| 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 | 47.5 | Very low | 70.7 | Confident | 241 Ų | 241 | 98.5 Ų | 98.5 | 100% | 1.187 | 58% | 0.58 | S | S | * | * | 0 | 123.8 | 0 | -66.4 | -177.9 | 176.2 | 0 | 0 | 106.3 | K3 | M1-K3 PolarHBondContact O-N 3.43Š| |||
| 2 | A | 55 | Low | 71.8 | Confident | 107 Ų | 107 | 94.4 Ų | 94.4 | 88% | 0.884 | 55% | 0.551 | S | S | * | * | trans | -59.5 | 126.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | D4 | A2-D4 PolarHBondContact O-N 3.47Š| ||
| 3 | K | 56.9 | Low | 72.7 | Confident | 156 Ų | 156 | 95.7 Ų | 95.7 | 68% | 0.678 | 55% | 0.546 | S | S | * | . | trans | -63.5 | 134.8 | 172.2 | -69.6 | 179.3 | 175.2 | -177.5 | 0 | 107.5 | M1 P5 E8 | M1-K3 PolarHBondContact O-N 3.43Å; K3-P5 VanDerWaalsContact O-CD 3.23Å; K3-P5 WeakPolarHBondContact O-CD 3.3Å; K3-E8 HydrophobicContact CB-CG 4.22Å; K3-E8 WeakPolarHBondContact CB-OE1 3.43Å; K3-E8 WeakPolarHBondContact CD-OE1 3.37Å; K3-E8 IonicContact NZ-OE1 3.97Å | ||
| 4 | D | 73.4 | Confident | 73.4 | Confident | 85 Ų | 85 | 90.3 Ų | 90.3 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | trans | -62 | 114.8 | 177.9 | -176.7 | -7.7 | 0 | 0 | 0 | 108.6 | A2 L6 A7 E8 | A2-D4 PolarHBondContact O-N 3.47Å; D4-L6 PolarHBondContact O-N 3.43Å; D4-L6 VanDerWaalsContact O-N 3.11Å; D4-L6 WeakPolarHBondContact OD1-CB 3.39Å; D4-L6 PolarHBondContact OD1-N 3.21Å; D4-A7 HydrophobicContact CB-CB 3.92Å; D4-A7 WeakPolarHBondContact O-CB 3.45Å; D4-A7 PolarHBondContact O-N 2.98Å; D4-E8 PolarHBondContact O-N 3.42Å; D4-E8 VanDerWaalsContact O-N 3.07Å | ||
| 5 | P | 76.1 | Confident | 74 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.2 | -26 | -178.3 | -21.7 | 32.2 | 0 | 0 | 0 | 112.8 | K3 A9 | K3-P5 VanDerWaalsContact O-CD 3.23Å; K3-P5 WeakPolarHBondContact O-CD 3.3Å; P5-A9 PolarHBondContact O-N 3.3Å |
| 6 | L | 73.3 | Confident | 74.7 | Confident | 60 Ų | 60 | 98.4 Ų | 98.4 | 31% | 0.314 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.2 | -42.9 | 176.9 | -68.5 | 157.4 | 0 | 0 | 0 | 111 | D4 E8 A9 G10 L11 F13 L19 | D4-L6 PolarHBondContact O-N 3.43Å; D4-L6 VanDerWaalsContact O-N 3.11Å; D4-L6 WeakPolarHBondContact OD1-CB 3.39Å; D4-L6 PolarHBondContact OD1-N 3.21Å; L6-E8 VanDerWaalsContact C-N 3.31Å; L6-E8 PolarHBondContact O-N 2.9Å; L6-A9 CarbonylContact O-C 3.22Å; L6-A9 WeakPolarHBondContact O-CA 3.4Å; L6-A9 PolarHBondContact O-N 2.9Å; L6-G10 PolarHBondContact O-N 3.19Å; L6-L11 CarbonylContact C-O 3.59Å; L6-L11 VanDerWaalsContact C-O 3.22Å; L6-L11 HydrophobicContact CB-CB 4.32Å; L6-L11 HydrophobicContact CD2-CB 4.24Å; L6-L11 HydrophobicContact CD2-CD1 4.14Å; L6-L11 PolarHBondContact O-N 2.97Å; L6-L11 VanDerWaalsContact O-O 3.11Å; L6-F13 HydrophobicContact CD1-CD2 4.37Å; L6-F13 HydrophobicContact CD1-CE2 3.56Å; L6-F13 HydrophobicContact CD1-CZ 4.31Å; L6-L19 HydrophobicContact CD2-CD1 4.26Å |
| 7 | A | 72.1 | Confident | 75.1 | Confident | 53 Ų | 53 | 100.6 Ų | 100.6 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -35.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | D4 A9 G10 | D4-A7 HydrophobicContact CB-CB 3.92Å; D4-A7 WeakPolarHBondContact O-CB 3.45Å; D4-A7 PolarHBondContact O-N 2.98Å; A7-A9 VanDerWaalsContact C-N 3.27Å; A7-A9 PolarHBondContact O-N 2.98Å; A7-G10 PolarHBondContact O-N 3.44Å; A7-G10 VanDerWaalsContact O-N 3.17Å |
| 8 | E | 77.3 | Confident | 75.7 | Confident | 131 Ų | 131 | 101.6 Ų | 101.6 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.9 | -26.8 | 173 | -70.3 | -168.1 | 157 | 0 | 0 | 113.1 | K3 D4 L6 G10 | K3-E8 HydrophobicContact CB-CG 4.22Å; K3-E8 WeakPolarHBondContact CB-OE1 3.43Å; K3-E8 WeakPolarHBondContact CD-OE1 3.37Å; K3-E8 IonicContact NZ-OE1 3.97Å; D4-E8 PolarHBondContact O-N 3.42Å; D4-E8 VanDerWaalsContact O-N 3.07Å; L6-E8 VanDerWaalsContact C-N 3.31Å; L6-E8 PolarHBondContact O-N 2.9Å; E8-G10 VanDerWaalsContact C-N 3.33Å |
| 9 | A | 81.3 | Confident | 76.3 | Confident | 71 Ų | 71 | 101.3 Ų | 101.3 | 59% | 0.587 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 1.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P5 L6 A7 L11 | P5-A9 PolarHBondContact O-N 3.3Å; L6-A9 CarbonylContact O-C 3.22Å; L6-A9 WeakPolarHBondContact O-CA 3.4Å; L6-A9 PolarHBondContact O-N 2.9Å; A7-A9 VanDerWaalsContact C-N 3.27Å; A7-A9 PolarHBondContact O-N 2.98Å; A9-L11 VanDerWaalsContact C-N 3.32Å; A9-L11 HydrophobicContact CB-CD1 4.29Å; A9-L11 HydrophobicContact CB-CG 4.4Å |
| 10 | G | 80.3 | Confident | 76.5 | Confident | 31 Ų | 31 | 101.3 Ų | 101.3 | 32% | 0.32 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 24.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L6 A7 E8 | L6-G10 PolarHBondContact O-N 3.19Å; A7-G10 PolarHBondContact O-N 3.44Å; A7-G10 VanDerWaalsContact O-N 3.17Å; E8-G10 VanDerWaalsContact C-N 3.33Å |
| 11 | L | 84.4 | Confident | 77 | Confident | 49 Ų | 49 | 102.4 Ų | 102.4 | 26% | 0.257 | 55% | 0.553 | S | S | . | * | trans | -107 | 130.7 | 178.3 | -63.2 | 171.7 | 0 | 0 | 0 | 110 | L6 A9 L19 R20 V21 | L6-L11 CarbonylContact C-O 3.59Å; L6-L11 VanDerWaalsContact C-O 3.22Å; L6-L11 HydrophobicContact CB-CB 4.32Å; L6-L11 HydrophobicContact CD2-CB 4.24Å; L6-L11 HydrophobicContact CD2-CD1 4.14Å; L6-L11 PolarHBondContact O-N 2.97Å; L6-L11 VanDerWaalsContact O-O 3.11Å; A9-L11 VanDerWaalsContact C-N 3.32Å; A9-L11 HydrophobicContact CB-CD1 4.29Å; A9-L11 HydrophobicContact CB-CG 4.4Å; L11-L19 HydrophobicContact CB-CD1 4.14Å; L11-L19 HydrophobicContact CB-CG 4.47Å; L11-L19 HydrophobicContact CD1-CD2 4.25Å; L11-L19 HydrophobicContact CD2-CD2 4.17Å; L11-L19 HydrophobicContact CD2-CG 4.34Å; L11-R20 CarbonylContact C-O 3.55Å; L11-R20 WeakPolarHBondContact CA-O 3.29Å; L11-V21 HydrophobicContact CD2-CG2 4.23Å | ||
| 12 | H | 84.4 | Confident | 78.7 | Confident | 49 Ų | 49 | 95.2 Ų | 95.2 | 23% | 0.227 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 146.6 | -175.1 | -55.4 | -92.9 | 0 | 0 | 0 | 109.8 | L19 R20 | H12-L19 CarbonylContact O-C 3.49Å; H12-R20 PolarHBondContact N-O 3.06Å; H12-R20 WeakPolarHBondContact O-CA 3.49Å; H12-R20 WeakPolarHBondContact O-CB 3.46Å; H12-R20 PolarHBondContact O-N 3.31Å |
| 13 | F | 83.1 | Confident | 80.2 | Confident | 111 Ų | 111 | 94.4 Ų | 94.4 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.4 | 168.4 | -75.5 | -71 | 0 | 0 | 0 | 110.1 | L6 K18 L19 | L6-F13 HydrophobicContact CD1-CD2 4.37Å; L6-F13 HydrophobicContact CD1-CE2 3.56Å; L6-F13 HydrophobicContact CD1-CZ 4.31Å; F13-K18 WeakPolarHBondContact CA-O 3.5Å; F13-L19 HydrophobicContact CD1-CD1 4.28Å; F13-L19 HydrophobicContact CE1-CB 4.3Å; F13-L19 HydrophobicContact CE1-CD1 3.76Å; F13-L19 HydrophobicContact CE2-CD1 4.34Å; F13-L19 HydrophobicContact CZ-CD1 3.79Å |
| 14 | D | 82.1 | Confident | 81.5 | Confident | 20 Ų | 20 | 88.9 Ų | 88.9 | 11% | 0.107 | 48% | 0.477 | C | S | . | . | trans | -84.4 | 174.8 | 169.1 | 70.3 | 15 | 0 | 0 | 0 | 112.5 | L16 N17 K18 R20 P24 | D14-L16 PolarHBondContact O-N 3.49Å; D14-L16 WeakPolarHBondContact OD1-CA 3.3Å; D14-L16 WeakPolarHBondContact OD1-CB 3.49Å; D14-L16 PolarHBondContact OD1-N 3.38Å; D14-N17 PolarHBondContact O-N 3.19Å; D14-N17 PolarHBondContact OD1-N 2.96Å; D14-K18 PolarHBondContact N-O 3.4Å; D14-K18 WeakPolarHBondContact OD1-CB 3.29Å; D14-K18 PolarHBondContact OD1-N 3.47Å; D14-R20 HydrophobicContact CB-CG 4.08Å; D14-R20 IonicContact OD2-CZ 3.34Å; D14-R20 IonicContact OD2-NE 3.03Å; D14-R20 PolarHBondContact OD2-NE 2.95Å; D14-R20 IonicContact OD2-NH2 3.41Å; D14-R20 PolarHBondContact OD2-NH2 3.25Å; D14-P24 HydrophobicContact CB-CB 4.28Å; D14-P24 HydrophobicContact CB-CG 3.89Å | ||
| 15 | E | 82.3 | Confident | 82.1 | Confident | 185 Ų | 185 | 90 Ų | 90 | 86% | 0.864 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11.9 | 179.5 | -59 | -176.4 | 166.1 | 0 | 0 | 114 | ||
| 16 | L | 85.3 | Confident | 82.6 | Confident | 126 Ų | 126 | 88.2 Ų | 88.2 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 15.1 | 176.8 | -58.8 | 176.7 | 0 | 0 | 0 | 112.3 | D14 K18 | D14-L16 PolarHBondContact O-N 3.49Å; D14-L16 WeakPolarHBondContact OD1-CA 3.3Å; D14-L16 WeakPolarHBondContact OD1-CB 3.49Å; D14-L16 PolarHBondContact OD1-N 3.38Å; L16-K18 HydrophobicContact CB-CG 4.33Å; L16-K18 PolarHBondContact O-N 3.4Å |
| 17 | N | 82.7 | Confident | 83.3 | Confident | 136 Ų | 136 | 87.5 Ų | 87.5 | 73% | 0.727 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 57.4 | 27 | -175.9 | -60.5 | -52.9 | 0 | 0 | 0 | 114 | D14 | D14-N17 PolarHBondContact O-N 3.19Å; D14-N17 PolarHBondContact OD1-N 2.96Å |
| 18 | K | 84.7 | Confident | 84.1 | Confident | 117 Ų | 117 | 89.9 Ų | 89.9 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | trans | -90.4 | 137.6 | 173.9 | -57.8 | -179.4 | 179.8 | 178 | 0 | 109.8 | F13 D14 L16 | F13-K18 WeakPolarHBondContact CA-O 3.5Å; D14-K18 PolarHBondContact N-O 3.4Å; D14-K18 WeakPolarHBondContact OD1-CB 3.29Å; D14-K18 PolarHBondContact OD1-N 3.47Å; L16-K18 HydrophobicContact CB-CG 4.33Å; L16-K18 PolarHBondContact O-N 3.4Å | ||
| 19 | L | 86.9 | Confident | 84.7 | Confident | 96 Ų | 96 | 89.1 Ų | 89.1 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 129.5 | 175.1 | -160.9 | 79.1 | 0 | 0 | 0 | 110 | L6 L11 H12 F13 | L6-L19 HydrophobicContact CD2-CD1 4.26Å; L11-L19 HydrophobicContact CB-CD1 4.14Å; L11-L19 HydrophobicContact CB-CG 4.47Å; L11-L19 HydrophobicContact CD1-CD2 4.25Å; L11-L19 HydrophobicContact CD2-CD2 4.17Å; L11-L19 HydrophobicContact CD2-CG 4.34Å; H12-L19 CarbonylContact O-C 3.49Å; F13-L19 HydrophobicContact CD1-CD1 4.28Å; F13-L19 HydrophobicContact CE1-CB 4.3Å; F13-L19 HydrophobicContact CE1-CD1 3.76Å; F13-L19 HydrophobicContact CE2-CD1 4.34Å; F13-L19 HydrophobicContact CZ-CD1 3.79Å |
| 20 | R | 82 | Confident | 85.2 | Confident | 101 Ų | 101 | 89.6 Ų | 89.6 | 38% | 0.381 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.2 | -178.8 | -60.7 | -69.3 | -177.5 | 170.5 | 2.6 | 109.7 | L11 H12 D14 L22 | L11-R20 CarbonylContact C-O 3.55Å; L11-R20 WeakPolarHBondContact CA-O 3.29Å; H12-R20 PolarHBondContact N-O 3.06Å; H12-R20 WeakPolarHBondContact O-CA 3.49Å; H12-R20 WeakPolarHBondContact O-CB 3.46Å; H12-R20 PolarHBondContact O-N 3.31Å; D14-R20 HydrophobicContact CB-CG 4.08Å; D14-R20 IonicContact OD2-CZ 3.34Å; D14-R20 IonicContact OD2-NE 3.03Å; D14-R20 PolarHBondContact OD2-NE 2.95Å; D14-R20 IonicContact OD2-NH2 3.41Å; D14-R20 PolarHBondContact OD2-NH2 3.25Å; R20-L22 WeakPolarHBondContact CB-O 3.47Å |
| 21 | V | 86.6 | Confident | 85.8 | Confident | 126 Ų | 126 | 95 Ų | 95 | 76% | 0.764 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -95.3 | -10.1 | 175.7 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | L11 | L11-V21 HydrophobicContact CD2-CG2 4.23Š|
| 22 | L | 82.5 | Confident | 86.3 | Confident | 90 Ų | 90 | 96.8 Ų | 96.8 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -119.6 | 140.6 | 174.9 | -176.1 | 63.3 | 0 | 0 | 0 | 108.4 | R20 P24 V26 D27 | R20-L22 WeakPolarHBondContact CB-O 3.47Å; L22-P24 WeakPolarHBondContact O-CD 3.41Å; L22-V26 HydrophobicContact CD1-CG1 4.37Å; L22-D27 HydrophobicContact CD2-CB 3.74Å; L22-D27 HydrophobicContact CG-CB 4.25Å |
| 23 | E | 86.7 | Confident | 86.8 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | trans | -59.7 | 123.4 | 176.1 | -173.6 | 166.2 | -146.7 | 0 | 0 | 110.2 | E25 V26 D27 | E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 3.3Å; E23-V26 HydrophobicContact CB-CB 4.19Å; E23-V26 HydrophobicContact CB-CG2 3.93Å; E23-V26 HydrophobicContact CG-CG2 4.18Å; E23-V26 WeakPolarHBondContact O-CB 3.31Å; E23-V26 PolarHBondContact O-N 2.86Å; E23-V26 WeakPolarHBondContact OE2-CG2 3.36Å; E23-D27 PolarHBondContact O-N 2.94Å | ||
| 24 | P | 84.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 100.2 Ų | 100.2 | 26% | 0.26 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.6 | -38.1 | -173 | -27.3 | 33.4 | 0 | 0 | 0 | 114.2 | D14 L22 V26 D27 Q28 | D14-P24 HydrophobicContact CB-CB 4.28Å; D14-P24 HydrophobicContact CB-CG 3.89Å; L22-P24 WeakPolarHBondContact O-CD 3.41Å; P24-V26 VanDerWaalsContact C-N 3.33Å; P24-V26 PolarHBondContact O-N 2.9Å; P24-D27 PolarHBondContact O-N 3.26Å; P24-Q28 WeakPolarHBondContact O-CB 3.35Å; P24-Q28 PolarHBondContact O-N 3.03Å |
| 25 | E | 85.7 | Confident | 88.1 | Confident | 109 Ų | 109 | 105.2 Ų | 105.2 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -35.7 | 177.6 | -169.8 | -179.8 | 170.5 | 0 | 0 | 111.8 | E23 K29 | E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 3.3Å; E25-K29 HydrophobicContact CG-CD 4.32Å; E25-K29 WeakPolarHBondContact O-CB 3.43Å; E25-K29 VanDerWaalsContact O-CG 3.3Å; E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 3Å; E25-K29 VanDerWaalsContact OE1-CE 3.31Å; E25-K29 WeakPolarHBondContact OE1-CE 3.22Å; E25-K29 IonicContact OE1-NZ 2.63Å; E25-K29 PolarHBondContact OE1-NZ 3.47Å |
| 26 | V | 86.8 | Confident | 88.8 | Confident | 61 Ų | 61 | 102.7 Ų | 102.7 | 37% | 0.37 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.5 | -40.5 | 176.6 | 179 | 0 | 0 | 0 | 0 | 110.9 | L22 E23 P24 T30 | L22-V26 HydrophobicContact CD1-CG1 4.37Å; E23-V26 HydrophobicContact CB-CB 4.19Å; E23-V26 HydrophobicContact CB-CG2 3.93Å; E23-V26 HydrophobicContact CG-CG2 4.18Å; E23-V26 WeakPolarHBondContact O-CB 3.31Å; E23-V26 PolarHBondContact O-N 2.86Å; E23-V26 WeakPolarHBondContact OE2-CG2 3.36Å; P24-V26 VanDerWaalsContact C-N 3.33Å; P24-V26 PolarHBondContact O-N 2.9Å; V26-T30 VanDerWaalsContact O-CB 3.24Å; V26-T30 WeakPolarHBondContact O-CB 3.46Å; V26-T30 PolarHBondContact O-N 2.87Å; V26-T30 PolarHBondContact O-OG1 3.37Å |
| 27 | D | 87.1 | Confident | 89.3 | Confident | 45 Ų | 45 | 99.9 Ų | 99.9 | 24% | 0.241 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 174.1 | -174.9 | 33.6 | 0 | 0 | 0 | 110.8 | L22 E23 P24 T30 R31 | L22-D27 HydrophobicContact CD2-CB 3.74Å; L22-D27 HydrophobicContact CG-CB 4.25Å; E23-D27 PolarHBondContact O-N 2.94Å; P24-D27 PolarHBondContact O-N 3.26Å; D27-T30 PolarHBondContact O-N 3.18Å; D27-R31 WeakPolarHBondContact O-CG 3.48Å; D27-R31 PolarHBondContact O-N 3.42Å; D27-R31 IonicContact OD1-CZ 2.72Å; D27-R31 IonicContact OD1-NE 2.72Å; D27-R31 PolarHBondContact OD1-NE 3.12Å; D27-R31 IonicContact OD1-NH2 3.27Å; D27-R31 PolarHBondContact OD1-NH2 3.12Å; D27-R31 IonicContact OD2-CZ 2.89Å; D27-R31 VanDerWaalsContact OD2-CZ 3.27Å; D27-R31 IonicContact OD2-NE 3.59Å; D27-R31 PolarHBondContact OD2-NE 3.35Å; D27-R31 IonicContact OD2-NH2 3.72Å; D27-R31 PolarHBondContact OD2-NH2 2.96Å |
| 28 | Q | 88.6 | Confident | 90 | Very high | 103 Ų | 103 | 98.3 Ų | 98.3 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -53.3 | 178.5 | -178.6 | 176.8 | -4.6 | 0 | 0 | 112 | P24 T30 R31 E32 | P24-Q28 WeakPolarHBondContact O-CB 3.35Å; P24-Q28 PolarHBondContact O-N 3.03Å; Q28-T30 PolarHBondContact O-N 3.39Å; Q28-R31 PolarHBondContact O-N 3.41Å; Q28-E32 HydrophobicContact CG-CG 4.45Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.29Å; Q28-E32 PolarHBondContact NE2-OE1 3.48Å; Q28-E32 WeakPolarHBondContact O-CG 3.39Å; Q28-E32 PolarHBondContact O-N 3.27Å |
| 29 | K | 90.9 | Very high | 90.6 | Very high | 115 Ų | 115 | 97.1 Ų | 97.1 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -34.8 | 179.4 | -73.7 | 177.2 | -174.8 | 169.8 | 0 | 112.4 | E25 L33 | E25-K29 HydrophobicContact CG-CD 4.32Å; E25-K29 WeakPolarHBondContact O-CB 3.43Å; E25-K29 VanDerWaalsContact O-CG 3.3Å; E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 3Å; E25-K29 VanDerWaalsContact OE1-CE 3.31Å; E25-K29 WeakPolarHBondContact OE1-CE 3.22Å; E25-K29 IonicContact OE1-NZ 2.63Å; E25-K29 PolarHBondContact OE1-NZ 3.47Å; K29-L33 VanDerWaalsContact O-CB 3.24Å; K29-L33 WeakPolarHBondContact O-CB 3.45Å; K29-L33 PolarHBondContact O-N 2.95Å |
| 30 | T | 92.6 | Very high | 91.1 | Very high | 82 Ų | 82 | 98.6 Ų | 98.6 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 177.3 | -58 | 0 | 0 | 0 | 0 | 111.5 | V26 D27 Q28 K34 | V26-T30 VanDerWaalsContact O-CB 3.24Å; V26-T30 WeakPolarHBondContact O-CB 3.46Å; V26-T30 PolarHBondContact O-N 2.87Å; V26-T30 PolarHBondContact O-OG1 3.37Å; D27-T30 PolarHBondContact O-N 3.18Å; Q28-T30 PolarHBondContact O-N 3.39Å; T30-K34 WeakPolarHBondContact O-CB 3.47Å; T30-K34 PolarHBondContact O-N 3.41Å |
| 31 | R | 92.1 | Very high | 91.8 | Very high | 143 Ų | 143 | 98.4 Ų | 98.4 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.5 | -45.6 | 174.9 | -69.7 | 175.1 | -167.5 | -164.4 | 5.9 | 112.2 | D27 Q28 L33 K34 E35 | D27-R31 WeakPolarHBondContact O-CG 3.48Å; D27-R31 PolarHBondContact O-N 3.42Å; D27-R31 IonicContact OD1-CZ 2.72Å; D27-R31 IonicContact OD1-NE 2.72Å; D27-R31 PolarHBondContact OD1-NE 3.12Å; D27-R31 IonicContact OD1-NH2 3.27Å; D27-R31 PolarHBondContact OD1-NH2 3.12Å; D27-R31 IonicContact OD2-CZ 2.89Å; D27-R31 VanDerWaalsContact OD2-CZ 3.27Å; D27-R31 IonicContact OD2-NE 3.59Å; D27-R31 PolarHBondContact OD2-NE 3.35Å; D27-R31 IonicContact OD2-NH2 3.72Å; D27-R31 PolarHBondContact OD2-NH2 2.96Å; Q28-R31 PolarHBondContact O-N 3.41Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 3.25Å; R31-K34 WeakPolarHBondContact O-CB 3.11Å; R31-K34 PolarHBondContact O-N 3.29Å; R31-K34 VanDerWaalsContact O-N 3.11Å; R31-E35 PolarHBondContact O-N 3.45Å |
| 32 | E | 94.9 | Very high | 92.3 | Very high | 88 Ų | 88 | 97.3 Ų | 97.3 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 175.2 | -71.2 | 171.5 | -176 | 0 | 0 | 110.7 | Q28 K34 E35 E36 | Q28-E32 HydrophobicContact CG-CG 4.45Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.29Å; Q28-E32 PolarHBondContact NE2-OE1 3.48Å; Q28-E32 WeakPolarHBondContact O-CG 3.39Å; Q28-E32 PolarHBondContact O-N 3.27Å; E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 3.32Å; E32-E35 PolarHBondContact O-N 2.98Å; E32-E36 WeakPolarHBondContact O-CG 3.43Å; E32-E36 PolarHBondContact O-N 2.89Å |
| 33 | L | 95.1 | Very high | 93 | Very high | 103 Ų | 103 | 99.2 Ų | 99.2 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 175.5 | -179.4 | 63 | 0 | 0 | 0 | 112.1 | K29 R31 E36 C37 | K29-L33 VanDerWaalsContact O-CB 3.24Å; K29-L33 WeakPolarHBondContact O-CB 3.45Å; K29-L33 PolarHBondContact O-N 2.95Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 3.25Å; L33-E36 PolarHBondContact O-N 3Å; L33-C37 WeakPolarHBondContact O-CB 3.24Å; L33-C37 PolarHBondContact O-N 3.41Å; L33-C37 PolarHBondContact O-SG 3.05Å |
| 34 | K | 95.8 | Very high | 93.5 | Very high | 129 Ų | 129 | 98 Ų | 98 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.2 | -46.8 | 177.1 | -177.4 | -170.7 | 167.1 | -163.5 | 0 | 111.2 | T30 R31 E32 C37 E38 | T30-K34 WeakPolarHBondContact O-CB 3.47Å; T30-K34 PolarHBondContact O-N 3.41Å; R31-K34 WeakPolarHBondContact O-CB 3.11Å; R31-K34 PolarHBondContact O-N 3.29Å; R31-K34 VanDerWaalsContact O-N 3.11Å; E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 3.32Å; K34-C37 PolarHBondContact O-N 3.23Å; K34-E38 WeakPolarHBondContact CE-OE1 3.48Å; K34-E38 IonicContact NZ-OE1 2.7Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 2.92Å |
| 35 | E | 96.6 | Very high | 94.2 | Very high | 125 Ų | 125 | 97.4 Ų | 97.4 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 178.3 | -70.6 | 176.3 | -174.8 | 0 | 0 | 111.2 | R31 E32 C37 E38 D39 | R31-E35 PolarHBondContact O-N 3.45Å; E32-E35 PolarHBondContact O-N 2.98Å; E35-C37 VanDerWaalsContact C-N 3.31Å; E35-C37 PolarHBondContact O-N 3.39Å; E35-E38 PolarHBondContact O-N 3.38Å; E35-D39 PolarHBondContact O-N 2.93Å |
| 36 | E | 96.3 | Very high | 94.7 | Very high | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.8 | -38.1 | 175.5 | -73.2 | -172.6 | 173.9 | 0 | 0 | 112.6 | E32 L33 F40 | E32-E36 WeakPolarHBondContact O-CG 3.43Å; E32-E36 PolarHBondContact O-N 2.89Å; L33-E36 PolarHBondContact O-N 3Å; E36-F40 VanDerWaalsContact O-CB 3.27Å; E36-F40 WeakPolarHBondContact O-CB 3.49Å; E36-F40 PolarHBondContact O-N 3.01Å |
| 37 | C | 96.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 101.2 Ų | 101.2 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 174.9 | -76.6 | 0 | 0 | 0 | 0 | 112.1 | L33 K34 E35 F40 V41 | L33-C37 WeakPolarHBondContact O-CB 3.24Å; L33-C37 PolarHBondContact O-N 3.41Å; L33-C37 PolarHBondContact O-SG 3.05Å; K34-C37 PolarHBondContact O-N 3.23Å; E35-C37 VanDerWaalsContact C-N 3.31Å; E35-C37 PolarHBondContact O-N 3.39Å; C37-F40 PolarHBondContact O-N 3.03Å; C37-V41 VanDerWaalsContact O-CG2 3.3Å; C37-V41 WeakPolarHBondContact O-CG2 3.49Å; C37-V41 PolarHBondContact O-N 3.45Å |
| 38 | E | 96.5 | Very high | 95.7 | Very high | 104 Ų | 104 | 105.2 Ų | 105.2 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 175.4 | -73.6 | 177.8 | -179.6 | 0 | 0 | 110.6 | K34 E35 F40 V41 D42 | K34-E38 WeakPolarHBondContact CE-OE1 3.48Å; K34-E38 IonicContact NZ-OE1 2.7Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 2.92Å; E35-E38 PolarHBondContact O-N 3.38Å; E38-F40 VanDerWaalsContact C-N 3.3Å; E38-F40 PolarHBondContact O-N 3.36Å; E38-V41 PolarHBondContact O-N 3.32Å; E38-D42 PolarHBondContact O-N 3.48Å |
| 39 | D | 97.1 | Very high | 96.1 | Very high | 91 Ų | 91 | 108.2 Ų | 108.2 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.3 | -39.9 | 175.3 | -91 | 7.5 | 0 | 0 | 0 | 112.9 | E35 D42 K43 | E35-D39 PolarHBondContact O-N 2.93Å; D39-D42 PolarHBondContact O-N 3.37Å; D39-K43 WeakPolarHBondContact O-CB 3.35Å; D39-K43 VanDerWaalsContact O-CG 3.29Å; D39-K43 WeakPolarHBondContact O-CG 3.35Å; D39-K43 PolarHBondContact O-N 3.47Å |
| 40 | F | 97.4 | Very high | 96.4 | Very high | 128 Ų | 128 | 108.4 Ų | 108.4 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.5 | -45.4 | 178.3 | -179.4 | -96 | 0 | 0 | 0 | 111.3 | E36 C37 E38 D42 K43 I44 | E36-F40 VanDerWaalsContact O-CB 3.27Å; E36-F40 WeakPolarHBondContact O-CB 3.49Å; E36-F40 PolarHBondContact O-N 3.01Å; C37-F40 PolarHBondContact O-N 3.03Å; E38-F40 VanDerWaalsContact C-N 3.3Å; E38-F40 PolarHBondContact O-N 3.36Å; F40-D42 VanDerWaalsContact C-N 3.3Å; F40-D42 PolarHBondContact O-N 2.94Å; F40-K43 PolarHBondContact O-N 3.35Å; F40-I44 HydrophobicContact CD1-CG1 4.1Å; F40-I44 HydrophobicContact CE1-CD1 4.33Å; F40-I44 HydrophobicContact CE1-CG1 3.66Å; F40-I44 HydrophobicContact CE2-CD1 4.36Å; F40-I44 HydrophobicContact CE2-CG1 4.23Å; F40-I44 HydrophobicContact CZ-CD1 3.92Å; F40-I44 HydrophobicContact CZ-CG1 3.73Å; F40-I44 WeakPolarHBondContact O-CG1 3.34Å; F40-I44 PolarHBondContact O-N 3.39Å |
| 41 | V | 97.3 | Very high | 96.7 | Very high | 97 Ų | 97 | 107 Ų | 107 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -42.9 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | C37 E38 I44 G45 | C37-V41 VanDerWaalsContact O-CG2 3.3Å; C37-V41 WeakPolarHBondContact O-CG2 3.49Å; C37-V41 PolarHBondContact O-N 3.45Å; E38-V41 PolarHBondContact O-N 3.32Å; V41-I44 PolarHBondContact O-N 3.33Å; V41-G45 PolarHBondContact O-N 3.07Å |
| 42 | D | 97.8 | Very high | 97 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 177.7 | -81.4 | -6.5 | 0 | 0 | 0 | 112.4 | E38 D39 F40 I44 G45 Q46 | E38-D42 PolarHBondContact O-N 3.48Å; D39-D42 PolarHBondContact O-N 3.37Å; F40-D42 VanDerWaalsContact C-N 3.3Å; F40-D42 PolarHBondContact O-N 2.94Å; D42-I44 PolarHBondContact O-N 2.92Å; D42-G45 PolarHBondContact O-N 2.94Å; D42-Q46 WeakPolarHBondContact O-CG 3.41Å; D42-Q46 PolarHBondContact O-N 3.36Å |
| 43 | K | 97.5 | Very high | 97.1 | Very high | 131 Ų | 131 | 98.6 Ų | 98.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 176.1 | -74.7 | 168.8 | -173.1 | 162.6 | 0 | 111.8 | D39 F40 G45 Q46 F47 | D39-K43 WeakPolarHBondContact O-CB 3.35Å; D39-K43 VanDerWaalsContact O-CG 3.29Å; D39-K43 WeakPolarHBondContact O-CG 3.35Å; D39-K43 PolarHBondContact O-N 3.47Å; F40-K43 PolarHBondContact O-N 3.35Å; K43-G45 VanDerWaalsContact C-N 3.35Å; K43-Q46 PolarHBondContact O-N 2.94Å; K43-F47 WeakPolarHBondContact O-CB 3.29Å; K43-F47 PolarHBondContact O-N 3.48Å |
| 44 | I | 97.3 | Very high | 97.2 | Very high | 65 Ų | 65 | 98.7 Ų | 98.7 | 33% | 0.333 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 175.7 | -69.4 | -64.8 | 0 | 0 | 0 | 110.9 | F40 V41 D42 Q46 F47 Q48 | F40-I44 HydrophobicContact CD1-CG1 4.1Å; F40-I44 HydrophobicContact CE1-CD1 4.33Å; F40-I44 HydrophobicContact CE1-CG1 3.66Å; F40-I44 HydrophobicContact CE2-CD1 4.36Å; F40-I44 HydrophobicContact CE2-CG1 4.23Å; F40-I44 HydrophobicContact CZ-CD1 3.92Å; F40-I44 HydrophobicContact CZ-CG1 3.73Å; F40-I44 WeakPolarHBondContact O-CG1 3.34Å; F40-I44 PolarHBondContact O-N 3.39Å; V41-I44 PolarHBondContact O-N 3.33Å; D42-I44 PolarHBondContact O-N 2.92Å; I44-Q46 VanDerWaalsContact C-N 3.34Å; I44-Q46 PolarHBondContact O-N 3.37Å; I44-F47 PolarHBondContact O-N 3.22Å; I44-Q48 HydrophobicContact CG2-CG 4.42Å; I44-Q48 WeakPolarHBondContact O-CG 3.46Å; I44-Q48 PolarHBondContact O-N 2.89Å |
| 45 | G | 97.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 97.1 Ų | 97.1 | 27% | 0.268 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V41 D42 K43 K49 | V41-G45 PolarHBondContact O-N 3.07Å; D42-G45 PolarHBondContact O-N 2.94Å; K43-G45 VanDerWaalsContact C-N 3.35Å; G45-K49 WeakPolarHBondContact O-CG 3.46Å; G45-K49 PolarHBondContact O-N 3.47Å |
| 46 | Q | 97.3 | Very high | 97.3 | Very high | 121 Ų | 121 | 97.5 Ų | 97.5 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 173.9 | -68.7 | 176.1 | 19.1 | 0 | 0 | 112 | D42 K43 I44 Q48 K49 I50 | D42-Q46 WeakPolarHBondContact O-CG 3.41Å; D42-Q46 PolarHBondContact O-N 3.36Å; K43-Q46 PolarHBondContact O-N 2.94Å; I44-Q46 VanDerWaalsContact C-N 3.34Å; I44-Q46 PolarHBondContact O-N 3.37Å; Q46-Q48 VanDerWaalsContact C-N 3.35Å; Q46-Q48 PolarHBondContact O-N 3.49Å; Q46-K49 WeakPolarHBondContact O-CB 3.49Å; Q46-K49 PolarHBondContact O-N 3.33Å; Q46-I50 WeakPolarHBondContact O-CG1 3.49Å; Q46-I50 PolarHBondContact O-N 2.99Å |
| 47 | F | 97.6 | Very high | 97.4 | Very high | 130 Ų | 130 | 96.5 Ų | 96.5 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.2 | -45.7 | 177.2 | 178.5 | -100.8 | 0 | 0 | 0 | 111.8 | K43 I44 K49 I50 V51 | K43-F47 WeakPolarHBondContact O-CB 3.29Å; K43-F47 PolarHBondContact O-N 3.48Å; I44-F47 PolarHBondContact O-N 3.22Å; F47-K49 VanDerWaalsContact C-N 3.31Å; F47-K49 PolarHBondContact O-N 2.93Å; F47-I50 PolarHBondContact O-N 3.01Å; F47-V51 HydrophobicContact CD1-CG2 4.16Å; F47-V51 HydrophobicContact CD2-CG2 4.35Å; F47-V51 HydrophobicContact CE1-CG2 3.7Å; F47-V51 HydrophobicContact CE2-CG2 3.92Å; F47-V51 HydrophobicContact CG-CG2 4.47Å; F47-V51 HydrophobicContact CZ-CG2 3.57Å; F47-V51 WeakPolarHBondContact O-CG2 3.32Å; F47-V51 PolarHBondContact O-N 3.21Å |
| 48 | Q | 97.3 | Very high | 97.5 | Very high | 129 Ų | 129 | 97.3 Ų | 97.3 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.4 | -40.4 | 176.3 | -74.8 | 177.2 | -18.8 | 0 | 0 | 112.3 | I44 Q46 V51 G52 | I44-Q48 HydrophobicContact CG2-CG 4.42Å; I44-Q48 WeakPolarHBondContact O-CG 3.46Å; I44-Q48 PolarHBondContact O-N 2.89Å; Q46-Q48 VanDerWaalsContact C-N 3.35Å; Q46-Q48 PolarHBondContact O-N 3.49Å; Q48-V51 PolarHBondContact O-N 2.91Å; Q48-G52 PolarHBondContact O-N 3.47Å |
| 49 | K | 97.6 | Very high | 97.5 | Very high | 165 Ų | 165 | 96.6 Ų | 96.6 | 72% | 0.717 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 175 | -72.8 | 172.7 | -178 | 177.4 | 0 | 112.2 | G45 Q46 F47 G52 G53 | G45-K49 WeakPolarHBondContact O-CG 3.46Å; G45-K49 PolarHBondContact O-N 3.47Å; Q46-K49 WeakPolarHBondContact O-CB 3.49Å; Q46-K49 PolarHBondContact O-N 3.33Å; F47-K49 VanDerWaalsContact C-N 3.31Å; F47-K49 PolarHBondContact O-N 2.93Å; K49-G52 PolarHBondContact O-N 3.46Å; K49-G53 PolarHBondContact O-N 2.91Å |
| 50 | I | 97.4 | Very high | 97.6 | Very high | 120 Ų | 120 | 97.7 Ų | 97.7 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 178.8 | -66.5 | 167.1 | 0 | 0 | 0 | 110.4 | Q46 F47 G52 G53 L54 | Q46-I50 WeakPolarHBondContact O-CG1 3.49Å; Q46-I50 PolarHBondContact O-N 2.99Å; F47-I50 PolarHBondContact O-N 3.01Å; I50-G52 VanDerWaalsContact C-N 3.33Å; I50-G52 PolarHBondContact O-N 3.23Å; I50-G53 PolarHBondContact O-N 2.96Å; I50-L54 WeakPolarHBondContact O-CB 3.48Å; I50-L54 PolarHBondContact O-N 3.5Å |
| 51 | V | 97.8 | Very high | 97.6 | Very high | 51 Ų | 51 | 97 Ų | 97 | 31% | 0.309 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 111 | F47 Q48 L54 I55 | F47-V51 HydrophobicContact CD1-CG2 4.16Å; F47-V51 HydrophobicContact CD2-CG2 4.35Å; F47-V51 HydrophobicContact CE1-CG2 3.7Å; F47-V51 HydrophobicContact CE2-CG2 3.92Å; F47-V51 HydrophobicContact CG-CG2 4.47Å; F47-V51 HydrophobicContact CZ-CG2 3.57Å; F47-V51 WeakPolarHBondContact O-CG2 3.32Å; F47-V51 PolarHBondContact O-N 3.21Å; Q48-V51 PolarHBondContact O-N 2.91Å; V51-L54 PolarHBondContact O-N 3.36Å; V51-I55 HydrophobicContact CG1-CD1 3.94Å; V51-I55 HydrophobicContact CG1-CG1 4.44Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.44Å; V51-I55 PolarHBondContact O-N 3.34Å |
| 52 | G | 97.8 | Very high | 97.6 | Very high | 29 Ų | 29 | 95 Ų | 95 | 30% | 0.299 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.3 | -50.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q48 K49 I50 L54 I55 E56 | Q48-G52 PolarHBondContact O-N 3.47Å; K49-G52 PolarHBondContact O-N 3.46Å; I50-G52 VanDerWaalsContact C-N 3.33Å; I50-G52 PolarHBondContact O-N 3.23Å; G52-L54 VanDerWaalsContact C-N 3.32Å; G52-L54 PolarHBondContact O-N 2.91Å; G52-I55 PolarHBondContact O-N 3.4Å; G52-E56 PolarHBondContact O-N 3.34Å; G52-E56 VanDerWaalsContact O-N 3.1Å |
| 53 | G | 97.6 | Very high | 97.6 | Very high | 27 Ų | 27 | 96.9 Ų | 96.9 | 28% | 0.278 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K49 I50 E56 L57 | K49-G53 PolarHBondContact O-N 2.91Å; I50-G53 PolarHBondContact O-N 2.96Å; G53-E56 PolarHBondContact O-N 3.32Å; G53-L57 WeakPolarHBondContact O-CG 3.44Å; G53-L57 PolarHBondContact O-N 2.94Å |
| 54 | L | 97.3 | Very high | 97.6 | Very high | 104 Ų | 104 | 96.9 Ų | 96.9 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 175 | 179.3 | 62.9 | 0 | 0 | 0 | 111.9 | I50 V51 G52 E56 L57 V58 | I50-L54 WeakPolarHBondContact O-CB 3.48Å; I50-L54 PolarHBondContact O-N 3.5Å; V51-L54 PolarHBondContact O-N 3.36Å; G52-L54 VanDerWaalsContact C-N 3.32Å; G52-L54 PolarHBondContact O-N 2.91Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-L57 PolarHBondContact O-N 2.96Å; L54-V58 HydrophobicContact CD1-CG2 4.2Å; L54-V58 HydrophobicContact CG-CG2 4.45Å; L54-V58 WeakPolarHBondContact O-CB 3.44Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.38Å; L54-V58 PolarHBondContact O-N 2.92Å |
| 55 | I | 97.6 | Very high | 97.7 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.9 | -69.8 | 165.5 | 0 | 0 | 0 | 109.9 | V51 G52 L57 V58 D59 | V51-I55 HydrophobicContact CG1-CD1 3.94Å; V51-I55 HydrophobicContact CG1-CG1 4.44Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.44Å; V51-I55 PolarHBondContact O-N 3.34Å; G52-I55 PolarHBondContact O-N 3.4Å; I55-L57 PolarHBondContact O-N 2.97Å; I55-V58 PolarHBondContact O-N 3.34Å; I55-D59 PolarHBondContact O-N 3.31Å |
| 56 | E | 97.9 | Very high | 97.7 | Very high | 133 Ų | 133 | 99.8 Ų | 99.8 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -46.8 | 177.7 | -70.5 | 174.9 | 179.2 | 0 | 0 | 112.1 | G52 G53 L54 V58 D59 E60 | G52-E56 PolarHBondContact O-N 3.34Å; G52-E56 VanDerWaalsContact O-N 3.1Å; G53-E56 PolarHBondContact O-N 3.32Å; L54-E56 VanDerWaalsContact C-N 3.33Å; E56-V58 VanDerWaalsContact C-N 3.34Å; E56-V58 PolarHBondContact O-N 2.86Å; E56-D59 PolarHBondContact O-N 2.86Å; E56-E60 WeakPolarHBondContact O-CG 3.44Å; E56-E60 PolarHBondContact O-N 2.97Å |
| 57 | L | 97.8 | Very high | 97.7 | Very high | 111 Ų | 111 | 97.6 Ų | 97.6 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 177.5 | -73.2 | 170.8 | 0 | 0 | 0 | 112.5 | G53 L54 I55 E60 L61 | G53-L57 WeakPolarHBondContact O-CG 3.44Å; G53-L57 PolarHBondContact O-N 2.94Å; L54-L57 PolarHBondContact O-N 2.96Å; I55-L57 PolarHBondContact O-N 2.97Å; L57-E60 PolarHBondContact O-N 3.46Å; L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 PolarHBondContact O-N 3.49Å |
| 58 | V | 97.8 | Very high | 97.7 | Very high | 83 Ų | 83 | 96.5 Ų | 96.5 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | L54 I55 E56 L61 A62 | L54-V58 HydrophobicContact CD1-CG2 4.2Å; L54-V58 HydrophobicContact CG-CG2 4.45Å; L54-V58 WeakPolarHBondContact O-CB 3.44Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.38Å; L54-V58 PolarHBondContact O-N 2.92Å; I55-V58 PolarHBondContact O-N 3.34Å; E56-V58 VanDerWaalsContact C-N 3.34Å; E56-V58 PolarHBondContact O-N 2.86Å; V58-L61 PolarHBondContact O-N 2.96Å; V58-A62 WeakPolarHBondContact O-CB 3.36Å; V58-A62 PolarHBondContact O-N 3.01Å |
| 59 | D | 98.1 | Very high | 97.7 | Very high | 89 Ų | 89 | 95.4 Ų | 95.4 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.8 | -84.4 | -9.8 | 0 | 0 | 0 | 112.3 | I55 E56 A62 K63 | I55-D59 PolarHBondContact O-N 3.31Å; E56-D59 PolarHBondContact O-N 2.86Å; D59-A62 PolarHBondContact O-N 2.97Å; D59-K63 WeakPolarHBondContact O-CG 3.45Å; D59-K63 PolarHBondContact O-N 3.34Å; D59-K63 VanDerWaalsContact O-N 3.12Å |
| 60 | E | 97.9 | Very high | 97.7 | Very high | 115 Ų | 115 | 93.4 Ų | 93.4 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 173.7 | -74.5 | -175.6 | 167.9 | 0 | 0 | 111.4 | E56 L57 A62 K63 E64 | E56-E60 WeakPolarHBondContact O-CG 3.44Å; E56-E60 PolarHBondContact O-N 2.97Å; L57-E60 PolarHBondContact O-N 3.46Å; E60-A62 VanDerWaalsContact C-N 3.28Å; E60-A62 PolarHBondContact O-N 3.43Å; E60-K63 WeakPolarHBondContact O-CB 3.28Å; E60-K63 PolarHBondContact O-N 2.7Å; E60-K63 VanDerWaalsContact O-N 3.11Å; E60-E64 PolarHBondContact O-N 2.88Å |
| 61 | L | 97.7 | Very high | 97.7 | Very high | 114 Ų | 114 | 93.5 Ų | 93.5 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -39.7 | 178 | -176.9 | 62.2 | 0 | 0 | 0 | 111.9 | L57 V58 E64 A65 | L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 PolarHBondContact O-N 3.49Å; V58-L61 PolarHBondContact O-N 2.96Å; L61-E64 PolarHBondContact O-N 3.46Å; L61-A65 WeakPolarHBondContact O-CB 3.42Å; L61-A65 PolarHBondContact O-N 3.36Å |
| 62 | A | 97.9 | Very high | 97.7 | Very high | 54 Ų | 54 | 94 Ų | 94 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V58 D59 E60 A65 E66 | V58-A62 WeakPolarHBondContact O-CB 3.36Å; V58-A62 PolarHBondContact O-N 3.01Å; D59-A62 PolarHBondContact O-N 2.97Å; E60-A62 VanDerWaalsContact C-N 3.28Å; E60-A62 PolarHBondContact O-N 3.43Å; A62-A65 PolarHBondContact O-N 3.21Å; A62-E66 PolarHBondContact O-N 3.41Å |
| 63 | K | 97.8 | Very high | 97.6 | Very high | 142 Ų | 142 | 95.8 Ų | 95.8 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -42.2 | 176.5 | -71.9 | 170.1 | -172.6 | 167.1 | 0 | 112.1 | D59 E60 T67 | D59-K63 WeakPolarHBondContact O-CG 3.45Å; D59-K63 PolarHBondContact O-N 3.34Å; D59-K63 VanDerWaalsContact O-N 3.12Å; E60-K63 WeakPolarHBondContact O-CB 3.28Å; E60-K63 PolarHBondContact O-N 2.7Å; E60-K63 VanDerWaalsContact O-N 3.11Å; K63-T67 WeakPolarHBondContact O-CB 3.47Å; K63-T67 PolarHBondContact O-N 3.02Å; K63-T67 PolarHBondContact O-OG1 3.34Å |
| 64 | E | 97.8 | Very high | 97.6 | Very high | 130 Ų | 130 | 96.3 Ų | 96.3 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.8 | -44.8 | 176.4 | -72.3 | -172 | 176 | 0 | 0 | 111.4 | E60 L61 E66 T67 E68 | E60-E64 PolarHBondContact O-N 2.88Å; L61-E64 PolarHBondContact O-N 3.46Å; E64-E66 PolarHBondContact O-N 3.47Å; E64-T67 WeakPolarHBondContact O-CB 3.3Å; E64-T67 PolarHBondContact O-N 3.49Å; E64-T67 VanDerWaalsContact O-N 3.15Å; E64-E68 PolarHBondContact O-N 3.42Å |
| 65 | A | 97.9 | Very high | 97.5 | Very high | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L61 A62 T67 E68 K69 | L61-A65 WeakPolarHBondContact O-CB 3.42Å; L61-A65 PolarHBondContact O-N 3.36Å; A62-A65 PolarHBondContact O-N 3.21Å; A65-T67 VanDerWaalsContact C-N 3.34Å; A65-E68 PolarHBondContact O-N 2.95Å; A65-K69 VanDerWaalsContact O-CB 3.25Å; A65-K69 WeakPolarHBondContact O-CB 3.48Å; A65-K69 PolarHBondContact O-N 2.94Å |
| 66 | E | 97.1 | Very high | 97.4 | Very high | 94 Ų | 94 | 98 Ų | 98 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 175.4 | -80.2 | -59.9 | 154.9 | 0 | 0 | 112.5 | A62 E64 K69 M70 | A62-E66 PolarHBondContact O-N 3.41Å; E64-E66 PolarHBondContact O-N 3.47Å; E66-K69 PolarHBondContact O-N 3.37Å; E66-K69 IonicContact OE1-NZ 3.27Å; E66-K69 PolarHBondContact OE1-NZ 3.33Å; E66-K69 WeakPolarHBondContact OE2-CD 3.25Å; E66-K69 IonicContact OE2-NZ 2.81Å; E66-K69 PolarHBondContact OE2-NZ 2.97Å; E66-M70 WeakPolarHBondContact O-CB 3.48Å; E66-M70 VanDerWaalsContact O-CG 3.3Å; E66-M70 WeakPolarHBondContact O-CG 3.35Å; E66-M70 PolarHBondContact O-N 2.86Å |
| 67 | T | 97.7 | Very high | 97.4 | Very high | 75 Ų | 75 | 95.8 Ų | 95.8 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 175.9 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | K63 E64 A65 M70 K71 | K63-T67 WeakPolarHBondContact O-CB 3.47Å; K63-T67 PolarHBondContact O-N 3.02Å; K63-T67 PolarHBondContact O-OG1 3.34Å; E64-T67 WeakPolarHBondContact O-CB 3.3Å; E64-T67 PolarHBondContact O-N 3.49Å; E64-T67 VanDerWaalsContact O-N 3.15Å; A65-T67 VanDerWaalsContact C-N 3.34Å; T67-M70 PolarHBondContact O-N 3.13Å; T67-K71 WeakPolarHBondContact O-CG 3.48Å; T67-K71 PolarHBondContact O-N 3.28Å |
| 68 | E | 97.6 | Very high | 97.2 | Very high | 107 Ų | 107 | 96 Ų | 96 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 178.1 | -73.4 | -53.8 | 131.8 | 0 | 0 | 112.3 | E64 A65 M70 K71 A72 | E64-E68 PolarHBondContact O-N 3.42Å; A65-E68 PolarHBondContact O-N 2.95Å; E68-M70 VanDerWaalsContact C-N 3.32Å; E68-M70 PolarHBondContact O-N 3.48Å; E68-K71 PolarHBondContact O-N 3.34Å; E68-K71 WeakPolarHBondContact OE1-CD 3.46Å; E68-K71 IonicContact OE1-NZ 3.84Å; E68-K71 PolarHBondContact OE1-NZ 3.48Å; E68-A72 WeakPolarHBondContact O-CB 3.32Å; E68-A72 PolarHBondContact O-N 3.22Å |
| 69 | K | 98.1 | Very high | 97.1 | Very high | 107 Ų | 107 | 98 Ų | 98 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 172.9 | 174.1 | 176.5 | 152.9 | -146.5 | 0 | 111.6 | A65 E66 A72 I73 | A65-K69 VanDerWaalsContact O-CB 3.25Å; A65-K69 WeakPolarHBondContact O-CB 3.48Å; A65-K69 PolarHBondContact O-N 2.94Å; E66-K69 PolarHBondContact O-N 3.37Å; E66-K69 IonicContact OE1-NZ 3.27Å; E66-K69 PolarHBondContact OE1-NZ 3.33Å; E66-K69 WeakPolarHBondContact OE2-CD 3.25Å; E66-K69 IonicContact OE2-NZ 2.81Å; E66-K69 PolarHBondContact OE2-NZ 2.97Å; K69-A72 PolarHBondContact O-N 3.44Å; K69-I73 HydrophobicContact CG-CD1 3.99Å; K69-I73 VanDerWaalsContact O-CG1 3.28Å; K69-I73 WeakPolarHBondContact O-CG1 3.37Å; K69-I73 PolarHBondContact O-N 3.42Å |
| 70 | M | 97.1 | Very high | 97 | Very high | 123 Ų | 123 | 101.5 Ų | 101.5 | 61% | 0.606 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 177.9 | -72.2 | -64.2 | -83.8 | 0 | 0 | 112.2 | E66 T67 E68 A72 I73 G74 | E66-M70 WeakPolarHBondContact O-CB 3.48Å; E66-M70 VanDerWaalsContact O-CG 3.3Å; E66-M70 WeakPolarHBondContact O-CG 3.35Å; E66-M70 PolarHBondContact O-N 2.86Å; T67-M70 PolarHBondContact O-N 3.13Å; E68-M70 VanDerWaalsContact C-N 3.32Å; E68-M70 PolarHBondContact O-N 3.48Å; M70-A72 PolarHBondContact O-N 3.15Å; M70-I73 PolarHBondContact O-N 2.92Å; M70-I73 HydrophobicContact SD-CD1 4.48Å; M70-G74 PolarHBondContact O-N 3.24Å |
| 71 | K | 97.4 | Very high | 96.8 | Very high | 122 Ų | 122 | 98.9 Ų | 98.9 | 53% | 0.53 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 173.4 | -70.9 | 175.6 | -172 | 167.9 | 0 | 111.8 | T67 E68 I73 G74 A75 | T67-K71 WeakPolarHBondContact O-CG 3.48Å; T67-K71 PolarHBondContact O-N 3.28Å; E68-K71 PolarHBondContact O-N 3.34Å; E68-K71 WeakPolarHBondContact OE1-CD 3.46Å; E68-K71 IonicContact OE1-NZ 3.84Å; E68-K71 PolarHBondContact OE1-NZ 3.48Å; K71-I73 PolarHBondContact O-N 2.99Å; K71-G74 PolarHBondContact O-N 2.93Å; K71-A75 PolarHBondContact O-N 3.4Å |
| 72 | A | 97.4 | Very high | 96.7 | Very high | 61 Ų | 61 | 97.1 Ų | 97.1 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | E68 K69 M70 G74 A75 R76 | E68-A72 WeakPolarHBondContact O-CB 3.32Å; E68-A72 PolarHBondContact O-N 3.22Å; K69-A72 PolarHBondContact O-N 3.44Å; M70-A72 PolarHBondContact O-N 3.15Å; A72-G74 VanDerWaalsContact C-N 3.35Å; A72-A75 PolarHBondContact O-N 2.88Å; A72-R76 WeakPolarHBondContact O-CB 3.33Å; A72-R76 PolarHBondContact O-N 3.35Å |
| 73 | I | 96.7 | Very high | 96.5 | Very high | 67 Ų | 67 | 97.3 Ų | 97.3 | 34% | 0.344 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 173.8 | -68.7 | 166.6 | 0 | 0 | 0 | 110.5 | K69 M70 K71 R76 N77 | K69-I73 HydrophobicContact CG-CD1 3.99Å; K69-I73 VanDerWaalsContact O-CG1 3.28Å; K69-I73 WeakPolarHBondContact O-CG1 3.37Å; K69-I73 PolarHBondContact O-N 3.42Å; M70-I73 PolarHBondContact O-N 2.92Å; M70-I73 HydrophobicContact SD-CD1 4.48Å; K71-I73 PolarHBondContact O-N 2.99Å; I73-R76 PolarHBondContact O-N 3.5Å; I73-N77 WeakPolarHBondContact O-CB 3.49Å; I73-N77 VanDerWaalsContact O-CG 3.27Å; I73-N77 PolarHBondContact O-N 2.84Å |
| 74 | G | 96.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 98 Ų | 98 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.5 | -50.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M70 K71 A72 R76 N77 L78 | M70-G74 PolarHBondContact O-N 3.24Å; K71-G74 PolarHBondContact O-N 2.93Å; A72-G74 VanDerWaalsContact C-N 3.35Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 2.94Å; G74-N77 PolarHBondContact O-N 3.01Å; G74-L78 PolarHBondContact O-N 3.04Å |
| 75 | A | 95.9 | Very high | 96.3 | Very high | 55 Ų | 55 | 97.2 Ų | 97.2 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K71 A72 N77 L78 L79 | K71-A75 PolarHBondContact O-N 3.4Å; A72-A75 PolarHBondContact O-N 2.88Å; A75-N77 PolarHBondContact O-N 2.97Å; A75-L78 PolarHBondContact O-N 3.4Å; A75-L79 PolarHBondContact O-N 2.93Å |
| 76 | R | 96.2 | Very high | 96.2 | Very high | 180 Ų | 180 | 103.1 Ų | 103.1 | 68% | 0.679 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 176.6 | -168 | -178.9 | 80 | 166.3 | 2.7 | 112.1 | A72 I73 G74 L79 K80 | A72-R76 WeakPolarHBondContact O-CB 3.33Å; A72-R76 PolarHBondContact O-N 3.35Å; I73-R76 PolarHBondContact O-N 3.5Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 2.94Å; R76-L79 PolarHBondContact O-N 2.93Å; R76-K80 PolarHBondContact O-N 3.24Å |
| 77 | N | 96.1 | Very high | 96.2 | Very high | 86 Ų | 86 | 104.1 Ų | 104.1 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 178.5 | -73.2 | -14.1 | 0 | 0 | 0 | 111.6 | I73 G74 A75 K80 S81 | I73-N77 WeakPolarHBondContact O-CB 3.49Å; I73-N77 VanDerWaalsContact O-CG 3.27Å; I73-N77 PolarHBondContact O-N 2.84Å; G74-N77 PolarHBondContact O-N 3.01Å; A75-N77 PolarHBondContact O-N 2.97Å; N77-K80 PolarHBondContact O-N 3.42Å; N77-S81 PolarHBondContact O-N 3.42Å |
| 78 | L | 95 | Very high | 96.2 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 174.7 | -175.7 | 65.5 | 0 | 0 | 0 | 111.6 | G74 A75 K80 S81 V82 | G74-L78 PolarHBondContact O-N 3.04Å; A75-L78 PolarHBondContact O-N 3.4Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 2.93Å; L78-S81 PolarHBondContact O-N 2.98Å; L78-S81 PolarHBondContact O-OG 3.32Å; L78-V82 HydrophobicContact CD1-CG2 4.46Å; L78-V82 HydrophobicContact CG-CG2 4.5Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.47Å |
| 79 | L | 95.4 | Very high | 96.1 | Very high | 126 Ų | 126 | 102.3 Ų | 102.3 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.2 | -42.2 | 176 | -78.8 | 167.3 | 0 | 0 | 0 | 111.9 | A75 R76 V82 A83 | A75-L79 PolarHBondContact O-N 2.93Å; R76-L79 PolarHBondContact O-N 2.93Å; L79-V82 PolarHBondContact O-N 2.94Å; L79-A83 WeakPolarHBondContact O-CB 3.27Å; L79-A83 PolarHBondContact O-N 3.11Å |
| 80 | K | 95.3 | Very high | 96.1 | Very high | 161 Ų | 161 | 102.4 Ų | 102.4 | 70% | 0.7 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -40.4 | 177.2 | -168.9 | 178.1 | -178.3 | -179.6 | 0 | 112.1 | R76 N77 L78 K84 | R76-K80 PolarHBondContact O-N 3.24Å; N77-K80 PolarHBondContact O-N 3.42Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 2.93Å; K80-K84 PolarHBondContact O-N 2.89Å; K80-K84 VanDerWaalsContact O-N 3.13Å |
| 81 | S | 94.9 | Very high | 96.1 | Very high | 61 Ų | 61 | 101.9 Ų | 101.9 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 177.9 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | N77 L78 A83 K84 Q85 | N77-S81 PolarHBondContact O-N 3.42Å; L78-S81 PolarHBondContact O-N 2.98Å; L78-S81 PolarHBondContact O-OG 3.32Å; S81-A83 PolarHBondContact O-N 3.12Å; S81-K84 PolarHBondContact O-N 3.26Å; S81-Q85 WeakPolarHBondContact O-CB 3.47Å; S81-Q85 PolarHBondContact O-N 3.4Å |
| 82 | V | 95.6 | Very high | 96.2 | Very high | 76 Ų | 76 | 102.8 Ų | 102.8 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | L78 L79 K84 Q85 R86 | L78-V82 HydrophobicContact CD1-CG2 4.46Å; L78-V82 HydrophobicContact CG-CG2 4.5Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.47Å; L79-V82 PolarHBondContact O-N 2.94Å; V82-K84 PolarHBondContact O-N 2.96Å; V82-Q85 PolarHBondContact O-N 2.9Å; V82-R86 VanDerWaalsContact O-CB 3.32Å; V82-R86 WeakPolarHBondContact O-CB 3.4Å; V82-R86 PolarHBondContact O-N 3.43Å |
| 83 | A | 93.9 | Very high | 96.2 | Very high | 58 Ų | 58 | 104.9 Ų | 104.9 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L79 S81 R86 E87 | L79-A83 WeakPolarHBondContact O-CB 3.27Å; L79-A83 PolarHBondContact O-N 3.11Å; S81-A83 PolarHBondContact O-N 3.12Å; A83-R86 PolarHBondContact O-N 3.03Å; A83-E87 PolarHBondContact O-N 3.06Å |
| 84 | K | 95.5 | Very high | 96.3 | Very high | 157 Ų | 157 | 107 Ų | 107 | 68% | 0.683 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 177 | -173.2 | 178.6 | -179.9 | -178.3 | 0 | 112.2 | K80 S81 V82 R86 E87 A88 | K80-K84 PolarHBondContact O-N 2.89Å; K80-K84 VanDerWaalsContact O-N 3.13Å; S81-K84 PolarHBondContact O-N 3.26Å; V82-K84 PolarHBondContact O-N 2.96Å; K84-R86 VanDerWaalsContact C-N 3.35Å; K84-E87 PolarHBondContact O-N 2.96Å; K84-A88 WeakPolarHBondContact O-CB 3.41Å; K84-A88 PolarHBondContact O-N 3.27Å |
| 85 | Q | 95.4 | Very high | 96.3 | Very high | 113 Ų | 113 | 108.1 Ų | 108.1 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 177 | -175.7 | 177.8 | 5.9 | 0 | 0 | 111.2 | S81 V82 A88 Q89 | S81-Q85 WeakPolarHBondContact O-CB 3.47Å; S81-Q85 PolarHBondContact O-N 3.4Å; V82-Q85 PolarHBondContact O-N 2.9Å; Q85-A88 PolarHBondContact O-N 3.48Å; Q85-Q89 WeakPolarHBondContact O-CB 3.39Å; Q85-Q89 WeakPolarHBondContact O-CG 3.31Å; Q85-Q89 PolarHBondContact O-N 3.38Å |
| 86 | R | 96.1 | Very high | 96.5 | Very high | 183 Ų | 183 | 109.6 Ų | 109.6 | 69% | 0.691 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 177.1 | -173.7 | -179.3 | -179.5 | -168.3 | 0.6 | 111.7 | V82 A83 K84 Q89 Q90 | V82-R86 VanDerWaalsContact O-CB 3.32Å; V82-R86 WeakPolarHBondContact O-CB 3.4Å; V82-R86 PolarHBondContact O-N 3.43Å; A83-R86 PolarHBondContact O-N 3.03Å; K84-R86 VanDerWaalsContact C-N 3.35Å; R86-Q89 PolarHBondContact O-N 3.47Å; R86-Q90 WeakPolarHBondContact O-CB 3.29Å; R86-Q90 PolarHBondContact O-N 3.32Å |
| 87 | E | 96.6 | Very high | 96.6 | Very high | 115 Ų | 115 | 105.5 Ų | 105.5 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.2 | -172.7 | -178.2 | 179.1 | 0 | 0 | 111.5 | A83 K84 Q89 Q90 Q91 | A83-E87 PolarHBondContact O-N 3.06Å; K84-E87 PolarHBondContact O-N 2.96Å; E87-Q89 PolarHBondContact O-N 2.93Å; E87-Q90 WeakPolarHBondContact O-CB 3.47Å; E87-Q90 PolarHBondContact O-N 3.47Å; E87-Q91 WeakPolarHBondContact O-CG 3.48Å; E87-Q91 PolarHBondContact O-N 3.43Å |
| 88 | A | 96.6 | Very high | 96.7 | Very high | 46 Ų | 46 | 104.2 Ų | 104.2 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K84 Q85 Q90 Q91 Q92 | K84-A88 WeakPolarHBondContact O-CB 3.41Å; K84-A88 PolarHBondContact O-N 3.27Å; Q85-A88 PolarHBondContact O-N 3.48Å; A88-Q90 VanDerWaalsContact C-N 3.33Å; A88-Q90 PolarHBondContact O-N 2.98Å; A88-Q91 PolarHBondContact O-N 3.1Å; A88-Q92 WeakPolarHBondContact O-CG 3.4Å; A88-Q92 PolarHBondContact O-N 3.25Å |
| 89 | Q | 97.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 103.1 Ų | 103.1 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 175.1 | -77.1 | 178.2 | -17.6 | 0 | 0 | 111.8 | Q85 R86 E87 Q92 L93 | Q85-Q89 WeakPolarHBondContact O-CB 3.39Å; Q85-Q89 WeakPolarHBondContact O-CG 3.31Å; Q85-Q89 PolarHBondContact O-N 3.38Å; R86-Q89 PolarHBondContact O-N 3.47Å; E87-Q89 PolarHBondContact O-N 2.93Å; Q89-Q92 PolarHBondContact O-N 2.93Å; Q89-L93 WeakPolarHBondContact O-CB 3.45Å; Q89-L93 WeakPolarHBondContact O-CG 3.35Å; Q89-L93 PolarHBondContact O-N 3.45Å |
| 90 | Q | 97.6 | Very high | 97 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.1 | -176.8 | 176.5 | -12.6 | 0 | 0 | 111.5 | R86 E87 A88 L93 Q94 | R86-Q90 WeakPolarHBondContact O-CB 3.29Å; R86-Q90 PolarHBondContact O-N 3.32Å; E87-Q90 WeakPolarHBondContact O-CB 3.47Å; E87-Q90 PolarHBondContact O-N 3.47Å; A88-Q90 VanDerWaalsContact C-N 3.33Å; A88-Q90 PolarHBondContact O-N 2.98Å; Q90-L93 PolarHBondContact O-N 3.2Å; Q90-Q94 WeakPolarHBondContact O-CG 3.27Å; Q90-Q94 PolarHBondContact O-N 3.34Å |
| 91 | Q | 97.7 | Very high | 97.1 | Very high | 112 Ų | 112 | 101.6 Ų | 101.6 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 175.8 | -70.7 | 177.1 | 3.2 | 0 | 0 | 111.8 | E87 A88 L93 Q94 A95 | E87-Q91 WeakPolarHBondContact O-CG 3.48Å; E87-Q91 PolarHBondContact O-N 3.43Å; A88-Q91 PolarHBondContact O-N 3.1Å; Q91-L93 PolarHBondContact O-N 3.02Å; Q91-Q94 PolarHBondContact O-N 3.45Å; Q91-A95 PolarHBondContact O-N 3.23Å |
| 92 | Q | 97.8 | Very high | 97.3 | Very high | 141 Ų | 141 | 105.2 Ų | 105.2 | 66% | 0.659 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 175.4 | -75.7 | 179.8 | -24.7 | 0 | 0 | 112.2 | A88 Q89 A95 L96 | A88-Q92 WeakPolarHBondContact O-CG 3.4Å; A88-Q92 PolarHBondContact O-N 3.25Å; Q89-Q92 PolarHBondContact O-N 2.93Å; Q92-A95 PolarHBondContact O-N 2.72Å; Q92-L96 PolarHBondContact O-N 2.95Å |
| 93 | L | 98.1 | Very high | 97.4 | Very high | 105 Ų | 105 | 103.8 Ų | 103.8 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 177 | -72.9 | 171.7 | 0 | 0 | 0 | 111.9 | Q89 Q90 Q91 L96 I97 | Q89-L93 WeakPolarHBondContact O-CB 3.45Å; Q89-L93 WeakPolarHBondContact O-CG 3.35Å; Q89-L93 PolarHBondContact O-N 3.45Å; Q90-L93 PolarHBondContact O-N 3.2Å; Q91-L93 PolarHBondContact O-N 3.02Å; L93-L96 PolarHBondContact O-N 2.92Å; L93-I97 WeakPolarHBondContact O-CB 3.33Å; L93-I97 VanDerWaalsContact O-CG1 3.24Å; L93-I97 WeakPolarHBondContact O-CG1 3.04Å; L93-I97 PolarHBondContact O-N 3.18Å |
| 94 | Q | 98.2 | Very high | 97.6 | Very high | 111 Ų | 111 | 106.7 Ų | 106.7 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.7 | -76.1 | 177.7 | -11 | 0 | 0 | 112.1 | Q90 Q91 I97 A98 | Q90-Q94 WeakPolarHBondContact O-CG 3.27Å; Q90-Q94 PolarHBondContact O-N 3.34Å; Q91-Q94 PolarHBondContact O-N 3.45Å; Q94-I97 PolarHBondContact O-N 3.38Å; Q94-A98 PolarHBondContact O-N 2.87Å |
| 95 | A | 98.1 | Very high | 97.7 | Very high | 62 Ų | 62 | 103.9 Ų | 103.9 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q91 Q92 I97 A98 E99 | Q91-A95 PolarHBondContact O-N 3.23Å; Q92-A95 PolarHBondContact O-N 2.72Å; A95-I97 PolarHBondContact O-N 3.18Å; A95-A98 PolarHBondContact O-N 2.94Å; A95-E99 PolarHBondContact O-N 3Å |
| 96 | L | 98.4 | Very high | 97.9 | Very high | 86 Ų | 86 | 105 Ų | 105 | 45% | 0.45 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.1 | -174.7 | 66.7 | 0 | 0 | 0 | 112 | Q92 L93 A98 E99 K100 | Q92-L96 PolarHBondContact O-N 2.95Å; L93-L96 PolarHBondContact O-N 2.92Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 3.49Å; L96-E99 PolarHBondContact O-N 3.48Å; L96-K100 WeakPolarHBondContact O-CB 3.45Å; L96-K100 VanDerWaalsContact O-CG 3.29Å; L96-K100 WeakPolarHBondContact O-CG 3.3Å; L96-K100 PolarHBondContact O-N 3.33Å |
| 97 | I | 98.3 | Very high | 98 | Very high | 95 Ų | 95 | 102.2 Ų | 102.2 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 175.2 | -71.4 | 165.1 | 0 | 0 | 0 | 110.4 | L93 Q94 A95 K100 K101 | L93-I97 WeakPolarHBondContact O-CB 3.33Å; L93-I97 VanDerWaalsContact O-CG1 3.24Å; L93-I97 WeakPolarHBondContact O-CG1 3.04Å; L93-I97 PolarHBondContact O-N 3.18Å; Q94-I97 PolarHBondContact O-N 3.38Å; A95-I97 PolarHBondContact O-N 3.18Å; I97-K100 PolarHBondContact O-N 3.4Å; I97-K101 HydrophobicContact CG2-CD 4.23Å; I97-K101 HydrophobicContact CG2-CG 4.5Å; I97-K101 WeakPolarHBondContact O-CB 3.48Å; I97-K101 WeakPolarHBondContact O-CG 3.49Å; I97-K101 PolarHBondContact O-N 2.94Å |
| 98 | A | 98.3 | Very high | 98 | Very high | 59 Ų | 59 | 103.6 Ų | 103.6 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q94 A95 L96 K100 K101 M102 | Q94-A98 PolarHBondContact O-N 2.87Å; A95-A98 PolarHBondContact O-N 2.94Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 3.49Å; A98-K100 PolarHBondContact O-N 3.47Å; A98-K101 PolarHBondContact O-N 3.34Å; A98-M102 PolarHBondContact O-N 3.32Å |
| 99 | E | 98.3 | Very high | 98.1 | Very high | 92 Ų | 92 | 106.3 Ų | 106.3 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 175.7 | -169.8 | -163.2 | 147.7 | 0 | 0 | 111.6 | A95 L96 K101 M102 Q103 | A95-E99 PolarHBondContact O-N 3Å; L96-E99 PolarHBondContact O-N 3.48Å; E99-K101 PolarHBondContact O-N 3.21Å; E99-M102 PolarHBondContact O-N 3.23Å; E99-Q103 WeakPolarHBondContact O-CG 3.38Å; E99-Q103 PolarHBondContact O-N 2.9Å; E99-Q103 PolarHBondContact OE1-NE2 3.38Å |
| 100 | K | 98.3 | Very high | 98.1 | Very high | 111 Ų | 111 | 106.5 Ų | 106.5 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 179.7 | -68.8 | -70.1 | 162.8 | -157.2 | 0 | 112.6 | L96 I97 A98 Q103 L104 | L96-K100 WeakPolarHBondContact O-CB 3.45Å; L96-K100 VanDerWaalsContact O-CG 3.29Å; L96-K100 WeakPolarHBondContact O-CG 3.3Å; L96-K100 PolarHBondContact O-N 3.33Å; I97-K100 PolarHBondContact O-N 3.4Å; A98-K100 PolarHBondContact O-N 3.47Å; K100-Q103 PolarHBondContact O-N 2.92Å; K100-L104 WeakPolarHBondContact O-CB 3.33Å; K100-L104 PolarHBondContact O-N 3.27Å |
| 101 | K | 98.3 | Very high | 98.2 | Very high | 145 Ų | 145 | 109.1 Ų | 109.1 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 173.1 | -77.8 | -178.6 | 176.4 | -174.5 | 0 | 111.8 | I97 A98 E99 L104 E105 | I97-K101 HydrophobicContact CG2-CD 4.23Å; I97-K101 HydrophobicContact CG2-CG 4.5Å; I97-K101 WeakPolarHBondContact O-CB 3.48Å; I97-K101 WeakPolarHBondContact O-CG 3.49Å; I97-K101 PolarHBondContact O-N 2.94Å; A98-K101 PolarHBondContact O-N 3.34Å; E99-K101 PolarHBondContact O-N 3.21Å; K101-L104 PolarHBondContact O-N 3.01Å; K101-E105 PolarHBondContact O-N 3.37Å |
| 102 | M | 98.1 | Very high | 98.2 | Very high | 137 Ų | 137 | 108.8 Ų | 108.8 | 68% | 0.675 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 176.9 | -169.6 | -176.5 | 77.4 | 0 | 0 | 111.8 | A98 E99 L104 E105 R106 | A98-M102 PolarHBondContact O-N 3.32Å; E99-M102 PolarHBondContact O-N 3.23Å; M102-L104 VanDerWaalsContact C-N 3.35Å; M102-E105 PolarHBondContact O-N 3.32Å; M102-R106 PolarHBondContact O-N 2.88Å |
| 103 | Q | 98.2 | Very high | 98.2 | Very high | 45 Ų | 45 | 104.7 Ų | 104.7 | 21% | 0.21 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 174.7 | -74.8 | 171.6 | 0.4 | 0 | 0 | 111.6 | E99 K100 R106 Y107 | E99-Q103 WeakPolarHBondContact O-CG 3.38Å; E99-Q103 PolarHBondContact O-N 2.9Å; E99-Q103 PolarHBondContact OE1-NE2 3.38Å; K100-Q103 PolarHBondContact O-N 2.92Å; Q103-R106 PolarHBondContact O-N 2.96Å; Q103-Y107 HydrophobicContact CB-CE2 4.36Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.34Å; Q103-Y107 PolarHBondContact O-N 2.89Å |
| 104 | L | 98.3 | Very high | 98.2 | Very high | 119 Ų | 119 | 105 Ų | 105 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 177.8 | -177 | 67.5 | 0 | 0 | 0 | 111.8 | K100 K101 M102 R106 Y107 R108 | K100-L104 WeakPolarHBondContact O-CB 3.33Å; K100-L104 PolarHBondContact O-N 3.27Å; K101-L104 PolarHBondContact O-N 3.01Å; M102-L104 VanDerWaalsContact C-N 3.35Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.19Å; L104-Y107 PolarHBondContact O-N 3.44Å; L104-R108 PolarHBondContact O-N 3Å |
| 105 | E | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 102 Ų | 102 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 179.3 | -166.5 | 61.6 | -161.9 | 0 | 0 | 111.6 | K101 M102 Y107 R108 I109 | K101-E105 PolarHBondContact O-N 3.37Å; M102-E105 PolarHBondContact O-N 3.32Å; E105-Y107 PolarHBondContact O-N 3.48Å; E105-R108 WeakPolarHBondContact O-CB 3.46Å; E105-R108 PolarHBondContact O-N 3.22Å; E105-I109 HydrophobicContact CG-CD1 4.4Å; E105-I109 WeakPolarHBondContact O-CG1 3.42Å; E105-I109 PolarHBondContact O-N 3.34Å |
| 106 | R | 98.4 | Very high | 98.1 | Very high | 137 Ų | 137 | 105.5 Ų | 105.5 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 173.5 | -173.6 | -172 | 69.2 | -173.6 | -0.7 | 111.6 | M102 Q103 L104 R108 I109 E110 | M102-R106 PolarHBondContact O-N 2.88Å; Q103-R106 PolarHBondContact O-N 2.96Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.19Å; R106-R108 VanDerWaalsContact C-N 3.27Å; R106-R108 PolarHBondContact O-N 2.97Å; R106-I109 PolarHBondContact O-N 2.92Å; R106-E110 WeakPolarHBondContact O-CB 3.32Å; R106-E110 PolarHBondContact O-N 2.93Å |
| 107 | Y | 98.3 | Very high | 98.1 | Very high | 124 Ų | 124 | 104.5 Ų | 104.5 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -34.5 | 179 | -69 | -46.4 | 0 | 0 | 0 | 112.6 | Q103 L104 E105 E110 Y111 | Q103-Y107 HydrophobicContact CB-CE2 4.36Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.34Å; Q103-Y107 PolarHBondContact O-N 2.89Å; L104-Y107 PolarHBondContact O-N 3.44Å; E105-Y107 PolarHBondContact O-N 3.48Å; Y107-E110 PolarHBondContact O-N 2.98Å; Y107-Y111 VanDerWaalsContact O-CB 3.31Å; Y107-Y111 WeakPolarHBondContact O-CB 3.38Å; Y107-Y111 PolarHBondContact O-N 3.11Å |
| 108 | R | 98.4 | Very high | 98 | Very high | 145 Ų | 145 | 105.3 Ų | 105.3 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.5 | -173.1 | -176.3 | 179.9 | 164.8 | 6.1 | 111.6 | L104 E105 R106 E110 Y111 E112 | L104-R108 PolarHBondContact O-N 3Å; E105-R108 WeakPolarHBondContact O-CB 3.46Å; E105-R108 PolarHBondContact O-N 3.22Å; R106-R108 VanDerWaalsContact C-N 3.27Å; R106-R108 PolarHBondContact O-N 2.97Å; R108-E110 VanDerWaalsContact C-N 3.33Å; R108-E110 PolarHBondContact O-N 3.45Å; R108-Y111 PolarHBondContact O-N 2.91Å; R108-E112 IonicContact NE-OE1 2.74Å; R108-E112 PolarHBondContact NE-OE1 3.34Å; R108-E112 WeakPolarHBondContact O-CG 3.43Å; R108-E112 PolarHBondContact O-N 2.93Å |
| 109 | I | 98.2 | Very high | 98 | Very high | 102 Ų | 102 | 104.7 Ų | 104.7 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.4 | -66 | 166.8 | 0 | 0 | 0 | 110.7 | E105 R106 E112 A113 | E105-I109 HydrophobicContact CG-CD1 4.4Å; E105-I109 WeakPolarHBondContact O-CG1 3.42Å; E105-I109 PolarHBondContact O-N 3.34Å; R106-I109 PolarHBondContact O-N 2.92Å; I109-E112 PolarHBondContact O-N 2.72Å; I109-A113 WeakPolarHBondContact O-CB 3.39Å; I109-A113 PolarHBondContact O-N 3.41Å |
| 110 | E | 97.8 | Very high | 97.9 | Very high | 103 Ų | 103 | 105.1 Ų | 105.1 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 177.8 | -172.9 | 175.4 | -175.1 | 0 | 0 | 111.7 | R106 Y107 R108 A113 L114 | R106-E110 WeakPolarHBondContact O-CB 3.32Å; R106-E110 PolarHBondContact O-N 2.93Å; Y107-E110 PolarHBondContact O-N 2.98Å; R108-E110 VanDerWaalsContact C-N 3.33Å; R108-E110 PolarHBondContact O-N 3.45Å; E110-A113 PolarHBondContact O-N 3.03Å; E110-L114 HydrophobicContact CG-CD1 4.28Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 3.04Å |
| 111 | Y | 98.3 | Very high | 97.7 | Very high | 163 Ų | 163 | 105.3 Ų | 105.3 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 175.2 | 175.7 | -93.7 | 0 | 0 | 0 | 112.2 | Y107 R108 A113 L114 S115 | Y107-Y111 VanDerWaalsContact O-CB 3.31Å; Y107-Y111 WeakPolarHBondContact O-CB 3.38Å; Y107-Y111 PolarHBondContact O-N 3.11Å; R108-Y111 PolarHBondContact O-N 2.91Å; Y111-A113 VanDerWaalsContact C-N 3.31Å; Y111-A113 PolarHBondContact O-N 3.3Å; Y111-L114 PolarHBondContact O-N 3.49Å; Y111-S115 WeakPolarHBondContact O-CB 3.24Å; Y111-S115 PolarHBondContact O-N 3.27Å |
| 112 | E | 98 | Very high | 97.5 | Very high | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 178.2 | -74.3 | 174.7 | -167.6 | 0 | 0 | 111.4 | R108 I109 K116 | R108-E112 IonicContact NE-OE1 2.74Å; R108-E112 PolarHBondContact NE-OE1 3.34Å; R108-E112 WeakPolarHBondContact O-CG 3.43Å; R108-E112 PolarHBondContact O-N 2.93Å; I109-E112 PolarHBondContact O-N 2.72Å; E112-K116 PolarHBondContact O-N 2.98Å; E112-K116 VanDerWaalsContact O-N 3.12Å |
| 113 | A | 97.8 | Very high | 97.3 | Very high | 56 Ų | 56 | 101.1 Ų | 101.1 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I109 E110 Y111 K116 V117 | I109-A113 WeakPolarHBondContact O-CB 3.39Å; I109-A113 PolarHBondContact O-N 3.41Å; E110-A113 PolarHBondContact O-N 3.03Å; Y111-A113 VanDerWaalsContact C-N 3.31Å; Y111-A113 PolarHBondContact O-N 3.3Å; A113-K116 PolarHBondContact O-N 3Å; A113-V117 WeakPolarHBondContact O-CG2 3.24Å; A113-V117 PolarHBondContact O-N 2.85Å; A113-V117 VanDerWaalsContact O-N 3.12Å |
| 114 | L | 97.7 | Very high | 97.1 | Very high | 110 Ų | 110 | 105.2 Ų | 105.2 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 178 | -73.9 | 170.9 | 0 | 0 | 0 | 112 | E110 Y111 K116 V117 E118 | E110-L114 HydrophobicContact CG-CD1 4.28Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 3.04Å; Y111-L114 PolarHBondContact O-N 3.49Å; L114-K116 VanDerWaalsContact C-N 3.27Å; L114-K116 PolarHBondContact O-N 3.04Å; L114-V117 PolarHBondContact O-N 3.23Å; L114-E118 WeakPolarHBondContact O-CB 3.37Å; L114-E118 PolarHBondContact O-N 2.81Å |
| 115 | S | 98 | Very high | 96.9 | Very high | 48 Ų | 48 | 103.7 Ų | 103.7 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 178 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | Y111 A119 | Y111-S115 WeakPolarHBondContact O-CB 3.24Å; Y111-S115 PolarHBondContact O-N 3.27Å; S115-A119 PolarHBondContact O-N 2.95Å |
| 116 | K | 97.4 | Very high | 96.6 | Very high | 136 Ų | 136 | 105 Ų | 105 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.5 | -46.2 | 173.1 | -169.5 | -175.9 | 178.6 | -164.2 | 0 | 112 | E112 A113 L114 E118 A119 E120 | E112-K116 PolarHBondContact O-N 2.98Å; E112-K116 VanDerWaalsContact O-N 3.12Å; A113-K116 PolarHBondContact O-N 3Å; L114-K116 VanDerWaalsContact C-N 3.27Å; L114-K116 PolarHBondContact O-N 3.04Å; K116-E118 VanDerWaalsContact C-N 3.32Å; K116-E118 PolarHBondContact O-N 3.49Å; K116-A119 PolarHBondContact O-N 3.01Å; K116-E120 VanDerWaalsContact CE-OE1 3.22Å; K116-E120 WeakPolarHBondContact CE-OE1 3.4Å; K116-E120 IonicContact NZ-OE1 3.21Å; K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 3.27Å |
| 117 | V | 97.6 | Very high | 96.1 | Very high | 66 Ų | 66 | 103.8 Ų | 103.8 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | A113 L114 E120 Q121 | A113-V117 WeakPolarHBondContact O-CG2 3.24Å; A113-V117 PolarHBondContact O-N 2.85Å; A113-V117 VanDerWaalsContact O-N 3.12Å; L114-V117 PolarHBondContact O-N 3.23Å; V117-E120 PolarHBondContact O-N 2.84Å; V117-Q121 HydrophobicContact CG1-CG 4.43Å; V117-Q121 WeakPolarHBondContact O-CB 3.47Å; V117-Q121 VanDerWaalsContact O-CG 3.29Å; V117-Q121 WeakPolarHBondContact O-CG 3.3Å; V117-Q121 PolarHBondContact O-N 2.74Å |
| 118 | E | 97.3 | Very high | 95.5 | Very high | 111 Ų | 111 | 103.7 Ų | 103.7 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 175 | -176.6 | -171.1 | -172.1 | 0 | 0 | 111.5 | L114 K116 Q121 N122 | L114-E118 WeakPolarHBondContact O-CB 3.37Å; L114-E118 PolarHBondContact O-N 2.81Å; K116-E118 VanDerWaalsContact C-N 3.32Å; K116-E118 PolarHBondContact O-N 3.49Å; E118-Q121 PolarHBondContact O-N 3.4Å; E118-N122 WeakPolarHBondContact O-CB 3.5Å; E118-N122 PolarHBondContact O-N 2.66Å; E118-N122 PolarHBondContact O-ND2 2.99Å |
| 119 | A | 96.6 | Very high | 94.8 | Very high | 47 Ų | 47 | 102.2 Ų | 102.2 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | S115 K116 Q121 N122 E123 | S115-A119 PolarHBondContact O-N 2.95Å; K116-A119 PolarHBondContact O-N 3.01Å; A119-Q121 VanDerWaalsContact C-N 3.32Å; A119-Q121 PolarHBondContact O-N 3.07Å; A119-N122 PolarHBondContact O-N 3.38Å; A119-E123 PolarHBondContact O-N 2.98Å |
| 120 | E | 96 | Very high | 93.6 | Very high | 101 Ų | 101 | 104.3 Ų | 104.3 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 176.4 | -71 | 172.2 | -172.4 | 0 | 0 | 111.9 | K116 V117 F124 | K116-E120 VanDerWaalsContact CE-OE1 3.22Å; K116-E120 WeakPolarHBondContact CE-OE1 3.4Å; K116-E120 IonicContact NZ-OE1 3.21Å; K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 3.27Å; V117-E120 PolarHBondContact O-N 2.84Å; E120-F124 WeakPolarHBondContact O-CB 3.49Å; E120-F124 PolarHBondContact O-N 3Å |
| 121 | Q | 95.1 | Very high | 91.9 | Very high | 115 Ų | 115 | 107.2 Ų | 107.2 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 176 | -74.1 | 177.6 | 2.9 | 0 | 0 | 112.3 | V117 E118 A119 F124 I125 | V117-Q121 HydrophobicContact CG1-CG 4.43Å; V117-Q121 WeakPolarHBondContact O-CB 3.47Å; V117-Q121 VanDerWaalsContact O-CG 3.29Å; V117-Q121 WeakPolarHBondContact O-CG 3.3Å; V117-Q121 PolarHBondContact O-N 2.74Å; E118-Q121 PolarHBondContact O-N 3.4Å; A119-Q121 VanDerWaalsContact C-N 3.32Å; A119-Q121 PolarHBondContact O-N 3.07Å; Q121-F124 WeakPolarHBondContact O-CB 3.5Å; Q121-F124 PolarHBondContact O-N 3.23Å; Q121-I125 VanDerWaalsContact O-CG1 3.29Å; Q121-I125 WeakPolarHBondContact O-CG1 3.49Å; Q121-I125 PolarHBondContact O-N 2.71Å |
| 122 | N | 94.9 | Very high | 89.6 | Confident | 79 Ų | 79 | 110.4 Ų | 110.4 | 42% | 0.422 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 177.3 | -75.8 | -26.4 | 0 | 0 | 0 | 111.5 | E118 A119 F124 I125 E126 | E118-N122 WeakPolarHBondContact O-CB 3.5Å; E118-N122 PolarHBondContact O-N 2.66Å; E118-N122 PolarHBondContact O-ND2 2.99Å; A119-N122 PolarHBondContact O-N 3.38Å; N122-F124 VanDerWaalsContact C-N 3.31Å; N122-F124 PolarHBondContact O-N 3Å; N122-I125 PolarHBondContact O-N 2.82Å; N122-E126 WeakPolarHBondContact O-CG 3.31Å; N122-E126 PolarHBondContact O-N 2.63Å |
| 123 | E | 93.9 | Very high | 89.2 | Confident | 114 Ų | 114 | 110.8 Ų | 110.8 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.5 | -43.1 | 174 | -75.5 | -177.4 | -177.5 | 0 | 0 | 111.7 | A119 I125 E126 Q127 | A119-E123 PolarHBondContact O-N 2.98Å; E123-I125 PolarHBondContact O-N 2.91Å; E123-E126 PolarHBondContact O-N 3.3Å; E123-Q127 VanDerWaalsContact O-CG 3.3Å; E123-Q127 WeakPolarHBondContact O-CG 3.49Å; E123-Q127 PolarHBondContact O-N 2.85Å |
| 124 | F | 93.6 | Very high | 88.8 | Confident | 131 Ų | 131 | 113.6 Ų | 113.6 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.1 | -44.2 | 175.9 | 178.4 | -97.7 | 0 | 0 | 0 | 112 | E120 Q121 N122 Q127 F128 | E120-F124 WeakPolarHBondContact O-CB 3.49Å; E120-F124 PolarHBondContact O-N 3Å; Q121-F124 WeakPolarHBondContact O-CB 3.5Å; Q121-F124 PolarHBondContact O-N 3.23Å; N122-F124 VanDerWaalsContact C-N 3.31Å; N122-F124 PolarHBondContact O-N 3Å; F124-Q127 PolarHBondContact O-N 3.18Å; F124-F128 HydrophobicContact CZ-CD2 4.41Å; F124-F128 WeakPolarHBondContact O-CB 3.23Å; F124-F128 PolarHBondContact O-N 3.05Å |
| 125 | I | 93.5 | Very high | 88.3 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 45% | 0.451 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -46.1 | 177.3 | -69.7 | 165.7 | 0 | 0 | 0 | 110.6 | Q121 N122 E123 Q127 F128 I129 | Q121-I125 VanDerWaalsContact O-CG1 3.29Å; Q121-I125 WeakPolarHBondContact O-CG1 3.49Å; Q121-I125 PolarHBondContact O-N 2.71Å; N122-I125 PolarHBondContact O-N 2.82Å; E123-I125 PolarHBondContact O-N 2.91Å; I125-Q127 PolarHBondContact O-N 3.17Å; I125-F128 PolarHBondContact O-N 3.11Å; I125-I129 HydrophobicContact CG2-CD1 3.66Å; I125-I129 HydrophobicContact CG2-CG1 4.33Å; I125-I129 VanDerWaalsContact O-CG1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.5Å; I125-I129 PolarHBondContact O-N 3.07Å |
| 126 | E | 91.7 | Very high | 87.7 | Confident | 124 Ų | 124 | 117.7 Ų | 117.7 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.2 | -46.3 | 178 | -75.1 | -178.8 | 180 | 0 | 0 | 111.8 | N122 E123 F128 I129 L130 | N122-E126 WeakPolarHBondContact O-CG 3.31Å; N122-E126 PolarHBondContact O-N 2.63Å; E123-E126 PolarHBondContact O-N 3.3Å; E126-F128 VanDerWaalsContact C-N 3.32Å; E126-F128 PolarHBondContact O-N 3.07Å; E126-I129 PolarHBondContact O-N 3.43Å; E126-L130 WeakPolarHBondContact O-CB 2.93Å; E126-L130 WeakPolarHBondContact O-CG 3.38Å; E126-L130 PolarHBondContact O-N 3.43Å |
| 127 | Q | 88.6 | Confident | 87.1 | Confident | 113 Ų | 113 | 116.6 Ų | 116.6 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.1 | -40.7 | 175.8 | -71.4 | 176.2 | 20.6 | 0 | 0 | 112.1 | E123 F124 I125 L130 Q131 | E123-Q127 VanDerWaalsContact O-CG 3.3Å; E123-Q127 WeakPolarHBondContact O-CG 3.49Å; E123-Q127 PolarHBondContact O-N 2.85Å; F124-Q127 PolarHBondContact O-N 3.18Å; I125-Q127 PolarHBondContact O-N 3.17Å; Q127-L130 PolarHBondContact O-N 3.5Å; Q127-Q131 WeakPolarHBondContact O-CG 3.39Å; Q127-Q131 PolarHBondContact O-N 3.28Å |
| 128 | F | 85.9 | Confident | 86.4 | Confident | 121 Ų | 121 | 119.9 Ų | 119.9 | 53% | 0.531 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.4 | -33.9 | 179.2 | -160.4 | -92.1 | 0 | 0 | 0 | 112.6 | F124 I125 E126 | F124-F128 HydrophobicContact CZ-CD2 4.41Å; F124-F128 WeakPolarHBondContact O-CB 3.23Å; F124-F128 PolarHBondContact O-N 3.05Å; I125-F128 PolarHBondContact O-N 3.11Å; E126-F128 VanDerWaalsContact C-N 3.32Å; E126-F128 PolarHBondContact O-N 3.07Å |
| 129 | I | 82.7 | Confident | 85.6 | Confident | 115 Ų | 115 | 120.6 Ų | 120.6 | 59% | 0.59 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.6 | -39.6 | 174.7 | -69.3 | 170.3 | 0 | 0 | 0 | 110.9 | I125 E126 Q131 K132 | I125-I129 HydrophobicContact CG2-CD1 3.66Å; I125-I129 HydrophobicContact CG2-CG1 4.33Å; I125-I129 VanDerWaalsContact O-CG1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.5Å; I125-I129 PolarHBondContact O-N 3.07Å; E126-I129 PolarHBondContact O-N 3.43Å; I129-Q131 VanDerWaalsContact C-N 3.3Å; I129-Q131 PolarHBondContact O-N 3.03Å; I129-K132 PolarHBondContact O-N 3.24Å |
| 130 | L | 72.4 | Confident | 84.8 | Confident | 145 Ų | 145 | 126.2 Ų | 126.2 | 76% | 0.759 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73 | -16.7 | -179.9 | -75.8 | 163.4 | 0 | 0 | 0 | 114.3 | E126 Q127 | E126-L130 WeakPolarHBondContact O-CB 2.93Å; E126-L130 WeakPolarHBondContact O-CG 3.38Å; E126-L130 PolarHBondContact O-N 3.43Å; Q127-L130 PolarHBondContact O-N 3.5Å |
| 131 | Q | 63.4 | Low | 83.8 | Confident | 164 Ų | 164 | 128.3 Ų | 128.3 | 77% | 0.766 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 1.4 | 177.4 | -75.9 | -175.7 | 1.1 | 0 | 0 | 114.3 | Q127 I129 | Q127-Q131 WeakPolarHBondContact O-CG 3.39Å; Q127-Q131 PolarHBondContact O-N 3.28Å; I129-Q131 VanDerWaalsContact C-N 3.3Å; I129-Q131 PolarHBondContact O-N 3.03Å |
| 132 | K | 50.4 | Low | 82.8 | Confident | 231 Ų | 231 | 129.5 Ų | 129.5 | 100% | 1.004 | 61% | 0.613 | S | S | * | * | trans | -103.4 | 0 | 169 | -86.3 | -171.2 | 174.2 | -177.9 | 0 | 111.3 | I129 | I129-K132 PolarHBondContact O-N 3.24Š|
Retrieved 132 of 132 residues in 648.9 ms
(Link to these results)