N 3.09Å; D362-L366 PolarHBondContact O-N 2.75Å | ||
| 363 | P | 90.2 | Very high | 87.9 | Confident | 91 Ų | 91 | 57 Ų | 57 | 59% | 0.591 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.5 | -28.1 | -175.5 | -27.8 | 34.9 | 0 | 0 | 0 | 114.9 | T367 | P363-T367 VanDerWaalsContact O-CB 3.32Å; P363-T367 WeakPolarHBondContact O-CB 3.46Å; P363-T367 PolarHBondContact O-N 3.44Å; P363-T367 PolarHBondContact O-OG1 2.94Å |
| 364 | R | 90.7 | Very high | 87.5 | Confident | 103 Ų | 103 | 51 Ų | 51 | 39% | 0.389 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.6 | -44.1 | 179.3 | -57.4 | 168 | -77.5 | -167.7 | -0.5 | 110 | D301 I307 L311 D362 T367 A368 | D301-R364 IonicContact OD1-CZ 3.61Å; D301-R364 IonicContact OD1-NH1 3.42Å; D301-R364 PolarHBondContact OD1-NH1 3.49Å; D301-R364 IonicContact OD1-NH2 3.28Å; D301-R364 PolarHBondContact OD1-NH2 2.9Å; I307-R364 VanDerWaalsContact CD1-CZ 3.42Å; L311-R364 HydrophobicContact CD1-CB 4.15Å; L311-R364 HydrophobicContact CD2-CB 4.07Å; D362-R364 PolarHBondContact O-N 3.02Å; D362-R364 VanDerWaalsContact O-N 3.09Å; D362-R364 WeakPolarHBondContact OD1-CA 3.39Å; D362-R364 WeakPolarHBondContact OD1-CB 3.19Å; D362-R364 WeakPolarHBondContact OD1-CG 3.43Å; D362-R364 IonicContact OD1-CZ 3.22Å; D362-R364 PolarHBondContact OD1-N 3.2Å; D362-R364 IonicContact OD1-NE 2.87Å; D362-R364 PolarHBondContact OD1-NE 3.23Å; D362-R364 IonicContact OD1-NH2 3.95Å; D362-R364 IonicContact OD2-CZ 2.89Å; D362-R364 IonicContact OD2-NE 2.87Å; D362-R364 PolarHBondContact OD2-NE 3.15Å; D362-R364 IonicContact OD2-NH2 2.59Å; D362-R364 PolarHBondContact OD2-NH2 3.35Å; R364-T367 PolarHBondContact O-N 2.85Å; R364-A368 WeakPolarHBondContact O-CB 3.21Å; R364-A368 PolarHBondContact O-N 2.95Å |
| 365 | F | 89.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 176.8 | -74.1 | -87.6 | 0 | 0 | 0 | 112.5 | F297 I307 M310 L311 L314 V355 F359 D362 T367 A368 R369 | F297-F365 AromaticContact CD2-CE2 3.61Å; F297-F365 HydrophobicContact CD2-CE2 3.61Å; F297-F365 HydrophobicContact CD2-CZ 4.11Å; F297-F365 HydrophobicContact CE2-CD2 4.32Å; F297-F365 AromaticContact CE2-CE2 3.63Å; F297-F365 HydrophobicContact CE2-CE2 3.63Å; I307-F365 HydrophobicContact CG2-CE2 3.59Å; I307-F365 HydrophobicContact CG2-CZ 3.7Å; M310-F365 HydrophobicContact CB-CE1 4.18Å; M310-F365 HydrophobicContact CB-CZ 4.04Å; M310-F365 HydrophobicContact CE-CZ 4.15Å; L311-F365 HydrophobicContact CD2-CB 4.3Å; L311-F365 HydrophobicContact CD2-CD1 3.6Å; L311-F365 HydrophobicContact CD2-CD2 3.88Å; L311-F365 HydrophobicContact CD2-CE1 3.79Å; L311-F365 HydrophobicContact CD2-CE2 4.06Å; L311-F365 HydrophobicContact CD2-CG 3.67Å; L311-F365 HydrophobicContact CD2-CZ 4.02Å; L311-F365 HydrophobicContact CG-CE1 4.44Å; L311-F365 HydrophobicContact CG-CZ 4.5Å; L314-F365 HydrophobicContact CD2-CD1 3.72Å; V355-F365 HydrophobicContact CG1-CB 3.94Å; F359-F365 HydrophobicContact CB-CB 4.16Å; F359-F365 HydrophobicContact CB-CD1 4.4Å; F359-F365 HydrophobicContact CB-CD2 3.91Å; F359-F365 HydrophobicContact CB-CE2 4.4Å; F359-F365 HydrophobicContact CB-CG 3.89Å; F359-F365 HydrophobicContact CD1-CD1 4.01Å; F359-F365 HydrophobicContact CD1-CD2 4.15Å; F359-F365 AromaticContact CD1-CE1 3.73Å; F359-F365 HydrophobicContact CD1-CE1 3.73Å; F359-F365 AromaticContact CD1-CE2 3.87Å; F359-F365 HydrophobicContact CD1-CE2 3.87Å; F359-F365 HydrophobicContact CD1-CG 4.21Å; F359-F365 AromaticContact CD1-CZ 3.64Å; F359-F365 HydrophobicContact CD1-CZ 3.64Å; F359-F365 HydrophobicContact CD2-CB 4.15Å; F359-F365 AromaticContact CD2-CD1 3.46Å; F359-F365 HydrophobicContact CD2-CD1 3.46Å; F359-F365 VanDerWaalsContact CD2-CD1 3.46Å; F359-F365 HydrophobicContact CD2-CD2 4.46Å; F359-F365 AromaticContact CD2-CE1 3.91Å; F359-F365 HydrophobicContact CD2-CE1 3.91Å; F359-F365 AromaticContact CD2-CG 3.77Å; F359-F365 HydrophobicContact CD2-CG 3.77Å; F359-F365 HydrophobicContact CE1-CD1 4.15Å; F359-F365 AromaticContact CE1-CE1 3.57Å; F359-F365 HydrophobicContact CE1-CE1 3.57Å; F359-F365 HydrophobicContact CE1-CE2 4.4Å; F359-F365 AromaticContact CE1-CZ 3.7Å; F359-F365 HydrophobicContact CE1-CZ 3.7Å; F359-F365 AromaticContact CE2-CD1 3.63Å; F359-F365 HydrophobicContact CE2-CD1 3.63Å; F359-F365 AromaticContact CE2-CE1 3.77Å; F359-F365 HydrophobicContact CE2-CE1 3.77Å; F359-F365 HydrophobicContact CE2-CG 4.4Å; F359-F365 HydrophobicContact CG-CB 4.28Å; F359-F365 AromaticContact CG-CD1 3.69Å; F359-F365 HydrophobicContact CG-CD1 3.69Å; F359-F365 AromaticContact CG-CD2 3.92Å; F359-F365 HydrophobicContact CG-CD2 3.92Å; F359-F365 AromaticContact CG-CE1 3.91Å; F359-F365 HydrophobicContact CG-CE1 3.91Å; F359-F365 HydrophobicContact CG-CE2 4.12Å; F359-F365 AromaticContact CG-CG 3.68Å; F359-F365 HydrophobicContact CG-CG 3.68Å; F359-F365 HydrophobicContact CG-CZ 4.12Å; F359-F365 AromaticContact CZ-CD1 3.98Å; F359-F365 HydrophobicContact CZ-CD1 3.98Å; F359-F365 AromaticContact CZ-CE1 3.59Å; F359-F365 HydrophobicContact CZ-CE1 3.59Å; F359-F365 HydrophobicContact CZ-CZ 4.22Å; D362-F365 HydrophobicContact CB-CD2 3.96Å; D362-F365 PolarHBondContact O-N 3.4Å; D362-F365 VanDerWaalsContact O-N 3.09Å; F365-T367 VanDerWaalsContact C-N 3.32Å; F365-T367 PolarHBondContact O-N 3.37Å; F365-A368 PolarHBondContact O-N 3.48Å; F365-R369 WeakPolarHBondContact O-CB 3.31Å; F365-R369 PolarHBondContact O-N 3.3Å |
| 366 | L | 88.6 | Confident | 86.8 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 23% | 0.225 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 170.6 | -67.7 | 174.7 | 0 | 0 | 0 | 111.2 | V355 D361 D362 R369 D370 | V355-L366 HydrophobicContact CG1-CD2 3.83Å; V355-L366 HydrophobicContact CG1-CG 4.26Å; D361-L366 HydrophobicContact CB-CD1 4.32Å; D361-L366 WeakPolarHBondContact O-CD1 3.5Å; D362-L366 PolarHBondContact O-N 2.75Å; L366-R369 PolarHBondContact O-N 2.88Å; L366-D370 VanDerWaalsContact O-CB 3.28Å; L366-D370 WeakPolarHBondContact O-CB 3.41Å; L366-D370 PolarHBondContact O-N 3.42Å |
| 367 | T | 88.6 | Confident | 86.4 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 39% | 0.393 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 177.4 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | P363 R364 F365 K371 | P363-T367 VanDerWaalsContact O-CB 3.32Å; P363-T367 WeakPolarHBondContact O-CB 3.46Å; P363-T367 PolarHBondContact O-N 3.44Å; P363-T367 PolarHBondContact O-OG1 2.94Å; R364-T367 PolarHBondContact O-N 2.85Å; F365-T367 VanDerWaalsContact C-N 3.32Å; F365-T367 PolarHBondContact O-N 3.37Å; T367-K371 HydrophobicContact CG2-CB 4.3Å; T367-K371 HydrophobicContact CG2-CD 3.99Å; T367-K371 HydrophobicContact CG2-CG 4.25Å; T367-K371 WeakPolarHBondContact O-CB 3.38Å; T367-K371 PolarHBondContact O-N 3.27Å |
| 368 | A | 87.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -61.2 | -47.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L311 E315 R364 F365 A373 | L311-A368 HydrophobicContact CB-CB 4.38Å; L311-A368 HydrophobicContact CD2-CB 3.9Å; E315-A368 HydrophobicContact CG-CB 3.82Å; E315-A368 WeakPolarHBondContact OE1-CB 3.15Å; R364-A368 WeakPolarHBondContact O-CB 3.21Å; R364-A368 PolarHBondContact O-N 2.95Å; F365-A368 PolarHBondContact O-N 3.48Å; A368-A373 PolarHBondContact O-N 2.83Å |
| 369 | R | 87.8 | Confident | 85.5 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -57.8 | -54.8 | 173.7 | -176.4 | -163.7 | 71.4 | -160.7 | -3.8 | 111.4 | I318 S352 F365 L366 Y374 | I318-R369 HydrophobicContact CD1-CB 4.15Å; I318-R369 HydrophobicContact CD1-CG 3.98Å; S352-R369 PolarHBondContact OG-NH1 3.41Å; F365-R369 WeakPolarHBondContact O-CB 3.31Å; F365-R369 PolarHBondContact O-N 3.3Å; L366-R369 PolarHBondContact O-N 2.88Å; R369-Y374 VanDerWaalsContact O-CB 3.25Å; R369-Y374 WeakPolarHBondContact O-CB 3.43Å; R369-Y374 PolarHBondContact O-N 2.73Å |
| 370 | D | 82.7 | Confident | 84.7 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -79.6 | -57.7 | -167.9 | -71.6 | -15.9 | 0 | 0 | 0 | 113.1 | L366 K375 Y444 | L366-D370 VanDerWaalsContact O-CB 3.28Å; L366-D370 WeakPolarHBondContact O-CB 3.41Å; L366-D370 PolarHBondContact O-N 3.42Å; D370-K375 PolarHBondContact O-N 3.47Å; D370-Y444 HydrophobicContact CB-CE1 3.75Å; D370-Y444 WeakPolarHBondContact CB-OH 3.37Å; D370-Y444 WeakPolarHBondContact O-CD1 3.41Å; D370-Y444 PolarHBondContact OD2-OH 2.79Å |
| 371 | K | 77.1 | Confident | 83.5 | Confident | 145 Ų | 145 | 44.1 Ų | 44.1 | 63% | 0.63 | 23% | 0.227 | S | C | * | . | I | π-helix | trans | -78.7 | -26.8 | -169.2 | -69.3 | -166.1 | -175.1 | 167.2 | 0 | 113.5 | T367 K375 | T367-K371 HydrophobicContact CG2-CB 4.3Å; T367-K371 HydrophobicContact CG2-CD 3.99Å; T367-K371 HydrophobicContact CG2-CG 4.25Å; T367-K371 WeakPolarHBondContact O-CB 3.38Å; T367-K371 PolarHBondContact O-N 3.27Å; K371-K375 VanDerWaalsContact O-CB 3.27Å; K371-K375 WeakPolarHBondContact O-CB 3.29Å; K371-K375 WeakPolarHBondContact O-CD 3.31Å |
| 372 | K | 77.3 | Confident | 82 | Confident | 116 Ų | 116 | 45.3 Ų | 45.3 | 50% | 0.504 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -108.9 | -60.1 | -176 | -67.8 | 179.3 | 176.9 | -179.3 | 0 | 111.6 | E315 A376 | E315-K372 VanDerWaalsContact CD-NZ 3.33Å; E315-K372 HydrophobicContact CG-CB 4.25Å; E315-K372 HydrophobicContact CG-CD 4.28Å; E315-K372 WeakPolarHBondContact OE1-CD 3.17Å; E315-K372 IonicContact OE1-NZ 2.79Å; E315-K372 PolarHBondContact OE1-NZ 2.89Å; E315-K372 WeakPolarHBondContact OE2-CD 3.14Å; E315-K372 IonicContact OE2-NZ 2.7Å; E315-K372 PolarHBondContact OE2-NZ 3.4Å; K372-A376 WeakPolarHBondContact O-CB 3.44Å; K372-A376 PolarHBondContact O-N 2.95Å |
| 373 | A | 80.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -72.5 | -57.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I318 I319 A368 K375 A376 V377 | I318-A373 HydrophobicContact CB-CB 3.69Å; I318-A373 HydrophobicContact CD1-CB 4.1Å; I318-A373 HydrophobicContact CG2-CB 3.57Å; I319-A373 HydrophobicContact CG1-CB 4.07Å; A368-A373 PolarHBondContact O-N 2.83Å; A373-K375 VanDerWaalsContact C-N 3.34Å; A373-K375 PolarHBondContact O-N 3.44Å; A373-A376 WeakPolarHBondContact O-CB 3.36Å; A373-A376 PolarHBondContact O-N 3.43Å; A373-V377 WeakPolarHBondContact O-CG2 3.4Å; A373-V377 PolarHBondContact O-N 3.3Å |
| 374 | Y | 82.1 | Confident | 78.9 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -65.6 | -39.7 | -177.6 | -156.5 | -104.1 | 0 | 0 | 0 | 111.7 | L344 L347 F348 R369 A376 V377 V378 V441 Y444 | L344-Y374 PolarHBondContact O-OH 3.05Å; L347-Y374 HydrophobicContact CD2-CE2 4.39Å; F348-Y374 HydrophobicContact CB-CD2 4.44Å; F348-Y374 HydrophobicContact CB-CE2 3.61Å; F348-Y374 HydrophobicContact CD2-CD1 4.13Å; F348-Y374 AromaticContact CD2-CD2 3.94Å; F348-Y374 HydrophobicContact CD2-CD2 3.94Å; F348-Y374 AromaticContact CD2-CE1 3.99Å; F348-Y374 HydrophobicContact CD2-CE1 3.99Å; F348-Y374 AromaticContact CD2-CE2 3.82Å; F348-Y374 HydrophobicContact CD2-CE2 3.82Å; F348-Y374 HydrophobicContact CD2-CG 4.09Å; F348-Y374 AromaticContact CD2-CZ 3.84Å; F348-Y374 HydrophobicContact CG-CE2 4.2Å; R369-Y374 VanDerWaalsContact O-CB 3.25Å; R369-Y374 WeakPolarHBondContact O-CB 3.43Å; R369-Y374 PolarHBondContact O-N 2.73Å; Y374-A376 VanDerWaalsContact C-N 3.32Å; Y374-A376 PolarHBondContact O-N 2.85Å; Y374-V377 PolarHBondContact O-N 2.73Å; Y374-V378 HydrophobicContact CD1-CG2 3.92Å; Y374-V378 HydrophobicContact CE1-CG2 3.76Å; Y374-V378 WeakPolarHBondContact O-CB 3.12Å; Y374-V378 VanDerWaalsContact O-CG2 3.27Å; Y374-V378 WeakPolarHBondContact O-CG2 3.42Å; Y374-V378 PolarHBondContact O-N 2.81Å; Y374-V441 HydrophobicContact CE1-CG1 4.21Å; Y374-V441 HydrophobicContact CE1-CG2 4.13Å; Y374-Y444 AromaticContact CD1-CD2 3.66Å; Y374-Y444 HydrophobicContact CD1-CD2 3.66Å; Y374-Y444 HydrophobicContact CD1-CE2 4.17Å; Y374-Y444 HydrophobicContact CD1-CG 4.22Å; Y374-Y444 HydrophobicContact CE1-CD2 4.14Å |
| 375 | K | 84.5 | Confident | 77.4 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 169.8 | -171.3 | 175.4 | -175.6 | -178.8 | 0 | 112.4 | D370 K371 A373 N379 | D370-K375 PolarHBondContact O-N 3.47Å; K371-K375 VanDerWaalsContact O-CB 3.27Å; K371-K375 WeakPolarHBondContact O-CB 3.29Å; K371-K375 WeakPolarHBondContact O-CD 3.31Å; A373-K375 VanDerWaalsContact C-N 3.34Å; A373-K375 PolarHBondContact O-N 3.44Å; K375-N379 WeakPolarHBondContact CG-ND2 3.34Å; K375-N379 WeakPolarHBondContact O-CB 3.4Å; K375-N379 PolarHBondContact O-N 3.2Å; K375-N379 PolarHBondContact O-ND2 2.96Å |
| 376 | A | 83.2 | Confident | 75.7 | Confident | 41 Ų | 41 | 43 Ų | 43 | 34% | 0.339 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.7 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I319 K372 A373 Y374 V378 N379 D380 | I319-A376 HydrophobicContact CD1-CB 3.91Å; I319-A376 HydrophobicContact CG1-CB 4.06Å; K372-A376 WeakPolarHBondContact O-CB 3.44Å; K372-A376 PolarHBondContact O-N 2.95Å; A373-A376 WeakPolarHBondContact O-CB 3.36Å; A373-A376 PolarHBondContact O-N 3.43Å; Y374-A376 VanDerWaalsContact C-N 3.32Å; Y374-A376 PolarHBondContact O-N 2.85Å; A376-V378 PolarHBondContact O-N 2.75Å; A376-N379 PolarHBondContact O-N 2.95Å; A376-D380 WeakPolarHBondContact O-CB 3.27Å; A376-D380 PolarHBondContact O-N 3.15Å |
| 377 | V | 82.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 179.3 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | I319 M326 L344 L347 A373 Y374 N379 D380 | I319-V377 HydrophobicContact CB-CG2 4.49Å; I319-V377 HydrophobicContact CG1-CG2 4.39Å; M326-V377 HydrophobicContact SD-CG1 3.49Å; M326-V377 WeakPolarHBondContact SD-CG1 3.44Å; L344-V377 HydrophobicContact CD2-CG1 4.19Å; L347-V377 HydrophobicContact CD2-CG1 4.11Å; A373-V377 WeakPolarHBondContact O-CG2 3.4Å; A373-V377 PolarHBondContact O-N 3.3Å; Y374-V377 PolarHBondContact O-N 2.73Å; V377-N379 VanDerWaalsContact C-N 3.34Å; V377-N379 PolarHBondContact O-N 3.42Å; V377-D380 WeakPolarHBondContact O-CB 3.41Å; V377-D380 PolarHBondContact O-N 3.41Å |
| 378 | V | 81.1 | Confident | 72.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -35.5 | -177.6 | 169.3 | 0 | 0 | 0 | 0 | 112.4 | Y374 A376 S403 C405 V441 V445 | Y374-V378 HydrophobicContact CD1-CG2 3.92Å; Y374-V378 HydrophobicContact CE1-CG2 3.76Å; Y374-V378 WeakPolarHBondContact O-CB 3.12Å; Y374-V378 VanDerWaalsContact O-CG2 3.27Å; Y374-V378 WeakPolarHBondContact O-CG2 3.42Å; Y374-V378 PolarHBondContact O-N 2.81Å; A376-V378 PolarHBondContact O-N 2.75Å; V378-S403 PolarHBondContact O-OG 3.46Å; V378-C405 WeakPolarHBondContact O-CB 3.3Å; V378-V441 HydrophobicContact CG1-CG1 4.22Å; V378-V441 HydrophobicContact CG2-CG1 3.88Å; V378-V445 HydrophobicContact CG1-CB 4.46Å; V378-V445 HydrophobicContact CG1-CG2 3.5Å |
| 379 | N | 81 | Confident | 70.9 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 5.5 | -179.6 | -61.2 | -68.3 | 0 | 0 | 0 | 113.1 | K375 A376 V377 A381 Y444 Q446 | K375-N379 WeakPolarHBondContact CG-ND2 3.34Å; K375-N379 WeakPolarHBondContact O-CB 3.4Å; K375-N379 PolarHBondContact O-N 3.2Å; K375-N379 PolarHBondContact O-ND2 2.96Å; A376-N379 PolarHBondContact O-N 2.95Å; V377-N379 VanDerWaalsContact C-N 3.34Å; V377-N379 PolarHBondContact O-N 3.42Å; N379-A381 PolarHBondContact O-N 3.07Å; N379-Y444 PolarHBondContact ND2-O 3.34Å; N379-Q446 HydrophobicContact CB-CG 4.44Å; N379-Q446 WeakPolarHBondContact OD1-CB 3.27Å; N379-Q446 PolarHBondContact OD1-N 3.36Å |
| 380 | D | 75 | Confident | 68.8 | Low | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.193 | 25% | 0.245 | C | C | . | . | trans | -66.8 | 127.8 | 178.2 | -171.8 | -90.2 | 0 | 0 | 0 | 110.4 | L323 A376 V377 T382 | L323-D380 HydrophobicContact CD2-CB 3.76Å; A376-D380 WeakPolarHBondContact O-CB 3.27Å; A376-D380 PolarHBondContact O-N 3.15Å; V377-D380 WeakPolarHBondContact O-CB 3.41Å; V377-D380 PolarHBondContact O-N 3.41Å; D380-T382 WeakPolarHBondContact OD1-CA 3.46Å; D380-T382 VanDerWaalsContact OD1-CB 3.26Å; D380-T382 WeakPolarHBondContact OD1-CB 3.27Å; D380-T382 PolarHBondContact OD1-N 3.1Å; D380-T382 PolarHBondContact OD1-OG1 2.94Å | ||
| 381 | A | 63.2 | Low | 67 | Low | 25 Ų | 25 | 54.8 Ų | 54.8 | 21% | 0.207 | 27% | 0.272 | C | S | . | . | trans | -105.7 | 14.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N379 K385 P401 | N379-A381 PolarHBondContact O-N 3.07Å; A381-K385 WeakPolarHBondContact O-CE 3.4Å; A381-K385 WeakPolarHBondContact O-CG 3.39Å; A381-P401 WeakPolarHBondContact CB-O 3.27Å | ||
| 382 | T | 59.3 | Low | 65.5 | Low | 94 Ų | 94 | 55.7 Ų | 55.7 | 58% | 0.577 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -83.2 | -34.9 | -179.7 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | D380 | D380-T382 WeakPolarHBondContact OD1-CA 3.46Å; D380-T382 VanDerWaalsContact OD1-CB 3.26Å; D380-T382 WeakPolarHBondContact OD1-CB 3.27Å; D380-T382 PolarHBondContact OD1-N 3.1Å; D380-T382 PolarHBondContact OD1-OG1 2.94Å |
| 383 | I | 57.1 | Low | 63.6 | Low | 37 Ų | 37 | 60.8 Ų | 60.8 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -95.4 | -58 | -173.8 | -51 | 172.1 | 0 | 0 | 0 | 111.8 | L323 M326 V327 A330 | L323-I383 HydrophobicContact CB-CD1 4.21Å; L323-I383 HydrophobicContact CD2-CD1 3.71Å; L323-I383 WeakPolarHBondContact O-CD1 3.42Å; M326-I383 HydrophobicContact CB-CD1 3.55Å; V327-I383 HydrophobicContact CG2-CD1 3.58Å; V327-I383 HydrophobicContact CG2-CG1 3.79Å; V327-I383 HydrophobicContact CG2-CG2 4.45Å; A330-I383 HydrophobicContact CB-CG2 4.39Å |
| 384 | F | 58.3 | Low | 61.7 | Low | 12 Ų | 12 | 64.5 Ų | 64.5 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -112.1 | 93.6 | -178.4 | -58.9 | -70.1 | 0 | 0 | 0 | 110.9 | M326 A330 I333 T334 Y340 K404 | M326-F384 HydrophobicContact CB-CE2 4.28Å; M326-F384 HydrophobicContact CE-CD2 3.94Å; M326-F384 HydrophobicContact CE-CE2 4.05Å; A330-F384 HydrophobicContact CB-CE1 4.34Å; A330-F384 HydrophobicContact CB-CZ 4.17Å; I333-F384 HydrophobicContact CB-CE1 3.95Å; I333-F384 HydrophobicContact CB-CZ 3.69Å; I333-F384 HydrophobicContact CD1-CE2 4.24Å; I333-F384 HydrophobicContact CD1-CZ 3.82Å; I333-F384 HydrophobicContact CG1-CZ 4.36Å; I333-F384 HydrophobicContact CG2-CD1 4.08Å; I333-F384 HydrophobicContact CG2-CE1 3.3Å; I333-F384 HydrophobicContact CG2-CE2 3.89Å; I333-F384 HydrophobicContact CG2-CZ 3.19Å; T334-F384 HydrophobicContact CG2-CD1 4.44Å; T334-F384 HydrophobicContact CG2-CE1 4.16Å; Y340-F384 HydrophobicContact CD2-CD2 4.24Å; Y340-F384 AromaticContact CD2-CE2 3.88Å; Y340-F384 HydrophobicContact CD2-CE2 3.88Å; Y340-F384 HydrophobicContact CD2-CZ 4.41Å; Y340-F384 AromaticContact CE2-CD2 3.48Å; Y340-F384 HydrophobicContact CE2-CD2 3.48Å; Y340-F384 VanDerWaalsContact CE2-CD2 3.48Å; Y340-F384 AromaticContact CE2-CE2 3.44Å; Y340-F384 HydrophobicContact CE2-CE2 3.44Å; Y340-F384 VanDerWaalsContact CE2-CE2 3.44Å; Y340-F384 HydrophobicContact CE2-CG 4.42Å; Y340-F384 HydrophobicContact CE2-CZ 4.36Å; F384-K404 HydrophobicContact CB-CB 3.94Å; F384-K404 WeakPolarHBondContact O-CB 3.46Å; F384-K404 PolarHBondContact O-N 3.35Å |
| 385 | K | 58.2 | Low | 59.6 | Low | 113 Ų | 113 | 69.2 Ų | 69.2 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.4 | -177.8 | -67.1 | 177.6 | -178.6 | 175.4 | 0 | 111.5 | A381 P401 E402 | A381-K385 WeakPolarHBondContact O-CE 3.4Å; A381-K385 WeakPolarHBondContact O-CG 3.39Å; K385-P401 HydrophobicContact CB-CB 3.9Å; K385-P401 HydrophobicContact CD-CB 3.84Å; K385-P401 HydrophobicContact CD-CG 4.04Å; K385-P401 HydrophobicContact CG-CB 3.76Å; K385-P401 HydrophobicContact CG-CG 4.35Å; K385-E402 CarbonylContact C-O 3.6Å |
| 386 | L | 53.6 | Low | 57.5 | Low | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 113.2 | 162.7 | -179.4 | 66.3 | 0 | 0 | 0 | 107.5 | L388 E402 K404 V450 | L386-L388 HydrophobicContact CD2-CD2 4.08Å; L386-L388 HydrophobicContact CD2-CG 4.39Å; L386-L388 HydrophobicContact CG-CD2 4.24Å; L386-L388 HydrophobicContact CG-CG 4.39Å; L386-E402 PolarHBondContact N-O 2.76Å; L386-E402 PolarHBondContact O-N 3.35Å; L386-K404 HydrophobicContact CB-CB 4.17Å; L386-K404 HydrophobicContact CB-CG 4.39Å; L386-V450 HydrophobicContact CD2-CG1 3.94Å; L386-V450 HydrophobicContact CD2-CG2 4.46Å |
| 387 | E | 56.8 | Low | 55.7 | Low | 138 Ų | 138 | 70.4 Ų | 70.4 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | trans | -93.4 | 111.8 | 170.8 | -66.1 | -169.9 | 168.6 | 0 | 0 | 108.5 | P389 | E387-P389 WeakPolarHBondContact O-CD 3.39Š| ||
| 388 | L | 55.3 | Low | 53.8 | Low | 7 Ų | 7 | 80.3 Ų | 80.3 | 4% | 0.037 | 43% | 0.434 | C | S | . | . | trans | -85.4 | 117 | 173.6 | -68.1 | 174.3 | 0 | 0 | 0 | 108.8 | L386 M390 T399 N705 I708 V709 | L386-L388 HydrophobicContact CD2-CD2 4.08Å; L386-L388 HydrophobicContact CD2-CG 4.39Å; L386-L388 HydrophobicContact CG-CD2 4.24Å; L386-L388 HydrophobicContact CG-CG 4.39Å; L388-M390 PolarHBondContact O-N 3.38Å; L388-T399 PolarHBondContact O-OG1 3.16Å; L388-N705 HydrophobicContact CD2-CB 3.59Å; L388-I708 HydrophobicContact CD1-CG2 4.42Å; L388-V709 HydrophobicContact CB-CG2 3.72Å; L388-V709 HydrophobicContact CD1-CG2 4.13Å; L388-V709 HydrophobicContact CG-CG2 4.38Å | ||
| 389 | P | 52.4 | Low | 52.4 | Low | 44 Ų | 44 | 82 Ų | 82 | 29% | 0.286 | 44% | 0.444 | S | S | . | . | trans | -67.8 | 128.4 | 180 | 0.7 | 9.1 | 0 | 0 | 0 | 110.8 | E387 E706 | E387-P389 WeakPolarHBondContact O-CD 3.39Å; P389-E706 HydrophobicContact CG-CG 4.43Å | ||
| 390 | M | 45.3 | Very low | 51.1 | Low | 53 Ų | 53 | 87.3 Ų | 87.3 | 26% | 0.261 | 47% | 0.469 | S | S | . | . | trans | -102.5 | 93.1 | 162 | -96.9 | -174.3 | 163.8 | 0 | 0 | 108.4 | L388 Q392 T399 V709 I713 M753 | L388-M390 PolarHBondContact O-N 3.38Å; M390-Q392 PolarHBondContact O-N 3.2Å; M390-T399 HydrophobicContact CB-CG2 4.22Å; M390-T399 HydrophobicContact CG-CG2 4.08Å; M390-T399 HydrophobicContact SD-CG2 4.07Å; M390-V709 HydrophobicContact CE-CG1 3.83Å; M390-V709 HydrophobicContact CG-CG1 3.82Å; M390-I713 HydrophobicContact CE-CD1 4.27Å; M390-M753 HydrophobicContact CE-CE 4.28Å | ||
| 391 | K | 44.6 | Very low | 50.2 | Low | 162 Ų | 162 | 87.3 Ų | 87.3 | 70% | 0.704 | 47% | 0.471 | S | S | * | . | trans | -86.3 | 90.4 | 165.7 | -75.7 | -179.4 | -173.5 | 156.3 | 0 | 109.3 | E706 | K391-E706 IonicContact NZ-OE1 3.47Š| ||
| 392 | Q | 44.4 | Very low | 50.5 | Low | 165 Ų | 165 | 87 Ų | 87 | 77% | 0.771 | 46% | 0.464 | S | S | * | . | trans | -91.8 | 134.1 | 146.1 | -92.7 | -174 | -7.4 | 0 | 0 | 107.8 | M390 G394 | M390-Q392 PolarHBondContact O-N 3.2Å; Q392-G394 PolarHBondContact O-N 3.34Å | ||
| 393 | K | 37 | Very low | 51 | Low | 223 Ų | 223 | 82.9 Ų | 82.9 | 97% | 0.97 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 109 | 174.5 | -77.5 | -179.4 | 174.3 | 179.2 | 0 | 109.1 | ||
| 394 | G | 40.3 | Very low | 51.9 | Low | 78 Ų | 78 | 83.2 Ų | 83.2 | 80% | 0.804 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.5 | -13.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | Q392 | Q392-G394 PolarHBondContact O-N 3.34Š|
| 395 | V | 38 | Very low | 53 | Low | 100 Ų | 100 | 82.7 Ų | 82.7 | 61% | 0.606 | 44% | 0.438 | S | S | * | . | trans | -140.5 | 119.3 | 176.7 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | M397 | V395-M397 VanDerWaalsContact C-N 3.33Å; V395-M397 HydrophobicContact CB-CG 4.37Å; V395-M397 HydrophobicContact CB-SD 4.22Å; V395-M397 HydrophobicContact CG1-CG 3.97Å; V395-M397 HydrophobicContact CG1-SD 4.25Å; V395-M397 PolarHBondContact O-N 3.21Å | ||
| 396 | G | 41.3 | Very low | 54.3 | Low | 86 Ų | 86 | 77.4 Ų | 77.4 | 89% | 0.887 | 42% | 0.415 | S | S | * | . | trans | -64.6 | 90.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 397 | M | 46.2 | Very low | 55.8 | Low | 68 Ų | 68 | 77.5 Ų | 77.5 | 34% | 0.335 | 42% | 0.415 | S | S | . | . | trans | -101.9 | 113 | 179.3 | -81.1 | 160.2 | 78.2 | 0 | 0 | 109.9 | V395 T399 K752 | V395-M397 VanDerWaalsContact C-N 3.33Å; V395-M397 HydrophobicContact CB-CG 4.37Å; V395-M397 HydrophobicContact CB-SD 4.22Å; V395-M397 HydrophobicContact CG1-CG 3.97Å; V395-M397 HydrophobicContact CG1-SD 4.25Å; V395-M397 PolarHBondContact O-N 3.21Å; M397-T399 PolarHBondContact O-N 2.96Å; M397-K752 VanDerWaalsContact CE-CE 3.46Å | ||
| 398 | K | 42.1 | Very low | 57 | Low | 207 Ų | 207 | 71.5 Ų | 71.5 | 90% | 0.9 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 119.7 | 169.4 | -64 | -176.4 | 178.4 | -176.6 | 0 | 109.2 | ||
| 399 | T | 50.1 | Low | 58.6 | Low | 35 Ų | 35 | 71.1 Ų | 71.1 | 22% | 0.215 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 153.8 | 169.2 | 37 | 0 | 0 | 0 | 0 | 110 | L388 M390 M397 | L388-T399 PolarHBondContact O-OG1 3.16Å; M390-T399 HydrophobicContact CB-CG2 4.22Å; M390-T399 HydrophobicContact CG-CG2 4.08Å; M390-T399 HydrophobicContact SD-CG2 4.07Å; M397-T399 PolarHBondContact O-N 2.96Å |
| 400 | Q | 53.7 | Low | 60.3 | Low | 143 Ų | 143 | 69 Ų | 69 | 67% | 0.668 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 132.7 | 171.2 | -75.6 | -72.7 | -11 | 0 | 0 | 108.8 | E402 | Q400-E402 PolarHBondContact O-N 2.93Š|
| 401 | P | 57.7 | Low | 62.2 | Low | 36 Ų | 36 | 68.3 Ų | 68.3 | 23% | 0.234 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 133.8 | 179.8 | 26.1 | -31.6 | 0 | 0 | 0 | 110.1 | A381 K385 | A381-P401 WeakPolarHBondContact CB-O 3.27Å; K385-P401 HydrophobicContact CB-CB 3.9Å; K385-P401 HydrophobicContact CD-CB 3.84Å; K385-P401 HydrophobicContact CD-CG 4.04Å; K385-P401 HydrophobicContact CG-CB 3.76Å; K385-P401 HydrophobicContact CG-CG 4.35Å |
| 402 | E | 69.8 | Low | 64.3 | Low | 17 Ų | 17 | 60.6 Ų | 60.6 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 163.7 | 174.6 | -63.3 | -172.5 | 176.6 | 0 | 0 | 110.3 | K385 L386 Q400 K404 N447 R712 Q750 | K385-E402 CarbonylContact C-O 3.6Å; L386-E402 PolarHBondContact N-O 2.76Å; L386-E402 PolarHBondContact O-N 3.35Å; Q400-E402 PolarHBondContact O-N 2.93Å; E402-K404 PolarHBondContact O-N 2.8Å; E402-N447 PolarHBondContact OE2-ND2 3.01Å; E402-R712 IonicContact OE1-CZ 2.72Å; E402-R712 IonicContact OE1-NH1 3.94Å; E402-R712 PolarHBondContact OE1-NH1 2.71Å; E402-R712 IonicContact OE2-CZ 3.32Å; E402-R712 IonicContact OE2-NH1 2.94Å; E402-R712 PolarHBondContact OE2-NH1 2.87Å; E402-R712 IonicContact OE2-NH2 3.93Å; E402-R712 PolarHBondContact OE2-NH2 3.05Å; E402-Q750 PolarHBondContact OE1-NE2 3.25Å |
| 403 | S | 69.4 | Low | 66.4 | Low | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 131.5 | 173.6 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | V378 C405 P406 | V378-S403 PolarHBondContact O-OG 3.46Å; S403-C405 PolarHBondContact O-N 2.73Å; S403-C405 WeakPolarHBondContact OG-CB 3.45Å; S403-C405 PolarHBondContact OG-N 3.37Å; S403-C405 VanDerWaalsContact OG-N 3.15Å; S403-P406 WeakPolarHBondContact O-CD 3.39Å |
| 404 | K | 76.4 | Confident | 68.9 | Low | 44 Ų | 44 | 42.8 Ų | 42.8 | 19% | 0.191 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -77.1 | -5.8 | 172.3 | -160.4 | 177.5 | 179.2 | 177.7 | 0 | 112.8 | F384 L386 E402 P406 E407 L408 | F384-K404 HydrophobicContact CB-CB 3.94Å; F384-K404 WeakPolarHBondContact O-CB 3.46Å; F384-K404 PolarHBondContact O-N 3.35Å; L386-K404 HydrophobicContact CB-CB 4.17Å; L386-K404 HydrophobicContact CB-CG 4.39Å; E402-K404 PolarHBondContact O-N 2.8Å; K404-P406 VanDerWaalsContact C-N 3.35Å; K404-E407 WeakPolarHBondContact CE-OE2 3.11Å; K404-E407 HydrophobicContact CG-CB 4.29Å; K404-E407 WeakPolarHBondContact CG-OE2 3.49Å; K404-E407 PolarHBondContact O-N 2.83Å; K404-E407 VanDerWaalsContact O-N 3.14Å; K404-L408 HydrophobicContact CG-CG 4.33Å; K404-L408 PolarHBondContact O-N 2.98Å; K404-L408 VanDerWaalsContact O-N 3.12Å |
| 405 | C | 80.1 | Confident | 71 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -49.3 | -45.2 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 113.9 | Y340 V378 S403 E407 L408 L409 | Y340-C405 HydrophobicContact CE1-CB 4.21Å; Y340-C405 WeakPolarHBondContact OH-CB 3.46Å; V378-C405 WeakPolarHBondContact O-CB 3.3Å; S403-C405 PolarHBondContact O-N 2.73Å; S403-C405 WeakPolarHBondContact OG-CB 3.45Å; S403-C405 PolarHBondContact OG-N 3.37Å; S403-C405 VanDerWaalsContact OG-N 3.15Å; C405-E407 VanDerWaalsContact C-N 3.34Å; C405-E407 PolarHBondContact O-N 3.43Å; C405-L408 PolarHBondContact O-N 2.91Å; C405-L409 VanDerWaalsContact O-CG 3.27Å; C405-L409 WeakPolarHBondContact O-CG 3.18Å; C405-L409 PolarHBondContact O-N 2.7Å |
| 406 | P | 85.5 | Confident | 73.3 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -36.4 | -178.8 | -18.1 | 31.1 | 0 | 0 | 0 | 113.4 | S403 K404 A410 V445 V450 F451 | S403-P406 WeakPolarHBondContact O-CD 3.39Å; K404-P406 VanDerWaalsContact C-N 3.35Å; P406-A410 PolarHBondContact O-N 3.44Å; P406-A410 VanDerWaalsContact O-N 3.13Å; P406-V445 HydrophobicContact CB-CG1 4.16Å; P406-V445 HydrophobicContact CG-CG1 3.63Å; P406-V450 HydrophobicContact CB-CB 3.94Å; P406-V450 HydrophobicContact CB-CG1 4.04Å; P406-V450 HydrophobicContact CG-CB 4.48Å; P406-F451 HydrophobicContact CB-CB 4.05Å |
| 407 | E | 84.7 | Confident | 75.6 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -46.3 | 175.2 | -175.8 | -163.5 | 149.8 | 0 | 0 | 110.5 | K404 C405 L409 A410 N411 Y454 | K404-E407 WeakPolarHBondContact CE-OE2 3.11Å; K404-E407 HydrophobicContact CG-CB 4.29Å; K404-E407 WeakPolarHBondContact CG-OE2 3.49Å; K404-E407 PolarHBondContact O-N 2.83Å; K404-E407 VanDerWaalsContact O-N 3.14Å; C405-E407 VanDerWaalsContact C-N 3.34Å; C405-E407 PolarHBondContact O-N 3.43Å; E407-L409 VanDerWaalsContact C-N 3.34Å; E407-L409 PolarHBondContact O-N 3.12Å; E407-A410 PolarHBondContact O-N 2.9Å; E407-N411 VanDerWaalsContact O-CG 3.27Å; E407-N411 PolarHBondContact O-N 2.97Å; E407-N411 PolarHBondContact O-ND2 3.32Å; E407-Y454 HydrophobicContact CB-CD2 4.32Å; E407-Y454 HydrophobicContact CB-CE2 4.31Å; E407-Y454 HydrophobicContact CG-CD1 4.1Å; E407-Y454 HydrophobicContact CG-CD2 4.1Å; E407-Y454 HydrophobicContact CG-CE1 3.93Å; E407-Y454 HydrophobicContact CG-CE2 3.96Å; E407-Y454 HydrophobicContact CG-CG 4.19Å |
| 408 | L | 83.1 | Confident | 77.5 | Confident | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 179.9 | -65.5 | 175.6 | 0 | 0 | 0 | 112 | Y340 K404 C405 N411 Y412 | Y340-L408 HydrophobicContact CD1-CB 3.81Å; Y340-L408 HydrophobicContact CD1-CD1 3.62Å; Y340-L408 HydrophobicContact CD1-CG 4.36Å; Y340-L408 HydrophobicContact CD2-CD1 4.28Å; Y340-L408 HydrophobicContact CE1-CB 4.11Å; Y340-L408 HydrophobicContact CE1-CD1 3.74Å; Y340-L408 HydrophobicContact CE2-CD1 4.36Å; Y340-L408 HydrophobicContact CG-CD1 3.88Å; K404-L408 HydrophobicContact CG-CG 4.33Å; K404-L408 PolarHBondContact O-N 2.98Å; K404-L408 VanDerWaalsContact O-N 3.12Å; C405-L408 PolarHBondContact O-N 2.91Å; L408-N411 PolarHBondContact O-N 3.14Å; L408-Y412 WeakPolarHBondContact O-CB 3.47Å; L408-Y412 PolarHBondContact O-N 3.35Å |
| 409 | L | 87.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 173.6 | -68.3 | 169.5 | 0 | 0 | 0 | 111.2 | V341 C405 E407 N411 Y412 C413 V438 V441 V445 F451 | V341-L409 HydrophobicContact CG1-CD2 4.12Å; V341-L409 HydrophobicContact CG2-CD2 3.7Å; C405-L409 VanDerWaalsContact O-CG 3.27Å; C405-L409 WeakPolarHBondContact O-CG 3.18Å; C405-L409 PolarHBondContact O-N 2.7Å; E407-L409 VanDerWaalsContact C-N 3.34Å; E407-L409 PolarHBondContact O-N 3.12Å; L409-N411 PolarHBondContact O-N 3.28Å; L409-Y412 PolarHBondContact O-N 2.9Å; L409-C413 PolarHBondContact O-N 3.22Å; L409-C413 PolarHBondContact O-SG 3.26Å; L409-C413 VanDerWaalsContact O-SG 3.39Å; L409-V438 HydrophobicContact CB-CG1 4.37Å; L409-V438 HydrophobicContact CD2-CG1 4.03Å; L409-V441 HydrophobicContact CD1-CG1 4.1Å; L409-V441 HydrophobicContact CD2-CG1 4.33Å; L409-V445 HydrophobicContact CD1-CG2 3.92Å; L409-F451 HydrophobicContact CB-CD2 3.98Å; L409-F451 HydrophobicContact CB-CE2 4.1Å |
| 410 | A | 89.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P406 E407 C413 D414 F451 H455 | P406-A410 PolarHBondContact O-N 3.44Å; P406-A410 VanDerWaalsContact O-N 3.13Å; E407-A410 PolarHBondContact O-N 2.9Å; A410-C413 PolarHBondContact O-N 3.46Å; A410-D414 PolarHBondContact O-N 3.27Å; A410-F451 HydrophobicContact CB-CD2 3.76Å; A410-F451 HydrophobicContact CB-CE2 4Å; A410-F451 HydrophobicContact CB-CG 4.42Å; A410-H455 HydrophobicContact CB-CB 4.42Å |
| 411 | N | 85.9 | Confident | 81.7 | Confident | 37 Ų | 37 | 25.7 Ų | 25.7 | 20% | 0.198 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -40 | 175.4 | -69.5 | -23 | 0 | 0 | 0 | 111.9 | E407 L408 L409 D414 M415 H458 | E407-N411 VanDerWaalsContact O-CG 3.27Å; E407-N411 PolarHBondContact O-N 2.97Å; E407-N411 PolarHBondContact O-ND2 3.32Å; L408-N411 PolarHBondContact O-N 3.14Å; L409-N411 PolarHBondContact O-N 3.28Å; N411-D414 WeakPolarHBondContact O-CB 3.41Å; N411-D414 PolarHBondContact O-N 3.39Å; N411-M415 WeakPolarHBondContact O-CG 3.27Å; N411-M415 PolarHBondContact O-N 2.92Å; N411-H458 PolarHBondContact OD1-NE2 3.18Å |
| 412 | Y | 87.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 176 | -177.8 | -116.6 | 0 | 0 | 0 | 112 | E338 V341 L408 L409 D414 M415 L416 L422 V438 | E338-Y412 HydrophobicContact CB-CD2 4.04Å; E338-Y412 HydrophobicContact CB-CE2 3.85Å; E338-Y412 HydrophobicContact CG-CE2 3.91Å; V341-Y412 HydrophobicContact CB-CD1 3.8Å; V341-Y412 HydrophobicContact CB-CE1 4.04Å; V341-Y412 HydrophobicContact CB-CG 4.07Å; V341-Y412 HydrophobicContact CG1-CD1 3.59Å; V341-Y412 HydrophobicContact CG1-CE1 3.64Å; V341-Y412 HydrophobicContact CG1-CG 4.36Å; V341-Y412 HydrophobicContact CG2-CD1 3.93Å; V341-Y412 HydrophobicContact CG2-CG 3.93Å; L408-Y412 WeakPolarHBondContact O-CB 3.47Å; L408-Y412 PolarHBondContact O-N 3.35Å; L409-Y412 PolarHBondContact O-N 2.9Å; Y412-D414 VanDerWaalsContact C-N 3.31Å; Y412-D414 PolarHBondContact O-N 2.91Å; Y412-M415 WeakPolarHBondContact O-CB 3.31Å; Y412-M415 PolarHBondContact O-N 3.37Å; Y412-M415 VanDerWaalsContact O-N 3.14Å; Y412-L416 HydrophobicContact CD1-CD1 4.13Å; Y412-L416 HydrophobicContact CE1-CD1 3.68Å; Y412-L416 HydrophobicContact CE1-CG 4.39Å; Y412-L416 HydrophobicContact CE2-CD2 4.48Å; Y412-L416 HydrophobicContact CE2-CG 4.38Å; Y412-L416 PolarHBondContact O-N 2.62Å; Y412-L416 VanDerWaalsContact O-N 3.1Å; Y412-L422 HydrophobicContact CE2-CD2 4.4Å; Y412-V438 HydrophobicContact CD1-CG2 3.68Å; Y412-V438 HydrophobicContact CE1-CG2 3.8Å |
| 413 | C | 90.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.7 | -43.3 | 170.7 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | L409 A410 M415 L416 L417 L435 | L409-C413 PolarHBondContact O-N 3.22Å; L409-C413 PolarHBondContact O-SG 3.26Å; L409-C413 VanDerWaalsContact O-SG 3.39Å; A410-C413 PolarHBondContact O-N 3.46Å; C413-M415 VanDerWaalsContact C-N 3.32Å; C413-M415 PolarHBondContact O-N 3.48Å; C413-L416 PolarHBondContact O-N 3.16Å; C413-L417 WeakPolarHBondContact O-CB 3.15Å; C413-L417 VanDerWaalsContact O-CG 3.25Å; C413-L417 WeakPolarHBondContact O-CG 3.46Å; C413-L417 PolarHBondContact O-N 3.46Å; C413-L435 HydrophobicContact CB-CD2 4.26Å |
| 414 | D | 87.7 | Confident | 83.4 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 8% | 0.075 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 176 | -176.4 | 67.3 | 0 | 0 | 0 | 112.4 | A410 N411 Y412 L416 L417 R418 H458 R462 | A410-D414 PolarHBondContact O-N 3.27Å; N411-D414 WeakPolarHBondContact O-CB 3.41Å; N411-D414 PolarHBondContact O-N 3.39Å; Y412-D414 VanDerWaalsContact C-N 3.31Å; Y412-D414 PolarHBondContact O-N 2.91Å; D414-L416 VanDerWaalsContact C-N 3.33Å; D414-L416 PolarHBondContact O-N 3.21Å; D414-L417 PolarHBondContact O-N 3.42Å; D414-R418 WeakPolarHBondContact O-CB 3.41Å; D414-R418 PolarHBondContact O-N 3.16Å; D414-R418 IonicContact OD2-NH1 3.22Å; D414-R418 PolarHBondContact OD2-NH1 3.04Å; D414-H458 HydrophobicContact CB-CB 4.02Å; D414-H458 IonicContact OD1-CG 3.3Å; D414-R462 WeakPolarHBondContact OD1-CD 3.33Å; D414-R462 IonicContact OD1-CZ 3.52Å; D414-R462 IonicContact OD1-NE 3.4Å; D414-R462 IonicContact OD1-NH1 2.76Å; D414-R462 PolarHBondContact OD1-NH1 3.1Å |
| 415 | M | 85.2 | Confident | 83.8 | Confident | 46 Ų | 46 | 38.5 Ų | 38.5 | 23% | 0.227 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -38 | 177.8 | -73.7 | 179.3 | 56.8 | 0 | 0 | 113 | S337 E338 N411 Y412 C413 T420 L422 | S337-M415 PolarHBondContact OG-SD 3.14Å; S337-M415 VanDerWaalsContact OG-SD 3.34Å; E338-M415 HydrophobicContact CB-CE 4.33Å; N411-M415 WeakPolarHBondContact O-CG 3.27Å; N411-M415 PolarHBondContact O-N 2.92Å; Y412-M415 WeakPolarHBondContact O-CB 3.31Å; Y412-M415 PolarHBondContact O-N 3.37Å; Y412-M415 VanDerWaalsContact O-N 3.14Å; C413-M415 VanDerWaalsContact C-N 3.32Å; C413-M415 PolarHBondContact O-N 3.48Å; M415-T420 VanDerWaalsContact O-CG2 3.31Å; M415-T420 WeakPolarHBondContact O-CG2 3.45Å; M415-T420 PolarHBondContact O-OG1 2.99Å; M415-L422 HydrophobicContact CE-CD2 4.24Å |
| 416 | L | 87.1 | Confident | 84 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.6 | -41.8 | 176.4 | -67.7 | 177.4 | 0 | 0 | 0 | 112 | Y412 C413 D414 L422 S423 L426 I431 K434 L435 | Y412-L416 HydrophobicContact CD1-CD1 4.13Å; Y412-L416 HydrophobicContact CE1-CD1 3.68Å; Y412-L416 HydrophobicContact CE1-CG 4.39Å; Y412-L416 HydrophobicContact CE2-CD2 4.48Å; Y412-L416 HydrophobicContact CE2-CG 4.38Å; Y412-L416 PolarHBondContact O-N 2.62Å; Y412-L416 VanDerWaalsContact O-N 3.1Å; C413-L416 PolarHBondContact O-N 3.16Å; D414-L416 VanDerWaalsContact C-N 3.33Å; D414-L416 PolarHBondContact O-N 3.21Å; L416-L422 HydrophobicContact CD2-CD2 4.07Å; L416-S423 WeakPolarHBondContact O-CB 3.28Å; L416-L426 HydrophobicContact CD2-CD1 3.95Å; L416-I431 HydrophobicContact CB-CG2 4.32Å; L416-K434 HydrophobicContact CD1-CB 4.01Å; L416-K434 HydrophobicContact CD2-CD 4.46Å; L416-L435 HydrophobicContact CB-CD2 4.47Å; L416-L435 HydrophobicContact CD1-CD2 4.02Å; L416-L435 HydrophobicContact CD1-CG 4.26Å |
| 417 | L | 88.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -80.9 | -16.5 | -175.8 | -67.2 | 169.2 | 0 | 0 | 0 | 113.7 | C413 D414 L435 S468 A469 I473 E474 M477 | C413-L417 WeakPolarHBondContact O-CB 3.15Å; C413-L417 VanDerWaalsContact O-CG 3.25Å; C413-L417 WeakPolarHBondContact O-CG 3.46Å; C413-L417 PolarHBondContact O-N 3.46Å; D414-L417 PolarHBondContact O-N 3.42Å; L417-L435 HydrophobicContact CD2-CD1 3.77Å; L417-L435 HydrophobicContact CG-CD1 4.37Å; L417-L435 HydrophobicContact CG-CD2 4.5Å; L417-S468 CarbonylContact O-C 3.51Å; L417-S468 WeakPolarHBondContact O-CA 3.43Å; L417-A469 WeakPolarHBondContact O-CB 3.19Å; L417-A469 PolarHBondContact O-N 3.02Å; L417-I473 HydrophobicContact CD2-CB 4.49Å; L417-I473 HydrophobicContact CD2-CG2 3.66Å; L417-E474 HydrophobicContact CD2-CG 4.32Å; L417-M477 HydrophobicContact CD1-CG 4.39Å |
| 418 | R | 85.8 | Confident | 84.3 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 25% | 0.249 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -93.6 | 154.1 | 175.4 | -172.6 | 177.4 | 79.8 | -155.2 | 8.2 | 111.1 | D414 T420 S423 I467 | D414-R418 WeakPolarHBondContact O-CB 3.41Å; D414-R418 PolarHBondContact O-N 3.16Å; D414-R418 IonicContact OD2-NH1 3.22Å; D414-R418 PolarHBondContact OD2-NH1 3.04Å; R418-T420 HydrophobicContact CB-CG2 4.02Å; R418-T420 HydrophobicContact CG-CG2 4.29Å; R418-T420 PolarHBondContact O-N 3.34Å; R418-S423 WeakPolarHBondContact O-CB 3.48Å; R418-S423 PolarHBondContact O-OG 3.19Å; R418-I467 HydrophobicContact CG-CB 4.34Å; R418-I467 HydrophobicContact CG-CD1 4.2Å; R418-I467 HydrophobicContact CG-CG1 4.29Å |
| 419 | K | 79.4 | Confident | 84.6 | Confident | 127 Ų | 127 | 53.1 Ų | 53.1 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -65.1 | 65.4 | 170.2 | -64.1 | 178.7 | -178.1 | 160.2 | 0 | 113.5 | I467 S468 A469 | K419-I467 PolarHBondContact N-O 2.94Å; K419-S468 WeakPolarHBondContact CE-O 3.22Å; K419-A469 HydrophobicContact CG-CB 4.33Å |
| 420 | T | 78.3 | Confident | 84.6 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | trans | -90.5 | 165.8 | 177.8 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | M415 R418 L422 S423 K424 | M415-T420 VanDerWaalsContact O-CG2 3.31Å; M415-T420 WeakPolarHBondContact O-CG2 3.45Å; M415-T420 PolarHBondContact O-OG1 2.99Å; R418-T420 HydrophobicContact CB-CG2 4.02Å; R418-T420 HydrophobicContact CG-CG2 4.29Å; R418-T420 PolarHBondContact O-N 3.34Å; T420-L422 PolarHBondContact O-N 3.21Å; T420-L422 PolarHBondContact OG1-N 3.29Å; T420-S423 PolarHBondContact N-OG 3.41Å; T420-S423 PolarHBondContact O-OG 3.43Å; T420-S423 PolarHBondContact OG1-N 3.36Å; T420-S423 VanDerWaalsContact OG1-N 3.17Å; T420-S423 PolarHBondContact OG1-OG 3Å; T420-K424 WeakPolarHBondContact O-CB 3.48Å; T420-K424 VanDerWaalsContact O-CG 3.29Å; T420-K424 WeakPolarHBondContact O-CG 3.31Å; T420-K424 PolarHBondContact O-N 3.45Å; T420-K424 VanDerWaalsContact O-N 3.15Å | ||
| 421 | P | 76.8 | Confident | 84.6 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.5 | 169.9 | -24.4 | 35.2 | 0 | 0 | 0 | 113.6 | K425 | P421-K425 WeakPolarHBondContact O-CG 3.31Š|
| 422 | L | 74.8 | Confident | 84.8 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 12% | 0.12 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -53.7 | 178.4 | 179.5 | 65.5 | 0 | 0 | 0 | 111.3 | E338 Y412 M415 L416 T420 K424 K425 L426 | E338-L422 HydrophobicContact CG-CD2 4.26Å; E338-L422 WeakPolarHBondContact OE1-CD1 3.32Å; E338-L422 WeakPolarHBondContact OE2-CD2 3.39Å; Y412-L422 HydrophobicContact CE2-CD2 4.4Å; M415-L422 HydrophobicContact CE-CD2 4.24Å; L416-L422 HydrophobicContact CD2-CD2 4.07Å; T420-L422 PolarHBondContact O-N 3.21Å; T420-L422 PolarHBondContact OG1-N 3.29Å; L422-K424 PolarHBondContact O-N 3.38Å; L422-K425 WeakPolarHBondContact O-CB 3.5Å; L422-K425 PolarHBondContact O-N 3.24Å; L422-L426 HydrophobicContact CD1-CD1 4.46Å; L422-L426 HydrophobicContact CG-CD1 4.34Å |
| 423 | S | 77.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -63.6 | -28.1 | 179.4 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | L416 R418 T420 K425 L426 | L416-S423 WeakPolarHBondContact O-CB 3.28Å; R418-S423 WeakPolarHBondContact O-CB 3.48Å; R418-S423 PolarHBondContact O-OG 3.19Å; T420-S423 PolarHBondContact N-OG 3.41Å; T420-S423 PolarHBondContact O-OG 3.43Å; T420-S423 PolarHBondContact OG1-N 3.36Å; T420-S423 VanDerWaalsContact OG1-N 3.17Å; T420-S423 PolarHBondContact OG1-OG 3Å; S423-K425 PolarHBondContact O-N 3.24Å; S423-L426 PolarHBondContact O-N 2.94Å; S423-L426 VanDerWaalsContact O-O 3.14Å |
| 424 | K | 80.7 | Confident | 84.8 | Confident | 166 Ų | 166 | 65.9 Ų | 65.9 | 72% | 0.722 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -67.8 | -18.2 | 172.1 | -74 | -178.5 | -177.1 | -168.6 | 0 | 114.6 | T420 L422 | T420-K424 WeakPolarHBondContact O-CB 3.48Å; T420-K424 VanDerWaalsContact O-CG 3.29Å; T420-K424 WeakPolarHBondContact O-CG 3.31Å; T420-K424 PolarHBondContact O-N 3.45Å; T420-K424 VanDerWaalsContact O-N 3.15Å; L422-K424 PolarHBondContact O-N 3.38Å |
| 425 | K | 84.4 | Confident | 84.9 | Confident | 175 Ų | 175 | 65.2 Ų | 65.2 | 76% | 0.761 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -90.6 | -16.7 | 177.4 | -72.1 | 176.5 | -178.8 | -175.7 | 0 | 112.9 | P421 L422 S423 | P421-K425 WeakPolarHBondContact O-CG 3.31Å; L422-K425 WeakPolarHBondContact O-CB 3.5Å; L422-K425 PolarHBondContact O-N 3.24Å; S423-K425 PolarHBondContact O-N 3.24Å |
| 426 | L | 84.9 | Confident | 85.2 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -104.6 | 152.6 | -174.8 | -62.6 | 170.4 | 0 | 0 | 0 | 110 | L416 L422 S423 E430 I431 K434 | L416-L426 HydrophobicContact CD2-CD1 3.95Å; L422-L426 HydrophobicContact CD1-CD1 4.46Å; L422-L426 HydrophobicContact CG-CD1 4.34Å; S423-L426 PolarHBondContact O-N 2.94Å; S423-L426 VanDerWaalsContact O-O 3.14Å; L426-E430 VanDerWaalsContact CA-OE2 3.3Å; L426-E430 WeakPolarHBondContact CA-OE2 3.4Å; L426-E430 HydrophobicContact CB-CB 4.32Å; L426-E430 HydrophobicContact CD2-CB 4.38Å; L426-E430 WeakPolarHBondContact CD2-OE2 3.47Å; L426-I431 HydrophobicContact CB-CD1 4.32Å; L426-I431 HydrophobicContact CB-CG1 3.88Å; L426-I431 HydrophobicContact CD1-CG1 4.3Å; L426-K434 HydrophobicContact CD1-CD 4.19Å |
| 427 | T | 88.5 | Confident | 85.2 | Confident | 74 Ų | 74 | 70.7 Ų | 70.7 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | trans | -80 | 161.9 | 169.5 | 68.2 | 0 | 0 | 0 | 0 | 111 | E429 E430 I431 | T427-E429 PolarHBondContact O-N 3.44Å; T427-E430 PolarHBondContact N-OE2 2.71Å; T427-E430 PolarHBondContact O-N 2.97Å; T427-E430 VanDerWaalsContact OG1-CG 3.3Å; T427-E430 WeakPolarHBondContact OG1-CG 3.47Å; T427-E430 PolarHBondContact OG1-N 3.16Å; T427-I431 WeakPolarHBondContact O-CG1 3.41Å; T427-I431 PolarHBondContact O-N 2.92Å | ||
| 428 | S | 87 | Confident | 85.2 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.9 | -38.3 | 174.7 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | I431 E432 D470 | S428-I431 PolarHBondContact O-N 3.48Å; S428-E432 PolarHBondContact O-N 3.03Å; S428-D470 PolarHBondContact OG-OD2 2.91Å |
| 429 | E | 89.1 | Confident | 85.3 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 71% | 0.71 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.2 | -42 | 177 | -64.9 | 178.9 | -177.5 | 0 | 0 | 112.4 | T427 I431 E432 L433 | T427-E429 PolarHBondContact O-N 3.44Å; E429-I431 VanDerWaalsContact C-N 3.33Å; E429-I431 PolarHBondContact O-N 2.75Å; E429-E432 PolarHBondContact O-N 3.41Å; E429-L433 WeakPolarHBondContact O-CG 3.4Å; E429-L433 PolarHBondContact O-N 3.16Å |
| 430 | E | 88.8 | Confident | 85.5 | Confident | 87 Ų | 87 | 64.2 Ų | 64.2 | 41% | 0.407 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 176.3 | -73.3 | 172.1 | 161.4 | 0 | 0 | 111.9 | L426 T427 L433 K434 | L426-E430 VanDerWaalsContact CA-OE2 3.3Å; L426-E430 WeakPolarHBondContact CA-OE2 3.4Å; L426-E430 HydrophobicContact CB-CB 4.32Å; L426-E430 HydrophobicContact CD2-CB 4.38Å; L426-E430 WeakPolarHBondContact CD2-OE2 3.47Å; T427-E430 PolarHBondContact N-OE2 2.71Å; T427-E430 PolarHBondContact O-N 2.97Å; T427-E430 VanDerWaalsContact OG1-CG 3.3Å; T427-E430 WeakPolarHBondContact OG1-CG 3.47Å; T427-E430 PolarHBondContact OG1-N 3.16Å; E430-L433 PolarHBondContact O-N 2.98Å; E430-K434 WeakPolarHBondContact O-CG 3.3Å; E430-K434 PolarHBondContact O-N 2.97Å |
| 431 | I | 88.4 | Confident | 85.9 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 174.7 | -69.6 | 169.4 | 0 | 0 | 0 | 110 | L416 L426 T427 S428 E429 L433 K434 L435 I473 | L416-I431 HydrophobicContact CB-CG2 4.32Å; L426-I431 HydrophobicContact CB-CD1 4.32Å; L426-I431 HydrophobicContact CB-CG1 3.88Å; L426-I431 HydrophobicContact CD1-CG1 4.3Å; T427-I431 WeakPolarHBondContact O-CG1 3.41Å; T427-I431 PolarHBondContact O-N 2.92Å; S428-I431 PolarHBondContact O-N 3.48Å; E429-I431 VanDerWaalsContact C-N 3.33Å; E429-I431 PolarHBondContact O-N 2.75Å; I431-L433 PolarHBondContact O-N 3.33Å; I431-K434 PolarHBondContact O-N 3.44Å; I431-L435 HydrophobicContact CG2-CD1 3.84Å; I431-L435 HydrophobicContact CG2-CG 4.36Å; I431-L435 WeakPolarHBondContact O-CB 3.3Å; I431-L435 VanDerWaalsContact O-CG 3.26Å; I431-L435 WeakPolarHBondContact O-CG 3.41Å; I431-L435 PolarHBondContact O-N 3.36Å; I431-I473 HydrophobicContact CG2-CD1 4.23Å; I431-I473 HydrophobicContact CG2-CG2 4.47Å |
| 432 | E | 90.5 | Very high | 86.4 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 176 | 168.6 | 169.1 | -175.9 | 0 | 0 | 112.1 | S428 E429 L435 K436 W480 | S428-E432 PolarHBondContact O-N 3.03Å; E429-E432 PolarHBondContact O-N 3.41Å; E432-L435 PolarHBondContact O-N 3.28Å; E432-K436 HydrophobicContact CG-CD 4.28Å; E432-K436 WeakPolarHBondContact O-CG 3.44Å; E432-K436 PolarHBondContact O-N 3.06Å; E432-K436 WeakPolarHBondContact OE1-CE 3.47Å; E432-K436 IonicContact OE1-NZ 3.46Å; E432-K436 PolarHBondContact OE1-NZ 3.35Å; E432-W480 HydrophobicContact CB-CH2 4.06Å; E432-W480 HydrophobicContact CG-CH2 3.54Å; E432-W480 HydrophobicContact CG-CZ2 3.79Å |
| 433 | L | 89.3 | Confident | 86.9 | Confident | 111 Ų | 111 | 63 Ų | 63 | 58% | 0.581 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.2 | -48.3 | 177.3 | -72 | 174.2 | 0 | 0 | 0 | 111.7 | E429 E430 I431 L435 K436 E437 | E429-L433 WeakPolarHBondContact O-CG 3.4Å; E429-L433 PolarHBondContact O-N 3.16Å; E430-L433 PolarHBondContact O-N 2.98Å; I431-L433 PolarHBondContact O-N 3.33Å; L433-L435 VanDerWaalsContact C-N 3.31Å; L433-L435 PolarHBondContact O-N 3.15Å; L433-K436 PolarHBondContact O-N 3.35Å; L433-E437 WeakPolarHBondContact O-CG 3.16Å; L433-E437 PolarHBondContact O-N 2.83Å |
| 434 | K | 87.8 | Confident | 87.3 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 177.2 | -76.4 | -171.8 | 166.4 | -153.3 | 0 | 112.1 | E342 L416 L426 E430 I431 E437 V438 | E342-K434 IonicContact OE1-NZ 2.74Å; E342-K434 PolarHBondContact OE1-NZ 2.9Å; L416-K434 HydrophobicContact CD1-CB 4.01Å; L416-K434 HydrophobicContact CD2-CD 4.46Å; L426-K434 HydrophobicContact CD1-CD 4.19Å; E430-K434 WeakPolarHBondContact O-CG 3.3Å; E430-K434 PolarHBondContact O-N 2.97Å; I431-K434 PolarHBondContact O-N 3.44Å; K434-E437 PolarHBondContact O-N 3.36Å; K434-V438 VanDerWaalsContact O-CG2 3.31Å; K434-V438 WeakPolarHBondContact O-CG2 3.45Å; K434-V438 PolarHBondContact O-N 3.47Å |
| 435 | L | 90.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.5 | -72.2 | 170.3 | 0 | 0 | 0 | 111.7 | C413 L416 L417 I431 E432 L433 E437 V438 L439 I473 M477 W480 | C413-L435 HydrophobicContact CB-CD2 4.26Å; L416-L435 HydrophobicContact CB-CD2 4.47Å; L416-L435 HydrophobicContact CD1-CD2 4.02Å; L416-L435 HydrophobicContact CD1-CG 4.26Å; L417-L435 HydrophobicContact CD2-CD1 3.77Å; L417-L435 HydrophobicContact CG-CD1 4.37Å; L417-L435 HydrophobicContact CG-CD2 4.5Å; I431-L435 HydrophobicContact CG2-CD1 3.84Å; I431-L435 HydrophobicContact CG2-CG 4.36Å; I431-L435 WeakPolarHBondContact O-CB 3.3Å; I431-L435 VanDerWaalsContact O-CG 3.26Å; I431-L435 WeakPolarHBondContact O-CG 3.41Å; I431-L435 PolarHBondContact O-N 3.36Å; E432-L435 PolarHBondContact O-N 3.28Å; L433-L435 VanDerWaalsContact C-N 3.31Å; L433-L435 PolarHBondContact O-N 3.15Å; L435-E437 VanDerWaalsContact C-N 3.32Å; L435-E437 PolarHBondContact O-N 3.05Å; L435-V438 WeakPolarHBondContact O-CB 3.47Å; L435-V438 PolarHBondContact O-N 2.97Å; L435-L439 VanDerWaalsContact O-CG 3.31Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 2.89Å; L435-I473 HydrophobicContact CD1-CG2 3.57Å; L435-M477 HydrophobicContact CD2-SD 4.39Å; L435-W480 HydrophobicContact CB-CE3 4.48Å; L435-W480 HydrophobicContact CB-CZ3 3.95Å; L435-W480 HydrophobicContact CD1-CZ3 4.05Å |
| 436 | K | 90 | Very high | 87.5 | Confident | 92 Ų | 92 | 51.5 Ų | 51.5 | 40% | 0.4 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 175.1 | -73.1 | 177.9 | -176.9 | 171.1 | 0 | 112.3 | E432 L433 L439 L440 | E432-K436 HydrophobicContact CG-CD 4.28Å; E432-K436 WeakPolarHBondContact O-CG 3.44Å; E432-K436 PolarHBondContact O-N 3.06Å; E432-K436 WeakPolarHBondContact OE1-CE 3.47Å; E432-K436 IonicContact OE1-NZ 3.46Å; E432-K436 PolarHBondContact OE1-NZ 3.35Å; L433-K436 PolarHBondContact O-N 3.35Å; K436-L439 WeakPolarHBondContact O-CB 3.39Å; K436-L439 PolarHBondContact O-N 3.19Å; K436-L440 PolarHBondContact O-N 2.94Å |
| 437 | E | 87.8 | Confident | 87.5 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63 | -42.2 | 173.2 | -74.1 | -174.9 | 147.1 | 0 | 0 | 112.1 | L345 L433 K434 L435 L439 L440 V441 | L345-E437 HydrophobicContact CD1-CB 3.88Å; L345-E437 HydrophobicContact CD2-CB 3.75Å; L345-E437 HydrophobicContact CG-CB 4.44Å; L433-E437 WeakPolarHBondContact O-CG 3.16Å; L433-E437 PolarHBondContact O-N 2.83Å; K434-E437 PolarHBondContact O-N 3.36Å; L435-E437 VanDerWaalsContact C-N 3.32Å; L435-E437 PolarHBondContact O-N 3.05Å; E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 3Å; E437-L440 VanDerWaalsContact O-CB 3.31Å; E437-L440 WeakPolarHBondContact O-CB 3.42Å; E437-L440 PolarHBondContact O-N 3.26Å; E437-L440 VanDerWaalsContact O-N 3.16Å; E437-V441 PolarHBondContact O-N 3.4Å |
| 438 | V | 88.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 174 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | V341 L409 Y412 K434 L435 L440 V441 L442 | V341-V438 HydrophobicContact CG1-CG2 3.85Å; L409-V438 HydrophobicContact CB-CG1 4.37Å; L409-V438 HydrophobicContact CD2-CG1 4.03Å; Y412-V438 HydrophobicContact CD1-CG2 3.68Å; Y412-V438 HydrophobicContact CE1-CG2 3.8Å; K434-V438 VanDerWaalsContact O-CG2 3.31Å; K434-V438 WeakPolarHBondContact O-CG2 3.45Å; K434-V438 PolarHBondContact O-N 3.47Å; L435-V438 WeakPolarHBondContact O-CB 3.47Å; L435-V438 PolarHBondContact O-N 2.97Å; V438-L440 VanDerWaalsContact C-N 3.28Å; V438-L440 PolarHBondContact O-N 3.47Å; V438-V441 WeakPolarHBondContact O-CB 3.38Å; V438-V441 PolarHBondContact O-N 3.36Å; V438-V441 VanDerWaalsContact O-N 3.14Å; V438-L442 PolarHBondContact O-N 3.49Å |
| 439 | L | 88.2 | Confident | 87.5 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -30.2 | 177.3 | -69.9 | 179.2 | 0 | 0 | 0 | 112.8 | L435 K436 E437 L442 K443 M477 W480 L481 V484 | L435-L439 VanDerWaalsContact O-CG 3.31Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 2.89Å; K436-L439 WeakPolarHBondContact O-CB 3.39Å; K436-L439 PolarHBondContact O-N 3.19Å; E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 3Å; L439-L442 HydrophobicContact CD2-CD2 3.96Å; L439-L442 PolarHBondContact O-N 3.23Å; L439-K443 PolarHBondContact O-N 3.43Å; L439-M477 HydrophobicContact CD1-SD 4.42Å; L439-M477 HydrophobicContact CD2-CE 3.92Å; L439-M477 HydrophobicContact CD2-SD 4.5Å; L439-W480 HydrophobicContact CD1-CB 3.27Å; L439-W480 HydrophobicContact CD1-CD2 4.35Å; L439-W480 HydrophobicContact CD1-CE3 4.11Å; L439-W480 HydrophobicContact CD1-CG 4.09Å; L439-L481 HydrophobicContact CD2-CD2 3.79Å; L439-L481 HydrophobicContact CD2-CG 4.47Å; L439-V484 HydrophobicContact CB-CG2 3.86Å; L439-V484 HydrophobicContact CD1-CG2 4.36Å; L439-V484 HydrophobicContact CD2-CG2 4.22Å; L439-V484 HydrophobicContact CG-CG2 4.37Å |
| 440 | L | 84.8 | Confident | 87.5 | Confident | 52 Ų | 52 | 38.1 Ų | 38.1 | 27% | 0.272 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 170 | -179.8 | 63.4 | 0 | 0 | 0 | 111 | F348 K436 E437 V438 L442 K443 Y444 | F348-L440 HydrophobicContact CD1-CD2 4.09Å; F348-L440 HydrophobicContact CE1-CD2 3.45Å; F348-L440 VanDerWaalsContact CE1-CD2 3.45Å; F348-L440 HydrophobicContact CE2-CD2 4.4Å; F348-L440 HydrophobicContact CZ-CD2 3.64Å; F348-L440 HydrophobicContact CZ-CG 4.44Å; K436-L440 PolarHBondContact O-N 2.94Å; E437-L440 VanDerWaalsContact O-CB 3.31Å; E437-L440 WeakPolarHBondContact O-CB 3.42Å; E437-L440 PolarHBondContact O-N 3.26Å; E437-L440 VanDerWaalsContact O-N 3.16Å; V438-L440 VanDerWaalsContact C-N 3.28Å; V438-L440 PolarHBondContact O-N 3.47Å; L440-L442 VanDerWaalsContact C-N 3.33Å; L440-L442 PolarHBondContact O-N 3.03Å; L440-K443 HydrophobicContact CD1-CD 4.48Å; L440-K443 WeakPolarHBondContact O-CB 3.41Å; L440-K443 PolarHBondContact O-N 3Å; L440-Y444 HydrophobicContact CD1-CE2 4.23Å; L440-Y444 HydrophobicContact CG-CE2 4.39Å; L440-Y444 VanDerWaalsContact O-CD2 3.27Å; L440-Y444 WeakPolarHBondContact O-CD2 3.26Å; L440-Y444 WeakPolarHBondContact O-CE2 3.49Å |
| 441 | V | 85.5 | Confident | 87.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 175.3 | -176 | 0 | 0 | 0 | 0 | 111 | L345 Y374 V378 L409 E437 V438 K443 Y444 V445 | L345-V441 HydrophobicContact CD2-CG2 3.67Å; Y374-V441 HydrophobicContact CE1-CG1 4.21Å; Y374-V441 HydrophobicContact CE1-CG2 4.13Å; V378-V441 HydrophobicContact CG1-CG1 4.22Å; V378-V441 HydrophobicContact CG2-CG1 3.88Å; L409-V441 HydrophobicContact CD1-CG1 4.1Å; L409-V441 HydrophobicContact CD2-CG1 4.33Å; E437-V441 PolarHBondContact O-N 3.4Å; V438-V441 WeakPolarHBondContact O-CB 3.38Å; V438-V441 PolarHBondContact O-N 3.36Å; V438-V441 VanDerWaalsContact O-N 3.14Å; V441-K443 PolarHBondContact O-N 2.71Å; V441-Y444 PolarHBondContact O-N 2.98Å; V441-V445 PolarHBondContact O-N 2.95Å |
| 442 | L | 87.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.3 | -28.7 | 179.5 | -173 | 63.8 | 0 | 0 | 0 | 112.9 | V438 L439 L440 Y444 V445 K448 F451 L481 V484 M486 | V438-L442 PolarHBondContact O-N 3.49Å; L439-L442 HydrophobicContact CD2-CD2 3.96Å; L439-L442 PolarHBondContact O-N 3.23Å; L440-L442 VanDerWaalsContact C-N 3.33Å; L440-L442 PolarHBondContact O-N 3.03Å; L442-Y444 PolarHBondContact O-N 3.33Å; L442-V445 HydrophobicContact CD1-CB 4.29Å; L442-V445 HydrophobicContact CD1-CG2 4.35Å; L442-V445 PolarHBondContact O-N 2.84Å; L442-K448 VanDerWaalsContact O-CE 3.28Å; L442-K448 WeakPolarHBondContact O-CE 3.26Å; L442-F451 HydrophobicContact CD1-CB 3.94Å; L442-F451 HydrophobicContact CD1-CD1 3.99Å; L442-F451 HydrophobicContact CD1-CD2 4.03Å; L442-F451 HydrophobicContact CD1-CG 3.7Å; L442-F451 HydrophobicContact CD2-CD1 3.86Å; L442-F451 HydrophobicContact CD2-CE1 3.76Å; L442-F451 HydrophobicContact CD2-CG 4.36Å; L442-F451 HydrophobicContact CD2-CZ 4.14Å; L442-L481 HydrophobicContact CD2-CD2 3.89Å; L442-V484 HydrophobicContact CD2-CG1 4.36Å; L442-V484 HydrophobicContact CG-CG1 4.49Å; L442-M486 HydrophobicContact CD2-SD 4.13Å |
| 443 | K | 85.8 | Confident | 87.5 | Confident | 114 Ų | 114 | 33.3 Ų | 33.3 | 50% | 0.496 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.4 | -32 | 174.2 | -70.8 | 176.7 | -179 | 178.6 | 0 | 112.6 | L439 L440 V441 V484 | L439-K443 PolarHBondContact O-N 3.43Å; L440-K443 HydrophobicContact CD1-CD 4.48Å; L440-K443 WeakPolarHBondContact O-CB 3.41Å; L440-K443 PolarHBondContact O-N 3Å; V441-K443 PolarHBondContact O-N 2.71Å; K443-V484 HydrophobicContact CG-CG1 3.88Å |
| 444 | Y | 85.1 | Confident | 87.4 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 15% | 0.149 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -92.3 | -10.2 | -177.3 | -55.1 | -64.9 | 0 | 0 | 0 | 113.5 | D370 Y374 N379 L440 V441 L442 | D370-Y444 HydrophobicContact CB-CE1 3.75Å; D370-Y444 WeakPolarHBondContact CB-OH 3.37Å; D370-Y444 WeakPolarHBondContact O-CD1 3.41Å; D370-Y444 PolarHBondContact OD2-OH 2.79Å; Y374-Y444 AromaticContact CD1-CD2 3.66Å; Y374-Y444 HydrophobicContact CD1-CD2 3.66Å; Y374-Y444 HydrophobicContact CD1-CE2 4.17Å; Y374-Y444 HydrophobicContact CD1-CG 4.22Å; Y374-Y444 HydrophobicContact CE1-CD2 4.14Å; N379-Y444 PolarHBondContact ND2-O 3.34Å; L440-Y444 HydrophobicContact CD1-CE2 4.23Å; L440-Y444 HydrophobicContact CG-CE2 4.39Å; L440-Y444 VanDerWaalsContact O-CD2 3.27Å; L440-Y444 WeakPolarHBondContact O-CD2 3.26Å; L440-Y444 WeakPolarHBondContact O-CE2 3.49Å; V441-Y444 PolarHBondContact O-N 2.98Å; L442-Y444 PolarHBondContact O-N 3.33Å |
| 445 | V | 85.7 | Confident | 87.5 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | trans | -70.9 | 133.3 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | V378 P406 L409 V441 L442 K448 | V378-V445 HydrophobicContact CG1-CB 4.46Å; V378-V445 HydrophobicContact CG1-CG2 3.5Å; P406-V445 HydrophobicContact CB-CG1 4.16Å; P406-V445 HydrophobicContact CG-CG1 3.63Å; L409-V445 HydrophobicContact CD1-CG2 3.92Å; V441-V445 PolarHBondContact O-N 2.95Å; L442-V445 HydrophobicContact CD1-CB 4.29Å; L442-V445 HydrophobicContact CD1-CG2 4.35Å; L442-V445 PolarHBondContact O-N 2.84Å; V445-K448 HydrophobicContact CB-CG 4.47Å; V445-K448 HydrophobicContact CG1-CG 4.35Å; V445-K448 VanDerWaalsContact O-CE 3.31Å; V445-K448 WeakPolarHBondContact O-CE 3.46Å; V445-K448 WeakPolarHBondContact O-CG 3.44Å | ||
| 446 | Q | 83.8 | Confident | 87.4 | Confident | 67 Ų | 67 | 27.5 Ų | 27.5 | 31% | 0.313 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -79.6 | -47.2 | 176.4 | -70.3 | 178.1 | 12.7 | 0 | 0 | 112.4 | N379 K448 | N379-Q446 HydrophobicContact CB-CG 4.44Å; N379-Q446 WeakPolarHBondContact OD1-CB 3.27Å; N379-Q446 PolarHBondContact OD1-N 3.36Å; Q446-K448 PolarHBondContact O-N 2.99Å |
| 447 | N | 84.8 | Confident | 87.2 | Confident | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.102 | 11% | 0.11 | C | C | . | . | trans | -95.7 | 69.6 | -175.3 | -65.5 | -18.6 | 0 | 0 | 0 | 110.8 | E402 D449 V450 L748 | E402-N447 PolarHBondContact OE2-ND2 3.01Å; N447-D449 VanDerWaalsContact C-N 3.25Å; N447-D449 PolarHBondContact O-N 3.1Å; N447-V450 HydrophobicContact CB-CG2 4.15Å; N447-V450 PolarHBondContact O-N 3Å; N447-L748 PolarHBondContact OD1-N 3.24Å | ||
| 448 | K | 88.9 | Confident | 87.2 | Confident | 18 Ų | 18 | 20.7 Ų | 20.7 | 8% | 0.078 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.7 | -23.3 | -177.8 | -61 | -179.6 | 174.6 | -175 | 0 | 112.6 | L442 V445 Q446 V450 F451 M452 M486 M746 | L442-K448 VanDerWaalsContact O-CE 3.28Å; L442-K448 WeakPolarHBondContact O-CE 3.26Å; V445-K448 HydrophobicContact CB-CG 4.47Å; V445-K448 HydrophobicContact CG1-CG 4.35Å; V445-K448 VanDerWaalsContact O-CE 3.31Å; V445-K448 WeakPolarHBondContact O-CE 3.46Å; V445-K448 WeakPolarHBondContact O-CG 3.44Å; Q446-K448 PolarHBondContact O-N 2.99Å; K448-V450 VanDerWaalsContact C-N 3.29Å; K448-V450 PolarHBondContact O-N 3.39Å; K448-F451 WeakPolarHBondContact O-CB 3.37Å; K448-F451 PolarHBondContact O-N 2.99Å; K448-M452 WeakPolarHBondContact O-CG 3.48Å; K448-M452 PolarHBondContact O-N 2.59Å; K448-M486 HydrophobicContact CB-CE 3.59Å; K448-M486 HydrophobicContact CB-SD 4.11Å; K448-M486 HydrophobicContact CD-CE 4.31Å; K448-M486 HydrophobicContact CD-SD 3.77Å; K448-M486 HydrophobicContact CG-CE 4.48Å; K448-M486 HydrophobicContact CG-SD 4.39Å; K448-M746 PolarHBondContact N-O 3.24Å |
| 449 | D | 87.8 | Confident | 87.2 | Confident | 11 Ų | 11 | 20.7 Ų | 20.7 | 6% | 0.059 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60 | -37 | 175 | 67.7 | -30.8 | 0 | 0 | 0 | 113.1 | N447 M452 R453 R712 M746 | N447-D449 VanDerWaalsContact C-N 3.25Å; N447-D449 PolarHBondContact O-N 3.1Å; D449-M452 PolarHBondContact O-N 2.67Å; D449-R453 WeakPolarHBondContact O-CB 3.06Å; D449-R453 PolarHBondContact O-N 3.47Å; D449-R712 IonicContact OD1-CZ 3.9Å; D449-R712 IonicContact OD1-NE 2.78Å; D449-R712 IonicContact OD1-NH2 3.84Å; D449-R712 PolarHBondContact OD1-NH2 3.46Å; D449-R712 WeakPolarHBondContact OD2-CG 3.11Å; D449-R712 IonicContact OD2-CZ 2.75Å; D449-R712 IonicContact OD2-NE 3.04Å; D449-R712 PolarHBondContact OD2-NE 2.97Å; D449-R712 IonicContact OD2-NH2 2.88Å; D449-R712 PolarHBondContact OD2-NH2 3.46Å; D449-M746 PolarHBondContact N-O 3.46Å |
| 450 | V | 88.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.9 | -53.1 | 172.8 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | L386 P406 N447 K448 M452 R453 Y454 I708 | L386-V450 HydrophobicContact CD2-CG1 3.94Å; L386-V450 HydrophobicContact CD2-CG2 4.46Å; P406-V450 HydrophobicContact CB-CB 3.94Å; P406-V450 HydrophobicContact CB-CG1 4.04Å; P406-V450 HydrophobicContact CG-CB 4.48Å; N447-V450 HydrophobicContact CB-CG2 4.15Å; N447-V450 PolarHBondContact O-N 3Å; K448-V450 VanDerWaalsContact C-N 3.29Å; K448-V450 PolarHBondContact O-N 3.39Å; V450-M452 VanDerWaalsContact C-N 3.31Å; V450-M452 PolarHBondContact O-N 3.45Å; V450-R453 PolarHBondContact O-N 3.43Å; V450-Y454 HydrophobicContact CG1-CD2 3.88Å; V450-Y454 HydrophobicContact CG1-CE2 3.94Å; V450-Y454 WeakPolarHBondContact O-CD2 3.21Å; V450-Y454 PolarHBondContact O-N 3.45Å; V450-Y454 VanDerWaalsContact O-N 3.14Å; V450-I708 HydrophobicContact CB-CD1 4.42Å; V450-I708 HydrophobicContact CG1-CD1 4.3Å; V450-I708 HydrophobicContact CG2-CD1 4.31Å; V450-I708 HydrophobicContact CG2-CG2 4.34Å |
| 451 | F | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -54.5 | -47.7 | 177.1 | 173.9 | -87.1 | 0 | 0 | 0 | 111.1 | P406 L409 A410 L442 K448 R453 Y454 H455 M477 L481 | P406-F451 HydrophobicContact CB-CB 4.05Å; L409-F451 HydrophobicContact CB-CD2 3.98Å; L409-F451 HydrophobicContact CB-CE2 4.1Å; A410-F451 HydrophobicContact CB-CD2 3.76Å; A410-F451 HydrophobicContact CB-CE2 4Å; A410-F451 HydrophobicContact CB-CG 4.42Å; L442-F451 HydrophobicContact CD1-CB 3.94Å; L442-F451 HydrophobicContact CD1-CD1 3.99Å; L442-F451 HydrophobicContact CD1-CD2 4.03Å; L442-F451 HydrophobicContact CD1-CG 3.7Å; L442-F451 HydrophobicContact CD2-CD1 3.86Å; L442-F451 HydrophobicContact CD2-CE1 3.76Å; L442-F451 HydrophobicContact CD2-CG 4.36Å; L442-F451 HydrophobicContact CD2-CZ 4.14Å; K448-F451 WeakPolarHBondContact O-CB 3.37Å; K448-F451 PolarHBondContact O-N 2.99Å; F451-R453 VanDerWaalsContact C-N 3.35Å; F451-R453 PolarHBondContact O-N 3.44Å; F451-Y454 PolarHBondContact O-N 3.41Å; F451-H455 HydrophobicContact CD1-CB 4.36Å; F451-H455 HydrophobicContact CE1-CB 4.02Å; F451-H455 HydrophobicContact CZ-CB 4.31Å; F451-H455 WeakPolarHBondContact O-CB 3.49Å; F451-H455 PolarHBondContact O-N 2.98Å; F451-M477 HydrophobicContact CZ-CE 4.16Å; F451-L481 HydrophobicContact CE1-CD2 3.72Å; F451-L481 HydrophobicContact CZ-CD2 4.42Å |
| 452 | M | 88.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | -178.5 | -69.9 | -56.5 | -71.8 | 0 | 0 | 113.2 | K448 D449 V450 K456 L481 M486 Y490 L494 | K448-M452 WeakPolarHBondContact O-CG 3.48Å; K448-M452 PolarHBondContact O-N 2.59Å; D449-M452 PolarHBondContact O-N 2.67Å; V450-M452 VanDerWaalsContact C-N 3.31Å; V450-M452 PolarHBondContact O-N 3.45Å; M452-K456 WeakPolarHBondContact O-CB 3.47Å; M452-K456 PolarHBondContact O-N 3.23Å; M452-L481 HydrophobicContact CE-CD1 4.47Å; M452-L481 HydrophobicContact SD-CD1 4.4Å; M452-L481 HydrophobicContact SD-CD2 4.35Å; M452-M486 HydrophobicContact CG-CE 3.13Å; M452-M486 HydrophobicContact SD-CE 3.44Å; M452-M486 WeakPolarHBondContact SD-CE 3.49Å; M452-M486 HydrophobicContact SD-CG 4.24Å; M452-Y490 HydrophobicContact CB-CD1 4.11Å; M452-Y490 HydrophobicContact CB-CE1 4.47Å; M452-Y490 HydrophobicContact CE-CG 4.49Å; M452-L494 HydrophobicContact CE-CD1 3.8Å |
| 453 | R | 87.2 | Confident | 87.4 | Confident | 51 Ų | 51 | 20.2 Ų | 20.2 | 19% | 0.192 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.4 | -50.4 | 179.1 | -171.6 | 77.4 | -175.8 | 156.3 | 20.4 | 110.9 | D449 V450 F451 K456 A457 S538 E704 I708 | D449-R453 WeakPolarHBondContact O-CB 3.06Å; D449-R453 PolarHBondContact O-N 3.47Å; V450-R453 PolarHBondContact O-N 3.43Å; F451-R453 VanDerWaalsContact C-N 3.35Å; F451-R453 PolarHBondContact O-N 3.44Å; R453-K456 PolarHBondContact O-N 3.49Å; R453-A457 PolarHBondContact O-N 3.14Å; R453-S538 PolarHBondContact NH2-OG 3.3Å; R453-S538 VanDerWaalsContact NH2-OG 3.14Å; R453-E704 WeakPolarHBondContact CG-OE2 3.45Å; R453-E704 IonicContact CZ-OE2 2.59Å; R453-E704 IonicContact NE-OE2 3.41Å; R453-E704 PolarHBondContact NE-OE2 3.2Å; R453-E704 IonicContact NH2-OE1 3.05Å; R453-E704 IonicContact NH2-OE2 2.99Å; R453-E704 PolarHBondContact NH2-OE2 3.2Å; R453-I708 HydrophobicContact CB-CD1 3.94Å; R453-I708 HydrophobicContact CB-CG1 3.81Å; R453-I708 HydrophobicContact CG-CD1 4.05Å; R453-I708 HydrophobicContact CG-CG1 3.74Å |
| 454 | Y | 87.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 177.7 | -80.8 | -81.6 | 0 | 0 | 0 | 111.9 | E407 V450 F451 K456 A457 H458 R701 N705 I708 | E407-Y454 HydrophobicContact CB-CD2 4.32Å; E407-Y454 HydrophobicContact CB-CE2 4.31Å; E407-Y454 HydrophobicContact CG-CD1 4.1Å; E407-Y454 HydrophobicContact CG-CD2 4.1Å; E407-Y454 HydrophobicContact CG-CE1 3.93Å; E407-Y454 HydrophobicContact CG-CE2 3.96Å; E407-Y454 HydrophobicContact CG-CG 4.19Å; V450-Y454 HydrophobicContact CG1-CD2 3.88Å; V450-Y454 HydrophobicContact CG1-CE2 3.94Å; V450-Y454 WeakPolarHBondContact O-CD2 3.21Å; V450-Y454 PolarHBondContact O-N 3.45Å; V450-Y454 VanDerWaalsContact O-N 3.14Å; F451-Y454 PolarHBondContact O-N 3.41Å; Y454-K456 VanDerWaalsContact C-N 3.33Å; Y454-K456 PolarHBondContact O-N 3.33Å; Y454-A457 PolarHBondContact O-N 3.14Å; Y454-H458 PolarHBondContact O-CD2 2.92Å; Y454-H458 VanDerWaalsContact O-CD2 3.24Å; Y454-H458 VanDerWaalsContact O-CG 3.26Å; Y454-H458 PolarHBondContact O-N 3.13Å; Y454-R701 HydrophobicContact CE1-CG 4.12Å; Y454-R701 WeakPolarHBondContact OH-CG 3.29Å; Y454-N705 PolarHBondContact OH-OD1 3.26Å; Y454-I708 HydrophobicContact CE2-CD1 4.17Å |
| 455 | H | 90.2 | Very high | 87.3 | Confident | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 177.5 | -173.7 | 81.8 | 0 | 0 | 0 | 111.7 | A410 F451 H458 L459 | A410-H455 HydrophobicContact CB-CB 4.42Å; F451-H455 HydrophobicContact CD1-CB 4.36Å; F451-H455 HydrophobicContact CE1-CB 4.02Å; F451-H455 HydrophobicContact CZ-CB 4.31Å; F451-H455 WeakPolarHBondContact O-CB 3.49Å; F451-H455 PolarHBondContact O-N 2.98Å; H455-H458 PolarHBondContact O-N 2.77Å; H455-L459 WeakPolarHBondContact O-CB 3.48Å; H455-L459 PolarHBondContact O-N 3.21Å |
| 456 | K | 89 | Confident | 87.2 | Confident | 23 Ų | 23 | 21.2 Ų | 21.2 | 10% | 0.1 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 174 | -179.6 | -179 | 176.8 | -178.9 | 0 | 111.7 | M452 R453 Y454 H458 L459 T460 L494 M497 A536 | M452-K456 WeakPolarHBondContact O-CB 3.47Å; M452-K456 PolarHBondContact O-N 3.23Å; R453-K456 PolarHBondContact O-N 3.49Å; Y454-K456 VanDerWaalsContact C-N 3.33Å; Y454-K456 PolarHBondContact O-N 3.33Å; K456-H458 VanDerWaalsContact C-N 3.27Å; K456-H458 PolarHBondContact O-N 3.37Å; K456-L459 PolarHBondContact O-N 3.48Å; K456-T460 WeakPolarHBondContact O-CB 3.28Å; K456-T460 PolarHBondContact O-N 3.49Å; K456-T460 PolarHBondContact O-OG1 3.25Å; K456-T460 VanDerWaalsContact O-OG1 3.14Å; K456-L494 HydrophobicContact CB-CD2 3.89Å; K456-L494 HydrophobicContact CG-CD2 3.86Å; K456-M497 HydrophobicContact CG-SD 4.32Å; K456-A536 WeakPolarHBondContact CE-O 3.29Å; K456-A536 PolarHBondContact NZ-O 3Å |
| 457 | A | 85.8 | Confident | 87.2 | Confident | 12 Ų | 12 | 20.3 Ų | 20.3 | 10% | 0.099 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.4 | -40.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | R453 Y454 R461 | R453-A457 PolarHBondContact O-N 3.14Å; Y454-A457 PolarHBondContact O-N 3.14Å; A457-R461 WeakPolarHBondContact O-CG 3.49Å; A457-R461 PolarHBondContact O-N 3.01Å; A457-R461 PolarHBondContact O-NH1 3.44Å |
| 458 | H | 87.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 20.1 Ų | 20.1 | 3% | 0.028 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.2 | -48.4 | 175.1 | -67.1 | -33.5 | 0 | 0 | 0 | 112.2 | N411 D414 Y454 H455 K456 T460 R461 R462 | N411-H458 PolarHBondContact OD1-NE2 3.18Å; D414-H458 HydrophobicContact CB-CB 4.02Å; D414-H458 IonicContact OD1-CG 3.3Å; Y454-H458 PolarHBondContact O-CD2 2.92Å; Y454-H458 VanDerWaalsContact O-CD2 3.24Å; Y454-H458 VanDerWaalsContact O-CG 3.26Å; Y454-H458 PolarHBondContact O-N 3.13Å; H455-H458 PolarHBondContact O-N 2.77Å; K456-H458 VanDerWaalsContact C-N 3.27Å; K456-H458 PolarHBondContact O-N 3.37Å; H458-T460 VanDerWaalsContact C-N 3.31Å; H458-T460 PolarHBondContact O-N 3.2Å; H458-R461 PolarHBondContact ND1-NH1 3.14Å; H458-R461 PolarHBondContact O-N 3.39Å; H458-R461 VanDerWaalsContact O-N 3.1Å; H458-R462 VanDerWaalsContact CB-NH1 3.32Å; H458-R462 WeakPolarHBondContact O-CG 3.18Å; H458-R462 PolarHBondContact O-N 3Å |
| 459 | L | 90.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.6 | -43.5 | 175.7 | -178.3 | 66.9 | 0 | 0 | 0 | 111.7 | H455 K456 R461 R462 L463 E474 L494 M497 F498 | H455-L459 WeakPolarHBondContact O-CB 3.48Å; H455-L459 PolarHBondContact O-N 3.21Å; K456-L459 PolarHBondContact O-N 3.48Å; L459-R461 VanDerWaalsContact C-N 3.29Å; L459-R461 PolarHBondContact O-N 2.97Å; L459-R462 PolarHBondContact O-N 3.38Å; L459-R462 VanDerWaalsContact O-N 3.14Å; L459-L463 HydrophobicContact CD1-CD1 3.97Å; L459-L463 HydrophobicContact CD1-CD2 4.35Å; L459-L463 HydrophobicContact CD1-CG 3.89Å; L459-L463 HydrophobicContact CD2-CD1 4.33Å; L459-L463 HydrophobicContact CG-CD1 3.86Å; L459-L463 HydrophobicContact CG-CG 4.15Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 3.07Å; L459-E474 WeakPolarHBondContact CD1-OE2 3.48Å; L459-L494 HydrophobicContact CD2-CB 4.12Å; L459-L494 HydrophobicContact CD2-CD2 3.76Å; L459-L494 HydrophobicContact CD2-CG 4.39Å; L459-M497 HydrophobicContact CB-CE 4.38Å; L459-M497 HydrophobicContact CD2-CE 4.01Å; L459-M497 HydrophobicContact CD2-SD 4.4Å; L459-M497 HydrophobicContact CG-CE 4.01Å; L459-F498 HydrophobicContact CD1-CE2 4.14Å; L459-F498 HydrophobicContact CD1-CZ 3.72Å; L459-F498 HydrophobicContact CD2-CE2 3.86Å; L459-F498 HydrophobicContact CD2-CZ 4.3Å |
| 460 | T | 88.1 | Confident | 86.8 | Confident | 20 Ų | 20 | 23.1 Ų | 23.1 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.6 | -47 | 175.6 | -72.6 | 0 | 0 | 0 | 0 | 111.3 | K456 H458 I464 M497 W537 | K456-T460 WeakPolarHBondContact O-CB 3.28Å; K456-T460 PolarHBondContact O-N 3.49Å; K456-T460 PolarHBondContact O-OG1 3.25Å; K456-T460 VanDerWaalsContact O-OG1 3.14Å; H458-T460 VanDerWaalsContact C-N 3.31Å; H458-T460 PolarHBondContact O-N 3.2Å; T460-I464 HydrophobicContact CG2-CD1 3.7Å; T460-I464 WeakPolarHBondContact O-CB 3.46Å; T460-I464 WeakPolarHBondContact O-CD1 3.28Å; T460-I464 VanDerWaalsContact O-CG1 3.26Å; T460-I464 WeakPolarHBondContact O-CG1 3.27Å; T460-I464 PolarHBondContact O-N 3.23Å; T460-M497 WeakPolarHBondContact OG1-CE 3.48Å; T460-W537 HydrophobicContact CG2-CE3 3.78Å; T460-W537 HydrophobicContact CG2-CZ3 4.1Å |
| 461 | R | 84.1 | Confident | 86.7 | Confident | 11 Ų | 11 | 27.3 Ų | 27.3 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67 | -43.7 | 177.6 | -65.8 | 177.7 | -167.3 | 97.5 | 6.1 | 111.5 | A457 H458 L459 L463 I464 L465 M578 T696 | A457-R461 WeakPolarHBondContact O-CG 3.49Å; A457-R461 PolarHBondContact O-N 3.01Å; A457-R461 PolarHBondContact O-NH1 3.44Å; H458-R461 PolarHBondContact ND1-NH1 3.14Å; H458-R461 PolarHBondContact O-N 3.39Å; H458-R461 VanDerWaalsContact O-N 3.1Å; L459-R461 VanDerWaalsContact C-N 3.29Å; L459-R461 PolarHBondContact O-N 2.97Å; R461-L463 PolarHBondContact O-N 3.32Å; R461-I464 PolarHBondContact O-N 3.21Å; R461-L465 VanDerWaalsContact O-CB 3.27Å; R461-L465 WeakPolarHBondContact O-CB 3.5Å; R461-L465 WeakPolarHBondContact O-CG 3.26Å; R461-L465 PolarHBondContact O-N 2.83Å; R461-M578 HydrophobicContact CG-CE 4.19Å; R461-M578 HydrophobicContact CG-SD 4.47Å; R461-T696 VanDerWaalsContact CZ-CG2 3.48Å |
| 462 | R | 87.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | -178.1 | -68.9 | -164.5 | -54.9 | -88.3 | 0.3 | 112.4 | D414 H458 L459 D466 I467 E474 | D414-R462 WeakPolarHBondContact OD1-CD 3.33Å; D414-R462 IonicContact OD1-CZ 3.52Å; D414-R462 IonicContact OD1-NE 3.4Å; D414-R462 IonicContact OD1-NH1 2.76Å; D414-R462 PolarHBondContact OD1-NH1 3.1Å; H458-R462 VanDerWaalsContact CB-NH1 3.32Å; H458-R462 WeakPolarHBondContact O-CG 3.18Å; H458-R462 PolarHBondContact O-N 3Å; L459-R462 PolarHBondContact O-N 3.38Å; L459-R462 VanDerWaalsContact O-N 3.14Å; R462-D466 WeakPolarHBondContact O-CA 3.44Å; R462-D466 PolarHBondContact O-N 3.24Å; R462-I467 HydrophobicContact CB-CG1 4.23Å; R462-I467 HydrophobicContact CG-CD1 4.39Å; R462-I467 HydrophobicContact CG-CG1 4.1Å; R462-I467 PolarHBondContact O-N 2.8Å; R462-I467 VanDerWaalsContact O-N 3.13Å; R462-E474 WeakPolarHBondContact CD-OE1 3.5Å; R462-E474 IonicContact CZ-OE1 3.29Å; R462-E474 IonicContact CZ-OE2 2.87Å; R462-E474 IonicContact NE-OE1 2.98Å; R462-E474 PolarHBondContact NE-OE1 2.94Å; R462-E474 IonicContact NE-OE2 2.91Å; R462-E474 PolarHBondContact NE-OE2 3.31Å; R462-E474 IonicContact NH2-OE1 3.83Å; R462-E474 IonicContact NH2-OE2 3.98Å; R462-E474 PolarHBondContact NH2-OE2 2.97Å |
| 463 | L | 88.8 | Confident | 86.7 | Confident | 18 Ų | 18 | 33.8 Ų | 33.8 | 9% | 0.094 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.3 | -39.3 | 178 | -65.3 | 179.7 | 0 | 0 | 0 | 113.5 | L459 R461 M497 F498 I501 K530 W537 | L459-L463 HydrophobicContact CD1-CD1 3.97Å; L459-L463 HydrophobicContact CD1-CD2 4.35Å; L459-L463 HydrophobicContact CD1-CG 3.89Å; L459-L463 HydrophobicContact CD2-CD1 4.33Å; L459-L463 HydrophobicContact CG-CD1 3.86Å; L459-L463 HydrophobicContact CG-CG 4.15Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 3.07Å; R461-L463 PolarHBondContact O-N 3.32Å; L463-M497 HydrophobicContact CD1-CB 3.98Å; L463-M497 HydrophobicContact CD1-CE 4.19Å; L463-F498 HydrophobicContact CD1-CD1 4.47Å; L463-F498 HydrophobicContact CD1-CE1 4.42Å; L463-F498 HydrophobicContact CD1-CZ 4.46Å; L463-F498 HydrophobicContact CD2-CD1 4.05Å; L463-F498 HydrophobicContact CD2-CE1 3.72Å; L463-F498 HydrophobicContact CD2-CZ 4.31Å; L463-I501 HydrophobicContact CB-CD1 4.16Å; L463-I501 HydrophobicContact CB-CG1 4.14Å; L463-I501 HydrophobicContact CD1-CG1 4.36Å; L463-K530 PolarHBondContact O-NZ 3.38Å; L463-W537 HydrophobicContact CB-CH2 3.58Å; L463-W537 HydrophobicContact CB-CZ3 4.08Å; L463-W537 HydrophobicContact CD1-CH2 3.64Å; L463-W537 HydrophobicContact CD1-CZ2 4.23Å; L463-W537 HydrophobicContact CD1-CZ3 4.43Å; L463-W537 HydrophobicContact CG-CH2 4.27Å |
| 464 | I | 86.3 | Confident | 86.9 | Confident | 33 Ų | 33 | 31.5 Ų | 31.5 | 17% | 0.169 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.4 | -41.4 | 178 | -67.5 | 167 | 0 | 0 | 0 | 111 | T460 R461 K530 L532 W537 M578 | T460-I464 HydrophobicContact CG2-CD1 3.7Å; T460-I464 WeakPolarHBondContact O-CB 3.46Å; T460-I464 WeakPolarHBondContact O-CD1 3.28Å; T460-I464 VanDerWaalsContact O-CG1 3.26Å; T460-I464 WeakPolarHBondContact O-CG1 3.27Å; T460-I464 PolarHBondContact O-N 3.23Å; R461-I464 PolarHBondContact O-N 3.21Å; I464-K530 PolarHBondContact O-NZ 3.17Å; I464-L532 HydrophobicContact CD1-CD1 4.07Å; I464-L532 HydrophobicContact CG1-CD1 3.81Å; I464-W537 HydrophobicContact CD1-CE3 4.05Å; I464-W537 HydrophobicContact CD1-CZ3 3.98Å; I464-W537 HydrophobicContact CG1-CE3 4.23Å; I464-W537 HydrophobicContact CG1-CH2 4.43Å; I464-W537 HydrophobicContact CG1-CZ3 3.69Å; I464-M578 HydrophobicContact CD1-CB 4.45Å; I464-M578 HydrophobicContact CD1-CG 4.49Å; I464-M578 HydrophobicContact CG2-CB 3.94Å |
| 465 | L | 82.8 | Confident | 87 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -89.4 | -6.7 | -176.5 | -57.7 | 177.5 | 0 | 0 | 0 | 113.7 | R461 I467 Q694 | R461-L465 VanDerWaalsContact O-CB 3.27Å; R461-L465 WeakPolarHBondContact O-CB 3.5Å; R461-L465 WeakPolarHBondContact O-CG 3.26Å; R461-L465 PolarHBondContact O-N 2.83Å; L465-I467 VanDerWaalsContact C-N 3.33Å; L465-I467 HydrophobicContact CB-CD1 4.21Å; L465-I467 HydrophobicContact CB-CG1 4.18Å; L465-I467 HydrophobicContact CB-CG2 3.9Å; L465-I467 HydrophobicContact CD1-CD1 4.23Å; L465-I467 PolarHBondContact O-N 3.45Å; L465-Q694 HydrophobicContact CD1-CB 3.91Å |
| 466 | D | 84.1 | Confident | 87.1 | Confident | 121 Ų | 121 | 36.8 Ų | 36.8 | 65% | 0.647 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 46.7 | -177.8 | -167 | 29.1 | 0 | 0 | 0 | 113.1 | R462 | R462-D466 WeakPolarHBondContact O-CA 3.44Å; R462-D466 PolarHBondContact O-N 3.24Å |
| 467 | I | 84.1 | Confident | 87.2 | Confident | 47 Ų | 47 | 35.7 Ų | 35.7 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | trans | -107.5 | 5.7 | -175.9 | 59 | 177 | 0 | 0 | 0 | 113.4 | R418 K419 R462 L465 | R418-I467 HydrophobicContact CG-CB 4.34Å; R418-I467 HydrophobicContact CG-CD1 4.2Å; R418-I467 HydrophobicContact CG-CG1 4.29Å; K419-I467 PolarHBondContact N-O 2.94Å; R462-I467 HydrophobicContact CB-CG1 4.23Å; R462-I467 HydrophobicContact CG-CD1 4.39Å; R462-I467 HydrophobicContact CG-CG1 4.1Å; R462-I467 PolarHBondContact O-N 2.8Å; R462-I467 VanDerWaalsContact O-N 3.13Å; L465-I467 VanDerWaalsContact C-N 3.33Å; L465-I467 HydrophobicContact CB-CD1 4.21Å; L465-I467 HydrophobicContact CB-CG1 4.18Å; L465-I467 HydrophobicContact CB-CG2 3.9Å; L465-I467 HydrophobicContact CD1-CD1 4.23Å; L465-I467 PolarHBondContact O-N 3.45Å | ||
| 468 | S | 84.7 | Confident | 87.5 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -60.3 | 140.8 | 174.3 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | L417 K419 E474 | L417-S468 CarbonylContact O-C 3.51Å; L417-S468 WeakPolarHBondContact O-CA 3.43Å; K419-S468 WeakPolarHBondContact CE-O 3.22Å; S468-E474 WeakPolarHBondContact CB-OE1 3.25Å; S468-E474 PolarHBondContact OG-OE1 3.15Å |
| 469 | A | 82.4 | Confident | 87.7 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -72.5 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L417 K419 | L417-A469 WeakPolarHBondContact O-CB 3.19Å; L417-A469 PolarHBondContact O-N 3.02Å; K419-A469 HydrophobicContact CG-CB 4.33Å |
| 470 | D | 86.1 | Confident | 87.8 | Confident | 48 Ų | 48 | 41.4 Ų | 41.4 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | trans | -147.4 | 127.1 | -176 | -169.2 | -37.8 | 0 | 0 | 0 | 108.6 | S428 E472 I473 E474 | S428-D470 PolarHBondContact OG-OD2 2.91Å; D470-E472 WeakPolarHBondContact OD1-CB 3.46Å; D470-E472 PolarHBondContact OD1-N 2.62Å; D470-I473 HydrophobicContact CB-CB 4.21Å; D470-I473 HydrophobicContact CB-CD1 3.93Å; D470-I473 HydrophobicContact CB-CG1 4.02Å; D470-I473 PolarHBondContact OD1-N 3.27Å; D470-E474 WeakPolarHBondContact O-CG 3.34Å | ||
| 471 | S | 86.4 | Confident | 88 | Confident | 88 Ų | 88 | 40.4 Ų | 40.4 | 62% | 0.615 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -77.5 | -29 | -178.6 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | E474 E475 | S471-E474 PolarHBondContact O-N 3.16Å; S471-E475 PolarHBondContact O-N 3.48Å; S471-E475 VanDerWaalsContact O-N 3.11Å |
| 472 | E | 89.6 | Confident | 88.3 | Confident | 129 Ų | 129 | 46.2 Ų | 46.2 | 60% | 0.603 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -70 | -43.6 | -178.6 | -173.1 | 175.1 | -179.4 | 0 | 0 | 110.2 | D470 E474 E475 N476 | D470-E472 WeakPolarHBondContact OD1-CB 3.46Å; D470-E472 PolarHBondContact OD1-N 2.62Å; E472-E474 PolarHBondContact O-N 3.12Å; E472-E475 PolarHBondContact O-N 3.23Å; E472-N476 WeakPolarHBondContact O-CB 3.31Å; E472-N476 VanDerWaalsContact O-CG 3.28Å; E472-N476 PolarHBondContact O-N 3.34Å; E472-N476 PolarHBondContact O-ND2 3.02Å |
| 473 | I | 89.9 | Confident | 88.3 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -34.8 | 174.6 | -59.6 | 179.8 | 0 | 0 | 0 | 111.2 | L417 I431 L435 D470 N476 M477 | L417-I473 HydrophobicContact CD2-CB 4.49Å; L417-I473 HydrophobicContact CD2-CG2 3.66Å; I431-I473 HydrophobicContact CG2-CD1 4.23Å; I431-I473 HydrophobicContact CG2-CG2 4.47Å; L435-I473 HydrophobicContact CD1-CG2 3.57Å; D470-I473 HydrophobicContact CB-CB 4.21Å; D470-I473 HydrophobicContact CB-CD1 3.93Å; D470-I473 HydrophobicContact CB-CG1 4.02Å; D470-I473 PolarHBondContact OD1-N 3.27Å; I473-N476 PolarHBondContact O-N 3.03Å; I473-M477 WeakPolarHBondContact O-CB 3.38Å; I473-M477 PolarHBondContact O-N 3.32Å |
| 474 | E | 90 | Very high | 88.2 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 177 | -69.9 | -95.7 | -146.7 | 0 | 0 | 112.3 | L417 L459 R462 S468 D470 S471 E472 F498 | L417-E474 HydrophobicContact CD2-CG 4.32Å; L459-E474 WeakPolarHBondContact CD1-OE2 3.48Å; R462-E474 WeakPolarHBondContact CD-OE1 3.5Å; R462-E474 IonicContact CZ-OE1 3.29Å; R462-E474 IonicContact CZ-OE2 2.87Å; R462-E474 IonicContact NE-OE1 2.98Å; R462-E474 PolarHBondContact NE-OE1 2.94Å; R462-E474 IonicContact NE-OE2 2.91Å; R462-E474 PolarHBondContact NE-OE2 3.31Å; R462-E474 IonicContact NH2-OE1 3.83Å; R462-E474 IonicContact NH2-OE2 3.98Å; R462-E474 PolarHBondContact NH2-OE2 2.97Å; S468-E474 WeakPolarHBondContact CB-OE1 3.25Å; S468-E474 PolarHBondContact OG-OE1 3.15Å; D470-E474 WeakPolarHBondContact O-CG 3.34Å; S471-E474 PolarHBondContact O-N 3.16Å; E472-E474 PolarHBondContact O-N 3.12Å; E474-F498 HydrophobicContact CB-CE1 3.89Å; E474-F498 HydrophobicContact CB-CZ 3.83Å |
| 475 | E | 90.4 | Very high | 88.1 | Confident | 75 Ų | 75 | 54 Ų | 54 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 172.7 | -69.6 | -169.9 | -176.6 | 0 | 0 | 110.7 | S471 E472 M477 V478 E479 F498 K502 | S471-E475 PolarHBondContact O-N 3.48Å; S471-E475 VanDerWaalsContact O-N 3.11Å; E472-E475 PolarHBondContact O-N 3.23Å; E475-M477 VanDerWaalsContact C-N 3.28Å; E475-M477 PolarHBondContact O-N 3.02Å; E475-V478 WeakPolarHBondContact O-CB 3.31Å; E475-V478 PolarHBondContact O-N 3.22Å; E475-E479 PolarHBondContact O-N 2.98Å; E475-F498 HydrophobicContact CG-CD1 4Å; E475-F498 HydrophobicContact CG-CE1 4.1Å; E475-F498 HydrophobicContact CG-CG 4.45Å; E475-K502 WeakPolarHBondContact OE1-CE 3.48Å; E475-K502 IonicContact OE1-NZ 2.7Å; E475-K502 PolarHBondContact OE1-NZ 3.33Å; E475-K502 IonicContact OE2-NZ 3.53Å |
| 476 | N | 91.7 | Very high | 88.2 | Confident | 41 Ų | 41 | 53.3 Ų | 53.3 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -36.7 | 176.7 | -71.8 | -17.5 | 0 | 0 | 0 | 112.4 | E472 I473 V478 E479 W480 | E472-N476 WeakPolarHBondContact O-CB 3.31Å; E472-N476 VanDerWaalsContact O-CG 3.28Å; E472-N476 PolarHBondContact O-N 3.34Å; E472-N476 PolarHBondContact O-ND2 3.02Å; I473-N476 PolarHBondContact O-N 3.03Å; N476-V478 VanDerWaalsContact C-N 3.26Å; N476-V478 PolarHBondContact O-N 2.96Å; N476-E479 WeakPolarHBondContact O-CB 3.33Å; N476-E479 PolarHBondContact O-N 3.32Å; N476-W480 HydrophobicContact CB-CD2 4.43Å; N476-W480 HydrophobicContact CB-CH2 4.02Å; N476-W480 HydrophobicContact CB-CZ2 3.71Å; N476-W480 VanDerWaalsContact O-CG 3.24Å; N476-W480 PolarHBondContact O-N 3Å |
| 477 | M | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -37.2 | 176.3 | -176.2 | 63.6 | -176.8 | 0 | 0 | 112 | L417 L435 L439 F451 I473 E475 E479 W480 L481 | L417-M477 HydrophobicContact CD1-CG 4.39Å; L435-M477 HydrophobicContact CD2-SD 4.39Å; L439-M477 HydrophobicContact CD1-SD 4.42Å; L439-M477 HydrophobicContact CD2-CE 3.92Å; L439-M477 HydrophobicContact CD2-SD 4.5Å; F451-M477 HydrophobicContact CZ-CE 4.16Å; I473-M477 WeakPolarHBondContact O-CB 3.38Å; I473-M477 PolarHBondContact O-N 3.32Å; E475-M477 VanDerWaalsContact C-N 3.28Å; E475-M477 PolarHBondContact O-N 3.02Å; M477-E479 VanDerWaalsContact C-N 3.34Å; M477-W480 HydrophobicContact SD-CE3 4.13Å; M477-L481 HydrophobicContact CE-CD1 4.34Å; M477-L481 HydrophobicContact CE-CD2 4.22Å; M477-L481 HydrophobicContact CE-CG 4.21Å; M477-L481 HydrophobicContact CG-CD1 4.46Å; M477-L481 WeakPolarHBondContact O-CB 3.26Å; M477-L481 VanDerWaalsContact O-CG 3.24Å; M477-L481 WeakPolarHBondContact O-CG 3.46Å; M477-L481 PolarHBondContact O-N 3.49Å |
| 478 | V | 91.7 | Very high | 88.3 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 176 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | E475 N476 R482 V491 L494 A495 F498 | E475-V478 WeakPolarHBondContact O-CB 3.31Å; E475-V478 PolarHBondContact O-N 3.22Å; N476-V478 VanDerWaalsContact C-N 3.26Å; N476-V478 PolarHBondContact O-N 2.96Å; V478-R482 PolarHBondContact O-N 3.21Å; V478-V491 HydrophobicContact CG1-CG1 3.73Å; V478-L494 HydrophobicContact CG1-CB 4.25Å; V478-L494 HydrophobicContact CG2-CB 4.07Å; V478-A495 HydrophobicContact CG1-CB 4.2Å; V478-F498 HydrophobicContact CG2-CD2 4.32Å; V478-F498 HydrophobicContact CG2-CE2 3.61Å; V478-F498 HydrophobicContact CG2-CZ 4.41Å |
| 479 | E | 90.9 | Very high | 88.3 | Confident | 109 Ų | 109 | 50.7 Ų | 50.7 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.7 | -47.4 | 175.5 | -59.8 | -166.2 | 157.5 | 0 | 0 | 111.5 | E475 N476 M477 L481 R482 E483 | E475-E479 PolarHBondContact O-N 2.98Å; N476-E479 WeakPolarHBondContact O-CB 3.33Å; N476-E479 PolarHBondContact O-N 3.32Å; M477-E479 VanDerWaalsContact C-N 3.34Å; E479-L481 VanDerWaalsContact C-N 3.29Å; E479-L481 PolarHBondContact O-N 3.4Å; E479-R482 WeakPolarHBondContact O-CA 3.44Å; E479-R482 WeakPolarHBondContact O-CB 3.16Å; E479-R482 PolarHBondContact O-N 3.08Å; E479-E483 PolarHBondContact O-N 3.26Å; E479-E483 VanDerWaalsContact O-N 3.07Å |
| 480 | W | 93 | Very high | 88.4 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 9% | 0.087 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 178.2 | -55.6 | -31.2 | 0 | 0 | 0 | 112.4 | E432 L435 L439 N476 M477 R482 E483 V484 | E432-W480 HydrophobicContact CB-CH2 4.06Å; E432-W480 HydrophobicContact CG-CH2 3.54Å; E432-W480 HydrophobicContact CG-CZ2 3.79Å; L435-W480 HydrophobicContact CB-CE3 4.48Å; L435-W480 HydrophobicContact CB-CZ3 3.95Å; L435-W480 HydrophobicContact CD1-CZ3 4.05Å; L439-W480 HydrophobicContact CD1-CB 3.27Å; L439-W480 HydrophobicContact CD1-CD2 4.35Å; L439-W480 HydrophobicContact CD1-CE3 4.11Å; L439-W480 HydrophobicContact CD1-CG 4.09Å; N476-W480 HydrophobicContact CB-CD2 4.43Å; N476-W480 HydrophobicContact CB-CH2 4.02Å; N476-W480 HydrophobicContact CB-CZ2 3.71Å; N476-W480 VanDerWaalsContact O-CG 3.24Å; N476-W480 PolarHBondContact O-N 3Å; M477-W480 HydrophobicContact SD-CE3 4.13Å; W480-R482 PolarHBondContact O-N 2.96Å; W480-E483 PolarHBondContact O-N 3.47Å; W480-V484 VanDerWaalsContact O-CG2 3.27Å; W480-V484 WeakPolarHBondContact O-CG2 3.29Å; W480-V484 PolarHBondContact O-N 2.98Å |
| 481 | L | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 171.7 | -74.4 | 170.4 | 0 | 0 | 0 | 111.8 | L439 L442 F451 M452 M477 E479 M486 V491 L494 | L439-L481 HydrophobicContact CD2-CD2 3.79Å; L439-L481 HydrophobicContact CD2-CG 4.47Å; L442-L481 HydrophobicContact CD2-CD2 3.89Å; F451-L481 HydrophobicContact CE1-CD2 3.72Å; F451-L481 HydrophobicContact CZ-CD2 4.42Å; M452-L481 HydrophobicContact CE-CD1 4.47Å; M452-L481 HydrophobicContact SD-CD1 4.4Å; M452-L481 HydrophobicContact SD-CD2 4.35Å; M477-L481 HydrophobicContact CE-CD1 4.34Å; M477-L481 HydrophobicContact CE-CD2 4.22Å; M477-L481 HydrophobicContact CE-CG 4.21Å; M477-L481 HydrophobicContact CG-CD1 4.46Å; M477-L481 WeakPolarHBondContact O-CB 3.26Å; M477-L481 VanDerWaalsContact O-CG 3.24Å; M477-L481 WeakPolarHBondContact O-CG 3.46Å; M477-L481 PolarHBondContact O-N 3.49Å; E479-L481 VanDerWaalsContact C-N 3.29Å; E479-L481 PolarHBondContact O-N 3.4Å; L481-M486 HydrophobicContact CB-CG 4.19Å; L481-M486 HydrophobicContact CD2-CG 3.97Å; L481-M486 WeakPolarHBondContact O-CB 3.49Å; L481-M486 WeakPolarHBondContact O-CG 3.37Å; L481-M486 PolarHBondContact O-N 2.89Å; L481-V491 HydrophobicContact CB-CG2 4.4Å; L481-L494 HydrophobicContact CD1-CD1 4.08Å |
| 482 | R | 90.3 | Very high | 88.8 | Confident | 133 Ų | 133 | 47.4 Ų | 47.4 | 50% | 0.502 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 172.9 | -162.2 | 179.7 | -66.5 | 172.3 | 2.2 | 111.2 | V478 E479 W480 V484 G485 V491 | V478-R482 PolarHBondContact O-N 3.21Å; E479-R482 WeakPolarHBondContact O-CA 3.44Å; E479-R482 WeakPolarHBondContact O-CB 3.16Å; E479-R482 PolarHBondContact O-N 3.08Å; W480-R482 PolarHBondContact O-N 2.96Å; R482-V484 VanDerWaalsContact C-N 3.32Å; R482-V484 PolarHBondContact O-N 2.71Å; R482-G485 PolarHBondContact O-N 2.89Å; R482-G485 VanDerWaalsContact O-N 3.08Å; R482-V491 HydrophobicContact CB-CG1 4.12Å; R482-V491 HydrophobicContact CG-CG1 4.49Å |
| 483 | E | 88.6 | Confident | 88.8 | Confident | 155 Ų | 155 | 44.7 Ų | 44.7 | 72% | 0.724 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.2 | -34 | -179.7 | -65.6 | -177 | 163.3 | 0 | 0 | 113.4 | E479 W480 G485 | E479-E483 PolarHBondContact O-N 3.26Å; E479-E483 VanDerWaalsContact O-N 3.07Å; W480-E483 PolarHBondContact O-N 3.47Å; E483-G485 PolarHBondContact O-N 2.65Å; E483-G485 VanDerWaalsContact O-N 3.15Å |
| 484 | V | 85.4 | Confident | 88.9 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -8.5 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | L439 L442 K443 W480 R482 | L439-V484 HydrophobicContact CB-CG2 3.86Å; L439-V484 HydrophobicContact CD1-CG2 4.36Å; L439-V484 HydrophobicContact CD2-CG2 4.22Å; L439-V484 HydrophobicContact CG-CG2 4.37Å; L442-V484 HydrophobicContact CD2-CG1 4.36Å; L442-V484 HydrophobicContact CG-CG1 4.49Å; K443-V484 HydrophobicContact CG-CG1 3.88Å; W480-V484 VanDerWaalsContact O-CG2 3.27Å; W480-V484 WeakPolarHBondContact O-CG2 3.29Å; W480-V484 PolarHBondContact O-N 2.98Å; R482-V484 VanDerWaalsContact C-N 3.32Å; R482-V484 PolarHBondContact O-N 2.71Å |
| 485 | G | 83.4 | Confident | 89 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 30.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R482 E483 | R482-G485 PolarHBondContact O-N 2.89Å; R482-G485 VanDerWaalsContact O-N 3.08Å; E483-G485 PolarHBondContact O-N 2.65Å; E483-G485 VanDerWaalsContact O-N 3.15Å |
| 486 | M | 86.2 | Confident | 89.1 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 5% | 0.054 | 25% | 0.249 | C | C | . | . | trans | -66.8 | 149.1 | 170.6 | -65.4 | -52.8 | -61.7 | 0 | 0 | 110.8 | L442 K448 M452 L481 A488 V491 | L442-M486 HydrophobicContact CD2-SD 4.13Å; K448-M486 HydrophobicContact CB-CE 3.59Å; K448-M486 HydrophobicContact CB-SD 4.11Å; K448-M486 HydrophobicContact CD-CE 4.31Å; K448-M486 HydrophobicContact CD-SD 3.77Å; K448-M486 HydrophobicContact CG-CE 4.48Å; K448-M486 HydrophobicContact CG-SD 4.39Å; M452-M486 HydrophobicContact CG-CE 3.13Å; M452-M486 HydrophobicContact SD-CE 3.44Å; M452-M486 WeakPolarHBondContact SD-CE 3.49Å; M452-M486 HydrophobicContact SD-CG 4.24Å; L481-M486 HydrophobicContact CB-CG 4.19Å; L481-M486 HydrophobicContact CD2-CG 3.97Å; L481-M486 WeakPolarHBondContact O-CB 3.49Å; L481-M486 WeakPolarHBondContact O-CG 3.37Å; L481-M486 PolarHBondContact O-N 2.89Å; M486-A488 PolarHBondContact O-N 2.85Å; M486-V491 HydrophobicContact CB-CG2 3.92Å | ||
| 487 | P | 83.9 | Confident | 89.2 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 13% | 0.13 | 24% | 0.239 | C | C | . | . | trans | -57.1 | 128.2 | -179.1 | -20.7 | 29.3 | 0 | 0 | 0 | 112.2 | D489 Y490 V491 M746 | P487-D489 WeakPolarHBondContact CB-OD1 3.42Å; P487-D489 PolarHBondContact O-N 3.01Å; P487-Y490 HydrophobicContact CB-CD2 4.01Å; P487-Y490 HydrophobicContact CG-CD2 4.38Å; P487-Y490 PolarHBondContact O-N 2.97Å; P487-Y490 VanDerWaalsContact O-N 3.1Å; P487-V491 PolarHBondContact O-N 3.21Å; P487-M746 HydrophobicContact CB-CG 4.46Å; P487-M746 HydrophobicContact CG-CG 3.61Å; P487-M746 HydrophobicContact CG-SD 4.42Å | ||
| 488 | A | 86.1 | Confident | 89.2 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 52% | 0.521 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.8 | -31.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M486 Y490 V491 N492 | M486-A488 PolarHBondContact O-N 2.85Å; A488-Y490 VanDerWaalsContact C-N 3.28Å; A488-Y490 PolarHBondContact O-N 2.96Å; A488-V491 PolarHBondContact O-N 2.94Å; A488-N492 VanDerWaalsContact O-CB 3.22Å; A488-N492 WeakPolarHBondContact O-CB 3.37Å; A488-N492 PolarHBondContact O-N 2.96Å; A488-N492 PolarHBondContact O-ND2 2.91Å |
| 489 | D | 84.6 | Confident | 89.2 | Confident | 47 Ų | 47 | 52.8 Ų | 52.8 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -32.2 | 178.5 | 69.2 | -53.7 | 0 | 0 | 0 | 112.9 | P487 K493 R715 | P487-D489 WeakPolarHBondContact CB-OD1 3.42Å; P487-D489 PolarHBondContact O-N 3.01Å; D489-K493 WeakPolarHBondContact O-CD 3.41Å; D489-K493 VanDerWaalsContact O-CG 3.29Å; D489-K493 WeakPolarHBondContact O-CG 3.18Å; D489-R715 IonicContact OD2-CZ 3.78Å; D489-R715 IonicContact OD2-NH2 2.62Å; D489-R715 PolarHBondContact OD2-NH2 2.92Å |
| 490 | Y | 84.2 | Confident | 89.3 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 9% | 0.09 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -78.1 | -47.6 | 174.3 | -75.4 | -96 | 0 | 0 | 0 | 111.6 | M452 P487 A488 N492 K493 L494 L711 | M452-Y490 HydrophobicContact CB-CD1 4.11Å; M452-Y490 HydrophobicContact CB-CE1 4.47Å; M452-Y490 HydrophobicContact CE-CG 4.49Å; P487-Y490 HydrophobicContact CB-CD2 4.01Å; P487-Y490 HydrophobicContact CG-CD2 4.38Å; P487-Y490 PolarHBondContact O-N 2.97Å; P487-Y490 VanDerWaalsContact O-N 3.1Å; A488-Y490 VanDerWaalsContact C-N 3.28Å; A488-Y490 PolarHBondContact O-N 2.96Å; Y490-N492 VanDerWaalsContact C-N 3.27Å; Y490-N492 PolarHBondContact O-N 3.4Å; Y490-K493 WeakPolarHBondContact O-CB 3.43Å; Y490-K493 PolarHBondContact O-N 2.99Å; Y490-L494 PolarHBondContact O-N 3.24Å; Y490-L494 VanDerWaalsContact O-N 3.1Å; Y490-L711 HydrophobicContact CE1-CD2 4.45Å; Y490-L711 WeakPolarHBondContact OH-CD2 3.31Å |
| 491 | V | 90.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | -180 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | V478 L481 R482 M486 P487 A488 K493 L494 A495 | V478-V491 HydrophobicContact CG1-CG1 3.73Å; L481-V491 HydrophobicContact CB-CG2 4.4Å; R482-V491 HydrophobicContact CB-CG1 4.12Å; R482-V491 HydrophobicContact CG-CG1 4.49Å; M486-V491 HydrophobicContact CB-CG2 3.92Å; P487-V491 PolarHBondContact O-N 3.21Å; A488-V491 PolarHBondContact O-N 2.94Å; V491-K493 VanDerWaalsContact C-N 3.29Å; V491-K493 PolarHBondContact O-N 3.39Å; V491-L494 PolarHBondContact O-N 2.78Å; V491-L494 VanDerWaalsContact O-N 3.16Å; V491-A495 PolarHBondContact O-N 3.06Å |
| 492 | N | 90.9 | Very high | 89.2 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -32.2 | 176.8 | -70 | -18 | 0 | 0 | 0 | 112.9 | A488 Y490 R496 | A488-N492 VanDerWaalsContact O-CB 3.22Å; A488-N492 WeakPolarHBondContact O-CB 3.37Å; A488-N492 PolarHBondContact O-N 2.96Å; A488-N492 PolarHBondContact O-ND2 2.91Å; Y490-N492 VanDerWaalsContact C-N 3.27Å; Y490-N492 PolarHBondContact O-N 3.4Å; N492-R496 WeakPolarHBondContact O-CB 3.27Å; N492-R496 PolarHBondContact O-N 3.4Å |
| 493 | K | 90 | Very high | 89.3 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 173.3 | -73.3 | 166.9 | -174.6 | 166.7 | 0 | 111.1 | D489 Y490 V491 R496 M497 | D489-K493 WeakPolarHBondContact O-CD 3.41Å; D489-K493 VanDerWaalsContact O-CG 3.29Å; D489-K493 WeakPolarHBondContact O-CG 3.18Å; Y490-K493 WeakPolarHBondContact O-CB 3.43Å; Y490-K493 PolarHBondContact O-N 2.99Å; V491-K493 VanDerWaalsContact C-N 3.29Å; V491-K493 PolarHBondContact O-N 3.39Å; K493-R496 PolarHBondContact O-N 3.34Å; K493-M497 WeakPolarHBondContact O-CG 3.34Å; K493-M497 PolarHBondContact O-N 3.41Å; K493-M497 VanDerWaalsContact O-N 3.11Å |
| 494 | L | 91.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 175.9 | -58.3 | -179.4 | 0 | 0 | 0 | 111 | M452 K456 L459 V478 L481 Y490 V491 R496 M497 F498 | M452-L494 HydrophobicContact CE-CD1 3.8Å; K456-L494 HydrophobicContact CB-CD2 3.89Å; K456-L494 HydrophobicContact CG-CD2 3.86Å; L459-L494 HydrophobicContact CD2-CB 4.12Å; L459-L494 HydrophobicContact CD2-CD2 3.76Å; L459-L494 HydrophobicContact CD2-CG 4.39Å; V478-L494 HydrophobicContact CG1-CB 4.25Å; V478-L494 HydrophobicContact CG2-CB 4.07Å; L481-L494 HydrophobicContact CD1-CD1 4.08Å; Y490-L494 PolarHBondContact O-N 3.24Å; Y490-L494 VanDerWaalsContact O-N 3.1Å; V491-L494 PolarHBondContact O-N 2.78Å; V491-L494 VanDerWaalsContact O-N 3.16Å; L494-R496 VanDerWaalsContact C-N 3.28Å; L494-R496 PolarHBondContact O-N 2.97Å; L494-M497 HydrophobicContact CD2-SD 4.04Å; L494-M497 VanDerWaalsContact O-CB 3.28Å; L494-M497 WeakPolarHBondContact O-CB 3.25Å; L494-M497 PolarHBondContact O-N 3.4Å; L494-F498 VanDerWaalsContact O-CD2 3.31Å; L494-F498 WeakPolarHBondContact O-CD2 3.45Å; L494-F498 PolarHBondContact O-N 3.3Å |
| 495 | A | 92 | Very high | 89.7 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 31% | 0.306 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.8 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V478 V491 M497 F498 Q499 | V478-A495 HydrophobicContact CG1-CB 4.2Å; V491-A495 PolarHBondContact O-N 3.06Å; A495-M497 VanDerWaalsContact C-N 3.27Å; A495-M497 PolarHBondContact O-N 3.32Å; A495-F498 PolarHBondContact O-N 2.9Å; A495-Q499 PolarHBondContact O-N 3.18Å |
| 496 | R | 92.6 | Very high | 90.1 | Very high | 127 Ų | 127 | 50 Ų | 50 | 48% | 0.479 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -31.3 | 175 | -175.3 | 166.8 | -70.1 | 156.7 | 0.7 | 112.9 | N492 K493 L494 Q499 D500 A536 | N492-R496 WeakPolarHBondContact O-CB 3.27Å; N492-R496 PolarHBondContact O-N 3.4Å; K493-R496 PolarHBondContact O-N 3.34Å; L494-R496 VanDerWaalsContact C-N 3.28Å; L494-R496 PolarHBondContact O-N 2.97Å; R496-Q499 PolarHBondContact O-N 2.7Å; R496-D500 VanDerWaalsContact O-CG 3.23Å; R496-D500 PolarHBondContact O-N 3.47Å; R496-A536 HydrophobicContact CB-CB 4.44Å; R496-A536 HydrophobicContact CG-CB 4.17Å |
| 497 | M | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 175.4 | -67.5 | 166.6 | 55.8 | 0 | 0 | 111.4 | K456 L459 T460 L463 K493 L494 A495 Q499 D500 I501 A536 W537 | K456-M497 HydrophobicContact CG-SD 4.32Å; L459-M497 HydrophobicContact CB-CE 4.38Å; L459-M497 HydrophobicContact CD2-CE 4.01Å; L459-M497 HydrophobicContact CD2-SD 4.4Å; L459-M497 HydrophobicContact CG-CE 4.01Å; T460-M497 WeakPolarHBondContact OG1-CE 3.48Å; L463-M497 HydrophobicContact CD1-CB 3.98Å; L463-M497 HydrophobicContact CD1-CE 4.19Å; K493-M497 WeakPolarHBondContact O-CG 3.34Å; K493-M497 PolarHBondContact O-N 3.41Å; K493-M497 VanDerWaalsContact O-N 3.11Å; L494-M497 HydrophobicContact CD2-SD 4.04Å; L494-M497 VanDerWaalsContact O-CB 3.28Å; L494-M497 WeakPolarHBondContact O-CB 3.25Å; L494-M497 PolarHBondContact O-N 3.4Å; A495-M497 VanDerWaalsContact C-N 3.27Å; A495-M497 PolarHBondContact O-N 3.32Å; M497-Q499 VanDerWaalsContact C-N 3.34Å; M497-Q499 PolarHBondContact O-N 3.4Å; M497-D500 PolarHBondContact O-N 3.04Å; M497-I501 WeakPolarHBondContact O-CG1 3.22Å; M497-I501 PolarHBondContact O-N 3.34Å; M497-I501 VanDerWaalsContact O-N 3.09Å; M497-A536 HydrophobicContact CG-CB 4.45Å; M497-W537 HydrophobicContact CB-CD2 4.39Å; M497-W537 HydrophobicContact CB-CH2 4.06Å; M497-W537 HydrophobicContact CB-CZ2 3.46Å; M497-W537 VanDerWaalsContact CB-CZ2 3.46Å; M497-W537 HydrophobicContact CE-CD2 4.11Å; M497-W537 HydrophobicContact CE-CE3 3.78Å; M497-W537 HydrophobicContact CE-CH2 4Å; M497-W537 HydrophobicContact CE-CZ2 4.32Å; M497-W537 HydrophobicContact CE-CZ3 3.7Å; M497-W537 HydrophobicContact CG-CD2 3.89Å; M497-W537 HydrophobicContact CG-CE3 4.5Å; M497-W537 HydrophobicContact CG-CG 4.24Å; M497-W537 HydrophobicContact CG-CZ2 3.91Å; M497-W537 VanDerWaalsContact O-CZ2 3.28Å; M497-W537 WeakPolarHBondContact O-CZ2 3.15Å |
| 498 | F | 92.1 | Very high | 90.5 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 10% | 0.101 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 174.8 | -69.6 | -87.8 | 0 | 0 | 0 | 112.4 | L459 L463 E474 E475 V478 L494 A495 D500 I501 K502 | L459-F498 HydrophobicContact CD1-CE2 4.14Å; L459-F498 HydrophobicContact CD1-CZ 3.72Å; L459-F498 HydrophobicContact CD2-CE2 3.86Å; L459-F498 HydrophobicContact CD2-CZ 4.3Å; L463-F498 HydrophobicContact CD1-CD1 4.47Å; L463-F498 HydrophobicContact CD1-CE1 4.42Å; L463-F498 HydrophobicContact CD1-CZ 4.46Å; L463-F498 HydrophobicContact CD2-CD1 4.05Å; L463-F498 HydrophobicContact CD2-CE1 3.72Å; L463-F498 HydrophobicContact CD2-CZ 4.31Å; E474-F498 HydrophobicContact CB-CE1 3.89Å; E474-F498 HydrophobicContact CB-CZ 3.83Å; E475-F498 HydrophobicContact CG-CD1 4Å; E475-F498 HydrophobicContact CG-CE1 4.1Å; E475-F498 HydrophobicContact CG-CG 4.45Å; V478-F498 HydrophobicContact CG2-CD2 4.32Å; V478-F498 HydrophobicContact CG2-CE2 3.61Å; V478-F498 HydrophobicContact CG2-CZ 4.41Å; L494-F498 VanDerWaalsContact O-CD2 3.31Å; L494-F498 WeakPolarHBondContact O-CD2 3.45Å; L494-F498 PolarHBondContact O-N 3.3Å; A495-F498 PolarHBondContact O-N 2.9Å; F498-D500 PolarHBondContact O-N 3.03Å; F498-I501 PolarHBondContact O-N 2.9Å; F498-K502 PolarHBondContact O-N 3.48Å; F498-K502 VanDerWaalsContact O-N 3.15Å |
| 499 | Q | 92.6 | Very high | 90.6 | Very high | 118 Ų | 118 | 52.8 Ų | 52.8 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 175.4 | -172.1 | 177 | 19.2 | 0 | 0 | 111.9 | A495 R496 M497 I501 K502 V503 | A495-Q499 PolarHBondContact O-N 3.18Å; R496-Q499 PolarHBondContact O-N 2.7Å; M497-Q499 VanDerWaalsContact C-N 3.34Å; M497-Q499 PolarHBondContact O-N 3.4Å; Q499-I501 VanDerWaalsContact C-N 3.29Å; Q499-I501 PolarHBondContact O-N 3.01Å; Q499-K502 PolarHBondContact O-N 3.45Å; Q499-V503 HydrophobicContact CG-CG2 4.46Å; Q499-V503 WeakPolarHBondContact O-CG2 3.37Å; Q499-V503 PolarHBondContact O-N 3.25Å |
| 500 | D | 92.7 | Very high | 90.8 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -36.3 | 177.9 | -70.1 | -18.1 | 0 | 0 | 0 | 111.6 | R496 M497 F498 S504 L532 N533 W537 | R496-D500 VanDerWaalsContact O-CG 3.23Å; R496-D500 PolarHBondContact O-N 3.47Å; M497-D500 PolarHBondContact O-N 3.04Å; F498-D500 PolarHBondContact O-N 3.03Å; D500-S504 VanDerWaalsContact O-CB 3.26Å; D500-S504 WeakPolarHBondContact O-CB 3.34Å; D500-S504 PolarHBondContact O-N 3.2Å; D500-L532 HydrophobicContact CB-CD2 4.16Å; D500-N533 VanDerWaalsContact OD2-CB 3.3Å; D500-N533 WeakPolarHBondContact OD2-CB 3.33Å; D500-N533 PolarHBondContact OD2-N 3.47Å; D500-W537 HydrophobicContact CB-CZ2 4.47Å; D500-W537 VanDerWaalsContact OD2-CD1 3.28Å; D500-W537 PolarHBondContact OD2-NE1 3.07Å |
| 501 | I | 91.7 | Very high | 90.9 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 10% | 0.097 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -49.4 | 175.1 | -67.4 | -69.4 | 0 | 0 | 0 | 110.9 | L463 M497 F498 Q499 V503 S504 E505 K530 L532 W537 | L463-I501 HydrophobicContact CB-CD1 4.16Å; L463-I501 HydrophobicContact CB-CG1 4.14Å; L463-I501 HydrophobicContact CD1-CG1 4.36Å; M497-I501 WeakPolarHBondContact O-CG1 3.22Å; M497-I501 PolarHBondContact O-N 3.34Å; M497-I501 VanDerWaalsContact O-N 3.09Å; F498-I501 PolarHBondContact O-N 2.9Å; Q499-I501 VanDerWaalsContact C-N 3.29Å; Q499-I501 PolarHBondContact O-N 3.01Å; I501-V503 PolarHBondContact O-N 3.43Å; I501-S504 WeakPolarHBondContact O-CB 3.4Å; I501-S504 PolarHBondContact O-N 3.28Å; I501-S504 VanDerWaalsContact O-N 3.09Å; I501-E505 WeakPolarHBondContact O-CG 3.3Å; I501-E505 PolarHBondContact O-N 2.99Å; I501-K530 HydrophobicContact CD1-CD 4.42Å; I501-L532 HydrophobicContact CD1-CD2 3.91Å; I501-W537 HydrophobicContact CD1-CH2 3.79Å; I501-W537 HydrophobicContact CD1-CZ2 4.02Å; I501-W537 HydrophobicContact CG1-CH2 3.88Å; I501-W537 HydrophobicContact CG1-CZ2 3.85Å |
| 502 | K | 91.4 | Very high | 90.7 | Very high | 106 Ų | 106 | 55.1 Ų | 55.1 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 178.7 | -67.7 | 176.9 | -176.5 | 174.5 | 0 | 111.3 | E475 F498 Q499 S504 E505 D506 | E475-K502 WeakPolarHBondContact OE1-CE 3.48Å; E475-K502 IonicContact OE1-NZ 2.7Å; E475-K502 PolarHBondContact OE1-NZ 3.33Å; E475-K502 IonicContact OE2-NZ 3.53Å; F498-K502 PolarHBondContact O-N 3.48Å; F498-K502 VanDerWaalsContact O-N 3.15Å; Q499-K502 PolarHBondContact O-N 3.45Å; K502-S504 VanDerWaalsContact C-N 3.27Å; K502-S504 PolarHBondContact O-N 3.44Å; K502-E505 WeakPolarHBondContact O-CB 3.43Å; K502-E505 PolarHBondContact O-N 3.03Å; K502-E505 VanDerWaalsContact O-N 3.13Å; K502-D506 PolarHBondContact O-N 3.36Å; K502-D506 VanDerWaalsContact O-N 3.1Å |
| 503 | V | 92.5 | Very high | 90.5 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 42% | 0.424 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 175.8 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | Q499 I501 D506 L507 | Q499-V503 HydrophobicContact CG-CG2 4.46Å; Q499-V503 WeakPolarHBondContact O-CG2 3.37Å; Q499-V503 PolarHBondContact O-N 3.25Å; I501-V503 PolarHBondContact O-N 3.43Å; V503-D506 PolarHBondContact O-N 3.45Å; V503-L507 HydrophobicContact CG1-CD1 4.23Å; V503-L507 WeakPolarHBondContact O-CG 3.48Å; V503-L507 PolarHBondContact O-N 2.86Å |
| 504 | S | 91.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.8 | -33.9 | 177.4 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | D500 I501 K502 L507 N508 I529 K530 I531 | D500-S504 VanDerWaalsContact O-CB 3.26Å; D500-S504 WeakPolarHBondContact O-CB 3.34Å; D500-S504 PolarHBondContact O-N 3.2Å; I501-S504 WeakPolarHBondContact O-CB 3.4Å; I501-S504 PolarHBondContact O-N 3.28Å; I501-S504 VanDerWaalsContact O-N 3.09Å; K502-S504 VanDerWaalsContact C-N 3.27Å; K502-S504 PolarHBondContact O-N 3.44Å; S504-L507 PolarHBondContact O-N 3.19Å; S504-N508 PolarHBondContact O-N 2.92Å; S504-N508 PolarHBondContact O-ND2 2.91Å; S504-I529 PolarHBondContact OG-O 3.24Å; S504-K530 VanDerWaalsContact OG-CA 3.29Å; S504-K530 WeakPolarHBondContact OG-CA 3.41Å; S504-I531 PolarHBondContact OG-N 3.4Å |
| 505 | E | 90.5 | Very high | 89.4 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 174.3 | -72.5 | 172.8 | 179.3 | 0 | 0 | 111.2 | I501 K502 L507 N508 Q509 | I501-E505 WeakPolarHBondContact O-CG 3.3Å; I501-E505 PolarHBondContact O-N 2.99Å; K502-E505 WeakPolarHBondContact O-CB 3.43Å; K502-E505 PolarHBondContact O-N 3.03Å; K502-E505 VanDerWaalsContact O-N 3.13Å; E505-L507 PolarHBondContact O-N 3.35Å; E505-N508 WeakPolarHBondContact O-CB 3.44Å; E505-N508 PolarHBondContact O-N 3.19Å; E505-Q509 PolarHBondContact O-N 3.49Å; E505-Q509 VanDerWaalsContact O-N 3.09Å |
| 506 | D | 90.8 | Very high | 88.5 | Confident | 97 Ų | 97 | 65.5 Ų | 65.5 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.5 | -63.7 | -24.5 | 0 | 0 | 0 | 111.2 | K502 V503 N508 Q509 V510 | K502-D506 PolarHBondContact O-N 3.36Å; K502-D506 VanDerWaalsContact O-N 3.1Å; V503-D506 PolarHBondContact O-N 3.45Å; D506-N508 VanDerWaalsContact C-N 3.28Å; D506-N508 PolarHBondContact O-N 3.02Å; D506-Q509 PolarHBondContact O-N 3.13Å; D506-Q509 VanDerWaalsContact O-N 3.16Å; D506-V510 WeakPolarHBondContact O-CG2 3.45Å; D506-V510 PolarHBondContact O-N 2.93Å; D506-V510 VanDerWaalsContact O-N 3.12Å |
| 507 | L | 89.5 | Confident | 87.2 | Confident | 26 Ų | 26 | 67.8 Ų | 67.8 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 176.3 | -73.9 | 173.3 | 0 | 0 | 0 | 112.5 | V503 S504 E505 V510 F511 I531 Y563 | V503-L507 HydrophobicContact CG1-CD1 4.23Å; V503-L507 WeakPolarHBondContact O-CG 3.48Å; V503-L507 PolarHBondContact O-N 2.86Å; S504-L507 PolarHBondContact O-N 3.19Å; E505-L507 PolarHBondContact O-N 3.35Å; L507-V510 PolarHBondContact O-N 2.97Å; L507-F511 WeakPolarHBondContact O-CB 3.45Å; L507-F511 PolarHBondContact O-N 3.37Å; L507-I531 HydrophobicContact CD1-CD1 4.45Å; L507-Y563 HydrophobicContact CD1-CE2 4.21Å |
| 508 | N | 89.4 | Confident | 86.1 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.043 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 175.5 | -81.7 | -60.3 | 0 | 0 | 0 | 112.5 | S504 E505 D506 F511 K512 N528 I529 | S504-N508 PolarHBondContact O-N 2.92Å; S504-N508 PolarHBondContact O-ND2 2.91Å; E505-N508 WeakPolarHBondContact O-CB 3.44Å; E505-N508 PolarHBondContact O-N 3.19Å; D506-N508 VanDerWaalsContact C-N 3.28Å; D506-N508 PolarHBondContact O-N 3.02Å; N508-F511 PolarHBondContact O-N 3.43Å; N508-K512 WeakPolarHBondContact O-CB 3.39Å; N508-K512 VanDerWaalsContact O-CG 3.25Å; N508-K512 WeakPolarHBondContact O-CG 3.46Å; N508-K512 PolarHBondContact O-N 3.24Å; N508-N528 PolarHBondContact ND2-OD1 3.28Å; N508-I529 PolarHBondContact ND2-O 3.34Å; N508-I529 WeakPolarHBondContact OD1-CA 3.4Å; N508-I529 WeakPolarHBondContact OD1-CB 3.29Å; N508-I529 PolarHBondContact OD1-N 3.21Å; N508-I529 PolarHBondContact OD1-O 2.92Å |
| 509 | Q | 89.1 | Confident | 84.8 | Confident | 118 Ų | 118 | 81.7 Ų | 81.7 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.2 | -47.5 | 177.2 | -67.6 | 177.9 | 17.1 | 0 | 0 | 110.4 | E505 D506 F511 K512 E513 | E505-Q509 PolarHBondContact O-N 3.49Å; E505-Q509 VanDerWaalsContact O-N 3.09Å; D506-Q509 PolarHBondContact O-N 3.13Å; D506-Q509 VanDerWaalsContact O-N 3.16Å; Q509-F511 VanDerWaalsContact C-N 3.35Å; Q509-F511 PolarHBondContact O-N 2.65Å; Q509-K512 PolarHBondContact O-N 3.37Å; Q509-E513 WeakPolarHBondContact O-CG 3.47Å; Q509-E513 PolarHBondContact O-N 3.17Å |
| 510 | V | 88.7 | Confident | 83.6 | Confident | 63 Ų | 63 | 77.7 Ų | 77.7 | 38% | 0.382 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 177.1 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | D506 L507 E513 M514 F562 | D506-V510 WeakPolarHBondContact O-CG2 3.45Å; D506-V510 PolarHBondContact O-N 2.93Å; D506-V510 VanDerWaalsContact O-N 3.12Å; L507-V510 PolarHBondContact O-N 2.97Å; V510-E513 PolarHBondContact O-N 2.95Å; V510-M514 HydrophobicContact CG1-CG 4.44Å; V510-M514 WeakPolarHBondContact O-CB 3.38Å; V510-M514 VanDerWaalsContact O-CG 3.32Å; V510-M514 WeakPolarHBondContact O-CG 3.44Å; V510-M514 PolarHBondContact O-N 3.04Å; V510-F562 HydrophobicContact CB-CZ 4.22Å; V510-F562 HydrophobicContact CG1-CE2 3.97Å; V510-F562 HydrophobicContact CG1-CZ 3.92Å |
| 511 | F | 86.8 | Confident | 82.3 | Confident | 3 Ų | 3 | 79.4 Ų | 79.4 | 1% | 0.013 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.6 | 179.7 | -99.5 | 0 | 0 | 0 | 111.8 | L507 N508 Q509 E513 M514 H515 L520 I529 L555 V559 F562 | L507-F511 WeakPolarHBondContact O-CB 3.45Å; L507-F511 PolarHBondContact O-N 3.37Å; N508-F511 PolarHBondContact O-N 3.43Å; Q509-F511 VanDerWaalsContact C-N 3.35Å; Q509-F511 PolarHBondContact O-N 2.65Å; F511-E513 PolarHBondContact O-N 3.19Å; F511-M514 PolarHBondContact O-N 2.62Å; F511-H515 AromaticContact CD2-CD2 3.89Å; F511-H515 AromaticContact CE2-CD2 3.69Å; F511-H515 AromaticContact CE2-NE2 3.77Å; F511-H515 PolarHBondContact O-CD2 3.42Å; F511-H515 PolarHBondContact O-N 3.28Å; F511-H515 VanDerWaalsContact O-N 3.11Å; F511-L520 HydrophobicContact CZ-CD1 4.39Å; F511-I529 HydrophobicContact CD1-CD1 4Å; F511-I529 HydrophobicContact CE1-CD1 3.97Å; F511-I529 HydrophobicContact CG-CD1 4.37Å; F511-I529 HydrophobicContact CZ-CD1 4.32Å; F511-L555 HydrophobicContact CZ-CD1 4.16Å; F511-V559 HydrophobicContact CE2-CG2 4.01Å; F511-V559 HydrophobicContact CZ-CG2 3.84Å; F511-F562 HydrophobicContact CB-CD1 4.36Å; F511-F562 HydrophobicContact CB-CE1 3.94Å; F511-F562 HydrophobicContact CB-CE2 4.43Å; F511-F562 HydrophobicContact CB-CZ 3.98Å; F511-F562 HydrophobicContact CD2-CB 4.05Å; F511-F562 AromaticContact CD2-CD1 3.75Å; F511-F562 HydrophobicContact CD2-CD1 3.75Å; F511-F562 HydrophobicContact CD2-CD2 4.13Å; F511-F562 HydrophobicContact CD2-CE1 4.21Å; F511-F562 AromaticContact CD2-CG 3.71Å; F511-F562 HydrophobicContact CD2-CG 3.71Å; F511-F562 HydrophobicContact CE2-CB 4.24Å; F511-F562 HydrophobicContact CE2-CG 4.39Å; F511-F562 HydrophobicContact CG-CD1 4.5Å |
| 512 | K | 86.4 | Confident | 81.3 | Confident | 54 Ų | 54 | 80.7 Ų | 80.7 | 24% | 0.235 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 178.5 | -74.1 | 176.9 | -178.6 | -167.7 | 0 | 112.3 | N508 Q509 H515 K516 D525 V527 | N508-K512 WeakPolarHBondContact O-CB 3.39Å; N508-K512 VanDerWaalsContact O-CG 3.25Å; N508-K512 WeakPolarHBondContact O-CG 3.46Å; N508-K512 PolarHBondContact O-N 3.24Å; Q509-K512 PolarHBondContact O-N 3.37Å; K512-H515 PolarHBondContact O-N 3Å; K512-K516 WeakPolarHBondContact O-CB 3.3Å; K512-K516 PolarHBondContact O-N 3.4Å; K512-D525 PolarHBondContact NZ-O 3.38Å; K512-V527 WeakPolarHBondContact CE-O 3.31Å; K512-V527 PolarHBondContact NZ-O 3.22Å |
| 513 | E | 85.1 | Confident | 80.5 | Confident | 139 Ų | 139 | 80 Ų | 80 | 65% | 0.65 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64 | -46.5 | 177 | -73 | 179.1 | 171.7 | 0 | 0 | 112.1 | Q509 V510 F511 H515 K516 | Q509-E513 WeakPolarHBondContact O-CG 3.47Å; Q509-E513 PolarHBondContact O-N 3.17Å; V510-E513 PolarHBondContact O-N 2.95Å; F511-E513 PolarHBondContact O-N 3.19Å; E513-H515 VanDerWaalsContact C-N 3.29Å; E513-H515 PolarHBondContact O-N 3.19Å; E513-K516 WeakPolarHBondContact O-CB 3.34Å; E513-K516 PolarHBondContact O-N 2.88Å |
| 514 | M | 82 | Confident | 79.4 | Confident | 111 Ų | 111 | 77.1 Ų | 77.1 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -35 | 179.6 | -78.1 | -66.9 | -59.7 | 0 | 0 | 113.1 | V510 F511 | V510-M514 HydrophobicContact CG1-CG 4.44Å; V510-M514 WeakPolarHBondContact O-CB 3.38Å; V510-M514 VanDerWaalsContact O-CG 3.32Å; V510-M514 WeakPolarHBondContact O-CG 3.44Å; V510-M514 PolarHBondContact O-N 3.04Å; F511-M514 PolarHBondContact O-N 2.62Å |
| 515 | H | 77.8 | Confident | 78.6 | Confident | 19 Ų | 19 | 82.4 Ų | 82.4 | 9% | 0.088 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 9.3 | -177.3 | -71 | -98.1 | 0 | 0 | 0 | 114.1 | F511 K512 E513 H517 N518 L520 A524 E558 | F511-H515 AromaticContact CD2-CD2 3.89Å; F511-H515 AromaticContact CE2-CD2 3.69Å; F511-H515 AromaticContact CE2-NE2 3.77Å; F511-H515 PolarHBondContact O-CD2 3.42Å; F511-H515 PolarHBondContact O-N 3.28Å; F511-H515 VanDerWaalsContact O-N 3.11Å; K512-H515 PolarHBondContact O-N 3Å; E513-H515 VanDerWaalsContact C-N 3.29Å; E513-H515 PolarHBondContact O-N 3.19Å; H515-H517 PolarHBondContact O-N 3.43Å; H515-N518 PolarHBondContact O-N 3Å; H515-L520 HydrophobicContact CB-CD1 3.53Å; H515-L520 HydrophobicContact CB-CG 4.22Å; H515-A524 HydrophobicContact CB-CB 4.05Å; H515-E558 IonicContact CE1-OE2 3.42Å; H515-E558 PolarHBondContact CE1-OE2 3.18Å |
| 516 | K | 72.1 | Confident | 78.1 | Confident | 147 Ų | 147 | 81.2 Ų | 81.2 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -61.4 | -29.5 | 179.1 | -164.4 | 173.3 | -176.7 | 174.9 | 0 | 113.6 | K512 E513 | K512-K516 WeakPolarHBondContact O-CB 3.3Å; K512-K516 PolarHBondContact O-N 3.4Å; E513-K516 WeakPolarHBondContact O-CB 3.34Å; E513-K516 PolarHBondContact O-N 2.88Å |
| 517 | H | 66.1 | Low | 77.7 | Confident | 175 Ų | 175 | 77.7 Ų | 77.7 | 81% | 0.81 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -108.6 | -6.7 | -179.7 | -64.4 | -68.6 | 0 | 0 | 0 | 113.8 | H515 | H515-H517 PolarHBondContact O-N 3.43Š|
| 518 | N | 68.9 | Low | 77.6 | Confident | 97 Ų | 97 | 81.4 Ų | 81.4 | 52% | 0.519 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -84.6 | 141.8 | 176.6 | -80.4 | -21.5 | 0 | 0 | 0 | 110.5 | H515 L520 | H515-N518 PolarHBondContact O-N 3Å; N518-L520 VanDerWaalsContact C-N 3.3Å; N518-L520 PolarHBondContact O-N 2.81Å |
| 519 | K | 64.7 | Low | 77.6 | Confident | 217 Ų | 217 | 82 Ų | 82 | 94% | 0.943 | 42% | 0.424 | S | S | * | . | trans | -78.1 | 79.4 | 172.4 | -70.2 | -174.4 | -180 | -179.7 | 0 | 110 | ||||
| 520 | L | 67.9 | Low | 77.6 | Confident | 35 Ų | 35 | 79.6 Ų | 79.6 | 18% | 0.183 | 41% | 0.412 | C | S | . | . | trans | -72.7 | 156.5 | 165 | -73.1 | 176 | 0 | 0 | 0 | 110.6 | F511 H515 N518 L522 A524 L555 E558 | F511-L520 HydrophobicContact CZ-CD1 4.39Å; H515-L520 HydrophobicContact CB-CD1 3.53Å; H515-L520 HydrophobicContact CB-CG 4.22Å; N518-L520 VanDerWaalsContact C-N 3.3Å; N518-L520 PolarHBondContact O-N 2.81Å; L520-L522 WeakPolarHBondContact CB-O 3.3Å; L520-L522 PolarHBondContact O-N 3.19Å; L520-A524 HydrophobicContact CD1-CB 4.13Å; L520-L555 HydrophobicContact CD1-CD1 4.29Å; L520-L555 HydrophobicContact CD2-CD1 4.43Å; L520-E558 HydrophobicContact CD2-CB 4.26Å; L520-E558 HydrophobicContact CD2-CG 3.84Å | ||
| 521 | A | 66.4 | Low | 77.7 | Confident | 59 Ų | 59 | 78 Ų | 78 | 49% | 0.488 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -61.2 | -29.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D554 | A521-D554 HydrophobicContact CB-CB 4.22Š|
| 522 | L | 71.1 | Confident | 77.8 | Confident | 46 Ų | 46 | 80.1 Ų | 80.1 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -121 | 146.6 | 172.8 | -70.6 | 169.7 | 0 | 0 | 0 | 110.5 | L520 A524 V527 E551 L552 | L520-L522 WeakPolarHBondContact CB-O 3.3Å; L520-L522 PolarHBondContact O-N 3.19Å; L522-A524 PolarHBondContact O-N 3.15Å; L522-V527 HydrophobicContact CB-CG2 4.4Å; L522-V527 HydrophobicContact CD1-CG2 4.44Å; L522-E551 HydrophobicContact CD1-CB 4.1Å; L522-E551 HydrophobicContact CD2-CB 4.17Å; L522-E551 HydrophobicContact CG-CB 4.01Å; L522-L552 HydrophobicContact CD1-CD2 3.85Å |
| 523 | P | 74.4 | Confident | 78 | Confident | 91 Ų | 91 | 81.1 Ų | 81.1 | 59% | 0.591 | 42% | 0.42 | S | S | * | . | trans | -55.9 | 126.6 | 171.1 | -22.1 | 32.6 | 0 | 0 | 0 | 110.2 | D525 S526 | P523-D525 PolarHBondContact O-N 3.08Å; P523-D525 VanDerWaalsContact O-N 3.07Å; P523-S526 WeakPolarHBondContact O-CB 3.3Å; P523-S526 PolarHBondContact O-N 3.39Å; P523-S526 PolarHBondContact O-OG 3.12Å | ||
| 524 | A | 69.1 | Low | 77.9 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 8% | 0.083 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -53.7 | -34.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H515 L520 L522 S526 V527 | H515-A524 HydrophobicContact CB-CB 4.05Å; L520-A524 HydrophobicContact CD1-CB 4.13Å; L522-A524 PolarHBondContact O-N 3.15Å; A524-S526 PolarHBondContact O-N 2.91Å; A524-V527 PolarHBondContact O-N 2.76Å |
| 525 | D | 73.8 | Confident | 77.9 | Confident | 112 Ų | 112 | 74.5 Ų | 74.5 | 60% | 0.599 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -64.4 | -24.2 | 178.3 | -68.4 | -25.9 | 0 | 0 | 0 | 114.1 | K512 P523 V527 | K512-D525 PolarHBondContact NZ-O 3.38Å; P523-D525 PolarHBondContact O-N 3.08Å; P523-D525 VanDerWaalsContact O-N 3.07Å; D525-V527 VanDerWaalsContact C-N 3.32Å |
| 526 | S | 78.9 | Confident | 78.2 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -80.9 | -10.2 | -178.5 | 70.7 | 0 | 0 | 0 | 0 | 114.1 | P523 A524 | P523-S526 WeakPolarHBondContact O-CB 3.3Å; P523-S526 PolarHBondContact O-N 3.39Å; P523-S526 PolarHBondContact O-OG 3.12Å; A524-S526 PolarHBondContact O-N 2.91Å |
| 527 | V | 83.2 | Confident | 78.6 | Confident | 24 Ų | 24 | 67.3 Ų | 67.3 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | trans | -108.3 | 140.1 | -177 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | K512 L522 A524 D525 I529 L555 | K512-V527 WeakPolarHBondContact CE-O 3.31Å; K512-V527 PolarHBondContact NZ-O 3.22Å; L522-V527 HydrophobicContact CB-CG2 4.4Å; L522-V527 HydrophobicContact CD1-CG2 4.44Å; A524-V527 PolarHBondContact O-N 2.76Å; D525-V527 VanDerWaalsContact C-N 3.32Å; V527-I529 HydrophobicContact CG1-CD1 4.41Å; V527-I529 HydrophobicContact CG1-CG1 3.83Å; V527-L555 HydrophobicContact CB-CD2 4.19Å; V527-L555 HydrophobicContact CG1-CD2 3.74Å; V527-L555 HydrophobicContact CG2-CD2 3.63Å | ||
| 528 | N | 87.4 | Confident | 78.6 | Confident | 104 Ų | 104 | 61.3 Ų | 61.3 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | trans | -129.1 | 118.1 | 171.8 | -171.8 | 12 | 0 | 0 | 0 | 109.3 | N508 | N508-N528 PolarHBondContact ND2-OD1 3.28Š| ||
| 529 | I | 88.9 | Confident | 78.1 | Confident | 20 Ų | 20 | 66.5 Ų | 66.5 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | trans | -110.2 | 117.2 | -171.9 | -54.1 | 162 | 0 | 0 | 0 | 108.8 | S504 N508 F511 V527 I531 V559 | S504-I529 PolarHBondContact OG-O 3.24Å; N508-I529 PolarHBondContact ND2-O 3.34Å; N508-I529 WeakPolarHBondContact OD1-CA 3.4Å; N508-I529 WeakPolarHBondContact OD1-CB 3.29Å; N508-I529 PolarHBondContact OD1-N 3.21Å; N508-I529 PolarHBondContact OD1-O 2.92Å; F511-I529 HydrophobicContact CD1-CD1 4Å; F511-I529 HydrophobicContact CE1-CD1 3.97Å; F511-I529 HydrophobicContact CG-CD1 4.37Å; F511-I529 HydrophobicContact CZ-CD1 4.32Å; V527-I529 HydrophobicContact CG1-CD1 4.41Å; V527-I529 HydrophobicContact CG1-CG1 3.83Å; I529-I531 HydrophobicContact CG2-CD1 4.33Å; I529-I531 HydrophobicContact CG2-CG1 3.84Å; I529-V559 HydrophobicContact CD1-CB 4.23Å; I529-V559 HydrophobicContact CD1-CG1 3.81Å; I529-V559 HydrophobicContact CD1-CG2 3.32Å; I529-V559 HydrophobicContact CG1-CG2 4.39Å; I529-V559 HydrophobicContact CG2-CG1 4.06Å | ||
| 530 | K | 90 | Very high | 77.8 | Confident | 68 Ų | 68 | 58.9 Ų | 58.9 | 30% | 0.296 | 34% | 0.344 | S | S | . | . | trans | -96.6 | 101.7 | 177 | -67.3 | -172.8 | 175.6 | -176.1 | 0 | 110.7 | L463 I464 I501 S504 L532 | L463-K530 PolarHBondContact O-NZ 3.38Å; I464-K530 PolarHBondContact O-NZ 3.17Å; I501-K530 HydrophobicContact CD1-CD 4.42Å; S504-K530 VanDerWaalsContact OG-CA 3.29Å; S504-K530 WeakPolarHBondContact OG-CA 3.41Å; K530-L532 HydrophobicContact CB-CD1 4.48Å; K530-L532 HydrophobicContact CB-CG 4.4Å | ||
| 531 | I | 90.3 | Very high | 77 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | trans | -96 | 110.1 | 177.7 | -55.2 | -177.4 | 0 | 0 | 0 | 109.1 | S504 L507 I529 Y563 L572 | S504-I531 PolarHBondContact OG-N 3.4Å; L507-I531 HydrophobicContact CD1-CD1 4.45Å; I529-I531 HydrophobicContact CG2-CD1 4.33Å; I529-I531 HydrophobicContact CG2-CG1 3.84Å; I531-Y563 HydrophobicContact CD1-CD2 3.39Å; I531-Y563 HydrophobicContact CD1-CE2 3.76Å; I531-Y563 HydrophobicContact CD1-CG 4.15Å; I531-Y563 HydrophobicContact CG2-CD2 4.34Å; I531-Y563 HydrophobicContact CG2-CE2 3.69Å; I531-L572 HydrophobicContact CG2-CD2 3.84Å | ||
| 532 | L | 90.4 | Very high | 76.7 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | trans | -122 | 149.3 | -169 | -54.2 | 175.9 | 0 | 0 | 0 | 111.6 | I464 D500 I501 K530 A534 W537 | I464-L532 HydrophobicContact CD1-CD1 4.07Å; I464-L532 HydrophobicContact CG1-CD1 3.81Å; D500-L532 HydrophobicContact CB-CD2 4.16Å; I501-L532 HydrophobicContact CD1-CD2 3.91Å; K530-L532 HydrophobicContact CB-CD1 4.48Å; K530-L532 HydrophobicContact CB-CG 4.4Å; L532-A534 PolarHBondContact O-N 3.41Å; L532-W537 HydrophobicContact CB-CD2 4.16Å; L532-W537 HydrophobicContact CB-CG 3.98Å; L532-W537 HydrophobicContact CD1-CD2 3.82Å; L532-W537 HydrophobicContact CD1-CE3 3.79Å; L532-W537 HydrophobicContact CD1-CG 4.4Å; L532-W537 HydrophobicContact CD1-CH2 4.11Å; L532-W537 HydrophobicContact CD1-CZ2 4.12Å; L532-W537 HydrophobicContact CD1-CZ3 3.96Å; L532-W537 HydrophobicContact CD2-CH2 4.38Å; L532-W537 HydrophobicContact CD2-CZ2 3.8Å; L532-W537 HydrophobicContact CG-CD2 4.4Å; L532-W537 HydrophobicContact CG-CZ2 4.45Å | ||
| 533 | N | 88.8 | Confident | 76.4 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 41% | 0.406 | 39% | 0.386 | S | S | . | . | trans | -76.7 | 114.2 | 179.2 | -176.5 | -13.5 | 0 | 0 | 0 | 111.7 | D500 G535 A536 W537 | D500-N533 VanDerWaalsContact OD2-CB 3.3Å; D500-N533 WeakPolarHBondContact OD2-CB 3.33Å; D500-N533 PolarHBondContact OD2-N 3.47Å; N533-G535 PolarHBondContact O-N 2.85Å; N533-G535 PolarHBondContact OD1-N 3.2Å; N533-A536 HydrophobicContact CB-CB 4.49Å; N533-A536 PolarHBondContact O-N 3.42Å; N533-W537 VanDerWaalsContact O-CD1 3.28Å; N533-W537 PolarHBondContact O-N 3.19Å | ||
| 534 | A | 83.7 | Confident | 76.5 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L532 W537 | L532-A534 PolarHBondContact O-N 3.41Å; A534-W537 CarbonylContact C-O 3.54Å |
| 535 | G | 82.8 | Confident | 77 | Confident | 54 Ų | 54 | 71.5 Ų | 71.5 | 56% | 0.557 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -32.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N533 | N533-G535 PolarHBondContact O-N 2.85Å; N533-G535 PolarHBondContact OD1-N 3.2Å |
| 536 | A | 82.8 | Confident | 77.5 | Confident | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.017 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K456 R496 M497 N533 | K456-A536 WeakPolarHBondContact CE-O 3.29Å; K456-A536 PolarHBondContact NZ-O 3Å; R496-A536 HydrophobicContact CB-CB 4.44Å; R496-A536 HydrophobicContact CG-CB 4.17Å; M497-A536 HydrophobicContact CG-CB 4.45Å; N533-A536 HydrophobicContact CB-CB 4.49Å; N533-A536 PolarHBondContact O-N 3.42Å |
| 537 | W | 81.8 | Confident | 77.9 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 5% | 0.053 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -91.1 | 115.3 | 178.8 | -59.9 | 77.3 | 0 | 0 | 0 | 108.5 | T460 L463 I464 M497 D500 I501 L532 N533 A534 R539 | T460-W537 HydrophobicContact CG2-CE3 3.78Å; T460-W537 HydrophobicContact CG2-CZ3 4.1Å; L463-W537 HydrophobicContact CB-CH2 3.58Å; L463-W537 HydrophobicContact CB-CZ3 4.08Å; L463-W537 HydrophobicContact CD1-CH2 3.64Å; L463-W537 HydrophobicContact CD1-CZ2 4.23Å; L463-W537 HydrophobicContact CD1-CZ3 4.43Å; L463-W537 HydrophobicContact CG-CH2 4.27Å; I464-W537 HydrophobicContact CD1-CE3 4.05Å; I464-W537 HydrophobicContact CD1-CZ3 3.98Å; I464-W537 HydrophobicContact CG1-CE3 4.23Å; I464-W537 HydrophobicContact CG1-CH2 4.43Å; I464-W537 HydrophobicContact CG1-CZ3 3.69Å; M497-W537 HydrophobicContact CB-CD2 4.39Å; M497-W537 HydrophobicContact CB-CH2 4.06Å; M497-W537 HydrophobicContact CB-CZ2 3.46Å; M497-W537 VanDerWaalsContact CB-CZ2 3.46Å; M497-W537 HydrophobicContact CE-CD2 4.11Å; M497-W537 HydrophobicContact CE-CE3 3.78Å; M497-W537 HydrophobicContact CE-CH2 4Å; M497-W537 HydrophobicContact CE-CZ2 4.32Å; M497-W537 HydrophobicContact CE-CZ3 3.7Å; M497-W537 HydrophobicContact CG-CD2 3.89Å; M497-W537 HydrophobicContact CG-CE3 4.5Å; M497-W537 HydrophobicContact CG-CG 4.24Å; M497-W537 HydrophobicContact CG-CZ2 3.91Å; M497-W537 VanDerWaalsContact O-CZ2 3.28Å; M497-W537 WeakPolarHBondContact O-CZ2 3.15Å; D500-W537 HydrophobicContact CB-CZ2 4.47Å; D500-W537 VanDerWaalsContact OD2-CD1 3.28Å; D500-W537 PolarHBondContact OD2-NE1 3.07Å; I501-W537 HydrophobicContact CD1-CH2 3.79Å; I501-W537 HydrophobicContact CD1-CZ2 4.02Å; I501-W537 HydrophobicContact CG1-CH2 3.88Å; I501-W537 HydrophobicContact CG1-CZ2 3.85Å; L532-W537 HydrophobicContact CB-CD2 4.16Å; L532-W537 HydrophobicContact CB-CG 3.98Å; L532-W537 HydrophobicContact CD1-CD2 3.82Å; L532-W537 HydrophobicContact CD1-CE3 3.79Å; L532-W537 HydrophobicContact CD1-CG 4.4Å; L532-W537 HydrophobicContact CD1-CH2 4.11Å; L532-W537 HydrophobicContact CD1-CZ2 4.12Å; L532-W537 HydrophobicContact CD1-CZ3 3.96Å; L532-W537 HydrophobicContact CD2-CH2 4.38Å; L532-W537 HydrophobicContact CD2-CZ2 3.8Å; L532-W537 HydrophobicContact CG-CD2 4.4Å; L532-W537 HydrophobicContact CG-CZ2 4.45Å; N533-W537 VanDerWaalsContact O-CD1 3.28Å; N533-W537 PolarHBondContact O-N 3.19Å; A534-W537 CarbonylContact C-O 3.54Å; W537-R539 PolarHBondContact O-N 3.37Å |
| 538 | S | 64.9 | Low | 78.1 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | trans | -50.3 | 138.6 | -168.6 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | R453 S540 | R453-S538 PolarHBondContact NH2-OG 3.3Å; R453-S538 VanDerWaalsContact NH2-OG 3.14Å; S538-S540 PolarHBondContact O-N 3.26Å | ||
| 539 | R | 59.6 | Low | 77.9 | Confident | 207 Ų | 207 | 60.8 Ų | 60.8 | 78% | 0.781 | 33% | 0.331 | S | S | * | . | trans | -71.4 | 108.7 | 170.4 | -59.9 | -175 | -168.8 | -169.1 | 3.9 | 108.5 | W537 S541 | W537-R539 PolarHBondContact O-N 3.37Å; R539-S541 PolarHBondContact O-N 3.33Å | ||
| 540 | S | 56.8 | Low | 77.7 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | trans | -64.3 | 123.9 | 151.5 | 41.3 | 0 | 0 | 0 | 0 | 106.5 | S538 E542 H575 | S538-S540 PolarHBondContact O-N 3.26Å; S540-E542 PolarHBondContact O-N 3Å; S540-H575 PolarHBondContact OG-CD2 2.94Å; S540-H575 VanDerWaalsContact OG-CD2 3.25Å; S540-H575 PolarHBondContact OG-NE2 2.98Å | ||
| 541 | S | 52.3 | Low | 77.3 | Confident | 110 Ų | 110 | 63.6 Ų | 63.6 | 77% | 0.769 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -71.4 | -19.8 | -179.8 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | R539 | R539-S541 PolarHBondContact O-N 3.33Š|
| 542 | E | 59.7 | Low | 77.1 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 36% | 0.36 | 36% | 0.355 | S | S | . | . | trans | -92.8 | 106.2 | -173.8 | -155.4 | 170.2 | -153.1 | 0 | 0 | 111.3 | S540 V544 R699 | S540-E542 PolarHBondContact O-N 3Å; E542-V544 PolarHBondContact O-N 2.96Å; E542-R699 IonicContact OE1-CZ 3.04Å; E542-R699 VanDerWaalsContact OE1-CZ 3.32Å; E542-R699 IonicContact OE1-NH1 3Å; E542-R699 PolarHBondContact OE1-NH1 3.34Å; E542-R699 VanDerWaalsContact OE1-NH1 3.14Å; E542-R699 IonicContact OE1-NH2 3.47Å; E542-R699 PolarHBondContact OE1-NH2 3.33Å; E542-R699 IonicContact OE2-CZ 2.7Å; E542-R699 IonicContact OE2-NE 2.71Å; E542-R699 IonicContact OE2-NH1 3.43Å; E542-R699 PolarHBondContact OE2-NH1 2.91Å; E542-R699 VanDerWaalsContact OE2-NH1 3.13Å; E542-R699 IonicContact OE2-NH2 3.57Å; E542-R699 PolarHBondContact OE2-NH2 3.41Å | ||
| 543 | K | 65.9 | Low | 76.8 | Confident | 154 Ų | 154 | 67.8 Ų | 67.8 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | trans | -75 | 107.8 | 163.8 | -70.2 | -176.1 | -179.9 | -177.7 | 0 | 108 | F545 | K543-F545 HydrophobicContact CB-CE2 4.49Å; K543-F545 PolarHBondContact O-N 3.23Å | ||
| 544 | V | 75.4 | Confident | 76.7 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | trans | -85 | 109.1 | 168.3 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | E542 F599 L626 P627 | E542-V544 PolarHBondContact O-N 2.96Å; V544-F599 HydrophobicContact CB-CZ 3.81Å; V544-F599 HydrophobicContact CG1-CE1 4.08Å; V544-F599 HydrophobicContact CG1-CE2 4.02Å; V544-F599 HydrophobicContact CG1-CZ 3.46Å; V544-F599 VanDerWaalsContact CG1-CZ 3.46Å; V544-F599 HydrophobicContact CG2-CZ 4.41Å; V544-L626 HydrophobicContact CG1-CD2 4.01Å; V544-P627 HydrophobicContact CG1-CG 3.98Å | ||
| 545 | F | 78.8 | Confident | 76.8 | Confident | 144 Ų | 144 | 66.5 Ų | 66.5 | 63% | 0.632 | 35% | 0.354 | S | S | * | . | trans | -69.5 | 140.5 | 171 | -64.5 | -80.6 | 0 | 0 | 0 | 109.2 | K543 | K543-F545 HydrophobicContact CB-CE2 4.49Å; K543-F545 PolarHBondContact O-N 3.23Å | ||
| 546 | V | 85.6 | Confident | 77 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | trans | -150.5 | 132.5 | 176.1 | 59.8 | 0 | 0 | 0 | 0 | 108.7 | L548 H576 F599 A602 T624 L626 | V546-L548 HydrophobicContact CG1-CD2 3.9Å; V546-L548 PolarHBondContact O-N 3.28Å; V546-H576 HydrophobicContact CG1-CB 3.77Å; V546-F599 HydrophobicContact CB-CD1 4.26Å; V546-F599 HydrophobicContact CB-CE1 4.19Å; V546-F599 HydrophobicContact CG1-CD1 4.3Å; V546-F599 HydrophobicContact CG1-CE1 4.04Å; V546-F599 HydrophobicContact CG2-CD1 4.15Å; V546-A602 HydrophobicContact CG2-CB 3.63Å; V546-T624 WeakPolarHBondContact CA-O 3.15Å; V546-L626 HydrophobicContact CB-CD2 3.84Å; V546-L626 HydrophobicContact CG2-CD2 3.83Å; V546-L626 HydrophobicContact CG2-CG 4.14Å | ||
| 547 | S | 87.3 | Confident | 77.3 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 118.7 | 169.6 | -47.3 | 0 | 0 | 0 | 0 | 108.8 | A602 T624 E625 | S547-A602 WeakPolarHBondContact O-CB 3.44Å; S547-T624 PolarHBondContact N-O 3.22Å; S547-E625 WeakPolarHBondContact OG-CG 2.99Å |
| 548 | L | 86.4 | Confident | 77.5 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 14% | 0.141 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 156.4 | -179.3 | -61.3 | 175.2 | 0 | 0 | 0 | 110.5 | V546 L552 I556 T598 | V546-L548 HydrophobicContact CG1-CD2 3.9Å; V546-L548 PolarHBondContact O-N 3.28Å; L548-L552 HydrophobicContact CB-CB 4.33Å; L548-I556 HydrophobicContact CD1-CD1 3.47Å; L548-I556 VanDerWaalsContact CD1-CD1 3.47Å; L548-T598 HydrophobicContact CD2-CG2 3.41Å; L548-T598 VanDerWaalsContact CD2-CG2 3.41Å |
| 549 | P | 84.8 | Confident | 78.6 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 149.5 | 166.9 | -29.3 | 41.2 | 0 | 0 | 0 | 112.3 | E551 L552 E553 L601 F605 | P549-E551 VanDerWaalsContact CB-OE2 3.32Å; P549-E551 WeakPolarHBondContact CB-OE2 3.19Å; P549-E551 PolarHBondContact O-N 3.2Å; P549-E551 VanDerWaalsContact O-N 3.14Å; P549-L552 PolarHBondContact O-N 2.84Å; P549-E553 PolarHBondContact O-N 3.39Å; P549-L601 VanDerWaalsContact CD-CD2 3.44Å; P549-L601 HydrophobicContact CG-CD2 3.36Å; P549-L601 HydrophobicContact CG-CG 4.49Å; P549-F605 HydrophobicContact CB-CD1 3.92Å; P549-F605 HydrophobicContact CB-CD2 3.73Å; P549-F605 HydrophobicContact CB-CE1 3.92Å; P549-F605 HydrophobicContact CB-CE2 3.71Å; P549-F605 HydrophobicContact CB-CG 3.82Å; P549-F605 HydrophobicContact CB-CZ 3.81Å; P549-F605 HydrophobicContact CG-CB 3.81Å; P549-F605 HydrophobicContact CG-CD1 4.02Å; P549-F605 HydrophobicContact CG-CD2 3.77Å; P549-F605 HydrophobicContact CG-CE2 4.28Å; P549-F605 HydrophobicContact CG-CG 3.6Å |
| 550 | T | 83.4 | Confident | 80.1 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -53.3 | -38.4 | -177.7 | -48.3 | 0 | 0 | 0 | 0 | 112 | L552 E553 D554 | T550-L552 PolarHBondContact O-N 3.29Å; T550-E553 PolarHBondContact O-N 3.02Å; T550-D554 WeakPolarHBondContact O-CB 3.16Å; T550-D554 VanDerWaalsContact O-CG 3.28Å; T550-D554 PolarHBondContact O-N 2.98Å |
| 551 | E | 82.6 | Confident | 81.6 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.1 | -29 | 179.6 | -56.5 | 89.2 | 162.1 | 0 | 0 | 113.4 | L522 P549 F605 | L522-E551 HydrophobicContact CD1-CB 4.1Å; L522-E551 HydrophobicContact CD2-CB 4.17Å; L522-E551 HydrophobicContact CG-CB 4.01Å; P549-E551 VanDerWaalsContact CB-OE2 3.32Å; P549-E551 WeakPolarHBondContact CB-OE2 3.19Å; P549-E551 PolarHBondContact O-N 3.2Å; P549-E551 VanDerWaalsContact O-N 3.14Å; E551-F605 WeakPolarHBondContact OE2-CE2 3.41Å; E551-F605 WeakPolarHBondContact OE2-CZ 3.29Å |
| 552 | L | 84.8 | Confident | 83.3 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -90.1 | -34.1 | 175.1 | -66.1 | -178.5 | 0 | 0 | 0 | 112 | L522 L548 P549 T550 L555 I556 L601 | L522-L552 HydrophobicContact CD1-CD2 3.85Å; L548-L552 HydrophobicContact CB-CB 4.33Å; P549-L552 PolarHBondContact O-N 2.84Å; T550-L552 PolarHBondContact O-N 3.29Å; L552-L555 WeakPolarHBondContact O-CB 3.29Å; L552-L555 PolarHBondContact O-N 3.33Å; L552-I556 PolarHBondContact O-N 3.49Å; L552-L601 HydrophobicContact CD1-CD1 4.48Å; L552-L601 HydrophobicContact CD1-CD2 3.78Å |
| 553 | E | 85.3 | Confident | 84.7 | Confident | 116 Ų | 116 | 57.2 Ų | 57.2 | 54% | 0.542 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 177.4 | -169 | 173 | -166.7 | 0 | 0 | 111.3 | P549 T550 L555 I556 P557 | P549-E553 PolarHBondContact O-N 3.39Å; T550-E553 PolarHBondContact O-N 3.02Å; E553-L555 PolarHBondContact O-N 3.06Å; E553-I556 PolarHBondContact O-N 2.92Å; E553-P557 WeakPolarHBondContact O-CD 3.48Å |
| 554 | D | 86.3 | Confident | 85.8 | Confident | 91 Ų | 91 | 56.8 Ų | 56.8 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26.3 | 176 | -69.7 | -18.7 | 0 | 0 | 0 | 112.6 | A521 T550 | A521-D554 HydrophobicContact CB-CB 4.22Å; T550-D554 WeakPolarHBondContact O-CB 3.16Å; T550-D554 VanDerWaalsContact O-CG 3.28Å; T550-D554 PolarHBondContact O-N 2.98Å |
| 555 | L | 85.3 | Confident | 86.4 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -79.9 | -32.3 | -178.4 | -176.2 | 67.3 | 0 | 0 | 0 | 112.8 | F511 L520 V527 L552 E553 E558 V559 | F511-L555 HydrophobicContact CZ-CD1 4.16Å; L520-L555 HydrophobicContact CD1-CD1 4.29Å; L520-L555 HydrophobicContact CD2-CD1 4.43Å; V527-L555 HydrophobicContact CB-CD2 4.19Å; V527-L555 HydrophobicContact CG1-CD2 3.74Å; V527-L555 HydrophobicContact CG2-CD2 3.63Å; L552-L555 WeakPolarHBondContact O-CB 3.29Å; L552-L555 PolarHBondContact O-N 3.33Å; E553-L555 PolarHBondContact O-N 3.06Å; L555-E558 PolarHBondContact O-N 3.17Å; L555-V559 HydrophobicContact CD1-CG2 4.41Å; L555-V559 HydrophobicContact CG-CG2 4.16Å; L555-V559 WeakPolarHBondContact O-CG2 3.28Å; L555-V559 PolarHBondContact O-N 3.23Å; L555-V559 VanDerWaalsContact O-N 3.15Å |
| 556 | I | 87.8 | Confident | 86.7 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.4 | -49.6 | -175.8 | -77.5 | 168.2 | 0 | 0 | 0 | 112.3 | L548 L552 E553 E558 V559 E560 W574 | L548-I556 HydrophobicContact CD1-CD1 3.47Å; L548-I556 VanDerWaalsContact CD1-CD1 3.47Å; L552-I556 PolarHBondContact O-N 3.49Å; E553-I556 PolarHBondContact O-N 2.92Å; I556-E558 VanDerWaalsContact C-N 3.34Å; I556-E558 PolarHBondContact O-N 2.79Å; I556-V559 PolarHBondContact O-N 2.76Å; I556-E560 HydrophobicContact CG2-CG 4.46Å; I556-E560 WeakPolarHBondContact O-CG 3.41Å; I556-E560 PolarHBondContact O-N 2.7Å; I556-W574 HydrophobicContact CB-CZ2 4.07Å; I556-W574 HydrophobicContact CG1-CD2 4.31Å; I556-W574 HydrophobicContact CG1-CH2 4.06Å; I556-W574 HydrophobicContact CG1-CZ2 3.86Å; I556-W574 HydrophobicContact CG1-CZ3 4.39Å; I556-W574 HydrophobicContact CG2-CZ2 3.76Å |
| 557 | P | 88.4 | Confident | 86.8 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 178.2 | -25.6 | 34.5 | 0 | 0 | 0 | 113.5 | E553 V559 E560 D561 | E553-P557 WeakPolarHBondContact O-CD 3.48Å; P557-V559 VanDerWaalsContact C-N 3.31Å; P557-V559 PolarHBondContact O-N 3.45Å; P557-E560 PolarHBondContact O-N 2.85Å; P557-D561 WeakPolarHBondContact O-CB 3.24Å; P557-D561 PolarHBondContact O-N 3.14Å |
| 558 | E | 87.1 | Confident | 86.7 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 178.7 | -67.1 | -68.8 | 151.5 | 0 | 0 | 111.4 | H515 L520 L555 I556 F562 | H515-E558 IonicContact CE1-OE2 3.42Å; H515-E558 PolarHBondContact CE1-OE2 3.18Å; L520-E558 HydrophobicContact CD2-CB 4.26Å; L520-E558 HydrophobicContact CD2-CG 3.84Å; L555-E558 PolarHBondContact O-N 3.17Å; I556-E558 VanDerWaalsContact C-N 3.34Å; I556-E558 PolarHBondContact O-N 2.79Å; E558-F562 VanDerWaalsContact O-CB 3.31Å; E558-F562 WeakPolarHBondContact O-CB 3.42Å; E558-F562 PolarHBondContact O-N 2.93Å |
| 559 | V | 87.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 175.7 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | F511 I529 L555 I556 P557 F562 Y563 L572 W574 | F511-V559 HydrophobicContact CE2-CG2 4.01Å; F511-V559 HydrophobicContact CZ-CG2 3.84Å; I529-V559 HydrophobicContact CD1-CB 4.23Å; I529-V559 HydrophobicContact CD1-CG1 3.81Å; I529-V559 HydrophobicContact CD1-CG2 3.32Å; I529-V559 HydrophobicContact CG1-CG2 4.39Å; I529-V559 HydrophobicContact CG2-CG1 4.06Å; L555-V559 HydrophobicContact CD1-CG2 4.41Å; L555-V559 HydrophobicContact CG-CG2 4.16Å; L555-V559 WeakPolarHBondContact O-CG2 3.28Å; L555-V559 PolarHBondContact O-N 3.23Å; L555-V559 VanDerWaalsContact O-N 3.15Å; I556-V559 PolarHBondContact O-N 2.76Å; P557-V559 VanDerWaalsContact C-N 3.31Å; P557-V559 PolarHBondContact O-N 3.45Å; V559-F562 PolarHBondContact O-N 2.77Å; V559-Y563 WeakPolarHBondContact O-CB 3.47Å; V559-Y563 PolarHBondContact O-N 3.4Å; V559-L572 HydrophobicContact CG1-CD1 4.44Å; V559-W574 HydrophobicContact CB-CH2 3.98Å; V559-W574 HydrophobicContact CB-CZ2 4.19Å; V559-W574 HydrophobicContact CG1-CH2 3.77Å; V559-W574 HydrophobicContact CG1-CZ2 4.11Å; V559-W574 HydrophobicContact CG2-CH2 4.41Å |
| 560 | E | 89.5 | Confident | 86.8 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 177.3 | -73.1 | -173.3 | 175.8 | 0 | 0 | 111.8 | I556 P557 Y563 K564 L572 W574 | I556-E560 HydrophobicContact CG2-CG 4.46Å; I556-E560 WeakPolarHBondContact O-CG 3.41Å; I556-E560 PolarHBondContact O-N 2.7Å; P557-E560 PolarHBondContact O-N 2.85Å; E560-Y563 PolarHBondContact O-N 3.44Å; E560-K564 WeakPolarHBondContact O-CB 3.11Å; E560-K564 PolarHBondContact O-N 2.59Å; E560-L572 HydrophobicContact CG-CD1 4.18Å; E560-W574 HydrophobicContact CG-CZ2 4.25Å; E560-W574 PolarHBondContact OE1-NE1 2.73Å |
| 561 | D | 88.6 | Confident | 86.9 | Confident | 75 Ų | 75 | 81.7 Ų | 81.7 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 177.4 | -86.8 | -8.4 | 0 | 0 | 0 | 112.1 | P557 Y563 K564 R565 | P557-D561 WeakPolarHBondContact O-CB 3.24Å; P557-D561 PolarHBondContact O-N 3.14Å; D561-Y563 VanDerWaalsContact C-N 3.33Å; D561-Y563 PolarHBondContact O-N 3.48Å; D561-K564 PolarHBondContact O-N 3.02Å; D561-R565 VanDerWaalsContact O-CG 3.26Å; D561-R565 WeakPolarHBondContact O-CG 3.36Å; D561-R565 PolarHBondContact O-N 3.32Å |
| 562 | F | 88.1 | Confident | 87.1 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 7% | 0.07 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -55.2 | -49.6 | 172.2 | 168.3 | -102.5 | 0 | 0 | 0 | 111.3 | V510 F511 E558 V559 R565 N566 | V510-F562 HydrophobicContact CB-CZ 4.22Å; V510-F562 HydrophobicContact CG1-CE2 3.97Å; V510-F562 HydrophobicContact CG1-CZ 3.92Å; F511-F562 HydrophobicContact CB-CD1 4.36Å; F511-F562 HydrophobicContact CB-CE1 3.94Å; F511-F562 HydrophobicContact CB-CE2 4.43Å; F511-F562 HydrophobicContact CB-CZ 3.98Å; F511-F562 HydrophobicContact CD2-CB 4.05Å; F511-F562 AromaticContact CD2-CD1 3.75Å; F511-F562 HydrophobicContact CD2-CD1 3.75Å; F511-F562 HydrophobicContact CD2-CD2 4.13Å; F511-F562 HydrophobicContact CD2-CE1 4.21Å; F511-F562 AromaticContact CD2-CG 3.71Å; F511-F562 HydrophobicContact CD2-CG 3.71Å; F511-F562 HydrophobicContact CE2-CB 4.24Å; F511-F562 HydrophobicContact CE2-CG 4.39Å; F511-F562 HydrophobicContact CG-CD1 4.5Å; E558-F562 VanDerWaalsContact O-CB 3.31Å; E558-F562 WeakPolarHBondContact O-CB 3.42Å; E558-F562 PolarHBondContact O-N 2.93Å; V559-F562 PolarHBondContact O-N 2.77Å; F562-R565 PolarHBondContact O-N 3.45Å; F562-N566 VanDerWaalsContact CE2-ND2 3.29Å; F562-N566 WeakPolarHBondContact CE2-ND2 3.44Å; F562-N566 WeakPolarHBondContact CZ-ND2 3.44Å; F562-N566 PolarHBondContact O-N 2.84Å |
| 563 | Y | 89.7 | Confident | 87.2 | Confident | 21 Ų | 21 | 83.8 Ų | 83.8 | 8% | 0.082 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.2 | -40.3 | -178.3 | -167.8 | -102.2 | 0 | 0 | 0 | 112.2 | L507 I531 V559 E560 D561 R565 N566 H567 R570 L572 | L507-Y563 HydrophobicContact CD1-CE2 4.21Å; I531-Y563 HydrophobicContact CD1-CD2 3.39Å; I531-Y563 HydrophobicContact CD1-CE2 3.76Å; I531-Y563 HydrophobicContact CD1-CG 4.15Å; I531-Y563 HydrophobicContact CG2-CD2 4.34Å; I531-Y563 HydrophobicContact CG2-CE2 3.69Å; V559-Y563 WeakPolarHBondContact O-CB 3.47Å; V559-Y563 PolarHBondContact O-N 3.4Å; E560-Y563 PolarHBondContact O-N 3.44Å; D561-Y563 VanDerWaalsContact C-N 3.33Å; D561-Y563 PolarHBondContact O-N 3.48Å; Y563-R565 VanDerWaalsContact C-N 3.34Å; Y563-R565 PolarHBondContact O-N 3.08Å; Y563-N566 PolarHBondContact O-N 3.45Å; Y563-H567 HydrophobicContact CD1-CB 4.42Å; Y563-H567 AromaticContact CD2-CD2 3.68Å; Y563-H567 HydrophobicContact CE1-CB 4.05Å; Y563-H567 AromaticContact CE2-CD2 3.3Å; Y563-H567 WeakPolarHBondContact CE2-CD2 3.41Å; Y563-H567 AromaticContact CE2-NE2 3.96Å; Y563-H567 AromaticContact CZ-CD2 3.63Å; Y563-H567 WeakPolarHBondContact O-CB 3.5Å; Y563-H567 PolarHBondContact O-N 2.88Å; Y563-R570 HydrophobicContact CE1-CB 3.86Å; Y563-R570 PolarHBondContact OH-NH1 3.03Å; Y563-L572 HydrophobicContact CD1-CD1 4.08Å; Y563-L572 HydrophobicContact CD1-CD2 3.65Å; Y563-L572 HydrophobicContact CD1-CG 3.79Å; Y563-L572 HydrophobicContact CE1-CD2 3.73Å; Y563-L572 HydrophobicContact CE1-CG 4.32Å; Y563-L572 HydrophobicContact CG-CD1 4.01Å; Y563-L572 HydrophobicContact CG-CD2 4.06Å; Y563-L572 HydrophobicContact CG-CG 4.22Å |
| 564 | K | 90 | Very high | 87.2 | Confident | 144 Ų | 144 | 82.7 Ų | 82.7 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.3 | -35.4 | 179.4 | -174.5 | -179.8 | 179.6 | -174.5 | 0 | 112.6 | E560 D561 H567 | E560-K564 WeakPolarHBondContact O-CB 3.11Å; E560-K564 PolarHBondContact O-N 2.59Å; D561-K564 PolarHBondContact O-N 3.02Å; K564-H567 CarbonylContact O-C 3.54Å |
| 565 | R | 87.8 | Confident | 87.2 | Confident | 198 Ų | 198 | 81.9 Ų | 81.9 | 75% | 0.747 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 174.6 | -73.7 | 172.9 | -169.9 | 177.6 | 7.5 | 111.8 | D561 F562 Y563 | D561-R565 VanDerWaalsContact O-CG 3.26Å; D561-R565 WeakPolarHBondContact O-CG 3.36Å; D561-R565 PolarHBondContact O-N 3.32Å; F562-R565 PolarHBondContact O-N 3.45Å; Y563-R565 VanDerWaalsContact C-N 3.34Å; Y563-R565 PolarHBondContact O-N 3.08Å |
| 566 | N | 85 | Confident | 87.2 | Confident | 82 Ų | 82 | 82.8 Ų | 82.8 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -83.9 | -24.7 | -178.1 | -65.8 | -18.2 | 0 | 0 | 0 | 113.1 | F562 Y563 | F562-N566 VanDerWaalsContact CE2-ND2 3.29Å; F562-N566 WeakPolarHBondContact CE2-ND2 3.44Å; F562-N566 WeakPolarHBondContact CZ-ND2 3.44Å; F562-N566 PolarHBondContact O-N 2.84Å; Y563-N566 PolarHBondContact O-N 3.45Å |
| 567 | H | 86.4 | Confident | 86.9 | Confident | 52 Ų | 52 | 82.9 Ų | 82.9 | 24% | 0.241 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -138.7 | 89.7 | -175.7 | -58.8 | -66.5 | 0 | 0 | 0 | 112.1 | Y563 K564 R570 | Y563-H567 HydrophobicContact CD1-CB 4.42Å; Y563-H567 AromaticContact CD2-CD2 3.68Å; Y563-H567 HydrophobicContact CE1-CB 4.05Å; Y563-H567 AromaticContact CE2-CD2 3.3Å; Y563-H567 WeakPolarHBondContact CE2-CD2 3.41Å; Y563-H567 AromaticContact CE2-NE2 3.96Å; Y563-H567 AromaticContact CZ-CD2 3.63Å; Y563-H567 WeakPolarHBondContact O-CB 3.5Å; Y563-H567 PolarHBondContact O-N 2.88Å; K564-H567 CarbonylContact O-C 3.54Å; H567-R570 HydrophobicContact CB-CG 4.4Å |
| 568 | S | 86.9 | Confident | 86.6 | Confident | 112 Ų | 112 | 80.9 Ų | 80.9 | 78% | 0.783 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 143.1 | 174.9 | 61.8 | 0 | 0 | 0 | 0 | 112 | R570 | S568-R570 VanDerWaalsContact C-N 3.35Å; S568-R570 PolarHBondContact O-N 3.48Å |
| 569 | G | 85.3 | Confident | 86.6 | Confident | 90 Ų | 90 | 79.2 Ų | 79.2 | 93% | 0.928 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 5.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 570 | R | 87.3 | Confident | 86.7 | Confident | 154 Ų | 154 | 82.6 Ų | 82.6 | 58% | 0.581 | 41% | 0.411 | S | S | * | . | trans | -105.4 | 151.7 | 175.3 | -59.6 | -171.1 | -173.8 | 175.6 | -0.2 | 111.5 | Y563 H567 S568 | Y563-R570 HydrophobicContact CE1-CB 3.86Å; Y563-R570 PolarHBondContact OH-NH1 3.03Å; H567-R570 HydrophobicContact CB-CG 4.4Å; S568-R570 VanDerWaalsContact C-N 3.35Å; S568-R570 PolarHBondContact O-N 3.48Å | ||
| 571 | K | 85 | Confident | 86.7 | Confident | 170 Ų | 170 | 79.8 Ų | 79.8 | 74% | 0.739 | 40% | 0.404 | S | S | * | . | trans | -127 | 128.9 | 177.1 | -174.9 | 176.1 | -178.2 | 175.6 | 0 | 110.7 | H573 | K571-H573 PolarHBondContact O-ND1 2.95Š| ||
| 572 | L | 87.8 | Confident | 86.8 | Confident | 34 Ų | 34 | 80.9 Ų | 80.9 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | trans | -79.2 | 147.9 | 175.9 | -64.9 | -178.7 | 0 | 0 | 0 | 111.3 | I531 V559 E560 Y563 | I531-L572 HydrophobicContact CG2-CD2 3.84Å; V559-L572 HydrophobicContact CG1-CD1 4.44Å; E560-L572 HydrophobicContact CG-CD1 4.18Å; Y563-L572 HydrophobicContact CD1-CD1 4.08Å; Y563-L572 HydrophobicContact CD1-CD2 3.65Å; Y563-L572 HydrophobicContact CD1-CG 3.79Å; Y563-L572 HydrophobicContact CE1-CD2 3.73Å; Y563-L572 HydrophobicContact CE1-CG 4.32Å; Y563-L572 HydrophobicContact CG-CD1 4.01Å; Y563-L572 HydrophobicContact CG-CD2 4.06Å; Y563-L572 HydrophobicContact CG-CG 4.22Å | ||
| 573 | H | 85.6 | Confident | 86.9 | Confident | 129 Ų | 129 | 82 Ų | 82 | 60% | 0.597 | 42% | 0.415 | S | S | * | . | trans | -132.1 | 116.6 | 174.4 | -67.1 | 80.6 | 0 | 0 | 0 | 107.6 | K571 | K571-H573 PolarHBondContact O-ND1 2.95Š| ||
| 574 | W | 86 | Confident | 87 | Confident | 93 Ų | 93 | 84.6 Ų | 84.6 | 35% | 0.352 | 43% | 0.433 | S | S | . | . | trans | -80.4 | 132.2 | -176.9 | -63.3 | 95.2 | 0 | 0 | 0 | 111.4 | I556 V559 E560 | I556-W574 HydrophobicContact CB-CZ2 4.07Å; I556-W574 HydrophobicContact CG1-CD2 4.31Å; I556-W574 HydrophobicContact CG1-CH2 4.06Å; I556-W574 HydrophobicContact CG1-CZ2 3.86Å; I556-W574 HydrophobicContact CG1-CZ3 4.39Å; I556-W574 HydrophobicContact CG2-CZ2 3.76Å; V559-W574 HydrophobicContact CB-CH2 3.98Å; V559-W574 HydrophobicContact CB-CZ2 4.19Å; V559-W574 HydrophobicContact CG1-CH2 3.77Å; V559-W574 HydrophobicContact CG1-CZ2 4.11Å; V559-W574 HydrophobicContact CG2-CH2 4.41Å; E560-W574 HydrophobicContact CG-CZ2 4.25Å; E560-W574 PolarHBondContact OE1-NE1 2.73Å | ||
| 575 | H | 85.8 | Confident | 87.1 | Confident | 74 Ų | 74 | 78.7 Ų | 78.7 | 34% | 0.343 | 41% | 0.408 | S | S | . | . | trans | -119.7 | 74.1 | -177.6 | -169.1 | -69.1 | 0 | 0 | 0 | 111.1 | S540 L577 M578 S579 | S540-H575 PolarHBondContact OG-CD2 2.94Å; S540-H575 VanDerWaalsContact OG-CD2 3.25Å; S540-H575 PolarHBondContact OG-NE2 2.98Å; H575-L577 VanDerWaalsContact C-N 3.26Å; H575-L577 PolarHBondContact O-N 3.44Å; H575-M578 VanDerWaalsContact CE1-CG 3.41Å; H575-M578 WeakPolarHBondContact CE1-CG 3.12Å; H575-M578 WeakPolarHBondContact ND1-CG 3.34Å; H575-M578 PolarHBondContact ND1-N 2.79Å; H575-M578 PolarHBondContact O-N 3.34Å; H575-S579 PolarHBondContact O-OG 3.38Å | ||
| 576 | H | 85.4 | Confident | 87.1 | Confident | 34 Ų | 34 | 76.4 Ų | 76.4 | 16% | 0.157 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -62.4 | -25.4 | -172.4 | -56.9 | -57.7 | 0 | 0 | 0 | 114.9 | V546 M578 S579 T598 F599 | V546-H576 HydrophobicContact CG1-CB 3.77Å; H576-M578 PolarHBondContact O-N 3.31Å; H576-S579 WeakPolarHBondContact O-CB 3.42Å; H576-S579 PolarHBondContact O-N 3.1Å; H576-S579 VanDerWaalsContact O-N 3.1Å; H576-T598 HydrophobicContact CB-CG2 4.11Å; H576-F599 HydrophobicContact CB-CE1 4.08Å |
| 577 | L | 82 | Confident | 87.3 | Confident | 36 Ų | 36 | 73.6 Ų | 73.6 | 19% | 0.188 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -59.1 | -33.7 | 178 | 172.8 | 67.8 | 0 | 0 | 0 | 112.9 | H575 F599 Q694 | H575-L577 VanDerWaalsContact C-N 3.26Å; H575-L577 PolarHBondContact O-N 3.44Å; L577-F599 HydrophobicContact CB-CE2 4.24Å; L577-F599 HydrophobicContact CB-CZ 3.88Å; L577-F599 HydrophobicContact CD1-CD2 4.34Å; L577-F599 HydrophobicContact CD1-CE2 3.54Å; L577-F599 HydrophobicContact CD1-CZ 4.07Å; L577-Q694 PolarHBondContact O-NE2 2.96Å |
| 578 | M | 81.8 | Confident | 87.4 | Confident | 24 Ų | 24 | 77.1 Ų | 77.1 | 12% | 0.118 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -97.5 | 3.1 | -179.5 | -66 | -71 | 179.9 | 0 | 0 | 112.6 | R461 I464 H575 H576 M700 | R461-M578 HydrophobicContact CG-CE 4.19Å; R461-M578 HydrophobicContact CG-SD 4.47Å; I464-M578 HydrophobicContact CD1-CB 4.45Å; I464-M578 HydrophobicContact CD1-CG 4.49Å; I464-M578 HydrophobicContact CG2-CB 3.94Å; H575-M578 VanDerWaalsContact CE1-CG 3.41Å; H575-M578 WeakPolarHBondContact CE1-CG 3.12Å; H575-M578 WeakPolarHBondContact ND1-CG 3.34Å; H575-M578 PolarHBondContact ND1-N 2.79Å; H575-M578 PolarHBondContact O-N 3.34Å; H576-M578 PolarHBondContact O-N 3.31Å; M578-M700 HydrophobicContact CE-CE 4.18Å |
| 579 | S | 87.5 | Confident | 87.4 | Confident | 45 Ų | 45 | 74 Ų | 74 | 32% | 0.315 | 38% | 0.38 | S | S | . | . | trans | -88.4 | 146.8 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 110.6 | H575 H576 T598 Q694 | H575-S579 PolarHBondContact O-OG 3.38Å; H576-S579 WeakPolarHBondContact O-CB 3.42Å; H576-S579 PolarHBondContact O-N 3.1Å; H576-S579 VanDerWaalsContact O-N 3.1Å; S579-T598 VanDerWaalsContact C-OG1 3.31Å; S579-T598 WeakPolarHBondContact CB-OG1 3.28Å; S579-T598 PolarHBondContact O-N 3.34Å; S579-T598 VanDerWaalsContact O-N 3.11Å; S579-T598 PolarHBondContact O-OG1 3.44Å; S579-Q694 PolarHBondContact O-NE2 3.25Å | ||
| 580 | N | 89.3 | Confident | 87.5 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 167.1 | 177.1 | 61.8 | 16.4 | 0 | 0 | 0 | 110 | V596 I690 | N580-V596 CarbonylContact C-O 3.58Å; N580-V596 WeakPolarHBondContact CA-O 3.37Å; N580-V596 WeakPolarHBondContact CB-O 3.29Å; N580-I690 HydrophobicContact CB-CD1 3.66Å |
| 581 | G | 89.4 | Confident | 87.7 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 164.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E595 V596 | G581-E595 WeakPolarHBondContact O-CA 3.48Å; G581-V596 PolarHBondContact N-O 2.97Å; G581-V596 PolarHBondContact O-N 3.46Å |
| 582 | I | 90.8 | Very high | 88 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.3 | 173.7 | -58.7 | 172.3 | 0 | 0 | 0 | 107.4 | D593 L594 E595 | I582-D593 HydrophobicContact CG2-CB 4.03Å; I582-L594 CarbonylContact C-O 3.47Å; I582-L594 WeakPolarHBondContact CA-O 3.42Å; I582-E595 HydrophobicContact CG1-CB 4.23Å; I582-E595 HydrophobicContact CG1-CG 4.32Å |
| 583 | I | 91 | Very high | 88.3 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 21% | 0.205 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 147.4 | 175.4 | 64.7 | 173.6 | 0 | 0 | 0 | 110.3 | D593 L594 V596 L601 L604 | I583-D593 CarbonylContact O-C 3.31Å; I583-D593 WeakPolarHBondContact O-CA 3.36Å; I583-L594 HydrophobicContact CG1-CB 3.96Å; I583-L594 PolarHBondContact N-O 3.44Å; I583-L594 PolarHBondContact O-N 2.88Å; I583-V596 HydrophobicContact CD1-CG2 4.09Å; I583-V596 HydrophobicContact CG1-CG2 4.04Å; I583-V596 HydrophobicContact CG2-CG2 4.31Å; I583-L601 HydrophobicContact CG2-CD1 3.58Å; I583-L601 HydrophobicContact CG2-CG 4.13Å; I583-L604 HydrophobicContact CD1-CB 4.28Å; I583-L604 HydrophobicContact CD1-CD1 3.57Å |
| 584 | T | 91.3 | Very high | 88.6 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 108.1 | 172.3 | -66.5 | 0 | 0 | 0 | 0 | 109.5 | K586 Q591 D593 | T584-K586 HydrophobicContact CG2-CG 4.22Å; T584-Q591 VanDerWaalsContact CG2-CD 3.49Å; T584-Q591 HydrophobicContact CG2-CG 3.36Å; T584-D593 PolarHBondContact OG1-OD1 2.89Å |
| 585 | F | 90.8 | Very high | 88.8 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 115.2 | 175.8 | -179 | -98.7 | 0 | 0 | 0 | 110.6 | N587 Q591 Y592 L594 V648 V669 F673 | F585-N587 HydrophobicContact CE1-CB 3.99Å; F585-N587 HydrophobicContact CZ-CB 4.49Å; F585-Q591 WeakPolarHBondContact O-CA 3.17Å; F585-Y592 HydrophobicContact CD1-CD2 4.28Å; F585-Y592 PolarHBondContact N-O 2.92Å; F585-Y592 PolarHBondContact O-N 3.41Å; F585-L594 HydrophobicContact CB-CD1 3.49Å; F585-L594 VanDerWaalsContact CB-CD1 3.49Å; F585-L594 HydrophobicContact CB-CG 3.7Å; F585-L594 HydrophobicContact CD1-CD1 4.41Å; F585-L594 HydrophobicContact CD2-CD1 4.07Å; F585-L594 HydrophobicContact CG-CD1 3.75Å; F585-L594 HydrophobicContact CG-CG 4.41Å; F585-V648 HydrophobicContact CD2-CG1 4.39Å; F585-V648 HydrophobicContact CE2-CG1 3.97Å; F585-V648 HydrophobicContact CZ-CG1 4.11Å; F585-V669 HydrophobicContact CE2-CG1 3.57Å; F585-V669 HydrophobicContact CZ-CG1 3.42Å; F585-V669 VanDerWaalsContact CZ-CG1 3.42Å; F585-F673 AromaticContact CD1-CD1 3.93Å; F585-F673 HydrophobicContact CD1-CD1 3.93Å; F585-F673 HydrophobicContact CD1-CE1 4.28Å; F585-F673 HydrophobicContact CE1-CB 4.16Å; F585-F673 AromaticContact CE1-CD1 3.66Å; F585-F673 HydrophobicContact CE1-CD1 3.66Å; F585-F673 HydrophobicContact CE1-CE1 4.4Å; F585-F673 HydrophobicContact CE1-CG 4.17Å |
| 586 | K | 89.4 | Confident | 89.1 | Confident | 150 Ų | 150 | 47.9 Ų | 47.9 | 65% | 0.652 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.5 | 177.5 | -68.1 | 179.8 | -178.3 | 174.1 | 0 | 110.1 | T584 Q591 | T584-K586 HydrophobicContact CG2-CG 4.22Å; K586-Q591 HydrophobicContact CG-CB 4.39Å; K586-Q591 HydrophobicContact CG-CG 4.01Å |
| 587 | N | 88.2 | Confident | 89.3 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | trans | -138.5 | -174.8 | 172.1 | 72.6 | -3.1 | 0 | 0 | 0 | 111.1 | F585 V589 G590 Q671 F673 | F585-N587 HydrophobicContact CE1-CB 3.99Å; F585-N587 HydrophobicContact CZ-CB 4.49Å; N587-V589 PolarHBondContact O-N 3.34Å; N587-V589 PolarHBondContact OD1-N 2.79Å; N587-G590 PolarHBondContact N-O 3.12Å; N587-G590 PolarHBondContact O-N 2.88Å; N587-G590 PolarHBondContact OD1-N 2.75Å; N587-G590 PolarHBondContact OD1-O 2.78Å; N587-Q671 PolarHBondContact ND2-O 3.23Å; N587-F673 WeakPolarHBondContact ND2-CB 3.28Å; N587-F673 PolarHBondContact ND2-N 3.48Å; N587-F673 PolarHBondContact ND2-O 3.43Å | ||
| 588 | E | 88 | Confident | 89.7 | Confident | 126 Ų | 126 | 45.3 Ų | 45.3 | 59% | 0.589 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -65.1 | -23.5 | -179 | -64.5 | -176.2 | 173.6 | 0 | 0 | 113.5 | R612 Q671 | E588-R612 IonicContact OE1-CZ 2.89Å; E588-R612 IonicContact OE1-NE 2.65Å; E588-R612 IonicContact OE1-NH2 3.14Å; E588-R612 PolarHBondContact OE1-NH2 2.63Å; E588-Q671 HydrophobicContact CG-CB 4.14Å |
| 589 | V | 87.9 | Confident | 90.1 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 28% | 0.279 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -86.9 | -37 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 112.4 | N587 V681 | N587-V589 PolarHBondContact O-N 3.34Å; N587-V589 PolarHBondContact OD1-N 2.79Å; V589-V681 HydrophobicContact CG1-CG1 3.9Å |
| 590 | G | 87.8 | Confident | 90.3 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | trans | 174.8 | -162 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N587 K683 | N587-G590 PolarHBondContact N-O 3.12Å; N587-G590 PolarHBondContact O-N 2.88Å; N587-G590 PolarHBondContact OD1-N 2.75Å; N587-G590 PolarHBondContact OD1-O 2.78Å; G590-K683 VanDerWaalsContact CA-O 3.29Å; G590-K683 WeakPolarHBondContact CA-O 3.45Å | ||
| 591 | Q | 91.5 | Very high | 90.3 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 121.7 | -175.7 | -179.8 | -180 | -23.7 | 0 | 0 | 109.8 | T584 F585 K586 K683 R684 | T584-Q591 VanDerWaalsContact CG2-CD 3.49Å; T584-Q591 HydrophobicContact CG2-CG 3.36Å; F585-Q591 WeakPolarHBondContact O-CA 3.17Å; K586-Q591 HydrophobicContact CG-CB 4.39Å; K586-Q591 HydrophobicContact CG-CG 4.01Å; Q591-K683 PolarHBondContact N-O 2.73Å; Q591-R684 VanDerWaalsContact O-CA 3.25Å; Q591-R684 WeakPolarHBondContact O-CA 2.96Å |
| 592 | Y | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139 | -174.7 | -51.7 | -87.3 | 0 | 0 | 0 | 110.7 | F585 F673 S674 L675 Q682 G685 | F585-Y592 HydrophobicContact CD1-CD2 4.28Å; F585-Y592 PolarHBondContact N-O 2.92Å; F585-Y592 PolarHBondContact O-N 3.41Å; Y592-F673 HydrophobicContact CD1-CE1 4.42Å; Y592-F673 AromaticContact CD2-CD1 3.8Å; Y592-F673 HydrophobicContact CD2-CD1 3.8Å; Y592-F673 AromaticContact CD2-CE1 3.81Å; Y592-F673 HydrophobicContact CD2-CE1 3.81Å; Y592-F673 AromaticContact CE2-CD1 3.94Å; Y592-F673 HydrophobicContact CE2-CD1 3.94Å; Y592-F673 HydrophobicContact CE2-CE1 4.27Å; Y592-F673 HydrophobicContact CG-CD1 4.35Å; Y592-F673 AromaticContact CG-CE1 3.89Å; Y592-F673 HydrophobicContact CG-CE1 3.89Å; Y592-F673 PolarHBondContact OH-O 2.97Å; Y592-S674 VanDerWaalsContact OH-CA 3.28Å; Y592-S674 WeakPolarHBondContact OH-CA 3.27Å; Y592-S674 WeakPolarHBondContact OH-CB 3.35Å; Y592-L675 HydrophobicContact CD1-CB 4.3Å; Y592-L675 HydrophobicContact CE1-CB 4Å; Y592-Q682 VanDerWaalsContact CE1-O 3.27Å; Y592-Q682 WeakPolarHBondContact CE1-O 3.32Å; Y592-Q682 PolarHBondContact OH-O 2.92Å; Y592-G685 CarbonylContact C-O 3.5Å; Y592-G685 VanDerWaalsContact CA-O 3.32Å; Y592-G685 WeakPolarHBondContact CA-O 3.47Å |
| 593 | D | 92.5 | Very high | 90.5 | Very high | 60 Ų | 60 | 34.4 Ų | 34.4 | 32% | 0.321 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 113.1 | 174.3 | -62.4 | -30.3 | 0 | 0 | 0 | 108.7 | I582 I583 T584 G685 K686 I687 | I582-D593 HydrophobicContact CG2-CB 4.03Å; I583-D593 CarbonylContact O-C 3.31Å; I583-D593 WeakPolarHBondContact O-CA 3.36Å; T584-D593 PolarHBondContact OG1-OD1 2.89Å; D593-G685 PolarHBondContact N-O 3.37Å; D593-K686 HydrophobicContact CB-CB 4.38Å; D593-K686 HydrophobicContact CB-CG 4.27Å; D593-K686 CarbonylContact O-C 3.54Å; D593-K686 VanDerWaalsContact O-CA 3.28Å; D593-K686 WeakPolarHBondContact O-CA 3.39Å; D593-I687 PolarHBondContact O-N 2.88Å |
| 594 | L | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118 | 179.7 | -54.4 | -175.6 | 0 | 0 | 0 | 109.1 | I582 I583 F585 V596 L604 V648 F673 I687 L689 | I582-L594 CarbonylContact C-O 3.47Å; I582-L594 WeakPolarHBondContact CA-O 3.42Å; I583-L594 HydrophobicContact CG1-CB 3.96Å; I583-L594 PolarHBondContact N-O 3.44Å; I583-L594 PolarHBondContact O-N 2.88Å; F585-L594 HydrophobicContact CB-CD1 3.49Å; F585-L594 VanDerWaalsContact CB-CD1 3.49Å; F585-L594 HydrophobicContact CB-CG 3.7Å; F585-L594 HydrophobicContact CD1-CD1 4.41Å; F585-L594 HydrophobicContact CD2-CD1 4.07Å; F585-L594 HydrophobicContact CG-CD1 3.75Å; F585-L594 HydrophobicContact CG-CG 4.41Å; L594-V596 HydrophobicContact CB-CG1 3.95Å; L594-L604 HydrophobicContact CD1-CD1 4.48Å; L594-V648 HydrophobicContact CD1-CG1 4.08Å; L594-V648 HydrophobicContact CD1-CG2 4.25Å; L594-F673 HydrophobicContact CD2-CE1 4.42Å; L594-F673 HydrophobicContact CD2-CZ 4.45Å; L594-I687 HydrophobicContact CD2-CB 4Å; L594-I687 HydrophobicContact CD2-CD1 4.13Å; L594-I687 HydrophobicContact CD2-CG1 4.48Å; L594-L689 HydrophobicContact CB-CD1 4.16Å; L594-L689 HydrophobicContact CD1-CD1 3.94Å; L594-L689 HydrophobicContact CD2-CD1 4.04Å; L594-L689 HydrophobicContact CG-CD1 4.27Å |
| 595 | E | 91.1 | Very high | 90.5 | Very high | 47 Ų | 47 | 32.9 Ų | 32.9 | 22% | 0.22 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.6 | 167.9 | -179.3 | -173.7 | 179.4 | 0 | 0 | 108.1 | G581 I582 I687 N688 L689 I690 | G581-E595 WeakPolarHBondContact O-CA 3.48Å; I582-E595 HydrophobicContact CG1-CB 4.23Å; I582-E595 HydrophobicContact CG1-CG 4.32Å; E595-I687 PolarHBondContact N-O 3.18Å; E595-N688 HydrophobicContact CB-CB 4.37Å; E595-N688 PolarHBondContact OE1-ND2 3.21Å; E595-N688 WeakPolarHBondContact OE2-CB 3.3Å; E595-N688 PolarHBondContact OE2-ND2 3Å; E595-L689 PolarHBondContact O-N 2.92Å; E595-I690 HydrophobicContact CG-CD1 3.73Å; E595-I690 HydrophobicContact CG-CG1 4.33Å |
| 596 | V | 90.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 155.6 | -167.6 | -70.7 | 0 | 0 | 0 | 0 | 110.7 | N580 G581 I583 L594 Q600 L601 L604 L689 | N580-V596 CarbonylContact C-O 3.58Å; N580-V596 WeakPolarHBondContact CA-O 3.37Å; N580-V596 WeakPolarHBondContact CB-O 3.29Å; G581-V596 PolarHBondContact N-O 2.97Å; G581-V596 PolarHBondContact O-N 3.46Å; I583-V596 HydrophobicContact CD1-CG2 4.09Å; I583-V596 HydrophobicContact CG1-CG2 4.04Å; I583-V596 HydrophobicContact CG2-CG2 4.31Å; L594-V596 HydrophobicContact CB-CG1 3.95Å; V596-Q600 HydrophobicContact CB-CB 3.83Å; V596-Q600 HydrophobicContact CG1-CB 4.23Å; V596-L601 HydrophobicContact CG2-CB 4.02Å; V596-L604 HydrophobicContact CG1-CD1 4.3Å; V596-L689 HydrophobicContact CG1-CB 4.1Å; V596-L689 HydrophobicContact CG1-CD1 3.99Å |
| 597 | T | 90.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 159.7 | 168.4 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | F599 Q600 L601 I690 L693 Q694 | T597-F599 PolarHBondContact O-N 2.96Å; T597-Q600 PolarHBondContact O-N 3.34Å; T597-Q600 VanDerWaalsContact O-N 3.14Å; T597-Q600 WeakPolarHBondContact OG1-CB 3.17Å; T597-Q600 VanDerWaalsContact OG1-CG 3.3Å; T597-Q600 WeakPolarHBondContact OG1-CG 3.48Å; T597-Q600 PolarHBondContact OG1-N 2.99Å; T597-Q600 PolarHBondContact OG1-OE1 3.36Å; T597-Q600 VanDerWaalsContact OG1-OE1 3.11Å; T597-L601 WeakPolarHBondContact O-CB 3.22Å; T597-L601 PolarHBondContact O-N 3.38Å; T597-I690 HydrophobicContact CG2-CB 4.31Å; T597-I690 HydrophobicContact CG2-CG1 4.16Å; T597-I690 HydrophobicContact CG2-CG2 3.92Å; T597-L693 HydrophobicContact CG2-CB 4.25Å; T597-L693 HydrophobicContact CG2-CD1 4.37Å; T597-Q694 HydrophobicContact CG2-CG 3.75Å |
| 598 | T | 89.8 | Confident | 90.5 | Very high | 9 Ų | 9 | 29.3 Ų | 29.3 | 6% | 0.055 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -31.9 | 176.2 | -60 | 0 | 0 | 0 | 0 | 112.8 | L548 H576 S579 L601 A602 | L548-T598 HydrophobicContact CD2-CG2 3.41Å; L548-T598 VanDerWaalsContact CD2-CG2 3.41Å; H576-T598 HydrophobicContact CB-CG2 4.11Å; S579-T598 VanDerWaalsContact C-OG1 3.31Å; S579-T598 WeakPolarHBondContact CB-OG1 3.28Å; S579-T598 PolarHBondContact O-N 3.34Å; S579-T598 VanDerWaalsContact O-N 3.11Å; S579-T598 PolarHBondContact O-OG1 3.44Å; T598-L601 WeakPolarHBondContact O-CB 3.33Å; T598-L601 PolarHBondContact O-N 3.3Å; T598-A602 PolarHBondContact O-N 3.29Å |
| 599 | F | 90.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.8 | -42.8 | 175.3 | -61.6 | -12.5 | 0 | 0 | 0 | 112.2 | V544 V546 H576 L577 T597 L601 A602 V603 L626 T634 | V544-F599 HydrophobicContact CB-CZ 3.81Å; V544-F599 HydrophobicContact CG1-CE1 4.08Å; V544-F599 HydrophobicContact CG1-CE2 4.02Å; V544-F599 HydrophobicContact CG1-CZ 3.46Å; V544-F599 VanDerWaalsContact CG1-CZ 3.46Å; V544-F599 HydrophobicContact CG2-CZ 4.41Å; V546-F599 HydrophobicContact CB-CD1 4.26Å; V546-F599 HydrophobicContact CB-CE1 4.19Å; V546-F599 HydrophobicContact CG1-CD1 4.3Å; V546-F599 HydrophobicContact CG1-CE1 4.04Å; V546-F599 HydrophobicContact CG2-CD1 4.15Å; H576-F599 HydrophobicContact CB-CE1 4.08Å; L577-F599 HydrophobicContact CB-CE2 4.24Å; L577-F599 HydrophobicContact CB-CZ 3.88Å; L577-F599 HydrophobicContact CD1-CD2 4.34Å; L577-F599 HydrophobicContact CD1-CE2 3.54Å; L577-F599 HydrophobicContact CD1-CZ 4.07Å; T597-F599 PolarHBondContact O-N 2.96Å; F599-L601 VanDerWaalsContact C-N 3.26Å; F599-L601 PolarHBondContact O-N 3.46Å; F599-A602 PolarHBondContact O-N 2.99Å; F599-V603 WeakPolarHBondContact O-CG2 3.45Å; F599-V603 PolarHBondContact O-N 3.18Å; F599-L626 HydrophobicContact CB-CD1 4.05Å; F599-L626 HydrophobicContact CB-CD2 4.42Å; F599-L626 HydrophobicContact CD1-CD2 3.72Å; F599-L626 HydrophobicContact CD2-CD2 4.2Å; F599-L626 HydrophobicContact CE1-CD2 3.95Å; F599-L626 HydrophobicContact CE2-CD2 4.39Å; F599-L626 HydrophobicContact CG-CD1 4.39Å; F599-L626 HydrophobicContact CG-CD2 3.87Å; F599-L626 HydrophobicContact CZ-CD2 4.29Å; F599-T634 HydrophobicContact CB-CG2 4.06Å |
| 600 | Q | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -38.4 | 172.8 | -75.4 | 171.1 | -47.7 | 0 | 0 | 111.2 | V596 T597 V603 L604 T634 S637 L638 L689 L693 | V596-Q600 HydrophobicContact CB-CB 3.83Å; V596-Q600 HydrophobicContact CG1-CB 4.23Å; T597-Q600 PolarHBondContact O-N 3.34Å; T597-Q600 VanDerWaalsContact O-N 3.14Å; T597-Q600 WeakPolarHBondContact OG1-CB 3.17Å; T597-Q600 VanDerWaalsContact OG1-CG 3.3Å; T597-Q600 WeakPolarHBondContact OG1-CG 3.48Å; T597-Q600 PolarHBondContact OG1-N 2.99Å; T597-Q600 PolarHBondContact OG1-OE1 3.36Å; T597-Q600 VanDerWaalsContact OG1-OE1 3.11Å; Q600-V603 PolarHBondContact O-N 3.07Å; Q600-L604 WeakPolarHBondContact O-CB 3.39Å; Q600-L604 VanDerWaalsContact O-CG 3.28Å; Q600-L604 WeakPolarHBondContact O-CG 3.5Å; Q600-L604 PolarHBondContact O-N 2.96Å; Q600-T634 HydrophobicContact CB-CG2 4.25Å; Q600-T634 HydrophobicContact CG-CG2 3.71Å; Q600-S637 PolarHBondContact NE2-OG 2.84Å; Q600-L638 HydrophobicContact CB-CD2 4.37Å; Q600-L638 HydrophobicContact CG-CD1 4.42Å; Q600-L638 HydrophobicContact CG-CD2 4.14Å; Q600-L638 HydrophobicContact CG-CG 4.25Å; Q600-L689 PolarHBondContact NE2-O 2.98Å; Q600-L693 HydrophobicContact CG-CD1 4.14Å |
| 601 | L | 91.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 177.3 | 179.5 | 149.4 | 0 | 0 | 0 | 111.6 | P549 L552 I583 V596 T597 T598 F599 V603 L604 F605 | P549-L601 VanDerWaalsContact CD-CD2 3.44Å; P549-L601 HydrophobicContact CG-CD2 3.36Å; P549-L601 HydrophobicContact CG-CG 4.49Å; L552-L601 HydrophobicContact CD1-CD1 4.48Å; L552-L601 HydrophobicContact CD1-CD2 3.78Å; I583-L601 HydrophobicContact CG2-CD1 3.58Å; I583-L601 HydrophobicContact CG2-CG 4.13Å; V596-L601 HydrophobicContact CG2-CB 4.02Å; T597-L601 WeakPolarHBondContact O-CB 3.22Å; T597-L601 PolarHBondContact O-N 3.38Å; T598-L601 WeakPolarHBondContact O-CB 3.33Å; T598-L601 PolarHBondContact O-N 3.3Å; F599-L601 VanDerWaalsContact C-N 3.26Å; F599-L601 PolarHBondContact O-N 3.46Å; L601-V603 VanDerWaalsContact C-N 3.34Å; L601-V603 PolarHBondContact O-N 3.41Å; L601-L604 PolarHBondContact O-N 3.06Å; L601-F605 WeakPolarHBondContact O-CB 3.43Å; L601-F605 PolarHBondContact O-N 2.92Å |
| 602 | A | 90.9 | Very high | 90 | Very high | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V546 S547 T598 F599 F605 T624 | V546-A602 HydrophobicContact CG2-CB 3.63Å; S547-A602 WeakPolarHBondContact O-CB 3.44Å; T598-A602 PolarHBondContact O-N 3.29Å; F599-A602 PolarHBondContact O-N 2.99Å; A602-F605 PolarHBondContact O-N 3.11Å; A602-T624 HydrophobicContact CB-CG2 4.33Å |
| 603 | V | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -49.6 | 176.3 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | F599 Q600 L601 F605 A606 W607 T624 L626 L631 T634 L635 L638 L649 | F599-V603 WeakPolarHBondContact O-CG2 3.45Å; F599-V603 PolarHBondContact O-N 3.18Å; Q600-V603 PolarHBondContact O-N 3.07Å; L601-V603 VanDerWaalsContact C-N 3.34Å; L601-V603 PolarHBondContact O-N 3.41Å; V603-F605 VanDerWaalsContact C-N 3.26Å; V603-F605 PolarHBondContact O-N 2.89Å; V603-A606 VanDerWaalsContact O-CB 3.24Å; V603-A606 WeakPolarHBondContact O-CB 3.34Å; V603-A606 PolarHBondContact O-N 3.34Å; V603-W607 HydrophobicContact CG1-CH2 4.34Å; V603-W607 HydrophobicContact CG1-CZ3 3.81Å; V603-W607 VanDerWaalsContact O-CE3 3.25Å; V603-W607 WeakPolarHBondContact O-CZ3 3.37Å; V603-T624 HydrophobicContact CG2-CG2 4Å; V603-L626 HydrophobicContact CG2-CD1 4.19Å; V603-L631 HydrophobicContact CG2-CD1 3.73Å; V603-T634 HydrophobicContact CB-CG2 4.5Å; V603-T634 HydrophobicContact CG2-CG2 3.91Å; V603-L635 HydrophobicContact CG1-CD2 3.67Å; V603-L638 HydrophobicContact CB-CD1 4.41Å; V603-L638 HydrophobicContact CG1-CD1 3.85Å; V603-L649 HydrophobicContact CG1-CD1 4.43Å |
| 604 | L | 91.7 | Very high | 90 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -30.1 | -178 | -70.8 | 172.6 | 0 | 0 | 0 | 112.6 | I583 L594 V596 Q600 L601 A606 W607 L638 V648 L649 | I583-L604 HydrophobicContact CD1-CB 4.28Å; I583-L604 HydrophobicContact CD1-CD1 3.57Å; L594-L604 HydrophobicContact CD1-CD1 4.48Å; V596-L604 HydrophobicContact CG1-CD1 4.3Å; Q600-L604 WeakPolarHBondContact O-CB 3.39Å; Q600-L604 VanDerWaalsContact O-CG 3.28Å; Q600-L604 WeakPolarHBondContact O-CG 3.5Å; Q600-L604 PolarHBondContact O-N 2.96Å; L601-L604 PolarHBondContact O-N 3.06Å; L604-A606 PolarHBondContact O-N 2.72Å; L604-W607 PolarHBondContact O-N 3.13Å; L604-L638 HydrophobicContact CD1-CD2 4.16Å; L604-L638 HydrophobicContact CD2-CD1 4.16Å; L604-L638 HydrophobicContact CG-CD1 4.15Å; L604-L638 HydrophobicContact CG-CD2 4.48Å; L604-V648 HydrophobicContact CD2-CG1 4.07Å; L604-L649 HydrophobicContact CD2-CD1 4.38Å; L604-L649 HydrophobicContact CD2-CD2 4.01Å; L604-L649 HydrophobicContact CD2-CG 4.24Å |
| 605 | F | 89.8 | Confident | 90.1 | Very high | 64 Ų | 64 | 50.7 Ų | 50.7 | 28% | 0.281 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.4 | -22.9 | 177.8 | -160 | -103.3 | 0 | 0 | 0 | 113.1 | P549 E551 L601 A602 V603 W607 N608 | P549-F605 HydrophobicContact CB-CD1 3.92Å; P549-F605 HydrophobicContact CB-CD2 3.73Å; P549-F605 HydrophobicContact CB-CE1 3.92Å; P549-F605 HydrophobicContact CB-CE2 3.71Å; P549-F605 HydrophobicContact CB-CG 3.82Å; P549-F605 HydrophobicContact CB-CZ 3.81Å; P549-F605 HydrophobicContact CG-CB 3.81Å; P549-F605 HydrophobicContact CG-CD1 4.02Å; P549-F605 HydrophobicContact CG-CD2 3.77Å; P549-F605 HydrophobicContact CG-CE2 4.28Å; P549-F605 HydrophobicContact CG-CG 3.6Å; E551-F605 WeakPolarHBondContact OE2-CE2 3.41Å; E551-F605 WeakPolarHBondContact OE2-CZ 3.29Å; L601-F605 WeakPolarHBondContact O-CB 3.43Å; L601-F605 PolarHBondContact O-N 2.92Å; A602-F605 PolarHBondContact O-N 3.11Å; V603-F605 VanDerWaalsContact C-N 3.26Å; V603-F605 PolarHBondContact O-N 2.89Å; F605-W607 PolarHBondContact O-N 2.83Å; F605-N608 HydrophobicContact CD2-CB 4.06Å; F605-N608 HydrophobicContact CE2-CB 4.18Å; F605-N608 WeakPolarHBondContact CE2-ND2 3.24Å; F605-N608 HydrophobicContact CG-CB 4.38Å; F605-N608 WeakPolarHBondContact O-CB 3.5Å; F605-N608 PolarHBondContact O-N 2.94Å |
| 606 | A | 90.3 | Very high | 90.2 | Very high | 17 Ų | 17 | 49.2 Ų | 49.2 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V603 L604 R610 I615 L620 | V603-A606 VanDerWaalsContact O-CB 3.24Å; V603-A606 WeakPolarHBondContact O-CB 3.34Å; V603-A606 PolarHBondContact O-N 3.34Å; L604-A606 PolarHBondContact O-N 2.72Å; A606-R610 WeakPolarHBondContact O-CG 3.29Å; A606-R610 PolarHBondContact O-NE 2.83Å; A606-I615 HydrophobicContact CB-CD1 4.04Å; A606-L620 HydrophobicContact CB-CD2 3.75Å |
| 607 | W | 91.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 2% | 0.023 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 1.3 | 177.6 | -68.4 | -84.5 | 0 | 0 | 0 | 115 | V603 L604 F605 Q609 R610 E613 I615 L620 L649 F667 V669 | V603-W607 HydrophobicContact CG1-CH2 4.34Å; V603-W607 HydrophobicContact CG1-CZ3 3.81Å; V603-W607 VanDerWaalsContact O-CE3 3.25Å; V603-W607 WeakPolarHBondContact O-CZ3 3.37Å; L604-W607 PolarHBondContact O-N 3.13Å; F605-W607 PolarHBondContact O-N 2.83Å; W607-Q609 VanDerWaalsContact C-N 3.33Å; W607-Q609 PolarHBondContact O-N 3.14Å; W607-R610 CarbonylContact O-C 3.22Å; W607-R610 PolarHBondContact O-N 3.21Å; W607-E613 PolarHBondContact NE1-O 3.44Å; W607-E613 VanDerWaalsContact NE1-O 3.12Å; W607-I615 HydrophobicContact CD2-CD1 3.99Å; W607-I615 HydrophobicContact CG-CD1 4.12Å; W607-I615 HydrophobicContact CZ2-CB 4.09Å; W607-I615 HydrophobicContact CZ2-CD1 4.03Å; W607-I615 HydrophobicContact CZ2-CG1 4.2Å; W607-L620 HydrophobicContact CH2-CD1 3.7Å; W607-L620 HydrophobicContact CH2-CD2 3.62Å; W607-L620 HydrophobicContact CH2-CG 4.3Å; W607-L620 HydrophobicContact CZ2-CD1 4.14Å; W607-L620 HydrophobicContact CZ2-CD2 4.07Å; W607-L620 HydrophobicContact CZ3-CD2 4.02Å; W607-L649 HydrophobicContact CE3-CD2 4.38Å; W607-L649 HydrophobicContact CH2-CD1 3.91Å; W607-L649 HydrophobicContact CH2-CD2 4.29Å; W607-L649 HydrophobicContact CZ3-CD1 3.94Å; W607-L649 HydrophobicContact CZ3-CD2 4.14Å; W607-F667 HydrophobicContact CH2-CB 4.02Å; W607-F667 HydrophobicContact CZ2-CB 3.82Å; W607-F667 WeakPolarHBondContact CZ2-O 3.3Å; W607-V669 HydrophobicContact CB-CG2 3.57Å; W607-V669 HydrophobicContact CD2-CG2 3.91Å; W607-V669 HydrophobicContact CE3-CG2 4.47Å; W607-V669 HydrophobicContact CG-CG2 3.5Å; W607-V669 VanDerWaalsContact CG-CG2 3.5Å |
| 608 | N | 87.9 | Confident | 90.4 | Very high | 95 Ų | 95 | 54 Ų | 54 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -41.9 | -173.2 | -165.8 | 27.2 | 0 | 0 | 0 | 112.7 | F605 | F605-N608 HydrophobicContact CD2-CB 4.06Å; F605-N608 HydrophobicContact CE2-CB 4.18Å; F605-N608 WeakPolarHBondContact CE2-ND2 3.24Å; F605-N608 HydrophobicContact CG-CB 4.38Å; F605-N608 WeakPolarHBondContact O-CB 3.5Å; F605-N608 PolarHBondContact O-N 2.94Å |
| 609 | Q | 85.7 | Confident | 90.6 | Very high | 190 Ų | 190 | 57.5 Ų | 57.5 | 89% | 0.888 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -7.8 | 177 | -63.1 | 178.9 | 1.4 | 0 | 0 | 113.5 | W607 | W607-Q609 VanDerWaalsContact C-N 3.33Å; W607-Q609 PolarHBondContact O-N 3.14Å |
| 610 | R | 88.5 | Confident | 90.6 | Very high | 96 Ų | 96 | 57.3 Ų | 57.3 | 36% | 0.362 | 27% | 0.271 | S | S | . | . | trans | -140.1 | 66.2 | -174.5 | 53.3 | 176.1 | 165.3 | -171.8 | -3.5 | 113.1 | A606 W607 R612 E613 | A606-R610 WeakPolarHBondContact O-CG 3.29Å; A606-R610 PolarHBondContact O-NE 2.83Å; W607-R610 CarbonylContact O-C 3.22Å; W607-R610 PolarHBondContact O-N 3.21Å; R610-R612 PolarHBondContact O-N 3.14Å; R610-R612 VanDerWaalsContact O-N 3.08Å; R610-E613 HydrophobicContact CB-CB 4.11Å; R610-E613 HydrophobicContact CB-CG 3.94Å; R610-E613 WeakPolarHBondContact CD-OE2 3.14Å; R610-E613 HydrophobicContact CG-CB 4.43Å; R610-E613 IonicContact NH1-OE2 3.73Å; R610-E613 PolarHBondContact O-N 3.27Å | ||
| 611 | P | 83.5 | Confident | 90.7 | Very high | 67 Ų | 67 | 60.9 Ų | 60.9 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.4 | -168.8 | -23 | 35.3 | 0 | 0 | 0 | 115.9 | Q671 | P611-Q671 PolarHBondContact O-NE2 3.27Š|
| 612 | R | 87.1 | Confident | 90.7 | Very high | 196 Ų | 196 | 65.7 Ų | 65.7 | 74% | 0.74 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -0.8 | -176.6 | -67.4 | -176.6 | 173.8 | 179 | -2.8 | 113.9 | E588 R610 | E588-R612 IonicContact OE1-CZ 2.89Å; E588-R612 IonicContact OE1-NE 2.65Å; E588-R612 IonicContact OE1-NH2 3.14Å; E588-R612 PolarHBondContact OE1-NH2 2.63Å; R610-R612 PolarHBondContact O-N 3.14Å; R610-R612 VanDerWaalsContact O-N 3.08Å |
| 613 | E | 91.4 | Very high | 90.6 | Very high | 103 Ų | 103 | 67.8 Ų | 67.8 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | trans | -81.7 | 148.4 | -178.7 | -72.7 | -173.1 | -171.6 | 0 | 0 | 112.6 | W607 R610 | W607-E613 PolarHBondContact NE1-O 3.44Å; W607-E613 VanDerWaalsContact NE1-O 3.12Å; R610-E613 HydrophobicContact CB-CB 4.11Å; R610-E613 HydrophobicContact CB-CG 3.94Å; R610-E613 WeakPolarHBondContact CD-OE2 3.14Å; R610-E613 HydrophobicContact CG-CB 4.43Å; R610-E613 IonicContact NH1-OE2 3.73Å; R610-E613 PolarHBondContact O-N 3.27Å | ||
| 614 | K | 92.1 | Very high | 90.5 | Very high | 114 Ų | 114 | 67.9 Ų | 67.9 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | trans | -93.9 | 125.5 | 170.3 | -60.6 | -171.2 | 176.2 | -175.5 | 0 | 108.9 | L666 F667 Y668 | K614-L666 HydrophobicContact CB-CB 4.3Å; K614-L666 HydrophobicContact CB-CD1 4.44Å; K614-L666 HydrophobicContact CD-CD1 4.21Å; K614-F667 CarbonylContact C-O 3.59Å; K614-F667 WeakPolarHBondContact CA-O 3.18Å; K614-Y668 HydrophobicContact CD-CD1 4.12Å; K614-Y668 HydrophobicContact CG-CD1 3.92Å; K614-Y668 HydrophobicContact CG-CG 4.14Å | ||
| 615 | I | 93.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131 | -178.9 | -50.6 | 178 | 0 | 0 | 0 | 108.5 | A606 W607 N619 L620 F667 | A606-I615 HydrophobicContact CB-CD1 4.04Å; W607-I615 HydrophobicContact CD2-CD1 3.99Å; W607-I615 HydrophobicContact CG-CD1 4.12Å; W607-I615 HydrophobicContact CZ2-CB 4.09Å; W607-I615 HydrophobicContact CZ2-CD1 4.03Å; W607-I615 HydrophobicContact CZ2-CG1 4.2Å; I615-N619 HydrophobicContact CG2-CB 3.63Å; I615-L620 HydrophobicContact CB-CD2 4.19Å; I615-L620 HydrophobicContact CB-CG 4.18Å; I615-L620 HydrophobicContact CD1-CD2 4.27Å; I615-L620 HydrophobicContact CG2-CD2 3.82Å; I615-L620 HydrophobicContact CG2-CG 3.69Å; I615-F667 PolarHBondContact N-O 3.43Å; I615-F667 PolarHBondContact O-N 3.42Å |
| 616 | S | 94.2 | Very high | 90.4 | Very high | 16 Ų | 16 | 70 Ų | 70 | 11% | 0.112 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 158.6 | 176.6 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | E618 N619 L620 T665 | S616-E618 VanDerWaalsContact C-N 3.28Å; S616-E618 PolarHBondContact O-N 3.42Å; S616-N619 PolarHBondContact O-N 3.44Å; S616-N619 WeakPolarHBondContact OG-CB 3.37Å; S616-N619 VanDerWaalsContact OG-CG 3.25Å; S616-N619 PolarHBondContact OG-N 3Å; S616-N619 PolarHBondContact OG-ND2 3.05Å; S616-L620 WeakPolarHBondContact O-CG 3.31Å; S616-L620 PolarHBondContact O-N 3.35Å; S616-T665 CarbonylContact C-O 3.42Å; S616-T665 WeakPolarHBondContact CA-O 3.41Å |
| 617 | F | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.9 | -44.1 | 173.5 | -177.4 | -96.7 | 0 | 0 | 0 | 112 | N619 L620 K621 L631 R632 L635 F661 T662 D663 T665 F667 | F617-N619 PolarHBondContact O-N 3.29Å; F617-L620 PolarHBondContact O-N 3.38Å; F617-K621 HydrophobicContact CE1-CD 4.39Å; F617-K621 WeakPolarHBondContact O-CB 3.26Å; F617-K621 PolarHBondContact O-N 3.26Å; F617-L631 HydrophobicContact CD2-CD2 4.26Å; F617-L631 HydrophobicContact CE1-CD2 4.4Å; F617-L631 HydrophobicContact CE2-CB 4.42Å; F617-L631 HydrophobicContact CE2-CD2 3.74Å; F617-L631 HydrophobicContact CE2-CG 3.82Å; F617-L631 HydrophobicContact CZ-CB 4.44Å; F617-L631 HydrophobicContact CZ-CD2 3.82Å; F617-L631 HydrophobicContact CZ-CG 4.17Å; F617-R632 HydrophobicContact CE2-CG 3.65Å; F617-R632 HydrophobicContact CZ-CG 3.63Å; F617-L635 HydrophobicContact CD2-CD1 3.62Å; F617-L635 HydrophobicContact CE2-CD1 3.79Å; F617-F661 HydrophobicContact CD2-CB 4.46Å; F617-T662 VanDerWaalsContact CB-O 3.3Å; F617-T662 WeakPolarHBondContact CB-O 3.34Å; F617-D663 PolarHBondContact N-O 2.81Å; F617-T665 PolarHBondContact N-O 3.04Å; F617-F667 HydrophobicContact CB-CE2 4.06Å; F617-F667 HydrophobicContact CD2-CE2 4.15Å |
| 618 | E | 93.3 | Very high | 90.1 | Very high | 108 Ų | 108 | 73.9 Ų | 73.9 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | 177.1 | -175.6 | 179.2 | -167.3 | 0 | 0 | 112.1 | S616 L620 K621 L622 D663 | S616-E618 VanDerWaalsContact C-N 3.28Å; S616-E618 PolarHBondContact O-N 3.42Å; E618-L620 VanDerWaalsContact C-N 3.33Å; E618-L620 PolarHBondContact O-N 2.88Å; E618-K621 WeakPolarHBondContact O-CB 3.29Å; E618-K621 PolarHBondContact O-N 3.2Å; E618-L622 WeakPolarHBondContact O-CG 3.48Å; E618-L622 PolarHBondContact O-N 3Å; E618-D663 HydrophobicContact CB-CB 4.31Å; E618-D663 PolarHBondContact N-O 3.37Å |
| 619 | N | 92.4 | Very high | 90 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 179.6 | -73.8 | -18.4 | 0 | 0 | 0 | 112 | I615 S616 F617 L622 A623 | I615-N619 HydrophobicContact CG2-CB 3.63Å; S616-N619 PolarHBondContact O-N 3.44Å; S616-N619 WeakPolarHBondContact OG-CB 3.37Å; S616-N619 VanDerWaalsContact OG-CG 3.25Å; S616-N619 PolarHBondContact OG-N 3Å; S616-N619 PolarHBondContact OG-ND2 3.05Å; F617-N619 PolarHBondContact O-N 3.29Å; N619-L622 PolarHBondContact O-N 2.92Å; N619-A623 VanDerWaalsContact O-CB 3.25Å; N619-A623 WeakPolarHBondContact O-CB 3.41Å; N619-A623 PolarHBondContact O-N 3.38Å |
| 620 | L | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.6 | -37 | 173.5 | -70.8 | 169.9 | 0 | 0 | 0 | 111.9 | A606 W607 I615 S616 F617 E618 A623 T624 L635 F667 | A606-L620 HydrophobicContact CB-CD2 3.75Å; W607-L620 HydrophobicContact CH2-CD1 3.7Å; W607-L620 HydrophobicContact CH2-CD2 3.62Å; W607-L620 HydrophobicContact CH2-CG 4.3Å; W607-L620 HydrophobicContact CZ2-CD1 4.14Å; W607-L620 HydrophobicContact CZ2-CD2 4.07Å; W607-L620 HydrophobicContact CZ3-CD2 4.02Å; I615-L620 HydrophobicContact CB-CD2 4.19Å; I615-L620 HydrophobicContact CB-CG 4.18Å; I615-L620 HydrophobicContact CD1-CD2 4.27Å; I615-L620 HydrophobicContact CG2-CD2 3.82Å; I615-L620 HydrophobicContact CG2-CG 3.69Å; S616-L620 WeakPolarHBondContact O-CG 3.31Å; S616-L620 PolarHBondContact O-N 3.35Å; F617-L620 PolarHBondContact O-N 3.38Å; E618-L620 VanDerWaalsContact C-N 3.33Å; E618-L620 PolarHBondContact O-N 2.88Å; L620-A623 PolarHBondContact O-N 3.1Å; L620-T624 WeakPolarHBondContact O-CB 3.43Å; L620-T624 WeakPolarHBondContact O-CG2 3.38Å; L620-T624 PolarHBondContact O-N 3.1Å; L620-T624 PolarHBondContact O-OG1 3.36Å; L620-L635 HydrophobicContact CD1-CD1 4.36Å; L620-L635 HydrophobicContact CD1-CD2 4.02Å; L620-F667 HydrophobicContact CD1-CB 4Å; L620-F667 HydrophobicContact CD1-CD2 3.81Å; L620-F667 HydrophobicContact CD1-CG 4.1Å |
| 621 | K | 91.8 | Very high | 90 | Very high | 76 Ų | 76 | 60 Ų | 60 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.1 | -172 | 177.4 | -180 | 173.9 | 0 | 111.7 | F617 E618 E625 D628 L631 | F617-K621 HydrophobicContact CE1-CD 4.39Å; F617-K621 WeakPolarHBondContact O-CB 3.26Å; F617-K621 PolarHBondContact O-N 3.26Å; E618-K621 WeakPolarHBondContact O-CB 3.29Å; E618-K621 PolarHBondContact O-N 3.2Å; K621-E625 WeakPolarHBondContact O-CA 3.36Å; K621-E625 PolarHBondContact O-N 3.23Å; K621-D628 IonicContact NZ-OD1 2.69Å; K621-D628 PolarHBondContact NZ-OD1 3.18Å; K621-L631 HydrophobicContact CB-CD2 3.61Å; K621-L631 HydrophobicContact CG-CD2 4.15Å |
| 622 | L | 91.1 | Very high | 90.3 | Very high | 122 Ų | 122 | 58.6 Ų | 58.6 | 64% | 0.639 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 174.5 | -67.3 | 173.5 | 0 | 0 | 0 | 112.1 | E618 N619 T624 | E618-L622 WeakPolarHBondContact O-CG 3.48Å; E618-L622 PolarHBondContact O-N 3Å; N619-L622 PolarHBondContact O-N 2.92Å; L622-T624 VanDerWaalsContact C-N 3.35Å; L622-T624 PolarHBondContact O-N 2.89Å |
| 623 | A | 88.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 41% | 0.405 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.8 | -28.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N619 L620 | N619-A623 VanDerWaalsContact O-CB 3.25Å; N619-A623 WeakPolarHBondContact O-CB 3.41Å; N619-A623 PolarHBondContact O-N 3.38Å; L620-A623 PolarHBondContact O-N 3.1Å |
| 624 | T | 89.8 | Confident | 90.2 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -104.1 | -14.2 | -177.6 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | V546 S547 A602 V603 L620 L622 L626 | V546-T624 WeakPolarHBondContact CA-O 3.15Å; S547-T624 PolarHBondContact N-O 3.22Å; A602-T624 HydrophobicContact CB-CG2 4.33Å; V603-T624 HydrophobicContact CG2-CG2 4Å; L620-T624 WeakPolarHBondContact O-CB 3.43Å; L620-T624 WeakPolarHBondContact O-CG2 3.38Å; L620-T624 PolarHBondContact O-N 3.1Å; L620-T624 PolarHBondContact O-OG1 3.36Å; L622-T624 VanDerWaalsContact C-N 3.35Å; L622-T624 PolarHBondContact O-N 2.89Å; T624-L626 PolarHBondContact O-N 2.87Å |
| 625 | E | 90.7 | Very high | 90.1 | Very high | 125 Ų | 125 | 41.7 Ų | 41.7 | 58% | 0.584 | 22% | 0.223 | S | C | * | . | trans | 54.7 | 16.8 | -172.8 | -63.6 | -176.1 | 164.6 | 0 | 0 | 114.7 | S547 K621 | S547-E625 WeakPolarHBondContact OG-CG 2.99Å; K621-E625 WeakPolarHBondContact O-CA 3.36Å; K621-E625 PolarHBondContact O-N 3.23Å | ||
| 626 | L | 88.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | trans | -73.5 | 142.4 | -177.7 | -74.1 | 172.6 | 0 | 0 | 0 | 111.7 | V544 V546 F599 V603 T624 L631 | V544-L626 HydrophobicContact CG1-CD2 4.01Å; V546-L626 HydrophobicContact CB-CD2 3.84Å; V546-L626 HydrophobicContact CG2-CD2 3.83Å; V546-L626 HydrophobicContact CG2-CG 4.14Å; F599-L626 HydrophobicContact CB-CD1 4.05Å; F599-L626 HydrophobicContact CB-CD2 4.42Å; F599-L626 HydrophobicContact CD1-CD2 3.72Å; F599-L626 HydrophobicContact CD2-CD2 4.2Å; F599-L626 HydrophobicContact CE1-CD2 3.95Å; F599-L626 HydrophobicContact CE2-CD2 4.39Å; F599-L626 HydrophobicContact CG-CD1 4.39Å; F599-L626 HydrophobicContact CG-CD2 3.87Å; F599-L626 HydrophobicContact CZ-CD2 4.29Å; V603-L626 HydrophobicContact CG2-CD1 4.19Å; T624-L626 PolarHBondContact O-N 2.87Å; L626-L631 HydrophobicContact CB-CB 4.06Å; L626-L631 HydrophobicContact CD1-CD1 4.2Å | ||
| 627 | P | 88.8 | Confident | 89.6 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 34% | 0.338 | 23% | 0.233 | S | C | . | . | trans | -58.2 | 145.2 | 169.7 | -23.3 | 33.3 | 0 | 0 | 0 | 111.5 | V544 A629 E630 L631 | V544-P627 HydrophobicContact CG1-CG 3.98Å; P627-A629 VanDerWaalsContact C-N 3.31Å; P627-A629 PolarHBondContact O-N 3.26Å; P627-E630 PolarHBondContact O-N 2.81Å; P627-L631 PolarHBondContact O-N 3.31Å | ||
| 628 | D | 87.7 | Confident | 89.4 | Confident | 52 Ų | 52 | 44.6 Ų | 44.6 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -51 | -47.7 | -174.2 | -160.7 | 113.1 | 0 | 0 | 0 | 113.3 | K621 E630 L631 R632 | K621-D628 IonicContact NZ-OD1 2.69Å; K621-D628 PolarHBondContact NZ-OD1 3.18Å; D628-E630 PolarHBondContact O-N 2.72Å; D628-L631 PolarHBondContact O-N 3.14Å; D628-R632 VanDerWaalsContact O-CG 3.29Å; D628-R632 WeakPolarHBondContact O-CG 3.41Å; D628-R632 PolarHBondContact O-N 2.69Å; D628-R632 VanDerWaalsContact OD2-CD 3.31Å; D628-R632 WeakPolarHBondContact OD2-CD 3.34Å; D628-R632 IonicContact OD2-CZ 3.92Å; D628-R632 IonicContact OD2-NE 2.78Å; D628-R632 PolarHBondContact OD2-NE 3.49Å; D628-R632 IonicContact OD2-NH2 2.8Å |
| 629 | A | 85.1 | Confident | 89.2 | Confident | 64 Ų | 64 | 39.8 Ų | 39.8 | 53% | 0.529 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | P627 R633 | P627-A629 VanDerWaalsContact C-N 3.31Å; P627-A629 PolarHBondContact O-N 3.26Å; A629-R633 WeakPolarHBondContact O-CB 3.29Å; A629-R633 PolarHBondContact O-N 2.86Å |
| 630 | E | 84.9 | Confident | 88.8 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.3 | -39.3 | 179.8 | -71.1 | -56.8 | 147.2 | 0 | 0 | 111.5 | P627 D628 R633 T634 | P627-E630 PolarHBondContact O-N 2.81Å; D628-E630 PolarHBondContact O-N 2.72Å; E630-R633 PolarHBondContact O-N 2.81Å; E630-R633 IonicContact OE1-NE 2.7Å; E630-R633 IonicContact OE1-NH2 3.71Å; E630-R633 IonicContact OE2-CZ 3.95Å; E630-R633 VanDerWaalsContact OE2-CZ 3.29Å; E630-R633 IonicContact OE2-NE 3.06Å; E630-R633 PolarHBondContact OE2-NE 2.91Å; E630-R633 VanDerWaalsContact OE2-NE 3.12Å; E630-R633 IonicContact OE2-NH2 3.57Å; E630-R633 PolarHBondContact OE2-NH2 3.35Å; E630-T634 VanDerWaalsContact O-CB 3.25Å; E630-T634 WeakPolarHBondContact O-CB 3.39Å; E630-T634 PolarHBondContact O-N 3.42Å; E630-T634 PolarHBondContact O-OG1 2.92Å |
| 631 | L | 89.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 176.6 | -179.4 | 60.8 | 0 | 0 | 0 | 111.5 | V603 F617 K621 L626 P627 D628 R633 T634 L635 | V603-L631 HydrophobicContact CG2-CD1 3.73Å; F617-L631 HydrophobicContact CD2-CD2 4.26Å; F617-L631 HydrophobicContact CE1-CD2 4.4Å; F617-L631 HydrophobicContact CE2-CB 4.42Å; F617-L631 HydrophobicContact CE2-CD2 3.74Å; F617-L631 HydrophobicContact CE2-CG 3.82Å; F617-L631 HydrophobicContact CZ-CB 4.44Å; F617-L631 HydrophobicContact CZ-CD2 3.82Å; F617-L631 HydrophobicContact CZ-CG 4.17Å; K621-L631 HydrophobicContact CB-CD2 3.61Å; K621-L631 HydrophobicContact CG-CD2 4.15Å; L626-L631 HydrophobicContact CB-CB 4.06Å; L626-L631 HydrophobicContact CD1-CD1 4.2Å; P627-L631 PolarHBondContact O-N 3.31Å; D628-L631 PolarHBondContact O-N 3.14Å; L631-R633 VanDerWaalsContact C-N 3.31Å; L631-R633 PolarHBondContact O-N 3.14Å; L631-T634 PolarHBondContact O-N 3.44Å; L631-L635 HydrophobicContact CD1-CD1 3.89Å; L631-L635 HydrophobicContact CD1-CG 4.05Å; L631-L635 HydrophobicContact CG-CD1 3.82Å; L631-L635 HydrophobicContact CG-CG 4.39Å; L631-L635 WeakPolarHBondContact O-CB 3.4Å; L631-L635 WeakPolarHBondContact O-CG 3.47Å; L631-L635 PolarHBondContact O-N 2.85Å |
| 632 | R | 90.1 | Very high | 87.8 | Confident | 37 Ų | 37 | 40.9 Ų | 40.9 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.7 | -44.5 | 176.5 | -72.6 | 172.2 | -177.7 | -82.4 | -11 | 112.1 | F617 D628 W636 P658 K659 F661 | F617-R632 HydrophobicContact CE2-CG 3.65Å; F617-R632 HydrophobicContact CZ-CG 3.63Å; D628-R632 VanDerWaalsContact O-CG 3.29Å; D628-R632 WeakPolarHBondContact O-CG 3.41Å; D628-R632 PolarHBondContact O-N 2.69Å; D628-R632 VanDerWaalsContact OD2-CD 3.31Å; D628-R632 WeakPolarHBondContact OD2-CD 3.34Å; D628-R632 IonicContact OD2-CZ 3.92Å; D628-R632 IonicContact OD2-NE 2.78Å; D628-R632 PolarHBondContact OD2-NE 3.49Å; D628-R632 IonicContact OD2-NH2 2.8Å; R632-W636 VanDerWaalsContact O-CB 3.28Å; R632-W636 WeakPolarHBondContact O-CB 3.21Å; R632-W636 PolarHBondContact O-N 2.8Å; R632-P658 HydrophobicContact CB-CB 4.3Å; R632-P658 WeakPolarHBondContact CD-O 3.49Å; R632-P658 PolarHBondContact NH1-O 2.59Å; R632-K659 PolarHBondContact NH1-O 3.14Å; R632-F661 HydrophobicContact CB-CD2 4.4Å; R632-F661 HydrophobicContact CG-CD2 4.29Å; R632-F661 VanDerWaalsContact CZ-O 3.26Å; R632-F661 PolarHBondContact NH1-O 2.91Å; R632-F661 PolarHBondContact NH2-O 3.49Å |
| 633 | R | 86.8 | Confident | 87.2 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 21% | 0.211 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 178.5 | -170.9 | 174.6 | 71.9 | 123.9 | 3.9 | 111.6 | A629 E630 L631 S637 L693 T697 | A629-R633 WeakPolarHBondContact O-CB 3.29Å; A629-R633 PolarHBondContact O-N 2.86Å; E630-R633 PolarHBondContact O-N 2.81Å; E630-R633 IonicContact OE1-NE 2.7Å; E630-R633 IonicContact OE1-NH2 3.71Å; E630-R633 IonicContact OE2-CZ 3.95Å; E630-R633 VanDerWaalsContact OE2-CZ 3.29Å; E630-R633 IonicContact OE2-NE 3.06Å; E630-R633 PolarHBondContact OE2-NE 2.91Å; E630-R633 VanDerWaalsContact OE2-NE 3.12Å; E630-R633 IonicContact OE2-NH2 3.57Å; E630-R633 PolarHBondContact OE2-NH2 3.35Å; L631-R633 VanDerWaalsContact C-N 3.31Å; L631-R633 PolarHBondContact O-N 3.14Å; R633-S637 PolarHBondContact O-N 2.84Å; R633-L693 HydrophobicContact CG-CD2 3.75Å; R633-L693 PolarHBondContact NH1-O 2.9Å; R633-L693 PolarHBondContact NH2-O 3.48Å; R633-T697 VanDerWaalsContact NH1-CG2 3.25Å |
| 634 | T | 89.3 | Confident | 86.9 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -49 | 176.7 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | F599 Q600 V603 E630 L631 W636 S637 L638 | F599-T634 HydrophobicContact CB-CG2 4.06Å; Q600-T634 HydrophobicContact CB-CG2 4.25Å; Q600-T634 HydrophobicContact CG-CG2 3.71Å; V603-T634 HydrophobicContact CB-CG2 4.5Å; V603-T634 HydrophobicContact CG2-CG2 3.91Å; E630-T634 VanDerWaalsContact O-CB 3.25Å; E630-T634 WeakPolarHBondContact O-CB 3.39Å; E630-T634 PolarHBondContact O-N 3.42Å; E630-T634 PolarHBondContact O-OG1 2.92Å; L631-T634 PolarHBondContact O-N 3.44Å; T634-W636 PolarHBondContact O-N 3.29Å; T634-S637 PolarHBondContact O-N 2.88Å; T634-S637 PolarHBondContact O-OG 3.33Å; T634-L638 PolarHBondContact O-N 3.1Å |
| 635 | L | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 177.6 | -74 | 168.2 | 0 | 0 | 0 | 112 | V603 F617 L620 L631 S637 L638 V639 L649 F661 F667 | V603-L635 HydrophobicContact CG1-CD2 3.67Å; F617-L635 HydrophobicContact CD2-CD1 3.62Å; F617-L635 HydrophobicContact CE2-CD1 3.79Å; L620-L635 HydrophobicContact CD1-CD1 4.36Å; L620-L635 HydrophobicContact CD1-CD2 4.02Å; L631-L635 HydrophobicContact CD1-CD1 3.89Å; L631-L635 HydrophobicContact CD1-CG 4.05Å; L631-L635 HydrophobicContact CG-CD1 3.82Å; L631-L635 HydrophobicContact CG-CG 4.39Å; L631-L635 WeakPolarHBondContact O-CB 3.4Å; L631-L635 WeakPolarHBondContact O-CG 3.47Å; L631-L635 PolarHBondContact O-N 2.85Å; L635-S637 PolarHBondContact O-N 2.94Å; L635-L638 WeakPolarHBondContact O-CA 3.25Å; L635-L638 WeakPolarHBondContact O-CB 3.43Å; L635-L638 PolarHBondContact O-N 3.05Å; L635-V639 WeakPolarHBondContact O-CG2 3.46Å; L635-V639 PolarHBondContact O-N 3.3Å; L635-L649 HydrophobicContact CD2-CD1 4.2Å; L635-F661 HydrophobicContact CB-CE2 4.27Å; L635-F667 HydrophobicContact CB-CE1 4.16Å; L635-F667 HydrophobicContact CB-CZ 4.42Å; L635-F667 HydrophobicContact CD1-CD2 4.41Å; L635-F667 HydrophobicContact CD1-CE1 4.25Å; L635-F667 HydrophobicContact CD1-CE2 3.95Å; L635-F667 HydrophobicContact CD1-CZ 3.87Å; L635-F667 HydrophobicContact CD2-CD1 4.09Å; L635-F667 HydrophobicContact CD2-CE1 4.27Å; L635-F667 HydrophobicContact CD2-CG 4.3Å; L635-F667 HydrophobicContact CG-CE1 4.48Å |
| 636 | W | 89.9 | Confident | 86.2 | Confident | 67 Ų | 67 | 47.7 Ų | 47.7 | 25% | 0.254 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.5 | -39.7 | 177.4 | -169.6 | -102.2 | 0 | 0 | 0 | 112.6 | R632 T634 L638 V639 A640 V655 S656 P658 F661 | R632-W636 VanDerWaalsContact O-CB 3.28Å; R632-W636 WeakPolarHBondContact O-CB 3.21Å; R632-W636 PolarHBondContact O-N 2.8Å; T634-W636 PolarHBondContact O-N 3.29Å; W636-L638 PolarHBondContact O-N 2.86Å; W636-V639 HydrophobicContact CE3-CG2 4.25Å; W636-V639 PolarHBondContact O-N 3.36Å; W636-A640 HydrophobicContact CD2-CB 3.96Å; W636-A640 HydrophobicContact CE3-CB 4.38Å; W636-A640 HydrophobicContact CG-CB 4.47Å; W636-A640 HydrophobicContact CH2-CB 4.1Å; W636-A640 HydrophobicContact CZ2-CB 3.69Å; W636-A640 HydrophobicContact CZ3-CB 4.43Å; W636-A640 WeakPolarHBondContact O-CA 3.44Å; W636-A640 PolarHBondContact O-N 3.07Å; W636-V655 HydrophobicContact CZ3-CG2 4.23Å; W636-S656 WeakPolarHBondContact CH2-O 3.43Å; W636-S656 WeakPolarHBondContact CZ2-O 3.43Å; W636-P658 HydrophobicContact CB-CB 3.93Å; W636-P658 HydrophobicContact CD2-CB 4.17Å; W636-P658 HydrophobicContact CD2-CG 4.31Å; W636-P658 HydrophobicContact CE3-CB 4.24Å; W636-P658 HydrophobicContact CG-CB 4.03Å; W636-P658 HydrophobicContact CG-CG 4.22Å; W636-F661 HydrophobicContact CB-CE2 4.43Å; W636-F661 HydrophobicContact CE3-CE1 4.4Å; W636-F661 AromaticContact CE3-CE2 3.93Å; W636-F661 HydrophobicContact CE3-CE2 3.93Å; W636-F661 AromaticContact CE3-CZ 3.56Å; W636-F661 HydrophobicContact CE3-CZ 3.56Å; W636-F661 HydrophobicContact CZ3-CE1 4.49Å; W636-F661 HydrophobicContact CZ3-CZ 4.06Å |
| 637 | S | 87.5 | Confident | 86.3 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -23.2 | 177.1 | 76.6 | 0 | 0 | 0 | 0 | 114.6 | Q600 R633 T634 L635 L693 | Q600-S637 PolarHBondContact NE2-OG 2.84Å; R633-S637 PolarHBondContact O-N 2.84Å; T634-S637 PolarHBondContact O-N 2.88Å; T634-S637 PolarHBondContact O-OG 3.33Å; L635-S637 PolarHBondContact O-N 2.94Å; S637-L693 VanDerWaalsContact CB-CD1 3.48Å; S637-L693 VanDerWaalsContact OG-CD1 3.28Å; S637-L693 WeakPolarHBondContact OG-CD1 3.37Å |
| 638 | L | 88.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -91.3 | -27.6 | 179.8 | -64.8 | 172.7 | 0 | 0 | 0 | 112.1 | Q600 V603 L604 T634 L635 W636 V648 L649 L689 | Q600-L638 HydrophobicContact CB-CD2 4.37Å; Q600-L638 HydrophobicContact CG-CD1 4.42Å; Q600-L638 HydrophobicContact CG-CD2 4.14Å; Q600-L638 HydrophobicContact CG-CG 4.25Å; V603-L638 HydrophobicContact CB-CD1 4.41Å; V603-L638 HydrophobicContact CG1-CD1 3.85Å; L604-L638 HydrophobicContact CD1-CD2 4.16Å; L604-L638 HydrophobicContact CD2-CD1 4.16Å; L604-L638 HydrophobicContact CG-CD1 4.15Å; L604-L638 HydrophobicContact CG-CD2 4.48Å; T634-L638 PolarHBondContact O-N 3.1Å; L635-L638 WeakPolarHBondContact O-CA 3.25Å; L635-L638 WeakPolarHBondContact O-CB 3.43Å; L635-L638 PolarHBondContact O-N 3.05Å; W636-L638 PolarHBondContact O-N 2.86Å; L638-V648 PolarHBondContact O-N 3Å; L638-L649 HydrophobicContact CB-CB 4.32Å; L638-L649 HydrophobicContact CB-CD1 3.77Å; L638-L649 HydrophobicContact CB-CG 3.97Å; L638-L649 HydrophobicContact CD1-CD1 3.73Å; L638-L649 HydrophobicContact CD1-CG 4.49Å; L638-L649 HydrophobicContact CG-CD1 4.39Å; L638-L649 PolarHBondContact O-N 3.22Å; L638-L649 VanDerWaalsContact O-N 3.14Å; L638-L689 HydrophobicContact CD2-CD1 4.27Å |
| 639 | V | 89.2 | Confident | 86.5 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -99.5 | -19.3 | -179.9 | -58.7 | 0 | 0 | 0 | 0 | 114.7 | L635 W636 Q647 L649 Y651 F661 F667 | L635-V639 WeakPolarHBondContact O-CG2 3.46Å; L635-V639 PolarHBondContact O-N 3.3Å; W636-V639 HydrophobicContact CE3-CG2 4.25Å; W636-V639 PolarHBondContact O-N 3.36Å; V639-Q647 WeakPolarHBondContact O-CB 3.11Å; V639-Q647 WeakPolarHBondContact O-CG 3.38Å; V639-L649 HydrophobicContact CG1-CB 3.62Å; V639-Y651 HydrophobicContact CB-CD1 3.52Å; V639-Y651 HydrophobicContact CB-CE1 3.73Å; V639-Y651 HydrophobicContact CG1-CD1 3.61Å; V639-Y651 HydrophobicContact CG1-CE1 4.33Å; V639-Y651 HydrophobicContact CG1-CG 4.29Å; V639-Y651 HydrophobicContact CG2-CD1 3.87Å; V639-Y651 HydrophobicContact CG2-CE1 3.79Å; V639-F661 HydrophobicContact CG2-CZ 3.97Å; V639-F667 HydrophobicContact CG1-CD1 3.96Å; V639-F667 HydrophobicContact CG1-CE1 4.08Å |
| 640 | A | 84.9 | Confident | 86.8 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 24% | 0.24 | 21% | 0.209 | C | C | . | . | trans | -143.6 | 47.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W636 P642 | W636-A640 HydrophobicContact CD2-CB 3.96Å; W636-A640 HydrophobicContact CE3-CB 4.38Å; W636-A640 HydrophobicContact CG-CB 4.47Å; W636-A640 HydrophobicContact CH2-CB 4.1Å; W636-A640 HydrophobicContact CZ2-CB 3.69Å; W636-A640 HydrophobicContact CZ3-CB 4.43Å; W636-A640 WeakPolarHBondContact O-CA 3.44Å; W636-A640 PolarHBondContact O-N 3.07Å; A640-P642 WeakPolarHBondContact O-CD 3.42Å | ||
| 641 | F | 83.8 | Confident | 87.1 | Confident | 25 Ų | 25 | 44 Ų | 44 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | trans | -74.1 | 120.1 | 176.5 | -164.4 | -97.7 | 0 | 0 | 0 | 111.3 | K643 L644 Q647 N688 L689 | F641-K643 VanDerWaalsContact C-N 3.29Å; F641-K643 HydrophobicContact CD1-CB 4.11Å; F641-K643 HydrophobicContact CE1-CB 3.83Å; F641-K643 HydrophobicContact CE1-CG 4.34Å; F641-K643 PolarHBondContact O-N 3.13Å; F641-K643 VanDerWaalsContact O-N 3.12Å; F641-L644 HydrophobicContact CB-CB 4.39Å; F641-L644 HydrophobicContact CB-CD1 4.07Å; F641-L644 HydrophobicContact CB-CG 4.42Å; F641-L644 HydrophobicContact CD1-CB 4.25Å; F641-L644 HydrophobicContact CD1-CD1 3.89Å; F641-L644 HydrophobicContact CD1-CG 3.7Å; F641-L644 HydrophobicContact CE1-CG 4.42Å; F641-L644 HydrophobicContact CG-CD1 4.21Å; F641-L644 HydrophobicContact CG-CG 4.44Å; F641-L644 PolarHBondContact O-N 3.44Å; F641-L644 VanDerWaalsContact O-N 3.16Å; F641-Q647 PolarHBondContact O-NE2 2.67Å; F641-N688 WeakPolarHBondContact CZ-O 3.43Å; F641-L689 HydrophobicContact CD1-CD2 4.37Å; F641-L689 HydrophobicContact CD2-CD2 4.13Å; F641-L689 HydrophobicContact CE2-CD2 4.38Å; F641-L689 HydrophobicContact CG-CD2 4.12Å | ||
| 642 | P | 77.9 | Confident | 87.1 | Confident | 127 Ų | 127 | 48 Ų | 48 | 83% | 0.825 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -27.2 | -168.8 | -27.6 | 35.2 | 0 | 0 | 0 | 116.1 | A640 | A640-P642 WeakPolarHBondContact O-CD 3.42Š|
| 643 | K | 78.8 | Confident | 86.9 | Confident | 191 Ų | 191 | 49.6 Ų | 49.6 | 83% | 0.83 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -1.8 | -176.6 | -60 | -178.6 | 175.8 | 178.8 | 0 | 113.6 | F641 | F641-K643 VanDerWaalsContact C-N 3.29Å; F641-K643 HydrophobicContact CD1-CB 4.11Å; F641-K643 HydrophobicContact CE1-CB 3.83Å; F641-K643 HydrophobicContact CE1-CG 4.34Å; F641-K643 PolarHBondContact O-N 3.13Å; F641-K643 VanDerWaalsContact O-N 3.12Å |
| 644 | L | 82.4 | Confident | 86.6 | Confident | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | trans | -107.2 | 130.8 | -177.5 | -72.1 | 176.2 | 0 | 0 | 0 | 111 | F641 Q647 F673 I687 L689 | F641-L644 HydrophobicContact CB-CB 4.39Å; F641-L644 HydrophobicContact CB-CD1 4.07Å; F641-L644 HydrophobicContact CB-CG 4.42Å; F641-L644 HydrophobicContact CD1-CB 4.25Å; F641-L644 HydrophobicContact CD1-CD1 3.89Å; F641-L644 HydrophobicContact CD1-CG 3.7Å; F641-L644 HydrophobicContact CE1-CG 4.42Å; F641-L644 HydrophobicContact CG-CD1 4.21Å; F641-L644 HydrophobicContact CG-CG 4.44Å; F641-L644 PolarHBondContact O-N 3.44Å; F641-L644 VanDerWaalsContact O-N 3.16Å; L644-Q647 PolarHBondContact O-NE2 3.35Å; L644-F673 HydrophobicContact CD1-CE2 4.3Å; L644-I687 HydrophobicContact CD1-CG2 4.24Å; L644-I687 HydrophobicContact CD2-CD1 4.34Å; L644-I687 HydrophobicContact CD2-CG2 4.21Å; L644-L689 HydrophobicContact CD1-CD2 3.52Å | ||
| 645 | K | 82.2 | Confident | 86.3 | Confident | 159 Ų | 159 | 53 Ų | 53 | 69% | 0.691 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -75.1 | -35.9 | 174.3 | -69.8 | -172.3 | 176 | -172.2 | 0 | 112.3 | I676 | K645-I676 HydrophobicContact CB-CD1 4.01Å; K645-I676 HydrophobicContact CD-CB 4.27Å; K645-I676 HydrophobicContact CD-CD1 4Å; K645-I676 HydrophobicContact CD-CG2 4.26Å |
| 646 | K | 84.9 | Confident | 85.8 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -117.4 | 131.3 | 173.4 | -68.6 | -165 | 173.6 | -163.7 | 0 | 108.5 | E672 F673 | K646-E672 WeakPolarHBondContact CD-O 3.43Å; K646-E672 PolarHBondContact NZ-O 2.93Å; K646-E672 IonicContact NZ-OE2 3.29Å; K646-F673 HydrophobicContact CB-CD2 4.33Å; K646-F673 WeakPolarHBondContact O-CD2 3.28Å; K646-F673 WeakPolarHBondContact O-CE2 3.39Å |
| 647 | Q | 90.1 | Very high | 85.3 | Confident | 39 Ų | 39 | 56.9 Ų | 56.9 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | trans | -90.7 | 154.9 | -173.6 | -56.4 | -66.4 | -18.8 | 0 | 0 | 110.6 | V639 F641 L644 N670 F673 | V639-Q647 WeakPolarHBondContact O-CB 3.11Å; V639-Q647 WeakPolarHBondContact O-CG 3.38Å; F641-Q647 PolarHBondContact O-NE2 2.67Å; L644-Q647 PolarHBondContact O-NE2 3.35Å; Q647-N670 VanDerWaalsContact O-CB 3.29Å; Q647-N670 WeakPolarHBondContact O-CB 3.3Å; Q647-N670 PolarHBondContact O-ND2 3.45Å; Q647-F673 WeakPolarHBondContact O-CD2 3.29Å | ||
| 648 | V | 89.2 | Confident | 85 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -72.3 | -43.2 | -176.1 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | F585 L594 L604 L638 N670 F673 L689 | F585-V648 HydrophobicContact CD2-CG1 4.39Å; F585-V648 HydrophobicContact CE2-CG1 3.97Å; F585-V648 HydrophobicContact CZ-CG1 4.11Å; L594-V648 HydrophobicContact CD1-CG1 4.08Å; L594-V648 HydrophobicContact CD1-CG2 4.25Å; L604-V648 HydrophobicContact CD2-CG1 4.07Å; L638-V648 PolarHBondContact O-N 3Å; V648-N670 VanDerWaalsContact O-CB 3.3Å; V648-N670 WeakPolarHBondContact O-CB 3.15Å; V648-N670 PolarHBondContact O-N 2.74Å; V648-F673 HydrophobicContact CG2-CD2 4.31Å; V648-F673 HydrophobicContact CG2-CE2 3.81Å; V648-F673 HydrophobicContact CG2-CZ 3.98Å; V648-L689 HydrophobicContact CG2-CD1 3.73Å |
| 649 | L | 91.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 149.2 | 174.3 | -63.8 | -177 | 0 | 0 | 0 | 110.1 | V603 L604 W607 L635 L638 V639 Y668 V669 | V603-L649 HydrophobicContact CG1-CD1 4.43Å; L604-L649 HydrophobicContact CD2-CD1 4.38Å; L604-L649 HydrophobicContact CD2-CD2 4.01Å; L604-L649 HydrophobicContact CD2-CG 4.24Å; W607-L649 HydrophobicContact CE3-CD2 4.38Å; W607-L649 HydrophobicContact CH2-CD1 3.91Å; W607-L649 HydrophobicContact CH2-CD2 4.29Å; W607-L649 HydrophobicContact CZ3-CD1 3.94Å; W607-L649 HydrophobicContact CZ3-CD2 4.14Å; L635-L649 HydrophobicContact CD2-CD1 4.2Å; L638-L649 HydrophobicContact CB-CB 4.32Å; L638-L649 HydrophobicContact CB-CD1 3.77Å; L638-L649 HydrophobicContact CB-CG 3.97Å; L638-L649 HydrophobicContact CD1-CD1 3.73Å; L638-L649 HydrophobicContact CD1-CG 4.49Å; L638-L649 HydrophobicContact CG-CD1 4.39Å; L638-L649 PolarHBondContact O-N 3.22Å; L638-L649 VanDerWaalsContact O-N 3.14Å; V639-L649 HydrophobicContact CG1-CB 3.62Å; L649-Y668 WeakPolarHBondContact CA-O 3.48Å; L649-V669 HydrophobicContact CD2-CG2 4.12Å |
| 650 | S | 90.9 | Very high | 84.5 | Confident | 28 Ų | 28 | 70 Ų | 70 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 156.5 | 167.8 | -65 | 0 | 0 | 0 | 0 | 108.9 | F667 Y668 | S650-F667 WeakPolarHBondContact O-CA 3.44Å; S650-Y668 PolarHBondContact N-O 2.7Å; S650-Y668 PolarHBondContact O-N 2.87Å |
| 651 | Y | 92.5 | Very high | 84.5 | Confident | 48 Ų | 48 | 68.9 Ų | 68.9 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 156.7 | -174.5 | 69.7 | -79.1 | 0 | 0 | 0 | 111.9 | V639 P653 V655 F661 T665 L666 F667 | V639-Y651 HydrophobicContact CB-CD1 3.52Å; V639-Y651 HydrophobicContact CB-CE1 3.73Å; V639-Y651 HydrophobicContact CG1-CD1 3.61Å; V639-Y651 HydrophobicContact CG1-CE1 4.33Å; V639-Y651 HydrophobicContact CG1-CG 4.29Å; V639-Y651 HydrophobicContact CG2-CD1 3.87Å; V639-Y651 HydrophobicContact CG2-CE1 3.79Å; Y651-P653 VanDerWaalsContact CD2-O 3.26Å; Y651-P653 WeakPolarHBondContact CD2-O 3.41Å; Y651-P653 VanDerWaalsContact CE2-O 3.28Å; Y651-P653 WeakPolarHBondContact CE2-O 3.4Å; Y651-V655 HydrophobicContact CE2-CB 4.4Å; Y651-V655 HydrophobicContact CE2-CG2 3.76Å; Y651-V655 VanDerWaalsContact CE2-N 3.32Å; Y651-V655 PolarHBondContact OH-N 3.11Å; Y651-V655 PolarHBondContact OH-O 2.88Å; Y651-F661 AromaticContact CD2-CE1 3.92Å; Y651-F661 HydrophobicContact CD2-CE1 3.92Å; Y651-F661 AromaticContact CE2-CE1 3.95Å; Y651-F661 HydrophobicContact CE2-CE1 3.95Å; Y651-F661 HydrophobicContact CG-CE1 4.44Å; Y651-T665 HydrophobicContact CD2-CG2 4.23Å; Y651-L666 CarbonylContact C-O 3.56Å; Y651-L666 WeakPolarHBondContact CA-O 3.34Å; Y651-L666 WeakPolarHBondContact CB-O 3.27Å; Y651-F667 HydrophobicContact CG-CD1 4.44Å; Y651-F667 HydrophobicContact CG-CE1 4.2Å |
| 652 | D | 87.6 | Confident | 84.7 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 129.2 | -176.5 | -174.3 | 33 | 0 | 0 | 0 | 109.4 | L666 | D652-L666 PolarHBondContact N-O 3.32Å; D652-L666 PolarHBondContact O-N 3.03Å |
| 653 | P | 85.6 | Confident | 85.3 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | S | Bend | cis | -73.2 | 157.2 | -1.3 | 31.1 | -35.6 | 0 | 0 | 0 | 114 | Y651 | Y651-P653 VanDerWaalsContact CD2-O 3.26Å; Y651-P653 WeakPolarHBondContact CD2-O 3.41Å; Y651-P653 VanDerWaalsContact CE2-O 3.28Å; Y651-P653 WeakPolarHBondContact CE2-O 3.4Å |
| 654 | S | 82.5 | Confident | 85.8 | Confident | 105 Ų | 105 | 63.7 Ų | 63.7 | 73% | 0.734 | 36% | 0.359 | S | S | * | . | trans | -69 | 131.3 | 177.7 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 655 | V | 82.4 | Confident | 86.2 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | trans | -134.6 | 149.5 | -176.7 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | W636 Y651 D660 F661 | W636-V655 HydrophobicContact CZ3-CG2 4.23Å; Y651-V655 HydrophobicContact CE2-CB 4.4Å; Y651-V655 HydrophobicContact CE2-CG2 3.76Å; Y651-V655 VanDerWaalsContact CE2-N 3.32Å; Y651-V655 PolarHBondContact OH-N 3.11Å; Y651-V655 PolarHBondContact OH-O 2.88Å; V655-D660 HydrophobicContact CB-CB 3.82Å; V655-D660 HydrophobicContact CG1-CB 4.09Å; V655-D660 HydrophobicContact CG2-CB 4.25Å; V655-F661 HydrophobicContact CG2-CD1 3.4Å; V655-F661 HydrophobicContact CG2-CE1 3.33Å; V655-F661 HydrophobicContact CG2-CG 4.38Å; V655-F661 HydrophobicContact CG2-CZ 4.28Å | ||
| 656 | S | 78.4 | Confident | 86.7 | Confident | 114 Ų | 114 | 57.7 Ų | 57.7 | 80% | 0.797 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -92.3 | -12.8 | -174.4 | -57 | 0 | 0 | 0 | 0 | 113.9 | W636 | W636-S656 WeakPolarHBondContact CH2-O 3.43Å; W636-S656 WeakPolarHBondContact CZ2-O 3.43Å |
| 657 | S | 80.7 | Confident | 87.1 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -140.5 | 155.8 | 178 | 95 | 0 | 0 | 0 | 0 | 113.3 | K659 D660 | S657-K659 PolarHBondContact O-N 3.21Å; S657-K659 PolarHBondContact OG-N 3.48Å; S657-D660 WeakPolarHBondContact CB-OD2 3.44Å; S657-D660 PolarHBondContact N-OD2 2.93Å; S657-D660 VanDerWaalsContact N-OD2 3.16Å; S657-D660 PolarHBondContact O-N 2.98Å; S657-D660 VanDerWaalsContact O-N 3.14Å; S657-D660 PolarHBondContact OG-OD1 2.81Å; S657-D660 PolarHBondContact OG-OD2 3.28Å |
| 658 | P | 80.2 | Confident | 87.3 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 26% | 0.26 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -61.7 | -23.5 | 175.8 | 21.9 | -32 | 0 | 0 | 0 | 114 | R632 W636 D660 F661 | R632-P658 HydrophobicContact CB-CB 4.3Å; R632-P658 WeakPolarHBondContact CD-O 3.49Å; R632-P658 PolarHBondContact NH1-O 2.59Å; W636-P658 HydrophobicContact CB-CB 3.93Å; W636-P658 HydrophobicContact CD2-CB 4.17Å; W636-P658 HydrophobicContact CD2-CG 4.31Å; W636-P658 HydrophobicContact CE3-CB 4.24Å; W636-P658 HydrophobicContact CG-CB 4.03Å; W636-P658 HydrophobicContact CG-CG 4.22Å; P658-D660 VanDerWaalsContact C-N 3.25Å; P658-D660 PolarHBondContact O-N 3.08Å; P658-F661 HydrophobicContact CB-CE2 4.44Å; P658-F661 VanDerWaalsContact O-CD2 3.29Å; P658-F661 WeakPolarHBondContact O-CD2 3.44Å |
| 659 | K | 82.9 | Confident | 87.5 | Confident | 176 Ų | 176 | 56.9 Ų | 56.9 | 77% | 0.765 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -74.6 | -21.2 | 179.9 | -65.3 | -178.1 | 178.7 | -178.9 | 0 | 112.1 | R632 S657 F661 | R632-K659 PolarHBondContact NH1-O 3.14Å; S657-K659 PolarHBondContact O-N 3.21Å; S657-K659 PolarHBondContact OG-N 3.48Å; K659-F661 VanDerWaalsContact C-N 3.33Å |
| 660 | D | 84.2 | Confident | 87.4 | Confident | 82 Ų | 82 | 58 Ų | 58 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -87.6 | -3.2 | -174.6 | -54 | -37.4 | 0 | 0 | 0 | 112.7 | V655 S657 P658 T662 | V655-D660 HydrophobicContact CB-CB 3.82Å; V655-D660 HydrophobicContact CG1-CB 4.09Å; V655-D660 HydrophobicContact CG2-CB 4.25Å; S657-D660 WeakPolarHBondContact CB-OD2 3.44Å; S657-D660 PolarHBondContact N-OD2 2.93Å; S657-D660 VanDerWaalsContact N-OD2 3.16Å; S657-D660 PolarHBondContact O-N 2.98Å; S657-D660 VanDerWaalsContact O-N 3.14Å; S657-D660 PolarHBondContact OG-OD1 2.81Å; S657-D660 PolarHBondContact OG-OD2 3.28Å; P658-D660 VanDerWaalsContact C-N 3.25Å; P658-D660 PolarHBondContact O-N 3.08Å; D660-T662 PolarHBondContact O-N 3.26Å |
| 661 | F | 86.5 | Confident | 87.3 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | trans | -61.9 | 137 | 171.3 | -61.1 | -48 | 0 | 0 | 0 | 110.3 | F617 R632 L635 W636 V639 Y651 V655 P658 K659 T665 F667 | F617-F661 HydrophobicContact CD2-CB 4.46Å; R632-F661 HydrophobicContact CB-CD2 4.4Å; R632-F661 HydrophobicContact CG-CD2 4.29Å; R632-F661 VanDerWaalsContact CZ-O 3.26Å; R632-F661 PolarHBondContact NH1-O 2.91Å; R632-F661 PolarHBondContact NH2-O 3.49Å; L635-F661 HydrophobicContact CB-CE2 4.27Å; W636-F661 HydrophobicContact CB-CE2 4.43Å; W636-F661 HydrophobicContact CE3-CE1 4.4Å; W636-F661 AromaticContact CE3-CE2 3.93Å; W636-F661 HydrophobicContact CE3-CE2 3.93Å; W636-F661 AromaticContact CE3-CZ 3.56Å; W636-F661 HydrophobicContact CE3-CZ 3.56Å; W636-F661 HydrophobicContact CZ3-CE1 4.49Å; W636-F661 HydrophobicContact CZ3-CZ 4.06Å; V639-F661 HydrophobicContact CG2-CZ 3.97Å; Y651-F661 AromaticContact CD2-CE1 3.92Å; Y651-F661 HydrophobicContact CD2-CE1 3.92Å; Y651-F661 AromaticContact CE2-CE1 3.95Å; Y651-F661 HydrophobicContact CE2-CE1 3.95Å; Y651-F661 HydrophobicContact CG-CE1 4.44Å; V655-F661 HydrophobicContact CG2-CD1 3.4Å; V655-F661 HydrophobicContact CG2-CE1 3.33Å; V655-F661 HydrophobicContact CG2-CG 4.38Å; V655-F661 HydrophobicContact CG2-CZ 4.28Å; P658-F661 HydrophobicContact CB-CE2 4.44Å; P658-F661 VanDerWaalsContact O-CD2 3.29Å; P658-F661 WeakPolarHBondContact O-CD2 3.44Å; K659-F661 VanDerWaalsContact C-N 3.33Å; F661-T665 HydrophobicContact CD1-CG2 4.01Å; F661-F667 HydrophobicContact CD1-CE1 4.36Å; F661-F667 AromaticContact CD1-CZ 3.76Å; F661-F667 HydrophobicContact CD1-CZ 3.76Å; F661-F667 HydrophobicContact CD2-CZ 4.24Å; F661-F667 AromaticContact CE1-CE1 3.88Å; F661-F667 HydrophobicContact CE1-CE1 3.88Å; F661-F667 AromaticContact CE1-CZ 3.75Å; F661-F667 HydrophobicContact CE1-CZ 3.75Å; F661-F667 HydrophobicContact CE2-CE1 4.45Å; F661-F667 HydrophobicContact CE2-CZ 4.24Å; F661-F667 HydrophobicContact CG-CZ 4Å; F661-F667 AromaticContact CZ-CE1 3.92Å; F661-F667 HydrophobicContact CZ-CE1 3.92Å; F661-F667 AromaticContact CZ-CZ 3.98Å; F661-F667 HydrophobicContact CZ-CZ 3.98Å | ||
| 662 | T | 88.3 | Confident | 87 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | trans | -108 | 162 | 174.9 | 60.8 | 0 | 0 | 0 | 0 | 109 | F617 D660 A664 T665 | F617-T662 VanDerWaalsContact CB-O 3.3Å; F617-T662 WeakPolarHBondContact CB-O 3.34Å; D660-T662 PolarHBondContact O-N 3.26Å; T662-A664 PolarHBondContact O-N 3.2Å; T662-A664 VanDerWaalsContact O-N 3.13Å; T662-T665 PolarHBondContact N-OG1 3.49Å; T662-T665 VanDerWaalsContact O-CB 3.3Å; T662-T665 WeakPolarHBondContact O-CB 3.32Å; T662-T665 PolarHBondContact O-N 2.72Å; T662-T665 PolarHBondContact O-OG1 3.46Å; T662-T665 PolarHBondContact OG1-N 3.34Å; T662-T665 PolarHBondContact OG1-OG1 2.85Å | ||
| 663 | D | 88.6 | Confident | 87 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.6 | 178.1 | -64.4 | -28.8 | 0 | 0 | 0 | 112.2 | F617 E618 | F617-D663 PolarHBondContact N-O 2.81Å; E618-D663 HydrophobicContact CB-CB 4.31Å; E618-D663 PolarHBondContact N-O 3.37Å |
| 664 | A | 89.4 | Confident | 87 | Confident | 76 Ų | 76 | 55 Ų | 55 | 63% | 0.628 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T662 L666 | T662-A664 PolarHBondContact O-N 3.2Å; T662-A664 VanDerWaalsContact O-N 3.13Å; A664-L666 PolarHBondContact O-N 3.27Å |
| 665 | T | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -62.1 | 124.8 | -179.9 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | S616 F617 Y651 F661 T662 F667 | S616-T665 CarbonylContact C-O 3.42Å; S616-T665 WeakPolarHBondContact CA-O 3.41Å; F617-T665 PolarHBondContact N-O 3.04Å; Y651-T665 HydrophobicContact CD2-CG2 4.23Å; F661-T665 HydrophobicContact CD1-CG2 4.01Å; T662-T665 PolarHBondContact N-OG1 3.49Å; T662-T665 VanDerWaalsContact O-CB 3.3Å; T662-T665 WeakPolarHBondContact O-CB 3.32Å; T662-T665 PolarHBondContact O-N 2.72Å; T662-T665 PolarHBondContact O-OG1 3.46Å; T662-T665 PolarHBondContact OG1-N 3.34Å; T662-T665 PolarHBondContact OG1-OG1 2.85Å; T665-F667 HydrophobicContact CG2-CD2 4.41Å; T665-F667 HydrophobicContact CG2-CE1 4.48Å; T665-F667 HydrophobicContact CG2-CE2 3.7Å; T665-F667 HydrophobicContact CG2-CZ 3.75Å; T665-F667 WeakPolarHBondContact O-CD2 3.19Å | ||
| 666 | L | 92.4 | Very high | 87.1 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 32% | 0.319 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.5 | -176.9 | -63.8 | 178.3 | 0 | 0 | 0 | 110.3 | K614 Y651 D652 A664 | K614-L666 HydrophobicContact CB-CB 4.3Å; K614-L666 HydrophobicContact CB-CD1 4.44Å; K614-L666 HydrophobicContact CD-CD1 4.21Å; Y651-L666 CarbonylContact C-O 3.56Å; Y651-L666 WeakPolarHBondContact CA-O 3.34Å; Y651-L666 WeakPolarHBondContact CB-O 3.27Å; D652-L666 PolarHBondContact N-O 3.32Å; D652-L666 PolarHBondContact O-N 3.03Å; A664-L666 PolarHBondContact O-N 3.27Å |
| 667 | F | 94.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 144 | 175.9 | -62.4 | -92.8 | 0 | 0 | 0 | 110.3 | W607 K614 I615 F617 L620 L635 V639 S650 Y651 F661 T665 | W607-F667 HydrophobicContact CH2-CB 4.02Å; W607-F667 HydrophobicContact CZ2-CB 3.82Å; W607-F667 WeakPolarHBondContact CZ2-O 3.3Å; K614-F667 CarbonylContact C-O 3.59Å; K614-F667 WeakPolarHBondContact CA-O 3.18Å; I615-F667 PolarHBondContact N-O 3.43Å; I615-F667 PolarHBondContact O-N 3.42Å; F617-F667 HydrophobicContact CB-CE2 4.06Å; F617-F667 HydrophobicContact CD2-CE2 4.15Å; L620-F667 HydrophobicContact CD1-CB 4Å; L620-F667 HydrophobicContact CD1-CD2 3.81Å; L620-F667 HydrophobicContact CD1-CG 4.1Å; L635-F667 HydrophobicContact CB-CE1 4.16Å; L635-F667 HydrophobicContact CB-CZ 4.42Å; L635-F667 HydrophobicContact CD1-CD2 4.41Å; L635-F667 HydrophobicContact CD1-CE1 4.25Å; L635-F667 HydrophobicContact CD1-CE2 3.95Å; L635-F667 HydrophobicContact CD1-CZ 3.87Å; L635-F667 HydrophobicContact CD2-CD1 4.09Å; L635-F667 HydrophobicContact CD2-CE1 4.27Å; L635-F667 HydrophobicContact CD2-CG 4.3Å; L635-F667 HydrophobicContact CG-CE1 4.48Å; V639-F667 HydrophobicContact CG1-CD1 3.96Å; V639-F667 HydrophobicContact CG1-CE1 4.08Å; S650-F667 WeakPolarHBondContact O-CA 3.44Å; Y651-F667 HydrophobicContact CG-CD1 4.44Å; Y651-F667 HydrophobicContact CG-CE1 4.2Å; F661-F667 HydrophobicContact CD1-CE1 4.36Å; F661-F667 AromaticContact CD1-CZ 3.76Å; F661-F667 HydrophobicContact CD1-CZ 3.76Å; F661-F667 HydrophobicContact CD2-CZ 4.24Å; F661-F667 AromaticContact CE1-CE1 3.88Å; F661-F667 HydrophobicContact CE1-CE1 3.88Å; F661-F667 AromaticContact CE1-CZ 3.75Å; F661-F667 HydrophobicContact CE1-CZ 3.75Å; F661-F667 HydrophobicContact CE2-CE1 4.45Å; F661-F667 HydrophobicContact CE2-CZ 4.24Å; F661-F667 HydrophobicContact CG-CZ 4Å; F661-F667 AromaticContact CZ-CE1 3.92Å; F661-F667 HydrophobicContact CZ-CE1 3.92Å; F661-F667 AromaticContact CZ-CZ 3.98Å; F661-F667 HydrophobicContact CZ-CZ 3.98Å; T665-F667 HydrophobicContact CG2-CD2 4.41Å; T665-F667 HydrophobicContact CG2-CE1 4.48Å; T665-F667 HydrophobicContact CG2-CE2 3.7Å; T665-F667 HydrophobicContact CG2-CZ 3.75Å; T665-F667 WeakPolarHBondContact O-CD2 3.19Å |
| 668 | Y | 93.3 | Very high | 87 | Confident | 73 Ų | 73 | 60 Ų | 60 | 29% | 0.286 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 156.4 | 177.7 | 55.4 | -83.2 | 0 | 0 | 0 | 112.1 | K614 L649 S650 | K614-Y668 HydrophobicContact CD-CD1 4.12Å; K614-Y668 HydrophobicContact CG-CD1 3.92Å; K614-Y668 HydrophobicContact CG-CG 4.14Å; L649-Y668 WeakPolarHBondContact CA-O 3.48Å; S650-Y668 PolarHBondContact N-O 2.7Å; S650-Y668 PolarHBondContact O-N 2.87Å |
| 669 | V | 93.2 | Very high | 87 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 9% | 0.085 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.8 | 180 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | F585 W607 L649 Q671 | F585-V669 HydrophobicContact CE2-CG1 3.57Å; F585-V669 HydrophobicContact CZ-CG1 3.42Å; F585-V669 VanDerWaalsContact CZ-CG1 3.42Å; W607-V669 HydrophobicContact CB-CG2 3.57Å; W607-V669 HydrophobicContact CD2-CG2 3.91Å; W607-V669 HydrophobicContact CE3-CG2 4.47Å; W607-V669 HydrophobicContact CG-CG2 3.5Å; W607-V669 VanDerWaalsContact CG-CG2 3.5Å; L649-V669 HydrophobicContact CD2-CG2 4.12Å; V669-Q671 PolarHBondContact O-N 3.21Å; V669-Q671 VanDerWaalsContact O-N 3.14Å |
| 670 | N | 91.1 | Very high | 87 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | trans | -77.8 | 99.2 | 176.4 | -174.8 | 0.9 | 0 | 0 | 0 | 110.8 | Q647 V648 E672 F673 | Q647-N670 VanDerWaalsContact O-CB 3.29Å; Q647-N670 WeakPolarHBondContact O-CB 3.3Å; Q647-N670 PolarHBondContact O-ND2 3.45Å; V648-N670 VanDerWaalsContact O-CB 3.3Å; V648-N670 WeakPolarHBondContact O-CB 3.15Å; V648-N670 PolarHBondContact O-N 2.74Å; N670-E672 PolarHBondContact O-N 3.3Å; N670-E672 PolarHBondContact OD1-N 3.21Å; N670-E672 VanDerWaalsContact OD1-N 3.08Å; N670-F673 HydrophobicContact CB-CB 4.18Å; N670-F673 WeakPolarHBondContact O-CB 3.45Å; N670-F673 PolarHBondContact O-N 3.44Å; N670-F673 VanDerWaalsContact O-N 3.08Å; N670-F673 PolarHBondContact OD1-N 3.48Å | ||
| 671 | Q | 88.1 | Confident | 87.1 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.1 | 179.5 | -63.7 | -59.1 | -23.3 | 0 | 0 | 113.2 | N587 E588 P611 V669 F673 | N587-Q671 PolarHBondContact ND2-O 3.23Å; E588-Q671 HydrophobicContact CG-CB 4.14Å; P611-Q671 PolarHBondContact O-NE2 3.27Å; V669-Q671 PolarHBondContact O-N 3.21Å; V669-Q671 VanDerWaalsContact O-N 3.14Å; Q671-F673 VanDerWaalsContact C-N 3.33Å |
| 672 | E | 86.9 | Confident | 87 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 60% | 0.603 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 4.8 | 175.6 | -58.5 | -169.3 | 176.4 | 0 | 0 | 114 | K646 N670 S674 | K646-E672 WeakPolarHBondContact CD-O 3.43Å; K646-E672 PolarHBondContact NZ-O 2.93Å; K646-E672 IonicContact NZ-OE2 3.29Å; N670-E672 PolarHBondContact O-N 3.3Å; N670-E672 PolarHBondContact OD1-N 3.21Å; N670-E672 VanDerWaalsContact OD1-N 3.08Å; E672-S674 PolarHBondContact O-N 3.17Å |
| 673 | F | 87.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 69 Ų | 69 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | trans | -54.8 | 132.1 | -179.9 | 171.8 | -100.5 | 0 | 0 | 0 | 111 | F585 N587 Y592 L594 L644 K646 Q647 V648 N670 Q671 I687 | F585-F673 AromaticContact CD1-CD1 3.93Å; F585-F673 HydrophobicContact CD1-CD1 3.93Å; F585-F673 HydrophobicContact CD1-CE1 4.28Å; F585-F673 HydrophobicContact CE1-CB 4.16Å; F585-F673 AromaticContact CE1-CD1 3.66Å; F585-F673 HydrophobicContact CE1-CD1 3.66Å; F585-F673 HydrophobicContact CE1-CE1 4.4Å; F585-F673 HydrophobicContact CE1-CG 4.17Å; N587-F673 WeakPolarHBondContact ND2-CB 3.28Å; N587-F673 PolarHBondContact ND2-N 3.48Å; N587-F673 PolarHBondContact ND2-O 3.43Å; Y592-F673 HydrophobicContact CD1-CE1 4.42Å; Y592-F673 AromaticContact CD2-CD1 3.8Å; Y592-F673 HydrophobicContact CD2-CD1 3.8Å; Y592-F673 AromaticContact CD2-CE1 3.81Å; Y592-F673 HydrophobicContact CD2-CE1 3.81Å; Y592-F673 AromaticContact CE2-CD1 3.94Å; Y592-F673 HydrophobicContact CE2-CD1 3.94Å; Y592-F673 HydrophobicContact CE2-CE1 4.27Å; Y592-F673 HydrophobicContact CG-CD1 4.35Å; Y592-F673 AromaticContact CG-CE1 3.89Å; Y592-F673 HydrophobicContact CG-CE1 3.89Å; Y592-F673 PolarHBondContact OH-O 2.97Å; L594-F673 HydrophobicContact CD2-CE1 4.42Å; L594-F673 HydrophobicContact CD2-CZ 4.45Å; L644-F673 HydrophobicContact CD1-CE2 4.3Å; K646-F673 HydrophobicContact CB-CD2 4.33Å; K646-F673 WeakPolarHBondContact O-CD2 3.28Å; K646-F673 WeakPolarHBondContact O-CE2 3.39Å; Q647-F673 WeakPolarHBondContact O-CD2 3.29Å; V648-F673 HydrophobicContact CG2-CD2 4.31Å; V648-F673 HydrophobicContact CG2-CE2 3.81Å; V648-F673 HydrophobicContact CG2-CZ 3.98Å; N670-F673 HydrophobicContact CB-CB 4.18Å; N670-F673 WeakPolarHBondContact O-CB 3.45Å; N670-F673 PolarHBondContact O-N 3.44Å; N670-F673 VanDerWaalsContact O-N 3.08Å; N670-F673 PolarHBondContact OD1-N 3.48Å; Q671-F673 VanDerWaalsContact C-N 3.33Å; F673-I687 HydrophobicContact CE1-CD1 3.99Å; F673-I687 HydrophobicContact CZ-CD1 3.46Å; F673-I687 VanDerWaalsContact CZ-CD1 3.46Å | ||
| 674 | S | 85.9 | Confident | 86.8 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 4% | 0.035 | 37% | 0.37 | C | S | . | . | trans | -157 | 143.1 | 178.2 | 74.2 | 0 | 0 | 0 | 0 | 112.6 | Y592 E672 I676 | Y592-S674 VanDerWaalsContact OH-CA 3.28Å; Y592-S674 WeakPolarHBondContact OH-CA 3.27Å; Y592-S674 WeakPolarHBondContact OH-CB 3.35Å; E672-S674 PolarHBondContact O-N 3.17Å; S674-I676 PolarHBondContact O-N 3.49Å | ||
| 675 | L | 83.1 | Confident | 86.7 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.6 | 174 | -172.9 | 139.3 | 0 | 0 | 0 | 109.9 | Y592 K677 Q682 I687 | Y592-L675 HydrophobicContact CD1-CB 4.3Å; Y592-L675 HydrophobicContact CE1-CB 4Å; L675-K677 HydrophobicContact CD2-CB 4.02Å; L675-Q682 HydrophobicContact CB-CB 4.3Å; L675-Q682 HydrophobicContact CD2-CB 4.03Å; L675-Q682 HydrophobicContact CD2-CG 3.63Å; L675-Q682 WeakPolarHBondContact O-CB 3.25Å; L675-Q682 PolarHBondContact O-N 2.79Å; L675-I687 HydrophobicContact CB-CD1 4.44Å; L675-I687 HydrophobicContact CD1-CD1 3.8Å; L675-I687 HydrophobicContact CD1-CG1 3.6Å |
| 676 | I | 83.3 | Confident | 86.5 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 30% | 0.297 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 111.4 | 179.1 | -56.9 | 178.8 | 0 | 0 | 0 | 108.3 | K645 S674 K680 | K645-I676 HydrophobicContact CB-CD1 4.01Å; K645-I676 HydrophobicContact CD-CB 4.27Å; K645-I676 HydrophobicContact CD-CD1 4Å; K645-I676 HydrophobicContact CD-CG2 4.26Å; S674-I676 PolarHBondContact O-N 3.49Å; I676-K680 WeakPolarHBondContact CA-O 3.46Å |
| 677 | K | 79.7 | Confident | 86.3 | Confident | 136 Ų | 136 | 75.3 Ų | 75.3 | 59% | 0.591 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.8 | 174.1 | -166.2 | 177 | -177.3 | -178.6 | 0 | 108.7 | L675 S679 K680 Q682 | L675-K677 HydrophobicContact CD2-CB 4.02Å; K677-S679 PolarHBondContact O-N 2.91Å; K677-K680 PolarHBondContact N-O 2.96Å; K677-K680 PolarHBondContact O-N 3.28Å; K677-Q682 HydrophobicContact CB-CG 4.18Å |
| 678 | N | 77.3 | Confident | 85.9 | Confident | 148 Ų | 148 | 78.9 Ų | 78.9 | 79% | 0.791 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 44.2 | -175.6 | -59.7 | -9.5 | 0 | 0 | 0 | 113.1 | K680 | N678-K680 PolarHBondContact O-N 3.04Å; N678-K680 VanDerWaalsContact O-N 3.08Å |
| 679 | S | 79.9 | Confident | 85.5 | Confident | 106 Ų | 106 | 75.4 Ų | 75.4 | 74% | 0.741 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 11.9 | -176.8 | -55.7 | 0 | 0 | 0 | 0 | 115.7 | K677 | K677-S679 PolarHBondContact O-N 2.91Š|
| 680 | K | 83.8 | Confident | 84.8 | Confident | 150 Ų | 150 | 75.4 Ų | 75.4 | 65% | 0.652 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.6 | 173.9 | -65.5 | -175.3 | -179.5 | -177.8 | 0 | 111.4 | I676 K677 N678 Q682 | I676-K680 WeakPolarHBondContact CA-O 3.46Å; K677-K680 PolarHBondContact N-O 2.96Å; K677-K680 PolarHBondContact O-N 3.28Å; N678-K680 PolarHBondContact O-N 3.04Å; N678-K680 VanDerWaalsContact O-N 3.08Å; K680-Q682 PolarHBondContact O-N 3.25Å |
| 681 | V | 85.1 | Confident | 83.8 | Confident | 82 Ų | 82 | 76.3 Ų | 76.3 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 122.1 | 174.3 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | V589 | V589-V681 HydrophobicContact CG1-CG1 3.9Å |
| 682 | Q | 85.4 | Confident | 82.8 | Confident | 72 Ų | 72 | 84.6 Ų | 84.6 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 133.6 | 174.5 | -57.2 | -58.3 | -51.3 | 0 | 0 | 109.2 | Y592 L675 K677 K680 R684 | Y592-Q682 VanDerWaalsContact CE1-O 3.27Å; Y592-Q682 WeakPolarHBondContact CE1-O 3.32Å; Y592-Q682 PolarHBondContact OH-O 2.92Å; L675-Q682 HydrophobicContact CB-CB 4.3Å; L675-Q682 HydrophobicContact CD2-CB 4.03Å; L675-Q682 HydrophobicContact CD2-CG 3.63Å; L675-Q682 WeakPolarHBondContact O-CB 3.25Å; L675-Q682 PolarHBondContact O-N 2.79Å; K677-Q682 HydrophobicContact CB-CG 4.18Å; K680-Q682 PolarHBondContact O-N 3.25Å; Q682-R684 VanDerWaalsContact C-N 3.34Å |
| 683 | K | 85.8 | Confident | 81.8 | Confident | 154 Ų | 154 | 79.4 Ų | 79.4 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -83.6 | -11.1 | 176.5 | -62.8 | -173.1 | 177.4 | -174.6 | 0 | 113.5 | G590 Q591 | G590-K683 VanDerWaalsContact CA-O 3.29Å; G590-K683 WeakPolarHBondContact CA-O 3.45Å; Q591-K683 PolarHBondContact N-O 2.73Å |
| 684 | R | 87 | Confident | 80.9 | Confident | 193 Ų | 193 | 79.8 Ų | 79.8 | 73% | 0.728 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152 | 176.4 | -64.5 | -174.4 | 179.1 | 179.6 | -1 | 111.1 | Q591 Q682 | Q591-R684 VanDerWaalsContact O-CA 3.25Å; Q591-R684 WeakPolarHBondContact O-CA 2.96Å; Q682-R684 VanDerWaalsContact C-N 3.34Å |
| 685 | G | 86.8 | Confident | 79.9 | Confident | 26 Ų | 26 | 81.4 Ų | 81.4 | 27% | 0.268 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.1 | 164.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y592 D593 | Y592-G685 CarbonylContact C-O 3.5Å; Y592-G685 VanDerWaalsContact CA-O 3.32Å; Y592-G685 WeakPolarHBondContact CA-O 3.47Å; D593-G685 PolarHBondContact N-O 3.37Å |
| 686 | K | 87.8 | Confident | 79 | Confident | 125 Ų | 125 | 82.6 Ų | 82.6 | 54% | 0.543 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.5 | 175.3 | -174 | 177 | 179.4 | -179.7 | 0 | 110.6 | D593 | D593-K686 HydrophobicContact CB-CB 4.38Å; D593-K686 HydrophobicContact CB-CG 4.27Å; D593-K686 CarbonylContact O-C 3.54Å; D593-K686 VanDerWaalsContact O-CA 3.28Å; D593-K686 WeakPolarHBondContact O-CA 3.39Å |
| 687 | I | 87.6 | Confident | 78.3 | Confident | 12 Ų | 12 | 81.7 Ų | 81.7 | 6% | 0.062 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 131 | -176.7 | -57.3 | 171.3 | 0 | 0 | 0 | 109.2 | D593 L594 E595 L644 F673 L675 L689 | D593-I687 PolarHBondContact O-N 2.88Å; L594-I687 HydrophobicContact CD2-CB 4Å; L594-I687 HydrophobicContact CD2-CD1 4.13Å; L594-I687 HydrophobicContact CD2-CG1 4.48Å; E595-I687 PolarHBondContact N-O 3.18Å; L644-I687 HydrophobicContact CD1-CG2 4.24Å; L644-I687 HydrophobicContact CD2-CD1 4.34Å; L644-I687 HydrophobicContact CD2-CG2 4.21Å; F673-I687 HydrophobicContact CE1-CD1 3.99Å; F673-I687 HydrophobicContact CZ-CD1 3.46Å; F673-I687 VanDerWaalsContact CZ-CD1 3.46Å; L675-I687 HydrophobicContact CB-CD1 4.44Å; L675-I687 HydrophobicContact CD1-CD1 3.8Å; L675-I687 HydrophobicContact CD1-CG1 3.6Å; I687-L689 HydrophobicContact CG2-CD2 3.83Å; I687-L689 HydrophobicContact CG2-CG 4.04Å |
| 688 | N | 86.4 | Confident | 77.8 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.3 | 171.5 | -175.1 | -36.4 | 0 | 0 | 0 | 110.3 | E595 F641 I690 | E595-N688 HydrophobicContact CB-CB 4.37Å; E595-N688 PolarHBondContact OE1-ND2 3.21Å; E595-N688 WeakPolarHBondContact OE2-CB 3.3Å; E595-N688 PolarHBondContact OE2-ND2 3Å; F641-N688 WeakPolarHBondContact CZ-O 3.43Å; N688-I690 WeakPolarHBondContact OD1-CB 3.28Å; N688-I690 PolarHBondContact OD1-N 3.41Å |
| 689 | L | 83.7 | Confident | 77.5 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | trans | -105 | -1.4 | -179.8 | -64.9 | 176.4 | 0 | 0 | 0 | 113 | L594 E595 V596 Q600 L638 F641 L644 V648 I687 G691 | L594-L689 HydrophobicContact CB-CD1 4.16Å; L594-L689 HydrophobicContact CD1-CD1 3.94Å; L594-L689 HydrophobicContact CD2-CD1 4.04Å; L594-L689 HydrophobicContact CG-CD1 4.27Å; E595-L689 PolarHBondContact O-N 2.92Å; V596-L689 HydrophobicContact CG1-CB 4.1Å; V596-L689 HydrophobicContact CG1-CD1 3.99Å; Q600-L689 PolarHBondContact NE2-O 2.98Å; L638-L689 HydrophobicContact CD2-CD1 4.27Å; F641-L689 HydrophobicContact CD1-CD2 4.37Å; F641-L689 HydrophobicContact CD2-CD2 4.13Å; F641-L689 HydrophobicContact CE2-CD2 4.38Å; F641-L689 HydrophobicContact CG-CD2 4.12Å; L644-L689 HydrophobicContact CD1-CD2 3.52Å; V648-L689 HydrophobicContact CG2-CD1 3.73Å; I687-L689 HydrophobicContact CG2-CD2 3.83Å; I687-L689 HydrophobicContact CG2-CG 4.04Å; L689-G691 VanDerWaalsContact C-N 3.28Å; L689-G691 PolarHBondContact O-N 2.69Å | ||
| 690 | I | 79.6 | Confident | 77 | Confident | 14 Ų | 14 | 74.9 Ų | 74.9 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | trans | -60.9 | -42.8 | 176.5 | -61.2 | 174.5 | 0 | 0 | 0 | 109.7 | N580 E595 T597 N688 R692 L693 Q694 | N580-I690 HydrophobicContact CB-CD1 3.66Å; E595-I690 HydrophobicContact CG-CD1 3.73Å; E595-I690 HydrophobicContact CG-CG1 4.33Å; T597-I690 HydrophobicContact CG2-CB 4.31Å; T597-I690 HydrophobicContact CG2-CG1 4.16Å; T597-I690 HydrophobicContact CG2-CG2 3.92Å; N688-I690 WeakPolarHBondContact OD1-CB 3.28Å; N688-I690 PolarHBondContact OD1-N 3.41Å; I690-R692 PolarHBondContact O-N 3.04Å; I690-R692 VanDerWaalsContact O-N 3.17Å; I690-L693 VanDerWaalsContact O-CB 3.29Å; I690-L693 WeakPolarHBondContact O-CB 3.34Å; I690-L693 WeakPolarHBondContact O-CG 3.45Å; I690-L693 PolarHBondContact O-N 3.25Å; I690-Q694 HydrophobicContact CG2-CB 4.31Å; I690-Q694 HydrophobicContact CG2-CG 4.1Å | ||
| 691 | G | 70.3 | Confident | 76.6 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -119.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L689 | L689-G691 VanDerWaalsContact C-N 3.28Å; L689-G691 PolarHBondContact O-N 2.69Å |
| 692 | R | 66.5 | Low | 76.1 | Confident | 209 Ų | 209 | 71.4 Ų | 71.4 | 79% | 0.789 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 5 | 178.2 | -57.4 | -167.9 | 174.4 | 175.9 | -2.9 | 113.6 | I690 Q694 L695 | I690-R692 PolarHBondContact O-N 3.04Å; I690-R692 VanDerWaalsContact O-N 3.17Å; R692-Q694 VanDerWaalsContact C-N 3.27Å; R692-Q694 PolarHBondContact O-N 3.18Å; R692-L695 HydrophobicContact CB-CB 4.42Å; R692-L695 HydrophobicContact CB-CD1 3.9Å; R692-L695 HydrophobicContact CB-CG 4.39Å; R692-L695 HydrophobicContact CG-CD1 3.81Å; R692-L695 WeakPolarHBondContact O-CB 3.36Å; R692-L695 PolarHBondContact O-N 3.1Å |
| 693 | L | 66.2 | Low | 75.7 | Confident | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29.8 | -172.1 | -65.3 | 167.9 | 0 | 0 | 0 | 113.2 | T597 Q600 R633 S637 I690 | T597-L693 HydrophobicContact CG2-CB 4.25Å; T597-L693 HydrophobicContact CG2-CD1 4.37Å; Q600-L693 HydrophobicContact CG-CD1 4.14Å; R633-L693 HydrophobicContact CG-CD2 3.75Å; R633-L693 PolarHBondContact NH1-O 2.9Å; R633-L693 PolarHBondContact NH2-O 3.48Å; S637-L693 VanDerWaalsContact CB-CD1 3.48Å; S637-L693 VanDerWaalsContact OG-CD1 3.28Å; S637-L693 WeakPolarHBondContact OG-CD1 3.37Å; I690-L693 VanDerWaalsContact O-CB 3.29Å; I690-L693 WeakPolarHBondContact O-CB 3.34Å; I690-L693 WeakPolarHBondContact O-CG 3.45Å; I690-L693 PolarHBondContact O-N 3.25Å |
| 694 | Q | 67 | Low | 75.4 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 7.7 | 175.3 | -64.5 | 178.8 | -43.9 | 0 | 0 | 112.5 | L465 L577 S579 T597 I690 R692 | L465-Q694 HydrophobicContact CD1-CB 3.91Å; L577-Q694 PolarHBondContact O-NE2 2.96Å; S579-Q694 PolarHBondContact O-NE2 3.25Å; T597-Q694 HydrophobicContact CG2-CG 3.75Å; I690-Q694 HydrophobicContact CG2-CB 4.31Å; I690-Q694 HydrophobicContact CG2-CG 4.1Å; R692-Q694 VanDerWaalsContact C-N 3.27Å; R692-Q694 PolarHBondContact O-N 3.18Å |
| 695 | L | 66.6 | Low | 75.1 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -87.1 | 164.1 | 171.5 | -61.7 | -179.4 | 0 | 0 | 0 | 111.1 | R692 T697 | R692-L695 HydrophobicContact CB-CB 4.42Å; R692-L695 HydrophobicContact CB-CD1 3.9Å; R692-L695 HydrophobicContact CB-CG 4.39Å; R692-L695 HydrophobicContact CG-CD1 3.81Å; R692-L695 WeakPolarHBondContact O-CB 3.36Å; R692-L695 PolarHBondContact O-N 3.1Å; L695-T697 PolarHBondContact O-N 2.99Å |
| 696 | T | 64 | Low | 74.8 | Confident | 63 Ų | 63 | 57.4 Ų | 57.4 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 120.4 | 176.9 | 21.1 | 0 | 0 | 0 | 0 | 111.8 | R461 | R461-T696 VanDerWaalsContact CZ-CG2 3.48Š|
| 697 | T | 69.1 | Low | 74.6 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 164.3 | 166.4 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | R633 L695 R699 M700 R701 | R633-T697 VanDerWaalsContact NH1-CG2 3.25Å; L695-T697 PolarHBondContact O-N 2.99Å; T697-R699 PolarHBondContact O-N 2.93Å; T697-M700 PolarHBondContact O-N 3.05Å; T697-M700 WeakPolarHBondContact OG1-CG 3.33Å; T697-M700 PolarHBondContact OG1-N 3.46Å; T697-M700 VanDerWaalsContact OG1-N 3.17Å; T697-R701 PolarHBondContact O-N 3.45Å |
| 698 | E | 68 | Low | 74.5 | Confident | 97 Ų | 97 | 52 Ų | 52 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.7 | -42.9 | 172.8 | -173.7 | 53.2 | -131.3 | 0 | 0 | 111.7 | M700 R701 E702 | E698-M700 PolarHBondContact O-N 3.32Å; E698-R701 VanDerWaalsContact CD-CZ 3.44Å; E698-R701 WeakPolarHBondContact O-CA 3.44Å; E698-R701 VanDerWaalsContact O-CB 3.28Å; E698-R701 WeakPolarHBondContact O-CB 3.01Å; E698-R701 PolarHBondContact O-N 3.16Å; E698-R701 VanDerWaalsContact O-N 3.1Å; E698-R701 IonicContact OE1-CZ 3.14Å; E698-R701 IonicContact OE1-NE 3.13Å; E698-R701 PolarHBondContact OE1-NE 3.11Å; E698-R701 IonicContact OE1-NH2 3.82Å; E698-R701 PolarHBondContact OE1-NH2 3.38Å; E698-R701 IonicContact OE2-CZ 3.29Å; E698-R701 IonicContact OE2-NE 3.94Å; E698-R701 PolarHBondContact OE2-NE 2.9Å; E698-R701 IonicContact OE2-NH1 3.54Å; E698-R701 IonicContact OE2-NH2 3.67Å; E698-R701 PolarHBondContact OE2-NH2 3.37Å; E698-E702 PolarHBondContact O-N 3.23Å |
| 699 | R | 70.4 | Confident | 74.4 | Confident | 112 Ų | 112 | 49 Ų | 49 | 42% | 0.423 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 175.8 | -175.6 | -177.1 | 174.4 | 177.7 | 8.7 | 112.5 | E542 T697 R701 E702 E703 | E542-R699 IonicContact OE1-CZ 3.04Å; E542-R699 VanDerWaalsContact OE1-CZ 3.32Å; E542-R699 IonicContact OE1-NH1 3Å; E542-R699 PolarHBondContact OE1-NH1 3.34Å; E542-R699 VanDerWaalsContact OE1-NH1 3.14Å; E542-R699 IonicContact OE1-NH2 3.47Å; E542-R699 PolarHBondContact OE1-NH2 3.33Å; E542-R699 IonicContact OE2-CZ 2.7Å; E542-R699 IonicContact OE2-NE 2.71Å; E542-R699 IonicContact OE2-NH1 3.43Å; E542-R699 PolarHBondContact OE2-NH1 2.91Å; E542-R699 VanDerWaalsContact OE2-NH1 3.13Å; E542-R699 IonicContact OE2-NH2 3.57Å; E542-R699 PolarHBondContact OE2-NH2 3.41Å; T697-R699 PolarHBondContact O-N 2.93Å; R699-R701 PolarHBondContact O-N 3.01Å; R699-E702 PolarHBondContact O-N 3.14Å; R699-E703 IonicContact CZ-OE1 2.9Å; R699-E703 IonicContact NE-OE1 3.76Å; R699-E703 PolarHBondContact NE-OE1 3.2Å; R699-E703 IonicContact NH2-OE1 3.8Å; R699-E703 WeakPolarHBondContact O-CG 3.22Å; R699-E703 PolarHBondContact O-N 3.11Å |
| 700 | M | 71.2 | Confident | 74.5 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 175.9 | -69.4 | 178.9 | 92.7 | 0 | 0 | 111.1 | M578 T697 E698 E703 E704 | M578-M700 HydrophobicContact CE-CE 4.18Å; T697-M700 PolarHBondContact O-N 3.05Å; T697-M700 WeakPolarHBondContact OG1-CG 3.33Å; T697-M700 PolarHBondContact OG1-N 3.46Å; T697-M700 VanDerWaalsContact OG1-N 3.17Å; E698-M700 PolarHBondContact O-N 3.32Å; M700-E703 PolarHBondContact O-N 3.03Å; M700-E704 VanDerWaalsContact O-CG 3.29Å; M700-E704 WeakPolarHBondContact O-CG 3.41Å; M700-E704 PolarHBondContact O-N 3.25Å |
| 701 | R | 73.9 | Confident | 74.8 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 29% | 0.291 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.4 | -169.2 | -179.5 | 68.4 | 177.4 | 7.8 | 111.8 | Y454 T697 E698 R699 E704 N705 | Y454-R701 HydrophobicContact CE1-CG 4.12Å; Y454-R701 WeakPolarHBondContact OH-CG 3.29Å; T697-R701 PolarHBondContact O-N 3.45Å; E698-R701 VanDerWaalsContact CD-CZ 3.44Å; E698-R701 WeakPolarHBondContact O-CA 3.44Å; E698-R701 VanDerWaalsContact O-CB 3.28Å; E698-R701 WeakPolarHBondContact O-CB 3.01Å; E698-R701 PolarHBondContact O-N 3.16Å; E698-R701 VanDerWaalsContact O-N 3.1Å; E698-R701 IonicContact OE1-CZ 3.14Å; E698-R701 IonicContact OE1-NE 3.13Å; E698-R701 PolarHBondContact OE1-NE 3.11Å; E698-R701 IonicContact OE1-NH2 3.82Å; E698-R701 PolarHBondContact OE1-NH2 3.38Å; E698-R701 IonicContact OE2-CZ 3.29Å; E698-R701 IonicContact OE2-NE 3.94Å; E698-R701 PolarHBondContact OE2-NE 2.9Å; E698-R701 IonicContact OE2-NH1 3.54Å; E698-R701 IonicContact OE2-NH2 3.67Å; E698-R701 PolarHBondContact OE2-NH2 3.37Å; R699-R701 PolarHBondContact O-N 3.01Å; R701-E704 PolarHBondContact O-N 3.39Å; R701-N705 WeakPolarHBondContact O-CB 3.44Å; R701-N705 VanDerWaalsContact O-CG 3.26Å; R701-N705 PolarHBondContact O-N 3.43Å; R701-N705 PolarHBondContact O-ND2 2.88Å |
| 702 | E | 75.4 | Confident | 75.8 | Confident | 83 Ų | 83 | 55 Ų | 55 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 174.6 | -68.9 | 178.5 | -179.7 | 0 | 0 | 111.9 | E698 R699 E704 N705 E706 | E698-E702 PolarHBondContact O-N 3.23Å; R699-E702 PolarHBondContact O-N 3.14Å; E702-E704 PolarHBondContact O-N 3.23Å; E702-N705 WeakPolarHBondContact O-CB 3.42Å; E702-N705 PolarHBondContact O-N 3.11Å; E702-E706 WeakPolarHBondContact O-CG 3.4Å; E702-E706 PolarHBondContact O-N 3.12Å |
| 703 | E | 77.3 | Confident | 76.9 | Confident | 64 Ų | 64 | 47 Ų | 47 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 177.4 | -71.3 | 171.3 | -171 | 0 | 0 | 112.3 | R699 M700 N705 E706 G707 | R699-E703 IonicContact CZ-OE1 2.9Å; R699-E703 IonicContact NE-OE1 3.76Å; R699-E703 PolarHBondContact NE-OE1 3.2Å; R699-E703 IonicContact NH2-OE1 3.8Å; R699-E703 WeakPolarHBondContact O-CG 3.22Å; R699-E703 PolarHBondContact O-N 3.11Å; M700-E703 PolarHBondContact O-N 3.03Å; E703-N705 VanDerWaalsContact C-N 3.33Å; E703-E706 PolarHBondContact O-N 3.31Å; E703-G707 PolarHBondContact O-N 2.94Å |
| 704 | E | 79 | Confident | 78 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 173.7 | -68 | -56 | 160.8 | 0 | 0 | 111.2 | R453 M700 R701 E702 G707 I708 | R453-E704 WeakPolarHBondContact CG-OE2 3.45Å; R453-E704 IonicContact CZ-OE2 2.59Å; R453-E704 IonicContact NE-OE2 3.41Å; R453-E704 PolarHBondContact NE-OE2 3.2Å; R453-E704 IonicContact NH2-OE1 3.05Å; R453-E704 IonicContact NH2-OE2 2.99Å; R453-E704 PolarHBondContact NH2-OE2 3.2Å; M700-E704 VanDerWaalsContact O-CG 3.29Å; M700-E704 WeakPolarHBondContact O-CG 3.41Å; M700-E704 PolarHBondContact O-N 3.25Å; R701-E704 PolarHBondContact O-N 3.39Å; E702-E704 PolarHBondContact O-N 3.23Å; E704-G707 PolarHBondContact O-N 2.75Å; E704-I708 VanDerWaalsContact O-CG1 3.3Å; E704-I708 WeakPolarHBondContact O-CG1 3.41Å; E704-I708 PolarHBondContact O-N 2.8Å |
| 705 | N | 81 | Confident | 79.2 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.043 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.6 | -73.4 | -16.2 | 0 | 0 | 0 | 112.2 | L388 Y454 R701 E702 E703 G707 I708 V709 | L388-N705 HydrophobicContact CD2-CB 3.59Å; Y454-N705 PolarHBondContact OH-OD1 3.26Å; R701-N705 WeakPolarHBondContact O-CB 3.44Å; R701-N705 VanDerWaalsContact O-CG 3.26Å; R701-N705 PolarHBondContact O-N 3.43Å; R701-N705 PolarHBondContact O-ND2 2.88Å; E702-N705 WeakPolarHBondContact O-CB 3.42Å; E702-N705 PolarHBondContact O-N 3.11Å; E703-N705 VanDerWaalsContact C-N 3.33Å; N705-G707 VanDerWaalsContact C-N 3.32Å; N705-G707 PolarHBondContact O-N 2.88Å; N705-I708 PolarHBondContact O-N 2.72Å; N705-V709 WeakPolarHBondContact O-CG2 3.49Å; N705-V709 PolarHBondContact O-N 3.06Å |
| 706 | E | 80.8 | Confident | 80.4 | Confident | 54 Ų | 54 | 51 Ų | 51 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 174.7 | -72.2 | -176.4 | 178.6 | 0 | 0 | 111.2 | P389 K391 E702 E703 I708 V709 Q710 | P389-E706 HydrophobicContact CG-CG 4.43Å; K391-E706 IonicContact NZ-OE1 3.47Å; E702-E706 WeakPolarHBondContact O-CG 3.4Å; E702-E706 PolarHBondContact O-N 3.12Å; E703-E706 PolarHBondContact O-N 3.31Å; E706-I708 VanDerWaalsContact C-N 3.34Å; E706-I708 PolarHBondContact O-N 2.87Å; E706-V709 PolarHBondContact O-N 2.86Å; E706-Q710 WeakPolarHBondContact O-CG 3.16Å; E706-Q710 PolarHBondContact O-N 2.74Å |
| 707 | G | 82.7 | Confident | 81.8 | Confident | 19 Ų | 19 | 49 Ų | 49 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E703 E704 N705 L711 | E703-G707 PolarHBondContact O-N 2.94Å; E704-G707 PolarHBondContact O-N 2.75Å; N705-G707 VanDerWaalsContact C-N 3.32Å; N705-G707 PolarHBondContact O-N 2.88Å; G707-L711 WeakPolarHBondContact O-CB 3.45Å; G707-L711 PolarHBondContact O-N 2.86Å |
| 708 | I | 85.3 | Confident | 82.9 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -49.2 | 173.8 | -68.8 | 159.9 | 0 | 0 | 0 | 110.1 | L388 V450 R453 Y454 E704 N705 E706 Q710 L711 R712 | L388-I708 HydrophobicContact CD1-CG2 4.42Å; V450-I708 HydrophobicContact CB-CD1 4.42Å; V450-I708 HydrophobicContact CG1-CD1 4.3Å; V450-I708 HydrophobicContact CG2-CD1 4.31Å; V450-I708 HydrophobicContact CG2-CG2 4.34Å; R453-I708 HydrophobicContact CB-CD1 3.94Å; R453-I708 HydrophobicContact CB-CG1 3.81Å; R453-I708 HydrophobicContact CG-CD1 4.05Å; R453-I708 HydrophobicContact CG-CG1 3.74Å; Y454-I708 HydrophobicContact CE2-CD1 4.17Å; E704-I708 VanDerWaalsContact O-CG1 3.3Å; E704-I708 WeakPolarHBondContact O-CG1 3.41Å; E704-I708 PolarHBondContact O-N 2.8Å; N705-I708 PolarHBondContact O-N 2.72Å; E706-I708 VanDerWaalsContact C-N 3.34Å; E706-I708 PolarHBondContact O-N 2.87Å; I708-Q710 PolarHBondContact O-N 3.49Å; I708-L711 PolarHBondContact O-N 2.7Å; I708-R712 HydrophobicContact CG2-CG 4.44Å; I708-R712 WeakPolarHBondContact O-CG 3.41Å; I708-R712 PolarHBondContact O-N 3.03Å |
| 709 | V | 84.9 | Confident | 84.1 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | -178.9 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | L388 M390 N705 E706 L711 R712 I713 | L388-V709 HydrophobicContact CB-CG2 3.72Å; L388-V709 HydrophobicContact CD1-CG2 4.13Å; L388-V709 HydrophobicContact CG-CG2 4.38Å; M390-V709 HydrophobicContact CE-CG1 3.83Å; M390-V709 HydrophobicContact CG-CG1 3.82Å; N705-V709 WeakPolarHBondContact O-CG2 3.49Å; N705-V709 PolarHBondContact O-N 3.06Å; E706-V709 PolarHBondContact O-N 2.86Å; V709-L711 VanDerWaalsContact C-N 3.3Å; V709-L711 PolarHBondContact O-N 3.02Å; V709-R712 PolarHBondContact O-N 2.84Å; V709-I713 HydrophobicContact CG1-CD1 4.16Å; V709-I713 WeakPolarHBondContact O-CG1 3.37Å; V709-I713 PolarHBondContact O-N 3.06Å |
| 710 | Q | 85.1 | Confident | 85.2 | Confident | 124 Ų | 124 | 42 Ų | 42 | 58% | 0.579 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -60.1 | -41.7 | 177.1 | -71.2 | 178.5 | 9.4 | 0 | 0 | 111.8 | E706 I708 I713 L714 | E706-Q710 WeakPolarHBondContact O-CG 3.16Å; E706-Q710 PolarHBondContact O-N 2.74Å; I708-Q710 PolarHBondContact O-N 3.49Å; Q710-I713 WeakPolarHBondContact O-CB 3.24Å; Q710-I713 PolarHBondContact O-N 2.98Å; Q710-L714 WeakPolarHBondContact O-CG 3.49Å; Q710-L714 PolarHBondContact O-N 3.27Å |
| 711 | L | 86.9 | Confident | 86.3 | Confident | 52 Ų | 52 | 41.7 Ų | 41.7 | 27% | 0.272 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.1 | -37.5 | 179.7 | -170.8 | 53.6 | 0 | 0 | 0 | 112.2 | Y490 G707 I708 V709 I713 L714 R715 | Y490-L711 HydrophobicContact CE1-CD2 4.45Å; Y490-L711 WeakPolarHBondContact OH-CD2 3.31Å; G707-L711 WeakPolarHBondContact O-CB 3.45Å; G707-L711 PolarHBondContact O-N 2.86Å; I708-L711 PolarHBondContact O-N 2.7Å; V709-L711 VanDerWaalsContact C-N 3.3Å; V709-L711 PolarHBondContact O-N 3.02Å; L711-I713 VanDerWaalsContact C-N 3.31Å; L711-I713 PolarHBondContact O-N 3.01Å; L711-L714 PolarHBondContact O-N 2.99Å; L711-R715 HydrophobicContact CD1-CG 4.3Å; L711-R715 HydrophobicContact CG-CG 4.43Å; L711-R715 WeakPolarHBondContact O-CB 3.32Å; L711-R715 VanDerWaalsContact O-CG 3.29Å; L711-R715 WeakPolarHBondContact O-CG 3.28Å; L711-R715 PolarHBondContact O-N 2.92Å |
| 712 | R | 90.4 | Very high | 87.2 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 172.4 | -71.8 | -179.3 | 177.9 | 179.1 | -0 | 112 | E402 D449 I708 V709 T716 F747 M753 | E402-R712 IonicContact OE1-CZ 2.72Å; E402-R712 IonicContact OE1-NH1 3.94Å; E402-R712 PolarHBondContact OE1-NH1 2.71Å; E402-R712 IonicContact OE2-CZ 3.32Å; E402-R712 IonicContact OE2-NH1 2.94Å; E402-R712 PolarHBondContact OE2-NH1 2.87Å; E402-R712 IonicContact OE2-NH2 3.93Å; E402-R712 PolarHBondContact OE2-NH2 3.05Å; D449-R712 IonicContact OD1-CZ 3.9Å; D449-R712 IonicContact OD1-NE 2.78Å; D449-R712 IonicContact OD1-NH2 3.84Å; D449-R712 PolarHBondContact OD1-NH2 3.46Å; D449-R712 WeakPolarHBondContact OD2-CG 3.11Å; D449-R712 IonicContact OD2-CZ 2.75Å; D449-R712 IonicContact OD2-NE 3.04Å; D449-R712 PolarHBondContact OD2-NE 2.97Å; D449-R712 IonicContact OD2-NH2 2.88Å; D449-R712 PolarHBondContact OD2-NH2 3.46Å; I708-R712 HydrophobicContact CG2-CG 4.44Å; I708-R712 WeakPolarHBondContact O-CG 3.41Å; I708-R712 PolarHBondContact O-N 3.03Å; V709-R712 PolarHBondContact O-N 2.84Å; R712-T716 VanDerWaalsContact O-CB 3.3Å; R712-T716 WeakPolarHBondContact O-CB 3.34Å; R712-T716 PolarHBondContact O-N 2.86Å; R712-T716 PolarHBondContact O-OG1 3.36Å; R712-F747 HydrophobicContact CB-CD2 4.43Å; R712-F747 HydrophobicContact CB-CE1 4.12Å; R712-F747 HydrophobicContact CB-CE2 3.88Å; R712-F747 HydrophobicContact CB-CZ 3.72Å; R712-F747 HydrophobicContact CG-CD1 3.85Å; R712-F747 HydrophobicContact CG-CD2 3.93Å; R712-F747 HydrophobicContact CG-CE1 3.8Å; R712-F747 HydrophobicContact CG-CE2 3.87Å; R712-F747 HydrophobicContact CG-CG 3.92Å; R712-F747 HydrophobicContact CG-CZ 3.81Å; R712-M753 HydrophobicContact CB-CE 3.99Å; R712-M753 HydrophobicContact CB-SD 4.09Å |
| 713 | I | 89.1 | Confident | 88.1 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 20% | 0.2 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.5 | -54.3 | 174.9 | -72.1 | 166.2 | 0 | 0 | 0 | 110.2 | M390 V709 Q710 L711 R715 T716 Q717 M753 | M390-I713 HydrophobicContact CE-CD1 4.27Å; V709-I713 HydrophobicContact CG1-CD1 4.16Å; V709-I713 WeakPolarHBondContact O-CG1 3.37Å; V709-I713 PolarHBondContact O-N 3.06Å; Q710-I713 WeakPolarHBondContact O-CB 3.24Å; Q710-I713 PolarHBondContact O-N 2.98Å; L711-I713 VanDerWaalsContact C-N 3.31Å; L711-I713 PolarHBondContact O-N 3.01Å; I713-R715 PolarHBondContact O-N 3.32Å; I713-T716 WeakPolarHBondContact O-CB 3.49Å; I713-T716 PolarHBondContact O-N 3Å; I713-Q717 WeakPolarHBondContact O-CG 3.26Å; I713-Q717 PolarHBondContact O-N 2.87Å; I713-M753 HydrophobicContact CG1-CE 4.34Å |
| 714 | L | 90.6 | Very high | 88.9 | Confident | 101 Ų | 101 | 36.9 Ų | 36.9 | 53% | 0.529 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.9 | -43 | -179 | -67.2 | 173 | 0 | 0 | 0 | 112.2 | Q710 L711 T716 Q717 E718 | Q710-L714 WeakPolarHBondContact O-CG 3.49Å; Q710-L714 PolarHBondContact O-N 3.27Å; L711-L714 PolarHBondContact O-N 2.99Å; L714-T716 VanDerWaalsContact C-N 3.34Å; L714-T716 PolarHBondContact O-N 3.41Å; L714-Q717 PolarHBondContact O-N 3.27Å; L714-E718 WeakPolarHBondContact O-CB 3.28Å; L714-E718 PolarHBondContact O-N 3.02Å |
| 715 | R | 90.9 | Very high | 89.6 | Confident | 52 Ų | 52 | 41 Ų | 41 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 177.1 | -71 | -59.2 | -168.8 | -172 | 4.8 | 112.5 | D489 L711 I713 E718 A719 L743 F747 | D489-R715 IonicContact OD2-CZ 3.78Å; D489-R715 IonicContact OD2-NH2 2.62Å; D489-R715 PolarHBondContact OD2-NH2 2.92Å; L711-R715 HydrophobicContact CD1-CG 4.3Å; L711-R715 HydrophobicContact CG-CG 4.43Å; L711-R715 WeakPolarHBondContact O-CB 3.32Å; L711-R715 VanDerWaalsContact O-CG 3.29Å; L711-R715 WeakPolarHBondContact O-CG 3.28Å; L711-R715 PolarHBondContact O-N 2.92Å; I713-R715 PolarHBondContact O-N 3.32Å; R715-E718 WeakPolarHBondContact CD-OE2 3.44Å; R715-E718 IonicContact CZ-OE2 3.89Å; R715-E718 IonicContact NE-OE2 2.74Å; R715-E718 IonicContact NH1-OE1 3.64Å; R715-E718 IonicContact NH1-OE2 2.74Å; R715-E718 PolarHBondContact NH1-OE2 3.42Å; R715-A719 VanDerWaalsContact O-CB 3.26Å; R715-A719 WeakPolarHBondContact O-CB 3.45Å; R715-A719 PolarHBondContact O-N 2.93Å; R715-L743 HydrophobicContact CB-CD2 4.29Å; R715-F747 HydrophobicContact CB-CE1 4.24Å |
| 716 | T | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65 | -46 | 175 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | R712 I713 L714 A719 I720 L739 Q757 | R712-T716 VanDerWaalsContact O-CB 3.3Å; R712-T716 WeakPolarHBondContact O-CB 3.34Å; R712-T716 PolarHBondContact O-N 2.86Å; R712-T716 PolarHBondContact O-OG1 3.36Å; I713-T716 WeakPolarHBondContact O-CB 3.49Å; I713-T716 PolarHBondContact O-N 3Å; L714-T716 VanDerWaalsContact C-N 3.34Å; L714-T716 PolarHBondContact O-N 3.41Å; T716-A719 PolarHBondContact O-N 2.88Å; T716-I720 HydrophobicContact CG2-CD1 3.84Å; T716-I720 WeakPolarHBondContact O-CD1 3.43Å; T716-I720 VanDerWaalsContact O-CG1 3.22Å; T716-I720 WeakPolarHBondContact O-CG1 3.32Å; T716-I720 PolarHBondContact O-N 3.43Å; T716-L739 HydrophobicContact CG2-CD2 4.16Å; T716-Q757 HydrophobicContact CG2-CB 4.1Å; T716-Q757 HydrophobicContact CG2-CG 3.95Å |
| 717 | Q | 92.4 | Very high | 90.7 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 176.2 | -68.3 | 171.6 | -6.5 | 0 | 0 | 111.6 | I713 L714 A719 I720 I721 Q757 W760 | I713-Q717 WeakPolarHBondContact O-CG 3.26Å; I713-Q717 PolarHBondContact O-N 2.87Å; L714-Q717 PolarHBondContact O-N 3.27Å; Q717-A719 PolarHBondContact O-N 2.8Å; Q717-I720 PolarHBondContact O-N 3.27Å; Q717-I721 VanDerWaalsContact O-CG1 3.29Å; Q717-I721 WeakPolarHBondContact O-CG1 3.4Å; Q717-I721 PolarHBondContact O-N 2.98Å; Q717-Q757 HydrophobicContact CG-CB 4.24Å; Q717-Q757 HydrophobicContact CG-CG 4.19Å; Q717-W760 HydrophobicContact CG-CE3 4.29Å; Q717-W760 HydrophobicContact CG-CZ3 4.49Å |
| 718 | E | 92.6 | Very high | 91.1 | Very high | 97 Ų | 97 | 54.8 Ų | 54.8 | 45% | 0.453 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.7 | -48.8 | 177.9 | -178.8 | -175.2 | -164.2 | 0 | 0 | 111.7 | L714 R715 I721 Q722 | L714-E718 WeakPolarHBondContact O-CB 3.28Å; L714-E718 PolarHBondContact O-N 3.02Å; R715-E718 WeakPolarHBondContact CD-OE2 3.44Å; R715-E718 IonicContact CZ-OE2 3.89Å; R715-E718 IonicContact NE-OE2 2.74Å; R715-E718 IonicContact NH1-OE1 3.64Å; R715-E718 IonicContact NH1-OE2 2.74Å; R715-E718 PolarHBondContact NH1-OE2 3.42Å; E718-I721 PolarHBondContact O-N 2.99Å; E718-Q722 WeakPolarHBondContact O-CB 3.44Å; E718-Q722 PolarHBondContact O-N 3.4Å |
| 719 | A | 93.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -41.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R715 T716 Q717 Q722 I723 L739 I742 L743 | R715-A719 VanDerWaalsContact O-CB 3.26Å; R715-A719 WeakPolarHBondContact O-CB 3.45Å; R715-A719 PolarHBondContact O-N 2.93Å; T716-A719 PolarHBondContact O-N 2.88Å; Q717-A719 PolarHBondContact O-N 2.8Å; A719-Q722 PolarHBondContact O-N 3.29Å; A719-I723 WeakPolarHBondContact O-CG1 3.37Å; A719-I723 PolarHBondContact O-N 3.28Å; A719-L739 HydrophobicContact CB-CD1 3.49Å; A719-L739 VanDerWaalsContact CB-CD1 3.49Å; A719-I742 HydrophobicContact CB-CG2 4.21Å; A719-L743 HydrophobicContact CB-CD2 4.3Å; A719-L743 HydrophobicContact CB-CG 4.43Å |
| 720 | I | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 174.6 | -67.3 | 165.2 | 0 | 0 | 0 | 110.2 | T716 Q717 Q722 I723 M724 L735 L739 Q757 I758 L761 | T716-I720 HydrophobicContact CG2-CD1 3.84Å; T716-I720 WeakPolarHBondContact O-CD1 3.43Å; T716-I720 VanDerWaalsContact O-CG1 3.22Å; T716-I720 WeakPolarHBondContact O-CG1 3.32Å; T716-I720 PolarHBondContact O-N 3.43Å; Q717-I720 PolarHBondContact O-N 3.27Å; I720-Q722 VanDerWaalsContact C-N 3.3Å; I720-Q722 PolarHBondContact O-N 3.09Å; I720-I723 PolarHBondContact O-N 3.46Å; I720-M724 HydrophobicContact CG2-CG 4.08Å; I720-M724 VanDerWaalsContact O-CB 3.31Å; I720-M724 WeakPolarHBondContact O-CB 3.44Å; I720-M724 WeakPolarHBondContact O-CG 3.32Å; I720-M724 PolarHBondContact O-N 3.15Å; I720-L735 HydrophobicContact CG2-CD1 4.37Å; I720-L735 HydrophobicContact CG2-CD2 4.34Å; I720-L739 HydrophobicContact CD1-CD2 4.28Å; I720-L739 HydrophobicContact CG1-CD1 4.1Å; I720-L739 HydrophobicContact CG1-CD2 4Å; I720-Q757 HydrophobicContact CD1-CB 4.2Å; I720-I758 HydrophobicContact CD1-CG1 4.09Å; I720-L761 HydrophobicContact CB-CD1 3.72Å; I720-L761 HydrophobicContact CD1-CD1 4.1Å; I720-L761 HydrophobicContact CG2-CD1 3.4Å; I720-L761 VanDerWaalsContact CG2-CD1 3.4Å |
| 721 | I | 93.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 57 Ų | 57 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 178.3 | -68.5 | 166.1 | 0 | 0 | 0 | 110.8 | Q717 E718 M724 K725 L761 Y766 | Q717-I721 VanDerWaalsContact O-CG1 3.29Å; Q717-I721 WeakPolarHBondContact O-CG1 3.4Å; Q717-I721 PolarHBondContact O-N 2.98Å; E718-I721 PolarHBondContact O-N 2.99Å; I721-M724 PolarHBondContact O-N 3.08Å; I721-K725 HydrophobicContact CG2-CD 3.94Å; I721-K725 HydrophobicContact CG2-CG 4.31Å; I721-K725 WeakPolarHBondContact O-CB 3.47Å; I721-K725 VanDerWaalsContact O-CG 3.28Å; I721-K725 WeakPolarHBondContact O-CG 3.47Å; I721-K725 PolarHBondContact O-N 3.3Å; I721-L761 HydrophobicContact CD1-CD2 3.69Å; I721-L761 HydrophobicContact CG1-CD1 4.38Å; I721-L761 HydrophobicContact CG1-CD2 3.75Å; I721-Y766 HydrophobicContact CD1-CD1 4.26Å; I721-Y766 HydrophobicContact CD1-CE1 4.46Å; I721-Y766 HydrophobicContact CD1-CG 4.38Å |
| 722 | Q | 93.6 | Very high | 92.6 | Very high | 119 Ų | 119 | 56.1 Ų | 56.1 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.6 | -46.9 | 178.8 | -174.6 | 178.8 | -8 | 0 | 0 | 112.1 | E718 A719 I720 K725 M726 | E718-Q722 WeakPolarHBondContact O-CB 3.44Å; E718-Q722 PolarHBondContact O-N 3.4Å; A719-Q722 PolarHBondContact O-N 3.29Å; I720-Q722 VanDerWaalsContact C-N 3.3Å; I720-Q722 PolarHBondContact O-N 3.09Å; Q722-K725 PolarHBondContact O-N 3.18Å; Q722-M726 PolarHBondContact O-N 3.5Å |
| 723 | I | 93.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 176.2 | -67.6 | 163.4 | 0 | 0 | 0 | 110.2 | A719 I720 K725 M726 R727 I730 L735 E738 L739 I742 | A719-I723 WeakPolarHBondContact O-CG1 3.37Å; A719-I723 PolarHBondContact O-N 3.28Å; I720-I723 PolarHBondContact O-N 3.46Å; I723-K725 VanDerWaalsContact C-N 3.35Å; I723-K725 PolarHBondContact O-N 3.17Å; I723-M726 PolarHBondContact O-N 3.26Å; I723-M726 VanDerWaalsContact O-N 3.11Å; I723-R727 HydrophobicContact CG2-CG 4.31Å; I723-R727 PolarHBondContact O-N 3.38Å; I723-I730 HydrophobicContact CG2-CD1 3.71Å; I723-L735 HydrophobicContact CB-CD1 4.07Å; I723-L735 HydrophobicContact CD1-CD1 4Å; I723-L735 HydrophobicContact CG2-CD1 3.7Å; I723-E738 HydrophobicContact CD1-CB 3.81Å; I723-E738 HydrophobicContact CG1-CB 4.29Å; I723-E738 WeakPolarHBondContact CG2-OE2 3.45Å; I723-L739 HydrophobicContact CD1-CB 4.13Å; I723-I742 HydrophobicContact CD1-CD1 3.83Å; I723-I742 HydrophobicContact CG1-CD1 3.7Å |
| 724 | M | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | -178.1 | -70.7 | -65.6 | -60.1 | 0 | 0 | 112.4 | I720 I721 M726 K728 I730 I767 F777 Y779 | I720-M724 HydrophobicContact CG2-CG 4.08Å; I720-M724 VanDerWaalsContact O-CB 3.31Å; I720-M724 WeakPolarHBondContact O-CB 3.44Å; I720-M724 WeakPolarHBondContact O-CG 3.32Å; I720-M724 PolarHBondContact O-N 3.15Å; I721-M724 PolarHBondContact O-N 3.08Å; M724-M726 VanDerWaalsContact C-N 3.3Å; M724-M726 PolarHBondContact O-N 3.06Å; M724-K728 VanDerWaalsContact O-CA 3.24Å; M724-K728 WeakPolarHBondContact O-CA 3.29Å; M724-K728 PolarHBondContact O-N 3.43Å; M724-I730 HydrophobicContact CE-CG2 4.48Å; M724-I730 HydrophobicContact SD-CG2 3.34Å; M724-I730 WeakPolarHBondContact SD-CG2 2.98Å; M724-I767 HydrophobicContact CB-CG2 4.07Å; M724-I767 HydrophobicContact CE-CB 4.11Å; M724-I767 HydrophobicContact CE-CG2 3.62Å; M724-I767 HydrophobicContact CG-CG2 3.77Å; M724-I767 HydrophobicContact SD-CG2 4.36Å; M724-F777 HydrophobicContact CE-CB 3.65Å; M724-F777 HydrophobicContact SD-CB 4.02Å; M724-Y779 HydrophobicContact CB-CD2 3.77Å; M724-Y779 HydrophobicContact CB-CG 4.38Å; M724-Y779 WeakPolarHBondContact O-CB 3.32Å |
| 725 | K | 93.4 | Very high | 93 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 172.7 | -81.6 | 175.5 | 176.8 | 179 | 0 | 112.2 | I721 Q722 I723 K728 Y779 | I721-K725 HydrophobicContact CG2-CD 3.94Å; I721-K725 HydrophobicContact CG2-CG 4.31Å; I721-K725 WeakPolarHBondContact O-CB 3.47Å; I721-K725 VanDerWaalsContact O-CG 3.28Å; I721-K725 WeakPolarHBondContact O-CG 3.47Å; I721-K725 PolarHBondContact O-N 3.3Å; Q722-K725 PolarHBondContact O-N 3.18Å; I723-K725 VanDerWaalsContact C-N 3.35Å; I723-K725 PolarHBondContact O-N 3.17Å; K725-K728 VanDerWaalsContact O-CE 3.3Å; K725-K728 WeakPolarHBondContact O-CE 3.25Å; K725-Y779 WeakPolarHBondContact CE-OH 3.49Å; K725-Y779 HydrophobicContact CG-CD2 4.35Å; K725-Y779 HydrophobicContact CG-CE1 3.85Å; K725-Y779 HydrophobicContact CG-CE2 3.63Å; K725-Y779 WeakPolarHBondContact CG-OH 3.42Å |
| 726 | M | 92.6 | Very high | 93 | Very high | 129 Ų | 129 | 57.4 Ų | 57.4 | 64% | 0.635 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -76.5 | -46.9 | -177.6 | -173.3 | 178.2 | 73.6 | 0 | 0 | 112.6 | Q722 I723 M724 | Q722-M726 PolarHBondContact O-N 3.5Å; I723-M726 PolarHBondContact O-N 3.26Å; I723-M726 VanDerWaalsContact O-N 3.11Å; M724-M726 VanDerWaalsContact C-N 3.3Å; M724-M726 PolarHBondContact O-N 3.06Å |
| 727 | R | 92.1 | Very high | 93 | Very high | 135 Ų | 135 | 61.5 Ų | 61.5 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -89.3 | -24.1 | -173.3 | -62.3 | -65.5 | -164.4 | -173.9 | 1.6 | 113.7 | I723 R729 I730 E738 | I723-R727 HydrophobicContact CG2-CG 4.31Å; I723-R727 PolarHBondContact O-N 3.38Å; R727-R729 PolarHBondContact O-N 2.95Å; R727-I730 HydrophobicContact CB-CB 4.42Å; R727-I730 HydrophobicContact CG-CD1 4.27Å; R727-E738 IonicContact CZ-OE1 2.63Å; R727-E738 VanDerWaalsContact CZ-OE1 3.29Å; R727-E738 IonicContact NE-OE1 3.73Å; R727-E738 PolarHBondContact NE-OE1 3.09Å; R727-E738 IonicContact NE-OE2 3.12Å; R727-E738 IonicContact NH2-OE1 3.99Å; R727-E738 PolarHBondContact NH2-OE1 3.17Å |
| 728 | K | 92.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 60.5 | -35.9 | -175.4 | -60.3 | -65 | -171.8 | 173.7 | 0 | 116 | M724 K725 I778 Y779 | M724-K728 VanDerWaalsContact O-CA 3.24Å; M724-K728 WeakPolarHBondContact O-CA 3.29Å; M724-K728 PolarHBondContact O-N 3.43Å; K725-K728 VanDerWaalsContact O-CE 3.3Å; K725-K728 WeakPolarHBondContact O-CE 3.25Å; K728-I778 CarbonylContact O-C 3.58Å; K728-I778 WeakPolarHBondContact O-CA 3.18Å; K728-Y779 HydrophobicContact CD-CD1 3.97Å; K728-Y779 HydrophobicContact CD-CG 4.47Å; K728-Y779 PolarHBondContact O-N 3.42Å |
| 729 | R | 92.9 | Very high | 93.1 | Very high | 146 Ų | 146 | 57.5 Ų | 57.5 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 129.3 | 172.7 | -171.5 | 175.2 | -174.3 | -148.5 | 1.6 | 109.1 | R727 D770 T776 F777 I778 | R727-R729 PolarHBondContact O-N 2.95Å; R729-D770 IonicContact CZ-OD2 3.73Å; R729-D770 IonicContact NE-OD2 2.83Å; R729-D770 PolarHBondContact NE-OD2 3.41Å; R729-D770 IonicContact NH2-OD2 3.21Å; R729-D770 PolarHBondContact NH2-OD2 3.02Å; R729-T776 HydrophobicContact CG-CG2 3.62Å; R729-F777 VanDerWaalsContact CA-O 3.27Å; R729-F777 WeakPolarHBondContact CA-O 3.31Å; R729-I778 HydrophobicContact CG-CG1 4.2Å |
| 730 | I | 94.6 | Very high | 93 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 146.2 | -177.3 | -164.8 | 171.9 | 0 | 0 | 0 | 111.1 | I723 M724 R727 Q734 L735 F777 | I723-I730 HydrophobicContact CG2-CD1 3.71Å; M724-I730 HydrophobicContact CE-CG2 4.48Å; M724-I730 HydrophobicContact SD-CG2 3.34Å; M724-I730 WeakPolarHBondContact SD-CG2 2.98Å; R727-I730 HydrophobicContact CB-CB 4.42Å; R727-I730 HydrophobicContact CG-CD1 4.27Å; I730-Q734 HydrophobicContact CD1-CB 3.91Å; I730-Q734 HydrophobicContact CG1-CB 3.62Å; I730-L735 HydrophobicContact CD1-CB 4.13Å; I730-L735 HydrophobicContact CG1-CB 4.44Å; I730-L735 HydrophobicContact CG2-CB 4.09Å; I730-L735 HydrophobicContact CG2-CD1 4.39Å; I730-F777 PolarHBondContact N-O 3.44Å; I730-F777 PolarHBondContact O-N 3.01Å |
| 731 | S | 94.8 | Very high | 92.8 | Very high | 33 Ų | 33 | 65.1 Ų | 65.1 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 157 | 172 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | A733 Q734 L735 N775 | S731-A733 VanDerWaalsContact C-N 3.3Å; S731-A733 PolarHBondContact O-N 2.98Å; S731-Q734 PolarHBondContact O-N 3.09Å; S731-Q734 WeakPolarHBondContact OG-CB 3.36Å; S731-Q734 VanDerWaalsContact OG-CD 3.25Å; S731-Q734 VanDerWaalsContact OG-CG 3.26Å; S731-Q734 WeakPolarHBondContact OG-CG 3.25Å; S731-Q734 PolarHBondContact OG-N 3.32Å; S731-Q734 PolarHBondContact OG-OE1 2.92Å; S731-L735 WeakPolarHBondContact O-CB 3.22Å; S731-L735 PolarHBondContact O-N 2.97Å; S731-N775 CarbonylContact C-O 3.56Å; S731-N775 WeakPolarHBondContact CA-O 3.17Å |
| 732 | N | 91.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 67 Ų | 67 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 178.7 | -170.4 | -65.1 | 0 | 0 | 0 | 112.2 | L735 Q736 N775 F777 | N732-L735 PolarHBondContact O-N 3.14Å; N732-Q736 WeakPolarHBondContact O-CG 3.4Å; N732-Q736 PolarHBondContact O-N 2.9Å; N732-Q736 PolarHBondContact OD1-NE2 2.81Å; N732-N775 WeakPolarHBondContact CB-O 3.48Å; N732-N775 PolarHBondContact N-O 3.35Å; N732-F777 HydrophobicContact CB-CE2 3.81Å; N732-F777 HydrophobicContact CB-CZ 4.38Å; N732-F777 WeakPolarHBondContact ND2-CE2 3.37Å; N732-F777 WeakPolarHBondContact ND2-CZ 3.29Å |
| 733 | A | 92.1 | Very high | 92.4 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 55% | 0.554 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.3 | -47.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | S731 Q736 T737 | S731-A733 VanDerWaalsContact C-N 3.3Å; S731-A733 PolarHBondContact O-N 2.98Å; A733-Q736 PolarHBondContact O-N 3.29Å; A733-T737 PolarHBondContact O-N 2.72Å; A733-T737 PolarHBondContact O-OG1 2.92Å |
| 734 | Q | 92.8 | Very high | 91.9 | Very high | 112 Ų | 112 | 66.5 Ų | 66.5 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 177.6 | -72.3 | 167.3 | -34.9 | 0 | 0 | 111.9 | I730 S731 Q736 T737 E738 | I730-Q734 HydrophobicContact CD1-CB 3.91Å; I730-Q734 HydrophobicContact CG1-CB 3.62Å; S731-Q734 PolarHBondContact O-N 3.09Å; S731-Q734 WeakPolarHBondContact OG-CB 3.36Å; S731-Q734 VanDerWaalsContact OG-CD 3.25Å; S731-Q734 VanDerWaalsContact OG-CG 3.26Å; S731-Q734 WeakPolarHBondContact OG-CG 3.25Å; S731-Q734 PolarHBondContact OG-N 3.32Å; S731-Q734 PolarHBondContact OG-OE1 2.92Å; Q734-Q736 VanDerWaalsContact C-N 3.35Å; Q734-Q736 PolarHBondContact O-N 3.29Å; Q734-T737 PolarHBondContact O-N 3.1Å; Q734-E738 PolarHBondContact O-N 3.47Å |
| 735 | L | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 176.2 | 179.7 | 63.9 | 0 | 0 | 0 | 111.2 | I720 I723 I730 S731 N732 L739 I758 F777 | I720-L735 HydrophobicContact CG2-CD1 4.37Å; I720-L735 HydrophobicContact CG2-CD2 4.34Å; I723-L735 HydrophobicContact CB-CD1 4.07Å; I723-L735 HydrophobicContact CD1-CD1 4Å; I723-L735 HydrophobicContact CG2-CD1 3.7Å; I730-L735 HydrophobicContact CD1-CB 4.13Å; I730-L735 HydrophobicContact CG1-CB 4.44Å; I730-L735 HydrophobicContact CG2-CB 4.09Å; I730-L735 HydrophobicContact CG2-CD1 4.39Å; S731-L735 WeakPolarHBondContact O-CB 3.22Å; S731-L735 PolarHBondContact O-N 2.97Å; N732-L735 PolarHBondContact O-N 3.14Å; L735-L739 WeakPolarHBondContact O-CB 3.39Å; L735-L739 PolarHBondContact O-N 3.46Å; L735-I758 HydrophobicContact CD2-CD1 3.92Å; L735-I758 HydrophobicContact CD2-CG1 4.34Å; L735-F777 HydrophobicContact CD2-CD2 3.8Å; L735-F777 HydrophobicContact CD2-CE2 4Å |
| 736 | Q | 92.1 | Very high | 91 | Very high | 45 Ų | 45 | 66.7 Ų | 66.7 | 21% | 0.21 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.9 | -74.6 | -173.9 | 34.1 | 0 | 0 | 111.9 | N732 A733 Q734 L739 V740 I754 | N732-Q736 WeakPolarHBondContact O-CG 3.4Å; N732-Q736 PolarHBondContact O-N 2.9Å; N732-Q736 PolarHBondContact OD1-NE2 2.81Å; A733-Q736 PolarHBondContact O-N 3.29Å; Q734-Q736 VanDerWaalsContact C-N 3.35Å; Q734-Q736 PolarHBondContact O-N 3.29Å; Q736-L739 PolarHBondContact O-N 2.79Å; Q736-V740 WeakPolarHBondContact O-CB 3.28Å; Q736-V740 VanDerWaalsContact O-CG2 3.27Å; Q736-V740 WeakPolarHBondContact O-CG2 3Å; Q736-V740 PolarHBondContact O-N 3Å; Q736-I754 HydrophobicContact CG-CD1 4.44Å; Q736-I754 HydrophobicContact CG-CG2 4.38Å |
| 737 | T | 92.9 | Very high | 90.8 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.2 | -51.3 | 178.3 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | A733 Q734 L739 V740 E741 | A733-T737 PolarHBondContact O-N 2.72Å; A733-T737 PolarHBondContact O-OG1 2.92Å; Q734-T737 PolarHBondContact O-N 3.1Å; T737-L739 VanDerWaalsContact C-N 3.31Å; T737-L739 PolarHBondContact O-N 2.93Å; T737-V740 PolarHBondContact O-N 3.48Å; T737-E741 PolarHBondContact O-N 2.62Å |
| 738 | E | 93.4 | Very high | 90.5 | Very high | 37 Ų | 37 | 58.1 Ų | 58.1 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 178.4 | -70.2 | -167.5 | -171.1 | 0 | 0 | 111.4 | I723 R727 Q734 E741 I742 | I723-E738 HydrophobicContact CD1-CB 3.81Å; I723-E738 HydrophobicContact CG1-CB 4.29Å; I723-E738 WeakPolarHBondContact CG2-OE2 3.45Å; R727-E738 IonicContact CZ-OE1 2.63Å; R727-E738 VanDerWaalsContact CZ-OE1 3.29Å; R727-E738 IonicContact NE-OE1 3.73Å; R727-E738 PolarHBondContact NE-OE1 3.09Å; R727-E738 IonicContact NE-OE2 3.12Å; R727-E738 IonicContact NH2-OE1 3.99Å; R727-E738 PolarHBondContact NH2-OE1 3.17Å; Q734-E738 PolarHBondContact O-N 3.47Å; E738-E741 PolarHBondContact O-N 3.32Å; E738-I742 WeakPolarHBondContact O-CG1 3.44Å; E738-I742 PolarHBondContact O-N 3.25Å |
| 739 | L | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 177.8 | -179.5 | 63.1 | 0 | 0 | 0 | 112.2 | T716 A719 I720 I723 L735 Q736 T737 E741 I742 L743 P749 I754 | T716-L739 HydrophobicContact CG2-CD2 4.16Å; A719-L739 HydrophobicContact CB-CD1 3.49Å; A719-L739 VanDerWaalsContact CB-CD1 3.49Å; I720-L739 HydrophobicContact CD1-CD2 4.28Å; I720-L739 HydrophobicContact CG1-CD1 4.1Å; I720-L739 HydrophobicContact CG1-CD2 4Å; I723-L739 HydrophobicContact CD1-CB 4.13Å; L735-L739 WeakPolarHBondContact O-CB 3.39Å; L735-L739 PolarHBondContact O-N 3.46Å; Q736-L739 PolarHBondContact O-N 2.79Å; T737-L739 VanDerWaalsContact C-N 3.31Å; T737-L739 PolarHBondContact O-N 2.93Å; L739-E741 VanDerWaalsContact C-N 3.31Å; L739-E741 PolarHBondContact O-N 3.29Å; L739-I742 PolarHBondContact O-N 2.88Å; L739-L743 HydrophobicContact CD1-CD1 3.54Å; L739-L743 HydrophobicContact CD1-CG 4.14Å; L739-L743 HydrophobicContact CG-CD1 4Å; L739-L743 WeakPolarHBondContact O-CB 3.33Å; L739-L743 WeakPolarHBondContact O-CG 3.04Å; L739-L743 PolarHBondContact O-N 3.13Å; L739-P749 HydrophobicContact CG-CG 4.45Å; L739-I754 HydrophobicContact CD2-CB 4.41Å; L739-I754 HydrophobicContact CD2-CD1 3.87Å; L739-I754 HydrophobicContact CD2-CG1 3.72Å; L739-I754 HydrophobicContact CD2-CG2 3.9Å |
| 740 | V | 90.9 | Very high | 89.7 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.5 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | Q736 T737 I742 L743 K744 L748 P749 | Q736-V740 WeakPolarHBondContact O-CB 3.28Å; Q736-V740 VanDerWaalsContact O-CG2 3.27Å; Q736-V740 WeakPolarHBondContact O-CG2 3Å; Q736-V740 PolarHBondContact O-N 3Å; T737-V740 PolarHBondContact O-N 3.48Å; V740-I742 PolarHBondContact O-N 3.28Å; V740-L743 PolarHBondContact O-N 3.04Å; V740-K744 WeakPolarHBondContact O-CA 3.46Å; V740-K744 WeakPolarHBondContact O-CB 3.3Å; V740-K744 PolarHBondContact O-N 2.97Å; V740-L748 HydrophobicContact CG1-CD1 3.88Å; V740-P749 HydrophobicContact CG2-CG 3.95Å |
| 741 | E | 90.1 | Very high | 89.3 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 178.1 | -75.4 | -168.2 | 158.8 | 0 | 0 | 114 | T737 E738 L739 K744 | T737-E741 PolarHBondContact O-N 2.62Å; E738-E741 PolarHBondContact O-N 3.32Å; L739-E741 VanDerWaalsContact C-N 3.31Å; L739-E741 PolarHBondContact O-N 3.29Å; E741-K744 WeakPolarHBondContact O-CE 3.43Å; E741-K744 WeakPolarHBondContact O-CG 3.32Å |
| 742 | I | 88.6 | Confident | 88.9 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 35% | 0.354 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.3 | -43 | 175.7 | -66.3 | 174.9 | 0 | 0 | 0 | 110.7 | A719 I723 E738 L739 V740 | A719-I742 HydrophobicContact CB-CG2 4.21Å; I723-I742 HydrophobicContact CD1-CD1 3.83Å; I723-I742 HydrophobicContact CG1-CD1 3.7Å; E738-I742 WeakPolarHBondContact O-CG1 3.44Å; E738-I742 PolarHBondContact O-N 3.25Å; L739-I742 PolarHBondContact O-N 2.88Å; V740-I742 PolarHBondContact O-N 3.28Å |
| 743 | L | 89 | Confident | 88.6 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -89.8 | -16.8 | -171.2 | -64 | 178.3 | 0 | 0 | 0 | 114.5 | R715 A719 L739 V740 N745 M746 F747 P749 | R715-L743 HydrophobicContact CB-CD2 4.29Å; A719-L743 HydrophobicContact CB-CD2 4.3Å; A719-L743 HydrophobicContact CB-CG 4.43Å; L739-L743 HydrophobicContact CD1-CD1 3.54Å; L739-L743 HydrophobicContact CD1-CG 4.14Å; L739-L743 HydrophobicContact CG-CD1 4Å; L739-L743 WeakPolarHBondContact O-CB 3.33Å; L739-L743 WeakPolarHBondContact O-CG 3.04Å; L739-L743 PolarHBondContact O-N 3.13Å; V740-L743 PolarHBondContact O-N 3.04Å; L743-N745 PolarHBondContact O-N 2.84Å; L743-M746 HydrophobicContact CD2-CE 4.38Å; L743-M746 WeakPolarHBondContact O-CA 3.48Å; L743-M746 PolarHBondContact O-N 3.39Å; L743-F747 CarbonylContact C-O 3.55Å; L743-F747 VanDerWaalsContact C-O 3.31Å; L743-F747 HydrophobicContact CD1-CE1 4.36Å; L743-F747 HydrophobicContact CD1-CE2 4.28Å; L743-F747 HydrophobicContact CD1-CZ 3.79Å; L743-F747 HydrophobicContact CD2-CE1 4.14Å; L743-F747 HydrophobicContact CD2-CZ 4.35Å; L743-F747 HydrophobicContact CG-CZ 4.49Å; L743-F747 PolarHBondContact O-N 3.29Å; L743-P749 HydrophobicContact CB-CG 4.44Å; L743-P749 HydrophobicContact CD1-CB 4.14Å; L743-P749 HydrophobicContact CD1-CG 4.06Å |
| 744 | K | 84.6 | Confident | 88.5 | Confident | 110 Ų | 110 | 55.4 Ų | 55.4 | 48% | 0.478 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24.8 | -173.8 | 67.2 | -172.9 | 174.6 | -169.2 | 0 | 115.7 | V740 E741 M746 | V740-K744 WeakPolarHBondContact O-CA 3.46Å; V740-K744 WeakPolarHBondContact O-CB 3.3Å; V740-K744 PolarHBondContact O-N 2.97Å; E741-K744 WeakPolarHBondContact O-CE 3.43Å; E741-K744 WeakPolarHBondContact O-CG 3.32Å; K744-M746 VanDerWaalsContact C-N 3.33Å |
| 745 | N | 82.6 | Confident | 88.4 | Confident | 84 Ų | 84 | 56.2 Ų | 56.2 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -11.8 | 178 | -69 | -22 | 0 | 0 | 0 | 112.9 | L743 | L743-N745 PolarHBondContact O-N 2.84Š|
| 746 | M | 84.7 | Confident | 88.2 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -58.7 | 175.4 | -58.4 | -169.2 | -129.7 | 0 | 0 | 111.2 | K448 D449 P487 L743 K744 | K448-M746 PolarHBondContact N-O 3.24Å; D449-M746 PolarHBondContact N-O 3.46Å; P487-M746 HydrophobicContact CB-CG 4.46Å; P487-M746 HydrophobicContact CG-CG 3.61Å; P487-M746 HydrophobicContact CG-SD 4.42Å; L743-M746 HydrophobicContact CD2-CE 4.38Å; L743-M746 WeakPolarHBondContact O-CA 3.48Å; L743-M746 PolarHBondContact O-N 3.39Å; K744-M746 VanDerWaalsContact C-N 3.33Å |
| 747 | F | 88.1 | Confident | 88.2 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | trans | -160 | 161.8 | -177.7 | 66.5 | -83.5 | 0 | 0 | 0 | 110.6 | R712 R715 L743 P749 M753 | R712-F747 HydrophobicContact CB-CD2 4.43Å; R712-F747 HydrophobicContact CB-CE1 4.12Å; R712-F747 HydrophobicContact CB-CE2 3.88Å; R712-F747 HydrophobicContact CB-CZ 3.72Å; R712-F747 HydrophobicContact CG-CD1 3.85Å; R712-F747 HydrophobicContact CG-CD2 3.93Å; R712-F747 HydrophobicContact CG-CE1 3.8Å; R712-F747 HydrophobicContact CG-CE2 3.87Å; R712-F747 HydrophobicContact CG-CG 3.92Å; R712-F747 HydrophobicContact CG-CZ 3.81Å; R715-F747 HydrophobicContact CB-CE1 4.24Å; L743-F747 CarbonylContact C-O 3.55Å; L743-F747 VanDerWaalsContact C-O 3.31Å; L743-F747 HydrophobicContact CD1-CE1 4.36Å; L743-F747 HydrophobicContact CD1-CE2 4.28Å; L743-F747 HydrophobicContact CD1-CZ 3.79Å; L743-F747 HydrophobicContact CD2-CE1 4.14Å; L743-F747 HydrophobicContact CD2-CZ 4.35Å; L743-F747 HydrophobicContact CG-CZ 4.49Å; L743-F747 PolarHBondContact O-N 3.29Å; F747-P749 HydrophobicContact CD2-CB 4.45Å; F747-P749 HydrophobicContact CE2-CB 3.89Å; F747-P749 WeakPolarHBondContact O-CD 3.48Å; F747-M753 HydrophobicContact CE2-SD 4.43Å | ||
| 748 | L | 85.7 | Confident | 88.2 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | trans | -90.8 | 111.8 | 172.1 | -170.9 | 67.8 | 0 | 0 | 0 | 109.9 | N447 V740 Q750 | N447-L748 PolarHBondContact OD1-N 3.24Å; V740-L748 HydrophobicContact CG1-CD1 3.88Å; L748-Q750 PolarHBondContact O-N 3.3Å | ||
| 749 | P | 85.4 | Confident | 88.1 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | trans | -67.7 | 128.1 | -177.7 | 27.8 | -35.4 | 0 | 0 | 0 | 111.1 | L739 V740 L743 F747 I754 | L739-P749 HydrophobicContact CG-CG 4.45Å; V740-P749 HydrophobicContact CG2-CG 3.95Å; L743-P749 HydrophobicContact CB-CG 4.44Å; L743-P749 HydrophobicContact CD1-CB 4.14Å; L743-P749 HydrophobicContact CD1-CG 4.06Å; F747-P749 HydrophobicContact CD2-CB 4.45Å; F747-P749 HydrophobicContact CE2-CB 3.89Å; F747-P749 WeakPolarHBondContact O-CD 3.48Å; P749-I754 HydrophobicContact CB-CD1 4.03Å; P749-I754 HydrophobicContact CB-CG1 4.02Å; P749-I754 HydrophobicContact CG-CD1 4.14Å | ||
| 750 | Q | 84.5 | Confident | 88.1 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 28% | 0.28 | 28% | 0.282 | S | S | . | . | trans | -71.4 | 137.7 | 178.1 | -61.9 | -175.8 | 6.2 | 0 | 0 | 110.5 | E402 L748 K752 M753 I754 | E402-Q750 PolarHBondContact OE1-NE2 3.25Å; L748-Q750 PolarHBondContact O-N 3.3Å; Q750-K752 PolarHBondContact O-N 2.93Å; Q750-M753 HydrophobicContact CB-CB 4.4Å; Q750-M753 WeakPolarHBondContact O-CB 3.26Å; Q750-M753 PolarHBondContact O-N 3.39Å; Q750-I754 WeakPolarHBondContact O-CG1 3.29Å; Q750-I754 PolarHBondContact O-N 3.22Å | ||
| 751 | K | 85.7 | Confident | 88.2 | Confident | 150 Ų | 150 | 58.1 Ų | 58.1 | 65% | 0.652 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -51.9 | -35.5 | 179.3 | -69 | -175.3 | 178.4 | -179.8 | 0 | 113.4 | K755 | K751-K755 WeakPolarHBondContact O-CG 3.17Å; K751-K755 PolarHBondContact O-N 3.24Å; K751-K755 VanDerWaalsContact O-N 3.15Å |
| 752 | K | 85.8 | Confident | 88.3 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.4 | -49.8 | 177.3 | -174.3 | 179.5 | 177.6 | -178.5 | 0 | 111.8 | M397 Q750 I754 K755 E756 | M397-K752 VanDerWaalsContact CE-CE 3.46Å; Q750-K752 PolarHBondContact O-N 2.93Å; K752-I754 VanDerWaalsContact C-N 3.29Å; K752-I754 PolarHBondContact O-N 3.28Å; K752-K755 PolarHBondContact O-N 3.25Å; K752-K755 VanDerWaalsContact O-N 3.16Å; K752-E756 WeakPolarHBondContact CE-OE1 3.48Å; K752-E756 WeakPolarHBondContact CG-OE1 3.41Å; K752-E756 WeakPolarHBondContact O-CG 3.41Å; K752-E756 PolarHBondContact O-N 3.02Å |
| 753 | M | 86.4 | Confident | 88.5 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 175.5 | -179.9 | -175.8 | -73 | 0 | 0 | 111.1 | M390 R712 I713 F747 Q750 K755 E756 Q757 | M390-M753 HydrophobicContact CE-CE 4.28Å; R712-M753 HydrophobicContact CB-CE 3.99Å; R712-M753 HydrophobicContact CB-SD 4.09Å; I713-M753 HydrophobicContact CG1-CE 4.34Å; F747-M753 HydrophobicContact CE2-SD 4.43Å; Q750-M753 HydrophobicContact CB-CB 4.4Å; Q750-M753 WeakPolarHBondContact O-CB 3.26Å; Q750-M753 PolarHBondContact O-N 3.39Å; M753-K755 VanDerWaalsContact C-N 3.34Å; M753-K755 PolarHBondContact O-N 3.15Å; M753-E756 PolarHBondContact O-N 3.46Å; M753-Q757 HydrophobicContact CG-CG 4.24Å; M753-Q757 WeakPolarHBondContact O-CB 3.42Å; M753-Q757 VanDerWaalsContact O-CG 3.26Å; M753-Q757 WeakPolarHBondContact O-CG 3.35Å; M753-Q757 PolarHBondContact O-N 3.34Å |
| 754 | I | 89.1 | Confident | 88.7 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 178.1 | -60.1 | 170.8 | 0 | 0 | 0 | 110.9 | Q736 L739 P749 Q750 K752 Q757 I758 | Q736-I754 HydrophobicContact CG-CD1 4.44Å; Q736-I754 HydrophobicContact CG-CG2 4.38Å; L739-I754 HydrophobicContact CD2-CB 4.41Å; L739-I754 HydrophobicContact CD2-CD1 3.87Å; L739-I754 HydrophobicContact CD2-CG1 3.72Å; L739-I754 HydrophobicContact CD2-CG2 3.9Å; P749-I754 HydrophobicContact CB-CD1 4.03Å; P749-I754 HydrophobicContact CB-CG1 4.02Å; P749-I754 HydrophobicContact CG-CD1 4.14Å; Q750-I754 WeakPolarHBondContact O-CG1 3.29Å; Q750-I754 PolarHBondContact O-N 3.22Å; K752-I754 VanDerWaalsContact C-N 3.29Å; K752-I754 PolarHBondContact O-N 3.28Å; I754-Q757 PolarHBondContact O-N 3.16Å; I754-I758 HydrophobicContact CG2-CD1 3.78Å; I754-I758 HydrophobicContact CG2-CG1 4.42Å; I754-I758 VanDerWaalsContact O-CG1 3.25Å; I754-I758 WeakPolarHBondContact O-CG1 3Å; I754-I758 PolarHBondContact O-N 3.34Å |
| 755 | K | 89.6 | Confident | 89 | Confident | 129 Ų | 129 | 65.4 Ų | 65.4 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.8 | -49.1 | 178.1 | -73.4 | -179.9 | 177.4 | -170.7 | 0 | 112 | K751 K752 M753 Q757 I758 E759 | K751-K755 WeakPolarHBondContact O-CG 3.17Å; K751-K755 PolarHBondContact O-N 3.24Å; K751-K755 VanDerWaalsContact O-N 3.15Å; K752-K755 PolarHBondContact O-N 3.25Å; K752-K755 VanDerWaalsContact O-N 3.16Å; M753-K755 VanDerWaalsContact C-N 3.34Å; M753-K755 PolarHBondContact O-N 3.15Å; K755-Q757 VanDerWaalsContact C-N 3.31Å; K755-Q757 PolarHBondContact O-N 3.39Å; K755-I758 PolarHBondContact O-N 2.94Å; K755-E759 WeakPolarHBondContact O-CG 3.44Å; K755-E759 PolarHBondContact O-N 3.12Å |
| 756 | E | 89.9 | Confident | 89.4 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 178.9 | -69.9 | 169.3 | -176.5 | 0 | 0 | 111.5 | K752 M753 E759 W760 | K752-E756 WeakPolarHBondContact CE-OE1 3.48Å; K752-E756 WeakPolarHBondContact CG-OE1 3.41Å; K752-E756 WeakPolarHBondContact O-CG 3.41Å; K752-E756 PolarHBondContact O-N 3.02Å; M753-E756 PolarHBondContact O-N 3.46Å; E756-E759 PolarHBondContact O-N 3.23Å; E756-W760 WeakPolarHBondContact O-CB 3.41Å; E756-W760 PolarHBondContact O-N 3.44Å |
| 757 | Q | 92.5 | Very high | 89.7 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.7 | -33.1 | 178.4 | -62.7 | -31.7 | -61.7 | 0 | 0 | 112.8 | T716 Q717 I720 M753 I754 K755 L761 | T716-Q757 HydrophobicContact CG2-CB 4.1Å; T716-Q757 HydrophobicContact CG2-CG 3.95Å; Q717-Q757 HydrophobicContact CG-CB 4.24Å; Q717-Q757 HydrophobicContact CG-CG 4.19Å; I720-Q757 HydrophobicContact CD1-CB 4.2Å; M753-Q757 HydrophobicContact CG-CG 4.24Å; M753-Q757 WeakPolarHBondContact O-CB 3.42Å; M753-Q757 VanDerWaalsContact O-CG 3.26Å; M753-Q757 WeakPolarHBondContact O-CG 3.35Å; M753-Q757 PolarHBondContact O-N 3.34Å; I754-Q757 PolarHBondContact O-N 3.16Å; K755-Q757 VanDerWaalsContact C-N 3.31Å; K755-Q757 PolarHBondContact O-N 3.39Å; Q757-L761 WeakPolarHBondContact O-CB 3.48Å; Q757-L761 WeakPolarHBondContact O-CG 3.38Å; Q757-L761 PolarHBondContact O-N 2.93Å |
| 758 | I | 91.5 | Very high | 90 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 172.1 | -72.3 | 168.1 | 0 | 0 | 0 | 110.3 | I720 L735 I754 K755 L761 I762 I767 F777 | I720-I758 HydrophobicContact CD1-CG1 4.09Å; L735-I758 HydrophobicContact CD2-CD1 3.92Å; L735-I758 HydrophobicContact CD2-CG1 4.34Å; I754-I758 HydrophobicContact CG2-CD1 3.78Å; I754-I758 HydrophobicContact CG2-CG1 4.42Å; I754-I758 VanDerWaalsContact O-CG1 3.25Å; I754-I758 WeakPolarHBondContact O-CG1 3Å; I754-I758 PolarHBondContact O-N 3.34Å; K755-I758 PolarHBondContact O-N 2.94Å; I758-L761 PolarHBondContact O-N 3.5Å; I758-I762 HydrophobicContact CG2-CD1 3.87Å; I758-I762 HydrophobicContact CG2-CG1 4.49Å; I758-I762 VanDerWaalsContact O-CG1 3.29Å; I758-I762 WeakPolarHBondContact O-CG1 3.45Å; I758-I762 PolarHBondContact O-N 3.41Å; I758-I767 HydrophobicContact CG2-CD1 4.06Å; I758-F777 HydrophobicContact CD1-CE2 4.04Å; I758-F777 HydrophobicContact CD1-CZ 4.1Å; I758-F777 HydrophobicContact CG2-CD1 4.37Å; I758-F777 HydrophobicContact CG2-CE1 3.68Å; I758-F777 HydrophobicContact CG2-CE2 4.44Å; I758-F777 HydrophobicContact CG2-CZ 3.71Å |
| 759 | E | 91.8 | Very high | 90.3 | Very high | 97 Ų | 97 | 69.7 Ų | 69.7 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 177.1 | -73.2 | 172 | 179.6 | 0 | 0 | 111.1 | K755 E756 L761 I762 E763 | K755-E759 WeakPolarHBondContact O-CG 3.44Å; K755-E759 PolarHBondContact O-N 3.12Å; E756-E759 PolarHBondContact O-N 3.23Å; E759-L761 VanDerWaalsContact C-N 3.31Å; E759-L761 PolarHBondContact O-N 3.07Å; E759-I762 WeakPolarHBondContact O-CB 3.49Å; E759-I762 PolarHBondContact O-N 3.38Å; E759-I762 VanDerWaalsContact O-N 3.1Å; E759-E763 WeakPolarHBondContact O-CG 3.41Å; E759-E763 PolarHBondContact O-N 3.45Å |
| 760 | W | 93.2 | Very high | 90.6 | Very high | 86 Ų | 86 | 70.3 Ų | 70.3 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.7 | -44 | 174.8 | -172.1 | 88.8 | 0 | 0 | 0 | 112.2 | Q717 E756 I762 E763 H764 Y766 | Q717-W760 HydrophobicContact CG-CE3 4.29Å; Q717-W760 HydrophobicContact CG-CZ3 4.49Å; E756-W760 WeakPolarHBondContact O-CB 3.41Å; E756-W760 PolarHBondContact O-N 3.44Å; W760-I762 VanDerWaalsContact C-N 3.33Å; W760-I762 PolarHBondContact O-N 3.46Å; W760-E763 PolarHBondContact O-N 2.94Å; W760-H764 AromaticContact CD1-CE1 3.6Å; W760-H764 AromaticContact CD1-ND1 3.9Å; W760-H764 AromaticContact CD2-CE1 3.89Å; W760-H764 AromaticContact CD2-ND1 3.63Å; W760-H764 AromaticContact CE2-CE1 3.3Å; W760-H764 AromaticContact CE2-ND1 3.48Å; W760-H764 AromaticContact CE2-NE2 3.69Å; W760-H764 AromaticContact CG-ND1 3.91Å; W760-H764 AromaticContact CZ2-CD2 3.76Å; W760-H764 AromaticContact CZ2-CE1 3.71Å; W760-H764 AromaticContact CZ2-CG 3.94Å; W760-H764 AromaticContact CZ2-ND1 3.89Å; W760-H764 AromaticContact CZ2-NE2 3.6Å; W760-H764 AromaticContact NE1-CE1 3.12Å; W760-H764 PolarHBondContact NE1-CE1 2.86Å; W760-H764 AromaticContact NE1-ND1 3.67Å; W760-H764 AromaticContact NE1-NE2 3.72Å; W760-H764 PolarHBondContact O-N 3.5Å; W760-H764 PolarHBondContact O-ND1 3.42Å; W760-Y766 HydrophobicContact CH2-CE2 4.4Å; W760-Y766 HydrophobicContact CZ3-CD2 4.42Å; W760-Y766 HydrophobicContact CZ3-CE2 4.14Å |
| 761 | L | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68 | -29.6 | 178.2 | -71.6 | 171 | 0 | 0 | 0 | 113.3 | I720 I721 Q757 I758 E759 K765 Y766 I767 | I720-L761 HydrophobicContact CB-CD1 3.72Å; I720-L761 HydrophobicContact CD1-CD1 4.1Å; I720-L761 HydrophobicContact CG2-CD1 3.4Å; I720-L761 VanDerWaalsContact CG2-CD1 3.4Å; I721-L761 HydrophobicContact CD1-CD2 3.69Å; I721-L761 HydrophobicContact CG1-CD1 4.38Å; I721-L761 HydrophobicContact CG1-CD2 3.75Å; Q757-L761 WeakPolarHBondContact O-CB 3.48Å; Q757-L761 WeakPolarHBondContact O-CG 3.38Å; Q757-L761 PolarHBondContact O-N 2.93Å; I758-L761 PolarHBondContact O-N 3.5Å; E759-L761 VanDerWaalsContact C-N 3.31Å; E759-L761 PolarHBondContact O-N 3.07Å; L761-K765 PolarHBondContact O-N 3.23Å; L761-Y766 HydrophobicContact CD2-CD2 3.68Å; L761-Y766 HydrophobicContact CD2-CE2 4.45Å; L761-Y766 HydrophobicContact CD2-CG 4.02Å; L761-Y766 PolarHBondContact O-N 2.86Å; L761-I767 HydrophobicContact CB-CD1 3.81Å; L761-I767 HydrophobicContact CB-CG1 3.85Å; L761-I767 HydrophobicContact CD1-CD1 4.47Å; L761-I767 PolarHBondContact O-N 3.49Å |
| 762 | I | 92 | Very high | 90.7 | Very high | 48 Ų | 48 | 73.7 Ų | 73.7 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70 | -48.3 | 173.3 | -67.4 | 164.7 | 0 | 0 | 0 | 110.1 | I758 E759 W760 H764 K765 I767 R769 F777 | I758-I762 HydrophobicContact CG2-CD1 3.87Å; I758-I762 HydrophobicContact CG2-CG1 4.49Å; I758-I762 VanDerWaalsContact O-CG1 3.29Å; I758-I762 WeakPolarHBondContact O-CG1 3.45Å; I758-I762 PolarHBondContact O-N 3.41Å; E759-I762 WeakPolarHBondContact O-CB 3.49Å; E759-I762 PolarHBondContact O-N 3.38Å; E759-I762 VanDerWaalsContact O-N 3.1Å; W760-I762 VanDerWaalsContact C-N 3.33Å; W760-I762 PolarHBondContact O-N 3.46Å; I762-H764 PolarHBondContact O-N 3.28Å; I762-K765 PolarHBondContact O-N 2.82Å; I762-I767 WeakPolarHBondContact CA-O 3.3Å; I762-I767 HydrophobicContact CG1-CD1 4.03Å; I762-I767 HydrophobicContact CG1-CG1 3.66Å; I762-R769 HydrophobicContact CD1-CG 3.97Å; I762-F777 HydrophobicContact CD1-CE1 4.47Å |
| 763 | E | 92.9 | Very high | 90.8 | Very high | 143 Ų | 143 | 71.5 Ų | 71.5 | 67% | 0.668 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57.9 | -39 | 178.2 | -71.6 | 176 | 176.6 | 0 | 0 | 111.9 | E759 W760 K765 | E759-E763 WeakPolarHBondContact O-CG 3.41Å; E759-E763 PolarHBondContact O-N 3.45Å; W760-E763 PolarHBondContact O-N 2.94Å; E763-K765 PolarHBondContact O-N 3.45Å |
| 764 | H | 92.8 | Very high | 90.8 | Very high | 94 Ų | 94 | 76.3 Ų | 76.3 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 9.4 | 178.6 | -66.1 | 72.6 | 0 | 0 | 0 | 113.6 | W760 I762 Y766 | W760-H764 AromaticContact CD1-CE1 3.6Å; W760-H764 AromaticContact CD1-ND1 3.9Å; W760-H764 AromaticContact CD2-CE1 3.89Å; W760-H764 AromaticContact CD2-ND1 3.63Å; W760-H764 AromaticContact CE2-CE1 3.3Å; W760-H764 AromaticContact CE2-ND1 3.48Å; W760-H764 AromaticContact CE2-NE2 3.69Å; W760-H764 AromaticContact CG-ND1 3.91Å; W760-H764 AromaticContact CZ2-CD2 3.76Å; W760-H764 AromaticContact CZ2-CE1 3.71Å; W760-H764 AromaticContact CZ2-CG 3.94Å; W760-H764 AromaticContact CZ2-ND1 3.89Å; W760-H764 AromaticContact CZ2-NE2 3.6Å; W760-H764 AromaticContact NE1-CE1 3.12Å; W760-H764 PolarHBondContact NE1-CE1 2.86Å; W760-H764 AromaticContact NE1-ND1 3.67Å; W760-H764 AromaticContact NE1-NE2 3.72Å; W760-H764 PolarHBondContact O-N 3.5Å; W760-H764 PolarHBondContact O-ND1 3.42Å; I762-H764 PolarHBondContact O-N 3.28Å; H764-Y766 VanDerWaalsContact C-N 3.28Å; H764-Y766 HydrophobicContact CB-CD2 3.72Å; H764-Y766 HydrophobicContact CB-CE2 3.74Å; H764-Y766 PolarHBondContact O-N 2.96Å |
| 765 | K | 91.3 | Very high | 90.8 | Very high | 165 Ų | 165 | 81 Ų | 81 | 72% | 0.717 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 27.1 | 174.5 | -53 | 178.6 | 179.5 | 177.8 | 0 | 114.9 | L761 I762 E763 M780 | L761-K765 PolarHBondContact O-N 3.23Å; I762-K765 PolarHBondContact O-N 2.82Å; E763-K765 PolarHBondContact O-N 3.45Å; K765-M780 VanDerWaalsContact O-CB 3.25Å; K765-M780 WeakPolarHBondContact O-CB 3.32Å |
| 766 | Y | 90.5 | Very high | 90.8 | Very high | 99 Ų | 99 | 75.6 Ų | 75.6 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -79.1 | -33.2 | 171 | -71.5 | -74.5 | 0 | 0 | 0 | 112.1 | I721 W760 L761 H764 Y779 M780 | I721-Y766 HydrophobicContact CD1-CD1 4.26Å; I721-Y766 HydrophobicContact CD1-CE1 4.46Å; I721-Y766 HydrophobicContact CD1-CG 4.38Å; W760-Y766 HydrophobicContact CH2-CE2 4.4Å; W760-Y766 HydrophobicContact CZ3-CD2 4.42Å; W760-Y766 HydrophobicContact CZ3-CE2 4.14Å; L761-Y766 HydrophobicContact CD2-CD2 3.68Å; L761-Y766 HydrophobicContact CD2-CE2 4.45Å; L761-Y766 HydrophobicContact CD2-CG 4.02Å; L761-Y766 PolarHBondContact O-N 2.86Å; H764-Y766 VanDerWaalsContact C-N 3.28Å; H764-Y766 HydrophobicContact CB-CD2 3.72Å; H764-Y766 HydrophobicContact CB-CE2 3.74Å; H764-Y766 PolarHBondContact O-N 2.96Å; Y766-Y779 WeakPolarHBondContact O-CD2 3.38Å; Y766-M780 PolarHBondContact O-N 3.41Å |
| 767 | I | 92.9 | Very high | 91 | Very high | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157.2 | -180 | 62.7 | 177.9 | 0 | 0 | 0 | 109.9 | M724 I758 L761 I762 I778 Y779 | M724-I767 HydrophobicContact CB-CG2 4.07Å; M724-I767 HydrophobicContact CE-CB 4.11Å; M724-I767 HydrophobicContact CE-CG2 3.62Å; M724-I767 HydrophobicContact CG-CG2 3.77Å; M724-I767 HydrophobicContact SD-CG2 4.36Å; I758-I767 HydrophobicContact CG2-CD1 4.06Å; L761-I767 HydrophobicContact CB-CD1 3.81Å; L761-I767 HydrophobicContact CB-CG1 3.85Å; L761-I767 HydrophobicContact CD1-CD1 4.47Å; L761-I767 PolarHBondContact O-N 3.49Å; I762-I767 WeakPolarHBondContact CA-O 3.3Å; I762-I767 HydrophobicContact CG1-CD1 4.03Å; I762-I767 HydrophobicContact CG1-CG1 3.66Å; I767-I778 CarbonylContact C-O 3.6Å; I767-I778 VanDerWaalsContact CA-O 3.29Å; I767-I778 WeakPolarHBondContact CA-O 3.25Å; I767-Y779 HydrophobicContact CG2-CD2 4.41Å |
| 768 | K | 92.6 | Very high | 91 | Very high | 80 Ų | 80 | 74.5 Ų | 74.5 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 158 | 170 | 67.2 | 168.3 | 166.9 | 176.6 | 0 | 110.5 | F777 I778 M780 | K768-F777 CarbonylContact O-C 3.52Å; K768-F777 WeakPolarHBondContact O-CA 3.38Å; K768-I778 HydrophobicContact CG-CB 3.83Å; K768-I778 HydrophobicContact CG-CG2 4.45Å; K768-I778 PolarHBondContact N-O 3.11Å; K768-I778 PolarHBondContact O-N 3.33Å; K768-M780 HydrophobicContact CB-CG 3.75Å; K768-M780 HydrophobicContact CB-SD 3.78Å; K768-M780 HydrophobicContact CD-CE 4.44Å; K768-M780 HydrophobicContact CD-CG 4.35Å; K768-M780 HydrophobicContact CD-SD 3.34Å; K768-M780 WeakPolarHBondContact CD-SD 3.45Å; K768-M780 HydrophobicContact CG-CG 3.77Å; K768-M780 HydrophobicContact CG-SD 3.45Å; K768-M780 WeakPolarHBondContact CG-SD 3.42Å |
| 769 | R | 92.9 | Very high | 91.1 | Very high | 110 Ų | 110 | 75.7 Ų | 75.7 | 42% | 0.415 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 146.7 | 166.2 | -64.5 | -177.4 | -175.4 | 178.8 | 2.4 | 109.2 | I762 F777 | I762-R769 HydrophobicContact CD1-CG 3.97Å; R769-F777 HydrophobicContact CG-CD1 4.12Å; R769-F777 HydrophobicContact CG-CE1 4.03Å |
| 770 | D | 90.9 | Very high | 90.8 | Very high | 22 Ų | 22 | 75.4 Ų | 75.4 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | trans | -65.7 | 144.2 | 171.3 | -159.4 | -48.5 | 0 | 0 | 0 | 109.8 | R729 S772 D773 T776 I778 | R729-D770 IonicContact CZ-OD2 3.73Å; R729-D770 IonicContact NE-OD2 2.83Å; R729-D770 PolarHBondContact NE-OD2 3.41Å; R729-D770 IonicContact NH2-OD2 3.21Å; R729-D770 PolarHBondContact NH2-OD2 3.02Å; D770-S772 PolarHBondContact O-N 3.42Å; D770-S772 PolarHBondContact OD1-N 2.99Å; D770-S772 PolarHBondContact OD1-OG 3.05Å; D770-D773 WeakPolarHBondContact CB-O 3.06Å; D770-T776 HydrophobicContact CB-CG2 4.07Å; D770-T776 PolarHBondContact N-O 2.95Å; D770-I778 HydrophobicContact CB-CD1 4.04Å; D770-I778 HydrophobicContact CB-CG1 4.44Å | ||
| 771 | E | 87.4 | Confident | 89.7 | Confident | 186 Ų | 186 | 76.6 Ų | 76.6 | 87% | 0.869 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -70.7 | -26.1 | 178 | -67.4 | 173.2 | -161.8 | 0 | 0 | 111.3 | ||
| 772 | S | 86 | Confident | 89.5 | Confident | 95 Ų | 95 | 80.4 Ų | 80.4 | 66% | 0.664 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -90.3 | -28.1 | -179.9 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | D770 | D770-S772 PolarHBondContact O-N 3.42Å; D770-S772 PolarHBondContact OD1-N 2.99Å; D770-S772 PolarHBondContact OD1-OG 3.05Å |
| 773 | D | 88.6 | Confident | 89.4 | Confident | 58 Ų | 58 | 82.1 Ų | 82.1 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | trans | -147.4 | 114.4 | -177.6 | 175.2 | 25.3 | 0 | 0 | 0 | 112 | D770 N775 T776 | D770-D773 WeakPolarHBondContact CB-O 3.06Å; D773-N775 PolarHBondContact O-N 3.31Å; D773-N775 VanDerWaalsContact O-N 3.16Å; D773-N775 WeakPolarHBondContact OD1-CB 3.44Å; D773-N775 PolarHBondContact OD1-N 3.5Å; D773-T776 PolarHBondContact O-N 3.35Å; D773-T776 PolarHBondContact OD2-N 3.23Å; D773-T776 PolarHBondContact OD2-OG1 3.22Å | ||
| 774 | I | 85.6 | Confident | 89.2 | Confident | 113 Ų | 113 | 78.7 Ų | 78.7 | 58% | 0.579 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.6 | 178.7 | -64.4 | 173.8 | 0 | 0 | 0 | 112 | T776 | I774-T776 VanDerWaalsContact C-N 3.27Š|
| 775 | N | 88.9 | Confident | 89 | Confident | 99 Ų | 99 | 77.8 Ų | 77.8 | 53% | 0.529 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1 | 177.6 | -65.3 | -49.4 | 0 | 0 | 0 | 113.4 | S731 N732 D773 | S731-N775 CarbonylContact C-O 3.56Å; S731-N775 WeakPolarHBondContact CA-O 3.17Å; N732-N775 WeakPolarHBondContact CB-O 3.48Å; N732-N775 PolarHBondContact N-O 3.35Å; D773-N775 PolarHBondContact O-N 3.31Å; D773-N775 VanDerWaalsContact O-N 3.16Å; D773-N775 WeakPolarHBondContact OD1-CB 3.44Å; D773-N775 PolarHBondContact OD1-N 3.5Å |
| 776 | T | 90.6 | Very high | 88.8 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 10% | 0.104 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.4 | 177.6 | -65 | 0 | 0 | 0 | 0 | 110.2 | R729 D770 D773 I774 | R729-T776 HydrophobicContact CG-CG2 3.62Å; D770-T776 HydrophobicContact CB-CG2 4.07Å; D770-T776 PolarHBondContact N-O 2.95Å; D773-T776 PolarHBondContact O-N 3.35Å; D773-T776 PolarHBondContact OD2-N 3.23Å; D773-T776 PolarHBondContact OD2-OG1 3.22Å; I774-T776 VanDerWaalsContact C-N 3.27Å |
| 777 | F | 93.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.3 | 179.2 | -55.5 | -63.9 | 0 | 0 | 0 | 110.4 | M724 R729 I730 N732 L735 I758 I762 K768 R769 | M724-F777 HydrophobicContact CE-CB 3.65Å; M724-F777 HydrophobicContact SD-CB 4.02Å; R729-F777 VanDerWaalsContact CA-O 3.27Å; R729-F777 WeakPolarHBondContact CA-O 3.31Å; I730-F777 PolarHBondContact N-O 3.44Å; I730-F777 PolarHBondContact O-N 3.01Å; N732-F777 HydrophobicContact CB-CE2 3.81Å; N732-F777 HydrophobicContact CB-CZ 4.38Å; N732-F777 WeakPolarHBondContact ND2-CE2 3.37Å; N732-F777 WeakPolarHBondContact ND2-CZ 3.29Å; L735-F777 HydrophobicContact CD2-CD2 3.8Å; L735-F777 HydrophobicContact CD2-CE2 4Å; I758-F777 HydrophobicContact CD1-CE2 4.04Å; I758-F777 HydrophobicContact CD1-CZ 4.1Å; I758-F777 HydrophobicContact CG2-CD1 4.37Å; I758-F777 HydrophobicContact CG2-CE1 3.68Å; I758-F777 HydrophobicContact CG2-CE2 4.44Å; I758-F777 HydrophobicContact CG2-CZ 3.71Å; I762-F777 HydrophobicContact CD1-CE1 4.47Å; K768-F777 CarbonylContact O-C 3.52Å; K768-F777 WeakPolarHBondContact O-CA 3.38Å; R769-F777 HydrophobicContact CG-CD1 4.12Å; R769-F777 HydrophobicContact CG-CE1 4.03Å |
| 778 | I | 91.9 | Very high | 88.4 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 21% | 0.205 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.1 | 177.7 | -55.8 | 169.4 | 0 | 0 | 0 | 108.8 | K728 R729 I767 K768 D770 | K728-I778 CarbonylContact O-C 3.58Å; K728-I778 WeakPolarHBondContact O-CA 3.18Å; R729-I778 HydrophobicContact CG-CG1 4.2Å; I767-I778 CarbonylContact C-O 3.6Å; I767-I778 VanDerWaalsContact CA-O 3.29Å; I767-I778 WeakPolarHBondContact CA-O 3.25Å; K768-I778 HydrophobicContact CG-CB 3.83Å; K768-I778 HydrophobicContact CG-CG2 4.45Å; K768-I778 PolarHBondContact N-O 3.11Å; K768-I778 PolarHBondContact O-N 3.33Å; D770-I778 HydrophobicContact CB-CD1 4.04Å; D770-I778 HydrophobicContact CB-CG1 4.44Å |
| 779 | Y | 94 | Very high | 88.1 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 13% | 0.125 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137 | 176.8 | -175.4 | -109.3 | 0 | 0 | 0 | 111.5 | M724 K725 K728 Y766 I767 A781 | M724-Y779 HydrophobicContact CB-CD2 3.77Å; M724-Y779 HydrophobicContact CB-CG 4.38Å; M724-Y779 WeakPolarHBondContact O-CB 3.32Å; K725-Y779 WeakPolarHBondContact CE-OH 3.49Å; K725-Y779 HydrophobicContact CG-CD2 4.35Å; K725-Y779 HydrophobicContact CG-CE1 3.85Å; K725-Y779 HydrophobicContact CG-CE2 3.63Å; K725-Y779 WeakPolarHBondContact CG-OH 3.42Å; K728-Y779 HydrophobicContact CD-CD1 3.97Å; K728-Y779 HydrophobicContact CD-CG 4.47Å; K728-Y779 PolarHBondContact O-N 3.42Å; Y766-Y779 WeakPolarHBondContact O-CD2 3.38Å; I767-Y779 HydrophobicContact CG2-CD2 4.41Å; Y779-A781 HydrophobicContact CD1-CB 4.48Å; Y779-A781 VanDerWaalsContact CD1-O 3.22Å; Y779-A781 WeakPolarHBondContact CD1-O 3.26Å; Y779-A781 HydrophobicContact CE1-CB 3.59Å; Y779-A781 WeakPolarHBondContact CE1-O 3.43Å; Y779-A781 HydrophobicContact CE2-CB 4.47Å; Y779-A781 VanDerWaalsContact OH-CB 3.32Å; Y779-A781 WeakPolarHBondContact OH-CB 3.39Å |
| 780 | M | 86 | Confident | 87.7 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | trans | -105.4 | 5.4 | -168.3 | -77.2 | -72.2 | -72.9 | 0 | 0 | 115.4 | K765 Y766 K768 | K765-M780 VanDerWaalsContact O-CB 3.25Å; K765-M780 WeakPolarHBondContact O-CB 3.32Å; Y766-M780 PolarHBondContact O-N 3.41Å; K768-M780 HydrophobicContact CB-CG 3.75Å; K768-M780 HydrophobicContact CB-SD 3.78Å; K768-M780 HydrophobicContact CD-CE 4.44Å; K768-M780 HydrophobicContact CD-CG 4.35Å; K768-M780 HydrophobicContact CD-SD 3.34Å; K768-M780 WeakPolarHBondContact CD-SD 3.45Å; K768-M780 HydrophobicContact CG-CG 3.77Å; K768-M780 HydrophobicContact CG-SD 3.45Å; K768-M780 WeakPolarHBondContact CG-SD 3.42Å | ||
| 781 | A | 69.3 | Low | 87.4 | Confident | 110 Ų | 110 | 76.8 Ų | 76.8 | 91% | 0.909 | 43% | 0.433 | S | S | * | . | trans | -118.2 | 0 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y779 | Y779-A781 HydrophobicContact CD1-CB 4.48Å; Y779-A781 VanDerWaalsContact CD1-O 3.22Å; Y779-A781 WeakPolarHBondContact CD1-O 3.26Å; Y779-A781 HydrophobicContact CE1-CB 3.59Å; Y779-A781 WeakPolarHBondContact CE1-O 3.43Å; Y779-A781 HydrophobicContact CE2-CB 4.47Å; Y779-A781 VanDerWaalsContact OH-CB 3.32Å; Y779-A781 WeakPolarHBondContact OH-CB 3.39Å |
Retrieved 781 of 781 residues in 1152.9 ms
(Link to these results)