| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.9 | Very low | 66.2 | Low | 242 Ų | 242 | 128.7 Ų | 128.7 | 100% | 1.192 | 66% | 0.66 | S | S | * | * | 0 | 100.6 | 0 | -63.7 | -165.1 | -157.9 | 0 | 0 | 106.8 | N3 | M1-N3 PolarHBondContact O-N 3.46Š| |||
| 2 | T | 45.1 | Very low | 67.9 | Low | 129 Ų | 129 | 135.1 Ų | 135.1 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | -86.1 | 103.5 | 172.7 | 42.2 | 0 | 0 | 0 | 0 | 107 | E4 | T2-E4 PolarHBondContact O-N 3.33Š| ||
| 3 | N | 48.7 | Very low | 69.2 | Low | 170 Ų | 170 | 128.9 Ų | 128.9 | 91% | 0.909 | 64% | 0.64 | S | S | * | * | trans | -69 | 77.6 | 162.3 | -98.6 | -11.6 | 0 | 0 | 0 | 106.7 | M1 E5 | M1-N3 PolarHBondContact O-N 3.46Å; N3-E5 PolarHBondContact O-N 3.39Å | ||
| 4 | E | 59.3 | Low | 70.4 | Confident | 130 Ų | 130 | 123.3 Ų | 123.3 | 61% | 0.607 | 62% | 0.62 | S | S | * | * | trans | -74.4 | 112.1 | 164.7 | -78.9 | -145 | 161 | 0 | 0 | 107.2 | T2 K43 | T2-E4 PolarHBondContact O-N 3.33Å; E4-K43 IonicContact OE1-NZ 2.97Å; E4-K43 IonicContact OE2-NZ 2.8Å; E4-K43 PolarHBondContact OE2-NZ 2.93Å | ||
| 5 | E | 60.3 | Low | 71.3 | Confident | 177 Ų | 177 | 125.9 Ų | 125.9 | 83% | 0.827 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 133 | 168.9 | -151.2 | 167.9 | -161 | 0 | 0 | 108.4 | N3 L7 | N3-E5 PolarHBondContact O-N 3.39Å; E5-L7 PolarHBondContact O-N 3.03Å; E5-L7 VanDerWaalsContact O-N 3.16Å |
| 6 | P | 69.4 | Low | 72.1 | Confident | 118 Ų | 118 | 123.8 Ų | 123.8 | 77% | 0.766 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 124.2 | -172.4 | 21.6 | -31.3 | 0 | 0 | 0 | 110.4 | ||
| 7 | L | 71.6 | Confident | 72.9 | Confident | 80 Ų | 80 | 119.7 Ų | 119.7 | 42% | 0.419 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -50.1 | 136.1 | 180 | -77.7 | 161.5 | 0 | 0 | 0 | 110.7 | E5 K9 A39 K43 | E5-L7 PolarHBondContact O-N 3.03Å; E5-L7 VanDerWaalsContact O-N 3.16Å; L7-K9 PolarHBondContact O-N 3.26Å; L7-A39 HydrophobicContact CD2-CB 3.95Å; L7-K43 HydrophobicContact CD1-CD 4.47Å |
| 8 | P | 82.3 | Confident | 73.4 | Confident | 49 Ų | 49 | 119.6 Ų | 119.6 | 32% | 0.318 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -52.3 | 142.9 | 174 | -24.5 | 32.8 | 0 | 0 | 0 | 110.7 | Y36 A39 | P8-Y36 WeakPolarHBondContact O-CD2 3.37Å; P8-Y36 WeakPolarHBondContact O-CE2 3.3Å; P8-A39 HydrophobicContact CG-CB 4.1Å |
| 9 | K | 83.1 | Confident | 74.1 | Confident | 188 Ų | 188 | 122.5 Ų | 122.5 | 82% | 0.817 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 134.1 | -179.9 | -68.1 | -178.7 | -178.5 | 176.9 | 0 | 109.9 | L7 V11 | L7-K9 PolarHBondContact O-N 3.26Å; K9-V11 PolarHBondContact O-N 3.12Å; K9-V11 VanDerWaalsContact O-N 3.08Å |
| 10 | K | 86.9 | Confident | 74.8 | Confident | 112 Ų | 112 | 122.7 Ų | 122.7 | 49% | 0.487 | 62% | 0.616 | S | S | . | * | trans | -59.4 | 114.2 | 173.4 | -175.1 | 172.9 | -178 | 170.1 | 0 | 110.3 | Y36 | K10-Y36 HydrophobicContact CB-CD1 4.08Å; K10-Y36 HydrophobicContact CB-CE1 3.66Å; K10-Y36 HydrophobicContact CB-CE2 4.2Å; K10-Y36 HydrophobicContact CB-CG 4.49Å; K10-Y36 HydrophobicContact CD-CE1 3.88Å; K10-Y36 HydrophobicContact CG-CD1 4.1Å; K10-Y36 HydrophobicContact CG-CE1 3.67Å | ||
| 11 | V | 87.8 | Confident | 75.6 | Confident | 21 Ų | 21 | 118.7 Ų | 118.7 | 13% | 0.127 | 60% | 0.596 | C | S | . | * | trans | -74.5 | 134.6 | 170.9 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | K9 L13 R29 Q32 | K9-V11 PolarHBondContact O-N 3.12Å; K9-V11 VanDerWaalsContact O-N 3.08Å; V11-L13 HydrophobicContact CG1-CD2 4.33Å; V11-L13 HydrophobicContact CG1-CG 4.22Å; V11-R29 HydrophobicContact CG1-CB 4.07Å; V11-R29 HydrophobicContact CG1-CG 4.41Å; V11-Q32 HydrophobicContact CG2-CB 3.56Å | ||
| 12 | R | 86 | Confident | 78.3 | Confident | 205 Ų | 205 | 109.8 Ų | 109.8 | 77% | 0.774 | 56% | 0.561 | S | S | * | * | trans | -118.3 | 129.4 | 169.4 | -65.9 | -174.3 | -178.5 | -179 | -0.4 | 108.3 | ||||
| 13 | L | 85.8 | Confident | 80.4 | Confident | 55 Ų | 55 | 112.7 Ų | 112.7 | 29% | 0.288 | 56% | 0.558 | S | S | . | * | trans | -118.7 | 135.9 | 172.9 | -63.1 | 175.5 | 0 | 0 | 0 | 108.1 | V11 D17 F18 M21 L26 R29 | V11-L13 HydrophobicContact CG1-CD2 4.33Å; V11-L13 HydrophobicContact CG1-CG 4.22Å; L13-D17 HydrophobicContact CD2-CB 4.42Å; L13-F18 HydrophobicContact CB-CE2 3.78Å; L13-F18 HydrophobicContact CB-CZ 3.81Å; L13-F18 HydrophobicContact CD1-CE1 4.1Å; L13-F18 HydrophobicContact CD1-CZ 3.87Å; L13-M21 HydrophobicContact CD2-SD 4.08Å; L13-L26 HydrophobicContact CD1-CD1 4.15Å; L13-R29 HydrophobicContact CD1-CB 4.12Å; L13-R29 HydrophobicContact CD2-CB 4.21Å; L13-R29 HydrophobicContact CD2-CG 4.13Å | ||
| 14 | S | 85.9 | Confident | 82.5 | Confident | 50 Ų | 50 | 110.2 Ų | 110.2 | 35% | 0.35 | 54% | 0.544 | S | S | . | . | trans | -97.4 | 162 | 173.8 | 67.6 | 0 | 0 | 0 | 0 | 110.8 | T16 D17 F18 | S14-T16 PolarHBondContact O-N 3.4Å; S14-T16 VanDerWaalsContact O-N 3.17Å; S14-T16 PolarHBondContact OG-OG1 2.87Å; S14-D17 WeakPolarHBondContact CB-OD2 3.26Å; S14-D17 PolarHBondContact N-OD2 2.85Å; S14-D17 WeakPolarHBondContact O-CB 3.47Å; S14-D17 PolarHBondContact O-N 3.42Å; S14-D17 PolarHBondContact OG-OD1 3.13Å; S14-D17 PolarHBondContact OG-OD2 3.38Å; S14-F18 WeakPolarHBondContact O-CD2 3.36Å | ||
| 15 | E | 83.1 | Confident | 84 | Confident | 162 Ų | 162 | 108.9 Ų | 108.9 | 76% | 0.757 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30.4 | 178 | -75.2 | -171.4 | 173.5 | 0 | 0 | 113.7 | D17 | E15-D17 VanDerWaalsContact C-N 3.35Š|
| 16 | T | 83.8 | Confident | 85.3 | Confident | 92 Ų | 92 | 103 Ų | 103 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -34 | 176 | 43.7 | 0 | 0 | 0 | 0 | 112.2 | S14 F18 K19 V20 | S14-T16 PolarHBondContact O-N 3.4Å; S14-T16 VanDerWaalsContact O-N 3.17Å; S14-T16 PolarHBondContact OG-OG1 2.87Å; T16-F18 VanDerWaalsContact C-N 3.31Å; T16-F18 PolarHBondContact O-N 3.29Å; T16-K19 PolarHBondContact O-N 3.44Å; T16-K19 VanDerWaalsContact O-N 3.12Å; T16-V20 WeakPolarHBondContact O-CG2 3.37Å; T16-V20 PolarHBondContact O-N 3.38Å |
| 17 | D | 85.5 | Confident | 86.4 | Confident | 55 Ų | 55 | 100.1 Ų | 100.1 | 29% | 0.294 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | -179.7 | -59.7 | -38.5 | 0 | 0 | 0 | 111 | L13 S14 E15 K19 V20 M21 | L13-D17 HydrophobicContact CD2-CB 4.42Å; S14-D17 WeakPolarHBondContact CB-OD2 3.26Å; S14-D17 PolarHBondContact N-OD2 2.85Å; S14-D17 WeakPolarHBondContact O-CB 3.47Å; S14-D17 PolarHBondContact O-N 3.42Å; S14-D17 PolarHBondContact OG-OD1 3.13Å; S14-D17 PolarHBondContact OG-OD2 3.38Å; E15-D17 VanDerWaalsContact C-N 3.35Å; D17-K19 PolarHBondContact O-N 3.02Å; D17-V20 PolarHBondContact O-N 3.17Å; D17-M21 HydrophobicContact CB-CG 4.28Å; D17-M21 HydrophobicContact CB-SD 3.84Å; D17-M21 VanDerWaalsContact O-CB 3.23Å; D17-M21 WeakPolarHBondContact O-CB 3.28Å; D17-M21 WeakPolarHBondContact O-CG 3.46Å; D17-M21 PolarHBondContact O-N 3.48Å |
| 18 | F | 82.6 | Confident | 87.3 | Confident | 118 Ų | 118 | 101.1 Ų | 101.1 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -22.5 | 176.5 | -68.2 | -79.1 | 0 | 0 | 0 | 113.9 | L13 S14 T16 L26 | L13-F18 HydrophobicContact CB-CE2 3.78Å; L13-F18 HydrophobicContact CB-CZ 3.81Å; L13-F18 HydrophobicContact CD1-CE1 4.1Å; L13-F18 HydrophobicContact CD1-CZ 3.87Å; S14-F18 WeakPolarHBondContact O-CD2 3.36Å; T16-F18 VanDerWaalsContact C-N 3.31Å; T16-F18 PolarHBondContact O-N 3.29Å; F18-L26 HydrophobicContact CD1-CD1 3.68Å; F18-L26 HydrophobicContact CD1-CD2 3.94Å; F18-L26 HydrophobicContact CD1-CG 4.35Å; F18-L26 HydrophobicContact CE1-CD1 3.89Å; F18-L26 HydrophobicContact CE1-CD2 4.19Å; F18-L26 HydrophobicContact CE1-CG 4.38Å |
| 19 | K | 87.3 | Confident | 87.6 | Confident | 175 Ų | 175 | 103.5 Ų | 103.5 | 76% | 0.761 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -90.6 | -22.4 | 179.6 | -64.9 | 179.5 | -176.7 | 174.7 | 0 | 113.1 | T16 D17 | T16-K19 PolarHBondContact O-N 3.44Å; T16-K19 VanDerWaalsContact O-N 3.12Å; D17-K19 PolarHBondContact O-N 3.02Å |
| 20 | V | 88.5 | Confident | 88 | Confident | 125 Ų | 125 | 101.4 Ų | 101.4 | 76% | 0.758 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -111.7 | -27.2 | -169.5 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | T16 D17 | T16-V20 WeakPolarHBondContact O-CG2 3.37Å; T16-V20 PolarHBondContact O-N 3.38Å; D17-V20 PolarHBondContact O-N 3.17Å |
| 21 | M | 90.4 | Very high | 88.2 | Confident | 40 Ų | 40 | 101.8 Ų | 101.8 | 20% | 0.197 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -77.8 | 145.2 | -177.6 | -67.9 | -176.4 | 76.7 | 0 | 0 | 112.8 | L13 D17 E25 L26 R29 | L13-M21 HydrophobicContact CD2-SD 4.08Å; D17-M21 HydrophobicContact CB-CG 4.28Å; D17-M21 HydrophobicContact CB-SD 3.84Å; D17-M21 VanDerWaalsContact O-CB 3.23Å; D17-M21 WeakPolarHBondContact O-CB 3.28Å; D17-M21 WeakPolarHBondContact O-CG 3.46Å; D17-M21 PolarHBondContact O-N 3.48Å; M21-E25 HydrophobicContact CE-CB 3.51Å; M21-L26 HydrophobicContact CB-CD1 4.49Å; M21-L26 HydrophobicContact SD-CD1 4.42Å; M21-R29 HydrophobicContact CE-CG 3.99Å |
| 22 | A | 91.3 | Very high | 88.3 | Confident | 55 Ų | 55 | 104.8 Ų | 104.8 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | trans | -69.5 | 151.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D24 E25 L26 | A22-D24 PolarHBondContact O-N 2.7Å; A22-E25 HydrophobicContact CB-CG 4.35Å; A22-E25 PolarHBondContact O-N 3.5Å; A22-E25 VanDerWaalsContact O-N 3.1Å; A22-L26 PolarHBondContact O-N 2.82Å; A22-L26 VanDerWaalsContact O-N 3.11Å | ||
| 23 | R | 89.7 | Confident | 88.5 | Confident | 190 Ų | 190 | 99.9 Ų | 99.9 | 72% | 0.717 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -52.2 | -41.9 | -179.2 | -178.1 | 177.6 | 178.4 | -88.2 | 1.6 | 112.8 | L26 I27 | R23-L26 WeakPolarHBondContact O-CB 3.37Å; R23-L26 PolarHBondContact O-N 2.82Å; R23-I27 HydrophobicContact CG-CD1 4.04Å; R23-I27 VanDerWaalsContact O-CG1 3.31Å; R23-I27 WeakPolarHBondContact O-CG1 3.48Å; R23-I27 PolarHBondContact O-N 3.42Å |
| 24 | D | 92.1 | Very high | 88.9 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.3 | -35 | -177.1 | -63.3 | -27.2 | 0 | 0 | 0 | 112.4 | A22 I27 L28 | A22-D24 PolarHBondContact O-N 2.7Å; D24-I27 PolarHBondContact O-N 2.91Å; D24-L28 PolarHBondContact O-N 3.29Å |
| 25 | E | 89.6 | Confident | 89.1 | Confident | 101 Ų | 101 | 101.3 Ų | 101.3 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -38.4 | 174.3 | -59.5 | -177.8 | 159.8 | 0 | 0 | 111.2 | M21 A22 I27 L28 R29 | M21-E25 HydrophobicContact CE-CB 3.51Å; A22-E25 HydrophobicContact CB-CG 4.35Å; A22-E25 PolarHBondContact O-N 3.5Å; A22-E25 VanDerWaalsContact O-N 3.1Å; E25-I27 VanDerWaalsContact C-N 3.34Å; E25-L28 PolarHBondContact O-N 2.87Å; E25-R29 VanDerWaalsContact O-CG 3.28Å; E25-R29 WeakPolarHBondContact O-CG 3.47Å; E25-R29 PolarHBondContact O-N 3.3Å |
| 26 | L | 89.5 | Confident | 89.6 | Confident | 54 Ų | 54 | 95.9 Ų | 95.9 | 28% | 0.283 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.7 | -151.7 | 80.3 | 0 | 0 | 0 | 111.4 | L13 F18 M21 A22 R23 L28 R29 W30 | L13-L26 HydrophobicContact CD1-CD1 4.15Å; F18-L26 HydrophobicContact CD1-CD1 3.68Å; F18-L26 HydrophobicContact CD1-CD2 3.94Å; F18-L26 HydrophobicContact CD1-CG 4.35Å; F18-L26 HydrophobicContact CE1-CD1 3.89Å; F18-L26 HydrophobicContact CE1-CD2 4.19Å; F18-L26 HydrophobicContact CE1-CG 4.38Å; M21-L26 HydrophobicContact CB-CD1 4.49Å; M21-L26 HydrophobicContact SD-CD1 4.42Å; A22-L26 PolarHBondContact O-N 2.82Å; A22-L26 VanDerWaalsContact O-N 3.11Å; R23-L26 WeakPolarHBondContact O-CB 3.37Å; R23-L26 PolarHBondContact O-N 2.82Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-R29 PolarHBondContact O-N 3.21Å; L26-W30 WeakPolarHBondContact O-CB 3.31Å; L26-W30 PolarHBondContact O-N 2.86Å |
| 27 | I | 91.2 | Very high | 90 | Very high | 57 Ų | 57 | 93.4 Ų | 93.4 | 29% | 0.292 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.4 | -69.2 | 165.5 | 0 | 0 | 0 | 110.5 | R23 D24 E25 W30 K31 | R23-I27 HydrophobicContact CG-CD1 4.04Å; R23-I27 VanDerWaalsContact O-CG1 3.31Å; R23-I27 WeakPolarHBondContact O-CG1 3.48Å; R23-I27 PolarHBondContact O-N 3.42Å; D24-I27 PolarHBondContact O-N 2.91Å; E25-I27 VanDerWaalsContact C-N 3.34Å; I27-W30 PolarHBondContact O-N 3.37Å; I27-K31 HydrophobicContact CG2-CD 4.35Å; I27-K31 WeakPolarHBondContact O-CG 3.34Å; I27-K31 PolarHBondContact O-N 2.97Å |
| 28 | L | 90.9 | Very high | 90.4 | Very high | 101 Ų | 101 | 97.4 Ų | 97.4 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 178.1 | -175.6 | 65.6 | 0 | 0 | 0 | 111.6 | D24 E25 L26 K31 Q32 | D24-L28 PolarHBondContact O-N 3.29Å; E25-L28 PolarHBondContact O-N 2.87Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L28-K31 PolarHBondContact O-N 2.85Å; L28-Q32 WeakPolarHBondContact O-CG 3.47Å; L28-Q32 PolarHBondContact O-N 3.35Å; L28-Q32 VanDerWaalsContact O-N 3.07Å |
| 29 | R | 89.1 | Confident | 90.9 | Very high | 99 Ų | 99 | 93.1 Ų | 93.1 | 37% | 0.374 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 177.6 | -69.2 | -62.7 | -172.3 | 103.8 | 2.9 | 112.4 | V11 L13 M21 E25 L26 Q32 Y33 | V11-R29 HydrophobicContact CG1-CB 4.07Å; V11-R29 HydrophobicContact CG1-CG 4.41Å; L13-R29 HydrophobicContact CD1-CB 4.12Å; L13-R29 HydrophobicContact CD2-CB 4.21Å; L13-R29 HydrophobicContact CD2-CG 4.13Å; M21-R29 HydrophobicContact CE-CG 3.99Å; E25-R29 VanDerWaalsContact O-CG 3.28Å; E25-R29 WeakPolarHBondContact O-CG 3.47Å; E25-R29 PolarHBondContact O-N 3.3Å; L26-R29 PolarHBondContact O-N 3.21Å; R29-Q32 PolarHBondContact O-N 3.34Å; R29-Y33 PolarHBondContact O-N 3.32Å |
| 30 | W | 90 | Very high | 91 | Very high | 144 Ų | 144 | 88.3 Ų | 88.3 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 174.3 | 176.6 | 76.1 | 0 | 0 | 0 | 111.7 | L26 I27 Q32 Y33 E34 | L26-W30 WeakPolarHBondContact O-CB 3.31Å; L26-W30 PolarHBondContact O-N 2.86Å; I27-W30 PolarHBondContact O-N 3.37Å; W30-Q32 VanDerWaalsContact C-N 3.29Å; W30-Q32 PolarHBondContact O-N 2.88Å; W30-Y33 WeakPolarHBondContact O-CA 3.38Å; W30-Y33 WeakPolarHBondContact O-CB 3.43Å; W30-Y33 PolarHBondContact O-N 2.87Å; W30-E34 VanDerWaalsContact CH2-OE2 3.24Å; W30-E34 WeakPolarHBondContact CH2-OE2 3.26Å; W30-E34 WeakPolarHBondContact CZ3-OE2 3.3Å; W30-E34 PolarHBondContact O-N 3.31Å |
| 31 | K | 91.6 | Very high | 91.2 | Very high | 120 Ų | 120 | 88 Ų | 88 | 52% | 0.522 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 175.6 | -73.6 | -179.8 | 176.8 | -176.8 | 0 | 112.8 | I27 L28 Y33 E34 A35 | I27-K31 HydrophobicContact CG2-CD 4.35Å; I27-K31 WeakPolarHBondContact O-CG 3.34Å; I27-K31 PolarHBondContact O-N 2.97Å; L28-K31 PolarHBondContact O-N 2.85Å; K31-Y33 VanDerWaalsContact C-N 3.35Å; K31-E34 PolarHBondContact O-N 3.44Å; K31-A35 WeakPolarHBondContact O-CB 3.5Å; K31-A35 PolarHBondContact O-N 3.5Å |
| 32 | Q | 90.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 87.4 Ų | 87.4 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 174.4 | -74.4 | 173.4 | 0.5 | 0 | 0 | 112.3 | V11 L28 R29 W30 Y36 | V11-Q32 HydrophobicContact CG2-CB 3.56Å; L28-Q32 WeakPolarHBondContact O-CG 3.47Å; L28-Q32 PolarHBondContact O-N 3.35Å; L28-Q32 VanDerWaalsContact O-N 3.07Å; R29-Q32 PolarHBondContact O-N 3.34Å; W30-Q32 VanDerWaalsContact C-N 3.29Å; W30-Q32 PolarHBondContact O-N 2.88Å; Q32-Y36 PolarHBondContact O-N 3.44Å; Q32-Y36 VanDerWaalsContact O-N 3.09Å |
| 33 | Y | 90.3 | Very high | 91 | Very high | 102 Ų | 102 | 88.2 Ų | 88.2 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 174.7 | -174.4 | -94.6 | 0 | 0 | 0 | 111.8 | R29 W30 K31 Y36 V37 | R29-Y33 PolarHBondContact O-N 3.32Å; W30-Y33 WeakPolarHBondContact O-CA 3.38Å; W30-Y33 WeakPolarHBondContact O-CB 3.43Å; W30-Y33 PolarHBondContact O-N 2.87Å; K31-Y33 VanDerWaalsContact C-N 3.35Å; Y33-Y36 WeakPolarHBondContact O-CB 3.39Å; Y33-Y36 PolarHBondContact O-N 3.49Å; Y33-V37 HydrophobicContact CD1-CG2 3.96Å; Y33-V37 HydrophobicContact CE1-CG2 3.53Å; Y33-V37 WeakPolarHBondContact O-CG2 3.45Å; Y33-V37 PolarHBondContact O-N 3.11Å |
| 34 | E | 93 | Very high | 90.9 | Very high | 94 Ų | 94 | 86.8 Ų | 86.8 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 175.8 | -171.8 | 174.1 | -142.7 | 0 | 0 | 111.3 | W30 K31 Y36 V37 Q38 | W30-E34 VanDerWaalsContact CH2-OE2 3.24Å; W30-E34 WeakPolarHBondContact CH2-OE2 3.26Å; W30-E34 WeakPolarHBondContact CZ3-OE2 3.3Å; W30-E34 PolarHBondContact O-N 3.31Å; K31-E34 PolarHBondContact O-N 3.44Å; E34-Y36 VanDerWaalsContact C-N 3.3Å; E34-Y36 PolarHBondContact O-N 2.86Å; E34-V37 PolarHBondContact O-N 2.99Å; E34-Q38 WeakPolarHBondContact O-CB 3.39Å; E34-Q38 PolarHBondContact O-N 2.86Å |
| 35 | A | 92 | Very high | 90.7 | Very high | 42 Ų | 42 | 85 Ų | 85 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K31 A39 | K31-A35 WeakPolarHBondContact O-CB 3.5Å; K31-A35 PolarHBondContact O-N 3.5Å; A35-A39 WeakPolarHBondContact O-CB 3.41Å; A35-A39 PolarHBondContact O-N 3.11Å |
| 36 | Y | 92.9 | Very high | 90.5 | Very high | 47 Ų | 47 | 85 Ų | 85 | 18% | 0.184 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 174.5 | 173.5 | -112.2 | 0 | 0 | 0 | 112.5 | P8 K10 Q32 Y33 E34 A39 L40 | P8-Y36 WeakPolarHBondContact O-CD2 3.37Å; P8-Y36 WeakPolarHBondContact O-CE2 3.3Å; K10-Y36 HydrophobicContact CB-CD1 4.08Å; K10-Y36 HydrophobicContact CB-CE1 3.66Å; K10-Y36 HydrophobicContact CB-CE2 4.2Å; K10-Y36 HydrophobicContact CB-CG 4.49Å; K10-Y36 HydrophobicContact CD-CE1 3.88Å; K10-Y36 HydrophobicContact CG-CD1 4.1Å; K10-Y36 HydrophobicContact CG-CE1 3.67Å; Q32-Y36 PolarHBondContact O-N 3.44Å; Q32-Y36 VanDerWaalsContact O-N 3.09Å; Y33-Y36 WeakPolarHBondContact O-CB 3.39Å; Y33-Y36 PolarHBondContact O-N 3.49Å; E34-Y36 VanDerWaalsContact C-N 3.3Å; E34-Y36 PolarHBondContact O-N 2.86Å; Y36-A39 PolarHBondContact O-N 3.22Å; Y36-L40 HydrophobicContact CD1-CD1 4.12Å; Y36-L40 HydrophobicContact CD2-CG 4.4Å; Y36-L40 HydrophobicContact CE1-CD1 3.47Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.47Å; Y36-L40 HydrophobicContact CE1-CG 4.3Å; Y36-L40 HydrophobicContact CE2-CD1 4Å; Y36-L40 HydrophobicContact CE2-CD2 4.26Å; Y36-L40 HydrophobicContact CE2-CG 4.01Å; Y36-L40 VanDerWaalsContact CZ-CD1 3.43Å; Y36-L40 WeakPolarHBondContact O-CG 3.32Å; Y36-L40 PolarHBondContact O-N 3.31Å |
| 37 | V | 92.7 | Very high | 90.2 | Very high | 41 Ų | 41 | 86.4 Ų | 86.4 | 25% | 0.248 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | Y33 E34 A39 L40 E41 | Y33-V37 HydrophobicContact CD1-CG2 3.96Å; Y33-V37 HydrophobicContact CE1-CG2 3.53Å; Y33-V37 WeakPolarHBondContact O-CG2 3.45Å; Y33-V37 PolarHBondContact O-N 3.11Å; E34-V37 PolarHBondContact O-N 2.99Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 2.92Å; V37-L40 WeakPolarHBondContact O-CB 3.31Å; V37-L40 PolarHBondContact O-N 2.96Å; V37-L40 VanDerWaalsContact O-N 3.08Å; V37-E41 HydrophobicContact CG1-CG 4.24Å; V37-E41 WeakPolarHBondContact O-CG 3.3Å; V37-E41 PolarHBondContact O-N 3.41Å |
| 38 | Q | 93.8 | Very high | 89.7 | Confident | 139 Ų | 139 | 87.8 Ų | 87.8 | 65% | 0.65 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.1 | -41.1 | 178.5 | -170.8 | 177.9 | 17.2 | 0 | 0 | 112 | E34 E41 G42 | E34-Q38 WeakPolarHBondContact O-CB 3.39Å; E34-Q38 PolarHBondContact O-N 2.86Å; Q38-E41 PolarHBondContact O-N 2.98Å; Q38-G42 PolarHBondContact O-N 2.87Å |
| 39 | A | 91.8 | Very high | 89 | Confident | 28 Ų | 28 | 86.1 Ų | 86.1 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L7 P8 A35 Y36 V37 K43 | L7-A39 HydrophobicContact CD2-CB 3.95Å; P8-A39 HydrophobicContact CG-CB 4.1Å; A35-A39 WeakPolarHBondContact O-CB 3.41Å; A35-A39 PolarHBondContact O-N 3.11Å; Y36-A39 PolarHBondContact O-N 3.22Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 2.92Å; A39-K43 WeakPolarHBondContact O-CB 3.27Å; A39-K43 PolarHBondContact O-N 2.97Å |
| 40 | L | 90.9 | Very high | 88.4 | Confident | 73 Ų | 73 | 86.5 Ų | 86.5 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.7 | -43 | 175.2 | -75.1 | -179 | 0 | 0 | 0 | 112.4 | Y36 V37 K43 Y44 | Y36-L40 HydrophobicContact CD1-CD1 4.12Å; Y36-L40 HydrophobicContact CD2-CG 4.4Å; Y36-L40 HydrophobicContact CE1-CD1 3.47Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.47Å; Y36-L40 HydrophobicContact CE1-CG 4.3Å; Y36-L40 HydrophobicContact CE2-CD1 4Å; Y36-L40 HydrophobicContact CE2-CD2 4.26Å; Y36-L40 HydrophobicContact CE2-CG 4.01Å; Y36-L40 VanDerWaalsContact CZ-CD1 3.43Å; Y36-L40 WeakPolarHBondContact O-CG 3.32Å; Y36-L40 PolarHBondContact O-N 3.31Å; V37-L40 WeakPolarHBondContact O-CB 3.31Å; V37-L40 PolarHBondContact O-N 2.96Å; V37-L40 VanDerWaalsContact O-N 3.08Å; L40-K43 PolarHBondContact O-N 3.17Å; L40-Y44 WeakPolarHBondContact O-CB 3.32Å; L40-Y44 PolarHBondContact O-N 3.41Å |
| 41 | E | 91.8 | Very high | 87.9 | Confident | 120 Ų | 120 | 83.9 Ų | 83.9 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 177.9 | -72.4 | 175.7 | 164.1 | 0 | 0 | 110.9 | V37 Q38 K43 Y44 T45 | V37-E41 HydrophobicContact CG1-CG 4.24Å; V37-E41 WeakPolarHBondContact O-CG 3.3Å; V37-E41 PolarHBondContact O-N 3.41Å; Q38-E41 PolarHBondContact O-N 2.98Å; E41-K43 PolarHBondContact O-N 2.9Å; E41-Y44 PolarHBondContact O-N 2.96Å; E41-T45 PolarHBondContact O-N 3.43Å; E41-T45 PolarHBondContact O-OG1 3.44Å |
| 42 | G | 89.4 | Confident | 87.6 | Confident | 27 Ų | 27 | 81.9 Ų | 81.9 | 28% | 0.278 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q38 Y44 T45 D46 | Q38-G42 PolarHBondContact O-N 2.87Å; G42-Y44 VanDerWaalsContact C-N 3.31Å; G42-Y44 PolarHBondContact O-N 3.42Å; G42-T45 WeakPolarHBondContact CA-OG1 3.42Å; G42-T45 PolarHBondContact O-N 2.91Å; G42-T45 PolarHBondContact O-OG1 3Å; G42-D46 VanDerWaalsContact O-CG 3.25Å; G42-D46 PolarHBondContact O-N 3.49Å |
| 43 | K | 88.3 | Confident | 87.4 | Confident | 72 Ų | 72 | 81.1 Ų | 81.1 | 31% | 0.313 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 177.3 | -170 | 164.5 | -172.4 | 143.9 | 0 | 112.3 | E4 L7 A39 L40 E41 D46 L47 | E4-K43 IonicContact OE1-NZ 2.97Å; E4-K43 IonicContact OE2-NZ 2.8Å; E4-K43 PolarHBondContact OE2-NZ 2.93Å; L7-K43 HydrophobicContact CD1-CD 4.47Å; A39-K43 WeakPolarHBondContact O-CB 3.27Å; A39-K43 PolarHBondContact O-N 2.97Å; L40-K43 PolarHBondContact O-N 3.17Å; E41-K43 PolarHBondContact O-N 2.9Å; K43-D46 PolarHBondContact O-N 3.42Å; K43-L47 HydrophobicContact CG-CD1 3.97Å; K43-L47 WeakPolarHBondContact O-CB 3.45Å; K43-L47 WeakPolarHBondContact O-CD1 3.43Å; K43-L47 WeakPolarHBondContact O-CG 3.25Å; K43-L47 PolarHBondContact O-N 3.42Å |
| 44 | Y | 87 | Confident | 87.4 | Confident | 160 Ų | 160 | 77.9 Ų | 77.9 | 63% | 0.627 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.4 | -43.6 | 176.2 | 179.9 | -95 | 0 | 0 | 0 | 111.8 | L40 E41 G42 D46 N48 | L40-Y44 WeakPolarHBondContact O-CB 3.32Å; L40-Y44 PolarHBondContact O-N 3.41Å; E41-Y44 PolarHBondContact O-N 2.96Å; G42-Y44 VanDerWaalsContact C-N 3.31Å; G42-Y44 PolarHBondContact O-N 3.42Å; Y44-D46 VanDerWaalsContact C-N 3.35Å; Y44-N48 VanDerWaalsContact O-CB 3.27Å; Y44-N48 WeakPolarHBondContact O-CB 3.35Å; Y44-N48 PolarHBondContact O-N 2.97Å |
| 45 | T | 87.4 | Confident | 87.4 | Confident | 81 Ų | 81 | 78.9 Ų | 78.9 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.9 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | E41 G42 N48 S49 | E41-T45 PolarHBondContact O-N 3.43Å; E41-T45 PolarHBondContact O-OG1 3.44Å; G42-T45 WeakPolarHBondContact CA-OG1 3.42Å; G42-T45 PolarHBondContact O-N 2.91Å; G42-T45 PolarHBondContact O-OG1 3Å; T45-N48 PolarHBondContact O-N 3.23Å; T45-S49 WeakPolarHBondContact O-CB 3.41Å; T45-S49 PolarHBondContact O-N 3.02Å |
| 46 | D | 85.6 | Confident | 87.4 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 179.3 | -69.5 | -19.7 | 0 | 0 | 0 | 111.8 | G42 K43 Y44 N48 S49 N50 | G42-D46 VanDerWaalsContact O-CG 3.25Å; G42-D46 PolarHBondContact O-N 3.49Å; K43-D46 PolarHBondContact O-N 3.42Å; Y44-D46 VanDerWaalsContact C-N 3.35Å; D46-N48 VanDerWaalsContact C-N 3.33Å; D46-N48 PolarHBondContact O-N 3.29Å; D46-S49 PolarHBondContact O-N 3.42Å; D46-N50 PolarHBondContact O-N 2.85Å; D46-N50 VanDerWaalsContact O-N 3.1Å |
| 47 | L | 83.7 | Confident | 87.4 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 44% | 0.44 | 47% | 0.466 | S | S | . | . | I | π-helix | trans | -57.2 | -45.2 | 174.3 | -84.5 | 158.4 | 0 | 0 | 0 | 111.6 | K43 D51 V52 | K43-L47 HydrophobicContact CG-CD1 3.97Å; K43-L47 WeakPolarHBondContact O-CB 3.45Å; K43-L47 WeakPolarHBondContact O-CD1 3.43Å; K43-L47 WeakPolarHBondContact O-CG 3.25Å; K43-L47 PolarHBondContact O-N 3.42Å; L47-D51 PolarHBondContact O-N 3.16Å; L47-V52 PolarHBondContact O-N 3.46Å |
| 48 | N | 80.8 | Confident | 87.6 | Confident | 86 Ų | 86 | 89 Ų | 89 | 46% | 0.46 | 47% | 0.472 | S | S | . | . | I | π-helix | trans | -73.3 | -35.5 | -176.4 | -166.9 | 62.3 | 0 | 0 | 0 | 112.7 | Y44 T45 D46 T53 | Y44-N48 VanDerWaalsContact O-CB 3.27Å; Y44-N48 WeakPolarHBondContact O-CB 3.35Å; Y44-N48 PolarHBondContact O-N 2.97Å; T45-N48 PolarHBondContact O-N 3.23Å; D46-N48 VanDerWaalsContact C-N 3.33Å; D46-N48 PolarHBondContact O-N 3.29Å; N48-T53 PolarHBondContact O-OG1 3.03Å |
| 49 | S | 76.9 | Confident | 87.7 | Confident | 66 Ų | 66 | 88.7 Ų | 88.7 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | I | π-helix | trans | -69.2 | -56.6 | 179.7 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | T45 D46 T53 | T45-S49 WeakPolarHBondContact O-CB 3.41Å; T45-S49 PolarHBondContact O-N 3.02Å; D46-S49 PolarHBondContact O-N 3.42Å; S49-T53 VanDerWaalsContact O-CB 3.27Å; S49-T53 WeakPolarHBondContact O-CB 3.23Å; S49-T53 PolarHBondContact O-OG1 2.94Å |
| 50 | N | 75.6 | Confident | 88 | Confident | 106 Ų | 106 | 92.5 Ų | 92.5 | 57% | 0.567 | 48% | 0.483 | S | S | * | . | I | π-helix | trans | -98.4 | -46.1 | -163 | -67.9 | -39.2 | 0 | 0 | 0 | 112.6 | D46 G54 | D46-N50 PolarHBondContact O-N 2.85Å; D46-N50 VanDerWaalsContact O-N 3.1Å; N50-G54 PolarHBondContact O-N 3.41Å; N50-G54 VanDerWaalsContact O-N 3.14Å |
| 51 | D | 79.7 | Confident | 88.3 | Confident | 89 Ų | 89 | 96.3 Ų | 96.3 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | I | π-helix | trans | -77.6 | -49 | -172.8 | -65.6 | -25 | 0 | 0 | 0 | 110.7 | L47 L55 | L47-D51 PolarHBondContact O-N 3.16Å; D51-L55 WeakPolarHBondContact O-CB 3.39Å; D51-L55 WeakPolarHBondContact O-CD1 3.44Å; D51-L55 WeakPolarHBondContact O-CG 3.1Å; D51-L55 PolarHBondContact O-N 3.31Å |
| 52 | V | 84.8 | Confident | 88.6 | Confident | 79 Ų | 79 | 95.8 Ų | 95.8 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | I | π-helix | trans | -68.4 | -45.3 | -176.4 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | L47 R56 | L47-V52 PolarHBondContact O-N 3.46Å; V52-R56 WeakPolarHBondContact O-CB 3.29Å; V52-R56 PolarHBondContact O-N 3.04Å; V52-R56 VanDerWaalsContact O-N 3.08Å |
| 53 | T | 86.8 | Confident | 89 | Confident | 68 Ų | 68 | 101.4 Ų | 101.4 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.2 | -48 | -179.9 | -46.7 | 0 | 0 | 0 | 0 | 111.2 | N48 S49 L55 R56 E57 | N48-T53 PolarHBondContact O-OG1 3.03Å; S49-T53 VanDerWaalsContact O-CB 3.27Å; S49-T53 WeakPolarHBondContact O-CB 3.23Å; S49-T53 PolarHBondContact O-OG1 2.94Å; T53-L55 PolarHBondContact O-N 3.21Å; T53-R56 PolarHBondContact O-N 3.2Å; T53-E57 WeakPolarHBondContact O-CG 3.34Å; T53-E57 PolarHBondContact O-N 3.03Å |
| 54 | G | 90.4 | Very high | 89.5 | Confident | 34 Ų | 34 | 104.1 Ų | 104.1 | 35% | 0.351 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N50 E57 S58 | N50-G54 PolarHBondContact O-N 3.41Å; N50-G54 VanDerWaalsContact O-N 3.14Å; G54-E57 PolarHBondContact O-N 2.81Å; G54-S58 WeakPolarHBondContact O-CB 3.46Å; G54-S58 PolarHBondContact O-N 3.49Å; G54-S58 PolarHBondContact O-OG 3.23Å |
| 55 | L | 92.5 | Very high | 90 | Very high | 114 Ų | 114 | 102.7 Ų | 102.7 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 174.8 | -75 | 170.8 | 0 | 0 | 0 | 111.5 | D51 T53 S58 E59 | D51-L55 WeakPolarHBondContact O-CB 3.39Å; D51-L55 WeakPolarHBondContact O-CD1 3.44Å; D51-L55 WeakPolarHBondContact O-CG 3.1Å; D51-L55 PolarHBondContact O-N 3.31Å; T53-L55 PolarHBondContact O-N 3.21Å; L55-S58 WeakPolarHBondContact CA-OG 3.46Å; L55-S58 PolarHBondContact O-N 3.15Å; L55-S58 PolarHBondContact O-OG 2.94Å; L55-E59 WeakPolarHBondContact O-CB 3.49Å; L55-E59 PolarHBondContact O-N 2.87Å |
| 56 | R | 92.4 | Very high | 90.5 | Very high | 161 Ų | 161 | 105.6 Ų | 105.6 | 61% | 0.608 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 177.5 | -178.6 | 177.2 | -75.7 | -158.8 | -2.7 | 112.1 | V52 T53 S58 E59 E60 | V52-R56 WeakPolarHBondContact O-CB 3.29Å; V52-R56 PolarHBondContact O-N 3.04Å; V52-R56 VanDerWaalsContact O-N 3.08Å; T53-R56 PolarHBondContact O-N 3.2Å; R56-S58 VanDerWaalsContact C-N 3.31Å; R56-S58 PolarHBondContact O-N 3.35Å; R56-E59 PolarHBondContact O-N 3.18Å; R56-E60 PolarHBondContact O-N 3.22Å |
| 57 | E | 93.9 | Very high | 91.1 | Very high | 128 Ų | 128 | 107.7 Ų | 107.7 | 60% | 0.598 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.2 | -40.5 | 176.8 | -70.9 | 178.6 | -177.2 | 0 | 0 | 111.7 | T53 G54 E60 K61 | T53-E57 WeakPolarHBondContact O-CG 3.34Å; T53-E57 PolarHBondContact O-N 3.03Å; G54-E57 PolarHBondContact O-N 2.81Å; E57-E60 PolarHBondContact O-N 2.94Å; E57-K61 WeakPolarHBondContact O-CB 3.34Å; E57-K61 PolarHBondContact O-N 3.08Å |
| 58 | S | 95.3 | Very high | 91.8 | Very high | 55 Ų | 55 | 107.6 Ų | 107.6 | 39% | 0.385 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 176.9 | 79.3 | 0 | 0 | 0 | 0 | 112.4 | G54 L55 R56 K61 L62 | G54-S58 WeakPolarHBondContact O-CB 3.46Å; G54-S58 PolarHBondContact O-N 3.49Å; G54-S58 PolarHBondContact O-OG 3.23Å; L55-S58 WeakPolarHBondContact CA-OG 3.46Å; L55-S58 PolarHBondContact O-N 3.15Å; L55-S58 PolarHBondContact O-OG 2.94Å; R56-S58 VanDerWaalsContact C-N 3.31Å; R56-S58 PolarHBondContact O-N 3.35Å; S58-K61 PolarHBondContact O-N 2.91Å; S58-L62 WeakPolarHBondContact O-CB 3.18Å; S58-L62 WeakPolarHBondContact O-CG 2.83Å; S58-L62 PolarHBondContact O-N 2.98Å |
| 59 | E | 96.6 | Very high | 92.7 | Very high | 132 Ų | 132 | 106.9 Ų | 106.9 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.7 | -47.4 | 176.3 | -176.4 | -172.5 | -169.2 | 0 | 0 | 110.6 | L55 R56 K61 L62 K63 | L55-E59 WeakPolarHBondContact O-CB 3.49Å; L55-E59 PolarHBondContact O-N 2.87Å; R56-E59 PolarHBondContact O-N 3.18Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 3.29Å; E59-L62 PolarHBondContact O-N 3.48Å; E59-K63 WeakPolarHBondContact O-CB 3.44Å; E59-K63 PolarHBondContact O-N 3.43Å |
| 60 | E | 97.4 | Very high | 93.7 | Very high | 108 Ų | 108 | 105.7 Ų | 105.7 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 177.3 | -76.7 | 179.8 | -173.6 | 0 | 0 | 111.8 | R56 E57 K63 Q64 | R56-E60 PolarHBondContact O-N 3.22Å; E57-E60 PolarHBondContact O-N 2.94Å; E60-K63 PolarHBondContact O-N 2.8Å; E60-Q64 WeakPolarHBondContact O-CG 3.4Å; E60-Q64 PolarHBondContact O-N 3.03Å |
| 61 | K | 97.9 | Very high | 94.8 | Very high | 152 Ų | 152 | 108.7 Ų | 108.7 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 176.9 | -172 | 176.6 | -179.3 | 179.4 | 0 | 112.1 | E57 S58 E59 K63 Q64 Q65 | E57-K61 WeakPolarHBondContact O-CB 3.34Å; E57-K61 PolarHBondContact O-N 3.08Å; S58-K61 PolarHBondContact O-N 2.91Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 3.29Å; K61-K63 VanDerWaalsContact C-N 3.33Å; K61-Q64 PolarHBondContact O-N 3.24Å; K61-Q65 WeakPolarHBondContact O-CB 3.41Å; K61-Q65 PolarHBondContact O-N 3.16Å |
| 62 | L | 98.1 | Very high | 95.7 | Very high | 110 Ų | 110 | 111.7 Ų | 111.7 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 176 | -79.7 | 169.7 | 0 | 0 | 0 | 111.4 | S58 E59 Q65 Q66 | S58-L62 WeakPolarHBondContact O-CB 3.18Å; S58-L62 WeakPolarHBondContact O-CG 2.83Å; S58-L62 PolarHBondContact O-N 2.98Å; E59-L62 PolarHBondContact O-N 3.48Å; L62-Q65 PolarHBondContact O-N 2.91Å; L62-Q66 WeakPolarHBondContact O-CB 3.47Å; L62-Q66 PolarHBondContact O-N 3.47Å |
| 63 | K | 98.3 | Very high | 96.3 | Very high | 145 Ų | 145 | 113.7 Ų | 113.7 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 177.2 | -171.2 | 177 | -179.2 | 178.5 | 0 | 112.1 | E59 E60 K61 Q66 Q67 | E59-K63 WeakPolarHBondContact O-CB 3.44Å; E59-K63 PolarHBondContact O-N 3.43Å; E60-K63 PolarHBondContact O-N 2.8Å; K61-K63 VanDerWaalsContact C-N 3.33Å; K63-Q66 PolarHBondContact O-N 3.26Å; K63-Q67 WeakPolarHBondContact O-CB 3.45Å; K63-Q67 PolarHBondContact O-N 3.08Å |
| 64 | Q | 98.3 | Very high | 96.9 | Very high | 128 Ų | 128 | 115.6 Ų | 115.6 | 60% | 0.598 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.3 | -44.5 | 174.3 | -72.8 | 177.3 | 13.4 | 0 | 0 | 111.7 | E60 K61 Q66 Q67 E68 | E60-Q64 WeakPolarHBondContact O-CG 3.4Å; E60-Q64 PolarHBondContact O-N 3.03Å; K61-Q64 PolarHBondContact O-N 3.24Å; Q64-Q66 VanDerWaalsContact C-N 3.33Å; Q64-Q66 PolarHBondContact O-N 2.97Å; Q64-Q67 PolarHBondContact O-N 3.37Å; Q64-E68 WeakPolarHBondContact O-CB 3.44Å; Q64-E68 PolarHBondContact O-N 3.02Å |
| 65 | Q | 98.3 | Very high | 97.3 | Very high | 131 Ų | 131 | 117 Ų | 117 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.3 | -41.2 | 177.5 | -174.3 | 176.2 | 5.4 | 0 | 0 | 111.9 | K61 L62 E68 S69 | K61-Q65 WeakPolarHBondContact O-CB 3.41Å; K61-Q65 PolarHBondContact O-N 3.16Å; L62-Q65 PolarHBondContact O-N 2.91Å; Q65-E68 PolarHBondContact O-N 3.35Å; Q65-S69 WeakPolarHBondContact O-CB 3.39Å; Q65-S69 PolarHBondContact O-N 3.42Å |
| 66 | Q | 98.3 | Very high | 97.6 | Very high | 142 Ų | 142 | 116.7 Ų | 116.7 | 66% | 0.664 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.7 | -45.5 | 176.1 | -173.4 | -177.8 | 28.3 | 0 | 0 | 111.3 | L62 K63 Q64 S69 A70 | L62-Q66 WeakPolarHBondContact O-CB 3.47Å; L62-Q66 PolarHBondContact O-N 3.47Å; K63-Q66 PolarHBondContact O-N 3.26Å; Q64-Q66 VanDerWaalsContact C-N 3.33Å; Q64-Q66 PolarHBondContact O-N 2.97Å; Q66-S69 PolarHBondContact O-N 2.88Å; Q66-A70 WeakPolarHBondContact O-CB 3.31Å; Q66-A70 PolarHBondContact O-N 2.82Å |
| 67 | Q | 98.4 | Very high | 97.9 | Very high | 144 Ų | 144 | 113.1 Ų | 113.1 | 67% | 0.673 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 179.1 | -174 | 176.5 | 14 | 0 | 0 | 111.9 | K63 Q64 A70 R71 | K63-Q67 WeakPolarHBondContact O-CB 3.45Å; K63-Q67 PolarHBondContact O-N 3.08Å; Q64-Q67 PolarHBondContact O-N 3.37Å; Q67-A70 PolarHBondContact O-N 2.85Å; Q67-R71 WeakPolarHBondContact O-CB 3.15Å; Q67-R71 PolarHBondContact O-N 2.92Å |
| 68 | E | 98.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 112.8 Ų | 112.8 | 38% | 0.379 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.4 | 177.1 | 58.6 | -162.6 | 0 | 0 | 111.5 | Q64 Q65 R71 R72 | Q64-E68 WeakPolarHBondContact O-CB 3.44Å; Q64-E68 PolarHBondContact O-N 3.02Å; Q65-E68 PolarHBondContact O-N 3.35Å; E68-R71 PolarHBondContact O-N 3.33Å; E68-R72 WeakPolarHBondContact O-CG 3.36Å; E68-R72 PolarHBondContact O-N 3.27Å; E68-R72 IonicContact OE1-CZ 2.68Å; E68-R72 VanDerWaalsContact OE1-CZ 3.31Å; E68-R72 IonicContact OE1-NE 3.67Å; E68-R72 PolarHBondContact OE1-NE 3.47Å; E68-R72 IonicContact OE1-NH2 3.31Å; E68-R72 PolarHBondContact OE1-NH2 3.22Å |
| 69 | S | 98.3 | Very high | 98.3 | Very high | 71 Ų | 71 | 117.7 Ų | 117.7 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61 | -47.6 | 174.8 | -168.7 | 0 | 0 | 0 | 0 | 111.6 | Q65 Q66 R71 R72 E73 | Q65-S69 WeakPolarHBondContact O-CB 3.39Å; Q65-S69 PolarHBondContact O-N 3.42Å; Q66-S69 PolarHBondContact O-N 2.88Å; S69-R71 VanDerWaalsContact C-N 3.3Å; S69-R71 PolarHBondContact O-N 3.3Å; S69-R72 PolarHBondContact O-N 3.42Å; S69-E73 PolarHBondContact O-N 3.38Å |
| 70 | A | 98.5 | Very high | 98.4 | Very high | 41 Ų | 41 | 116.3 Ų | 116.3 | 34% | 0.339 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.1 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q66 Q67 E73 N74 | Q66-A70 WeakPolarHBondContact O-CB 3.31Å; Q66-A70 PolarHBondContact O-N 2.82Å; Q67-A70 PolarHBondContact O-N 2.85Å; A70-E73 PolarHBondContact O-N 2.85Å; A70-N74 PolarHBondContact O-N 2.95Å; A70-N74 PolarHBondContact O-ND2 3.25Å; A70-N74 VanDerWaalsContact O-ND2 3.16Å |
| 71 | R | 98.6 | Very high | 98.4 | Very high | 170 Ų | 170 | 113.6 Ų | 113.6 | 64% | 0.642 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 174.2 | -174.3 | -175.5 | 173 | 94.7 | 1.5 | 111.6 | Q67 E68 S69 N74 I75 | Q67-R71 WeakPolarHBondContact O-CB 3.15Å; Q67-R71 PolarHBondContact O-N 2.92Å; E68-R71 PolarHBondContact O-N 3.33Å; S69-R71 VanDerWaalsContact C-N 3.3Å; S69-R71 PolarHBondContact O-N 3.3Å; R71-N74 PolarHBondContact O-N 3.35Å; R71-I75 HydrophobicContact CG-CD1 4.5Å; R71-I75 WeakPolarHBondContact O-CG1 3.49Å; R71-I75 PolarHBondContact O-N 2.92Å |
| 72 | R | 98.6 | Very high | 98.4 | Very high | 151 Ų | 151 | 109.5 Ų | 109.5 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 177 | -71.6 | 175 | -168.7 | 177 | 4.9 | 111.7 | E68 S69 N74 I75 L76 | E68-R72 WeakPolarHBondContact O-CG 3.36Å; E68-R72 PolarHBondContact O-N 3.27Å; E68-R72 IonicContact OE1-CZ 2.68Å; E68-R72 VanDerWaalsContact OE1-CZ 3.31Å; E68-R72 IonicContact OE1-NE 3.67Å; E68-R72 PolarHBondContact OE1-NE 3.47Å; E68-R72 IonicContact OE1-NH2 3.31Å; E68-R72 PolarHBondContact OE1-NH2 3.22Å; S69-R72 PolarHBondContact O-N 3.42Å; R72-N74 PolarHBondContact O-N 3.49Å; R72-I75 PolarHBondContact O-N 3.09Å; R72-L76 WeakPolarHBondContact O-CG 3.49Å; R72-L76 PolarHBondContact O-N 2.91Å |
| 73 | E | 98.4 | Very high | 98.5 | Very high | 121 Ų | 121 | 110.2 Ų | 110.2 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.1 | -48 | 177 | -174.5 | 178.4 | 179.2 | 0 | 0 | 111.4 | S69 A70 I75 L76 V77 | S69-E73 PolarHBondContact O-N 3.38Å; A70-E73 PolarHBondContact O-N 2.85Å; E73-I75 VanDerWaalsContact C-N 3.28Å; E73-I75 PolarHBondContact O-N 3.25Å; E73-L76 WeakPolarHBondContact O-CA 3.47Å; E73-L76 WeakPolarHBondContact O-CB 3.45Å; E73-L76 PolarHBondContact O-N 3.46Å; E73-V77 WeakPolarHBondContact O-CG2 3.35Å; E73-V77 PolarHBondContact O-N 3Å |
| 74 | N | 98.5 | Very high | 98.5 | Very high | 109 Ų | 109 | 108 Ų | 108 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.6 | -38.8 | 177.2 | -75.4 | -34.8 | 0 | 0 | 0 | 112.9 | A70 R71 R72 V77 M78 | A70-N74 PolarHBondContact O-N 2.95Å; A70-N74 PolarHBondContact O-ND2 3.25Å; A70-N74 VanDerWaalsContact O-ND2 3.16Å; R71-N74 PolarHBondContact O-N 3.35Å; R72-N74 PolarHBondContact O-N 3.49Å; N74-V77 PolarHBondContact O-N 2.92Å; N74-M78 PolarHBondContact O-N 2.86Å |
| 75 | I | 98.6 | Very high | 98.5 | Very high | 62 Ų | 62 | 107.1 Ų | 107.1 | 32% | 0.318 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.5 | -67.6 | 167.6 | 0 | 0 | 0 | 110.7 | R71 R72 E73 M78 R79 | R71-I75 HydrophobicContact CG-CD1 4.5Å; R71-I75 WeakPolarHBondContact O-CG1 3.49Å; R71-I75 PolarHBondContact O-N 2.92Å; R72-I75 PolarHBondContact O-N 3.09Å; E73-I75 VanDerWaalsContact C-N 3.28Å; E73-I75 PolarHBondContact O-N 3.25Å; I75-M78 PolarHBondContact O-N 3.47Å; I75-R79 HydrophobicContact CG2-CG 4.49Å; I75-R79 WeakPolarHBondContact O-CG 3.32Å; I75-R79 PolarHBondContact O-N 2.95Å |
| 76 | L | 98.6 | Very high | 98.5 | Very high | 109 Ų | 109 | 105.1 Ų | 105.1 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 177.7 | -69.4 | 174.5 | 0 | 0 | 0 | 111.4 | R72 E73 R79 L80 | R72-L76 WeakPolarHBondContact O-CG 3.49Å; R72-L76 PolarHBondContact O-N 2.91Å; E73-L76 WeakPolarHBondContact O-CA 3.47Å; E73-L76 WeakPolarHBondContact O-CB 3.45Å; E73-L76 PolarHBondContact O-N 3.46Å; L76-R79 PolarHBondContact O-N 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.38Å; L76-L80 PolarHBondContact O-N 2.92Å |
| 77 | V | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 104.1 Ų | 104.1 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 175.4 | 171 | 0 | 0 | 0 | 0 | 111 | E73 N74 R79 L80 A81 | E73-V77 WeakPolarHBondContact O-CG2 3.35Å; E73-V77 PolarHBondContact O-N 3Å; N74-V77 PolarHBondContact O-N 2.92Å; V77-R79 PolarHBondContact O-N 3.34Å; V77-L80 PolarHBondContact O-N 3.03Å; V77-A81 PolarHBondContact O-N 2.88Å |
| 78 | M | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 103.5 Ų | 103.5 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.3 | -45.2 | 177.5 | -175.6 | -179 | 67.9 | 0 | 0 | 111.8 | N74 I75 L80 A81 T82 | N74-M78 PolarHBondContact O-N 2.86Å; I75-M78 PolarHBondContact O-N 3.47Å; M78-L80 VanDerWaalsContact C-N 3.34Å; M78-L80 PolarHBondContact O-N 3.46Å; M78-A81 PolarHBondContact O-N 3.37Å; M78-T82 PolarHBondContact O-N 2.84Å; M78-T82 PolarHBondContact O-OG1 3.46Å; M78-T82 VanDerWaalsContact O-OG1 3.09Å |
| 79 | R | 98.6 | Very high | 98.5 | Very high | 159 Ų | 159 | 104.1 Ų | 104.1 | 60% | 0.6 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 177.2 | -73.9 | 175.1 | 179.3 | -176.9 | 0.7 | 112.2 | I75 L76 V77 T82 K83 | I75-R79 HydrophobicContact CG2-CG 4.49Å; I75-R79 WeakPolarHBondContact O-CG 3.32Å; I75-R79 PolarHBondContact O-N 2.95Å; L76-R79 PolarHBondContact O-N 3.31Å; V77-R79 PolarHBondContact O-N 3.34Å; R79-T82 PolarHBondContact O-N 3.04Å; R79-K83 WeakPolarHBondContact O-CG 3.43Å; R79-K83 PolarHBondContact O-N 2.94Å |
| 80 | L | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 176.9 | -176.8 | 66.1 | 0 | 0 | 0 | 110.3 | L76 V77 M78 T82 K83 E84 | L76-L80 WeakPolarHBondContact O-CB 3.38Å; L76-L80 PolarHBondContact O-N 2.92Å; V77-L80 PolarHBondContact O-N 3.03Å; M78-L80 VanDerWaalsContact C-N 3.34Å; M78-L80 PolarHBondContact O-N 3.46Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.95Å; L80-K83 PolarHBondContact O-N 2.97Å; L80-E84 WeakPolarHBondContact O-CG 3.4Å; L80-E84 PolarHBondContact O-N 3.39Å |
| 81 | A | 98.5 | Very high | 98.5 | Very high | 51 Ų | 51 | 105 Ų | 105 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V77 M78 E84 Q85 | V77-A81 PolarHBondContact O-N 2.88Å; M78-A81 PolarHBondContact O-N 3.37Å; A81-E84 PolarHBondContact O-N 2.92Å; A81-Q85 WeakPolarHBondContact O-CB 3.43Å; A81-Q85 PolarHBondContact O-N 3.35Å |
| 82 | T | 98.5 | Very high | 98.4 | Very high | 65 Ų | 65 | 101 Ų | 101 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 173.7 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | M78 R79 L80 Q85 E86 | M78-T82 PolarHBondContact O-N 2.84Å; M78-T82 PolarHBondContact O-OG1 3.46Å; M78-T82 VanDerWaalsContact O-OG1 3.09Å; R79-T82 PolarHBondContact O-N 3.04Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.95Å; T82-Q85 PolarHBondContact O-N 3.31Å; T82-E86 WeakPolarHBondContact O-CG 3.45Å; T82-E86 PolarHBondContact O-N 3.44Å |
| 83 | K | 98.6 | Very high | 98.3 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 178.2 | -73 | -73.1 | 160.8 | -150.9 | 0 | 112.5 | R79 L80 E86 M87 | R79-K83 WeakPolarHBondContact O-CG 3.43Å; R79-K83 PolarHBondContact O-N 2.94Å; L80-K83 PolarHBondContact O-N 2.97Å; K83-E86 WeakPolarHBondContact CD-OE2 3.45Å; K83-E86 IonicContact NZ-OE1 3.55Å; K83-E86 IonicContact NZ-OE2 2.9Å; K83-E86 PolarHBondContact NZ-OE2 2.83Å; K83-E86 PolarHBondContact O-N 2.88Å; K83-M87 WeakPolarHBondContact O-CB 3.44Å; K83-M87 PolarHBondContact O-N 3.31Å |
| 84 | E | 98.4 | Very high | 98.2 | Very high | 98 Ų | 98 | 98 Ų | 98 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.5 | -73.5 | 178.1 | 157.2 | 0 | 0 | 111.4 | L80 A81 M87 Q88 | L80-E84 WeakPolarHBondContact O-CG 3.4Å; L80-E84 PolarHBondContact O-N 3.39Å; A81-E84 PolarHBondContact O-N 2.92Å; E84-M87 PolarHBondContact O-N 3.4Å; E84-Q88 WeakPolarHBondContact O-CG 3.33Å; E84-Q88 PolarHBondContact O-N 3.03Å |
| 85 | Q | 98.6 | Very high | 98.1 | Very high | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -49.6 | 174.4 | -175.9 | -177.3 | -16.1 | 0 | 0 | 111.6 | A81 T82 M87 Q88 E89 | A81-Q85 WeakPolarHBondContact O-CB 3.43Å; A81-Q85 PolarHBondContact O-N 3.35Å; T82-Q85 PolarHBondContact O-N 3.31Å; Q85-M87 PolarHBondContact O-N 2.98Å; Q85-Q88 PolarHBondContact O-N 3.09Å; Q85-Q88 VanDerWaalsContact O-N 3.09Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.49Å; Q85-E89 PolarHBondContact NE2-OE1 3.25Å; Q85-E89 WeakPolarHBondContact O-CG 3.49Å; Q85-E89 PolarHBondContact O-N 3.43Å |
| 86 | E | 98.3 | Very high | 97.9 | Very high | 90 Ų | 90 | 102.3 Ų | 102.3 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.1 | -38.8 | 177 | -73.3 | 173.3 | -175.6 | 0 | 0 | 111.7 | T82 K83 E89 C90 | T82-E86 WeakPolarHBondContact O-CG 3.45Å; T82-E86 PolarHBondContact O-N 3.44Å; K83-E86 WeakPolarHBondContact CD-OE2 3.45Å; K83-E86 IonicContact NZ-OE1 3.55Å; K83-E86 IonicContact NZ-OE2 2.9Å; K83-E86 PolarHBondContact NZ-OE2 2.83Å; K83-E86 PolarHBondContact O-N 2.88Å; E86-E89 PolarHBondContact O-N 2.68Å; E86-C90 WeakPolarHBondContact O-CB 3.42Å; E86-C90 PolarHBondContact O-N 3.16Å |
| 87 | M | 98.3 | Very high | 97.6 | Very high | 121 Ų | 121 | 102.1 Ų | 102.1 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.2 | -40.3 | 177.2 | -174.1 | 179.8 | 65.2 | 0 | 0 | 112.5 | K83 E84 Q85 C90 T91 | K83-M87 WeakPolarHBondContact O-CB 3.44Å; K83-M87 PolarHBondContact O-N 3.31Å; E84-M87 PolarHBondContact O-N 3.4Å; Q85-M87 PolarHBondContact O-N 2.98Å; M87-C90 PolarHBondContact O-N 3.04Å; M87-T91 WeakPolarHBondContact O-CB 3.48Å; M87-T91 PolarHBondContact O-N 3.47Å; M87-T91 PolarHBondContact O-OG1 3.43Å |
| 88 | Q | 98.6 | Very high | 97.1 | Very high | 130 Ų | 130 | 104.7 Ų | 104.7 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.4 | -41.5 | 174.1 | -71.7 | 177.1 | 7.7 | 0 | 0 | 111.6 | E84 Q85 T91 T92 | E84-Q88 WeakPolarHBondContact O-CG 3.33Å; E84-Q88 PolarHBondContact O-N 3.03Å; Q85-Q88 PolarHBondContact O-N 3.09Å; Q85-Q88 VanDerWaalsContact O-N 3.09Å; Q88-T91 PolarHBondContact O-N 3.48Å; Q88-T92 WeakPolarHBondContact O-CB 3.44Å; Q88-T92 PolarHBondContact O-N 2.99Å; Q88-T92 PolarHBondContact O-OG1 3Å |
| 89 | E | 98.2 | Very high | 96.5 | Very high | 95 Ų | 95 | 106.1 Ų | 106.1 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.7 | -71.5 | 174.3 | -169.8 | 0 | 0 | 111.5 | Q85 E86 T91 T92 Q93 | Q85-E89 WeakPolarHBondContact CG-OE1 3.49Å; Q85-E89 PolarHBondContact NE2-OE1 3.25Å; Q85-E89 WeakPolarHBondContact O-CG 3.49Å; Q85-E89 PolarHBondContact O-N 3.43Å; E86-E89 PolarHBondContact O-N 2.68Å; E89-T91 PolarHBondContact O-N 3.01Å; E89-T92 WeakPolarHBondContact O-CB 3.5Å; E89-T92 PolarHBondContact O-N 2.91Å; E89-Q93 WeakPolarHBondContact O-CG 3.38Å; E89-Q93 PolarHBondContact O-N 3.28Å |
| 90 | C | 98.1 | Very high | 95.8 | Very high | 65 Ų | 65 | 103 Ų | 103 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | E86 M87 T92 Q93 I94 | E86-C90 WeakPolarHBondContact O-CB 3.42Å; E86-C90 PolarHBondContact O-N 3.16Å; M87-C90 PolarHBondContact O-N 3.04Å; C90-T92 VanDerWaalsContact C-N 3.29Å; C90-T92 PolarHBondContact O-N 3.18Å; C90-Q93 PolarHBondContact O-N 3.22Å; C90-I94 VanDerWaalsContact O-CG1 3.32Å; C90-I94 WeakPolarHBondContact O-CG1 3.36Å; C90-I94 PolarHBondContact O-N 3.29Å |
| 91 | T | 97.7 | Very high | 94.8 | Very high | 65 Ų | 65 | 105.9 Ų | 105.9 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 176.6 | -59 | 0 | 0 | 0 | 0 | 111.2 | M87 Q88 E89 I94 Q95 | M87-T91 WeakPolarHBondContact O-CB 3.48Å; M87-T91 PolarHBondContact O-N 3.47Å; M87-T91 PolarHBondContact O-OG1 3.43Å; Q88-T91 PolarHBondContact O-N 3.48Å; E89-T91 PolarHBondContact O-N 3.01Å; T91-I94 PolarHBondContact O-N 3.46Å; T91-Q95 WeakPolarHBondContact O-CG 3.42Å; T91-Q95 PolarHBondContact O-N 3.49Å |
| 92 | T | 97.5 | Very high | 93.7 | Very high | 87 Ų | 87 | 110.6 Ų | 110.6 | 53% | 0.534 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 177.5 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | Q88 E89 C90 I94 Q95 Y96 | Q88-T92 WeakPolarHBondContact O-CB 3.44Å; Q88-T92 PolarHBondContact O-N 2.99Å; Q88-T92 PolarHBondContact O-OG1 3Å; E89-T92 WeakPolarHBondContact O-CB 3.5Å; E89-T92 PolarHBondContact O-N 2.91Å; C90-T92 VanDerWaalsContact C-N 3.29Å; C90-T92 PolarHBondContact O-N 3.18Å; T92-I94 PolarHBondContact O-N 3.4Å; T92-Q95 PolarHBondContact O-N 3.03Å; T92-Y96 WeakPolarHBondContact O-CB 3.45Å; T92-Y96 PolarHBondContact O-N 2.97Å |
| 93 | Q | 97.3 | Very high | 92.4 | Very high | 127 Ų | 127 | 110.1 Ų | 110.1 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 175.4 | -73 | 179.3 | 18.3 | 0 | 0 | 112.2 | E89 C90 Q95 Y96 L97 | E89-Q93 WeakPolarHBondContact O-CG 3.38Å; E89-Q93 PolarHBondContact O-N 3.28Å; C90-Q93 PolarHBondContact O-N 3.22Å; Q93-Q95 VanDerWaalsContact C-N 3.35Å; Q93-Q95 PolarHBondContact O-N 3.42Å; Q93-Y96 PolarHBondContact O-N 3.49Å; Q93-L97 WeakPolarHBondContact O-CB 3.44Å; Q93-L97 WeakPolarHBondContact O-CG 3.4Å; Q93-L97 PolarHBondContact O-N 3.21Å |
| 94 | I | 96 | Very high | 91.5 | Very high | 80 Ų | 80 | 106.9 Ų | 106.9 | 41% | 0.41 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.1 | -70.3 | 166.9 | 0 | 0 | 0 | 110.6 | C90 T91 T92 L97 K98 | C90-I94 VanDerWaalsContact O-CG1 3.32Å; C90-I94 WeakPolarHBondContact O-CG1 3.36Å; C90-I94 PolarHBondContact O-N 3.29Å; T91-I94 PolarHBondContact O-N 3.46Å; T92-I94 PolarHBondContact O-N 3.4Å; I94-L97 PolarHBondContact O-N 2.87Å; I94-K98 HydrophobicContact CG2-CD 4.11Å; I94-K98 HydrophobicContact CG2-CG 4.43Å; I94-K98 WeakPolarHBondContact O-CB 3.41Å; I94-K98 VanDerWaalsContact O-CG 3.31Å; I94-K98 WeakPolarHBondContact O-CG 3.33Å; I94-K98 PolarHBondContact O-N 2.9Å |
| 95 | Q | 94.9 | Very high | 90.4 | Very high | 111 Ų | 111 | 106.7 Ų | 106.7 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 177.7 | -74.1 | 178.5 | 3.1 | 0 | 0 | 111.6 | T91 T92 Q93 K98 Q99 | T91-Q95 WeakPolarHBondContact O-CG 3.42Å; T91-Q95 PolarHBondContact O-N 3.49Å; T92-Q95 PolarHBondContact O-N 3.03Å; Q93-Q95 VanDerWaalsContact C-N 3.35Å; Q93-Q95 PolarHBondContact O-N 3.42Å; Q95-K98 PolarHBondContact O-N 3.32Å; Q95-Q99 WeakPolarHBondContact O-CG 3.38Å; Q95-Q99 PolarHBondContact O-N 2.9Å |
| 96 | Y | 94.6 | Very high | 89.4 | Confident | 151 Ų | 151 | 104.8 Ų | 104.8 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.1 | -50.5 | 175 | 174.9 | -99.9 | 0 | 0 | 0 | 111.7 | T92 Q93 K98 Q99 V100 | T92-Y96 WeakPolarHBondContact O-CB 3.45Å; T92-Y96 PolarHBondContact O-N 2.97Å; Q93-Y96 PolarHBondContact O-N 3.49Å; Y96-K98 VanDerWaalsContact C-N 3.32Å; Y96-K98 PolarHBondContact O-N 3.3Å; Y96-Q99 WeakPolarHBondContact O-CB 3.33Å; Y96-Q99 PolarHBondContact O-N 2.99Å; Y96-Q99 VanDerWaalsContact O-N 3.08Å; Y96-V100 HydrophobicContact CD1-CG2 4.32Å; Y96-V100 HydrophobicContact CD2-CG2 4.41Å; Y96-V100 HydrophobicContact CE1-CG2 3.85Å; Y96-V100 HydrophobicContact CE2-CG2 3.96Å; Y96-V100 WeakPolarHBondContact O-CG2 3.39Å; Y96-V100 PolarHBondContact O-N 3.45Å |
| 97 | L | 92.1 | Very high | 88.3 | Confident | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 178.1 | -74.3 | 171.8 | 0 | 0 | 0 | 112 | Q93 I94 Q99 V100 Q101 | Q93-L97 WeakPolarHBondContact O-CB 3.44Å; Q93-L97 WeakPolarHBondContact O-CG 3.4Å; Q93-L97 PolarHBondContact O-N 3.21Å; I94-L97 PolarHBondContact O-N 2.87Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 2.97Å; L97-V100 PolarHBondContact O-N 3.31Å; L97-Q101 WeakPolarHBondContact O-CB 3.37Å; L97-Q101 PolarHBondContact O-N 3.39Å |
| 98 | K | 89.9 | Confident | 87.2 | Confident | 140 Ų | 140 | 103.8 Ų | 103.8 | 61% | 0.609 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61 | -38.2 | 174.5 | -78.9 | 179.5 | 176.9 | -177.5 | 0 | 112.3 | I94 Q95 Y96 Q102 | I94-K98 HydrophobicContact CG2-CD 4.11Å; I94-K98 HydrophobicContact CG2-CG 4.43Å; I94-K98 WeakPolarHBondContact O-CB 3.41Å; I94-K98 VanDerWaalsContact O-CG 3.31Å; I94-K98 WeakPolarHBondContact O-CG 3.33Å; I94-K98 PolarHBondContact O-N 2.9Å; Q95-K98 PolarHBondContact O-N 3.32Å; Y96-K98 VanDerWaalsContact C-N 3.32Å; Y96-K98 PolarHBondContact O-N 3.3Å; K98-Q102 WeakPolarHBondContact O-CG 3.5Å; K98-Q102 PolarHBondContact O-N 2.94Å |
| 99 | Q | 85.9 | Confident | 86.1 | Confident | 150 Ų | 150 | 105.5 Ų | 105.5 | 70% | 0.701 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.2 | -43.6 | 175.8 | -72.6 | 178.2 | 13.6 | 0 | 0 | 111.8 | Q95 Y96 L97 | Q95-Q99 WeakPolarHBondContact O-CG 3.38Å; Q95-Q99 PolarHBondContact O-N 2.9Å; Y96-Q99 WeakPolarHBondContact O-CB 3.33Å; Y96-Q99 PolarHBondContact O-N 2.99Å; Y96-Q99 VanDerWaalsContact O-N 3.08Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 2.97Å |
| 100 | V | 82.6 | Confident | 84.9 | Confident | 95 Ų | 95 | 103.6 Ų | 103.6 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.6 | -35.3 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | Y96 L97 | Y96-V100 HydrophobicContact CD1-CG2 4.32Å; Y96-V100 HydrophobicContact CD2-CG2 4.41Å; Y96-V100 HydrophobicContact CE1-CG2 3.85Å; Y96-V100 HydrophobicContact CE2-CG2 3.96Å; Y96-V100 WeakPolarHBondContact O-CG2 3.39Å; Y96-V100 PolarHBondContact O-N 3.45Å; L97-V100 PolarHBondContact O-N 3.31Å |
| 101 | Q | 78.3 | Confident | 83.6 | Confident | 163 Ų | 163 | 105.9 Ų | 105.9 | 76% | 0.762 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0.2 | -176.6 | -157.6 | -177.6 | 75.2 | 0 | 0 | 113.4 | L97 P103 | L97-Q101 WeakPolarHBondContact O-CB 3.37Å; L97-Q101 PolarHBondContact O-N 3.39Å; Q101-P103 VanDerWaalsContact C-CD 3.48Å; Q101-P103 WeakPolarHBondContact O-CD 3.38Å |
| 102 | Q | 74.8 | Confident | 82.6 | Confident | 150 Ų | 150 | 109.8 Ų | 109.8 | 70% | 0.701 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -86.5 | 91.4 | 168.8 | -78.6 | -78.8 | -24.2 | 0 | 0 | 108.6 | K98 S104 | K98-Q102 WeakPolarHBondContact O-CG 3.5Å; K98-Q102 PolarHBondContact O-N 2.94Å; Q102-S104 PolarHBondContact O-N 2.8Å |
| 103 | P | 71.1 | Confident | 81.7 | Confident | 54 Ų | 54 | 108 Ų | 108 | 35% | 0.351 | 55% | 0.551 | S | S | . | * | trans | -58.3 | 132.5 | 173 | 26 | -35.3 | 0 | 0 | 0 | 108.6 | Q101 Q107 L108 | Q101-P103 VanDerWaalsContact C-CD 3.48Å; Q101-P103 WeakPolarHBondContact O-CD 3.38Å; P103-Q107 HydrophobicContact CB-CB 4.09Å; P103-L108 HydrophobicContact CB-CD2 4.26Å; P103-L108 HydrophobicContact CB-CG 3.98Å; P103-L108 HydrophobicContact CG-CD1 4.1Å; P103-L108 HydrophobicContact CG-CD2 3.58Å; P103-L108 HydrophobicContact CG-CG 3.64Å | ||
| 104 | S | 79.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 40% | 0.399 | 54% | 0.544 | S | S | . | . | trans | -54.8 | 150.7 | 173.4 | 64.3 | 0 | 0 | 0 | 0 | 109.9 | Q102 A106 Q107 L108 | Q102-S104 PolarHBondContact O-N 2.8Å; S104-A106 PolarHBondContact O-N 3.33Å; S104-Q107 WeakPolarHBondContact O-CA 3.47Å; S104-Q107 WeakPolarHBondContact O-CB 3.33Å; S104-Q107 PolarHBondContact O-N 3.44Å; S104-Q107 WeakPolarHBondContact OG-CG 3.39Å; S104-Q107 PolarHBondContact OG-N 2.9Å; S104-Q107 PolarHBondContact OG-OE1 2.96Å; S104-L108 PolarHBondContact O-N 3.3Å | ||
| 105 | V | 75.7 | Confident | 80.5 | Confident | 95 Ų | 95 | 107 Ų | 107 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -52.4 | -31.7 | 176.2 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | R109 | V105-R109 WeakPolarHBondContact O-CB 3.48Å; V105-R109 VanDerWaalsContact O-CG 3.23Å; V105-R109 WeakPolarHBondContact O-CG 3.48Å; V105-R109 PolarHBondContact O-N 3.39Å |
| 106 | A | 77.6 | Confident | 80 | Confident | 70 Ų | 70 | 104.4 Ų | 104.4 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67 | -43.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | S104 R109 S110 | S104-A106 PolarHBondContact O-N 3.33Å; A106-R109 PolarHBondContact O-N 2.97Å; A106-S110 WeakPolarHBondContact O-CB 3.44Å; A106-S110 PolarHBondContact O-N 2.86Å |
| 107 | Q | 76.2 | Confident | 79.6 | Confident | 114 Ų | 114 | 101.3 Ų | 101.3 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.6 | -74.3 | 165 | -48 | 0 | 0 | 111.4 | P103 S104 R109 S110 T111 | P103-Q107 HydrophobicContact CB-CB 4.09Å; S104-Q107 WeakPolarHBondContact O-CA 3.47Å; S104-Q107 WeakPolarHBondContact O-CB 3.33Å; S104-Q107 PolarHBondContact O-N 3.44Å; S104-Q107 WeakPolarHBondContact OG-CG 3.39Å; S104-Q107 PolarHBondContact OG-N 2.9Å; S104-Q107 PolarHBondContact OG-OE1 2.96Å; Q107-R109 PolarHBondContact O-N 3.08Å; Q107-S110 WeakPolarHBondContact O-CB 3.5Å; Q107-S110 PolarHBondContact O-N 2.73Å; Q107-S110 VanDerWaalsContact O-N 3.16Å; Q107-T111 PolarHBondContact O-N 3.45Å; Q107-T111 PolarHBondContact O-OG1 3.43Å |
| 108 | L | 75.2 | Confident | 79.3 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 40% | 0.398 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 174.8 | -76.9 | 170.1 | 0 | 0 | 0 | 112 | P103 S104 S110 T111 M112 | P103-L108 HydrophobicContact CB-CD2 4.26Å; P103-L108 HydrophobicContact CB-CG 3.98Å; P103-L108 HydrophobicContact CG-CD1 4.1Å; P103-L108 HydrophobicContact CG-CD2 3.58Å; P103-L108 HydrophobicContact CG-CG 3.64Å; S104-L108 PolarHBondContact O-N 3.3Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.46Å; L108-T111 WeakPolarHBondContact CA-OG1 3.39Å; L108-T111 PolarHBondContact O-N 2.94Å; L108-T111 PolarHBondContact O-OG1 3.44Å; L108-M112 WeakPolarHBondContact O-CG 3.35Å; L108-M112 PolarHBondContact O-N 2.97Å |
| 109 | R | 75 | Confident | 79.1 | Confident | 165 Ų | 165 | 97.1 Ų | 97.1 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.2 | -44.8 | 174 | -76.1 | 176 | -171.6 | -176.1 | 4.1 | 111 | V105 A106 Q107 T111 M112 V113 | V105-R109 WeakPolarHBondContact O-CB 3.48Å; V105-R109 VanDerWaalsContact O-CG 3.23Å; V105-R109 WeakPolarHBondContact O-CG 3.48Å; V105-R109 PolarHBondContact O-N 3.39Å; A106-R109 PolarHBondContact O-N 2.97Å; Q107-R109 PolarHBondContact O-N 3.08Å; R109-T111 VanDerWaalsContact C-N 3.28Å; R109-T111 PolarHBondContact O-N 3.23Å; R109-M112 PolarHBondContact O-N 2.96Å; R109-V113 WeakPolarHBondContact O-CG2 3.41Å; R109-V113 PolarHBondContact O-N 3.28Å |
| 110 | S | 73.3 | Confident | 79.2 | Confident | 56 Ų | 56 | 96.7 Ų | 96.7 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -29.1 | 178.3 | -171.6 | 0 | 0 | 0 | 0 | 113.6 | A106 Q107 L108 | A106-S110 WeakPolarHBondContact O-CB 3.44Å; A106-S110 PolarHBondContact O-N 2.86Å; Q107-S110 WeakPolarHBondContact O-CB 3.5Å; Q107-S110 PolarHBondContact O-N 2.73Å; Q107-S110 VanDerWaalsContact O-N 3.16Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.46Å |
| 111 | T | 71.1 | Confident | 79.4 | Confident | 112 Ų | 112 | 98.4 Ų | 98.4 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -82 | -24.3 | 174.8 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | Q107 L108 R109 | Q107-T111 PolarHBondContact O-N 3.45Å; Q107-T111 PolarHBondContact O-OG1 3.43Å; L108-T111 WeakPolarHBondContact CA-OG1 3.39Å; L108-T111 PolarHBondContact O-N 2.94Å; L108-T111 PolarHBondContact O-OG1 3.44Å; R109-T111 VanDerWaalsContact C-N 3.28Å; R109-T111 PolarHBondContact O-N 3.23Å |
| 112 | M | 76.1 | Confident | 79.9 | Confident | 148 Ų | 148 | 95.5 Ų | 95.5 | 73% | 0.729 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -85.3 | -23.9 | 177.9 | -74.4 | -172.1 | -64.5 | 0 | 0 | 113.1 | L108 R109 | L108-M112 WeakPolarHBondContact O-CG 3.35Å; L108-M112 PolarHBondContact O-N 2.97Å; R109-M112 PolarHBondContact O-N 2.96Å |
| 113 | V | 78.8 | Confident | 80.7 | Confident | 49 Ų | 49 | 94.6 Ų | 94.6 | 30% | 0.297 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -87.8 | 130.7 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | R109 I117 N118 | R109-V113 WeakPolarHBondContact O-CG2 3.41Å; R109-V113 PolarHBondContact O-N 3.28Å; V113-I117 HydrophobicContact CG1-CB 3.99Å; V113-I117 HydrophobicContact CG1-CG2 3.76Å; V113-N118 HydrophobicContact CB-CB 4.19Å; V113-N118 HydrophobicContact CG1-CB 3.76Å |
| 114 | D | 85.4 | Confident | 81.8 | Confident | 83 Ų | 83 | 97.7 Ų | 97.7 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | trans | -50.4 | 135.4 | 172.7 | 170 | -90.6 | 0 | 0 | 0 | 110.5 | A116 I117 N118 | D114-A116 VanDerWaalsContact C-N 3.26Å; D114-A116 PolarHBondContact O-N 3.26Å; D114-A116 WeakPolarHBondContact OD1-CA 3.13Å; D114-A116 VanDerWaalsContact OD1-CB 3.29Å; D114-A116 WeakPolarHBondContact OD1-CB 3.04Å; D114-A116 PolarHBondContact OD1-N 3.26Å; D114-I117 HydrophobicContact CB-CB 4.04Å; D114-I117 HydrophobicContact CB-CD1 3.86Å; D114-I117 HydrophobicContact CB-CG1 3.89Å; D114-I117 CarbonylContact O-C 3.6Å; D114-I117 PolarHBondContact O-N 2.94Å; D114-I117 PolarHBondContact OD1-N 3.44Å; D114-I117 VanDerWaalsContact OD1-N 3.08Å; D114-N118 PolarHBondContact O-N 3.46Å | ||
| 115 | P | 82.2 | Confident | 82.4 | Confident | 104 Ų | 104 | 101.7 Ų | 101.7 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -55.9 | -36.3 | -174.4 | -28.3 | 35.4 | 0 | 0 | 0 | 114.5 | L119 | P115-L119 PolarHBondContact O-N 2.9Å; P115-L119 VanDerWaalsContact O-N 3.16Å |
| 116 | A | 84.9 | Confident | 83.3 | Confident | 55 Ų | 55 | 99.1 Ų | 99.1 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.2 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | D114 N118 L119 F120 | D114-A116 VanDerWaalsContact C-N 3.26Å; D114-A116 PolarHBondContact O-N 3.26Å; D114-A116 WeakPolarHBondContact OD1-CA 3.13Å; D114-A116 VanDerWaalsContact OD1-CB 3.29Å; D114-A116 WeakPolarHBondContact OD1-CB 3.04Å; D114-A116 PolarHBondContact OD1-N 3.26Å; A116-N118 PolarHBondContact O-N 2.99Å; A116-L119 PolarHBondContact O-N 2.89Å; A116-F120 WeakPolarHBondContact O-CD2 3.4Å; A116-F120 PolarHBondContact O-N 2.9Å; A116-F120 VanDerWaalsContact O-N 3.15Å |
| 117 | I | 85.3 | Confident | 84.2 | Confident | 86 Ų | 86 | 100.8 Ų | 100.8 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.5 | -62.4 | -178.2 | 0 | 0 | 0 | 111.3 | V113 D114 L119 F120 F121 | V113-I117 HydrophobicContact CG1-CB 3.99Å; V113-I117 HydrophobicContact CG1-CG2 3.76Å; D114-I117 HydrophobicContact CB-CB 4.04Å; D114-I117 HydrophobicContact CB-CD1 3.86Å; D114-I117 HydrophobicContact CB-CG1 3.89Å; D114-I117 CarbonylContact O-C 3.6Å; D114-I117 PolarHBondContact O-N 2.94Å; D114-I117 PolarHBondContact OD1-N 3.44Å; D114-I117 VanDerWaalsContact OD1-N 3.08Å; I117-L119 VanDerWaalsContact C-N 3.31Å; I117-L119 PolarHBondContact O-N 3.45Å; I117-F120 PolarHBondContact O-N 2.94Å; I117-F121 HydrophobicContact CG2-CD2 3.81Å; I117-F121 HydrophobicContact CG2-CE2 3.78Å; I117-F121 WeakPolarHBondContact O-CD2 3.42Å; I117-F121 PolarHBondContact O-N 2.64Å |
| 118 | N | 86.1 | Confident | 85.2 | Confident | 40 Ų | 40 | 101 Ų | 101 | 21% | 0.214 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 177.9 | -173.8 | 49.7 | 0 | 0 | 0 | 111.5 | V113 D114 A116 F120 F121 L122 | V113-N118 HydrophobicContact CB-CB 4.19Å; V113-N118 HydrophobicContact CG1-CB 3.76Å; D114-N118 PolarHBondContact O-N 3.46Å; A116-N118 PolarHBondContact O-N 2.99Å; N118-F120 VanDerWaalsContact C-N 3.34Å; N118-F120 PolarHBondContact O-N 3.01Å; N118-F121 PolarHBondContact O-N 2.78Å; N118-L122 WeakPolarHBondContact O-CG 3.44Å; N118-L122 PolarHBondContact O-N 3.48Å |
| 119 | L | 85.6 | Confident | 86.2 | Confident | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | 176.8 | -173.1 | 64.9 | 0 | 0 | 0 | 111.8 | P115 A116 I117 L122 K123 | P115-L119 PolarHBondContact O-N 2.9Å; P115-L119 VanDerWaalsContact O-N 3.16Å; A116-L119 PolarHBondContact O-N 2.89Å; I117-L119 VanDerWaalsContact C-N 3.31Å; I117-L119 PolarHBondContact O-N 3.45Å; L119-L122 PolarHBondContact O-N 3.08Å; L119-K123 WeakPolarHBondContact O-CB 3.27Å; L119-K123 PolarHBondContact O-N 2.91Å |
| 120 | F | 88.8 | Confident | 87.2 | Confident | 140 Ų | 140 | 98.8 Ų | 98.8 | 61% | 0.614 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 174.7 | -76.3 | -65.3 | 0 | 0 | 0 | 112.2 | A116 I117 N118 L122 K123 M124 | A116-F120 WeakPolarHBondContact O-CD2 3.4Å; A116-F120 PolarHBondContact O-N 2.9Å; A116-F120 VanDerWaalsContact O-N 3.15Å; I117-F120 PolarHBondContact O-N 2.94Å; N118-F120 VanDerWaalsContact C-N 3.34Å; N118-F120 PolarHBondContact O-N 3.01Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 3.07Å; F120-K123 PolarHBondContact O-N 3.37Å; F120-M124 WeakPolarHBondContact O-CB 3.49Å; F120-M124 VanDerWaalsContact O-CG 3.3Å; F120-M124 WeakPolarHBondContact O-CG 2.99Å; F120-M124 PolarHBondContact O-N 3.25Å |
| 121 | F | 86.9 | Confident | 88.3 | Confident | 131 Ų | 131 | 99.8 Ų | 99.8 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.1 | -42.2 | 175.9 | -90.5 | -73.5 | 0 | 0 | 0 | 112.7 | I117 N118 K125 | I117-F121 HydrophobicContact CG2-CD2 3.81Å; I117-F121 HydrophobicContact CG2-CE2 3.78Å; I117-F121 WeakPolarHBondContact O-CD2 3.42Å; I117-F121 PolarHBondContact O-N 2.64Å; N118-F121 PolarHBondContact O-N 2.78Å; F121-K125 VanDerWaalsContact O-CB 3.32Å; F121-K125 WeakPolarHBondContact O-CB 3.45Å; F121-K125 PolarHBondContact O-N 3.46Å |
| 122 | L | 87.6 | Confident | 89.5 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.2 | -72.2 | 172 | 0 | 0 | 0 | 111.5 | N118 L119 F120 K125 G126 | N118-L122 WeakPolarHBondContact O-CG 3.44Å; N118-L122 PolarHBondContact O-N 3.48Å; L119-L122 PolarHBondContact O-N 3.08Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 3.07Å; L122-K125 PolarHBondContact O-N 3.02Å; L122-G126 PolarHBondContact O-N 3.44Å |
| 123 | K | 91.8 | Very high | 90.4 | Very high | 131 Ų | 131 | 97.5 Ų | 97.5 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.5 | -47.4 | 178.2 | -166 | -179.9 | -179 | -175.2 | 0 | 111.6 | L119 F120 K125 G126 E127 | L119-K123 WeakPolarHBondContact O-CB 3.27Å; L119-K123 PolarHBondContact O-N 2.91Å; F120-K123 PolarHBondContact O-N 3.37Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 3.36Å; K123-G126 PolarHBondContact O-N 3Å; K123-G126 VanDerWaalsContact O-N 3.17Å; K123-E127 VanDerWaalsContact CE-OE1 3.25Å; K123-E127 WeakPolarHBondContact CE-OE1 3.45Å; K123-E127 WeakPolarHBondContact O-CG 3.48Å; K123-E127 PolarHBondContact O-N 3.1Å |
| 124 | M | 94.1 | Very high | 91.3 | Very high | 119 Ų | 119 | 100.7 Ų | 100.7 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59 | -43.1 | 176 | -74.4 | 176.3 | 61.9 | 0 | 0 | 111.9 | F120 G126 E127 L128 | F120-M124 WeakPolarHBondContact O-CB 3.49Å; F120-M124 VanDerWaalsContact O-CG 3.3Å; F120-M124 WeakPolarHBondContact O-CG 2.99Å; F120-M124 PolarHBondContact O-N 3.25Å; M124-G126 VanDerWaalsContact C-N 3.34Å; M124-G126 PolarHBondContact O-N 3.4Å; M124-E127 PolarHBondContact O-N 3.43Å; M124-L128 VanDerWaalsContact O-CB 3.32Å; M124-L128 WeakPolarHBondContact O-CB 3.37Å; M124-L128 PolarHBondContact O-N 3.34Å |
| 125 | K | 93.8 | Very high | 91.7 | Very high | 141 Ų | 141 | 102 Ų | 102 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 176.7 | -170.7 | -177.6 | 177.2 | -172.7 | 0 | 111.4 | F121 L122 K123 L128 E129 | F121-K125 VanDerWaalsContact O-CB 3.32Å; F121-K125 WeakPolarHBondContact O-CB 3.45Å; F121-K125 PolarHBondContact O-N 3.46Å; L122-K125 PolarHBondContact O-N 3.02Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 3.36Å; K125-L128 PolarHBondContact O-N 3.49Å; K125-E129 PolarHBondContact O-N 3.14Å |
| 126 | G | 94.2 | Very high | 92.4 | Very high | 42 Ų | 42 | 102.3 Ų | 102.3 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L122 K123 M124 L128 E129 Q130 | L122-G126 PolarHBondContact O-N 3.44Å; K123-G126 PolarHBondContact O-N 3Å; K123-G126 VanDerWaalsContact O-N 3.17Å; M124-G126 VanDerWaalsContact C-N 3.34Å; M124-G126 PolarHBondContact O-N 3.4Å; G126-L128 VanDerWaalsContact C-N 3.34Å; G126-E129 PolarHBondContact O-N 2.95Å; G126-Q130 VanDerWaalsContact O-CB 3.31Å; G126-Q130 WeakPolarHBondContact O-CB 3.27Å; G126-Q130 PolarHBondContact O-N 3.47Å |
| 127 | E | 95.6 | Very high | 92.8 | Very high | 104 Ų | 104 | 105 Ų | 105 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 175.7 | -72.3 | 175 | -171 | 0 | 0 | 111.7 | K123 M124 T131 | K123-E127 VanDerWaalsContact CE-OE1 3.25Å; K123-E127 WeakPolarHBondContact CE-OE1 3.45Å; K123-E127 WeakPolarHBondContact O-CG 3.48Å; K123-E127 PolarHBondContact O-N 3.1Å; M124-E127 PolarHBondContact O-N 3.43Å; E127-T131 WeakPolarHBondContact O-CB 3.49Å; E127-T131 VanDerWaalsContact O-CG2 3.3Å; E127-T131 WeakPolarHBondContact O-CG2 3.15Å; E127-T131 PolarHBondContact O-N 3.47Å; E127-T131 PolarHBondContact O-OG1 3.32Å |
| 128 | L | 96.9 | Very high | 93.1 | Very high | 118 Ų | 118 | 103.4 Ų | 103.4 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -45.9 | 175.4 | -176.1 | 65.9 | 0 | 0 | 0 | 112.4 | M124 K125 G126 T131 K132 | M124-L128 VanDerWaalsContact O-CB 3.32Å; M124-L128 WeakPolarHBondContact O-CB 3.37Å; M124-L128 PolarHBondContact O-N 3.34Å; K125-L128 PolarHBondContact O-N 3.49Å; G126-L128 VanDerWaalsContact C-N 3.34Å; L128-T131 WeakPolarHBondContact CA-OG1 3.37Å; L128-T131 PolarHBondContact O-N 3.16Å; L128-T131 PolarHBondContact O-OG1 3.17Å; L128-K132 WeakPolarHBondContact O-CB 3.37Å; L128-K132 PolarHBondContact O-N 2.99Å |
| 129 | E | 96.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 107.6 Ų | 107.6 | 41% | 0.407 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 177.7 | -155 | 71.5 | -135.2 | 0 | 0 | 110.5 | K125 G126 T131 K132 D133 | K125-E129 PolarHBondContact O-N 3.14Å; G126-E129 PolarHBondContact O-N 2.95Å; E129-T131 VanDerWaalsContact C-N 3.3Å; E129-T131 PolarHBondContact O-N 2.91Å; E129-K132 WeakPolarHBondContact O-CB 3.23Å; E129-K132 PolarHBondContact O-N 3.29Å; E129-K132 VanDerWaalsContact O-N 3.11Å; E129-D133 PolarHBondContact O-N 3.41Å |
| 130 | Q | 96.4 | Very high | 93.7 | Very high | 109 Ų | 109 | 106.2 Ų | 106.2 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -34.8 | -179.6 | -165.4 | -175.2 | 83.4 | 0 | 0 | 112.6 | G126 K134 | G126-Q130 VanDerWaalsContact O-CB 3.31Å; G126-Q130 WeakPolarHBondContact O-CB 3.27Å; G126-Q130 PolarHBondContact O-N 3.47Å; Q130-K134 WeakPolarHBondContact O-CB 3.41Å; Q130-K134 VanDerWaalsContact O-CG 3.27Å; Q130-K134 WeakPolarHBondContact O-CG 3.4Å; Q130-K134 PolarHBondContact O-N 3.19Å; Q130-K134 VanDerWaalsContact O-N 3.11Å |
| 131 | T | 95.7 | Very high | 93.8 | Very high | 77 Ų | 77 | 104.1 Ų | 104.1 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.7 | -36.8 | 174.6 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | E127 L128 E129 K134 L135 | E127-T131 WeakPolarHBondContact O-CB 3.49Å; E127-T131 VanDerWaalsContact O-CG2 3.3Å; E127-T131 WeakPolarHBondContact O-CG2 3.15Å; E127-T131 PolarHBondContact O-N 3.47Å; E127-T131 PolarHBondContact O-OG1 3.32Å; L128-T131 WeakPolarHBondContact CA-OG1 3.37Å; L128-T131 PolarHBondContact O-N 3.16Å; L128-T131 PolarHBondContact O-OG1 3.17Å; E129-T131 VanDerWaalsContact C-N 3.3Å; E129-T131 PolarHBondContact O-N 2.91Å; T131-K134 PolarHBondContact O-N 2.91Å; T131-L135 WeakPolarHBondContact O-CB 3.28Å; T131-L135 PolarHBondContact O-N 3.04Å |
| 132 | K | 96.7 | Very high | 93.8 | Very high | 123 Ų | 123 | 102.9 Ų | 102.9 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 173.7 | -169.5 | -175.7 | 171.6 | -161.5 | 0 | 111.9 | L128 E129 K134 L135 E136 | L128-K132 WeakPolarHBondContact O-CB 3.37Å; L128-K132 PolarHBondContact O-N 2.99Å; E129-K132 WeakPolarHBondContact O-CB 3.23Å; E129-K132 PolarHBondContact O-N 3.29Å; E129-K132 VanDerWaalsContact O-N 3.11Å; K132-K134 PolarHBondContact O-N 3.04Å; K132-L135 WeakPolarHBondContact O-CB 3.41Å; K132-L135 PolarHBondContact O-N 3.12Å; K132-E136 PolarHBondContact O-N 2.92Å |
| 133 | D | 96.6 | Very high | 93.6 | Very high | 88 Ų | 88 | 100.7 Ų | 100.7 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 175.3 | -70.1 | -15.9 | 0 | 0 | 0 | 111.4 | E129 L135 E136 Q137 | E129-D133 PolarHBondContact O-N 3.41Å; D133-L135 VanDerWaalsContact C-N 3.32Å; D133-L135 PolarHBondContact O-N 3.24Å; D133-E136 PolarHBondContact O-N 3.21Å; D133-Q137 WeakPolarHBondContact O-CB 3.19Å; D133-Q137 PolarHBondContact O-N 3.18Å |
| 134 | K | 95.8 | Very high | 93.1 | Very high | 117 Ų | 117 | 97.3 Ų | 97.3 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 176.1 | -75.2 | 170.4 | -177.8 | 167.7 | 0 | 112.1 | Q130 T131 K132 Q137 A138 | Q130-K134 WeakPolarHBondContact O-CB 3.41Å; Q130-K134 VanDerWaalsContact O-CG 3.27Å; Q130-K134 WeakPolarHBondContact O-CG 3.4Å; Q130-K134 PolarHBondContact O-N 3.19Å; Q130-K134 VanDerWaalsContact O-N 3.11Å; T131-K134 PolarHBondContact O-N 2.91Å; K132-K134 PolarHBondContact O-N 3.04Å; K134-Q137 PolarHBondContact O-N 3.36Å; K134-A138 VanDerWaalsContact O-CB 3.3Å; K134-A138 WeakPolarHBondContact O-CB 3.49Å; K134-A138 PolarHBondContact O-N 3.47Å |
| 135 | L | 95.3 | Very high | 92.1 | Very high | 110 Ų | 110 | 99.1 Ų | 99.1 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 176.4 | 178.1 | 64.7 | 0 | 0 | 0 | 111 | T131 K132 D133 Q137 A138 Q139 | T131-L135 WeakPolarHBondContact O-CB 3.28Å; T131-L135 PolarHBondContact O-N 3.04Å; K132-L135 WeakPolarHBondContact O-CB 3.41Å; K132-L135 PolarHBondContact O-N 3.12Å; D133-L135 VanDerWaalsContact C-N 3.32Å; D133-L135 PolarHBondContact O-N 3.24Å; L135-Q137 VanDerWaalsContact C-N 3.34Å; L135-A138 PolarHBondContact O-N 3.44Å; L135-Q139 VanDerWaalsContact O-CB 3.26Å; L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-N 2.87Å |
| 136 | E | 95.8 | Very high | 90.9 | Very high | 111 Ų | 111 | 100.4 Ų | 100.4 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.3 | -174.9 | 173.9 | 171.7 | 0 | 0 | 111.1 | K132 D133 Q139 N140 | K132-E136 PolarHBondContact O-N 2.92Å; D133-E136 PolarHBondContact O-N 3.21Å; E136-Q139 PolarHBondContact O-N 3.08Å; E136-N140 VanDerWaalsContact O-CB 3.31Å; E136-N140 WeakPolarHBondContact O-CB 3.42Å; E136-N140 PolarHBondContact O-N 2.97Å; E136-N140 PolarHBondContact O-ND2 3.33Å |
| 137 | Q | 94.1 | Very high | 89.2 | Confident | 111 Ų | 111 | 106.8 Ų | 106.8 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 175.2 | -175.1 | 179.4 | -7.4 | 0 | 0 | 111.8 | D133 K134 L135 Q139 N140 E141 | D133-Q137 WeakPolarHBondContact O-CB 3.19Å; D133-Q137 PolarHBondContact O-N 3.18Å; K134-Q137 PolarHBondContact O-N 3.36Å; L135-Q137 VanDerWaalsContact C-N 3.34Å; Q137-Q139 VanDerWaalsContact C-N 3.27Å; Q137-Q139 PolarHBondContact O-N 3.09Å; Q137-N140 PolarHBondContact O-N 2.89Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.35Å; Q137-E141 PolarHBondContact NE2-OE1 2.76Å; Q137-E141 WeakPolarHBondContact O-CB 3.21Å; Q137-E141 WeakPolarHBondContact O-CG 3.37Å; Q137-E141 PolarHBondContact O-N 3.4Å |
| 138 | A | 91.6 | Very high | 87.3 | Confident | 52 Ų | 52 | 105.6 Ų | 105.6 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | K134 L135 L142 | K134-A138 VanDerWaalsContact O-CB 3.3Å; K134-A138 WeakPolarHBondContact O-CB 3.49Å; K134-A138 PolarHBondContact O-N 3.47Å; L135-A138 PolarHBondContact O-N 3.44Å; A138-L142 WeakPolarHBondContact O-CB 3.44Å; A138-L142 PolarHBondContact O-N 3.23Å |
| 139 | Q | 92.6 | Very high | 85.3 | Confident | 128 Ų | 128 | 106.1 Ų | 106.1 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.3 | -40.1 | 176.4 | -173.6 | 150.5 | -34.3 | 0 | 0 | 112 | L135 E136 Q137 L142 S143 | L135-Q139 VanDerWaalsContact O-CB 3.26Å; L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-N 2.87Å; E136-Q139 PolarHBondContact O-N 3.08Å; Q137-Q139 VanDerWaalsContact C-N 3.27Å; Q137-Q139 PolarHBondContact O-N 3.09Å; Q139-L142 PolarHBondContact O-N 3.03Å; Q139-S143 WeakPolarHBondContact O-CB 3.47Å; Q139-S143 PolarHBondContact O-N 3.22Å; Q139-S143 PolarHBondContact O-OG 3.3Å |
| 140 | N | 91.5 | Very high | 83.1 | Confident | 90 Ų | 90 | 109 Ų | 109 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.9 | -45 | 173.5 | -74.8 | -21.6 | 0 | 0 | 0 | 110.8 | E136 Q137 S143 A144 | E136-N140 VanDerWaalsContact O-CB 3.31Å; E136-N140 WeakPolarHBondContact O-CB 3.42Å; E136-N140 PolarHBondContact O-N 2.97Å; E136-N140 PolarHBondContact O-ND2 3.33Å; Q137-N140 PolarHBondContact O-N 2.89Å; N140-S143 PolarHBondContact O-N 2.94Å; N140-S143 PolarHBondContact O-OG 2.95Å; N140-A144 WeakPolarHBondContact O-CB 3.43Å; N140-A144 PolarHBondContact O-N 3.26Å |
| 141 | E | 91.5 | Very high | 81.1 | Confident | 95 Ų | 95 | 113.7 Ų | 113.7 | 44% | 0.444 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59 | -51.4 | 174 | -73.5 | 173.6 | -166.5 | 0 | 0 | 111 | Q137 S143 A144 W145 | Q137-E141 WeakPolarHBondContact CG-OE1 3.35Å; Q137-E141 PolarHBondContact NE2-OE1 2.76Å; Q137-E141 WeakPolarHBondContact O-CB 3.21Å; Q137-E141 WeakPolarHBondContact O-CG 3.37Å; Q137-E141 PolarHBondContact O-N 3.4Å; E141-S143 VanDerWaalsContact C-N 3.26Å; E141-S143 PolarHBondContact O-N 2.96Å; E141-A144 CarbonylContact O-C 3.58Å; E141-A144 WeakPolarHBondContact O-CA 3.4Å; E141-A144 WeakPolarHBondContact O-CB 3.41Å; E141-A144 PolarHBondContact O-N 3.18Å; E141-W145 PolarHBondContact O-N 2.89Å |
| 142 | L | 87.1 | Confident | 79.1 | Confident | 106 Ų | 106 | 113.4 Ų | 113.4 | 56% | 0.555 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.8 | -38.5 | 177.8 | -176 | 66.4 | 0 | 0 | 0 | 112.3 | A138 Q139 W145 K146 | A138-L142 WeakPolarHBondContact O-CB 3.44Å; A138-L142 PolarHBondContact O-N 3.23Å; Q139-L142 PolarHBondContact O-N 3.03Å; L142-W145 PolarHBondContact O-N 3.37Å; L142-K146 PolarHBondContact O-N 3.01Å; L142-K146 VanDerWaalsContact O-N 3.13Å |
| 143 | S | 83.1 | Confident | 76.7 | Confident | 55 Ų | 55 | 114.5 Ų | 114.5 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.7 | -40.2 | 174.6 | 79.7 | 0 | 0 | 0 | 0 | 111.4 | Q139 N140 E141 W145 K146 F147 | Q139-S143 WeakPolarHBondContact O-CB 3.47Å; Q139-S143 PolarHBondContact O-N 3.22Å; Q139-S143 PolarHBondContact O-OG 3.3Å; N140-S143 PolarHBondContact O-N 2.94Å; N140-S143 PolarHBondContact O-OG 2.95Å; E141-S143 VanDerWaalsContact C-N 3.26Å; E141-S143 PolarHBondContact O-N 2.96Å; S143-W145 VanDerWaalsContact C-N 3.34Å; S143-W145 PolarHBondContact O-N 3.04Å; S143-K146 WeakPolarHBondContact O-CB 3.31Å; S143-K146 PolarHBondContact O-N 3.11Å; S143-F147 VanDerWaalsContact O-CD2 3.28Å; S143-F147 WeakPolarHBondContact O-CD2 3.44Å |
| 144 | A | 81.3 | Confident | 74.2 | Confident | 61 Ų | 61 | 118.9 Ų | 118.9 | 50% | 0.504 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.6 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N140 E141 K146 F147 T148 | N140-A144 WeakPolarHBondContact O-CB 3.43Å; N140-A144 PolarHBondContact O-N 3.26Å; E141-A144 CarbonylContact O-C 3.58Å; E141-A144 WeakPolarHBondContact O-CA 3.4Å; E141-A144 WeakPolarHBondContact O-CB 3.41Å; E141-A144 PolarHBondContact O-N 3.18Å; A144-K146 VanDerWaalsContact C-N 3.28Å; A144-K146 PolarHBondContact O-N 3.1Å; A144-F147 PolarHBondContact O-N 3.41Å; A144-F147 VanDerWaalsContact O-N 3.12Å; A144-T148 PolarHBondContact O-N 3.42Å; A144-T148 PolarHBondContact O-OG1 2.98Å |
| 145 | W | 72.1 | Confident | 72 | Confident | 157 Ų | 157 | 118.3 Ų | 118.3 | 60% | 0.595 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.9 | -28.5 | 173.7 | -77.3 | 105.5 | 0 | 0 | 0 | 113.6 | E141 L142 S143 F147 T148 | E141-W145 PolarHBondContact O-N 2.89Å; L142-W145 PolarHBondContact O-N 3.37Å; S143-W145 VanDerWaalsContact C-N 3.34Å; S143-W145 PolarHBondContact O-N 3.04Å; W145-F147 PolarHBondContact O-N 3.35Å; W145-T148 PolarHBondContact O-OG1 3.33Å |
| 146 | K | 68.4 | Low | 69.9 | Low | 168 Ų | 168 | 117.4 Ų | 117.4 | 73% | 0.73 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -16.3 | 174.5 | -79.7 | -178.5 | 175.5 | 180 | 0 | 113.4 | L142 S143 A144 | L142-K146 PolarHBondContact O-N 3.01Å; L142-K146 VanDerWaalsContact O-N 3.13Å; S143-K146 WeakPolarHBondContact O-CB 3.31Å; S143-K146 PolarHBondContact O-N 3.11Å; A144-K146 VanDerWaalsContact C-N 3.28Å; A144-K146 PolarHBondContact O-N 3.1Å |
| 147 | F | 58 | Low | 67.5 | Low | 176 Ų | 176 | 118.5 Ų | 118.5 | 77% | 0.772 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 2.3 | -176.6 | -75 | -74 | 0 | 0 | 0 | 114.4 | S143 A144 W145 P149 | S143-F147 VanDerWaalsContact O-CD2 3.28Å; S143-F147 WeakPolarHBondContact O-CD2 3.44Å; A144-F147 PolarHBondContact O-N 3.41Å; A144-F147 VanDerWaalsContact O-N 3.12Å; W145-F147 PolarHBondContact O-N 3.35Å; F147-P149 VanDerWaalsContact O-CD 3.26Å; F147-P149 WeakPolarHBondContact O-CD 3.24Å |
| 148 | T | 56.1 | Low | 65.1 | Low | 79 Ų | 79 | 124.2 Ų | 124.2 | 49% | 0.485 | 66% | 0.662 | S | S | . | * | trans | -77.1 | 114.8 | 169.4 | 3 | 0 | 0 | 0 | 0 | 109.8 | A144 W145 D150 | A144-T148 PolarHBondContact O-N 3.42Å; A144-T148 PolarHBondContact O-OG1 2.98Å; W145-T148 PolarHBondContact O-OG1 3.33Å; T148-D150 PolarHBondContact O-N 3.44Å | ||
| 149 | P | 55.1 | Low | 62.7 | Low | 128 Ų | 128 | 126.7 Ų | 126.7 | 83% | 0.831 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -67.5 | -5.1 | -170.7 | -22.9 | 35.4 | 0 | 0 | 0 | 116.6 | F147 R151 | F147-P149 VanDerWaalsContact O-CD 3.26Å; F147-P149 WeakPolarHBondContact O-CD 3.24Å; P149-R151 PolarHBondContact O-N 2.85Å |
| 150 | D | 50.2 | Low | 60.6 | Low | 149 Ų | 149 | 129.7 Ų | 129.7 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | trans | -92.8 | 30.9 | -165.3 | -158.5 | 25.8 | 0 | 0 | 0 | 115.3 | T148 | T148-D150 PolarHBondContact O-N 3.44Š| ||
| 151 | R | 53.8 | Low | 58.3 | Low | 207 Ų | 207 | 134.2 Ų | 134.2 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | trans | -117.2 | 41.3 | 170.5 | -63.7 | -162.1 | -168.7 | -164.3 | 6.8 | 112.8 | P149 | P149-R151 PolarHBondContact O-N 2.85Š| ||
| 152 | G | 53.8 | Low | 56.2 | Low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | trans | -102.4 | 13.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 153 | L | 47.3 | Very low | 54.3 | Low | 146 Ų | 146 | 135.3 Ų | 135.3 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -146.3 | 87.3 | 177.7 | -88.8 | 160.4 | 0 | 0 | 0 | 110.1 | ||
| 154 | M | 44.1 | Very low | 52.5 | Low | 179 Ų | 179 | 138.6 Ų | 138.6 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | 178.5 | 65.6 | 138.1 | -79.2 | -32 | 154.9 | 0 | 0 | 106.9 | S156 | M154-S156 PolarHBondContact O-N 3Š| ||
| 155 | A | 49.9 | Very low | 50.8 | Low | 105 Ų | 105 | 140.3 Ų | 140.3 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | trans | -80.9 | 97 | 151.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 156 | S | 49.9 | Very low | 49.4 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -168.8 | 121.3 | 151.3 | -141.3 | 0 | 0 | 0 | 0 | 109.6 | M154 | M154-S156 PolarHBondContact O-N 3Š| ||
| 157 | D | 46.2 | Very low | 48.6 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 66.2 | 105.3 | 150.7 | -46.3 | -38 | 0 | 0 | 0 | 117.2 | ||||
| 158 | Y | 43.8 | Very low | 47.8 | Very low | 230 Ų | 230 | 142.5 Ų | 142.5 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | -165.5 | 121.1 | 110.3 | -111.8 | -86.3 | 0 | 0 | 0 | 110.4 | |||||
| 159 | S | 41 | Very low | 48.1 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -18.1 | 139.7 | 175.6 | -50.1 | 0 | 0 | 0 | 0 | 120.5 | E161 | S159-E161 PolarHBondContact O-N 3.07Š| ||
| 160 | E | 49.3 | Very low | 47.6 | Very low | 191 Ų | 191 | 150.3 Ų | 150.3 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -53.9 | 118.6 | 152.1 | -74.6 | 177.5 | 145.3 | 0 | 0 | 110.2 | ||||
| 161 | E | 42.8 | Very low | 47.5 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -118.2 | 111.5 | 148.9 | -79.4 | -139.6 | 159.2 | 0 | 0 | 108.9 | S159 A163 | S159-E161 PolarHBondContact O-N 3.07Å; E161-A163 PolarHBondContact O-N 2.97Å | ||
| 162 | V | 47.4 | Very low | 47.1 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 111.8 | 164.8 | 176.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 163 | A | 46.6 | Very low | 46.8 | Very low | 92 Ų | 92 | 151.6 Ų | 151.6 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -120.1 | 108.4 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | E161 | E161-A163 PolarHBondContact O-N 2.97Š| ||
| 164 | T | 46 | Very low | 46.7 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -67 | 163 | 170.7 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 165 | S | 44 | Very low | 46.9 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | 82.7 | 132.8 | 167.8 | -139.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 166 | E | 42.6 | Very low | 46.7 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | cis | -164.5 | 130.2 | 34.6 | -149.6 | 149.4 | -128.7 | 0 | 0 | 109 | F168 | E166-F168 HydrophobicContact CG-CD2 4.49Š| ||
| 167 | K | 53.6 | Low | 46.5 | Very low | 191 Ų | 191 | 157.7 Ų | 157.7 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | -65.6 | 142.3 | 157.2 | -76 | 178 | 175.7 | 176.6 | 0 | 107.4 | ||||
| 168 | F | 40.7 | Very low | 46.5 | Very low | 191 Ų | 191 | 159.5 Ų | 159.5 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -170.6 | 162.6 | 138.2 | -97.7 | -50.2 | 0 | 0 | 0 | 111.5 | E166 | E166-F168 HydrophobicContact CG-CD2 4.49Š| ||
| 169 | P | 62.3 | Low | 46.7 | Very low | 91 Ų | 91 | 153.6 Ų | 153.6 | 59% | 0.591 | 81% | 0.812 | S | S | * | * | trans | -117.3 | 160.5 | -130.9 | 36.3 | -18.1 | 0 | 0 | 0 | 112.8 | ||||
| 170 | F | 44.2 | Very low | 47.2 | Very low | 279 Ų | 279 | 158 Ų | 158 | 100% | 1.224 | 82% | 0.819 | S | S | * | * | 175.1 | 0 | 121.7 | -94.9 | -69.9 | 0 | 0 | 0 | 108.3 |
Retrieved 170 of 170 residues in 191.6 ms
(Link to these results)