| 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 | 43.3 | Very low | 67.8 | Low | 233 Ų | 233 | 168.2 Ų | 168.2 | 100% | 1.148 | 81% | 0.81 | S | S | * | * | 0 | 87.1 | 0 | -74.6 | -67.1 | -175.4 | 0 | 0 | 107.8 | R3 | M1-R3 PolarHBondContact O-N 3.48Š| |||
| 2 | D | 50.8 | Low | 69 | Low | 148 Ų | 148 | 160.8 Ų | 160.8 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -76.2 | 118.8 | -174.8 | -65.8 | -31.8 | 0 | 0 | 0 | 111.2 | R4 | D2-R4 PolarHBondContact O-N 3.38Š| ||
| 3 | R | 61 | Low | 70 | Confident | 245 Ų | 245 | 154.2 Ų | 154.2 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -84.9 | 85.2 | 172.2 | -60.8 | -173.1 | -169 | -168.7 | 3.3 | 109 | M1 K5 | M1-R3 PolarHBondContact O-N 3.48Å; R3-K5 PolarHBondContact O-N 2.9Å | ||
| 4 | R | 63.9 | Low | 71.2 | Confident | 226 Ų | 226 | 146.9 Ų | 146.9 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 122.8 | 169.5 | -61.7 | -167.6 | -165.6 | -171.7 | 5.7 | 109 | D2 K6 | D2-R4 PolarHBondContact O-N 3.38Å; R4-K6 PolarHBondContact O-N 3.44Å |
| 5 | K | 71.6 | Confident | 72.2 | Confident | 204 Ų | 204 | 144.1 Ų | 144.1 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64 | 127.6 | 176 | -64.6 | -179.4 | -178.4 | 178.5 | 0 | 108.6 | R3 | R3-K5 PolarHBondContact O-N 2.9Š|
| 6 | K | 75 | Confident | 73.4 | Confident | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 129.4 | 174.9 | -63.7 | -178 | -179.1 | -178 | 0 | 108.6 | R4 L8 | R4-K6 PolarHBondContact O-N 3.44Å; K6-L8 PolarHBondContact O-N 3.05Å |
| 7 | P | 71.1 | Confident | 74.2 | Confident | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 128.9 | 171.3 | 26.5 | -31 | 0 | 0 | 0 | 108.8 | ||
| 8 | L | 73.4 | Confident | 75.1 | Confident | 158 Ų | 158 | 136.9 Ų | 136.9 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 117.2 | 173.1 | -69.7 | 165.9 | 0 | 0 | 0 | 107.4 | K6 V10 | K6-L8 PolarHBondContact O-N 3.05Å; L8-V10 WeakPolarHBondContact O-CG2 3.39Å; L8-V10 PolarHBondContact O-N 3.01Å |
| 9 | D | 71.7 | Confident | 76.1 | Confident | 160 Ų | 160 | 138.1 Ų | 138.1 | 86% | 0.856 | 70% | 0.704 | S | S | * | * | trans | -79.4 | 107.8 | 172.5 | -167.8 | 14.6 | 0 | 0 | 0 | 108.2 | ||||
| 10 | V | 80.3 | Confident | 76.9 | Confident | 82 Ų | 82 | 134 Ų | 134 | 50% | 0.497 | 69% | 0.692 | S | S | . | * | trans | -102.6 | 112.7 | -176 | -145.5 | 0 | 0 | 0 | 0 | 107.7 | L8 L15 | L8-V10 WeakPolarHBondContact O-CG2 3.39Å; L8-V10 PolarHBondContact O-N 3.01Å; V10-L15 HydrophobicContact CG1-CG 4.25Å | ||
| 11 | T | 83.3 | Confident | 77.6 | Confident | 78 Ų | 78 | 133.9 Ų | 133.9 | 48% | 0.479 | 69% | 0.688 | S | S | . | * | trans | -70.1 | 146 | 176.1 | 58.6 | 0 | 0 | 0 | 0 | 110.2 | S13 S14 L15 | T11-S13 PolarHBondContact O-N 3.31Å; T11-S13 VanDerWaalsContact O-N 3.14Å; T11-S13 PolarHBondContact OG1-OG 2.87Å; T11-S14 WeakPolarHBondContact O-CB 3.48Å; T11-S14 PolarHBondContact O-N 3.29Å; T11-S14 WeakPolarHBondContact OG1-CB 3.39Å; T11-L15 PolarHBondContact O-N 3.28Å | ||
| 12 | A | 82.8 | Confident | 80.1 | Confident | 80 Ų | 80 | 128.1 Ų | 128.1 | 66% | 0.661 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -57.5 | -31.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | L15 V16 | A12-L15 PolarHBondContact O-N 3.26Å; A12-V16 WeakPolarHBondContact O-CG2 3.49Å; A12-V16 PolarHBondContact O-N 3.45Å |
| 13 | S | 82.2 | Confident | 82.1 | Confident | 74 Ų | 74 | 126.4 Ų | 126.4 | 52% | 0.517 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67 | -39.6 | 173.9 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | T11 L15 V16 D17 | T11-S13 PolarHBondContact O-N 3.31Å; T11-S13 VanDerWaalsContact O-N 3.14Å; T11-S13 PolarHBondContact OG1-OG 2.87Å; S13-L15 VanDerWaalsContact C-N 3.28Å; S13-L15 PolarHBondContact O-N 2.92Å; S13-V16 PolarHBondContact O-N 3Å; S13-V16 VanDerWaalsContact O-N 3.11Å; S13-D17 PolarHBondContact O-N 3.23Å |
| 14 | S | 86 | Confident | 83.6 | Confident | 52 Ų | 52 | 123 Ų | 123 | 36% | 0.364 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.1 | -34 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | T11 L18 | T11-S14 WeakPolarHBondContact O-CB 3.48Å; T11-S14 PolarHBondContact O-N 3.29Å; T11-S14 WeakPolarHBondContact OG1-CB 3.39Å; S14-L18 VanDerWaalsContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CB 3.41Å; S14-L18 PolarHBondContact O-N 2.88Å |
| 15 | L | 87.1 | Confident | 85 | Confident | 106 Ų | 106 | 118 Ų | 118 | 56% | 0.555 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.2 | -37.3 | 173.1 | -88.8 | 161.7 | 0 | 0 | 0 | 112.7 | V10 T11 A12 S13 K19 | V10-L15 HydrophobicContact CG1-CG 4.25Å; T11-L15 PolarHBondContact O-N 3.28Å; A12-L15 PolarHBondContact O-N 3.26Å; S13-L15 VanDerWaalsContact C-N 3.28Å; S13-L15 PolarHBondContact O-N 2.92Å; L15-K19 VanDerWaalsContact O-CB 3.28Å; L15-K19 WeakPolarHBondContact O-CB 3.39Å; L15-K19 PolarHBondContact O-N 3.21Å |
| 16 | V | 90.7 | Very high | 86 | Confident | 95 Ų | 95 | 113.1 Ų | 113.1 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.6 | -42.7 | 176.7 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | A12 S13 K19 A20 | A12-V16 WeakPolarHBondContact O-CG2 3.49Å; A12-V16 PolarHBondContact O-N 3.45Å; S13-V16 PolarHBondContact O-N 3Å; S13-V16 VanDerWaalsContact O-N 3.11Å; V16-K19 WeakPolarHBondContact O-CB 3.38Å; V16-K19 PolarHBondContact O-N 3.43Å; V16-A20 WeakPolarHBondContact O-CB 3.41Å; V16-A20 PolarHBondContact O-N 2.91Å |
| 17 | D | 87.9 | Confident | 86.8 | Confident | 110 Ų | 110 | 108.6 Ų | 108.6 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.5 | -44.6 | 177.2 | -70.9 | -18.1 | 0 | 0 | 0 | 111.5 | S13 K19 A20 E21 | S13-D17 PolarHBondContact O-N 3.23Å; D17-K19 VanDerWaalsContact C-N 3.3Å; D17-K19 PolarHBondContact O-N 3.2Å; D17-A20 WeakPolarHBondContact O-CB 3.46Å; D17-A20 PolarHBondContact O-N 2.86Å; D17-A20 VanDerWaalsContact O-N 3.15Å; D17-E21 WeakPolarHBondContact O-CB 3.4Å; D17-E21 PolarHBondContact O-N 3Å |
| 18 | L | 90.3 | Very high | 87.6 | Confident | 97 Ų | 97 | 106.6 Ų | 106.6 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64 | -38.1 | 176.7 | -166.9 | 150.9 | 0 | 0 | 0 | 111.2 | S14 E21 L22 | S14-L18 VanDerWaalsContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CB 3.41Å; S14-L18 PolarHBondContact O-N 2.88Å; L18-E21 PolarHBondContact O-N 2.84Å; L18-L22 HydrophobicContact CD2-CD1 3.58Å; L18-L22 HydrophobicContact CD2-CG 4.04Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 2.88Å |
| 19 | K | 93.3 | Very high | 88.3 | Confident | 159 Ų | 159 | 105.3 Ų | 105.3 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.6 | -40.2 | 173.7 | -175 | 176.8 | -179.1 | 179 | 0 | 111.7 | L15 V16 D17 F23 | L15-K19 VanDerWaalsContact O-CB 3.28Å; L15-K19 WeakPolarHBondContact O-CB 3.39Å; L15-K19 PolarHBondContact O-N 3.21Å; V16-K19 WeakPolarHBondContact O-CB 3.38Å; V16-K19 PolarHBondContact O-N 3.43Å; D17-K19 VanDerWaalsContact C-N 3.3Å; D17-K19 PolarHBondContact O-N 3.2Å; K19-F23 WeakPolarHBondContact O-CB 3.31Å; K19-F23 PolarHBondContact O-N 3.43Å |
| 20 | A | 92.6 | Very high | 89.1 | Confident | 57 Ų | 57 | 103 Ų | 103 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V16 D17 F23 R24 | V16-A20 WeakPolarHBondContact O-CB 3.41Å; V16-A20 PolarHBondContact O-N 2.91Å; D17-A20 WeakPolarHBondContact O-CB 3.46Å; D17-A20 PolarHBondContact O-N 2.86Å; D17-A20 VanDerWaalsContact O-N 3.15Å; A20-F23 PolarHBondContact O-N 3.43Å; A20-R24 WeakPolarHBondContact O-CB 3.25Å; A20-R24 PolarHBondContact O-N 3.24Å |
| 21 | E | 91.7 | Very high | 89.2 | Confident | 132 Ų | 132 | 105.4 Ų | 105.4 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.4 | -41.2 | 178.2 | -162.6 | 172 | -163.2 | 0 | 0 | 111.9 | D17 L18 F23 R24 K25 | D17-E21 WeakPolarHBondContact O-CB 3.4Å; D17-E21 PolarHBondContact O-N 3Å; L18-E21 PolarHBondContact O-N 2.84Å; E21-F23 VanDerWaalsContact C-N 3.34Å; E21-F23 PolarHBondContact O-N 3.39Å; E21-R24 PolarHBondContact O-N 3.01Å; E21-K25 WeakPolarHBondContact O-CB 3.42Å; E21-K25 WeakPolarHBondContact O-CG 3.22Å; E21-K25 PolarHBondContact O-N 3.28Å |
| 22 | L | 94.6 | Very high | 89 | Confident | 111 Ų | 111 | 106.4 Ų | 106.4 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 171.3 | -78.9 | 178.4 | 0 | 0 | 0 | 112.1 | L18 K25 Q26 | L18-L22 HydrophobicContact CD2-CD1 3.58Å; L18-L22 HydrophobicContact CD2-CG 4.04Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 2.88Å; L22-K25 PolarHBondContact O-N 3.4Å; L22-Q26 WeakPolarHBondContact O-CB 3.38Å; L22-Q26 PolarHBondContact O-N 2.8Å |
| 23 | F | 93.4 | Very high | 88.9 | Confident | 113 Ų | 113 | 108.1 Ų | 108.1 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 178.7 | -167.5 | -95.3 | 0 | 0 | 0 | 111.4 | K19 A20 E21 K25 Q26 E27 | K19-F23 WeakPolarHBondContact O-CB 3.31Å; K19-F23 PolarHBondContact O-N 3.43Å; A20-F23 PolarHBondContact O-N 3.43Å; E21-F23 VanDerWaalsContact C-N 3.34Å; E21-F23 PolarHBondContact O-N 3.39Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.46Å; F23-Q26 WeakPolarHBondContact O-CB 3.47Å; F23-Q26 PolarHBondContact O-N 2.99Å; F23-Q26 VanDerWaalsContact O-N 3.13Å; F23-E27 HydrophobicContact CD1-CG 4.24Å; F23-E27 HydrophobicContact CE1-CG 3.96Å; F23-E27 WeakPolarHBondContact CE1-OE1 3.38Å; F23-E27 PolarHBondContact O-N 3.12Å |
| 24 | R | 92.9 | Very high | 88.4 | Confident | 173 Ų | 173 | 110.5 Ų | 110.5 | 65% | 0.653 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.5 | -43.7 | 174.9 | -166.1 | 176.9 | -176.6 | 164.6 | 4 | 111.7 | A20 E21 Q26 E27 E28 | A20-R24 WeakPolarHBondContact O-CB 3.25Å; A20-R24 PolarHBondContact O-N 3.24Å; E21-R24 PolarHBondContact O-N 3.01Å; R24-Q26 VanDerWaalsContact C-N 3.33Å; R24-Q26 PolarHBondContact O-N 3.38Å; R24-E27 PolarHBondContact O-N 3.41Å; R24-E28 WeakPolarHBondContact O-CG 3.49Å; R24-E28 PolarHBondContact O-N 3.36Å |
| 25 | K | 94 | Very high | 87.5 | Confident | 120 Ų | 120 | 113.7 Ų | 113.7 | 52% | 0.522 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.8 | -35 | 175.2 | -74.2 | -73.7 | 162.9 | -156 | 0 | 112.9 | E21 L22 F23 E28 F29 | E21-K25 WeakPolarHBondContact O-CB 3.42Å; E21-K25 WeakPolarHBondContact O-CG 3.22Å; E21-K25 PolarHBondContact O-N 3.28Å; L22-K25 PolarHBondContact O-N 3.4Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.46Å; K25-E28 WeakPolarHBondContact CD-OE2 3.47Å; K25-E28 WeakPolarHBondContact CE-OE2 3.4Å; K25-E28 IonicContact NZ-OE1 3.36Å; K25-E28 IonicContact NZ-OE2 3.73Å; K25-E28 PolarHBondContact NZ-OE2 2.9Å; K25-F29 WeakPolarHBondContact O-CB 3.31Å; K25-F29 PolarHBondContact O-N 3.42Å |
| 26 | Q | 92.4 | Very high | 86.5 | Confident | 102 Ų | 102 | 114.3 Ų | 114.3 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 175.3 | -168.3 | -178.8 | -0.7 | 0 | 0 | 111.7 | L22 F23 R24 F29 K30 | L22-Q26 WeakPolarHBondContact O-CB 3.38Å; L22-Q26 PolarHBondContact O-N 2.8Å; F23-Q26 WeakPolarHBondContact O-CB 3.47Å; F23-Q26 PolarHBondContact O-N 2.99Å; F23-Q26 VanDerWaalsContact O-N 3.13Å; R24-Q26 VanDerWaalsContact C-N 3.33Å; R24-Q26 PolarHBondContact O-N 3.38Å; Q26-F29 PolarHBondContact O-N 2.89Å; Q26-K30 WeakPolarHBondContact O-CG 3.39Å; Q26-K30 PolarHBondContact O-N 3.45Å |
| 27 | E | 90.2 | Very high | 85.1 | Confident | 95 Ų | 95 | 115.3 Ų | 115.3 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 172.4 | -75.3 | -171.9 | 153.3 | 0 | 0 | 112 | F23 R24 F29 K30 Q31 | F23-E27 HydrophobicContact CD1-CG 4.24Å; F23-E27 HydrophobicContact CE1-CG 3.96Å; F23-E27 WeakPolarHBondContact CE1-OE1 3.38Å; F23-E27 PolarHBondContact O-N 3.12Å; R24-E27 PolarHBondContact O-N 3.41Å; E27-F29 VanDerWaalsContact C-N 3.28Å; E27-F29 PolarHBondContact O-N 3Å; E27-K30 PolarHBondContact O-N 3.29Å; E27-K30 VanDerWaalsContact O-N 3.15Å; E27-Q31 WeakPolarHBondContact O-CG 3.38Å; E27-Q31 PolarHBondContact O-N 3.49Å |
| 28 | E | 88.9 | Confident | 83.7 | Confident | 84 Ų | 84 | 113.9 Ų | 113.9 | 39% | 0.393 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -55.3 | -45.4 | 173 | -74.6 | 172.3 | -167.9 | 0 | 0 | 111 | R24 K25 K30 Q31 E32 | R24-E28 WeakPolarHBondContact O-CG 3.49Å; R24-E28 PolarHBondContact O-N 3.36Å; K25-E28 WeakPolarHBondContact CD-OE2 3.47Å; K25-E28 WeakPolarHBondContact CE-OE2 3.4Å; K25-E28 IonicContact NZ-OE1 3.36Å; K25-E28 IonicContact NZ-OE2 3.73Å; K25-E28 PolarHBondContact NZ-OE2 2.9Å; E28-K30 PolarHBondContact O-N 3.46Å; E28-Q31 PolarHBondContact O-N 2.79Å; E28-E32 WeakPolarHBondContact O-CB 3.41Å; E28-E32 PolarHBondContact O-N 2.8Å |
| 29 | F | 88.3 | Confident | 82 | Confident | 132 Ų | 132 | 112 Ų | 112 | 58% | 0.579 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -38.8 | 177.4 | -176.8 | -98 | 0 | 0 | 0 | 112.7 | K25 Q26 E27 E32 K33 | K25-F29 WeakPolarHBondContact O-CB 3.31Å; K25-F29 PolarHBondContact O-N 3.42Å; Q26-F29 PolarHBondContact O-N 2.89Å; E27-F29 VanDerWaalsContact C-N 3.28Å; E27-F29 PolarHBondContact O-N 3Å; F29-E32 PolarHBondContact O-N 3.46Å; F29-K33 VanDerWaalsContact O-CB 3.26Å; F29-K33 WeakPolarHBondContact O-CB 3.26Å; F29-K33 PolarHBondContact O-N 3.38Å |
| 30 | K | 88.2 | Confident | 80 | Confident | 110 Ų | 110 | 109.3 Ų | 109.3 | 48% | 0.478 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.7 | -77 | 174 | -178.6 | 175.9 | 0 | 111.4 | Q26 E27 E28 K33 L34 | Q26-K30 WeakPolarHBondContact O-CG 3.39Å; Q26-K30 PolarHBondContact O-N 3.45Å; E27-K30 PolarHBondContact O-N 3.29Å; E27-K30 VanDerWaalsContact O-N 3.15Å; E28-K30 PolarHBondContact O-N 3.46Å; K30-K33 PolarHBondContact O-N 2.8Å; K30-L34 WeakPolarHBondContact O-CG 3.46Å; K30-L34 PolarHBondContact O-N 3.44Å |
| 31 | Q | 82.1 | Confident | 77.8 | Confident | 134 Ų | 134 | 116.1 Ų | 116.1 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.2 | -44.1 | 175 | -72.1 | -167.6 | 6 | 0 | 0 | 111.4 | E27 E28 K33 L34 L35 | E27-Q31 WeakPolarHBondContact O-CG 3.38Å; E27-Q31 PolarHBondContact O-N 3.49Å; E28-Q31 PolarHBondContact O-N 2.79Å; Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 2.86Å; Q31-L34 PolarHBondContact O-N 3.43Å; Q31-L35 WeakPolarHBondContact O-CB 3.22Å; Q31-L35 PolarHBondContact O-N 3.13Å |
| 32 | E | 79.6 | Confident | 75.8 | Confident | 99 Ų | 99 | 112.3 Ų | 112.3 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.5 | -37.7 | 176.3 | -163.4 | -166.2 | 150.4 | 0 | 0 | 111.5 | E28 F29 L35 K36 | E28-E32 WeakPolarHBondContact O-CB 3.41Å; E28-E32 PolarHBondContact O-N 2.8Å; F29-E32 PolarHBondContact O-N 3.46Å; E32-L35 WeakPolarHBondContact O-CB 3.32Å; E32-L35 PolarHBondContact O-N 3.41Å; E32-K36 WeakPolarHBondContact O-CB 3.13Å; E32-K36 PolarHBondContact O-N 3.02Å; E32-K36 IonicContact OE1-NZ 3.99Å; E32-K36 PolarHBondContact OE1-NZ 2.98Å |
| 33 | K | 81.4 | Confident | 73.9 | Confident | 115 Ų | 115 | 116.8 Ų | 116.8 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.7 | -44.7 | 174.2 | -170.9 | -177.8 | 176.7 | -173.3 | 0 | 111.7 | F29 K30 Q31 L35 K36 D37 | F29-K33 VanDerWaalsContact O-CB 3.26Å; F29-K33 WeakPolarHBondContact O-CB 3.26Å; F29-K33 PolarHBondContact O-N 3.38Å; K30-K33 PolarHBondContact O-N 2.8Å; Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 2.86Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 3.37Å; K33-K36 PolarHBondContact O-N 3.25Å; K33-K36 VanDerWaalsContact O-N 3.15Å; K33-D37 WeakPolarHBondContact CE-OD2 3.23Å; K33-D37 WeakPolarHBondContact O-CB 3.45Å; K33-D37 PolarHBondContact O-N 3.48Å |
| 34 | L | 70.9 | Confident | 71.7 | Confident | 125 Ų | 125 | 117 Ų | 117 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.2 | -39.3 | 173.9 | -73 | 174 | 0 | 0 | 0 | 111.8 | K30 Q31 K36 D37 S38 | K30-L34 WeakPolarHBondContact O-CG 3.46Å; K30-L34 PolarHBondContact O-N 3.44Å; Q31-L34 PolarHBondContact O-N 3.43Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-D37 PolarHBondContact O-N 3.16Å; L34-S38 WeakPolarHBondContact O-CB 3.43Å; L34-S38 PolarHBondContact O-N 2.9Å; L34-S38 VanDerWaalsContact O-N 3.09Å |
| 35 | L | 66.4 | Low | 69.7 | Low | 119 Ų | 119 | 118.1 Ų | 118.1 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.3 | -40.7 | 173.6 | -117.6 | 125.4 | 0 | 0 | 0 | 111.8 | Q31 E32 K33 S38 | Q31-L35 WeakPolarHBondContact O-CB 3.22Å; Q31-L35 PolarHBondContact O-N 3.13Å; E32-L35 WeakPolarHBondContact O-CB 3.32Å; E32-L35 PolarHBondContact O-N 3.41Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 3.37Å; L35-S38 PolarHBondContact O-OG 3.07Å |
| 36 | K | 66.1 | Low | 67.6 | Low | 119 Ų | 119 | 118.6 Ų | 118.6 | 52% | 0.517 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.5 | -38.1 | 175.8 | -87.3 | 167.7 | 173 | 156.2 | 0 | 113.5 | E32 K33 L34 S38 | E32-K36 WeakPolarHBondContact O-CB 3.13Å; E32-K36 PolarHBondContact O-N 3.02Å; E32-K36 IonicContact OE1-NZ 3.99Å; E32-K36 PolarHBondContact OE1-NZ 2.98Å; K33-K36 PolarHBondContact O-N 3.25Å; K33-K36 VanDerWaalsContact O-N 3.15Å; L34-K36 VanDerWaalsContact C-N 3.35Å; K36-S38 VanDerWaalsContact C-N 3.3Å; K36-S38 PolarHBondContact O-N 2.94Å |
| 37 | D | 61.9 | Low | 65.7 | Low | 115 Ų | 115 | 118.4 Ų | 118.4 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.7 | -17.9 | -179.3 | -71.6 | -16.1 | 0 | 0 | 0 | 112.1 | K33 L34 G39 | K33-D37 WeakPolarHBondContact CE-OD2 3.23Å; K33-D37 WeakPolarHBondContact O-CB 3.45Å; K33-D37 PolarHBondContact O-N 3.48Å; L34-D37 PolarHBondContact O-N 3.16Å; D37-G39 PolarHBondContact O-N 3.34Å; D37-G39 VanDerWaalsContact O-N 3.12Å |
| 38 | S | 58.1 | Low | 64.1 | Low | 81 Ų | 81 | 121.8 Ų | 121.8 | 57% | 0.566 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 13.8 | 173.9 | 73.3 | 0 | 0 | 0 | 0 | 115.6 | L34 L35 K36 V40 | L34-S38 WeakPolarHBondContact O-CB 3.43Å; L34-S38 PolarHBondContact O-N 2.9Å; L34-S38 VanDerWaalsContact O-N 3.09Å; L35-S38 PolarHBondContact O-OG 3.07Å; K36-S38 VanDerWaalsContact C-N 3.3Å; K36-S38 PolarHBondContact O-N 2.94Å; S38-V40 VanDerWaalsContact C-N 3.29Å; S38-V40 PolarHBondContact O-N 3.18Å |
| 39 | G | 54.3 | Low | 63 | Low | 58 Ų | 58 | 126.2 Ų | 126.2 | 60% | 0.598 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.9 | 7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D37 F41 | D37-G39 PolarHBondContact O-N 3.34Å; D37-G39 VanDerWaalsContact O-N 3.12Å; G39-F41 PolarHBondContact O-N 3.43Å |
| 40 | V | 51.2 | Low | 62 | Low | 102 Ų | 102 | 129.3 Ų | 129.3 | 62% | 0.618 | 67% | 0.671 | S | S | * | * | trans | -85.2 | 94.7 | 168.8 | -175 | 0 | 0 | 0 | 0 | 107.6 | S38 G42 | S38-V40 VanDerWaalsContact C-N 3.29Å; S38-V40 PolarHBondContact O-N 3.18Å; V40-G42 PolarHBondContact O-N 3.11Å | ||
| 41 | F | 47 | Very low | 60.9 | Low | 200 Ų | 200 | 128.3 Ų | 128.3 | 88% | 0.877 | 68% | 0.676 | S | S | * | * | trans | -39.8 | 123.4 | 172 | -88.1 | -94.2 | 0 | 0 | 0 | 110.8 | G39 K43 | G39-F41 PolarHBondContact O-N 3.43Å; F41-K43 PolarHBondContact O-N 2.95Å | ||
| 42 | G | 49.2 | Very low | 60.4 | Low | 51 Ų | 51 | 125.5 Ų | 125.5 | 53% | 0.526 | 67% | 0.671 | S | S | . | * | trans | -50.7 | 138.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V40 P44 | V40-G42 PolarHBondContact O-N 3.11Å; G42-P44 VanDerWaalsContact O-N 3.14Å | ||
| 43 | K | 54.6 | Low | 59.7 | Low | 206 Ų | 206 | 127.6 Ų | 127.6 | 90% | 0.896 | 68% | 0.684 | S | S | * | * | trans | -43.8 | 123.7 | 165.5 | -66.2 | -177.6 | 178.3 | -179 | 0 | 108.1 | F41 K45 | F41-K43 PolarHBondContact O-N 2.95Å; K43-K45 PolarHBondContact O-N 3.49Å | ||
| 44 | P | 49 | Very low | 59 | Low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | trans | -59.3 | 131.1 | 179 | 22.8 | -31.1 | 0 | 0 | 0 | 108.1 | G42 T46 | G42-P44 VanDerWaalsContact O-N 3.14Å; P44-T46 PolarHBondContact O-N 2.97Å | ||
| 45 | K | 50.9 | Low | 59 | Low | 195 Ų | 195 | 131.7 Ų | 131.7 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | trans | -41.3 | 128.4 | 162.8 | -71.3 | 176.6 | 178.6 | 176.7 | 0 | 107.5 | K43 T47 | K43-K45 PolarHBondContact O-N 3.49Å; K45-T47 PolarHBondContact O-N 3.42Å | ||
| 46 | T | 50.1 | Low | 59.4 | Low | 130 Ų | 130 | 132.8 Ų | 132.8 | 80% | 0.798 | 70% | 0.699 | S | S | * | * | trans | -63.4 | 82.1 | 178.4 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | P44 N48 | P44-T46 PolarHBondContact O-N 2.97Å; T46-N48 PolarHBondContact O-N 3.44Å | ||
| 47 | T | 51.2 | Low | 59.8 | Low | 98 Ų | 98 | 132.7 Ų | 132.7 | 60% | 0.601 | 70% | 0.701 | S | S | * | * | trans | -68 | 119.6 | 157.6 | 65.8 | 0 | 0 | 0 | 0 | 104.7 | K45 K49 | K45-T47 PolarHBondContact O-N 3.42Å; T47-K49 PolarHBondContact O-N 2.84Å | ||
| 48 | N | 56 | Low | 60.6 | Low | 166 Ų | 166 | 133.5 Ų | 133.5 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | trans | -59 | 77.7 | 175.2 | -68.5 | -60.5 | 0 | 0 | 0 | 110.5 | T46 | T46-N48 PolarHBondContact O-N 3.44Š| ||
| 49 | K | 66.1 | Low | 61.8 | Low | 177 Ų | 177 | 137 Ų | 137 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 121.3 | 166.2 | -67.4 | -168.5 | -178.7 | -174.8 | 0 | 105.8 | T47 | T47-K49 PolarHBondContact O-N 2.84Š|
| 50 | K | 68.4 | Low | 63.2 | Low | 197 Ų | 197 | 135.9 Ų | 135.9 | 86% | 0.857 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 131.4 | 173.3 | -62.4 | 173.5 | -177.8 | 177.8 | 0 | 107.9 | S52 | K50-S52 PolarHBondContact O-N 2.81Š|
| 51 | P | 64.3 | Low | 64.9 | Low | 90 Ų | 90 | 134.2 Ų | 134.2 | 58% | 0.584 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 128.4 | -179.6 | 22.6 | -32 | 0 | 0 | 0 | 108.8 | I53 | P51-I53 PolarHBondContact O-N 2.84Š|
| 52 | S | 72.4 | Confident | 66.7 | Low | 74 Ų | 74 | 127.6 Ų | 127.6 | 52% | 0.517 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -52.7 | 139.7 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | K50 W54 S55 | K50-S52 PolarHBondContact O-N 2.81Å; S52-W54 PolarHBondContact O-N 3.29Å; S52-W54 VanDerWaalsContact O-N 3.08Å; S52-S55 WeakPolarHBondContact CB-OG 3.35Å; S52-S55 PolarHBondContact N-OG 2.91Å; S52-S55 VanDerWaalsContact N-OG 3.1Å; S52-S55 PolarHBondContact O-N 3.35Å; S52-S55 PolarHBondContact O-OG 2.84Å |
| 53 | I | 64.1 | Low | 68.6 | Low | 144 Ų | 144 | 130.6 Ų | 130.6 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -58.3 | -26.6 | -179.5 | -61.5 | 164.4 | 0 | 0 | 0 | 110.5 | P51 | P51-I53 PolarHBondContact O-N 2.84Š|
| 54 | W | 67.4 | Low | 70.3 | Confident | 247 Ų | 247 | 129.2 Ų | 129.2 | 94% | 0.936 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -78.8 | -16.8 | 174.4 | -113.2 | -87.6 | 0 | 0 | 0 | 115.4 | S52 | S52-W54 PolarHBondContact O-N 3.29Å; S52-W54 VanDerWaalsContact O-N 3.08Å |
| 55 | S | 70.6 | Confident | 72.3 | Confident | 78 Ų | 78 | 126.2 Ų | 126.2 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -93.2 | -0.9 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | S52 Q57 | S52-S55 WeakPolarHBondContact CB-OG 3.35Å; S52-S55 PolarHBondContact N-OG 2.91Å; S52-S55 VanDerWaalsContact N-OG 3.1Å; S52-S55 PolarHBondContact O-N 3.35Å; S52-S55 PolarHBondContact O-OG 2.84Å; S55-Q57 PolarHBondContact O-N 3.49Å |
| 56 | K | 73.8 | Confident | 74.2 | Confident | 143 Ų | 143 | 122.5 Ų | 122.5 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | trans | -78.8 | 99.7 | 172.4 | -74.6 | -176.7 | 178.6 | -176.8 | 0 | 108.2 | ||||
| 57 | Q | 75.1 | Confident | 76.2 | Confident | 117 Ų | 117 | 123.2 Ų | 123.2 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 140.2 | 168.8 | -171.1 | 177.1 | -13.8 | 0 | 0 | 109.4 | S55 V59 V61 S62 | S55-Q57 PolarHBondContact O-N 3.49Å; Q57-V59 PolarHBondContact O-N 3.11Å; Q57-V61 HydrophobicContact CG-CB 4.03Å; Q57-V61 HydrophobicContact CG-CG1 4.35Å; Q57-V61 VanDerWaalsContact NE2-CG1 3.3Å; Q57-S62 PolarHBondContact NE2-OG 3.46Å; Q57-S62 PolarHBondContact OE1-OG 3.43Å |
| 58 | N | 79.3 | Confident | 78.2 | Confident | 131 Ų | 131 | 122.2 Ų | 122.2 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135 | 176.7 | -72.5 | -29.8 | 0 | 0 | 0 | 110.1 | G60 V61 | N58-G60 PolarHBondContact O-N 3.01Å; N58-V61 HydrophobicContact CB-CG2 3.67Å; N58-V61 WeakPolarHBondContact O-CG2 3.27Å; N58-V61 PolarHBondContact O-N 3.01Å; N58-V61 VanDerWaalsContact O-N 3.16Å |
| 59 | V | 82.3 | Confident | 79.9 | Confident | 156 Ų | 156 | 116.6 Ų | 116.6 | 95% | 0.945 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 125.3 | 179.5 | -179 | 0 | 0 | 0 | 0 | 108.9 | Q57 | Q57-V59 PolarHBondContact O-N 3.11Š|
| 60 | G | 83.8 | Confident | 81.2 | Confident | 34 Ų | 34 | 113.1 Ų | 113.1 | 35% | 0.351 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 93.6 | -6.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N58 R64 | N58-G60 PolarHBondContact O-N 3.01Å; G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 PolarHBondContact O-N 2.98Å |
| 61 | V | 86.4 | Confident | 82.3 | Confident | 66 Ų | 66 | 108.4 Ų | 108.4 | 40% | 0.4 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.5 | -40 | 175.1 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | Q57 N58 R64 A65 | Q57-V61 HydrophobicContact CG-CB 4.03Å; Q57-V61 HydrophobicContact CG-CG1 4.35Å; Q57-V61 VanDerWaalsContact NE2-CG1 3.3Å; N58-V61 HydrophobicContact CB-CG2 3.67Å; N58-V61 WeakPolarHBondContact O-CG2 3.27Å; N58-V61 PolarHBondContact O-N 3.01Å; N58-V61 VanDerWaalsContact O-N 3.16Å; V61-R64 PolarHBondContact O-N 3.43Å; V61-A65 WeakPolarHBondContact O-CB 3.43Å; V61-A65 PolarHBondContact O-N 3.29Å |
| 62 | S | 86.8 | Confident | 83.7 | Confident | 62 Ų | 62 | 111 Ų | 111 | 43% | 0.434 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.1 | -44.7 | 176.5 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | Q57 R64 A65 E66 | Q57-S62 PolarHBondContact NE2-OG 3.46Å; Q57-S62 PolarHBondContact OE1-OG 3.43Å; S62-R64 VanDerWaalsContact C-N 3.32Å; S62-R64 PolarHBondContact O-N 2.98Å; S62-A65 PolarHBondContact O-N 3.29Å; S62-E66 WeakPolarHBondContact O-CB 3.29Å; S62-E66 PolarHBondContact O-N 2.9Å |
| 63 | N | 88.4 | Confident | 84.8 | Confident | 113 Ų | 113 | 112 Ų | 112 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.9 | -36.5 | 178.1 | -61.9 | -1.6 | 0 | 0 | 0 | 111.7 | K67 | N63-K67 WeakPolarHBondContact O-CB 3.5Å; N63-K67 PolarHBondContact O-N 3.25Å |
| 64 | R | 89.8 | Confident | 86.1 | Confident | 178 Ų | 178 | 111.1 Ų | 111.1 | 67% | 0.672 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -44.3 | 174 | -170.3 | -179.2 | -60.3 | -179.7 | -0.3 | 111.3 | G60 V61 S62 E66 K67 D68 | G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 PolarHBondContact O-N 2.98Å; V61-R64 PolarHBondContact O-N 3.43Å; S62-R64 VanDerWaalsContact C-N 3.32Å; S62-R64 PolarHBondContact O-N 2.98Å; R64-E66 VanDerWaalsContact C-N 3.33Å; R64-E66 PolarHBondContact O-N 2.97Å; R64-K67 PolarHBondContact O-N 2.99Å; R64-D68 WeakPolarHBondContact O-CB 3.43Å; R64-D68 PolarHBondContact O-N 3.16Å |
| 65 | A | 92.1 | Very high | 87.5 | Confident | 55 Ų | 55 | 104.1 Ų | 104.1 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V61 S62 A69 | V61-A65 WeakPolarHBondContact O-CB 3.43Å; V61-A65 PolarHBondContact O-N 3.29Å; S62-A65 PolarHBondContact O-N 3.29Å; A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 2.78Å |
| 66 | E | 90.1 | Very high | 88.6 | Confident | 116 Ų | 116 | 105 Ų | 105 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 173.3 | -175.1 | 171.7 | -157.1 | 0 | 0 | 110.8 | S62 R64 D68 A69 E70 | S62-E66 WeakPolarHBondContact O-CB 3.29Å; S62-E66 PolarHBondContact O-N 2.9Å; R64-E66 VanDerWaalsContact C-N 3.33Å; R64-E66 PolarHBondContact O-N 2.97Å; E66-D68 PolarHBondContact O-N 2.86Å; E66-A69 WeakPolarHBondContact O-CB 3.33Å; E66-A69 PolarHBondContact O-N 3.47Å; E66-A69 VanDerWaalsContact O-N 3.13Å; E66-E70 WeakPolarHBondContact O-CG 3.42Å; E66-E70 PolarHBondContact O-N 3.11Å |
| 67 | K | 91.1 | Very high | 89.7 | Confident | 145 Ų | 145 | 104 Ų | 104 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 176.2 | -169 | 175.2 | -178.3 | 178 | 0 | 112.9 | N63 R64 A69 E70 Q71 | N63-K67 WeakPolarHBondContact O-CB 3.5Å; N63-K67 PolarHBondContact O-N 3.25Å; R64-K67 PolarHBondContact O-N 2.99Å; K67-A69 VanDerWaalsContact C-N 3.29Å; K67-A69 PolarHBondContact O-N 3.23Å; K67-E70 PolarHBondContact O-N 3.15Å; K67-Q71 WeakPolarHBondContact O-CB 3.43Å; K67-Q71 PolarHBondContact O-N 3.3Å |
| 68 | D | 93.4 | Very high | 90.7 | Very high | 78 Ų | 78 | 102.7 Ų | 102.7 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 175.7 | -67.1 | -16.2 | 0 | 0 | 0 | 111.2 | R64 E66 K72 | R64-D68 WeakPolarHBondContact O-CB 3.43Å; R64-D68 PolarHBondContact O-N 3.16Å; E66-D68 PolarHBondContact O-N 2.86Å; D68-K72 WeakPolarHBondContact O-CG 3.32Å; D68-K72 PolarHBondContact O-N 2.92Å; D68-K72 VanDerWaalsContact O-N 3.11Å |
| 69 | A | 93.1 | Very high | 91.4 | Very high | 48 Ų | 48 | 101.6 Ų | 101.6 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.7 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A65 E66 K67 K72 I73 | A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 2.78Å; E66-A69 WeakPolarHBondContact O-CB 3.33Å; E66-A69 PolarHBondContact O-N 3.47Å; E66-A69 VanDerWaalsContact O-N 3.13Å; K67-A69 VanDerWaalsContact C-N 3.29Å; K67-A69 PolarHBondContact O-N 3.23Å; A69-K72 PolarHBondContact O-N 3.38Å; A69-I73 WeakPolarHBondContact O-CD1 3.41Å; A69-I73 VanDerWaalsContact O-CG1 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.24Å |
| 70 | E | 92.1 | Very high | 92.1 | Very high | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 173.8 | -72.6 | 178.3 | 167.5 | 0 | 0 | 111.3 | E66 K67 K72 I73 E74 | E66-E70 WeakPolarHBondContact O-CG 3.42Å; E66-E70 PolarHBondContact O-N 3.11Å; K67-E70 PolarHBondContact O-N 3.15Å; E70-K72 PolarHBondContact O-N 2.95Å; E70-I73 WeakPolarHBondContact O-CB 3.36Å; E70-I73 PolarHBondContact O-N 2.89Å; E70-I73 VanDerWaalsContact O-N 3.11Å; E70-E74 WeakPolarHBondContact O-CG 3.44Å; E70-E74 PolarHBondContact O-N 3.14Å |
| 71 | Q | 92.1 | Very high | 92.7 | Very high | 98 Ų | 98 | 102.5 Ų | 102.5 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 177.7 | -174.7 | 177.8 | -8.3 | 0 | 0 | 111.8 | K67 I73 E74 E75 | K67-Q71 WeakPolarHBondContact O-CB 3.43Å; K67-Q71 PolarHBondContact O-N 3.3Å; Q71-I73 VanDerWaalsContact C-N 3.29Å; Q71-I73 PolarHBondContact O-N 3.19Å; Q71-E74 PolarHBondContact O-N 3.01Å; Q71-E75 HydrophobicContact CG-CG 4.45Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.42Å; Q71-E75 PolarHBondContact NE2-OE1 3.42Å; Q71-E75 WeakPolarHBondContact O-CB 3.29Å; Q71-E75 WeakPolarHBondContact O-CG 3.36Å; Q71-E75 PolarHBondContact O-N 3.38Å |
| 72 | K | 93.8 | Very high | 93.2 | Very high | 146 Ų | 146 | 101.7 Ų | 101.7 | 64% | 0.635 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -36.8 | 175.7 | -76.9 | 177.3 | -179.4 | -178.6 | 0 | 112.7 | D68 A69 E70 Q76 | D68-K72 WeakPolarHBondContact O-CG 3.32Å; D68-K72 PolarHBondContact O-N 2.92Å; D68-K72 VanDerWaalsContact O-N 3.11Å; A69-K72 PolarHBondContact O-N 3.38Å; E70-K72 PolarHBondContact O-N 2.95Å; K72-Q76 WeakPolarHBondContact O-CB 3.34Å; K72-Q76 PolarHBondContact O-N 3.33Å |
| 73 | I | 94.5 | Very high | 93.7 | Very high | 94 Ų | 94 | 107.3 Ų | 107.3 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 177.1 | -67.4 | 161.8 | 0 | 0 | 0 | 110.6 | A69 E70 Q71 K77 | A69-I73 WeakPolarHBondContact O-CD1 3.41Å; A69-I73 VanDerWaalsContact O-CG1 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.24Å; E70-I73 WeakPolarHBondContact O-CB 3.36Å; E70-I73 PolarHBondContact O-N 2.89Å; E70-I73 VanDerWaalsContact O-N 3.11Å; Q71-I73 VanDerWaalsContact C-N 3.29Å; Q71-I73 PolarHBondContact O-N 3.19Å; I73-K77 HydrophobicContact CG2-CD 4.27Å; I73-K77 VanDerWaalsContact O-CG 3.27Å; I73-K77 WeakPolarHBondContact O-CG 3.45Å; I73-K77 PolarHBondContact O-N 3.47Å |
| 74 | E | 93.1 | Very high | 94.1 | Very high | 125 Ų | 125 | 107.3 Ų | 107.3 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | 176.2 | -70.6 | -176.3 | 174.7 | 0 | 0 | 112.6 | E70 Q71 K77 T78 | E70-E74 WeakPolarHBondContact O-CG 3.44Å; E70-E74 PolarHBondContact O-N 3.14Å; Q71-E74 PolarHBondContact O-N 3.01Å; E74-K77 PolarHBondContact O-N 2.65Å; E74-T78 PolarHBondContact O-N 3.42Å; E74-T78 PolarHBondContact O-OG1 3.42Å |
| 75 | E | 95.3 | Very high | 94.5 | Very high | 100 Ų | 100 | 105.9 Ų | 105.9 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 173.7 | -74.3 | 174.1 | -171 | 0 | 0 | 110.7 | Q71 K77 T78 L79 | Q71-E75 HydrophobicContact CG-CG 4.45Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.42Å; Q71-E75 PolarHBondContact NE2-OE1 3.42Å; Q71-E75 WeakPolarHBondContact O-CB 3.29Å; Q71-E75 WeakPolarHBondContact O-CG 3.36Å; Q71-E75 PolarHBondContact O-N 3.38Å; E75-K77 PolarHBondContact O-N 2.94Å; E75-T78 WeakPolarHBondContact O-CA 3.4Å; E75-T78 WeakPolarHBondContact O-CB 3.45Å; E75-T78 PolarHBondContact O-N 3.21Å; E75-L79 WeakPolarHBondContact O-CG 3.49Å; E75-L79 PolarHBondContact O-N 3.27Å |
| 76 | Q | 95 | Very high | 94.7 | Very high | 98 Ų | 98 | 109 Ų | 109 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 177.4 | -170.5 | 61.7 | 38.6 | 0 | 0 | 111.9 | K72 T78 L79 D80 | K72-Q76 WeakPolarHBondContact O-CB 3.34Å; K72-Q76 PolarHBondContact O-N 3.33Å; Q76-T78 PolarHBondContact O-N 3.21Å; Q76-L79 PolarHBondContact O-N 3.04Å; Q76-D80 PolarHBondContact NE2-OD1 2.84Å; Q76-D80 WeakPolarHBondContact O-CB 3.47Å; Q76-D80 PolarHBondContact O-N 3.12Å |
| 77 | K | 96.1 | Very high | 94.9 | Very high | 120 Ų | 120 | 108.1 Ų | 108.1 | 52% | 0.522 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59 | -33.9 | 174.6 | -74.7 | 170 | -178.1 | 172.2 | 0 | 112.4 | I73 E74 E75 K81 | I73-K77 HydrophobicContact CG2-CD 4.27Å; I73-K77 VanDerWaalsContact O-CG 3.27Å; I73-K77 WeakPolarHBondContact O-CG 3.45Å; I73-K77 PolarHBondContact O-N 3.47Å; E74-K77 PolarHBondContact O-N 2.65Å; E75-K77 PolarHBondContact O-N 2.94Å; K77-K81 VanDerWaalsContact O-CG 3.26Å; K77-K81 WeakPolarHBondContact O-CG 3.5Å; K77-K81 PolarHBondContact O-N 3.05Å; K77-K81 VanDerWaalsContact O-N 3.16Å |
| 78 | T | 95.4 | Very high | 95.1 | Very high | 90 Ų | 90 | 106.6 Ų | 106.6 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.3 | -41.6 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | E74 E75 Q76 K81 A82 | E74-T78 PolarHBondContact O-N 3.42Å; E74-T78 PolarHBondContact O-OG1 3.42Å; E75-T78 WeakPolarHBondContact O-CA 3.4Å; E75-T78 WeakPolarHBondContact O-CB 3.45Å; E75-T78 PolarHBondContact O-N 3.21Å; Q76-T78 PolarHBondContact O-N 3.21Å; T78-K81 PolarHBondContact O-N 3.4Å; T78-A82 PolarHBondContact O-N 3.48Å |
| 79 | L | 95.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 110 Ų | 110 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 173.7 | -67.9 | -179.9 | 0 | 0 | 0 | 111.9 | E75 Q76 K81 A82 R83 | E75-L79 WeakPolarHBondContact O-CG 3.49Å; E75-L79 PolarHBondContact O-N 3.27Å; Q76-L79 PolarHBondContact O-N 3.04Å; L79-K81 PolarHBondContact O-N 3.24Å; L79-A82 PolarHBondContact O-N 3.11Å; L79-R83 WeakPolarHBondContact O-CB 3.34Å; L79-R83 PolarHBondContact O-N 2.96Å |
| 80 | D | 96 | Very high | 95.1 | Very high | 79 Ų | 79 | 110.1 Ų | 110.1 | 42% | 0.422 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 178.9 | -65.8 | -21.7 | 0 | 0 | 0 | 110.9 | Q76 A82 R83 E84 | Q76-D80 PolarHBondContact NE2-OD1 2.84Å; Q76-D80 WeakPolarHBondContact O-CB 3.47Å; Q76-D80 PolarHBondContact O-N 3.12Å; D80-A82 PolarHBondContact O-N 3.22Å; D80-R83 WeakPolarHBondContact O-CB 3.27Å; D80-R83 PolarHBondContact O-N 3.31Å; D80-E84 WeakPolarHBondContact O-CB 3.49Å; D80-E84 PolarHBondContact O-N 3.36Å |
| 81 | K | 96.9 | Very high | 95.1 | Very high | 129 Ų | 129 | 110.2 Ų | 110.2 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 173 | -74.9 | 171.8 | -177.2 | 177.9 | 0 | 112.9 | K77 T78 L79 R83 K85 | K77-K81 VanDerWaalsContact O-CG 3.26Å; K77-K81 WeakPolarHBondContact O-CG 3.5Å; K77-K81 PolarHBondContact O-N 3.05Å; K77-K81 VanDerWaalsContact O-N 3.16Å; T78-K81 PolarHBondContact O-N 3.4Å; L79-K81 PolarHBondContact O-N 3.24Å; K81-R83 VanDerWaalsContact C-N 3.34Å; K81-K85 WeakPolarHBondContact O-CG 3.37Å; K81-K85 PolarHBondContact O-N 2.91Å; K81-K85 VanDerWaalsContact O-N 3.13Å |
| 82 | A | 97.1 | Very high | 95 | Very high | 50 Ų | 50 | 109.2 Ų | 109.2 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | T78 L79 D80 K85 L86 | T78-A82 PolarHBondContact O-N 3.48Å; L79-A82 PolarHBondContact O-N 3.11Å; D80-A82 PolarHBondContact O-N 3.22Å; A82-K85 PolarHBondContact O-N 2.98Å; A82-L86 WeakPolarHBondContact O-CG 3.45Å; A82-L86 PolarHBondContact O-N 3.48Å |
| 83 | R | 97.4 | Very high | 94.8 | Very high | 179 Ų | 179 | 107.2 Ų | 107.2 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 176.1 | -173.4 | 178.8 | -177.1 | 162.1 | 2.8 | 112 | L79 D80 K81 K85 L86 E87 | L79-R83 WeakPolarHBondContact O-CB 3.34Å; L79-R83 PolarHBondContact O-N 2.96Å; D80-R83 WeakPolarHBondContact O-CB 3.27Å; D80-R83 PolarHBondContact O-N 3.31Å; K81-R83 VanDerWaalsContact C-N 3.34Å; R83-K85 PolarHBondContact O-N 2.81Å; R83-L86 PolarHBondContact O-N 2.94Å; R83-E87 WeakPolarHBondContact O-CB 3.49Å; R83-E87 PolarHBondContact O-N 2.88Å |
| 84 | E | 97.2 | Very high | 94.5 | Very high | 113 Ų | 113 | 107.4 Ų | 107.4 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 176.1 | -177 | 178.5 | -163.2 | 0 | 0 | 111 | D80 L86 E87 E88 | D80-E84 WeakPolarHBondContact O-CB 3.49Å; D80-E84 PolarHBondContact O-N 3.36Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.96Å; E84-E87 WeakPolarHBondContact O-CB 3.26Å; E84-E87 PolarHBondContact O-N 3.41Å; E84-E87 VanDerWaalsContact O-N 3.14Å; E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 2.89Å |
| 85 | K | 96.8 | Very high | 94.3 | Very high | 148 Ų | 148 | 106.5 Ų | 106.5 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -37.6 | 176.8 | -73.3 | -173 | 177.2 | -172.4 | 0 | 113.4 | K81 A82 R83 E87 K89 | K81-K85 WeakPolarHBondContact O-CG 3.37Å; K81-K85 PolarHBondContact O-N 2.91Å; K81-K85 VanDerWaalsContact O-N 3.13Å; A82-K85 PolarHBondContact O-N 2.98Å; R83-K85 PolarHBondContact O-N 2.81Å; K85-E87 VanDerWaalsContact C-N 3.34Å; K85-K89 WeakPolarHBondContact O-CB 3.33Å; K85-K89 PolarHBondContact O-N 3.07Å |
| 86 | L | 96 | Very high | 93.8 | Very high | 121 Ų | 121 | 102.7 Ų | 102.7 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.6 | -39.1 | 175.3 | -78.5 | 173.1 | 0 | 0 | 0 | 111.4 | A82 R83 E84 K89 A90 | A82-L86 WeakPolarHBondContact O-CG 3.45Å; A82-L86 PolarHBondContact O-N 3.48Å; R83-L86 PolarHBondContact O-N 2.94Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.96Å; L86-K89 PolarHBondContact O-N 3.44Å; L86-A90 VanDerWaalsContact O-CB 3.32Å; L86-A90 WeakPolarHBondContact O-CB 3.43Å; L86-A90 PolarHBondContact O-N 2.96Å |
| 87 | E | 95.9 | Very high | 93.3 | Very high | 98 Ų | 98 | 100 Ų | 100 | 46% | 0.458 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 175.5 | -167.9 | -175.6 | 153 | 0 | 0 | 111.6 | R83 E84 K85 K89 A90 K91 | R83-E87 WeakPolarHBondContact O-CB 3.49Å; R83-E87 PolarHBondContact O-N 2.88Å; E84-E87 WeakPolarHBondContact O-CB 3.26Å; E84-E87 PolarHBondContact O-N 3.41Å; E84-E87 VanDerWaalsContact O-N 3.14Å; K85-E87 VanDerWaalsContact C-N 3.34Å; E87-K89 VanDerWaalsContact C-N 3.35Å; E87-K89 PolarHBondContact O-N 3.23Å; E87-A90 PolarHBondContact O-N 3.02Å; E87-K91 HydrophobicContact CG-CD 4.42Å; E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 VanDerWaalsContact O-CG 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 2.88Å; E87-K91 WeakPolarHBondContact OE1-CE 3.47Å; E87-K91 IonicContact OE1-NZ 3.76Å; E87-K91 PolarHBondContact OE1-NZ 3.19Å |
| 88 | E | 95 | Very high | 92.8 | Very high | 112 Ų | 112 | 100.8 Ų | 100.8 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 172.6 | -72.3 | -179.9 | 159.4 | 0 | 0 | 111.7 | E84 K91 L92 | E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 2.89Å; E88-K91 PolarHBondContact O-N 3.46Å; E88-L92 WeakPolarHBondContact O-CB 3.48Å; E88-L92 PolarHBondContact O-N 3.33Å |
| 89 | K | 92.7 | Very high | 91.9 | Very high | 151 Ų | 151 | 98.2 Ų | 98.2 | 66% | 0.657 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 176.4 | -173.1 | 177.1 | 179.6 | 179.4 | 0 | 111.7 | K85 L86 E87 L92 Y93 | K85-K89 WeakPolarHBondContact O-CB 3.33Å; K85-K89 PolarHBondContact O-N 3.07Å; L86-K89 PolarHBondContact O-N 3.44Å; E87-K89 VanDerWaalsContact C-N 3.35Å; E87-K89 PolarHBondContact O-N 3.23Å; K89-L92 PolarHBondContact O-N 3.2Å; K89-Y93 WeakPolarHBondContact O-CB 3.12Å; K89-Y93 PolarHBondContact O-N 3.14Å |
| 90 | A | 94.3 | Very high | 90.9 | Very high | 49 Ų | 49 | 98.1 Ų | 98.1 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L86 E87 L92 Y93 E94 | L86-A90 VanDerWaalsContact O-CB 3.32Å; L86-A90 WeakPolarHBondContact O-CB 3.43Å; L86-A90 PolarHBondContact O-N 2.96Å; E87-A90 PolarHBondContact O-N 3.02Å; A90-L92 PolarHBondContact O-N 3.18Å; A90-Y93 PolarHBondContact O-N 2.97Å; A90-E94 PolarHBondContact O-N 2.75Å |
| 91 | K | 92.4 | Very high | 89.6 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 174.2 | -75.9 | 171.9 | -177.3 | 164.4 | 0 | 111.9 | E87 E88 E94 K95 | E87-K91 HydrophobicContact CG-CD 4.42Å; E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 VanDerWaalsContact O-CG 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 2.88Å; E87-K91 WeakPolarHBondContact OE1-CE 3.47Å; E87-K91 IonicContact OE1-NZ 3.76Å; E87-K91 PolarHBondContact OE1-NZ 3.19Å; E88-K91 PolarHBondContact O-N 3.46Å; K91-E94 PolarHBondContact O-N 3.15Å; K91-K95 WeakPolarHBondContact O-CG 3.32Å; K91-K95 PolarHBondContact O-N 2.81Å |
| 92 | L | 89.4 | Confident | 88.2 | Confident | 77 Ų | 77 | 97.3 Ų | 97.3 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 175.9 | -178.3 | 64 | 0 | 0 | 0 | 110.8 | E88 K89 A90 K95 M96 | E88-L92 WeakPolarHBondContact O-CB 3.48Å; E88-L92 PolarHBondContact O-N 3.33Å; K89-L92 PolarHBondContact O-N 3.2Å; A90-L92 PolarHBondContact O-N 3.18Å; L92-K95 PolarHBondContact O-N 3.43Å; L92-M96 HydrophobicContact CD2-CE 4.42Å; L92-M96 HydrophobicContact CG-CE 3.88Å; L92-M96 WeakPolarHBondContact O-CG 3.32Å; L92-M96 PolarHBondContact O-N 3.4Å |
| 93 | Y | 88.3 | Confident | 86.6 | Confident | 104 Ų | 104 | 99.9 Ų | 99.9 | 41% | 0.408 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.4 | -171.5 | -94.2 | 0 | 0 | 0 | 111.9 | K89 A90 K95 M96 T97 F114 K117 | K89-Y93 WeakPolarHBondContact O-CB 3.12Å; K89-Y93 PolarHBondContact O-N 3.14Å; A90-Y93 PolarHBondContact O-N 2.97Å; Y93-K95 VanDerWaalsContact C-N 3.33Å; Y93-K95 PolarHBondContact O-N 2.93Å; Y93-M96 HydrophobicContact CD2-CE 4.43Å; Y93-M96 PolarHBondContact O-N 2.89Å; Y93-T97 HydrophobicContact CD1-CG2 3.81Å; Y93-T97 HydrophobicContact CE1-CG2 3.41Å; Y93-T97 VanDerWaalsContact CE1-CG2 3.41Å; Y93-T97 HydrophobicContact CE2-CG2 4.39Å; Y93-T97 HydrophobicContact CG-CG2 4.45Å; Y93-T97 WeakPolarHBondContact O-CG2 3.36Å; Y93-T97 PolarHBondContact O-N 3.25Å; Y93-T97 PolarHBondContact O-OG1 3.09Å; Y93-T97 VanDerWaalsContact O-OG1 3.08Å; Y93-F114 AromaticContact CD2-CE1 3.92Å; Y93-F114 HydrophobicContact CD2-CE1 3.92Å; Y93-F114 HydrophobicContact CD2-CZ 4.15Å; Y93-F114 AromaticContact CE2-CE1 3.57Å; Y93-F114 HydrophobicContact CE2-CE1 3.57Å; Y93-F114 HydrophobicContact CE2-CZ 4.01Å; Y93-K117 PolarHBondContact OH-NZ 2.88Å |
| 94 | E | 89.9 | Confident | 85.2 | Confident | 98 Ų | 98 | 99.5 Ų | 99.5 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 174.4 | -82.3 | -169.5 | -152.9 | 0 | 0 | 112.2 | A90 K91 T97 K98 | A90-E94 PolarHBondContact O-N 2.75Å; K91-E94 PolarHBondContact O-N 3.15Å; E94-T97 WeakPolarHBondContact CA-OG1 3.31Å; E94-T97 PolarHBondContact O-N 3.29Å; E94-T97 PolarHBondContact O-OG1 2.93Å; E94-K98 WeakPolarHBondContact O-CB 3.36Å; E94-K98 WeakPolarHBondContact O-CD 2.88Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.5Å; E94-K98 IonicContact OE2-NZ 2.55Å; E94-K98 PolarHBondContact OE2-NZ 2.79Å |
| 95 | K | 87.9 | Confident | 83.8 | Confident | 105 Ų | 105 | 102.3 Ų | 102.3 | 46% | 0.457 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 176.1 | -73.5 | 178.4 | 178.4 | -169.8 | 0 | 111.8 | K91 L92 Y93 T97 K98 G99 D100 | K91-K95 WeakPolarHBondContact O-CG 3.32Å; K91-K95 PolarHBondContact O-N 2.81Å; L92-K95 PolarHBondContact O-N 3.43Å; Y93-K95 VanDerWaalsContact C-N 3.33Å; Y93-K95 PolarHBondContact O-N 2.93Å; K95-T97 VanDerWaalsContact C-N 3.33Å; K95-T97 PolarHBondContact O-N 2.92Å; K95-K98 PolarHBondContact O-N 3.18Å; K95-G99 PolarHBondContact O-N 3.32Å; K95-D100 PolarHBondContact O-N 3.07Å |
| 96 | M | 85.4 | Confident | 82.4 | Confident | 20 Ų | 20 | 97.8 Ų | 97.8 | 10% | 0.099 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 176.9 | -67.8 | -176.8 | -65.9 | 0 | 0 | 111.5 | L92 Y93 K98 G99 F101 Y110 F114 | L92-M96 HydrophobicContact CD2-CE 4.42Å; L92-M96 HydrophobicContact CG-CE 3.88Å; L92-M96 WeakPolarHBondContact O-CG 3.32Å; L92-M96 PolarHBondContact O-N 3.4Å; Y93-M96 HydrophobicContact CD2-CE 4.43Å; Y93-M96 PolarHBondContact O-N 2.89Å; M96-K98 VanDerWaalsContact C-N 3.28Å; M96-K98 PolarHBondContact O-N 2.8Å; M96-G99 PolarHBondContact O-N 3.45Å; M96-F101 HydrophobicContact CB-CE1 4.36Å; M96-Y110 HydrophobicContact SD-CD2 4.18Å; M96-Y110 HydrophobicContact SD-CE1 4.4Å; M96-Y110 HydrophobicContact SD-CE2 3.77Å; M96-F114 HydrophobicContact CB-CD1 3.8Å; M96-F114 HydrophobicContact CB-CD2 4.13Å; M96-F114 HydrophobicContact CB-CE1 3.92Å; M96-F114 HydrophobicContact CB-CE2 4.24Å; M96-F114 HydrophobicContact CB-CG 3.91Å; M96-F114 HydrophobicContact CB-CZ 4.14Å; M96-F114 HydrophobicContact CE-CE1 4.42Å; M96-F114 HydrophobicContact CE-CE2 4.12Å; M96-F114 HydrophobicContact CE-CZ 3.78Å; M96-F114 HydrophobicContact SD-CD2 4.2Å; M96-F114 HydrophobicContact SD-CE2 3.69Å; M96-F114 HydrophobicContact SD-CZ 3.96Å |
| 97 | T | 84.9 | Confident | 81.2 | Confident | 41 Ų | 41 | 93.6 Ų | 93.6 | 25% | 0.252 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.3 | -14 | 176.2 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | Y93 E94 K95 F114 I118 | Y93-T97 HydrophobicContact CD1-CG2 3.81Å; Y93-T97 HydrophobicContact CE1-CG2 3.41Å; Y93-T97 VanDerWaalsContact CE1-CG2 3.41Å; Y93-T97 HydrophobicContact CE2-CG2 4.39Å; Y93-T97 HydrophobicContact CG-CG2 4.45Å; Y93-T97 WeakPolarHBondContact O-CG2 3.36Å; Y93-T97 PolarHBondContact O-N 3.25Å; Y93-T97 PolarHBondContact O-OG1 3.09Å; Y93-T97 VanDerWaalsContact O-OG1 3.08Å; E94-T97 WeakPolarHBondContact CA-OG1 3.31Å; E94-T97 PolarHBondContact O-N 3.29Å; E94-T97 PolarHBondContact O-OG1 2.93Å; K95-T97 VanDerWaalsContact C-N 3.33Å; K95-T97 PolarHBondContact O-N 2.92Å; T97-F114 HydrophobicContact CG2-CD1 4.2Å; T97-F114 HydrophobicContact CG2-CE1 4.28Å; T97-I118 VanDerWaalsContact O-CG1 3.27Å; T97-I118 WeakPolarHBondContact O-CG1 3.41Å |
| 98 | K | 85.1 | Confident | 80.2 | Confident | 138 Ų | 138 | 96.2 Ų | 96.2 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -90 | -10.2 | 173.8 | -74 | 168.2 | -168.2 | 167.5 | 0 | 111.7 | E94 K95 M96 | E94-K98 WeakPolarHBondContact O-CB 3.36Å; E94-K98 WeakPolarHBondContact O-CD 2.88Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.5Å; E94-K98 IonicContact OE2-NZ 2.55Å; E94-K98 PolarHBondContact OE2-NZ 2.79Å; K95-K98 PolarHBondContact O-N 3.18Å; M96-K98 VanDerWaalsContact C-N 3.28Å; M96-K98 PolarHBondContact O-N 2.8Å |
| 99 | G | 75.9 | Confident | 79.5 | Confident | 36 Ų | 36 | 97.6 Ų | 97.6 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 18.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K95 M96 F101 I118 | K95-G99 PolarHBondContact O-N 3.32Å; M96-G99 PolarHBondContact O-N 3.45Å; G99-F101 VanDerWaalsContact C-N 3.32Å; G99-F101 PolarHBondContact O-N 3.16Å; G99-I118 VanDerWaalsContact CA-CD1 3.49Å |
| 100 | D | 74.3 | Confident | 78.9 | Confident | 107 Ų | 107 | 94.3 Ų | 94.3 | 57% | 0.572 | 47% | 0.471 | S | S | * | . | trans | -90.7 | 71.6 | 175.2 | -169 | 26.5 | 0 | 0 | 0 | 108.6 | K95 | K95-D100 PolarHBondContact O-N 3.07Š| ||
| 101 | F | 69.6 | Low | 78.6 | Confident | 53 Ų | 53 | 100.8 Ų | 100.8 | 23% | 0.232 | 50% | 0.498 | C | S | . | . | trans | -80 | 130.8 | 176.3 | -58.7 | -80.2 | 0 | 0 | 0 | 109.5 | M96 G99 E107 F114 T115 | M96-F101 HydrophobicContact CB-CE1 4.36Å; G99-F101 VanDerWaalsContact C-N 3.32Å; G99-F101 PolarHBondContact O-N 3.16Å; F101-E107 HydrophobicContact CE1-CG 4.5Å; F101-E107 WeakPolarHBondContact CE1-OE1 3.32Å; F101-E107 WeakPolarHBondContact CZ-OE1 3.27Å; F101-F114 HydrophobicContact CE1-CB 3.63Å; F101-F114 HydrophobicContact CE1-CD2 4.46Å; F101-F114 HydrophobicContact CE1-CG 4.35Å; F101-F114 HydrophobicContact CZ-CB 3.39Å; F101-T115 HydrophobicContact CD2-CG2 4.47Å; F101-T115 HydrophobicContact CE2-CG2 3.68Å; F101-T115 HydrophobicContact CZ-CG2 4.09Å | ||
| 102 | I | 66.4 | Low | 78.1 | Confident | 137 Ų | 137 | 99 Ų | 99 | 70% | 0.703 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -75.6 | -31.3 | -177.2 | -60 | 172.6 | 0 | 0 | 0 | 110.5 | ||
| 103 | D | 64.6 | Low | 77.9 | Confident | 104 Ų | 104 | 99.4 Ų | 99.4 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | trans | -159.7 | 139.8 | 176.7 | -82 | -44.6 | 0 | 0 | 0 | 110.8 | E105 V106 | D103-E105 VanDerWaalsContact C-N 3.27Å; D103-E105 PolarHBondContact O-N 3.28Å; D103-V106 HydrophobicContact CB-CG2 3.96Å; D103-V106 PolarHBondContact O-N 2.95Å; D103-V106 VanDerWaalsContact O-N 3.12Å | ||
| 104 | E | 67.1 | Low | 77.7 | Confident | 172 Ų | 172 | 95 Ų | 95 | 80% | 0.804 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61 | -32.3 | 178.1 | -67.1 | 176.3 | -179.7 | 0 | 0 | 112.3 | V106 E107 | E104-V106 PolarHBondContact O-N 2.95Å; E104-E107 WeakPolarHBondContact O-CB 3.34Å; E104-E107 PolarHBondContact O-N 3.01Å; E104-E107 VanDerWaalsContact O-N 3.15Å |
| 105 | E | 68.4 | Low | 77.4 | Confident | 171 Ų | 171 | 93 Ų | 93 | 80% | 0.799 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.7 | -25 | 176.5 | -64.8 | -175.5 | 176.2 | 0 | 0 | 113.2 | D103 | D103-E105 VanDerWaalsContact C-N 3.27Å; D103-E105 PolarHBondContact O-N 3.28Å |
| 106 | V | 67.4 | Low | 77.3 | Confident | 53 Ų | 53 | 92.1 Ų | 92.1 | 32% | 0.321 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -82.8 | -23.6 | 179.7 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | D103 E104 M109 Y110 | D103-V106 HydrophobicContact CB-CG2 3.96Å; D103-V106 PolarHBondContact O-N 2.95Å; D103-V106 VanDerWaalsContact O-N 3.12Å; E104-V106 PolarHBondContact O-N 2.95Å; V106-M109 VanDerWaalsContact O-CB 3.26Å; V106-M109 WeakPolarHBondContact O-CB 3.22Å; V106-M109 PolarHBondContact O-N 2.8Å; V106-Y110 HydrophobicContact CG1-CE2 3.66Å; V106-Y110 WeakPolarHBondContact O-CD2 3.32Å; V106-Y110 WeakPolarHBondContact O-CE2 3.39Å |
| 107 | E | 70.3 | Confident | 77.4 | Confident | 34 Ų | 34 | 95.4 Ų | 95.4 | 16% | 0.159 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 175.6 | -173.2 | 152.9 | -144.9 | 0 | 0 | 111.7 | F101 E104 M109 Y110 T115 | F101-E107 HydrophobicContact CE1-CG 4.5Å; F101-E107 WeakPolarHBondContact CE1-OE1 3.32Å; F101-E107 WeakPolarHBondContact CZ-OE1 3.27Å; E104-E107 WeakPolarHBondContact O-CB 3.34Å; E104-E107 PolarHBondContact O-N 3.01Å; E104-E107 VanDerWaalsContact O-N 3.15Å; E107-M109 PolarHBondContact O-N 3.04Å; E107-M109 VanDerWaalsContact O-N 3.08Å; E107-Y110 PolarHBondContact O-N 3.05Å; E107-T115 WeakPolarHBondContact OE1-CG2 3.39Å; E107-T115 PolarHBondContact OE1-N 2.89Å; E107-T115 WeakPolarHBondContact OE2-CG2 3.43Å |
| 108 | D | 74.8 | Confident | 77.4 | Confident | 152 Ų | 152 | 94.7 Ų | 94.7 | 81% | 0.813 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19 | 174 | -77.8 | -9.2 | 0 | 0 | 0 | 113.5 | ||
| 109 | M | 79.7 | Confident | 77.5 | Confident | 142 Ų | 142 | 92.6 Ų | 92.6 | 70% | 0.7 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -19.9 | 178.2 | -140.6 | -179.5 | 68.1 | 0 | 0 | 112.4 | V106 E107 | V106-M109 VanDerWaalsContact O-CB 3.26Å; V106-M109 WeakPolarHBondContact O-CB 3.22Å; V106-M109 PolarHBondContact O-N 2.8Å; E107-M109 PolarHBondContact O-N 3.04Å; E107-M109 VanDerWaalsContact O-N 3.08Å |
| 110 | Y | 81.4 | Confident | 78 | Confident | 81 Ų | 81 | 94.8 Ų | 94.8 | 32% | 0.318 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -96.5 | 134.6 | 179 | -57.4 | -63.4 | 0 | 0 | 0 | 111.2 | M96 V106 E107 V112 F114 | M96-Y110 HydrophobicContact SD-CD2 4.18Å; M96-Y110 HydrophobicContact SD-CE1 4.4Å; M96-Y110 HydrophobicContact SD-CE2 3.77Å; V106-Y110 HydrophobicContact CG1-CE2 3.66Å; V106-Y110 WeakPolarHBondContact O-CD2 3.32Å; V106-Y110 WeakPolarHBondContact O-CE2 3.39Å; E107-Y110 PolarHBondContact O-N 3.05Å; Y110-V112 PolarHBondContact O-N 3.12Å; Y110-F114 HydrophobicContact CG-CE2 4.41Å |
| 111 | L | 87.2 | Confident | 78.5 | Confident | 186 Ų | 186 | 96.5 Ų | 96.5 | 97% | 0.974 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -69.6 | -10.9 | 176.8 | -67.1 | 171.9 | 0 | 0 | 0 | 114 | ||
| 112 | V | 82.8 | Confident | 79.1 | Confident | 69 Ų | 69 | 101.3 Ų | 101.3 | 42% | 0.418 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -109.3 | 118.6 | -179.1 | 179 | 0 | 0 | 0 | 0 | 107.7 | Y110 F114 K117 | Y110-V112 PolarHBondContact O-N 3.12Å; V112-F114 HydrophobicContact CB-CE2 4.17Å; V112-F114 HydrophobicContact CB-CZ 4.41Å; V112-F114 HydrophobicContact CG1-CE2 4.42Å; V112-F114 HydrophobicContact CG1-CZ 4.41Å; V112-F114 WeakPolarHBondContact O-CD2 3.06Å; V112-F114 PolarHBondContact O-N 2.82Å; V112-F114 VanDerWaalsContact O-N 3.13Å; V112-K117 HydrophobicContact CG1-CD 4.29Å |
| 113 | D | 85.3 | Confident | 80 | Confident | 85 Ų | 85 | 101.8 Ų | 101.8 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | trans | -72.8 | 101.6 | 171.3 | -175.8 | -16.7 | 0 | 0 | 0 | 109.3 | T115 Q116 K117 | D113-T115 WeakPolarHBondContact OD1-CB 3.42Å; D113-T115 PolarHBondContact OD1-N 3.33Å; D113-T115 PolarHBondContact OD1-OG1 3.21Å; D113-Q116 HydrophobicContact CB-CB 4.19Å; D113-Q116 PolarHBondContact OD1-N 3.16Å; D113-K117 WeakPolarHBondContact O-CB 3.3Å; D113-K117 PolarHBondContact O-N 3.27Å; D113-K117 VanDerWaalsContact O-N 3.17Å | ||
| 114 | F | 83.8 | Confident | 80.9 | Confident | 11 Ų | 11 | 103.4 Ų | 103.4 | 5% | 0.048 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -76.2 | -28.3 | -179.1 | -75.1 | -83.9 | 0 | 0 | 0 | 111.3 | Y93 M96 T97 F101 Y110 V112 K117 I118 | Y93-F114 AromaticContact CD2-CE1 3.92Å; Y93-F114 HydrophobicContact CD2-CE1 3.92Å; Y93-F114 HydrophobicContact CD2-CZ 4.15Å; Y93-F114 AromaticContact CE2-CE1 3.57Å; Y93-F114 HydrophobicContact CE2-CE1 3.57Å; Y93-F114 HydrophobicContact CE2-CZ 4.01Å; M96-F114 HydrophobicContact CB-CD1 3.8Å; M96-F114 HydrophobicContact CB-CD2 4.13Å; M96-F114 HydrophobicContact CB-CE1 3.92Å; M96-F114 HydrophobicContact CB-CE2 4.24Å; M96-F114 HydrophobicContact CB-CG 3.91Å; M96-F114 HydrophobicContact CB-CZ 4.14Å; M96-F114 HydrophobicContact CE-CE1 4.42Å; M96-F114 HydrophobicContact CE-CE2 4.12Å; M96-F114 HydrophobicContact CE-CZ 3.78Å; M96-F114 HydrophobicContact SD-CD2 4.2Å; M96-F114 HydrophobicContact SD-CE2 3.69Å; M96-F114 HydrophobicContact SD-CZ 3.96Å; T97-F114 HydrophobicContact CG2-CD1 4.2Å; T97-F114 HydrophobicContact CG2-CE1 4.28Å; F101-F114 HydrophobicContact CE1-CB 3.63Å; F101-F114 HydrophobicContact CE1-CD2 4.46Å; F101-F114 HydrophobicContact CE1-CG 4.35Å; F101-F114 HydrophobicContact CZ-CB 3.39Å; Y110-F114 HydrophobicContact CG-CE2 4.41Å; V112-F114 HydrophobicContact CB-CE2 4.17Å; V112-F114 HydrophobicContact CB-CZ 4.41Å; V112-F114 HydrophobicContact CG1-CE2 4.42Å; V112-F114 HydrophobicContact CG1-CZ 4.41Å; V112-F114 WeakPolarHBondContact O-CD2 3.06Å; V112-F114 PolarHBondContact O-N 2.82Å; V112-F114 VanDerWaalsContact O-N 3.13Å; F114-K117 PolarHBondContact O-N 3Å; F114-I118 WeakPolarHBondContact O-CD1 3.31Å; F114-I118 WeakPolarHBondContact O-CG1 3.36Å; F114-I118 PolarHBondContact O-N 3.03Å |
| 115 | T | 83.9 | Confident | 81.4 | Confident | 57 Ų | 57 | 101.7 Ų | 101.7 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 173.1 | 67.5 | 0 | 0 | 0 | 0 | 111.6 | F101 E107 D113 K117 I118 I119 | F101-T115 HydrophobicContact CD2-CG2 4.47Å; F101-T115 HydrophobicContact CE2-CG2 3.68Å; F101-T115 HydrophobicContact CZ-CG2 4.09Å; E107-T115 WeakPolarHBondContact OE1-CG2 3.39Å; E107-T115 PolarHBondContact OE1-N 2.89Å; E107-T115 WeakPolarHBondContact OE2-CG2 3.43Å; D113-T115 WeakPolarHBondContact OD1-CB 3.42Å; D113-T115 PolarHBondContact OD1-N 3.33Å; D113-T115 PolarHBondContact OD1-OG1 3.21Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.4Å; T115-I118 PolarHBondContact O-N 2.79Å; T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 3.25Å; T115-I119 VanDerWaalsContact O-N 3.12Å |
| 116 | Q | 85.7 | Confident | 81.8 | Confident | 86 Ų | 86 | 100.1 Ų | 100.1 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 177.1 | -173.2 | 59.8 | 51.8 | 0 | 0 | 111.1 | D113 I118 I119 D120 | D113-Q116 HydrophobicContact CB-CB 4.19Å; D113-Q116 PolarHBondContact OD1-N 3.16Å; Q116-I118 VanDerWaalsContact C-N 3.29Å; Q116-I118 PolarHBondContact O-N 3.12Å; Q116-I119 WeakPolarHBondContact O-CB 3.49Å; Q116-I119 PolarHBondContact O-N 3.12Å; Q116-I119 VanDerWaalsContact O-N 3.15Å; Q116-D120 PolarHBondContact NE2-OD1 3.48Å; Q116-D120 VanDerWaalsContact O-CG 3.29Å; Q116-D120 PolarHBondContact O-N 3.38Å |
| 117 | K | 86.4 | Confident | 82.2 | Confident | 89 Ų | 89 | 101 Ų | 101 | 39% | 0.387 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -34.6 | 177.2 | -168.4 | 172.4 | -169.3 | 171.2 | 0 | 113.2 | Y93 V112 D113 F114 T115 K121 | Y93-K117 PolarHBondContact OH-NZ 2.88Å; V112-K117 HydrophobicContact CG1-CD 4.29Å; D113-K117 WeakPolarHBondContact O-CB 3.3Å; D113-K117 PolarHBondContact O-N 3.27Å; D113-K117 VanDerWaalsContact O-N 3.17Å; F114-K117 PolarHBondContact O-N 3Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.4Å; K117-K121 VanDerWaalsContact O-CB 3.27Å; K117-K121 WeakPolarHBondContact O-CB 3.47Å; K117-K121 PolarHBondContact O-N 3.04Å |
| 118 | I | 86.3 | Confident | 81.9 | Confident | 25 Ų | 25 | 102.8 Ų | 102.8 | 13% | 0.128 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -68.8 | -44 | 174.5 | -69.5 | 161.3 | 0 | 0 | 0 | 110.5 | T97 G99 F114 T115 Q116 K121 R122 | T97-I118 VanDerWaalsContact O-CG1 3.27Å; T97-I118 WeakPolarHBondContact O-CG1 3.41Å; G99-I118 VanDerWaalsContact CA-CD1 3.49Å; F114-I118 WeakPolarHBondContact O-CD1 3.31Å; F114-I118 WeakPolarHBondContact O-CG1 3.36Å; F114-I118 PolarHBondContact O-N 3.03Å; T115-I118 PolarHBondContact O-N 2.79Å; Q116-I118 VanDerWaalsContact C-N 3.29Å; Q116-I118 PolarHBondContact O-N 3.12Å; I118-K121 PolarHBondContact O-N 3.15Å; I118-R122 WeakPolarHBondContact O-CG 3.33Å; I118-R122 PolarHBondContact O-N 3.48Å |
| 119 | I | 85.9 | Confident | 81.1 | Confident | 94 Ų | 94 | 96.8 Ų | 96.8 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 178.1 | -66.3 | 165.8 | 0 | 0 | 0 | 110 | T115 Q116 K121 R122 K123 | T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 3.25Å; T115-I119 VanDerWaalsContact O-N 3.12Å; Q116-I119 WeakPolarHBondContact O-CB 3.49Å; Q116-I119 PolarHBondContact O-N 3.12Å; Q116-I119 VanDerWaalsContact O-N 3.15Å; I119-K121 VanDerWaalsContact C-N 3.34Å; I119-K121 PolarHBondContact O-N 3.03Å; I119-R122 PolarHBondContact O-N 3.31Å; I119-K123 WeakPolarHBondContact O-CB 3.18Å; I119-K123 PolarHBondContact O-N 2.51Å |
| 120 | D | 86.4 | Confident | 79.7 | Confident | 82 Ų | 82 | 93.4 Ų | 93.4 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -43 | 179.3 | -68 | -17.1 | 0 | 0 | 0 | 111.4 | Q116 R122 K123 E124 | Q116-D120 PolarHBondContact NE2-OD1 3.48Å; Q116-D120 VanDerWaalsContact O-CG 3.29Å; Q116-D120 PolarHBondContact O-N 3.38Å; D120-R122 PolarHBondContact O-N 2.99Å; D120-K123 PolarHBondContact O-N 3.49Å; D120-E124 WeakPolarHBondContact O-CB 3.5Å; D120-E124 PolarHBondContact O-N 3.3Å |
| 121 | K | 84.7 | Confident | 78.2 | Confident | 143 Ų | 143 | 96.3 Ų | 96.3 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -38.1 | 177.3 | -171.8 | 176.2 | -177.8 | -178.8 | 0 | 112.7 | K117 I118 I119 M125 | K117-K121 VanDerWaalsContact O-CB 3.27Å; K117-K121 WeakPolarHBondContact O-CB 3.47Å; K117-K121 PolarHBondContact O-N 3.04Å; I118-K121 PolarHBondContact O-N 3.15Å; I119-K121 VanDerWaalsContact C-N 3.34Å; I119-K121 PolarHBondContact O-N 3.03Å; K121-M125 WeakPolarHBondContact O-CB 3.39Å; K121-M125 PolarHBondContact O-N 3.16Å |
| 122 | R | 82.6 | Confident | 76.3 | Confident | 155 Ų | 155 | 96.9 Ų | 96.9 | 59% | 0.585 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.4 | -43.8 | 173.8 | -76.1 | -176.5 | -176.7 | 176.9 | 3.8 | 111.1 | I118 I119 D120 E124 M125 E126 | I118-R122 WeakPolarHBondContact O-CG 3.33Å; I118-R122 PolarHBondContact O-N 3.48Å; I119-R122 PolarHBondContact O-N 3.31Å; D120-R122 PolarHBondContact O-N 2.99Å; R122-E124 VanDerWaalsContact C-N 3.31Å; R122-E124 PolarHBondContact O-N 2.63Å; R122-M125 CarbonylContact O-C 3.6Å; R122-M125 PolarHBondContact O-N 2.74Å; R122-M125 VanDerWaalsContact O-N 3.14Å; R122-E126 WeakPolarHBondContact O-CB 3.33Å; R122-E126 WeakPolarHBondContact O-CG 3.44Å; R122-E126 PolarHBondContact O-N 2.9Å |
| 123 | K | 86.3 | Confident | 74.4 | Confident | 146 Ų | 146 | 100 Ų | 100 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 176.2 | -172.6 | 178.1 | -179.9 | -178.5 | 0 | 112 | I119 D120 A127 | I119-K123 WeakPolarHBondContact O-CB 3.18Å; I119-K123 PolarHBondContact O-N 2.51Å; D120-K123 PolarHBondContact O-N 3.49Å; K123-A127 VanDerWaalsContact O-CB 3.23Å; K123-A127 WeakPolarHBondContact O-CB 3.41Å; K123-A127 PolarHBondContact O-N 3.46Å |
| 124 | E | 83.1 | Confident | 72.6 | Confident | 139 Ų | 139 | 101 Ų | 101 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 173.2 | -172.3 | -178.2 | -173.5 | 0 | 0 | 111.9 | D120 R122 A127 S128 | D120-E124 WeakPolarHBondContact O-CB 3.5Å; D120-E124 PolarHBondContact O-N 3.3Å; R122-E124 VanDerWaalsContact C-N 3.31Å; R122-E124 PolarHBondContact O-N 2.63Å; E124-A127 PolarHBondContact O-N 2.82Å; E124-S128 WeakPolarHBondContact O-CB 3.34Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 3.16Å |
| 125 | M | 77.7 | Confident | 70.9 | Confident | 135 Ų | 135 | 107.8 Ų | 107.8 | 67% | 0.665 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.9 | -35.7 | 176.2 | -166.4 | 166.8 | 77.7 | 0 | 0 | 112.8 | K121 R122 S128 G129 | K121-M125 WeakPolarHBondContact O-CB 3.39Å; K121-M125 PolarHBondContact O-N 3.16Å; R122-M125 CarbonylContact O-C 3.6Å; R122-M125 PolarHBondContact O-N 2.74Å; R122-M125 VanDerWaalsContact O-N 3.14Å; M125-S128 WeakPolarHBondContact CA-OG 3.39Å; M125-S128 PolarHBondContact O-OG 3.46Å; M125-S128 VanDerWaalsContact O-OG 3.13Å; M125-G129 PolarHBondContact O-N 3.41Å |
| 126 | E | 76.7 | Confident | 68.8 | Low | 139 Ų | 139 | 114.2 Ų | 114.2 | 65% | 0.65 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.1 | -41.1 | 174.1 | -74.8 | 172.6 | -173.7 | 0 | 0 | 111.3 | R122 S128 G129 A130 | R122-E126 WeakPolarHBondContact O-CB 3.33Å; R122-E126 WeakPolarHBondContact O-CG 3.44Å; R122-E126 PolarHBondContact O-N 2.9Å; E126-S128 VanDerWaalsContact C-N 3.29Å; E126-S128 PolarHBondContact O-N 3Å; E126-G129 PolarHBondContact O-N 3.03Å; E126-A130 WeakPolarHBondContact O-CB 3.31Å; E126-A130 PolarHBondContact O-N 2.89Å |
| 127 | A | 74.6 | Confident | 66.6 | Low | 70 Ų | 70 | 115.2 Ų | 115.2 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.3 | -34.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K123 E124 | K123-A127 VanDerWaalsContact O-CB 3.23Å; K123-A127 WeakPolarHBondContact O-CB 3.41Å; K123-A127 PolarHBondContact O-N 3.46Å; E124-A127 PolarHBondContact O-N 2.82Å |
| 128 | S | 64.3 | Low | 64.2 | Low | 73 Ų | 73 | 114.4 Ų | 114.4 | 51% | 0.51 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -83.2 | -29 | 175 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | E124 M125 E126 H131 | E124-S128 WeakPolarHBondContact O-CB 3.34Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 3.16Å; M125-S128 WeakPolarHBondContact CA-OG 3.39Å; M125-S128 PolarHBondContact O-OG 3.46Å; M125-S128 VanDerWaalsContact O-OG 3.13Å; E126-S128 VanDerWaalsContact C-N 3.29Å; E126-S128 PolarHBondContact O-N 3Å; S128-H131 PolarHBondContact O-N 2.97Å |
| 129 | G | 58.1 | Low | 62.1 | Low | 26 Ų | 26 | 122.6 Ų | 122.6 | 27% | 0.268 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70.5 | -35.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M125 E126 H131 R132 D133 | M125-G129 PolarHBondContact O-N 3.41Å; E126-G129 PolarHBondContact O-N 3.03Å; G129-H131 PolarHBondContact O-N 3.12Å; G129-R132 WeakPolarHBondContact O-CA 3.31Å; G129-R132 WeakPolarHBondContact O-CB 3.44Å; G129-R132 PolarHBondContact O-N 2.82Å; G129-D133 PolarHBondContact O-N 3.36Å |
| 130 | A | 50.8 | Low | 59.9 | Low | 70 Ų | 70 | 129.5 Ų | 129.5 | 58% | 0.579 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -20.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E126 | E126-A130 WeakPolarHBondContact O-CB 3.31Å; E126-A130 PolarHBondContact O-N 2.89Å |
| 131 | H | 49.5 | Very low | 57.6 | Low | 143 Ų | 143 | 132.9 Ų | 132.9 | 66% | 0.662 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -15.9 | 171.6 | -162.8 | -71.5 | 0 | 0 | 0 | 112.7 | S128 G129 | S128-H131 PolarHBondContact O-N 2.97Å; G129-H131 PolarHBondContact O-N 3.12Å |
| 132 | R | 48.2 | Very low | 55.5 | Low | 198 Ų | 198 | 132.6 Ų | 132.6 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -25.8 | -173.5 | -146.1 | 178 | -173.3 | -169.7 | 2.4 | 113.5 | G129 S134 Q135 | G129-R132 WeakPolarHBondContact O-CA 3.31Å; G129-R132 WeakPolarHBondContact O-CB 3.44Å; G129-R132 PolarHBondContact O-N 2.82Å; R132-S134 PolarHBondContact O-N 3.15Å; R132-Q135 PolarHBondContact O-N 3.16Å |
| 133 | D | 42.8 | Very low | 53.8 | Low | 135 Ų | 135 | 132.2 Ų | 132.2 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -8.7 | -179.4 | -70.6 | -27.8 | 0 | 0 | 0 | 114 | G129 | G129-D133 PolarHBondContact O-N 3.36Š|
| 134 | S | 47.4 | Very low | 51.6 | Low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -11.2 | 171.7 | -42.6 | 0 | 0 | 0 | 0 | 113.8 | R132 | R132-S134 PolarHBondContact O-N 3.15Š|
| 135 | Q | 46.9 | Very low | 50.1 | Low | 152 Ų | 152 | 136.6 Ų | 136.6 | 71% | 0.71 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -118.4 | 18.6 | -171.2 | -74.6 | -170.2 | -57.8 | 0 | 0 | 114.3 | R132 | R132-Q135 PolarHBondContact O-N 3.16Š|
| 136 | K | 39.5 | Very low | 48.7 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | -109.4 | 52.6 | -176.9 | -142.7 | -179.8 | -174.8 | -175.5 | 0 | 113.6 | ||||
| 137 | A | 39.4 | Very low | 47.1 | Very low | 107 Ų | 107 | 137 Ų | 137 | 88% | 0.884 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -135.6 | 75.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 138 | G | 36.3 | Very low | 45.8 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | 162.7 | 81.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R140 | G138-R140 PolarHBondContact O-N 2.55Š| ||
| 139 | E | 43.7 | Very low | 45.3 | Very low | 196 Ų | 196 | 145 Ų | 145 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -69 | 122.5 | 160.9 | -81.7 | -171.1 | 150.7 | 0 | 0 | 109.2 | ||||
| 140 | R | 38.5 | Very low | 44.7 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -174.6 | 126.5 | 130.5 | -100.5 | 165.4 | -165 | -153.1 | 3.4 | 111.2 | G138 | G138-R140 PolarHBondContact O-N 2.55Š| ||
| 141 | D | 38.6 | Very low | 44.8 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 25.5 | 139.5 | 135.7 | -136.5 | 13.2 | 0 | 0 | 0 | 120.9 | ||||
| 142 | D | 40.1 | Very low | 45.3 | Very low | 137 Ų | 137 | 151.7 Ų | 151.7 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 86.7 | 143 | 153.9 | -120.5 | -4.7 | 0 | 0 | 0 | 120.8 | ||||
| 143 | D | 48.3 | Very low | 45.9 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -41.4 | 121.5 | -179.5 | -67.9 | -49.4 | 0 | 0 | 0 | 114.7 | ||||
| 144 | E | 40.2 | Very low | 46.9 | Very low | 166 Ų | 166 | 146 Ų | 146 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -161.6 | 102.3 | 151.6 | -132.8 | 158.9 | 174.4 | 0 | 0 | 113.9 | N146 | E144-N146 HydrophobicContact CG-CB 4.11Å; E144-N146 PolarHBondContact O-N 2.84Å | ||
| 145 | E | 49.9 | Very low | 47.5 | Very low | 211 Ų | 211 | 145 Ų | 145 | 99% | 0.986 | 78% | 0.779 | S | S | * | * | trans | -65.8 | 69.3 | 150.4 | -69.5 | -170.5 | 160.8 | 0 | 0 | 109.4 | ||||
| 146 | N | 49.6 | Very low | 48.3 | Very low | 119 Ų | 119 | 146 Ų | 146 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -163 | 78.8 | 165.5 | -152.8 | -1.2 | 0 | 0 | 0 | 111.1 | E144 | E144-N146 HydrophobicContact CG-CB 4.11Å; E144-N146 PolarHBondContact O-N 2.84Å | ||
| 147 | L | 41.9 | Very low | 49.7 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -74.7 | 124.4 | 168.9 | -88 | 159.9 | 0 | 0 | 0 | 109 | ||||
| 148 | P | 48.2 | Very low | 51.3 | Low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | trans | -69.3 | 143.5 | 179.4 | 29.8 | -32.8 | 0 | 0 | 0 | 110.1 | G150 | P148-G150 PolarHBondContact O-N 3.24Š| ||
| 149 | E | 52.6 | Low | 52.9 | Low | 201 Ų | 201 | 140 Ų | 140 | 94% | 0.939 | 74% | 0.739 | S | S | * | * | trans | -57.5 | 78 | 170.1 | -160.4 | 164.7 | -154.6 | 0 | 0 | 109.7 | E151 | E149-E151 PolarHBondContact O-N 3.37Š| ||
| 150 | G | 46.6 | Very low | 54.5 | Low | 62 Ų | 62 | 134.2 Ų | 134.2 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | trans | -64.7 | 118.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P148 I152 | P148-G150 PolarHBondContact O-N 3.24Å; G150-I152 PolarHBondContact O-N 3.48Å; G150-I152 VanDerWaalsContact O-N 3.13Å | ||
| 151 | E | 52.4 | Low | 56.8 | Low | 186 Ų | 186 | 127.2 Ų | 127.2 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | trans | -33.9 | 108.1 | -179 | -66 | 171.8 | 169.7 | 0 | 0 | 113.4 | E149 P153 | E149-E151 PolarHBondContact O-N 3.37Å; E151-P153 WeakPolarHBondContact O-CD 3.38Å | ||
| 152 | I | 59.3 | Low | 59.1 | Low | 131 Ų | 131 | 125 Ų | 125 | 67% | 0.672 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 123.6 | 166.5 | -56.3 | 169.7 | 0 | 0 | 0 | 106.3 | G150 | G150-I152 PolarHBondContact O-N 3.48Å; G150-I152 VanDerWaalsContact O-N 3.13Å |
| 153 | P | 62.5 | Low | 61.5 | Low | 104 Ų | 104 | 120 Ų | 120 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 140.1 | 175.7 | -23.4 | 31.5 | 0 | 0 | 0 | 110.3 | E151 | E151-P153 WeakPolarHBondContact O-CD 3.38Š|
| 154 | P | 63.7 | Low | 63.7 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 71% | 0.714 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 135 | 178 | 23.5 | -32.4 | 0 | 0 | 0 | 109.2 | Q156 | P154-Q156 PolarHBondContact O-N 3.35Å; P154-Q156 VanDerWaalsContact O-N 3.13Å |
| 155 | P | 59.7 | Low | 66.1 | Low | 84 Ų | 84 | 111 Ų | 111 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 122.1 | -178.2 | -23.8 | 30.9 | 0 | 0 | 0 | 110.2 | ||
| 156 | Q | 62.7 | Low | 68.1 | Low | 174 Ų | 174 | 105.5 Ų | 105.5 | 81% | 0.813 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -72.3 | -24.6 | 177.4 | -95.4 | 168.2 | -31.2 | 0 | 0 | 111.5 | P154 | P154-Q156 PolarHBondContact O-N 3.35Å; P154-Q156 VanDerWaalsContact O-N 3.13Å |
| 157 | D | 69 | Low | 70 | Confident | 94 Ų | 94 | 100.5 Ų | 100.5 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -139.9 | 150.5 | 179 | -76.9 | -46.6 | 0 | 0 | 0 | 112.3 | S159 E160 | D157-S159 PolarHBondContact O-N 3.28Å; D157-E160 PolarHBondContact O-N 3.1Å |
| 158 | P | 73.3 | Confident | 72 | Confident | 100 Ų | 100 | 94.7 Ų | 94.7 | 65% | 0.649 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -62 | -11.2 | 177 | 26.7 | -35.3 | 0 | 0 | 0 | 113.7 | R177 | P158-R177 PolarHBondContact O-NH1 3.24Š|
| 159 | S | 69.3 | Low | 73.6 | Confident | 52 Ų | 52 | 94.2 Ų | 94.2 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -81.9 | -16.3 | 175.2 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | D157 E161 K178 | D157-S159 PolarHBondContact O-N 3.28Å; S159-E161 VanDerWaalsContact C-N 3.34Å; S159-K178 PolarHBondContact O-N 3.12Å |
| 160 | E | 78.7 | Confident | 75.1 | Confident | 74 Ų | 74 | 87.5 Ų | 87.5 | 35% | 0.346 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -94.7 | 11.1 | 178.8 | -59.7 | -168.7 | 153.1 | 0 | 0 | 112.9 | D157 | D157-E160 PolarHBondContact O-N 3.1Š|
| 161 | E | 86.8 | Confident | 77 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | trans | -73.5 | 132.6 | 174.4 | -162.2 | -179.4 | 135.4 | 0 | 0 | 110.2 | S159 V163 R177 | S159-E161 VanDerWaalsContact C-N 3.34Å; E161-V163 PolarHBondContact O-N 2.55Å; E161-R177 VanDerWaalsContact CB-NH1 3.34Å; E161-R177 WeakPolarHBondContact O-CB 3.26Å; E161-R177 PolarHBondContact O-N 3.4Å; E161-R177 IonicContact OE1-CZ 3.77Å; E161-R177 IonicContact OE1-NH2 3.08Å; E161-R177 PolarHBondContact OE1-NH2 3.42Å; E161-R177 IonicContact OE2-CZ 2.97Å; E161-R177 IonicContact OE2-NH1 3.85Å; E161-R177 PolarHBondContact OE2-NH1 3.48Å; E161-R177 IonicContact OE2-NH2 3.64Å; E161-R177 PolarHBondContact OE2-NH2 3.48Å | ||
| 162 | W | 86.3 | Confident | 78.9 | Confident | 107 Ų | 107 | 87.1 Ų | 87.1 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 125.2 | 172.2 | -68.7 | 92 | 0 | 0 | 0 | 110.6 | R174 C175 M176 | W162-R174 HydrophobicContact CB-CG 4.08Å; W162-R174 VanDerWaalsContact CB-NE 3.34Å; W162-R174 HydrophobicContact CD2-CG 4.45Å; W162-R174 HydrophobicContact CE3-CG 3.82Å; W162-C175 CarbonylContact C-O 3.58Å; W162-C175 WeakPolarHBondContact CA-O 3.45Å; W162-M176 HydrophobicContact CD2-CE 4.08Å; W162-M176 HydrophobicContact CD2-SD 3.83Å; W162-M176 VanDerWaalsContact CE2-CE 3.4Å; W162-M176 HydrophobicContact CE3-SD 4.3Å; W162-M176 HydrophobicContact CG-SD 4.06Å; W162-M176 HydrophobicContact CH2-CE 4.34Å; W162-M176 HydrophobicContact CZ2-CE 3.57Å; W162-M176 HydrophobicContact CZ2-SD 4.33Å |
| 163 | V | 91.3 | Very high | 80.4 | Confident | 32 Ų | 32 | 86.6 Ų | 86.6 | 19% | 0.194 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | E161 C175 R177 L180 | E161-V163 PolarHBondContact O-N 2.55Å; V163-C175 PolarHBondContact N-O 3.29Å; V163-C175 PolarHBondContact O-N 2.92Å; V163-R177 HydrophobicContact CG2-CB 3.85Å; V163-R177 HydrophobicContact CG2-CG 4.22Å; V163-L180 HydrophobicContact CB-CD2 4.46Å; V163-L180 HydrophobicContact CG1-CD2 3.97Å |
| 164 | D | 93.9 | Very high | 81.8 | Confident | 103 Ų | 103 | 89 Ų | 89 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.9 | 172.8 | -59.7 | -28 | 0 | 0 | 0 | 109.4 | R173 R174 | D164-R173 WeakPolarHBondContact CA-O 3.47Å; D164-R174 WeakPolarHBondContact OD1-CB 3.25Å; D164-R174 VanDerWaalsContact OD1-CD 3.28Å; D164-R174 WeakPolarHBondContact OD1-CD 3.48Å; D164-R174 WeakPolarHBondContact OD1-CG 3.46Å; D164-R174 IonicContact OD1-NE 3.99Å; D164-R174 IonicContact OD1-NH1 3.76Å; D164-R174 PolarHBondContact OD1-NH1 3.09Å; D164-R174 IonicContact OD2-NH1 2.67Å |
| 165 | Y | 91 | Very high | 83.1 | Confident | 21 Ų | 21 | 84.2 Ų | 84.2 | 8% | 0.082 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 165.2 | 175.1 | 76.8 | -79.8 | 0 | 0 | 0 | 111 | D167 S172 R173 C175 L180 L183 L184 | Y165-D167 HydrophobicContact CE2-CB 4.48Å; Y165-S172 WeakPolarHBondContact O-CA 3.38Å; Y165-R173 HydrophobicContact CD1-CB 4.28Å; Y165-R173 WeakPolarHBondContact CD1-O 3.34Å; Y165-R173 HydrophobicContact CE1-CB 3.67Å; Y165-R173 HydrophobicContact CE2-CB 4.43Å; Y165-R173 PolarHBondContact N-O 2.9Å; Y165-R173 PolarHBondContact O-N 2.71Å; Y165-C175 HydrophobicContact CD1-CB 4.32Å; Y165-C175 WeakPolarHBondContact CD1-SG 3.44Å; Y165-C175 HydrophobicContact CE1-CB 3.86Å; Y165-C175 WeakPolarHBondContact CE1-SG 3.35Å; Y165-L180 VanDerWaalsContact CB-CD1 3.41Å; Y165-L180 HydrophobicContact CD1-CD1 3.86Å; Y165-L180 HydrophobicContact CD2-CD1 4.3Å; Y165-L180 HydrophobicContact CG-CD1 3.6Å; Y165-L183 HydrophobicContact CE1-CD1 4.01Å; Y165-L183 HydrophobicContact CE2-CB 4.45Å; Y165-L184 HydrophobicContact CD2-CD2 4.39Å |
| 166 | V | 92.3 | Very high | 84.7 | Confident | 95 Ų | 95 | 82.2 Ų | 82.2 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.7 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | ||
| 167 | D | 89.6 | Confident | 85.9 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 8% | 0.075 | 41% | 0.405 | C | S | . | . | trans | -70.2 | 163.1 | 175.9 | -171.1 | 22.6 | 0 | 0 | 0 | 111.4 | Y165 L169 G170 R171 R173 | Y165-D167 HydrophobicContact CE2-CB 4.48Å; D167-L169 PolarHBondContact O-N 3.1Å; D167-G170 WeakPolarHBondContact O-CA 3.3Å; D167-G170 PolarHBondContact O-N 3.04Å; D167-R171 PolarHBondContact N-O 3.46Å; D167-R171 IonicContact OD2-CZ 2.81Å; D167-R171 IonicContact OD2-NE 2.66Å; D167-R171 IonicContact OD2-NH2 2.81Å; D167-R171 PolarHBondContact OD2-NH2 2.95Å; D167-R173 HydrophobicContact CB-CG 4.5Å; D167-R173 IonicContact OD2-NH1 2.71Å | ||
| 168 | S | 82.3 | Confident | 86.9 | Confident | 41 Ų | 41 | 79.1 Ų | 79.1 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.6 | 179.2 | 48.8 | 0 | 0 | 0 | 0 | 113.9 | G170 D187 Q191 | S168-G170 PolarHBondContact O-N 3.43Å; S168-D187 WeakPolarHBondContact CA-OD1 3.41Å; S168-D187 WeakPolarHBondContact CA-OD2 3.35Å; S168-D187 VanDerWaalsContact CB-CG 3.41Å; S168-D187 WeakPolarHBondContact CB-OD1 3.42Å; S168-D187 VanDerWaalsContact CB-OD2 3.23Å; S168-D187 WeakPolarHBondContact CB-OD2 3.49Å; S168-D187 PolarHBondContact N-OD1 3.44Å; S168-D187 PolarHBondContact N-OD2 3.33Å; S168-D187 PolarHBondContact OG-OD1 3.17Å; S168-Q191 VanDerWaalsContact CB-NE2 3.31Å |
| 169 | L | 81.8 | Confident | 87.8 | Confident | 101 Ų | 101 | 77.5 Ų | 77.5 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 3.9 | 176.4 | -67.3 | 91.3 | 0 | 0 | 0 | 113.1 | D167 R171 | D167-L169 PolarHBondContact O-N 3.1Å; L169-R171 VanDerWaalsContact C-N 3.29Å; L169-R171 HydrophobicContact CB-CG 4.31Å; L169-R171 PolarHBondContact O-N 2.73Å |
| 170 | G | 83.9 | Confident | 88.9 | Confident | 60 Ų | 60 | 76.8 Ų | 76.8 | 62% | 0.619 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 73.9 | 17.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D167 S168 | D167-G170 WeakPolarHBondContact O-CA 3.3Å; D167-G170 PolarHBondContact O-N 3.04Å; S168-G170 PolarHBondContact O-N 3.43Å |
| 171 | R | 88.3 | Confident | 89.5 | Confident | 130 Ų | 130 | 77 Ų | 77 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | trans | -92.9 | 131.1 | 179.7 | -61.9 | 178 | -64.7 | -172.2 | 1.7 | 109.7 | D167 L169 | D167-R171 PolarHBondContact N-O 3.46Å; D167-R171 IonicContact OD2-CZ 2.81Å; D167-R171 IonicContact OD2-NE 2.66Å; D167-R171 IonicContact OD2-NH2 2.81Å; D167-R171 PolarHBondContact OD2-NH2 2.95Å; L169-R171 VanDerWaalsContact C-N 3.29Å; L169-R171 HydrophobicContact CB-CG 4.31Å; L169-R171 PolarHBondContact O-N 2.73Å | ||
| 172 | S | 91.6 | Very high | 89.8 | Confident | 109 Ų | 109 | 77 Ų | 77 | 76% | 0.762 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 125.4 | 171.1 | 46.8 | 0 | 0 | 0 | 0 | 110.2 | Y165 | Y165-S172 WeakPolarHBondContact O-CA 3.38Å |
| 173 | R | 90.6 | Very high | 90 | Very high | 120 Ų | 120 | 73.8 Ų | 73.8 | 45% | 0.453 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147 | 178.8 | -62.7 | 177.7 | 74.7 | -177.2 | -3.1 | 109.2 | D164 Y165 D167 | D164-R173 WeakPolarHBondContact CA-O 3.47Å; Y165-R173 HydrophobicContact CD1-CB 4.28Å; Y165-R173 WeakPolarHBondContact CD1-O 3.34Å; Y165-R173 HydrophobicContact CE1-CB 3.67Å; Y165-R173 HydrophobicContact CE2-CB 4.43Å; Y165-R173 PolarHBondContact N-O 2.9Å; Y165-R173 PolarHBondContact O-N 2.71Å; D167-R173 HydrophobicContact CB-CG 4.5Å; D167-R173 IonicContact OD2-NH1 2.71Å |
| 174 | R | 92.7 | Very high | 89.9 | Confident | 154 Ų | 154 | 75.4 Ų | 75.4 | 58% | 0.581 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126 | 179.8 | -169.3 | 170.4 | 175.7 | 115.6 | -6.7 | 109.5 | W162 D164 | W162-R174 HydrophobicContact CB-CG 4.08Å; W162-R174 VanDerWaalsContact CB-NE 3.34Å; W162-R174 HydrophobicContact CD2-CG 4.45Å; W162-R174 HydrophobicContact CE3-CG 3.82Å; D164-R174 WeakPolarHBondContact OD1-CB 3.25Å; D164-R174 VanDerWaalsContact OD1-CD 3.28Å; D164-R174 WeakPolarHBondContact OD1-CD 3.48Å; D164-R174 WeakPolarHBondContact OD1-CG 3.46Å; D164-R174 IonicContact OD1-NE 3.99Å; D164-R174 IonicContact OD1-NH1 3.76Å; D164-R174 PolarHBondContact OD1-NH1 3.09Å; D164-R174 IonicContact OD2-NH1 2.67Å |
| 175 | C | 90.6 | Very high | 89.7 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 7% | 0.068 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 168 | 177.9 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | W162 V163 Y165 L183 | W162-C175 CarbonylContact C-O 3.58Å; W162-C175 WeakPolarHBondContact CA-O 3.45Å; V163-C175 PolarHBondContact N-O 3.29Å; V163-C175 PolarHBondContact O-N 2.92Å; Y165-C175 HydrophobicContact CD1-CB 4.32Å; Y165-C175 WeakPolarHBondContact CD1-SG 3.44Å; Y165-C175 HydrophobicContact CE1-CB 3.86Å; Y165-C175 WeakPolarHBondContact CE1-SG 3.35Å; C175-L183 HydrophobicContact CB-CD1 3.4Å; C175-L183 VanDerWaalsContact CB-CD1 3.4Å |
| 176 | M | 91.9 | Very high | 89.5 | Confident | 42 Ų | 42 | 79.9 Ų | 79.9 | 21% | 0.207 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 147 | 169.8 | -64.4 | -62.1 | -166.8 | 0 | 0 | 110.6 | W162 K178 D179 L180 | W162-M176 HydrophobicContact CD2-CE 4.08Å; W162-M176 HydrophobicContact CD2-SD 3.83Å; W162-M176 VanDerWaalsContact CE2-CE 3.4Å; W162-M176 HydrophobicContact CE3-SD 4.3Å; W162-M176 HydrophobicContact CG-SD 4.06Å; W162-M176 HydrophobicContact CH2-CE 4.34Å; W162-M176 HydrophobicContact CZ2-CE 3.57Å; W162-M176 HydrophobicContact CZ2-SD 4.33Å; M176-K178 HydrophobicContact CB-CG 3.79Å; M176-K178 PolarHBondContact O-N 3.13Å; M176-D179 PolarHBondContact O-N 2.87Å; M176-L180 PolarHBondContact O-N 3.21Å; M176-L180 VanDerWaalsContact O-N 3.17Å |
| 177 | R | 88.1 | Confident | 89.1 | Confident | 88 Ų | 88 | 76 Ų | 76 | 33% | 0.332 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.1 | 178.4 | -174.8 | 172.8 | -67.8 | 140.8 | -2.4 | 113.2 | P158 E161 V163 D179 P181 | P158-R177 PolarHBondContact O-NH1 3.24Å; E161-R177 VanDerWaalsContact CB-NH1 3.34Å; E161-R177 WeakPolarHBondContact O-CB 3.26Å; E161-R177 PolarHBondContact O-N 3.4Å; E161-R177 IonicContact OE1-CZ 3.77Å; E161-R177 IonicContact OE1-NH2 3.08Å; E161-R177 PolarHBondContact OE1-NH2 3.42Å; E161-R177 IonicContact OE2-CZ 2.97Å; E161-R177 IonicContact OE2-NH1 3.85Å; E161-R177 PolarHBondContact OE2-NH1 3.48Å; E161-R177 IonicContact OE2-NH2 3.64Å; E161-R177 PolarHBondContact OE2-NH2 3.48Å; V163-R177 HydrophobicContact CG2-CB 3.85Å; V163-R177 HydrophobicContact CG2-CG 4.22Å; R177-D179 VanDerWaalsContact C-N 3.32Å; R177-D179 PolarHBondContact O-N 3.25Å; R177-P181 WeakPolarHBondContact O-CD 3.4Å |
| 178 | K | 91.3 | Very high | 88.9 | Confident | 115 Ų | 115 | 81.9 Ų | 81.9 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -33.2 | 174.3 | 57.4 | 173.5 | -173.3 | -170 | 0 | 114 | S159 M176 P181 | S159-K178 PolarHBondContact O-N 3.12Å; M176-K178 HydrophobicContact CB-CG 3.79Å; M176-K178 PolarHBondContact O-N 3.13Å; K178-P181 WeakPolarHBondContact O-CD 3.18Å |
| 179 | D | 91.8 | Very high | 88.9 | Confident | 67 Ų | 67 | 85.1 Ų | 85.1 | 36% | 0.358 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -14.4 | -174.8 | -55.4 | -32.1 | 0 | 0 | 0 | 111.5 | M176 R177 D182 L183 | M176-D179 PolarHBondContact O-N 2.87Å; R177-D179 VanDerWaalsContact C-N 3.32Å; R177-D179 PolarHBondContact O-N 3.25Å; D179-D182 PolarHBondContact O-N 3.33Å; D179-L183 HydrophobicContact CB-CD1 4.15Å; D179-L183 WeakPolarHBondContact O-CB 3.49Å; D179-L183 WeakPolarHBondContact O-CD1 3.48Å; D179-L183 VanDerWaalsContact O-CG 3.28Å; D179-L183 WeakPolarHBondContact O-CG 3.36Å; D179-L183 PolarHBondContact O-N 3.45Å |
| 180 | L | 91.5 | Very high | 88.7 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 19% | 0.188 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -56.6 | -45.5 | -179.2 | 178.3 | 64.8 | 0 | 0 | 0 | 113.6 | V163 Y165 M176 L183 L184 | V163-L180 HydrophobicContact CB-CD2 4.46Å; V163-L180 HydrophobicContact CG1-CD2 3.97Å; Y165-L180 VanDerWaalsContact CB-CD1 3.41Å; Y165-L180 HydrophobicContact CD1-CD1 3.86Å; Y165-L180 HydrophobicContact CD2-CD1 4.3Å; Y165-L180 HydrophobicContact CG-CD1 3.6Å; M176-L180 PolarHBondContact O-N 3.21Å; M176-L180 VanDerWaalsContact O-N 3.17Å; L180-L183 PolarHBondContact O-N 3.26Å; L180-L184 HydrophobicContact CD1-CD1 4.07Å; L180-L184 HydrophobicContact CD1-CG 4.16Å; L180-L184 HydrophobicContact CG-CD1 4.08Å; L180-L184 WeakPolarHBondContact O-CB 3.06Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 3.41Å |
| 181 | P | 92.3 | Very high | 87.8 | Confident | 79 Ų | 79 | 86.2 Ų | 86.2 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 178.4 | -21.7 | 34.4 | 0 | 0 | 0 | 112.6 | R177 K178 L184 E185 | R177-P181 WeakPolarHBondContact O-CD 3.4Å; K178-P181 WeakPolarHBondContact O-CD 3.18Å; P181-L184 PolarHBondContact O-N 2.85Å; P181-E185 PolarHBondContact O-N 3.23Å |
| 182 | D | 92.1 | Very high | 86.4 | Confident | 94 Ų | 94 | 82.6 Ų | 82.6 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | -179.6 | -67.8 | 0.5 | 0 | 0 | 0 | 111.2 | D179 E185 M186 | D179-D182 PolarHBondContact O-N 3.33Å; D182-E185 PolarHBondContact O-N 3.01Å; D182-M186 WeakPolarHBondContact O-CG 3.42Å; D182-M186 PolarHBondContact O-N 2.97Å |
| 183 | L | 90.3 | Very high | 84.9 | Confident | 39 Ų | 39 | 87.9 Ų | 87.9 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.5 | -74.1 | 164 | 0 | 0 | 0 | 112 | Y165 C175 D179 L180 E185 M186 D187 | Y165-L183 HydrophobicContact CE1-CD1 4.01Å; Y165-L183 HydrophobicContact CE2-CB 4.45Å; C175-L183 HydrophobicContact CB-CD1 3.4Å; C175-L183 VanDerWaalsContact CB-CD1 3.4Å; D179-L183 HydrophobicContact CB-CD1 4.15Å; D179-L183 WeakPolarHBondContact O-CB 3.49Å; D179-L183 WeakPolarHBondContact O-CD1 3.48Å; D179-L183 VanDerWaalsContact O-CG 3.28Å; D179-L183 WeakPolarHBondContact O-CG 3.36Å; D179-L183 PolarHBondContact O-N 3.45Å; L180-L183 PolarHBondContact O-N 3.26Å; L183-E185 VanDerWaalsContact C-N 3.33Å; L183-M186 HydrophobicContact CD2-CE 3.86Å; L183-M186 HydrophobicContact CG-CE 4.3Å; L183-D187 VanDerWaalsContact O-CB 3.31Å; L183-D187 WeakPolarHBondContact O-CB 3.42Å; L183-D187 PolarHBondContact O-N 3.16Å |
| 184 | L | 89.8 | Confident | 83.1 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 35% | 0.346 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.3 | -31.3 | 174.9 | -70.9 | 171.9 | 0 | 0 | 0 | 112.5 | Y165 L180 P181 K188 | Y165-L184 HydrophobicContact CD2-CD2 4.39Å; L180-L184 HydrophobicContact CD1-CD1 4.07Å; L180-L184 HydrophobicContact CD1-CG 4.16Å; L180-L184 HydrophobicContact CG-CD1 4.08Å; L180-L184 WeakPolarHBondContact O-CB 3.06Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 3.41Å; P181-L184 PolarHBondContact O-N 2.85Å; L184-K188 VanDerWaalsContact O-CG 3.27Å; L184-K188 WeakPolarHBondContact O-CG 3.48Å; L184-K188 PolarHBondContact O-N 3.12Å; L184-K188 VanDerWaalsContact O-N 3.15Å |
| 185 | E | 89.9 | Confident | 81.2 | Confident | 117 Ų | 117 | 86.6 Ų | 86.6 | 55% | 0.547 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.1 | -45 | 174.9 | -173 | 172.6 | -180 | 0 | 0 | 111.8 | P181 D182 L183 D187 K188 N189 | P181-E185 PolarHBondContact O-N 3.23Å; D182-E185 PolarHBondContact O-N 3.01Å; L183-E185 VanDerWaalsContact C-N 3.33Å; E185-D187 VanDerWaalsContact C-N 3.27Å; E185-D187 PolarHBondContact O-N 2.95Å; E185-K188 PolarHBondContact O-N 3.37Å; E185-N189 VanDerWaalsContact O-CG 3.27Å; E185-N189 PolarHBondContact O-N 3.3Å; E185-N189 VanDerWaalsContact O-N 3.1Å; E185-N189 PolarHBondContact O-ND2 3.08Å |
| 186 | M | 85.9 | Confident | 79.3 | Confident | 101 Ų | 101 | 90 Ų | 90 | 50% | 0.498 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 172.2 | -73.2 | -171.8 | -78.5 | 0 | 0 | 111.2 | D182 L183 K188 N189 L190 | D182-M186 WeakPolarHBondContact O-CG 3.42Å; D182-M186 PolarHBondContact O-N 2.97Å; L183-M186 HydrophobicContact CD2-CE 3.86Å; L183-M186 HydrophobicContact CG-CE 4.3Å; M186-K188 PolarHBondContact O-N 2.9Å; M186-N189 WeakPolarHBondContact O-CB 3.17Å; M186-N189 PolarHBondContact O-N 3.3Å; M186-L190 WeakPolarHBondContact O-CD1 3.44Å; M186-L190 PolarHBondContact O-N 3.21Å |
| 187 | D | 85.1 | Confident | 77.5 | Confident | 12 Ų | 12 | 90.2 Ų | 90.2 | 6% | 0.064 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 178.2 | -169.8 | 54.9 | 0 | 0 | 0 | 113.1 | S168 L183 E185 N189 L190 Q191 | S168-D187 WeakPolarHBondContact CA-OD1 3.41Å; S168-D187 WeakPolarHBondContact CA-OD2 3.35Å; S168-D187 VanDerWaalsContact CB-CG 3.41Å; S168-D187 WeakPolarHBondContact CB-OD1 3.42Å; S168-D187 VanDerWaalsContact CB-OD2 3.23Å; S168-D187 WeakPolarHBondContact CB-OD2 3.49Å; S168-D187 PolarHBondContact N-OD1 3.44Å; S168-D187 PolarHBondContact N-OD2 3.33Å; S168-D187 PolarHBondContact OG-OD1 3.17Å; L183-D187 VanDerWaalsContact O-CB 3.31Å; L183-D187 WeakPolarHBondContact O-CB 3.42Å; L183-D187 PolarHBondContact O-N 3.16Å; E185-D187 VanDerWaalsContact C-N 3.27Å; E185-D187 PolarHBondContact O-N 2.95Å; D187-N189 VanDerWaalsContact C-N 3.29Å; D187-N189 PolarHBondContact O-N 3.16Å; D187-L190 WeakPolarHBondContact O-CB 3.44Å; D187-L190 PolarHBondContact O-N 3Å; D187-L190 VanDerWaalsContact O-N 3.14Å; D187-Q191 WeakPolarHBondContact O-CG 3.4Å; D187-Q191 PolarHBondContact O-N 3.48Å; D187-Q191 PolarHBondContact OD2-NE2 3.22Å |
| 188 | K | 84.8 | Confident | 76 | Confident | 139 Ų | 139 | 90.6 Ų | 90.6 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.6 | -39.4 | 173.8 | -72.5 | 167.4 | -174.5 | 173.7 | 0 | 112.3 | L184 E185 M186 L190 Q191 G192 | L184-K188 VanDerWaalsContact O-CG 3.27Å; L184-K188 WeakPolarHBondContact O-CG 3.48Å; L184-K188 PolarHBondContact O-N 3.12Å; L184-K188 VanDerWaalsContact O-N 3.15Å; E185-K188 PolarHBondContact O-N 3.37Å; M186-K188 PolarHBondContact O-N 2.9Å; K188-L190 VanDerWaalsContact C-N 3.31Å; K188-L190 PolarHBondContact O-N 3.33Å; K188-Q191 PolarHBondContact O-N 3.01Å; K188-G192 PolarHBondContact O-N 3.44Å |
| 189 | N | 81.6 | Confident | 74.2 | Confident | 108 Ų | 108 | 88.6 Ų | 88.6 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.6 | -31.1 | 178.2 | -65.7 | -16.6 | 0 | 0 | 0 | 112.1 | E185 M186 D187 | E185-N189 VanDerWaalsContact O-CG 3.27Å; E185-N189 PolarHBondContact O-N 3.3Å; E185-N189 VanDerWaalsContact O-N 3.1Å; E185-N189 PolarHBondContact O-ND2 3.08Å; M186-N189 WeakPolarHBondContact O-CB 3.17Å; M186-N189 PolarHBondContact O-N 3.3Å; D187-N189 VanDerWaalsContact C-N 3.29Å; D187-N189 PolarHBondContact O-N 3.16Å |
| 190 | L | 77.6 | Confident | 72.6 | Confident | 89 Ų | 89 | 88.3 Ų | 88.3 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.9 | -42.1 | 172.1 | -90.7 | 80 | 0 | 0 | 0 | 112.1 | M186 D187 K188 G192 R193 L194 | M186-L190 WeakPolarHBondContact O-CD1 3.44Å; M186-L190 PolarHBondContact O-N 3.21Å; D187-L190 WeakPolarHBondContact O-CB 3.44Å; D187-L190 PolarHBondContact O-N 3Å; D187-L190 VanDerWaalsContact O-N 3.14Å; K188-L190 VanDerWaalsContact C-N 3.31Å; K188-L190 PolarHBondContact O-N 3.33Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 3.03Å; L190-R193 PolarHBondContact O-N 3.38Å; L190-R193 VanDerWaalsContact O-N 3.13Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 3.05Å |
| 191 | Q | 66 | Low | 70.9 | Confident | 95 Ų | 95 | 91.4 Ų | 91.4 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 177.7 | -68.6 | 177.8 | 19.1 | 0 | 0 | 111.8 | S168 D187 K188 R193 L194 F195 | S168-Q191 VanDerWaalsContact CB-NE2 3.31Å; D187-Q191 WeakPolarHBondContact O-CG 3.4Å; D187-Q191 PolarHBondContact O-N 3.48Å; D187-Q191 PolarHBondContact OD2-NE2 3.22Å; K188-Q191 PolarHBondContact O-N 3.01Å; Q191-R193 PolarHBondContact O-N 3.43Å; Q191-L194 PolarHBondContact O-N 2.97Å; Q191-F195 VanDerWaalsContact O-CB 3.24Å; Q191-F195 WeakPolarHBondContact O-CB 3.2Å; Q191-F195 PolarHBondContact O-N 3.4Å |
| 192 | G | 59.9 | Low | 69.3 | Low | 54 Ų | 54 | 93.9 Ų | 93.9 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.7 | -27.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K188 L190 | K188-G192 PolarHBondContact O-N 3.44Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 3.03Å |
| 193 | R | 58.4 | Low | 67.8 | Low | 221 Ų | 221 | 93.4 Ų | 93.4 | 83% | 0.834 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -92.6 | -24.7 | -178.8 | -145.4 | 178.7 | -169.3 | -118.4 | 3.8 | 113.4 | L190 Q191 | L190-R193 PolarHBondContact O-N 3.38Å; L190-R193 VanDerWaalsContact O-N 3.13Å; Q191-R193 PolarHBondContact O-N 3.43Å |
| 194 | L | 54.3 | Low | 66.3 | Low | 117 Ų | 117 | 96.2 Ų | 96.2 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -91.5 | -26.2 | 179 | -69.1 | 173.1 | 0 | 0 | 0 | 113.1 | L190 Q191 | L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 3.05Å; Q191-L194 PolarHBondContact O-N 2.97Å |
| 195 | F | 51.3 | Low | 65.4 | Low | 130 Ų | 130 | 95 Ų | 95 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -84 | -22.6 | -176.6 | -162.1 | -104.7 | 0 | 0 | 0 | 114 | Q191 L204 | Q191-F195 VanDerWaalsContact O-CB 3.24Å; Q191-F195 WeakPolarHBondContact O-CB 3.2Å; Q191-F195 PolarHBondContact O-N 3.4Å; F195-L204 HydrophobicContact CD1-CD1 4.41Å; F195-L204 HydrophobicContact CD2-CD1 4.41Å; F195-L204 HydrophobicContact CE1-CD1 3.8Å; F195-L204 HydrophobicContact CE2-CD1 3.8Å; F195-L204 HydrophobicContact CZ-CD1 3.46Å; F195-L204 VanDerWaalsContact CZ-CD1 3.46Å |
| 196 | V | 51.4 | Low | 64.9 | Low | 81 Ų | 81 | 93 Ų | 93 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | trans | -122.4 | 67.5 | -176.5 | -166 | 0 | 0 | 0 | 0 | 110.7 | E201 | V196-E201 HydrophobicContact CG1-CG 4.05Å; V196-E201 VanDerWaalsContact CG1-OE1 3.3Å; V196-E201 WeakPolarHBondContact CG1-OE1 3.41Å | ||
| 197 | S | 54.3 | Low | 64.4 | Low | 47 Ų | 47 | 94.4 Ų | 94.4 | 33% | 0.329 | 50% | 0.501 | S | S | . | . | trans | -94.4 | 142.3 | 157.9 | 68.9 | 0 | 0 | 0 | 0 | 108.5 | A199 N200 E201 | S197-A199 PolarHBondContact O-N 2.97Å; S197-N200 PolarHBondContact O-N 3.08Å; S197-N200 WeakPolarHBondContact OG-CB 3.42Å; S197-N200 PolarHBondContact OG-N 3.46Å; S197-E201 PolarHBondContact O-N 2.92Å | ||
| 198 | P | 56.6 | Low | 64.3 | Low | 96 Ų | 96 | 99 Ų | 99 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -56.3 | -18.8 | 177 | -27.1 | 34.7 | 0 | 0 | 0 | 114.2 | ||
| 199 | A | 54 | Low | 64.2 | Low | 73 Ų | 73 | 96.8 Ų | 96.8 | 60% | 0.603 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -79 | -33.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S197 T203 | S197-A199 PolarHBondContact O-N 2.97Å; A199-T203 PolarHBondContact O-OG1 3Å; A199-T203 VanDerWaalsContact O-OG1 3.12Å |
| 200 | N | 56.6 | Low | 64.1 | Low | 61 Ų | 61 | 96.4 Ų | 96.4 | 33% | 0.326 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -90.9 | -26.1 | -180 | -149.5 | 22.9 | 0 | 0 | 0 | 113.1 | S197 K202 T203 L204 | S197-N200 PolarHBondContact O-N 3.08Å; S197-N200 WeakPolarHBondContact OG-CB 3.42Å; S197-N200 PolarHBondContact OG-N 3.46Å; N200-K202 VanDerWaalsContact C-N 3.33Å; N200-K202 PolarHBondContact O-N 3.26Å; N200-T203 CarbonylContact O-C 3.58Å; N200-T203 WeakPolarHBondContact O-CA 3.24Å; N200-T203 WeakPolarHBondContact O-CB 3.48Å; N200-T203 PolarHBondContact O-N 3.47Å; N200-L204 PolarHBondContact O-N 3.08Å; N200-L204 VanDerWaalsContact O-N 3.08Å |
| 201 | E | 57.4 | Low | 64.4 | Low | 100 Ų | 100 | 97.5 Ų | 97.5 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -54.8 | -50 | 171.2 | -82 | -174.1 | 153.3 | 0 | 0 | 111 | V196 S197 T203 L204 L205 | V196-E201 HydrophobicContact CG1-CG 4.05Å; V196-E201 VanDerWaalsContact CG1-OE1 3.3Å; V196-E201 WeakPolarHBondContact CG1-OE1 3.41Å; S197-E201 PolarHBondContact O-N 2.92Å; E201-T203 PolarHBondContact O-N 2.8Å; E201-T203 VanDerWaalsContact O-N 3.15Å; E201-L204 PolarHBondContact O-N 3.15Å; E201-L205 WeakPolarHBondContact O-CG 3.39Å; E201-L205 PolarHBondContact O-N 3.12Å; E201-L205 VanDerWaalsContact O-N 3.16Å |
| 202 | K | 57.8 | Low | 65.3 | Low | 132 Ų | 132 | 96.6 Ų | 96.6 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.6 | -35.4 | 176.4 | -62.6 | 175.6 | -171.6 | -178 | 0 | 111.4 | N200 L204 L205 R210 | N200-K202 VanDerWaalsContact C-N 3.33Å; N200-K202 PolarHBondContact O-N 3.26Å; K202-L204 VanDerWaalsContact C-N 3.35Å; K202-L205 PolarHBondContact O-N 3.01Å; K202-R210 VanDerWaalsContact O-CZ 3.27Å; K202-R210 PolarHBondContact O-NE 2.95Å; K202-R210 PolarHBondContact O-NH2 3.16Å |
| 203 | T | 60.3 | Low | 66.5 | Low | 84 Ų | 84 | 97.4 Ų | 97.4 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -79 | -16.1 | -177.7 | -46.5 | 0 | 0 | 0 | 0 | 113.3 | A199 N200 E201 R210 | A199-T203 PolarHBondContact O-OG1 3Å; A199-T203 VanDerWaalsContact O-OG1 3.12Å; N200-T203 CarbonylContact O-C 3.58Å; N200-T203 WeakPolarHBondContact O-CA 3.24Å; N200-T203 WeakPolarHBondContact O-CB 3.48Å; N200-T203 PolarHBondContact O-N 3.47Å; E201-T203 PolarHBondContact O-N 2.8Å; E201-T203 VanDerWaalsContact O-N 3.15Å; T203-R210 PolarHBondContact O-NH2 3.25Å |
| 204 | L | 59.6 | Low | 67.6 | Low | 98 Ų | 98 | 93.4 Ų | 93.4 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -97 | -11.5 | 173.4 | -65.1 | 173 | 0 | 0 | 0 | 113.4 | F195 N200 E201 K202 | F195-L204 HydrophobicContact CD1-CD1 4.41Å; F195-L204 HydrophobicContact CD2-CD1 4.41Å; F195-L204 HydrophobicContact CE1-CD1 3.8Å; F195-L204 HydrophobicContact CE2-CD1 3.8Å; F195-L204 HydrophobicContact CZ-CD1 3.46Å; F195-L204 VanDerWaalsContact CZ-CD1 3.46Å; N200-L204 PolarHBondContact O-N 3.08Å; N200-L204 VanDerWaalsContact O-N 3.08Å; E201-L204 PolarHBondContact O-N 3.15Å; K202-L204 VanDerWaalsContact C-N 3.35Å |
| 205 | L | 69.7 | Low | 69.1 | Low | 40 Ų | 40 | 94.2 Ų | 94.2 | 21% | 0.209 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -65.7 | 136.8 | 170.2 | -57.6 | -179.3 | 0 | 0 | 0 | 110.2 | E201 K202 M209 R210 L213 | E201-L205 WeakPolarHBondContact O-CG 3.39Å; E201-L205 PolarHBondContact O-N 3.12Å; E201-L205 VanDerWaalsContact O-N 3.16Å; K202-L205 PolarHBondContact O-N 3.01Å; L205-M209 HydrophobicContact CB-CB 4.36Å; L205-M209 HydrophobicContact CB-CE 3.65Å; L205-M209 HydrophobicContact CB-CG 4.42Å; L205-M209 HydrophobicContact CD1-CG 4.41Å; L205-M209 HydrophobicContact CD2-CE 3.16Å; L205-M209 HydrophobicContact CD2-CG 4.37Å; L205-M209 HydrophobicContact CD2-SD 3.79Å; L205-M209 HydrophobicContact CG-CE 3.88Å; L205-R210 HydrophobicContact CB-CG 3.93Å; L205-R210 PolarHBondContact O-NE 3.15Å; L205-R210 PolarHBondContact O-NH2 3.2Å; L205-R210 VanDerWaalsContact O-NH2 3.15Å; L205-L213 HydrophobicContact CD1-CD1 3.38Å |
| 206 | S | 79.4 | Confident | 70.8 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 52% | 0.517 | 47% | 0.473 | S | S | . | . | trans | -52.7 | 146.9 | 167 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | D208 M209 R210 | S206-D208 PolarHBondContact O-N 2.65Å; S206-D208 VanDerWaalsContact O-N 3.08Å; S206-M209 PolarHBondContact O-N 3.42Å; S206-R210 PolarHBondContact O-N 2.71Å | ||
| 207 | E | 76.1 | Confident | 72.4 | Confident | 131 Ų | 131 | 93.8 Ų | 93.8 | 61% | 0.612 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -51.2 | -36 | 178.6 | -71.7 | -163.7 | 158.1 | 0 | 0 | 112.5 | R210 K211 | E207-R210 PolarHBondContact O-N 3.23Å; E207-K211 WeakPolarHBondContact O-CG 3.44Å; E207-K211 PolarHBondContact O-N 3.12Å |
| 208 | D | 82.9 | Confident | 73.8 | Confident | 109 Ų | 109 | 99.5 Ų | 99.5 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71 | -35.6 | -179.9 | -66.9 | -21.9 | 0 | 0 | 0 | 112.4 | S206 K211 E212 | S206-D208 PolarHBondContact O-N 2.65Å; S206-D208 VanDerWaalsContact O-N 3.08Å; D208-K211 PolarHBondContact O-N 3.35Å; D208-K211 IonicContact OD1-NZ 3.64Å; D208-E212 WeakPolarHBondContact O-CB 3.45Å; D208-E212 PolarHBondContact O-N 3.19Å |
| 209 | M | 82 | Confident | 75.2 | Confident | 93 Ų | 93 | 99 Ų | 99 | 46% | 0.458 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73 | -30.4 | 175.5 | -175.2 | 167.7 | 41 | 0 | 0 | 111.7 | L205 S206 E212 L213 | L205-M209 HydrophobicContact CB-CB 4.36Å; L205-M209 HydrophobicContact CB-CE 3.65Å; L205-M209 HydrophobicContact CB-CG 4.42Å; L205-M209 HydrophobicContact CD1-CG 4.41Å; L205-M209 HydrophobicContact CD2-CE 3.16Å; L205-M209 HydrophobicContact CD2-CG 4.37Å; L205-M209 HydrophobicContact CD2-SD 3.79Å; L205-M209 HydrophobicContact CG-CE 3.88Å; S206-M209 PolarHBondContact O-N 3.42Å; M209-E212 PolarHBondContact O-N 3.15Å; M209-L213 WeakPolarHBondContact O-CG 3.26Å; M209-L213 PolarHBondContact O-N 2.87Å |
| 210 | R | 80.1 | Confident | 76.6 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 170.3 | -68.6 | -174.2 | -167.9 | 150.2 | 17.9 | 112.1 | K202 T203 L205 S206 E207 E212 L213 Q214 | K202-R210 VanDerWaalsContact O-CZ 3.27Å; K202-R210 PolarHBondContact O-NE 2.95Å; K202-R210 PolarHBondContact O-NH2 3.16Å; T203-R210 PolarHBondContact O-NH2 3.25Å; L205-R210 HydrophobicContact CB-CG 3.93Å; L205-R210 PolarHBondContact O-NE 3.15Å; L205-R210 PolarHBondContact O-NH2 3.2Å; L205-R210 VanDerWaalsContact O-NH2 3.15Å; S206-R210 PolarHBondContact O-N 2.71Å; E207-R210 PolarHBondContact O-N 3.23Å; R210-E212 PolarHBondContact O-N 3Å; R210-L213 PolarHBondContact O-N 3.2Å; R210-Q214 PolarHBondContact O-N 2.94Å |
| 211 | K | 84.2 | Confident | 77.7 | Confident | 112 Ų | 112 | 103 Ų | 103 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 176.7 | -72.9 | 170 | -170.2 | 159.1 | 0 | 110.7 | E207 D208 Q214 R215 | E207-K211 WeakPolarHBondContact O-CG 3.44Å; E207-K211 PolarHBondContact O-N 3.12Å; D208-K211 PolarHBondContact O-N 3.35Å; D208-K211 IonicContact OD1-NZ 3.64Å; K211-Q214 PolarHBondContact O-N 2.92Å; K211-R215 WeakPolarHBondContact O-CB 3.48Å; K211-R215 PolarHBondContact O-N 2.91Å |
| 212 | E | 84.6 | Confident | 78.7 | Confident | 77 Ų | 77 | 102.9 Ų | 102.9 | 36% | 0.36 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 178.5 | -169 | 55.7 | -152.7 | 0 | 0 | 112.8 | D208 M209 R210 Q214 R215 Q216 | D208-E212 WeakPolarHBondContact O-CB 3.45Å; D208-E212 PolarHBondContact O-N 3.19Å; M209-E212 PolarHBondContact O-N 3.15Å; R210-E212 PolarHBondContact O-N 3Å; E212-Q214 VanDerWaalsContact C-N 3.33Å; E212-Q214 PolarHBondContact O-N 3.08Å; E212-R215 WeakPolarHBondContact O-CB 3.39Å; E212-R215 PolarHBondContact O-N 3.26Å; E212-R215 IonicContact OE2-CZ 3.15Å; E212-R215 IonicContact OE2-NE 3.83Å; E212-R215 PolarHBondContact OE2-NE 2.85Å; E212-Q216 WeakPolarHBondContact O-CG 3.27Å; E212-Q216 PolarHBondContact O-N 2.86Å |
| 213 | L | 85.6 | Confident | 79.8 | Confident | 71 Ų | 71 | 102.1 Ų | 102.1 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 172.5 | -77.5 | 173.7 | 0 | 0 | 0 | 112.4 | L205 M209 R210 R215 Q216 Q217 | L205-L213 HydrophobicContact CD1-CD1 3.38Å; M209-L213 WeakPolarHBondContact O-CG 3.26Å; M209-L213 PolarHBondContact O-N 2.87Å; R210-L213 PolarHBondContact O-N 3.2Å; L213-R215 VanDerWaalsContact C-N 3.32Å; L213-Q216 PolarHBondContact O-N 3.44Å; L213-Q217 VanDerWaalsContact O-CG 3.31Å; L213-Q217 WeakPolarHBondContact O-CG 3.47Å; L213-Q217 PolarHBondContact O-N 3.13Å |
| 214 | Q | 81.3 | Confident | 80.6 | Confident | 136 Ų | 136 | 103 Ų | 103 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.3 | -37 | 175.9 | -168.3 | 176.5 | 5.6 | 0 | 0 | 111.5 | R210 K211 E212 W218 | R210-Q214 PolarHBondContact O-N 2.94Å; K211-Q214 PolarHBondContact O-N 2.92Å; E212-Q214 VanDerWaalsContact C-N 3.33Å; E212-Q214 PolarHBondContact O-N 3.08Å; Q214-W218 WeakPolarHBondContact O-CB 3.33Å; Q214-W218 PolarHBondContact O-N 3.46Å |
| 215 | R | 86.3 | Confident | 81.3 | Confident | 134 Ų | 134 | 100.4 Ų | 100.4 | 51% | 0.506 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 171.9 | -176.1 | -163 | -55.3 | -74.7 | -4.8 | 111.1 | K211 E212 L213 Q217 W218 E219 | K211-R215 WeakPolarHBondContact O-CB 3.48Å; K211-R215 PolarHBondContact O-N 2.91Å; E212-R215 WeakPolarHBondContact O-CB 3.39Å; E212-R215 PolarHBondContact O-N 3.26Å; E212-R215 IonicContact OE2-CZ 3.15Å; E212-R215 IonicContact OE2-NE 3.83Å; E212-R215 PolarHBondContact OE2-NE 2.85Å; L213-R215 VanDerWaalsContact C-N 3.32Å; R215-Q217 VanDerWaalsContact C-N 3.34Å; R215-Q217 PolarHBondContact O-N 3.42Å; R215-W218 WeakPolarHBondContact O-CB 3.46Å; R215-W218 PolarHBondContact O-N 3.46Å; R215-W218 VanDerWaalsContact O-N 3.16Å; R215-E219 HydrophobicContact CG-CG 4.43Å; R215-E219 WeakPolarHBondContact O-CG 3.41Å; R215-E219 PolarHBondContact O-N 3.37Å |
| 216 | Q | 87.5 | Confident | 81.4 | Confident | 82 Ų | 82 | 104.9 Ų | 104.9 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 179.1 | -73.2 | 174.8 | 19.9 | 0 | 0 | 111.6 | E212 L213 W218 E219 E220 | E212-Q216 WeakPolarHBondContact O-CG 3.27Å; E212-Q216 PolarHBondContact O-N 2.86Å; L213-Q216 PolarHBondContact O-N 3.44Å; Q216-W218 VanDerWaalsContact C-N 3.33Å; Q216-W218 PolarHBondContact O-N 2.84Å; Q216-E219 PolarHBondContact O-N 3.28Å; Q216-E220 WeakPolarHBondContact O-CB 3.24Å; Q216-E220 VanDerWaalsContact O-CG 3.3Å; Q216-E220 WeakPolarHBondContact O-CG 3.49Å; Q216-E220 PolarHBondContact O-N 3.01Å |
| 217 | Q | 84.6 | Confident | 81.2 | Confident | 121 Ų | 121 | 109.1 Ų | 109.1 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.3 | -44.8 | 173.3 | -73.5 | 173.3 | -4.9 | 0 | 0 | 111.6 | L213 R215 E220 E221 | L213-Q217 VanDerWaalsContact O-CG 3.31Å; L213-Q217 WeakPolarHBondContact O-CG 3.47Å; L213-Q217 PolarHBondContact O-N 3.13Å; R215-Q217 VanDerWaalsContact C-N 3.34Å; R215-Q217 PolarHBondContact O-N 3.42Å; Q217-E220 PolarHBondContact O-N 2.85Å; Q217-E221 WeakPolarHBondContact O-CB 3.44Å; Q217-E221 PolarHBondContact O-N 3.24Å |
| 218 | W | 83.3 | Confident | 81 | Confident | 166 Ų | 166 | 108.7 Ų | 108.7 | 63% | 0.629 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 175.5 | -170.5 | -77.1 | 0 | 0 | 0 | 112.2 | Q214 R215 Q216 E220 E221 E222 | Q214-W218 WeakPolarHBondContact O-CB 3.33Å; Q214-W218 PolarHBondContact O-N 3.46Å; R215-W218 WeakPolarHBondContact O-CB 3.46Å; R215-W218 PolarHBondContact O-N 3.46Å; R215-W218 VanDerWaalsContact O-N 3.16Å; Q216-W218 VanDerWaalsContact C-N 3.33Å; Q216-W218 PolarHBondContact O-N 2.84Å; W218-E220 VanDerWaalsContact C-N 3.35Å; W218-E221 PolarHBondContact O-N 2.9Å; W218-E222 WeakPolarHBondContact O-CB 3.32Å; W218-E222 WeakPolarHBondContact O-CG 3.35Å; W218-E222 PolarHBondContact O-N 3.43Å |
| 219 | E | 85.8 | Confident | 80.4 | Confident | 87 Ų | 87 | 109.5 Ų | 109.5 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -35.9 | 177.8 | -75.7 | -178.6 | -166.2 | 0 | 0 | 112.7 | R215 Q216 R223 | R215-E219 HydrophobicContact CG-CG 4.43Å; R215-E219 WeakPolarHBondContact O-CG 3.41Å; R215-E219 PolarHBondContact O-N 3.37Å; Q216-E219 PolarHBondContact O-N 3.28Å; E219-R223 WeakPolarHBondContact O-CB 3.44Å; E219-R223 PolarHBondContact O-N 3.39Å |
| 220 | E | 84.3 | Confident | 79.3 | Confident | 116 Ų | 116 | 113.9 Ų | 113.9 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.4 | -44 | 174.3 | -76.8 | 176.8 | 178.2 | 0 | 0 | 111.7 | Q216 Q217 W218 R223 E224 | Q216-E220 WeakPolarHBondContact O-CB 3.24Å; Q216-E220 VanDerWaalsContact O-CG 3.3Å; Q216-E220 WeakPolarHBondContact O-CG 3.49Å; Q216-E220 PolarHBondContact O-N 3.01Å; Q217-E220 PolarHBondContact O-N 2.85Å; W218-E220 VanDerWaalsContact C-N 3.35Å; E220-R223 PolarHBondContact O-N 2.99Å; E220-E224 WeakPolarHBondContact O-CB 3.15Å; E220-E224 PolarHBondContact O-N 3.41Å |
| 221 | E | 79.6 | Confident | 78.7 | Confident | 100 Ų | 100 | 111.2 Ų | 111.2 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 176.2 | -171.3 | 177.9 | -179.5 | 0 | 0 | 111.4 | Q217 W218 R223 E224 A225 | Q217-E221 WeakPolarHBondContact O-CB 3.44Å; Q217-E221 PolarHBondContact O-N 3.24Å; W218-E221 PolarHBondContact O-N 2.9Å; E221-R223 PolarHBondContact O-N 3.16Å; E221-E224 PolarHBondContact O-N 3.13Å; E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 3.49Å |
| 222 | E | 78.3 | Confident | 78.4 | Confident | 98 Ų | 98 | 111.7 Ų | 111.7 | 46% | 0.458 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 173.4 | -80.9 | -71.6 | 147.9 | 0 | 0 | 111.6 | W218 E224 A225 L226 | W218-E222 WeakPolarHBondContact O-CB 3.32Å; W218-E222 WeakPolarHBondContact O-CG 3.35Å; W218-E222 PolarHBondContact O-N 3.43Å; E222-E224 VanDerWaalsContact C-N 3.31Å; E222-E224 PolarHBondContact O-N 3.39Å; E222-A225 PolarHBondContact O-N 3.4Å; E222-L226 WeakPolarHBondContact O-CB 3.34Å; E222-L226 WeakPolarHBondContact O-CG 3.15Å; E222-L226 PolarHBondContact O-N 2.97Å |
| 223 | R | 80.1 | Confident | 78 | Confident | 117 Ų | 117 | 113 Ų | 113 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -36.3 | 176.9 | -172.1 | -176.2 | -62.6 | 111.1 | 1 | 111.5 | E219 E220 E221 K227 | E219-R223 WeakPolarHBondContact O-CB 3.44Å; E219-R223 PolarHBondContact O-N 3.39Å; E220-R223 PolarHBondContact O-N 2.99Å; E221-R223 PolarHBondContact O-N 3.16Å; R223-K227 WeakPolarHBondContact O-CB 3.36Å; R223-K227 VanDerWaalsContact O-CG 3.26Å; R223-K227 WeakPolarHBondContact O-CG 3.36Å; R223-K227 PolarHBondContact O-N 3.39Å |
| 224 | E | 77.5 | Confident | 77.9 | Confident | 102 Ų | 102 | 112.2 Ų | 112.2 | 48% | 0.477 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.8 | -40.1 | 175.4 | -156.5 | -169.3 | 169.4 | 0 | 0 | 111.3 | E220 E221 E222 L226 K227 R228 | E220-E224 WeakPolarHBondContact O-CB 3.15Å; E220-E224 PolarHBondContact O-N 3.41Å; E221-E224 PolarHBondContact O-N 3.13Å; E222-E224 VanDerWaalsContact C-N 3.31Å; E222-E224 PolarHBondContact O-N 3.39Å; E224-L226 VanDerWaalsContact C-N 3.33Å; E224-L226 PolarHBondContact O-N 3.2Å; E224-K227 PolarHBondContact O-N 3Å; E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 3.4Å; E224-R228 IonicContact OE1-CZ 2.74Å; E224-R228 IonicContact OE1-NE 2.75Å; E224-R228 IonicContact OE1-NH2 3.44Å; E224-R228 PolarHBondContact OE1-NH2 3.04Å; E224-R228 IonicContact OE2-CZ 3.99Å; E224-R228 IonicContact OE2-NH1 2.83Å; E224-R228 IonicContact OE2-NH2 3.77Å; E224-R228 PolarHBondContact OE2-NH2 3.13Å |
| 225 | A | 73.8 | Confident | 78 | Confident | 43 Ų | 43 | 109.8 Ų | 109.8 | 36% | 0.355 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | E221 E222 R228 | E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 3.49Å; E222-A225 PolarHBondContact O-N 3.4Å; A225-R228 PolarHBondContact O-N 3.27Å |
| 226 | L | 72.4 | Confident | 78 | Confident | 135 Ų | 135 | 104 Ų | 104 | 71% | 0.707 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.2 | -32.5 | 173.9 | -74.3 | 166.3 | 0 | 0 | 0 | 113.2 | E222 E224 | E222-L226 WeakPolarHBondContact O-CB 3.34Å; E222-L226 WeakPolarHBondContact O-CG 3.15Å; E222-L226 PolarHBondContact O-N 2.97Å; E224-L226 VanDerWaalsContact C-N 3.33Å; E224-L226 PolarHBondContact O-N 3.2Å |
| 227 | K | 74.6 | Confident | 77.7 | Confident | 162 Ų | 162 | 103.6 Ų | 103.6 | 70% | 0.704 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.7 | -29.3 | 174.2 | -79.9 | 174.7 | -179.9 | -180 | 0 | 112.3 | R223 E224 | R223-K227 WeakPolarHBondContact O-CB 3.36Å; R223-K227 VanDerWaalsContact O-CG 3.26Å; R223-K227 WeakPolarHBondContact O-CG 3.36Å; R223-K227 PolarHBondContact O-N 3.39Å; E224-K227 PolarHBondContact O-N 3Å |
| 228 | R | 73.4 | Confident | 77.6 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 46% | 0.464 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -64.7 | 127.5 | 175 | -75.1 | 174.2 | -169.3 | 120.7 | 0.1 | 108.3 | E224 A225 M230 | E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 3.4Å; E224-R228 IonicContact OE1-CZ 2.74Å; E224-R228 IonicContact OE1-NE 2.75Å; E224-R228 IonicContact OE1-NH2 3.44Å; E224-R228 PolarHBondContact OE1-NH2 3.04Å; E224-R228 IonicContact OE2-CZ 3.99Å; E224-R228 IonicContact OE2-NH1 2.83Å; E224-R228 IonicContact OE2-NH2 3.77Å; E224-R228 PolarHBondContact OE2-NH2 3.13Å; A225-R228 PolarHBondContact O-N 3.27Å; R228-M230 PolarHBondContact O-N 3.23Å; R228-M230 VanDerWaalsContact O-N 3.11Å |
| 229 | P | 69.4 | Low | 77.5 | Confident | 125 Ų | 125 | 99.5 Ų | 99.5 | 81% | 0.812 | 50% | 0.502 | S | S | * | . | trans | -59.3 | 122.6 | -179.8 | 23.7 | -32.3 | 0 | 0 | 0 | 108.9 | G231 | P229-G231 VanDerWaalsContact C-N 3.35Å; P229-G231 PolarHBondContact O-N 3.37Å | ||
| 230 | M | 58 | Low | 77.1 | Confident | 185 Ų | 185 | 101.8 Ų | 101.8 | 91% | 0.911 | 51% | 0.513 | S | S | * | . | trans | -56.4 | 95.6 | 179.5 | -68.7 | -70.8 | -77.1 | 0 | 0 | 109.8 | R228 | R228-M230 PolarHBondContact O-N 3.23Å; R228-M230 VanDerWaalsContact O-N 3.11Å | ||
| 231 | G | 68.8 | Low | 76.6 | Confident | 43 Ų | 43 | 102.7 Ų | 102.7 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | trans | -125.7 | 176.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | P229 V233 | P229-G231 VanDerWaalsContact C-N 3.35Å; P229-G231 PolarHBondContact O-N 3.37Å; G231-V233 PolarHBondContact O-N 3Å | ||
| 232 | P | 78.2 | Confident | 76.7 | Confident | 122 Ų | 122 | 100.6 Ų | 100.6 | 79% | 0.792 | 51% | 0.512 | S | S | * | . | trans | -57 | 110.7 | 173.4 | -20.9 | 31.9 | 0 | 0 | 0 | 109.8 | ||||
| 233 | V | 75.4 | Confident | 76.5 | Confident | 104 Ų | 104 | 101.3 Ų | 101.3 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | trans | -66.2 | 132.4 | -179 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | G231 D237 I238 | G231-V233 PolarHBondContact O-N 3Å; V233-D237 HydrophobicContact CG1-CB 4.19Å; V233-I238 HydrophobicContact CG1-CD1 3.61Å; V233-I238 HydrophobicContact CG1-CG1 3.74Å | ||
| 234 | H | 83.2 | Confident | 76.7 | Confident | 55 Ų | 55 | 105.1 Ų | 105.1 | 26% | 0.255 | 55% | 0.549 | S | S | . | . | trans | -96.8 | 153.2 | 177.4 | -177.8 | 69.4 | 0 | 0 | 0 | 111 | E236 D237 R260 | H234-E236 VanDerWaalsContact C-N 3.29Å; H234-E236 PolarHBondContact CD2-N 3.47Å; H234-E236 PolarHBondContact O-N 3.49Å; H234-D237 WeakPolarHBondContact CB-OD2 3.4Å; H234-D237 PolarHBondContact N-OD2 3.2Å; H234-D237 VanDerWaalsContact N-OD2 3.15Å; H234-D237 VanDerWaalsContact O-CB 3.31Å; H234-D237 WeakPolarHBondContact O-CB 3.45Å; H234-D237 PolarHBondContact O-N 3.26Å; H234-R260 PolarHBondContact CD2-NE 3.34Å; H234-R260 PolarHBondContact CD2-NH2 3.2Å; H234-R260 VanDerWaalsContact CG-NH1 3.34Å | ||
| 235 | Y | 83.8 | Confident | 77 | Confident | 86 Ų | 86 | 109.5 Ų | 109.5 | 34% | 0.337 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57 | -39.5 | -176.4 | 178.8 | -105.9 | 0 | 0 | 0 | 113.4 | D237 I238 R239 E242 L246 Y250 | Y235-D237 PolarHBondContact O-N 3.47Å; Y235-D237 VanDerWaalsContact O-N 3.16Å; Y235-I238 PolarHBondContact O-N 3.01Å; Y235-R239 PolarHBondContact O-N 3.13Å; Y235-E242 WeakPolarHBondContact CE2-OE2 3.35Å; Y235-E242 PolarHBondContact OH-OE1 2.9Å; Y235-E242 PolarHBondContact OH-OE2 3.24Å; Y235-L246 HydrophobicContact CE1-CD2 4Å; Y235-L246 VanDerWaalsContact OH-CD2 3.29Å; Y235-L246 WeakPolarHBondContact OH-CD2 3.48Å; Y235-Y250 AromaticContact CD1-CE2 3.82Å; Y235-Y250 HydrophobicContact CD1-CE2 3.82Å; Y235-Y250 HydrophobicContact CE1-CD2 4.46Å; Y235-Y250 AromaticContact CE1-CE2 3.53Å; Y235-Y250 HydrophobicContact CE1-CE2 3.53Å |
| 236 | E | 85.6 | Confident | 77.5 | Confident | 11 Ų | 11 | 110.1 Ų | 110.1 | 5% | 0.051 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -60.2 | -25.1 | 175.9 | -162.6 | 70.5 | -147.8 | 0 | 0 | 113.1 | H234 I238 R239 Y250 F253 R255 | H234-E236 VanDerWaalsContact C-N 3.29Å; H234-E236 PolarHBondContact CD2-N 3.47Å; H234-E236 PolarHBondContact O-N 3.49Å; E236-I238 VanDerWaalsContact C-N 3.31Å; E236-R239 WeakPolarHBondContact OE1-CD 3.06Å; E236-R239 IonicContact OE1-CZ 3.59Å; E236-R239 IonicContact OE1-NE 2.7Å; E236-R239 IonicContact OE1-NH1 3.95Å; E236-R239 PolarHBondContact OE1-NH1 3.48Å; E236-R239 IonicContact OE2-NH1 3.73Å; E236-Y250 PolarHBondContact OE2-OH 2.85Å; E236-F253 WeakPolarHBondContact CG-O 3.48Å; E236-R255 HydrophobicContact CG-CG 4.21Å |
| 237 | D | 81.7 | Confident | 78.2 | Confident | 75 Ų | 75 | 106.4 Ų | 106.4 | 40% | 0.401 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -78.5 | -17.7 | -179.6 | -49.5 | -34.7 | 0 | 0 | 0 | 111.9 | V233 H234 Y235 R260 | V233-D237 HydrophobicContact CG1-CB 4.19Å; H234-D237 WeakPolarHBondContact CB-OD2 3.4Å; H234-D237 PolarHBondContact N-OD2 3.2Å; H234-D237 VanDerWaalsContact N-OD2 3.15Å; H234-D237 VanDerWaalsContact O-CB 3.31Å; H234-D237 WeakPolarHBondContact O-CB 3.45Å; H234-D237 PolarHBondContact O-N 3.26Å; Y235-D237 PolarHBondContact O-N 3.47Å; Y235-D237 VanDerWaalsContact O-N 3.16Å; D237-R260 IonicContact OD1-NH2 3.74Å; D237-R260 PolarHBondContact OD1-NH2 3.47Å; D237-R260 IonicContact OD2-NH2 3.75Å |
| 238 | I | 81.9 | Confident | 78.9 | Confident | 100 Ų | 100 | 106.2 Ų | 106.2 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -110.2 | -6.9 | 178.1 | -50.8 | 170.3 | 0 | 0 | 0 | 111 | V233 Y235 E236 E240 N241 | V233-I238 HydrophobicContact CG1-CD1 3.61Å; V233-I238 HydrophobicContact CG1-CG1 3.74Å; Y235-I238 PolarHBondContact O-N 3.01Å; E236-I238 VanDerWaalsContact C-N 3.31Å; I238-E240 VanDerWaalsContact C-N 3.26Å; I238-E240 PolarHBondContact O-N 3.44Å; I238-E240 VanDerWaalsContact O-N 3.15Å; I238-N241 PolarHBondContact O-N 3.16Å; I238-N241 VanDerWaalsContact O-N 3.16Å |
| 239 | R | 82.3 | Confident | 79.5 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 38% | 0.377 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -56 | -35.6 | -171.7 | 179.5 | -174.1 | 173.7 | -155.8 | -5.3 | 114 | Y235 E236 N241 E242 | Y235-R239 PolarHBondContact O-N 3.13Å; E236-R239 WeakPolarHBondContact OE1-CD 3.06Å; E236-R239 IonicContact OE1-CZ 3.59Å; E236-R239 IonicContact OE1-NE 2.7Å; E236-R239 IonicContact OE1-NH1 3.95Å; E236-R239 PolarHBondContact OE1-NH1 3.48Å; E236-R239 IonicContact OE2-NH1 3.73Å; R239-N241 PolarHBondContact O-N 2.87Å; R239-N241 VanDerWaalsContact O-N 3.12Å; R239-E242 WeakPolarHBondContact O-CB 3.3Å; R239-E242 PolarHBondContact O-N 2.84Å |
| 240 | E | 76.7 | Confident | 80.5 | Confident | 136 Ų | 136 | 100.6 Ų | 100.6 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -60.8 | -24.8 | -175.8 | -64.2 | -176.1 | 173.1 | 0 | 0 | 112.4 | I238 R255 | I238-E240 VanDerWaalsContact C-N 3.26Å; I238-E240 PolarHBondContact O-N 3.44Å; I238-E240 VanDerWaalsContact O-N 3.15Å; E240-R255 IonicContact OE1-CZ 3.99Å; E240-R255 VanDerWaalsContact OE1-CZ 3.28Å; E240-R255 IonicContact OE1-NH1 2.92Å; E240-R255 PolarHBondContact OE1-NH1 3.44Å; E240-R255 VanDerWaalsContact OE1-NH1 3.16Å; E240-R255 IonicContact OE1-NH2 3.56Å; E240-R255 PolarHBondContact OE1-NH2 2.94Å |
| 241 | N | 74.9 | Confident | 81.9 | Confident | 135 Ų | 135 | 97.7 Ų | 97.7 | 72% | 0.722 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -94.9 | 8.6 | 178.1 | -66.2 | -32 | 0 | 0 | 0 | 113.6 | I238 R239 | I238-N241 PolarHBondContact O-N 3.16Å; I238-N241 VanDerWaalsContact O-N 3.16Å; R239-N241 PolarHBondContact O-N 2.87Å; R239-N241 VanDerWaalsContact O-N 3.12Å |
| 242 | E | 80.7 | Confident | 83 | Confident | 56 Ų | 56 | 98.1 Ų | 98.1 | 26% | 0.262 | 54% | 0.539 | S | S | . | . | trans | -97.9 | 118.5 | -175.9 | -172.9 | 167.1 | -177.4 | 0 | 0 | 113.7 | Y235 R239 R244 | Y235-E242 WeakPolarHBondContact CE2-OE2 3.35Å; Y235-E242 PolarHBondContact OH-OE1 2.9Å; Y235-E242 PolarHBondContact OH-OE2 3.24Å; R239-E242 WeakPolarHBondContact O-CB 3.3Å; R239-E242 PolarHBondContact O-N 2.84Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 HydrophobicContact CG-CB 3.92Å; E242-R244 HydrophobicContact CG-CG 4.22Å; E242-R244 PolarHBondContact O-N 3.18Å; E242-R244 WeakPolarHBondContact OE1-CD 3.27Å | ||
| 243 | A | 74.5 | Confident | 83.5 | Confident | 112 Ų | 112 | 94.1 Ų | 94.1 | 93% | 0.926 | 51% | 0.509 | S | S | * | . | trans | -80 | -1.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 244 | R | 84.9 | Confident | 84.2 | Confident | 198 Ų | 198 | 90.3 Ų | 90.3 | 75% | 0.747 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -87.4 | 139.8 | -176.4 | -62.2 | -177.5 | -174.5 | 159 | 2.4 | 111.1 | E242 | E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 HydrophobicContact CG-CB 3.92Å; E242-R244 HydrophobicContact CG-CG 4.22Å; E242-R244 PolarHBondContact O-N 3.18Å; E242-R244 WeakPolarHBondContact OE1-CD 3.27Å |
| 245 | Q | 82.9 | Confident | 84.3 | Confident | 194 Ų | 194 | 94.2 Ų | 94.2 | 91% | 0.907 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 126.1 | 172.5 | -169.3 | 165.9 | 5.1 | 0 | 0 | 110.5 | ||
| 246 | L | 84.6 | Confident | 84.6 | Confident | 56 Ų | 56 | 95.1 Ų | 95.1 | 29% | 0.293 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 133.8 | 176.4 | -69.7 | 164.5 | 0 | 0 | 0 | 110.1 | Y235 Y250 | Y235-L246 HydrophobicContact CE1-CD2 4Å; Y235-L246 VanDerWaalsContact OH-CD2 3.29Å; Y235-L246 WeakPolarHBondContact OH-CD2 3.48Å; L246-Y250 HydrophobicContact CB-CD1 4.21Å; L246-Y250 HydrophobicContact CB-CD2 4.47Å; L246-Y250 HydrophobicContact CB-CG 3.94Å; L246-Y250 HydrophobicContact CD1-CD1 3.65Å; L246-Y250 HydrophobicContact CD1-CD2 4.04Å; L246-Y250 HydrophobicContact CD1-CE1 3.54Å; L246-Y250 HydrophobicContact CD1-CE2 3.93Å; L246-Y250 HydrophobicContact CD1-CG 3.87Å; L246-Y250 HydrophobicContact CD2-CD2 3.55Å; L246-Y250 HydrophobicContact CD2-CE2 3.86Å; L246-Y250 HydrophobicContact CD2-CG 3.89Å; L246-Y250 HydrophobicContact CG-CD1 4.34Å; L246-Y250 HydrophobicContact CG-CD2 4.22Å; L246-Y250 HydrophobicContact CG-CE2 4.48Å; L246-Y250 HydrophobicContact CG-CG 4.11Å |
| 247 | G | 87.8 | Confident | 84.6 | Confident | 57 Ų | 57 | 101 Ų | 101 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | trans | -79.7 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G249 Y250 | G247-G249 PolarHBondContact O-N 3.02Å; G247-Y250 VanDerWaalsContact O-CB 3.31Å; G247-Y250 WeakPolarHBondContact O-CB 3.42Å; G247-Y250 PolarHBondContact O-N 3Å | ||
| 248 | V | 87.4 | Confident | 85 | Confident | 157 Ų | 157 | 104.2 Ų | 104.2 | 95% | 0.952 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -20.3 | -178.1 | -175.9 | 0 | 0 | 0 | 0 | 113.7 | Y250 | V248-Y250 VanDerWaalsContact C-N 3.29Å; V248-Y250 PolarHBondContact O-N 3.05Å |
| 249 | G | 86.7 | Confident | 85.5 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G247 | G247-G249 PolarHBondContact O-N 3.02Š|
| 250 | Y | 89.7 | Confident | 85.9 | Confident | 61 Ų | 61 | 99.6 Ų | 99.6 | 24% | 0.239 | 53% | 0.532 | C | S | . | . | trans | -81 | 135.2 | 180 | -176.1 | -103.2 | 0 | 0 | 0 | 112.1 | Y235 E236 L246 G247 V248 A252 | Y235-Y250 AromaticContact CD1-CE2 3.82Å; Y235-Y250 HydrophobicContact CD1-CE2 3.82Å; Y235-Y250 HydrophobicContact CE1-CD2 4.46Å; Y235-Y250 AromaticContact CE1-CE2 3.53Å; Y235-Y250 HydrophobicContact CE1-CE2 3.53Å; E236-Y250 PolarHBondContact OE2-OH 2.85Å; L246-Y250 HydrophobicContact CB-CD1 4.21Å; L246-Y250 HydrophobicContact CB-CD2 4.47Å; L246-Y250 HydrophobicContact CB-CG 3.94Å; L246-Y250 HydrophobicContact CD1-CD1 3.65Å; L246-Y250 HydrophobicContact CD1-CD2 4.04Å; L246-Y250 HydrophobicContact CD1-CE1 3.54Å; L246-Y250 HydrophobicContact CD1-CE2 3.93Å; L246-Y250 HydrophobicContact CD1-CG 3.87Å; L246-Y250 HydrophobicContact CD2-CD2 3.55Å; L246-Y250 HydrophobicContact CD2-CE2 3.86Å; L246-Y250 HydrophobicContact CD2-CG 3.89Å; L246-Y250 HydrophobicContact CG-CD1 4.34Å; L246-Y250 HydrophobicContact CG-CD2 4.22Å; L246-Y250 HydrophobicContact CG-CE2 4.48Å; L246-Y250 HydrophobicContact CG-CG 4.11Å; G247-Y250 VanDerWaalsContact O-CB 3.31Å; G247-Y250 WeakPolarHBondContact O-CB 3.42Å; G247-Y250 PolarHBondContact O-N 3Å; V248-Y250 VanDerWaalsContact C-N 3.29Å; V248-Y250 PolarHBondContact O-N 3.05Å; Y250-A252 HydrophobicContact CD1-CB 4.44Å; Y250-A252 HydrophobicContact CE1-CB 3.74Å | ||
| 251 | F | 89.3 | Confident | 86.6 | Confident | 123 Ų | 123 | 96.7 Ų | 96.7 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | trans | -118.1 | 119.5 | 170.8 | -68.8 | -82.6 | 0 | 0 | 0 | 109.3 | F253 | F251-F253 HydrophobicContact CB-CD2 4.47Å; F251-F253 HydrophobicContact CB-CE1 4.23Å; F251-F253 HydrophobicContact CB-CE2 3.85Å; F251-F253 HydrophobicContact CB-CZ 3.7Å; F251-F253 HydrophobicContact CG-CZ 4.46Å; F251-F253 WeakPolarHBondContact O-CD2 3.32Å; F251-F253 PolarHBondContact O-N 3.4Å | ||
| 252 | A | 89.9 | Confident | 87.6 | Confident | 53 Ų | 53 | 96.1 Ų | 96.1 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | trans | -80.9 | 94.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y250 | Y250-A252 HydrophobicContact CD1-CB 4.44Å; Y250-A252 HydrophobicContact CE1-CB 3.74Å | ||
| 253 | F | 90.4 | Very high | 88.2 | Confident | 37 Ų | 37 | 95.6 Ų | 95.6 | 16% | 0.162 | 51% | 0.509 | C | S | . | . | trans | -79.3 | 163.4 | 177.7 | -63.8 | -68 | 0 | 0 | 0 | 111.9 | E236 F251 R260 Q263 M264 L267 | E236-F253 WeakPolarHBondContact CG-O 3.48Å; F251-F253 HydrophobicContact CB-CD2 4.47Å; F251-F253 HydrophobicContact CB-CE1 4.23Å; F251-F253 HydrophobicContact CB-CE2 3.85Å; F251-F253 HydrophobicContact CB-CZ 3.7Å; F251-F253 HydrophobicContact CG-CZ 4.46Å; F251-F253 WeakPolarHBondContact O-CD2 3.32Å; F251-F253 PolarHBondContact O-N 3.4Å; F253-R260 HydrophobicContact CB-CB 4.4Å; F253-R260 HydrophobicContact CB-CG 3.8Å; F253-R260 HydrophobicContact CG-CG 4.28Å; F253-Q263 HydrophobicContact CD1-CB 3.62Å; F253-Q263 HydrophobicContact CD1-CG 4.43Å; F253-Q263 HydrophobicContact CE1-CB 3.94Å; F253-M264 HydrophobicContact CD2-SD 4.21Å; F253-M264 HydrophobicContact CE1-SD 3.91Å; F253-M264 HydrophobicContact CE2-SD 3.5Å; F253-M264 VanDerWaalsContact CE2-SD 3.5Å; F253-M264 HydrophobicContact CZ-CG 4.45Å; F253-M264 HydrophobicContact CZ-SD 3.33Å; F253-M264 WeakPolarHBondContact CZ-SD 3.42Å; F253-L267 HydrophobicContact CE1-CD1 3.53Å; F253-L267 HydrophobicContact CZ-CD1 3.4Å; F253-L267 VanDerWaalsContact CZ-CD1 3.4Å | ||
| 254 | A | 90.3 | Very high | 89.1 | Confident | 24 Ų | 24 | 94.4 Ų | 94.4 | 20% | 0.198 | 49% | 0.485 | C | S | . | . | trans | -60.2 | 148.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D256 L259 R260 | A254-D256 VanDerWaalsContact C-N 3.26Å; A254-L259 HydrophobicContact CB-CB 3.73Å; A254-L259 HydrophobicContact CB-CD1 4.47Å; A254-R260 PolarHBondContact O-NE 3.04Å; A254-R260 PolarHBondContact O-NH2 3.17Å | ||
| 255 | R | 85.1 | Confident | 89.6 | Confident | 138 Ų | 138 | 91.9 Ų | 91.9 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -65.8 | -32.7 | 170.1 | -65.6 | -179.1 | -169.6 | 174.8 | 3.4 | 111.3 | E236 E240 K257 R260 | E236-R255 HydrophobicContact CG-CG 4.21Å; E240-R255 IonicContact OE1-CZ 3.99Å; E240-R255 VanDerWaalsContact OE1-CZ 3.28Å; E240-R255 IonicContact OE1-NH1 2.92Å; E240-R255 PolarHBondContact OE1-NH1 3.44Å; E240-R255 VanDerWaalsContact OE1-NH1 3.16Å; E240-R255 IonicContact OE1-NH2 3.56Å; E240-R255 PolarHBondContact OE1-NH2 2.94Å; R255-K257 PolarHBondContact O-N 3.36Å; R255-R260 PolarHBondContact O-NH2 3.08Å |
| 256 | D | 88.6 | Confident | 90.2 | Very high | 104 Ų | 104 | 86 Ų | 86 | 56% | 0.556 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -68.6 | 121.8 | 175.6 | -65.1 | -28.5 | 0 | 0 | 0 | 111.9 | A254 E258 L259 R260 | A254-D256 VanDerWaalsContact C-N 3.26Å; D256-E258 VanDerWaalsContact C-N 3.27Å; D256-E258 PolarHBondContact O-N 3.36Å; D256-L259 HydrophobicContact CB-CB 4.15Å; D256-L259 HydrophobicContact CB-CD1 4.06Å; D256-L259 HydrophobicContact CB-CG 4.14Å; D256-L259 PolarHBondContact O-N 2.98Å; D256-R260 WeakPolarHBondContact O-CB 3.47Å; D256-R260 PolarHBondContact O-N 3.05Å |
| 257 | K | 86.2 | Confident | 90.7 | Very high | 136 Ų | 136 | 86.2 Ų | 86.2 | 59% | 0.591 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -55.6 | -39.7 | -177.7 | -174.5 | 177.8 | -178.7 | -179.6 | 0 | 113 | R255 N261 | R255-K257 PolarHBondContact O-N 3.36Å; K257-N261 WeakPolarHBondContact O-CB 3.48Å; K257-N261 PolarHBondContact O-N 3.11Å; K257-N261 PolarHBondContact O-ND2 2.85Å |
| 258 | E | 90.2 | Very high | 91.1 | Very high | 142 Ų | 142 | 87.2 Ų | 87.2 | 66% | 0.664 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -70.8 | -44.4 | -178.7 | -63.6 | -168.7 | 174.3 | 0 | 0 | 112.6 | D256 N261 K262 | D256-E258 VanDerWaalsContact C-N 3.27Å; D256-E258 PolarHBondContact O-N 3.36Å; E258-N261 PolarHBondContact O-N 3.11Å; E258-K262 WeakPolarHBondContact O-CG 3.38Å; E258-K262 PolarHBondContact O-N 2.61Å |
| 259 | L | 91.8 | Very high | 91.5 | Very high | 80 Ų | 80 | 85 Ų | 85 | 42% | 0.419 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 177.4 | -67.2 | 179.6 | 0 | 0 | 0 | 110.5 | A254 D256 N261 K262 Q263 | A254-L259 HydrophobicContact CB-CB 3.73Å; A254-L259 HydrophobicContact CB-CD1 4.47Å; D256-L259 HydrophobicContact CB-CB 4.15Å; D256-L259 HydrophobicContact CB-CD1 4.06Å; D256-L259 HydrophobicContact CB-CG 4.14Å; D256-L259 PolarHBondContact O-N 2.98Å; L259-N261 VanDerWaalsContact C-N 3.34Å; L259-N261 PolarHBondContact O-N 3.44Å; L259-K262 WeakPolarHBondContact O-CB 3.49Å; L259-K262 PolarHBondContact O-N 3.26Å; L259-K262 VanDerWaalsContact O-N 3.14Å; L259-Q263 WeakPolarHBondContact O-CG 3.48Å; L259-Q263 PolarHBondContact O-N 2.95Å |
| 260 | R | 90.7 | Very high | 92 | Very high | 23 Ų | 23 | 86 Ų | 86 | 9% | 0.087 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 172.6 | -178.6 | -173.7 | -50.2 | 148.5 | -5.1 | 112.2 | H234 D237 F253 A254 R255 D256 K262 Q263 M264 | H234-R260 PolarHBondContact CD2-NE 3.34Å; H234-R260 PolarHBondContact CD2-NH2 3.2Å; H234-R260 VanDerWaalsContact CG-NH1 3.34Å; D237-R260 IonicContact OD1-NH2 3.74Å; D237-R260 PolarHBondContact OD1-NH2 3.47Å; D237-R260 IonicContact OD2-NH2 3.75Å; F253-R260 HydrophobicContact CB-CB 4.4Å; F253-R260 HydrophobicContact CB-CG 3.8Å; F253-R260 HydrophobicContact CG-CG 4.28Å; A254-R260 PolarHBondContact O-NE 3.04Å; A254-R260 PolarHBondContact O-NH2 3.17Å; R255-R260 PolarHBondContact O-NH2 3.08Å; D256-R260 WeakPolarHBondContact O-CB 3.47Å; D256-R260 PolarHBondContact O-N 3.05Å; R260-K262 VanDerWaalsContact C-N 3.28Å; R260-K262 PolarHBondContact O-N 3.4Å; R260-Q263 WeakPolarHBondContact O-CB 3.38Å; R260-Q263 PolarHBondContact O-N 3.02Å; R260-M264 HydrophobicContact CG-CG 4.48Å; R260-M264 WeakPolarHBondContact O-CB 3.48Å; R260-M264 WeakPolarHBondContact O-CG 3.47Å; R260-M264 PolarHBondContact O-N 3.32Å |
| 261 | N | 92 | Very high | 92.2 | Very high | 74 Ų | 74 | 90.6 Ų | 90.6 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 178.3 | -76.2 | -19.5 | 0 | 0 | 0 | 112 | K257 E258 L259 K265 | K257-N261 WeakPolarHBondContact O-CB 3.48Å; K257-N261 PolarHBondContact O-N 3.11Å; K257-N261 PolarHBondContact O-ND2 2.85Å; E258-N261 PolarHBondContact O-N 3.11Å; L259-N261 VanDerWaalsContact C-N 3.34Å; L259-N261 PolarHBondContact O-N 3.44Å; N261-K265 WeakPolarHBondContact O-CB 3.27Å; N261-K265 VanDerWaalsContact O-CG 3.23Å; N261-K265 WeakPolarHBondContact O-CG 3.39Å; N261-K265 PolarHBondContact O-N 3.49Å |
| 262 | K | 95.9 | Very high | 92.6 | Very high | 124 Ų | 124 | 89.8 Ų | 89.8 | 54% | 0.539 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 172.8 | -69.6 | 168.6 | -176 | 171.8 | 0 | 110.6 | E258 L259 R260 M264 K265 T266 | E258-K262 WeakPolarHBondContact O-CG 3.38Å; E258-K262 PolarHBondContact O-N 2.61Å; L259-K262 WeakPolarHBondContact O-CB 3.49Å; L259-K262 PolarHBondContact O-N 3.26Å; L259-K262 VanDerWaalsContact O-N 3.14Å; R260-K262 VanDerWaalsContact C-N 3.28Å; R260-K262 PolarHBondContact O-N 3.4Å; K262-M264 VanDerWaalsContact C-N 3.35Å; K262-M264 PolarHBondContact O-N 3.17Å; K262-K265 PolarHBondContact O-N 3.43Å; K262-T266 WeakPolarHBondContact O-CG2 3.34Å; K262-T266 PolarHBondContact O-N 2.85Å; K262-T266 PolarHBondContact O-OG1 3.28Å |
| 263 | Q | 93.4 | Very high | 92.9 | Very high | 44 Ų | 44 | 92.1 Ų | 92.1 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58 | -45.5 | 176.7 | -68.4 | 168 | -25.3 | 0 | 0 | 111.7 | F253 L259 R260 K265 T266 L267 | F253-Q263 HydrophobicContact CD1-CB 3.62Å; F253-Q263 HydrophobicContact CD1-CG 4.43Å; F253-Q263 HydrophobicContact CE1-CB 3.94Å; L259-Q263 WeakPolarHBondContact O-CG 3.48Å; L259-Q263 PolarHBondContact O-N 2.95Å; R260-Q263 WeakPolarHBondContact O-CB 3.38Å; R260-Q263 PolarHBondContact O-N 3.02Å; Q263-K265 PolarHBondContact O-N 3.23Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.5Å; Q263-T266 PolarHBondContact O-N 3.35Å; Q263-T266 PolarHBondContact O-OG1 3.01Å; Q263-L267 PolarHBondContact O-N 3.27Å |
| 264 | M | 92.8 | Very high | 93.2 | Very high | 87 Ų | 87 | 94.8 Ų | 94.8 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.7 | -74.9 | -59.8 | -59.8 | 0 | 0 | 112.5 | F253 R260 K262 T266 L267 E268 | F253-M264 HydrophobicContact CD2-SD 4.21Å; F253-M264 HydrophobicContact CE1-SD 3.91Å; F253-M264 HydrophobicContact CE2-SD 3.5Å; F253-M264 VanDerWaalsContact CE2-SD 3.5Å; F253-M264 HydrophobicContact CZ-CG 4.45Å; F253-M264 HydrophobicContact CZ-SD 3.33Å; F253-M264 WeakPolarHBondContact CZ-SD 3.42Å; R260-M264 HydrophobicContact CG-CG 4.48Å; R260-M264 WeakPolarHBondContact O-CB 3.48Å; R260-M264 WeakPolarHBondContact O-CG 3.47Å; R260-M264 PolarHBondContact O-N 3.32Å; K262-M264 VanDerWaalsContact C-N 3.35Å; K262-M264 PolarHBondContact O-N 3.17Å; M264-T266 VanDerWaalsContact C-N 3.3Å; M264-T266 PolarHBondContact O-N 3.08Å; M264-L267 PolarHBondContact O-N 2.96Å; M264-E268 PolarHBondContact O-N 2.96Å |
| 265 | K | 96.4 | Very high | 93.5 | Very high | 146 Ų | 146 | 96.7 Ų | 96.7 | 64% | 0.635 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.8 | -40.6 | 175.5 | -75.6 | 172.5 | -177.8 | -177.5 | 0 | 111.7 | N261 K262 Q263 E268 M269 | N261-K265 WeakPolarHBondContact O-CB 3.27Å; N261-K265 VanDerWaalsContact O-CG 3.23Å; N261-K265 WeakPolarHBondContact O-CG 3.39Å; N261-K265 PolarHBondContact O-N 3.49Å; K262-K265 PolarHBondContact O-N 3.43Å; Q263-K265 PolarHBondContact O-N 3.23Å; K265-E268 PolarHBondContact O-N 3.36Å; K265-M269 WeakPolarHBondContact O-CG 3.41Å; K265-M269 PolarHBondContact O-N 3.17Å |
| 266 | T | 95.2 | Very high | 94.1 | Very high | 70 Ų | 70 | 94 Ų | 94 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | K262 Q263 M264 M269 L270 | K262-T266 WeakPolarHBondContact O-CG2 3.34Å; K262-T266 PolarHBondContact O-N 2.85Å; K262-T266 PolarHBondContact O-OG1 3.28Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.5Å; Q263-T266 PolarHBondContact O-N 3.35Å; Q263-T266 PolarHBondContact O-OG1 3.01Å; M264-T266 VanDerWaalsContact C-N 3.3Å; M264-T266 PolarHBondContact O-N 3.08Å; T266-M269 PolarHBondContact O-N 3.1Å; T266-L270 WeakPolarHBondContact O-CG 3.27Å; T266-L270 PolarHBondContact O-N 3.41Å; T266-L270 VanDerWaalsContact O-N 3.12Å |
| 267 | L | 94.9 | Very high | 94.5 | Very high | 60 Ų | 60 | 94.1 Ų | 94.1 | 31% | 0.314 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 175 | -77 | 175.1 | 0 | 0 | 0 | 112.3 | F253 Q263 M264 M269 L270 R271 | F253-L267 HydrophobicContact CE1-CD1 3.53Å; F253-L267 HydrophobicContact CZ-CD1 3.4Å; F253-L267 VanDerWaalsContact CZ-CD1 3.4Å; Q263-L267 PolarHBondContact O-N 3.27Å; M264-L267 PolarHBondContact O-N 2.96Å; L267-M269 VanDerWaalsContact C-N 3.33Å; L267-M269 PolarHBondContact O-N 3.37Å; L267-L270 HydrophobicContact CD2-CD1 4.46Å; L267-L270 PolarHBondContact O-N 3.49Å; L267-R271 PolarHBondContact O-N 3.39Å |
| 268 | E | 96.2 | Very high | 94.9 | Very high | 79 Ų | 79 | 96.6 Ų | 96.6 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 176.7 | -164.7 | 61 | -149.2 | 0 | 0 | 111 | M264 K265 L270 R271 E272 | M264-E268 PolarHBondContact O-N 2.96Å; K265-E268 PolarHBondContact O-N 3.36Å; E268-L270 VanDerWaalsContact C-N 3.35Å; E268-L270 PolarHBondContact O-N 3.39Å; E268-R271 WeakPolarHBondContact O-CB 3.2Å; E268-R271 PolarHBondContact O-N 3.42Å; E268-R271 VanDerWaalsContact O-N 3.15Å; E268-R271 IonicContact OE1-NH1 3.69Å; E268-R271 IonicContact OE2-NH1 2.95Å; E268-E272 WeakPolarHBondContact O-CG 3.4Å; E268-E272 PolarHBondContact O-N 2.8Å |
| 269 | M | 96.7 | Very high | 95.2 | Very high | 110 Ų | 110 | 92.8 Ų | 92.8 | 54% | 0.542 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59 | -42.8 | 173 | -74.9 | -175 | 66.4 | 0 | 0 | 112.7 | K265 T266 L267 R271 E272 Q273 | K265-M269 WeakPolarHBondContact O-CG 3.41Å; K265-M269 PolarHBondContact O-N 3.17Å; T266-M269 PolarHBondContact O-N 3.1Å; L267-M269 VanDerWaalsContact C-N 3.33Å; L267-M269 PolarHBondContact O-N 3.37Å; M269-R271 VanDerWaalsContact C-N 3.3Å; M269-R271 PolarHBondContact O-N 3.01Å; M269-E272 PolarHBondContact O-N 3.25Å; M269-Q273 VanDerWaalsContact O-CG 3.29Å; M269-Q273 WeakPolarHBondContact O-CG 3.5Å; M269-Q273 PolarHBondContact O-N 3.29Å |
| 270 | L | 95.7 | Very high | 95.5 | Very high | 91 Ų | 91 | 95 Ų | 95 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 176.4 | -71.8 | 172 | 0 | 0 | 0 | 111.9 | T266 L267 E268 T274 | T266-L270 WeakPolarHBondContact O-CG 3.27Å; T266-L270 PolarHBondContact O-N 3.41Å; T266-L270 VanDerWaalsContact O-N 3.12Å; L267-L270 HydrophobicContact CD2-CD1 4.46Å; L267-L270 PolarHBondContact O-N 3.49Å; E268-L270 VanDerWaalsContact C-N 3.35Å; E268-L270 PolarHBondContact O-N 3.39Å; L270-T274 WeakPolarHBondContact O-CB 3.13Å; L270-T274 PolarHBondContact O-N 3.3Å; L270-T274 PolarHBondContact O-OG1 2.87Å |
| 271 | R | 95.3 | Very high | 95.7 | Very high | 157 Ų | 157 | 102.4 Ų | 102.4 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.7 | -49.9 | 175.6 | -172.3 | -175 | -177.2 | -169.9 | 1.2 | 110.8 | L267 E268 M269 Q273 T274 T275 | L267-R271 PolarHBondContact O-N 3.39Å; E268-R271 WeakPolarHBondContact O-CB 3.2Å; E268-R271 PolarHBondContact O-N 3.42Å; E268-R271 VanDerWaalsContact O-N 3.15Å; E268-R271 IonicContact OE1-NH1 3.69Å; E268-R271 IonicContact OE2-NH1 2.95Å; M269-R271 VanDerWaalsContact C-N 3.3Å; M269-R271 PolarHBondContact O-N 3.01Å; R271-Q273 VanDerWaalsContact C-N 3.34Å; R271-Q273 PolarHBondContact O-N 3.38Å; R271-T274 WeakPolarHBondContact O-CB 3.36Å; R271-T274 PolarHBondContact O-N 2.86Å; R271-T274 VanDerWaalsContact O-N 3.11Å; R271-T275 WeakPolarHBondContact O-CG2 3.42Å; R271-T275 PolarHBondContact O-N 3.35Å; R271-T275 PolarHBondContact O-OG1 2.82Å |
| 272 | E | 97.4 | Very high | 95.9 | Very high | 106 Ų | 106 | 103.6 Ų | 103.6 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 176.9 | -75.2 | 179.3 | 177.1 | 0 | 0 | 111.6 | E268 M269 T274 T275 D276 | E268-E272 WeakPolarHBondContact O-CG 3.4Å; E268-E272 PolarHBondContact O-N 2.8Å; M269-E272 PolarHBondContact O-N 3.25Å; E272-T274 VanDerWaalsContact C-N 3.3Å; E272-T274 PolarHBondContact O-N 2.92Å; E272-T275 VanDerWaalsContact CA-OG1 3.27Å; E272-T275 WeakPolarHBondContact CA-OG1 3.23Å; E272-T275 PolarHBondContact O-N 3.47Å; E272-T275 PolarHBondContact O-OG1 2.84Å; E272-D276 VanDerWaalsContact O-CB 3.28Å; E272-D276 WeakPolarHBondContact O-CB 3.49Å; E272-D276 VanDerWaalsContact O-CG 3.28Å; E272-D276 PolarHBondContact O-N 3.34Å |
| 273 | Q | 96.7 | Very high | 96 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 48% | 0.477 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 175.3 | -74.2 | 177.3 | 2.2 | 0 | 0 | 112.2 | M269 R271 Q277 | M269-Q273 VanDerWaalsContact O-CG 3.29Å; M269-Q273 WeakPolarHBondContact O-CG 3.5Å; M269-Q273 PolarHBondContact O-N 3.29Å; R271-Q273 VanDerWaalsContact C-N 3.34Å; R271-Q273 PolarHBondContact O-N 3.38Å; Q273-Q277 WeakPolarHBondContact O-CB 2.88Å; Q273-Q277 VanDerWaalsContact O-CG 3.27Å; Q273-Q277 WeakPolarHBondContact O-CG 3.31Å; Q273-Q277 PolarHBondContact O-N 3Å |
| 274 | T | 96.1 | Very high | 96.1 | Very high | 93 Ų | 93 | 103.4 Ų | 103.4 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69 | -41.6 | 179.7 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | L270 R271 E272 Q277 R278 | L270-T274 WeakPolarHBondContact O-CB 3.13Å; L270-T274 PolarHBondContact O-N 3.3Å; L270-T274 PolarHBondContact O-OG1 2.87Å; R271-T274 WeakPolarHBondContact O-CB 3.36Å; R271-T274 PolarHBondContact O-N 2.86Å; R271-T274 VanDerWaalsContact O-N 3.11Å; E272-T274 VanDerWaalsContact C-N 3.3Å; E272-T274 PolarHBondContact O-N 2.92Å; T274-Q277 PolarHBondContact O-N 3.48Å; T274-R278 WeakPolarHBondContact O-CB 3.44Å; T274-R278 PolarHBondContact O-N 2.86Å |
| 275 | T | 96.9 | Very high | 96.3 | Very high | 64 Ų | 64 | 107 Ų | 107 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 176.2 | 50.5 | 0 | 0 | 0 | 0 | 111.1 | R271 E272 Q277 R278 T279 | R271-T275 WeakPolarHBondContact O-CG2 3.42Å; R271-T275 PolarHBondContact O-N 3.35Å; R271-T275 PolarHBondContact O-OG1 2.82Å; E272-T275 VanDerWaalsContact CA-OG1 3.27Å; E272-T275 WeakPolarHBondContact CA-OG1 3.23Å; E272-T275 PolarHBondContact O-N 3.47Å; E272-T275 PolarHBondContact O-OG1 2.84Å; T275-Q277 PolarHBondContact O-N 3.14Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.14Å; T275-R278 VanDerWaalsContact O-N 3.11Å; T275-T279 WeakPolarHBondContact O-CG2 3.36Å; T275-T279 PolarHBondContact O-N 3.43Å; T275-T279 PolarHBondContact O-OG1 2.96Å |
| 276 | D | 97 | Very high | 96.3 | Very high | 82 Ų | 82 | 105.1 Ų | 105.1 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.7 | -80.5 | -0.8 | 0 | 0 | 0 | 112.1 | E272 R278 T279 K280 | E272-D276 VanDerWaalsContact O-CB 3.28Å; E272-D276 WeakPolarHBondContact O-CB 3.49Å; E272-D276 VanDerWaalsContact O-CG 3.28Å; E272-D276 PolarHBondContact O-N 3.34Å; D276-R278 VanDerWaalsContact C-N 3.3Å; D276-R278 PolarHBondContact O-N 2.88Å; D276-T279 WeakPolarHBondContact CA-OG1 3.39Å; D276-T279 PolarHBondContact O-OG1 3.34Å; D276-K280 VanDerWaalsContact O-CB 3.26Å; D276-K280 WeakPolarHBondContact O-CB 3.39Å; D276-K280 WeakPolarHBondContact O-CD 3.27Å; D276-K280 WeakPolarHBondContact O-CG 3.42Å; D276-K280 PolarHBondContact O-N 3.36Å |
| 277 | Q | 96.4 | Very high | 96.4 | Very high | 106 Ų | 106 | 108.7 Ų | 108.7 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 173.6 | -74.5 | -178.7 | 28.7 | 0 | 0 | 111.6 | Q273 T274 T275 R281 | Q273-Q277 WeakPolarHBondContact O-CB 2.88Å; Q273-Q277 VanDerWaalsContact O-CG 3.27Å; Q273-Q277 WeakPolarHBondContact O-CG 3.31Å; Q273-Q277 PolarHBondContact O-N 3Å; T274-Q277 PolarHBondContact O-N 3.48Å; T275-Q277 PolarHBondContact O-N 3.14Å; Q277-R281 WeakPolarHBondContact O-CB 3.3Å; Q277-R281 VanDerWaalsContact O-CG 3.29Å; Q277-R281 WeakPolarHBondContact O-CG 3.5Å; Q277-R281 PolarHBondContact O-N 3.15Å |
| 278 | R | 95.6 | Very high | 96.5 | Very high | 189 Ų | 189 | 114.2 Ų | 114.2 | 71% | 0.713 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -47.5 | 177.7 | -173 | 176.1 | 177.5 | 173.7 | -1 | 111.7 | T274 T275 D276 R281 E282 | T274-R278 WeakPolarHBondContact O-CB 3.44Å; T274-R278 PolarHBondContact O-N 2.86Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.14Å; T275-R278 VanDerWaalsContact O-N 3.11Å; D276-R278 VanDerWaalsContact C-N 3.3Å; D276-R278 PolarHBondContact O-N 2.88Å; R278-R281 PolarHBondContact O-N 3.41Å; R278-E282 WeakPolarHBondContact O-CB 3.46Å; R278-E282 PolarHBondContact O-N 2.66Å |
| 279 | T | 96.6 | Very high | 96.5 | Very high | 61 Ų | 61 | 117.4 Ų | 117.4 | 37% | 0.374 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | T275 D276 R281 E282 N283 | T275-T279 WeakPolarHBondContact O-CG2 3.36Å; T275-T279 PolarHBondContact O-N 3.43Å; T275-T279 PolarHBondContact O-OG1 2.96Å; D276-T279 WeakPolarHBondContact CA-OG1 3.39Å; D276-T279 PolarHBondContact O-OG1 3.34Å; T279-R281 PolarHBondContact O-N 3.1Å; T279-E282 PolarHBondContact O-N 2.7Å; T279-N283 VanDerWaalsContact O-CB 3.31Å; T279-N283 WeakPolarHBondContact O-CB 3.43Å; T279-N283 PolarHBondContact O-N 3.35Å; T279-N283 PolarHBondContact O-ND2 2.87Å |
| 280 | K | 96.9 | Very high | 96.5 | Very high | 128 Ų | 128 | 114.8 Ų | 114.8 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.4 | -46.1 | 172.5 | -76 | 168.5 | -174.8 | 170.5 | 0 | 111.8 | D276 E282 N283 I284 | D276-K280 VanDerWaalsContact O-CB 3.26Å; D276-K280 WeakPolarHBondContact O-CB 3.39Å; D276-K280 WeakPolarHBondContact O-CD 3.27Å; D276-K280 WeakPolarHBondContact O-CG 3.42Å; D276-K280 PolarHBondContact O-N 3.36Å; K280-E282 VanDerWaalsContact C-N 3.35Å; K280-N283 PolarHBondContact O-N 3.21Å; K280-I284 WeakPolarHBondContact O-CD1 3.47Å; K280-I284 VanDerWaalsContact O-CG1 3.22Å; K280-I284 WeakPolarHBondContact O-CG1 3.41Å; K280-I284 PolarHBondContact O-N 2.87Å |
| 281 | R | 96.3 | Very high | 96.5 | Very high | 177 Ų | 177 | 116.1 Ų | 116.1 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 176.6 | -74 | 175.1 | -176.7 | -178.8 | 3.9 | 111.8 | Q277 R278 T279 I284 K285 | Q277-R281 WeakPolarHBondContact O-CB 3.3Å; Q277-R281 VanDerWaalsContact O-CG 3.29Å; Q277-R281 WeakPolarHBondContact O-CG 3.5Å; Q277-R281 PolarHBondContact O-N 3.15Å; R278-R281 PolarHBondContact O-N 3.41Å; T279-R281 PolarHBondContact O-N 3.1Å; R281-I284 PolarHBondContact O-N 3.15Å; R281-K285 WeakPolarHBondContact O-CB 3.5Å; R281-K285 PolarHBondContact O-N 2.67Å |
| 282 | E | 96.6 | Very high | 96.4 | Very high | 99 Ų | 99 | 114 Ų | 114 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -49.8 | 176.1 | -174.8 | 166.8 | -156.7 | 0 | 0 | 111.4 | R278 T279 K280 I284 K285 E286 | R278-E282 WeakPolarHBondContact O-CB 3.46Å; R278-E282 PolarHBondContact O-N 2.66Å; T279-E282 PolarHBondContact O-N 2.7Å; K280-E282 VanDerWaalsContact C-N 3.35Å; E282-I284 VanDerWaalsContact C-N 3.3Å; E282-I284 PolarHBondContact O-N 3.33Å; E282-K285 CarbonylContact O-C 3.57Å; E282-K285 WeakPolarHBondContact O-CA 3.48Å; E282-K285 WeakPolarHBondContact O-CB 3.47Å; E282-K285 PolarHBondContact O-N 3.12Å; E282-E286 WeakPolarHBondContact O-CG 3.28Å; E282-E286 PolarHBondContact O-N 2.91Å |
| 283 | N | 96.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 114.6 Ų | 114.6 | 43% | 0.428 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 176.3 | -70.5 | -16.4 | 0 | 0 | 0 | 112.3 | T279 K280 E286 K287 | T279-N283 VanDerWaalsContact O-CB 3.31Å; T279-N283 WeakPolarHBondContact O-CB 3.43Å; T279-N283 PolarHBondContact O-N 3.35Å; T279-N283 PolarHBondContact O-ND2 2.87Å; K280-N283 PolarHBondContact O-N 3.21Å; N283-E286 PolarHBondContact O-N 3.37Å; N283-K287 WeakPolarHBondContact O-CB 3.34Å; N283-K287 WeakPolarHBondContact O-CG 3.35Å; N283-K287 PolarHBondContact O-N 3.23Å |
| 284 | I | 96.1 | Very high | 96.2 | Very high | 85 Ų | 85 | 112.2 Ų | 112.2 | 44% | 0.436 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 174.4 | -68.7 | 163.3 | 0 | 0 | 0 | 110.5 | K280 R281 E282 K287 R288 | K280-I284 WeakPolarHBondContact O-CD1 3.47Å; K280-I284 VanDerWaalsContact O-CG1 3.22Å; K280-I284 WeakPolarHBondContact O-CG1 3.41Å; K280-I284 PolarHBondContact O-N 2.87Å; R281-I284 PolarHBondContact O-N 3.15Å; E282-I284 VanDerWaalsContact C-N 3.3Å; E282-I284 PolarHBondContact O-N 3.33Å; I284-K287 PolarHBondContact O-N 3.22Å; I284-R288 WeakPolarHBondContact O-CG 3.28Å; I284-R288 PolarHBondContact O-N 3.21Å |
| 285 | K | 96.8 | Very high | 96.1 | Very high | 161 Ų | 161 | 116.4 Ų | 116.4 | 70% | 0.7 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 177.2 | -174 | -177.7 | 178.2 | -175.9 | 0 | 111.3 | R281 E282 R288 K289 | R281-K285 WeakPolarHBondContact O-CB 3.5Å; R281-K285 PolarHBondContact O-N 2.67Å; E282-K285 CarbonylContact O-C 3.57Å; E282-K285 WeakPolarHBondContact O-CA 3.48Å; E282-K285 WeakPolarHBondContact O-CB 3.47Å; E282-K285 PolarHBondContact O-N 3.12Å; K285-R288 PolarHBondContact O-N 3.06Å; K285-K289 WeakPolarHBondContact O-CB 3.48Å; K285-K289 PolarHBondContact O-N 2.93Å |
| 286 | E | 96.9 | Very high | 96 | Very high | 107 Ų | 107 | 117.9 Ų | 117.9 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 175.8 | -72.3 | -175 | 168.8 | 0 | 0 | 111.9 | E282 N283 R288 K289 A290 | E282-E286 WeakPolarHBondContact O-CG 3.28Å; E282-E286 PolarHBondContact O-N 2.91Å; N283-E286 PolarHBondContact O-N 3.37Å; E286-R288 VanDerWaalsContact C-N 3.34Å; E286-R288 PolarHBondContact O-N 3.4Å; E286-K289 WeakPolarHBondContact O-CB 3.42Å; E286-K289 PolarHBondContact O-N 2.89Å; E286-K289 VanDerWaalsContact O-N 3.16Å; E286-A290 WeakPolarHBondContact O-CB 3.36Å; E286-A290 PolarHBondContact O-N 2.67Å |
| 287 | K | 97.4 | Very high | 95.8 | Very high | 145 Ų | 145 | 115.9 Ų | 115.9 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.5 | -45.7 | 173.7 | -75 | 173.8 | -177.6 | -175.6 | 0 | 111.6 | N283 I284 K289 A290 I291 | N283-K287 WeakPolarHBondContact O-CB 3.34Å; N283-K287 WeakPolarHBondContact O-CG 3.35Å; N283-K287 PolarHBondContact O-N 3.23Å; I284-K287 PolarHBondContact O-N 3.22Å; K287-K289 PolarHBondContact O-N 2.9Å; K287-A290 PolarHBondContact O-N 3.06Å; K287-I291 WeakPolarHBondContact O-CD1 3.36Å; K287-I291 VanDerWaalsContact O-CG1 3.25Å; K287-I291 WeakPolarHBondContact O-CG1 3.47Å; K287-I291 PolarHBondContact O-N 2.88Å |
| 288 | R | 95.8 | Very high | 95.6 | Very high | 176 Ų | 176 | 118.3 Ų | 118.3 | 66% | 0.664 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.9 | -42.2 | 175.8 | -72.2 | 174.8 | -179.4 | -176.9 | 0.7 | 111.9 | I284 K285 E286 I291 L292 | I284-R288 WeakPolarHBondContact O-CG 3.28Å; I284-R288 PolarHBondContact O-N 3.21Å; K285-R288 PolarHBondContact O-N 3.06Å; E286-R288 VanDerWaalsContact C-N 3.34Å; E286-R288 PolarHBondContact O-N 3.4Å; R288-I291 PolarHBondContact O-N 2.53Å; R288-L292 WeakPolarHBondContact O-CG 3.38Å; R288-L292 PolarHBondContact O-N 3.06Å; R288-L292 VanDerWaalsContact O-N 3.13Å |
| 289 | K | 96.9 | Very high | 95.2 | Very high | 146 Ų | 146 | 114.1 Ų | 114.1 | 64% | 0.635 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 176.8 | -173.6 | -175.5 | 175 | -169.3 | 0 | 111.4 | K285 E286 K287 I291 L292 E293 | K285-K289 WeakPolarHBondContact O-CB 3.48Å; K285-K289 PolarHBondContact O-N 2.93Å; E286-K289 WeakPolarHBondContact O-CB 3.42Å; E286-K289 PolarHBondContact O-N 2.89Å; E286-K289 VanDerWaalsContact O-N 3.16Å; K287-K289 PolarHBondContact O-N 2.9Å; K289-I291 VanDerWaalsContact C-N 3.34Å; K289-I291 PolarHBondContact O-N 2.96Å; K289-L292 PolarHBondContact O-N 3.26Å; K289-E293 WeakPolarHBondContact O-CB 3.39Å; K289-E293 PolarHBondContact O-N 2.96Å |
| 290 | A | 96.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 119.7 Ų | 119.7 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.1 | -39.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E286 K287 E293 A294 | E286-A290 WeakPolarHBondContact O-CB 3.36Å; E286-A290 PolarHBondContact O-N 2.67Å; K287-A290 PolarHBondContact O-N 3.06Å; A290-E293 PolarHBondContact O-N 3.05Å; A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.23Å; A290-A294 PolarHBondContact O-N 2.95Å |
| 291 | I | 95.7 | Very high | 94.5 | Very high | 120 Ų | 120 | 119.4 Ų | 119.4 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.2 | -45.9 | 175.4 | -68.8 | 163.9 | 0 | 0 | 0 | 111.1 | K287 R288 K289 A294 R295 | K287-I291 WeakPolarHBondContact O-CD1 3.36Å; K287-I291 VanDerWaalsContact O-CG1 3.25Å; K287-I291 WeakPolarHBondContact O-CG1 3.47Å; K287-I291 PolarHBondContact O-N 2.88Å; R288-I291 PolarHBondContact O-N 2.53Å; K289-I291 VanDerWaalsContact C-N 3.34Å; K289-I291 PolarHBondContact O-N 2.96Å; I291-A294 PolarHBondContact O-N 3.44Å; I291-R295 PolarHBondContact O-N 3.11Å |
| 292 | L | 92.9 | Very high | 94 | Very high | 111 Ų | 111 | 118.4 Ų | 118.4 | 58% | 0.581 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.4 | -42.7 | 176.7 | -73.4 | 176.1 | 0 | 0 | 0 | 111.7 | R288 K289 R295 L296 | R288-L292 WeakPolarHBondContact O-CG 3.38Å; R288-L292 PolarHBondContact O-N 3.06Å; R288-L292 VanDerWaalsContact O-N 3.13Å; K289-L292 PolarHBondContact O-N 3.26Å; L292-R295 WeakPolarHBondContact O-CB 3.37Å; L292-R295 PolarHBondContact O-N 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.39Å; L292-L296 PolarHBondContact O-N 2.81Å |
| 293 | E | 94.7 | Very high | 93.6 | Very high | 120 Ų | 120 | 121.6 Ų | 121.6 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.2 | -44 | 177 | -175.8 | 169.6 | -171.3 | 0 | 0 | 111.8 | K289 A290 R295 L296 A297 | K289-E293 WeakPolarHBondContact O-CB 3.39Å; K289-E293 PolarHBondContact O-N 2.96Å; A290-E293 PolarHBondContact O-N 3.05Å; E293-R295 VanDerWaalsContact C-N 3.29Å; E293-R295 PolarHBondContact O-N 2.97Å; E293-L296 PolarHBondContact O-N 3.14Å; E293-A297 WeakPolarHBondContact O-CB 3.46Å; E293-A297 PolarHBondContact O-N 3Å |
| 294 | A | 95.4 | Very high | 92.7 | Very high | 52 Ų | 52 | 123.8 Ų | 123.8 | 43% | 0.43 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.5 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A290 I291 A297 K298 | A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.23Å; A290-A294 PolarHBondContact O-N 2.95Å; I291-A294 PolarHBondContact O-N 3.44Å; A294-A297 PolarHBondContact O-N 2.94Å; A294-K298 WeakPolarHBondContact O-CG 3.44Å; A294-K298 PolarHBondContact O-N 3.44Å |
| 295 | R | 94.1 | Very high | 91.7 | Very high | 180 Ų | 180 | 126.7 Ų | 126.7 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.7 | -43.3 | 174.6 | -171.9 | 176.9 | -178.5 | 160.5 | 0.9 | 111.8 | I291 L292 E293 K298 L299 | I291-R295 PolarHBondContact O-N 3.11Å; L292-R295 WeakPolarHBondContact O-CB 3.37Å; L292-R295 PolarHBondContact O-N 3.3Å; E293-R295 VanDerWaalsContact C-N 3.29Å; E293-R295 PolarHBondContact O-N 2.97Å; R295-K298 PolarHBondContact O-N 3.15Å; R295-L299 PolarHBondContact O-N 3.37Å; R295-L299 VanDerWaalsContact O-N 3.12Å |
| 296 | L | 94.6 | Very high | 90.5 | Very high | 96 Ų | 96 | 126.9 Ų | 126.9 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.4 | -39.3 | 175.6 | -70.5 | 174.4 | 0 | 0 | 0 | 111.9 | L292 E293 L299 R300 | L292-L296 WeakPolarHBondContact O-CG 3.39Å; L292-L296 PolarHBondContact O-N 2.81Å; E293-L296 PolarHBondContact O-N 3.14Å; L296-L299 WeakPolarHBondContact O-CB 3.48Å; L296-L299 PolarHBondContact O-N 2.99Å; L296-R300 WeakPolarHBondContact O-CG 3.43Å; L296-R300 PolarHBondContact O-N 3.48Å |
| 297 | A | 92.3 | Very high | 88.7 | Confident | 40 Ų | 40 | 126 Ų | 126 | 33% | 0.331 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.2 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E293 A294 L299 R300 Q301 | E293-A297 WeakPolarHBondContact O-CB 3.46Å; E293-A297 PolarHBondContact O-N 3Å; A294-A297 PolarHBondContact O-N 2.94Å; A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 2.74Å; A297-R300 PolarHBondContact O-N 3.29Å; A297-Q301 WeakPolarHBondContact O-CG 3.32Å; A297-Q301 PolarHBondContact O-N 2.86Å |
| 298 | K | 92.8 | Very high | 87 | Confident | 156 Ų | 156 | 126.9 Ų | 126.9 | 68% | 0.678 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.1 | -41.1 | 173.6 | -74 | 180 | -179.4 | -177.4 | 0 | 112.1 | A294 R295 Q301 K302 | A294-K298 WeakPolarHBondContact O-CG 3.44Å; A294-K298 PolarHBondContact O-N 3.44Å; R295-K298 PolarHBondContact O-N 3.15Å; K298-Q301 PolarHBondContact O-N 3.41Å; K298-K302 PolarHBondContact O-N 3.49Å |
| 299 | L | 87.1 | Confident | 84.8 | Confident | 102 Ų | 102 | 126.2 Ų | 126.2 | 53% | 0.534 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.9 | -44.1 | 174.3 | -85.9 | 158.6 | 0 | 0 | 0 | 112.4 | R295 L296 A297 K302 K303 | R295-L299 PolarHBondContact O-N 3.37Å; R295-L299 VanDerWaalsContact O-N 3.12Å; L296-L299 WeakPolarHBondContact O-CB 3.48Å; L296-L299 PolarHBondContact O-N 2.99Å; A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 2.74Å; L299-K302 PolarHBondContact O-N 3.44Å; L299-K303 PolarHBondContact O-N 3.25Å |
| 300 | R | 90.6 | Very high | 82.5 | Confident | 177 Ų | 177 | 122.8 Ų | 122.8 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.7 | -44.4 | 174.9 | -73 | 174.9 | -179.7 | 166.4 | 0.2 | 111.2 | L296 A297 K303 M304 | L296-R300 WeakPolarHBondContact O-CG 3.43Å; L296-R300 PolarHBondContact O-N 3.48Å; A297-R300 PolarHBondContact O-N 3.29Å; R300-K303 PolarHBondContact O-N 2.96Å; R300-M304 WeakPolarHBondContact O-CG 3.22Å; R300-M304 PolarHBondContact O-N 3.21Å |
| 301 | Q | 88.5 | Confident | 80.2 | Confident | 122 Ų | 122 | 123.1 Ų | 123.1 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.8 | -43.7 | 175.4 | -73.6 | -178.8 | -9.7 | 0 | 0 | 112.1 | A297 K298 K303 M304 K305 | A297-Q301 WeakPolarHBondContact O-CG 3.32Å; A297-Q301 PolarHBondContact O-N 2.86Å; K298-Q301 PolarHBondContact O-N 3.41Å; Q301-K303 VanDerWaalsContact C-N 3.32Å; Q301-K303 PolarHBondContact O-N 3.3Å; Q301-M304 PolarHBondContact O-N 2.89Å; Q301-K305 WeakPolarHBondContact O-CB 3.47Å; Q301-K305 WeakPolarHBondContact O-CG 3.21Å; Q301-K305 PolarHBondContact O-N 2.86Å |
| 302 | K | 86.9 | Confident | 77.5 | Confident | 156 Ų | 156 | 123 Ų | 123 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61 | -41.2 | 174.3 | -174.8 | 174.3 | 178.9 | 174.8 | 0 | 111.7 | K298 L299 K306 | K298-K302 PolarHBondContact O-N 3.49Å; L299-K302 PolarHBondContact O-N 3.44Å; K302-K306 WeakPolarHBondContact O-CB 3.37Å; K302-K306 PolarHBondContact O-N 3.02Å |
| 303 | K | 87.4 | Confident | 75.2 | Confident | 167 Ų | 167 | 126.8 Ų | 126.8 | 73% | 0.726 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.5 | -44.7 | 175.7 | -165.9 | -170.5 | 178.4 | -174.3 | 0 | 111.5 | L299 R300 Q301 K306 S307 | L299-K303 PolarHBondContact O-N 3.25Å; R300-K303 PolarHBondContact O-N 2.96Å; Q301-K303 VanDerWaalsContact C-N 3.32Å; Q301-K303 PolarHBondContact O-N 3.3Å; K303-K306 PolarHBondContact O-N 3.45Å; K303-S307 PolarHBondContact O-N 2.83Å; K303-S307 PolarHBondContact O-OG 2.97Å |
| 304 | M | 77.7 | Confident | 72.7 | Confident | 125 Ų | 125 | 129.4 Ų | 129.4 | 62% | 0.616 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.2 | -37.6 | 179.3 | -69.8 | -169 | 91.4 | 0 | 0 | 113.1 | R300 Q301 S307 K308 | R300-M304 WeakPolarHBondContact O-CG 3.22Å; R300-M304 PolarHBondContact O-N 3.21Å; Q301-M304 PolarHBondContact O-N 2.89Å; M304-S307 WeakPolarHBondContact CA-OG 3.46Å; M304-S307 PolarHBondContact O-N 3.36Å; M304-S307 PolarHBondContact O-OG 3.01Å; M304-K308 WeakPolarHBondContact O-CB 3.46Å; M304-K308 PolarHBondContact O-N 2.86Å |
| 305 | K | 75.3 | Confident | 70.4 | Confident | 146 Ų | 146 | 133.9 Ų | 133.9 | 64% | 0.635 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -63.6 | -47.6 | 172.7 | -73.7 | -175.4 | 177.6 | -169.1 | 0 | 110.9 | Q301 S307 K308 E309 | Q301-K305 WeakPolarHBondContact O-CB 3.47Å; Q301-K305 WeakPolarHBondContact O-CG 3.21Å; Q301-K305 PolarHBondContact O-N 2.86Å; K305-S307 VanDerWaalsContact C-N 3.28Å; K305-S307 PolarHBondContact O-N 3.29Å; K305-K308 PolarHBondContact O-N 2.86Å; K305-E309 WeakPolarHBondContact O-CB 3.32Å; K305-E309 PolarHBondContact O-N 2.9Å |
| 306 | K | 71.1 | Confident | 67.6 | Low | 166 Ų | 166 | 133 Ų | 133 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -60.9 | -33 | 176.3 | -169 | 172.4 | -178.9 | 177.7 | 0 | 113.4 | K302 K303 | K302-K306 WeakPolarHBondContact O-CB 3.37Å; K302-K306 PolarHBondContact O-N 3.02Å; K303-K306 PolarHBondContact O-N 3.45Å |
| 307 | S | 59.7 | Low | 65.2 | Low | 87 Ų | 87 | 138.5 Ų | 138.5 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -78.8 | -24.4 | 174.4 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | K303 M304 K305 | K303-S307 PolarHBondContact O-N 2.83Å; K303-S307 PolarHBondContact O-OG 2.97Å; M304-S307 WeakPolarHBondContact CA-OG 3.46Å; M304-S307 PolarHBondContact O-N 3.36Å; M304-S307 PolarHBondContact O-OG 3.01Å; K305-S307 VanDerWaalsContact C-N 3.28Å; K305-S307 PolarHBondContact O-N 3.29Å |
| 308 | K | 60.8 | Low | 62.7 | Low | 165 Ų | 165 | 144.6 Ų | 144.6 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -81.7 | -32.8 | 174.7 | -85.6 | -173.6 | 171.2 | -170 | 0 | 112.4 | M304 K305 G310 | M304-K308 WeakPolarHBondContact O-CB 3.46Å; M304-K308 PolarHBondContact O-N 2.86Å; K305-K308 PolarHBondContact O-N 2.86Å; K308-G310 VanDerWaalsContact C-N 3.26Å; K308-G310 PolarHBondContact O-N 3.26Å |
| 309 | E | 50.9 | Low | 60.1 | Low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -75.9 | -12.5 | 178.2 | -163.3 | 167.4 | -163.1 | 0 | 0 | 113 | K305 G311 | K305-E309 WeakPolarHBondContact O-CB 3.32Å; K305-E309 PolarHBondContact O-N 2.9Å; E309-G311 VanDerWaalsContact C-N 3.27Å; E309-G311 PolarHBondContact O-N 3.4Å |
| 310 | G | 48.3 | Very low | 57.9 | Low | 74 Ų | 74 | 142.8 Ų | 142.8 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -84.4 | 17.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K308 | K308-G310 VanDerWaalsContact C-N 3.26Å; K308-G310 PolarHBondContact O-N 3.26Å |
| 311 | G | 48.5 | Very low | 55.3 | Low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -147.6 | 19.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E309 | E309-G311 VanDerWaalsContact C-N 3.27Å; E309-G311 PolarHBondContact O-N 3.4Å |
| 312 | T | 38 | Very low | 52.9 | Low | 116 Ų | 116 | 142.6 Ų | 142.6 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | -153.3 | 98.4 | 171.8 | -27 | 0 | 0 | 0 | 0 | 108.7 | E314 | T312-E314 PolarHBondContact O-N 3.29Š| ||
| 313 | E | 45.3 | Very low | 50.1 | Low | 192 Ų | 192 | 138.1 Ų | 138.1 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | trans | -65.8 | 122.1 | 151.3 | -72.1 | -167.5 | 162.7 | 0 | 0 | 106.9 | ||||
| 314 | E | 42.6 | Very low | 48.2 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -176.8 | 109.6 | 134.8 | -89.6 | -107.4 | 148.4 | 0 | 0 | 107.9 | T312 | T312-E314 PolarHBondContact O-N 3.29Š| ||
| 315 | E | 45.5 | Very low | 46.3 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | 26.7 | 114.9 | 140.2 | -158.5 | 166.3 | -158 | 0 | 0 | 118.4 | ||||
| 316 | N | 35.6 | Very low | 44.7 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | -157.2 | 128.4 | 117.1 | -103.7 | -67.4 | 0 | 0 | 0 | 110.8 | |||||
| 317 | R | 44.9 | Very low | 43.1 | Very low | 210 Ų | 210 | 135.9 Ų | 135.9 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 151.9 | 169.7 | -72.8 | 173.1 | 159.6 | -150.3 | -3.2 | 110.3 | ||||
| 318 | D | 38.9 | Very low | 42.1 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | 145.7 | 129.8 | 150.4 | -74.9 | -18 | 0 | 0 | 0 | 106.5 | ||||
| 319 | G | 39 | Very low | 41.4 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | 171.4 | 139.8 | 9.5 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 320 | D | 40.7 | Very low | 40.8 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -62.1 | 127.7 | -171.8 | -151.3 | 14.8 | 0 | 0 | 0 | 112.9 | ||||
| 321 | V | 36.4 | Very low | 40.7 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -149.3 | 112.2 | 153 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 322 | I | 37.3 | Very low | 40.2 | Very low | 154 Ų | 154 | 144 Ų | 144 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -78.7 | 134.2 | 165.1 | -68.1 | 157.3 | 0 | 0 | 0 | 109.4 | ||||
| 323 | G | 29.3 | Very low | 40.3 | Very low | 63 Ų | 63 | 144 Ų | 144 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | 140.1 | 154.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 324 | P | 46 | Very low | 40 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -118.7 | 164.1 | -90.7 | 30.9 | -20 | 0 | 0 | 0 | 115.1 | |||||
| 325 | L | 38.5 | Very low | 39.8 | Very low | 145 Ų | 145 | 137 Ų | 137 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -0.5 | 121.3 | 156 | -135.3 | 93.8 | 0 | 0 | 0 | 117.2 | L327 | L325-L327 PolarHBondContact O-N 2.95Š| ||
| 326 | P | 41.6 | Very low | 39.4 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -76.4 | 107.5 | 158.2 | -13.4 | 29.7 | 0 | 0 | 0 | 109.4 | ||||
| 327 | L | 37.6 | Very low | 39.8 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 131.1 | 166.7 | -75.3 | 151.8 | 0 | 0 | 0 | 110.1 | L325 | L325-L327 PolarHBondContact O-N 2.95Š|
| 328 | E | 38.8 | Very low | 39.3 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71 | 160.1 | 156.7 | -101.9 | -161.9 | 168.9 | 0 | 0 | 110.4 | ||
| 329 | P | 46.3 | Very low | 39.2 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 151.1 | -138.7 | 35.1 | -37.1 | 0 | 0 | 0 | 115.7 | ||
| 330 | E | 37.2 | Very low | 39.4 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 150 | 165.1 | -99.7 | -87.8 | 141.1 | 0 | 0 | 111.6 | ||
| 331 | P | 46.4 | Very low | 39.3 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 136.9 | -162.8 | 35.6 | -24 | 0 | 0 | 0 | 113.1 | ||
| 332 | V | 37.5 | Very low | 39.8 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -146 | 160.2 | 166 | -128.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 333 | P | 41.4 | Very low | 39.9 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | -99.5 | 162 | -112.6 | 30.3 | -11.9 | 0 | 0 | 0 | 113.7 | |||
| 334 | A | 38.5 | Very low | 40.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 145.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 335 | P | 38.3 | Very low | 40.3 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 145.7 | 149.5 | 32.4 | -28.1 | 0 | 0 | 0 | 111.1 | ||
| 336 | R | 36.7 | Very low | 40.4 | Very low | 240 Ų | 240 | 137.8 Ų | 137.8 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 165.5 | -177.9 | -73.5 | -172.4 | -154.9 | -168.8 | 6.3 | 113.2 | ||
| 337 | P | 44.6 | Very low | 40.4 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 151.2 | -150.8 | 37 | -32.3 | 0 | 0 | 0 | 113.4 | ||
| 338 | A | 34.1 | Very low | 40.8 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -126.8 | 136.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 339 | A | 36.3 | Very low | 41 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | 70.4 | 104.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | S341 | A339-S341 PolarHBondContact O-N 3.49Å; A339-S341 VanDerWaalsContact O-N 3.11Å | ||
| 340 | Q | 43.9 | Very low | 41.2 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | -61 | 101.5 | 163.5 | -64.1 | 169.3 | -21.5 | 0 | 0 | 109.9 | ||||
| 341 | S | 39.5 | Very low | 41.8 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -94 | 118.1 | 154.7 | 61.5 | 0 | 0 | 0 | 0 | 107.6 | A339 K343 | A339-S341 PolarHBondContact O-N 3.49Å; A339-S341 VanDerWaalsContact O-N 3.11Å; S341-K343 PolarHBondContact O-N 3.01Å | ||
| 342 | S | 46 | Very low | 42 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -50.1 | 101.4 | 176.9 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | V344 | S342-V344 PolarHBondContact O-N 2.91Š| ||
| 343 | K | 39.9 | Very low | 42.5 | Very low | 178 Ų | 178 | 145 Ų | 145 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | -89 | 96.2 | 174.8 | -165.2 | 170.6 | -173.7 | -179.7 | 0 | 107.6 | S341 E345 | S341-K343 PolarHBondContact O-N 3.01Å; K343-E345 PolarHBondContact O-N 3.31Å; K343-E345 VanDerWaalsContact O-N 3.14Å | ||
| 344 | V | 43.7 | Very low | 42.8 | Very low | 119 Ų | 119 | 143 Ų | 143 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -71.3 | 102.3 | 165.3 | 175.7 | 0 | 0 | 0 | 0 | 106.4 | S342 V346 | S342-V344 PolarHBondContact O-N 2.91Å; V344-V346 VanDerWaalsContact C-N 3.29Å; V344-V346 HydrophobicContact CG1-CG2 4.1Å; V344-V346 PolarHBondContact O-N 2.94Å | ||
| 345 | E | 38.7 | Very low | 43.8 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | trans | -68.3 | 92 | 167.7 | -72.4 | -174.5 | 161.7 | 0 | 0 | 108.2 | K343 I347 | K343-E345 PolarHBondContact O-N 3.31Å; K343-E345 VanDerWaalsContact O-N 3.14Å; E345-I347 PolarHBondContact O-N 3.48Å | ||
| 346 | V | 41.7 | Very low | 44.6 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | trans | -69.2 | 93.5 | 162.1 | -178.9 | 0 | 0 | 0 | 0 | 106.1 | V344 V348 | V344-V346 VanDerWaalsContact C-N 3.29Å; V344-V346 HydrophobicContact CG1-CG2 4.1Å; V344-V346 PolarHBondContact O-N 2.94Å; V346-V348 VanDerWaalsContact C-N 3.3Å; V346-V348 PolarHBondContact O-N 2.87Å | ||
| 347 | I | 40.6 | Very low | 45.7 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -57.2 | 100.3 | 164.3 | -65.6 | 160.7 | 0 | 0 | 0 | 105.5 | E345 Q349 | E345-I347 PolarHBondContact O-N 3.48Å; I347-Q349 PolarHBondContact O-N 2.94Å | ||
| 348 | V | 47.2 | Very low | 46.3 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | trans | -66.6 | 96.4 | 168 | 177.6 | 0 | 0 | 0 | 0 | 105.1 | V346 E350 | V346-V348 VanDerWaalsContact C-N 3.3Å; V346-V348 PolarHBondContact O-N 2.87Å; V348-E350 HydrophobicContact CG1-CG 4.43Å; V348-E350 PolarHBondContact O-N 3.36Å | ||
| 349 | Q | 43.1 | Very low | 47.9 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -63.6 | 87.7 | 165.8 | -171.3 | 173.4 | -3.3 | 0 | 0 | 106.5 | I347 R351 | I347-Q349 PolarHBondContact O-N 2.94Å; Q349-R351 PolarHBondContact O-N 2.94Å | ||
| 350 | E | 50.6 | Low | 49.6 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -52.9 | 112.4 | 168.2 | -79 | -170.7 | 149.2 | 0 | 0 | 106.8 | V348 K352 | V348-E350 HydrophobicContact CG1-CG 4.43Å; V348-E350 PolarHBondContact O-N 3.36Å; E350-K352 PolarHBondContact O-N 2.83Å; E350-K352 VanDerWaalsContact O-N 3.09Å | ||
| 351 | R | 48.7 | Very low | 51.1 | Low | 208 Ų | 208 | 135.1 Ų | 135.1 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -54.4 | 120.9 | 172.9 | -71.4 | -175.8 | 170.9 | 130.8 | -1.7 | 107.1 | Q349 D353 | Q349-R351 PolarHBondContact O-N 2.94Å; R351-D353 PolarHBondContact O-N 3.5Å | ||
| 352 | K | 50.5 | Low | 53 | Low | 204 Ų | 204 | 136.6 Ų | 136.6 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 4.1 | -174.9 | -60.2 | -131.1 | 177.3 | -174.3 | 0 | 113.7 | E350 | E350-K352 PolarHBondContact O-N 2.83Å; E350-K352 VanDerWaalsContact O-N 3.09Å |
| 353 | D | 48.2 | Very low | 54.6 | Low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -1.4 | -168.2 | -52.5 | -33.8 | 0 | 0 | 0 | 113.8 | R351 | R351-D353 PolarHBondContact O-N 3.5Š|
| 354 | T | 48.2 | Very low | 56.1 | Low | 74 Ų | 74 | 137.2 Ų | 137.2 | 45% | 0.454 | 70% | 0.7 | S | S | . | * | trans | -117.1 | 104.6 | 175.7 | 48.3 | 0 | 0 | 0 | 0 | 110.7 | H360 | T354-H360 HydrophobicContact CG2-CB 3.99Š| ||
| 355 | K | 59.9 | Low | 57.3 | Low | 172 Ų | 172 | 133 Ų | 133 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | -57.2 | 136.9 | 165.4 | -64.8 | -179.4 | -178.5 | 178.3 | 0 | 108.7 | G357 V358 | K355-G357 PolarHBondContact O-N 3.21Å; K355-G357 VanDerWaalsContact O-N 3.09Å; K355-V358 PolarHBondContact O-N 2.7Å | ||
| 356 | P | 53.7 | Low | 59 | Low | 136 Ų | 136 | 133.3 Ų | 133.3 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 119 | 179 | 22.4 | -31.5 | 0 | 0 | 0 | 109.9 | ||
| 357 | G | 60.9 | Low | 60.2 | Low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.4 | -9.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | K355 | K355-G357 PolarHBondContact O-N 3.21Å; K355-G357 VanDerWaalsContact O-N 3.09Å |
| 358 | V | 57.2 | Low | 61.7 | Low | 93 Ų | 93 | 130.2 Ų | 130.2 | 56% | 0.564 | 66% | 0.66 | S | S | * | * | trans | -113.2 | 114.9 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | K355 H360 | K355-V358 PolarHBondContact O-N 2.7Å; V358-H360 PolarHBondContact O-N 2.88Å | ||
| 359 | P | 67 | Low | 62.2 | Low | 106 Ų | 106 | 132.5 Ų | 132.5 | 69% | 0.688 | 66% | 0.663 | S | S | * | * | trans | -56.5 | 138.1 | 172.3 | -20.4 | 31.3 | 0 | 0 | 0 | 110.1 | I361 | P359-I361 PolarHBondContact O-N 3.47Š| ||
| 360 | H | 73.3 | Confident | 62.4 | Low | 140 Ų | 140 | 132.6 Ų | 132.6 | 65% | 0.648 | 66% | 0.661 | S | S | * | * | trans | -59 | 113.1 | 172.7 | 174.1 | 77.1 | 0 | 0 | 0 | 109.7 | T354 V358 | T354-H360 HydrophobicContact CG2-CB 3.99Å; V358-H360 PolarHBondContact O-N 2.88Å | ||
| 361 | I | 75.3 | Confident | 62.4 | Low | 93 Ų | 93 | 129 Ų | 129 | 48% | 0.477 | 65% | 0.654 | S | S | . | * | trans | -88.8 | 121.1 | 174.3 | -60.5 | 173 | 0 | 0 | 0 | 107 | P359 D365 R366 | P359-I361 PolarHBondContact O-N 3.47Å; I361-D365 VanDerWaalsContact CG2-C 3.48Å; I361-D365 HydrophobicContact CG2-CB 3.73Å; I361-R366 HydrophobicContact CG2-CG 4.2Å | ||
| 362 | R | 79.5 | Confident | 62.3 | Low | 137 Ų | 137 | 129.2 Ų | 129.2 | 52% | 0.517 | 66% | 0.661 | S | S | . | * | trans | -63.1 | 154.8 | 175.5 | -65.8 | 178 | -176.3 | 133.1 | -3.8 | 109.8 | W364 D365 R366 | R362-W364 HydrophobicContact CB-CD2 4.45Å; R362-W364 HydrophobicContact CB-CG 4.48Å; R362-W364 VanDerWaalsContact CD-CZ2 3.42Å; R362-W364 PolarHBondContact O-N 3.44Å; R362-W364 VanDerWaalsContact O-N 3.13Å; R362-D365 HydrophobicContact CB-CB 4.33Å; R362-D365 CarbonylContact O-C 3.54Å; R362-D365 WeakPolarHBondContact O-CA 3.5Å; R362-D365 PolarHBondContact O-N 2.8Å; R362-R366 PolarHBondContact O-N 3.14Å | ||
| 363 | E | 78 | Confident | 62.4 | Low | 144 Ų | 144 | 122.6 Ų | 122.6 | 67% | 0.673 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -58.6 | -33.1 | -175.2 | -52.3 | -155.9 | 124 | 0 | 0 | 113.4 | R366 | E363-R366 WeakPolarHBondContact O-CB 3.46Å; E363-R366 IonicContact OE1-CZ 2.63Å; E363-R366 IonicContact OE1-NH1 2.74Å; E363-R366 PolarHBondContact OE1-NH1 3.42Å; E363-R366 VanDerWaalsContact OE1-NH1 3.08Å; E363-R366 IonicContact OE1-NH2 4Å |
| 364 | W | 72.7 | Confident | 62.2 | Low | 165 Ų | 165 | 125.5 Ų | 125.5 | 63% | 0.625 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -85.6 | -6 | 176.3 | 56.5 | -95.6 | 0 | 0 | 0 | 114.7 | R362 | R362-W364 HydrophobicContact CB-CD2 4.45Å; R362-W364 HydrophobicContact CB-CG 4.48Å; R362-W364 VanDerWaalsContact CD-CZ2 3.42Å; R362-W364 PolarHBondContact O-N 3.44Å; R362-W364 VanDerWaalsContact O-N 3.13Å |
| 365 | D | 68.4 | Low | 62.5 | Low | 31 Ų | 31 | 131.2 Ų | 131.2 | 17% | 0.166 | 67% | 0.666 | C | S | . | * | G | 310 helix | trans | -97.7 | -5.1 | 170.8 | -72.9 | -41.8 | 0 | 0 | 0 | 111.9 | I361 R362 G367 K368 | I361-D365 VanDerWaalsContact CG2-C 3.48Å; I361-D365 HydrophobicContact CG2-CB 3.73Å; R362-D365 HydrophobicContact CB-CB 4.33Å; R362-D365 CarbonylContact O-C 3.54Å; R362-D365 WeakPolarHBondContact O-CA 3.5Å; R362-D365 PolarHBondContact O-N 2.8Å; D365-G367 PolarHBondContact O-N 3.13Å; D365-K368 PolarHBondContact O-N 2.75Å |
| 366 | R | 75 | Confident | 62.4 | Low | 159 Ų | 159 | 129 Ų | 129 | 60% | 0.6 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 129.5 | 174.3 | -70.8 | -179.1 | 176.5 | 141.3 | 1.9 | 109.9 | I361 R362 E363 K368 | I361-R366 HydrophobicContact CG2-CG 4.2Å; R362-R366 PolarHBondContact O-N 3.14Å; E363-R366 WeakPolarHBondContact O-CB 3.46Å; E363-R366 IonicContact OE1-CZ 2.63Å; E363-R366 IonicContact OE1-NH1 2.74Å; E363-R366 PolarHBondContact OE1-NH1 3.42Å; E363-R366 VanDerWaalsContact OE1-NH1 3.08Å; E363-R366 IonicContact OE1-NH2 4Å; R366-K368 VanDerWaalsContact C-N 3.32Å |
| 367 | G | 65.5 | Low | 62.8 | Low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.5 | -3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D365 E369 | D365-G367 PolarHBondContact O-N 3.13Å; G367-E369 PolarHBondContact O-N 2.8Å |
| 368 | K | 72.8 | Confident | 63.1 | Low | 125 Ų | 125 | 131.7 Ų | 131.7 | 54% | 0.543 | 64% | 0.642 | S | S | . | * | trans | -85.3 | 86.7 | 165.7 | -62.7 | -170.7 | -174.1 | -177.6 | 0 | 108.3 | D365 R366 F370 | D365-K368 PolarHBondContact O-N 2.75Å; R366-K368 VanDerWaalsContact C-N 3.32Å; K368-F370 PolarHBondContact O-N 2.96Å | ||
| 369 | E | 56.8 | Low | 63.4 | Low | 164 Ų | 164 | 132.8 Ų | 132.8 | 77% | 0.766 | 64% | 0.641 | S | S | * | * | trans | -60.3 | 102.6 | 171.3 | -56.9 | -59.1 | 154.9 | 0 | 0 | 108.1 | G367 S371 | G367-E369 PolarHBondContact O-N 2.8Å; E369-S371 PolarHBondContact O-N 3.22Å | ||
| 370 | F | 48.8 | Very low | 63.3 | Low | 177 Ų | 177 | 130.4 Ų | 130.4 | 78% | 0.776 | 63% | 0.627 | S | S | * | * | trans | -70.2 | 76.2 | 172 | -95.8 | -96.2 | 0 | 0 | 0 | 108.2 | K368 F372 | K368-F370 PolarHBondContact O-N 2.96Å; F370-F372 VanDerWaalsContact C-N 3.31Å; F370-F372 PolarHBondContact O-N 3.23Å | ||
| 371 | S | 49.7 | Very low | 63.2 | Low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 61% | 0.613 | S | S | * | * | trans | -63.3 | 102.2 | 159.4 | 41.1 | 0 | 0 | 0 | 0 | 106.7 | E369 G373 | E369-S371 PolarHBondContact O-N 3.22Å; S371-G373 PolarHBondContact O-N 3.49Å | ||
| 372 | F | 46.7 | Very low | 63 | Low | 212 Ų | 212 | 125.5 Ų | 125.5 | 93% | 0.93 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | 95.9 | -178.1 | -161.1 | -94.3 | 0 | 0 | 0 | 110 | F370 | F370-F372 VanDerWaalsContact C-N 3.31Å; F370-F372 PolarHBondContact O-N 3.23Å |
| 373 | G | 52.9 | Low | 62.5 | Low | 64 Ų | 64 | 124.6 Ų | 124.6 | 66% | 0.66 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.4 | 11.2 | 154 | 0 | 0 | 0 | 0 | 0 | 120 | S371 | S371-G373 PolarHBondContact O-N 3.49Š|
| 374 | Y | 44.8 | Very low | 62.2 | Low | 200 Ų | 200 | 121.7 Ų | 121.7 | 78% | 0.784 | 60% | 0.603 | S | S | * | * | trans | -137.1 | 102 | 167.7 | -87.7 | -93.7 | 0 | 0 | 0 | 111.1 | S376 | Y374-S376 PolarHBondContact O-N 3.17Š| ||
| 375 | W | 53.7 | Low | 62.4 | Low | 195 Ų | 195 | 119.8 Ų | 119.8 | 74% | 0.739 | 60% | 0.601 | S | S | * | * | trans | -64.2 | 105.9 | 156 | -120.7 | -41.1 | 0 | 0 | 0 | 105.9 | K377 L382 | W375-K377 PolarHBondContact O-N 2.99Å; W375-L382 HydrophobicContact CD2-CD1 4.31Å; W375-L382 HydrophobicContact CG-CD1 4.36Å; W375-L382 HydrophobicContact CZ2-CD1 4.33Å | ||
| 376 | S | 57.2 | Low | 63 | Low | 126 Ų | 126 | 122.7 Ų | 122.7 | 88% | 0.881 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -59.8 | -18.6 | -179.1 | -49.3 | 0 | 0 | 0 | 0 | 112.7 | Y374 | Y374-S376 PolarHBondContact O-N 3.17Š|
| 377 | K | 61.8 | Low | 63.3 | Low | 78 Ų | 78 | 120.9 Ų | 120.9 | 34% | 0.339 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -104.2 | 138.1 | 173.3 | -99.4 | 174.6 | 175.4 | 156.7 | 0 | 111.2 | W375 D381 L382 E385 | W375-K377 PolarHBondContact O-N 2.99Å; K377-D381 HydrophobicContact CB-CB 4.32Å; K377-D381 HydrophobicContact CD-CB 4.25Å; K377-D381 HydrophobicContact CG-CB 3.97Å; K377-L382 HydrophobicContact CB-CD1 4.47Å; K377-L382 HydrophobicContact CB-CD2 4.15Å; K377-L382 HydrophobicContact CB-CG 3.97Å; K377-L382 HydrophobicContact CD-CD2 3.75Å; K377-L382 HydrophobicContact CD-CG 4.27Å; K377-E385 WeakPolarHBondContact CE-OE1 3.49Å; K377-E385 IonicContact NZ-OE1 3.16Å; K377-E385 PolarHBondContact NZ-OE1 3.01Å; K377-E385 IonicContact NZ-OE2 3.28Å; K377-E385 PolarHBondContact NZ-OE2 2.84Å |
| 378 | R | 67.6 | Low | 63.9 | Low | 194 Ų | 194 | 122.7 Ų | 122.7 | 73% | 0.732 | 61% | 0.611 | S | S | * | * | trans | -64.3 | 147.1 | 166.3 | -77.7 | -159.2 | -81.6 | -143 | -4.5 | 109 | S380 D381 L382 | R378-S380 WeakPolarHBondContact CB-OG 3.38Å; R378-S380 PolarHBondContact O-N 2.85Å; R378-D381 PolarHBondContact N-OD2 2.89Å; R378-D381 WeakPolarHBondContact O-CB 3.26Å; R378-D381 PolarHBondContact O-N 3.15Å; R378-L382 PolarHBondContact O-N 3.13Å | ||
| 379 | Q | 63.2 | Low | 64.2 | Low | 116 Ų | 116 | 125.8 Ų | 125.8 | 54% | 0.542 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -54.4 | -26.2 | 176 | -78.5 | -176.7 | -29.4 | 0 | 0 | 113.2 | D381 R383 | Q379-D381 VanDerWaalsContact C-N 3.3Å; Q379-R383 WeakPolarHBondContact O-CG 3.36Å; Q379-R383 PolarHBondContact O-N 3.43Å; Q379-R383 VanDerWaalsContact O-N 3.12Å |
| 380 | S | 66.3 | Low | 65.2 | Low | 57 Ų | 57 | 126.7 Ų | 126.7 | 40% | 0.399 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -59.4 | -41.3 | 171.2 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | R378 R383 A384 | R378-S380 WeakPolarHBondContact CB-OG 3.38Å; R378-S380 PolarHBondContact O-N 2.85Å; S380-R383 PolarHBondContact O-N 3.46Å; S380-A384 PolarHBondContact O-N 3.34Å; S380-A384 VanDerWaalsContact O-N 3.1Å |
| 381 | D | 71.1 | Confident | 66.8 | Low | 68 Ų | 68 | 119.9 Ų | 119.9 | 36% | 0.364 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -76.3 | -38.4 | -172.4 | -47.6 | -19.8 | 0 | 0 | 0 | 109.4 | K377 R378 Q379 R383 A384 E385 | K377-D381 HydrophobicContact CB-CB 4.32Å; K377-D381 HydrophobicContact CD-CB 4.25Å; K377-D381 HydrophobicContact CG-CB 3.97Å; R378-D381 PolarHBondContact N-OD2 2.89Å; R378-D381 WeakPolarHBondContact O-CB 3.26Å; R378-D381 PolarHBondContact O-N 3.15Å; Q379-D381 VanDerWaalsContact C-N 3.3Å; D381-R383 VanDerWaalsContact C-N 3.34Å; D381-R383 PolarHBondContact O-N 3.39Å; D381-A384 PolarHBondContact O-N 3.37Å; D381-E385 WeakPolarHBondContact O-CG 3.41Å; D381-E385 PolarHBondContact O-N 2.93Å |
| 382 | L | 70.2 | Confident | 68.2 | Low | 61 Ų | 61 | 118.4 Ų | 118.4 | 32% | 0.319 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.1 | -33.1 | 172.1 | -65.2 | 170.7 | 0 | 0 | 0 | 112.9 | W375 K377 R378 A384 | W375-L382 HydrophobicContact CD2-CD1 4.31Å; W375-L382 HydrophobicContact CG-CD1 4.36Å; W375-L382 HydrophobicContact CZ2-CD1 4.33Å; K377-L382 HydrophobicContact CB-CD1 4.47Å; K377-L382 HydrophobicContact CB-CD2 4.15Å; K377-L382 HydrophobicContact CB-CG 3.97Å; K377-L382 HydrophobicContact CD-CD2 3.75Å; K377-L382 HydrophobicContact CD-CG 4.27Å; R378-L382 PolarHBondContact O-N 3.13Å; L382-A384 VanDerWaalsContact C-N 3.34Å |
| 383 | R | 69.5 | Low | 69.8 | Low | 118 Ų | 118 | 111.9 Ų | 111.9 | 45% | 0.445 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.6 | -28.8 | 175.1 | -77.5 | -178.1 | -141.6 | 125.7 | 3.9 | 112.7 | Q379 S380 D381 R386 | Q379-R383 WeakPolarHBondContact O-CG 3.36Å; Q379-R383 PolarHBondContact O-N 3.43Å; Q379-R383 VanDerWaalsContact O-N 3.12Å; S380-R383 PolarHBondContact O-N 3.46Å; D381-R383 VanDerWaalsContact C-N 3.34Å; D381-R383 PolarHBondContact O-N 3.39Å; R383-R386 PolarHBondContact O-NH2 2.87Å |
| 384 | A | 71.5 | Confident | 70.8 | Confident | 84 Ų | 84 | 113.3 Ų | 113.3 | 69% | 0.694 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -77.5 | -23.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S380 D381 L382 R386 | S380-A384 PolarHBondContact O-N 3.34Å; S380-A384 VanDerWaalsContact O-N 3.1Å; D381-A384 PolarHBondContact O-N 3.37Å; L382-A384 VanDerWaalsContact C-N 3.34Å; A384-R386 VanDerWaalsContact C-N 3.33Å |
| 385 | E | 77.1 | Confident | 72.3 | Confident | 125 Ų | 125 | 109.7 Ų | 109.7 | 58% | 0.584 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -81.7 | -8.8 | 175.6 | -71.7 | -174.5 | 157.5 | 0 | 0 | 114.3 | K377 D381 | K377-E385 WeakPolarHBondContact CE-OE1 3.49Å; K377-E385 IonicContact NZ-OE1 3.16Å; K377-E385 PolarHBondContact NZ-OE1 3.01Å; K377-E385 IonicContact NZ-OE2 3.28Å; K377-E385 PolarHBondContact NZ-OE2 2.84Å; D381-E385 WeakPolarHBondContact O-CG 3.41Å; D381-E385 PolarHBondContact O-N 2.93Å |
| 386 | R | 80.9 | Confident | 73.2 | Confident | 91 Ų | 91 | 109.2 Ų | 109.2 | 34% | 0.343 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -82.4 | 141.6 | 178.7 | 175.6 | -179.4 | 38.6 | 48.8 | 1.1 | 110.2 | R383 A384 | R383-R386 PolarHBondContact O-NH2 2.87Å; A384-R386 VanDerWaalsContact C-N 3.33Å |
| 387 | D | 80.8 | Confident | 73.8 | Confident | 122 Ų | 122 | 107.4 Ų | 107.4 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | trans | -47.9 | 132 | 177.5 | -84.3 | -40 | 0 | 0 | 0 | 112.1 | E389 F390 A391 | D387-E389 PolarHBondContact O-N 3.43Å; D387-F390 CarbonylContact O-C 3.58Å; D387-F390 PolarHBondContact O-N 3.43Å; D387-A391 PolarHBondContact O-N 2.85Å; D387-A391 VanDerWaalsContact O-N 3.16Å | ||
| 388 | P | 77.5 | Confident | 74 | Confident | 108 Ų | 108 | 109.2 Ų | 109.2 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -66.2 | -27.5 | -176.7 | 26.6 | -34 | 0 | 0 | 0 | 112.3 | F390 A391 | P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.36Å; P388-A391 VanDerWaalsContact O-CB 3.31Å; P388-A391 WeakPolarHBondContact O-CB 3.5Å; P388-A391 PolarHBondContact O-N 2.92Å |
| 389 | E | 79.3 | Confident | 73.6 | Confident | 190 Ų | 190 | 103.6 Ų | 103.6 | 89% | 0.888 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -69.4 | -26.1 | 176.9 | -65.9 | -175.5 | 169.7 | 0 | 0 | 113 | D387 | D387-E389 PolarHBondContact O-N 3.43Š|
| 390 | F | 79.5 | Confident | 73.4 | Confident | 182 Ų | 182 | 105.1 Ų | 105.1 | 80% | 0.798 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -102.4 | 7.8 | 175 | -112 | -92.8 | 0 | 0 | 0 | 112.3 | D387 P388 | D387-F390 CarbonylContact O-C 3.58Å; D387-F390 PolarHBondContact O-N 3.43Å; P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.36Å |
| 391 | A | 80.8 | Confident | 72.6 | Confident | 35 Ų | 35 | 111.8 Ų | 111.8 | 29% | 0.289 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -78.7 | 138.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D387 P388 | D387-A391 PolarHBondContact O-N 2.85Å; D387-A391 VanDerWaalsContact O-N 3.16Å; P388-A391 VanDerWaalsContact O-CB 3.31Å; P388-A391 WeakPolarHBondContact O-CB 3.5Å; P388-A391 PolarHBondContact O-N 2.92Å |
| 392 | P | 79.4 | Confident | 71.7 | Confident | 60 Ų | 60 | 120 Ų | 120 | 39% | 0.39 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 138.4 | 163.7 | 24.4 | -32.6 | 0 | 0 | 0 | 109 | S394 F397 | P392-S394 PolarHBondContact O-N 3.47Å; P392-F397 HydrophobicContact CB-CE2 4.09Å; P392-F397 HydrophobicContact CG-CE2 3.68Å; P392-F397 HydrophobicContact CG-CZ 4.08Å |
| 393 | P | 81.6 | Confident | 70.1 | Confident | 76 Ų | 76 | 123.8 Ų | 123.8 | 49% | 0.494 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -50.1 | 140.9 | 179.1 | -27.3 | 33.2 | 0 | 0 | 0 | 111.4 | D395 Y396 | P393-D395 PolarHBondContact O-N 3.27Å; P393-Y396 HydrophobicContact CB-CD2 4.07Å; P393-Y396 HydrophobicContact CB-CE2 4.34Å; P393-Y396 HydrophobicContact CG-CD2 4.23Å; P393-Y396 HydrophobicContact CG-CE2 4.11Å; P393-Y396 PolarHBondContact O-N 2.89Å; P393-Y396 VanDerWaalsContact O-N 3.12Å |
| 394 | S | 72.3 | Confident | 68.5 | Low | 94 Ų | 94 | 121.6 Ų | 121.6 | 66% | 0.657 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -55.1 | -26.2 | -177.7 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | P392 Y396 F397 | P392-S394 PolarHBondContact O-N 3.47Å; S394-Y396 PolarHBondContact O-N 3.18Å; S394-F397 PolarHBondContact O-N 3.22Å; S394-F397 VanDerWaalsContact O-N 3.12Å |
| 395 | D | 76.9 | Confident | 66.8 | Low | 124 Ų | 124 | 128 Ų | 128 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -61.3 | -29.3 | -178.6 | -62.1 | -13.6 | 0 | 0 | 0 | 113.1 | P393 F397 V398 | P393-D395 PolarHBondContact O-N 3.27Å; D395-F397 PolarHBondContact O-N 2.92Å; D395-F397 VanDerWaalsContact O-N 3.16Å; D395-V398 PolarHBondContact O-N 3.33Å |
| 396 | Y | 72.4 | Confident | 64.7 | Low | 185 Ų | 185 | 127.4 Ų | 127.4 | 73% | 0.725 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -64.6 | -19.5 | 177.4 | -80.4 | -94.1 | 0 | 0 | 0 | 113.4 | P393 S394 | P393-Y396 HydrophobicContact CB-CD2 4.07Å; P393-Y396 HydrophobicContact CB-CE2 4.34Å; P393-Y396 HydrophobicContact CG-CD2 4.23Å; P393-Y396 HydrophobicContact CG-CE2 4.11Å; P393-Y396 PolarHBondContact O-N 2.89Å; P393-Y396 VanDerWaalsContact O-N 3.12Å; S394-Y396 PolarHBondContact O-N 3.18Å |
| 397 | F | 69.4 | Low | 62.4 | Low | 87 Ų | 87 | 127.1 Ų | 127.1 | 38% | 0.382 | 69% | 0.692 | S | S | . | * | G | 310 helix | trans | -108 | 1 | -173.9 | -63.9 | -85.9 | 0 | 0 | 0 | 113.9 | P392 S394 D395 G399 Q400 | P392-F397 HydrophobicContact CB-CE2 4.09Å; P392-F397 HydrophobicContact CG-CE2 3.68Å; P392-F397 HydrophobicContact CG-CZ 4.08Å; S394-F397 PolarHBondContact O-N 3.22Å; S394-F397 VanDerWaalsContact O-N 3.12Å; D395-F397 PolarHBondContact O-N 2.92Å; D395-F397 VanDerWaalsContact O-N 3.16Å; F397-G399 PolarHBondContact O-N 3.41Å; F397-Q400 PolarHBondContact O-N 3.18Å |
| 398 | V | 66.1 | Low | 60.7 | Low | 116 Ų | 116 | 127 Ų | 127 | 70% | 0.703 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -17 | -175.6 | -177.4 | 0 | 0 | 0 | 0 | 112.6 | D395 | D395-V398 PolarHBondContact O-N 3.33Š|
| 399 | G | 59 | Low | 58.8 | Low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -5.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | F397 | F397-G399 PolarHBondContact O-N 3.41Š|
| 400 | Q | 58.8 | Low | 56.6 | Low | 149 Ų | 149 | 124.9 Ų | 124.9 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | trans | -90.1 | -0.3 | -172.3 | -78.9 | -167.4 | -42.8 | 0 | 0 | 114.9 | F397 R402 | F397-Q400 PolarHBondContact O-N 3.18Å; Q400-R402 PolarHBondContact O-N 3.46Å | ||
| 401 | K | 50.8 | Low | 54.2 | Low | 196 Ų | 196 | 128.4 Ų | 128.4 | 85% | 0.852 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -88.6 | 103 | 177.2 | -69.1 | -165.9 | 179.6 | -179.8 | 0 | 110.4 | ||
| 402 | R | 52.5 | Low | 52 | Low | 241 Ų | 241 | 132 Ų | 132 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | trans | 103.8 | 79.7 | 166.4 | -56.2 | -167.9 | -168 | -153.1 | 6.3 | 115.6 | Q400 | Q400-R402 PolarHBondContact O-N 3.46Š| ||
| 403 | T | 35.6 | Very low | 50 | Low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | -138.2 | 121.7 | 129.4 | 51.5 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 404 | G | 35.5 | Very low | 47.9 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -69.6 | 147.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S406 | G404-S406 PolarHBondContact O-N 3.36Š| ||
| 405 | F | 36.5 | Very low | 45.9 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 95% | 0.952 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 16.2 | 101.6 | 154.3 | -107.8 | -100.1 | 0 | 0 | 0 | 116.7 | ||
| 406 | S | 31.8 | Very low | 44.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 169.8 | 149.5 | 130.9 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | G404 | G404-S406 PolarHBondContact O-N 3.36Š| ||
| 407 | S | 34.1 | Very low | 42.4 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | trans | 84.4 | 94.3 | 150.7 | -169.6 | 0 | 0 | 0 | 0 | 118 | Q409 | S407-Q409 PolarHBondContact O-N 2.87Š| ||
| 408 | S | 45 | Very low | 40.6 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -39.3 | 120.2 | 140.7 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 409 | Q | 36.8 | Very low | 38.9 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | trans | -137 | 120.3 | 157.9 | -116.4 | 176 | -3.6 | 0 | 0 | 110.6 | S407 | S407-Q409 PolarHBondContact O-N 2.87Š| ||
| 410 | A | 32.8 | Very low | 37.6 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -61.3 | 130.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S412 | A410-S412 PolarHBondContact O-N 2.85Å; A410-S412 VanDerWaalsContact O-N 3.07Å | ||
| 411 | W | 30.6 | Very low | 37 | Very low | 256 Ų | 256 | 142.3 Ų | 142.3 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | trans | -78 | 97.6 | 172.2 | -72.6 | 61.8 | 0 | 0 | 0 | 108 | ||||
| 412 | S | 33.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -78.3 | 136.1 | 163 | -65 | 0 | 0 | 0 | 0 | 109.3 | A410 | A410-S412 PolarHBondContact O-N 2.85Å; A410-S412 VanDerWaalsContact O-N 3.07Å | ||
| 413 | R | 36.7 | Very low | 34.8 | Very low | 228 Ų | 228 | 134.2 Ų | 134.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -25.7 | 141.7 | 164.1 | -175.6 | -174.6 | -123 | -114.9 | 1.9 | 115.4 | ||||
| 414 | P | 38.3 | Very low | 34.3 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -94.3 | 126.1 | 155.6 | 3.9 | 15.9 | 0 | 0 | 0 | 111.1 | ||||
| 415 | G | 29.2 | Very low | 33.9 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | -92 | -177.3 | 157 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 416 | P | 46.2 | Very low | 33.5 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -103.2 | 168.1 | -136.3 | 39.5 | -37.2 | 0 | 0 | 0 | 115.9 | ||||
| 417 | A | 30.6 | Very low | 33.5 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -145.4 | 113.6 | 164 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 418 | Q | 31.4 | Very low | 33.4 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | 67.8 | 96.2 | 87.4 | -67.5 | -108.3 | -19 | 0 | 0 | 112.2 | |||||
| 419 | S | 31.3 | Very low | 32.7 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | 70.3 | 119.6 | 97.1 | 48.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 420 | D | 31.7 | Very low | 32.5 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | 173 | -176.6 | 83.6 | -100.4 | -22.8 | 0 | 0 | 0 | 109.9 | |||||
| 421 | P | 45.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | -131.4 | 170 | -64.8 | 37.2 | -17.6 | 0 | 0 | 0 | 112.8 | |||||
| 422 | G | 26.6 | Very low | 32.5 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -164.1 | 123.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 423 | Q | 31.6 | Very low | 33.1 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -73.5 | 153.7 | -159.1 | -73.4 | 171.7 | -7.4 | 0 | 0 | 119 | ||||
| 424 | C | 23.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 123 Ų | 123 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 61.6 | 139.6 | 140.5 | -65.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 425 | S | 28.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | cis | -154 | 150.1 | 35.2 | -72.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 426 | D | 27.8 | Very low | 32.5 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -7.1 | 131.5 | 145.2 | -98.7 | -37.1 | 0 | 0 | 0 | 119.2 | ||||
| 427 | Q | 32.2 | Very low | 31.9 | Very low | 180 Ų | 180 | 129.7 Ų | 129.7 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | -174.2 | 116.4 | 105.9 | -101.8 | 170.6 | 59.4 | 0 | 0 | 111.6 | |||||
| 428 | S | 31.1 | Very low | 32.7 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | trans | -66.2 | 138.5 | 160.4 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 429 | H | 31 | Very low | 32.8 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -163.9 | 113.9 | 137.6 | -84.5 | -56.6 | 0 | 0 | 0 | 109.2 | ||||
| 430 | G | 31.4 | Very low | 33.1 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -80.7 | 162.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 431 | P | 34 | Very low | 33.7 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | -136.4 | 159.9 | 119.4 | 30.7 | -15.2 | 0 | 0 | 0 | 114.7 | |||||
| 432 | S | 30.3 | Very low | 33.5 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -72.8 | 175.2 | -179.3 | -92.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 433 | P | 45.7 | Very low | 34.2 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -97 | 160.3 | -146.6 | 38.3 | -34.1 | 0 | 0 | 0 | 113.8 | ||||
| 434 | A | 29.3 | Very low | 34.8 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -138.7 | 115.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 435 | H | 30.7 | Very low | 36.2 | Very low | 190 Ų | 190 | 129 Ų | 129 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | 59.8 | 128.9 | 137.3 | -66 | -78.2 | 0 | 0 | 0 | 122.6 | ||||
| 436 | I | 33 | Very low | 37 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -88.8 | 146.4 | -178.1 | -54.8 | 149.8 | 0 | 0 | 0 | 109.2 | ||||
| 437 | S | 33.3 | Very low | 37.9 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -149.7 | 141.9 | 149.4 | -64.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 438 | P | 46.5 | Very low | 38.6 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -99.6 | 174.2 | -167.3 | 38.5 | -33.6 | 0 | 0 | 0 | 114.2 | ||||
| 439 | T | 32.8 | Very low | 39.4 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 94.7 | 152.7 | 161.3 | 54.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 440 | P | 38.2 | Very low | 40.4 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | cis | -122.5 | 169.5 | -31.5 | 31.4 | -12.9 | 0 | 0 | 0 | 112.4 | ||||
| 441 | A | 44.5 | Very low | 42.1 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -67.4 | 146.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 442 | P | 40.8 | Very low | 43.4 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -114.8 | 131.2 | 150.9 | 32.3 | -19.9 | 0 | 0 | 0 | 111.9 | ||||
| 443 | D | 42.8 | Very low | 45.9 | Very low | 155 Ų | 155 | 121.5 Ų | 121.5 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | 1.1 | 125.1 | 162.7 | -60.4 | -43.1 | 0 | 0 | 0 | 120.1 | ||||
| 444 | N | 43.6 | Very low | 47.3 | Very low | 163 Ų | 163 | 125 Ų | 125 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 128.5 | 163.4 | -74.9 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 445 | P | 53.6 | Low | 49.8 | Very low | 107 Ų | 107 | 125 Ų | 125 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 156.1 | 162.3 | 29 | -31 | 0 | 0 | 0 | 110.8 | Q447 | P445-Q447 PolarHBondContact O-N 2.81Š|
| 446 | P | 43.6 | Very low | 51.4 | Low | 128 Ų | 128 | 121.3 Ų | 121.3 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 124.3 | -166.7 | 26.6 | -33.6 | 0 | 0 | 0 | 111.3 | A448 | P446-A448 PolarHBondContact O-N 2.81Š|
| 447 | Q | 47 | Very low | 53.7 | Low | 176 Ų | 176 | 119.7 Ų | 119.7 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.3 | 167.2 | -78.6 | -178.3 | -15.4 | 0 | 0 | 109.4 | P445 | P445-Q447 PolarHBondContact O-N 2.81Š|
| 448 | A | 47.1 | Very low | 56 | Low | 81 Ų | 81 | 117.5 Ų | 117.5 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 146 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | P446 T450 | P446-A448 PolarHBondContact O-N 2.81Å; A448-T450 PolarHBondContact O-N 2.66Å; A448-T450 VanDerWaalsContact O-N 3.1Å |
| 449 | P | 48.4 | Very low | 57.7 | Low | 118 Ų | 118 | 115 Ų | 115 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 120.3 | -173.4 | 24.3 | -33.4 | 0 | 0 | 0 | 110.3 | V451 | P449-V451 PolarHBondContact O-N 2.79Š|
| 450 | T | 51.4 | Low | 60 | Low | 115 Ų | 115 | 113 Ų | 113 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | trans | -63.3 | 105.8 | 170.9 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | A448 T452 | A448-T450 PolarHBondContact O-N 2.66Å; A448-T450 VanDerWaalsContact O-N 3.1Å; T450-T452 PolarHBondContact O-N 3.46Å; T450-T452 VanDerWaalsContact O-N 3.15Å | ||
| 451 | V | 67.6 | Low | 61.9 | Low | 85 Ų | 85 | 109.5 Ų | 109.5 | 52% | 0.515 | 63% | 0.634 | S | S | . | * | trans | -73.6 | 106.2 | 174.5 | -171.7 | 0 | 0 | 0 | 0 | 108 | P449 F453 | P449-V451 PolarHBondContact O-N 2.79Å; V451-F453 HydrophobicContact CB-CZ 4.21Å; V451-F453 HydrophobicContact CG1-CD1 4.21Å; V451-F453 HydrophobicContact CG1-CE1 3.53Å; V451-F453 HydrophobicContact CG1-CE2 4.35Å; V451-F453 HydrophobicContact CG1-CZ 3.6Å | ||
| 452 | T | 60.8 | Low | 63.9 | Low | 111 Ų | 111 | 109 Ų | 109 | 68% | 0.681 | 61% | 0.612 | S | S | * | * | trans | -95.7 | 113.6 | 174.7 | 56 | 0 | 0 | 0 | 0 | 109.6 | T450 | T450-T452 PolarHBondContact O-N 3.46Å; T450-T452 VanDerWaalsContact O-N 3.15Å | ||
| 453 | F | 83.8 | Confident | 65.4 | Low | 61 Ų | 61 | 109 Ų | 109 | 27% | 0.268 | 60% | 0.597 | S | S | . | * | trans | -80.2 | 131.3 | 176.3 | -54.4 | -71.5 | 0 | 0 | 0 | 110.8 | V451 M459 Y462 | V451-F453 HydrophobicContact CB-CZ 4.21Å; V451-F453 HydrophobicContact CG1-CD1 4.21Å; V451-F453 HydrophobicContact CG1-CE1 3.53Å; V451-F453 HydrophobicContact CG1-CE2 4.35Å; V451-F453 HydrophobicContact CG1-CZ 3.6Å; F453-M459 HydrophobicContact CB-CB 3.96Å; F453-M459 HydrophobicContact CD1-CB 4.32Å; F453-M459 HydrophobicContact CD2-CB 4.07Å; F453-M459 HydrophobicContact CD2-CG 4.01Å; F453-M459 HydrophobicContact CE2-CG 4.41Å; F453-M459 HydrophobicContact CG-CB 3.84Å; F453-M459 HydrophobicContact CG-CG 4.29Å; F453-Y462 VanDerWaalsContact CE1-CB 3.48Å; F453-Y462 AromaticContact CE1-CD1 3.92Å; F453-Y462 HydrophobicContact CE1-CD1 3.92Å; F453-Y462 AromaticContact CE1-CD2 3.89Å; F453-Y462 HydrophobicContact CE1-CD2 3.89Å; F453-Y462 AromaticContact CE1-CG 3.48Å; F453-Y462 HydrophobicContact CE1-CG 3.48Å; F453-Y462 VanDerWaalsContact CE1-CG 3.48Å; F453-Y462 HydrophobicContact CE2-CD1 4.4Å; F453-Y462 AromaticContact CZ-CD1 3.41Å; F453-Y462 HydrophobicContact CZ-CD1 3.41Å; F453-Y462 VanDerWaalsContact CZ-CD1 3.41Å; F453-Y462 HydrophobicContact CZ-CD2 4.05Å; F453-Y462 AromaticContact CZ-CE1 3.88Å; F453-Y462 HydrophobicContact CZ-CE1 3.88Å; F453-Y462 HydrophobicContact CZ-CE2 4.45Å; F453-Y462 AromaticContact CZ-CG 3.5Å; F453-Y462 HydrophobicContact CZ-CG 3.5Å | ||
| 454 | K | 75 | Confident | 66.8 | Low | 195 Ų | 195 | 109.4 Ų | 109.4 | 85% | 0.848 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -88.6 | -26.1 | -179.1 | -69.7 | -178.9 | -179.4 | 173.8 | 0 | 112.8 | D458 | K454-D458 PolarHBondContact N-OD2 3.36Š|
| 455 | T | 80.6 | Confident | 67.3 | Low | 88 Ų | 88 | 109.3 Ų | 109.3 | 54% | 0.54 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -137.6 | 157.9 | -177.4 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | D457 D458 M459 | T455-D457 PolarHBondContact O-N 2.77Å; T455-D458 WeakPolarHBondContact O-CB 3.45Å; T455-D458 PolarHBondContact O-N 3.09Å; T455-D458 WeakPolarHBondContact OG1-CB 3.43Å; T455-M459 PolarHBondContact O-N 3.12Å |
| 456 | L | 65.9 | Low | 67.3 | Low | 114 Ų | 114 | 109 Ų | 109 | 60% | 0.597 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.3 | -35.7 | -179.9 | -169.6 | 81.8 | 0 | 0 | 0 | 111.8 | M459 I460 | L456-M459 HydrophobicContact CD1-CE 3.79Å; L456-M459 PolarHBondContact O-N 3.49Å; L456-I460 HydrophobicContact CD2-CD1 4.21Å; L456-I460 HydrophobicContact CG-CD1 3.94Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.28Å; L456-I460 PolarHBondContact O-N 3.42Å |
| 457 | D | 80.5 | Confident | 67.2 | Low | 121 Ų | 121 | 111 Ų | 111 | 65% | 0.647 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.6 | -33.4 | -179.1 | -152.5 | 38.5 | 0 | 0 | 0 | 112 | T455 S461 | T455-D457 PolarHBondContact O-N 2.77Å; D457-S461 WeakPolarHBondContact O-CB 3.35Å; D457-S461 PolarHBondContact O-N 2.82Å; D457-S461 PolarHBondContact O-OG 3Å |
| 458 | D | 82.5 | Confident | 68.2 | Low | 71 Ų | 71 | 107.7 Ų | 107.7 | 38% | 0.38 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.3 | -45.4 | 174.6 | -177.7 | 33.6 | 0 | 0 | 0 | 111.3 | K454 T455 S461 Y462 | K454-D458 PolarHBondContact N-OD2 3.36Å; T455-D458 WeakPolarHBondContact O-CB 3.45Å; T455-D458 PolarHBondContact O-N 3.09Å; T455-D458 WeakPolarHBondContact OG1-CB 3.43Å; D458-S461 PolarHBondContact O-N 3.15Å; D458-Y462 WeakPolarHBondContact O-CB 3.11Å; D458-Y462 PolarHBondContact O-N 3.3Å |
| 459 | M | 82.2 | Confident | 69.3 | Low | 56 Ų | 56 | 109.1 Ų | 109.1 | 28% | 0.276 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.5 | -46 | 174.5 | -177.4 | -171.3 | 60.8 | 0 | 0 | 112.1 | F453 T455 L456 S461 Y462 Y463 | F453-M459 HydrophobicContact CB-CB 3.96Å; F453-M459 HydrophobicContact CD1-CB 4.32Å; F453-M459 HydrophobicContact CD2-CB 4.07Å; F453-M459 HydrophobicContact CD2-CG 4.01Å; F453-M459 HydrophobicContact CE2-CG 4.41Å; F453-M459 HydrophobicContact CG-CB 3.84Å; F453-M459 HydrophobicContact CG-CG 4.29Å; T455-M459 PolarHBondContact O-N 3.12Å; L456-M459 HydrophobicContact CD1-CE 3.79Å; L456-M459 PolarHBondContact O-N 3.49Å; M459-S461 VanDerWaalsContact C-N 3.33Å; M459-S461 PolarHBondContact O-N 3.3Å; M459-Y462 PolarHBondContact O-N 2.71Å; M459-Y463 HydrophobicContact CG-CD2 4.12Å; M459-Y463 HydrophobicContact CG-CE2 4Å; M459-Y463 WeakPolarHBondContact O-CD2 3.43Å; M459-Y463 PolarHBondContact O-N 2.75Å |
| 460 | I | 79.8 | Confident | 70.5 | Confident | 90 Ų | 90 | 108.6 Ų | 108.6 | 46% | 0.462 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.3 | -38.3 | -179.6 | -67.8 | 168.5 | 0 | 0 | 0 | 110.7 | L456 K464 | L456-I460 HydrophobicContact CD2-CD1 4.21Å; L456-I460 HydrophobicContact CG-CD1 3.94Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.28Å; L456-I460 PolarHBondContact O-N 3.42Å; I460-K464 WeakPolarHBondContact O-CB 3.49Å; I460-K464 PolarHBondContact O-N 3.34Å; I460-K464 VanDerWaalsContact O-N 3.12Å |
| 461 | S | 78.9 | Confident | 71.6 | Confident | 45 Ų | 45 | 108.2 Ų | 108.2 | 32% | 0.315 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.1 | -41 | 177.2 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | D457 D458 M459 Y463 K464 Q465 | D457-S461 WeakPolarHBondContact O-CB 3.35Å; D457-S461 PolarHBondContact O-N 2.82Å; D457-S461 PolarHBondContact O-OG 3Å; D458-S461 PolarHBondContact O-N 3.15Å; M459-S461 VanDerWaalsContact C-N 3.33Å; M459-S461 PolarHBondContact O-N 3.3Å; S461-Y463 PolarHBondContact O-N 2.93Å; S461-K464 PolarHBondContact O-N 3.05Å; S461-K464 VanDerWaalsContact O-N 3.16Å; S461-Q465 WeakPolarHBondContact O-CG 3.47Å; S461-Q465 PolarHBondContact O-N 3.48Å; S461-Q465 VanDerWaalsContact O-N 3.12Å |
| 462 | Y | 85.3 | Confident | 71.8 | Confident | 89 Ų | 89 | 109.7 Ų | 109.7 | 35% | 0.349 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.2 | -50 | 175.4 | 177.4 | -97.1 | 0 | 0 | 0 | 111.9 | F453 D458 M459 K464 Q465 V466 | F453-Y462 VanDerWaalsContact CE1-CB 3.48Å; F453-Y462 AromaticContact CE1-CD1 3.92Å; F453-Y462 HydrophobicContact CE1-CD1 3.92Å; F453-Y462 AromaticContact CE1-CD2 3.89Å; F453-Y462 HydrophobicContact CE1-CD2 3.89Å; F453-Y462 AromaticContact CE1-CG 3.48Å; F453-Y462 HydrophobicContact CE1-CG 3.48Å; F453-Y462 VanDerWaalsContact CE1-CG 3.48Å; F453-Y462 HydrophobicContact CE2-CD1 4.4Å; F453-Y462 AromaticContact CZ-CD1 3.41Å; F453-Y462 HydrophobicContact CZ-CD1 3.41Å; F453-Y462 VanDerWaalsContact CZ-CD1 3.41Å; F453-Y462 HydrophobicContact CZ-CD2 4.05Å; F453-Y462 AromaticContact CZ-CE1 3.88Å; F453-Y462 HydrophobicContact CZ-CE1 3.88Å; F453-Y462 HydrophobicContact CZ-CE2 4.45Å; F453-Y462 AromaticContact CZ-CG 3.5Å; F453-Y462 HydrophobicContact CZ-CG 3.5Å; D458-Y462 WeakPolarHBondContact O-CB 3.11Å; D458-Y462 PolarHBondContact O-N 3.3Å; M459-Y462 PolarHBondContact O-N 2.71Å; Y462-K464 PolarHBondContact O-N 3.13Å; Y462-Q465 PolarHBondContact O-N 3.28Å; Y462-V466 HydrophobicContact CE1-CG2 4.31Å; Y462-V466 HydrophobicContact CE2-CG2 4.33Å; Y462-V466 VanDerWaalsContact O-CG2 3.25Å; Y462-V466 WeakPolarHBondContact O-CG2 3.48Å; Y462-V466 PolarHBondContact O-N 3.13Å |
| 463 | Y | 73.1 | Confident | 72.6 | Confident | 120 Ų | 120 | 109.6 Ų | 109.6 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.1 | -17.8 | 179.3 | -73.4 | -70.7 | 0 | 0 | 0 | 114 | M459 S461 | M459-Y463 HydrophobicContact CG-CD2 4.12Å; M459-Y463 HydrophobicContact CG-CE2 4Å; M459-Y463 WeakPolarHBondContact O-CD2 3.43Å; M459-Y463 PolarHBondContact O-N 2.75Å; S461-Y463 PolarHBondContact O-N 2.93Å |
| 464 | K | 71.9 | Confident | 71.8 | Confident | 164 Ų | 164 | 113.1 Ų | 113.1 | 71% | 0.713 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -80.7 | -22.2 | 174.3 | -165.3 | 179.6 | 178.4 | -164.4 | 0 | 113 | I460 S461 Y462 | I460-K464 WeakPolarHBondContact O-CB 3.49Å; I460-K464 PolarHBondContact O-N 3.34Å; I460-K464 VanDerWaalsContact O-N 3.12Å; S461-K464 PolarHBondContact O-N 3.05Å; S461-K464 VanDerWaalsContact O-N 3.16Å; Y462-K464 PolarHBondContact O-N 3.13Å |
| 465 | Q | 54.7 | Low | 71.5 | Confident | 160 Ų | 160 | 106.8 Ų | 106.8 | 75% | 0.748 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -93.6 | -16.9 | 179 | -69.3 | 174.6 | 9.1 | 0 | 0 | 113.2 | S461 Y462 | S461-Q465 WeakPolarHBondContact O-CG 3.47Å; S461-Q465 PolarHBondContact O-N 3.48Å; S461-Q465 VanDerWaalsContact O-N 3.12Å; Y462-Q465 PolarHBondContact O-N 3.28Å |
| 466 | V | 53.9 | Low | 70.8 | Confident | 100 Ų | 100 | 108.3 Ų | 108.3 | 61% | 0.606 | 55% | 0.55 | S | S | * | * | trans | -92.6 | -5.3 | -176.9 | 176 | 0 | 0 | 0 | 0 | 113 | Y462 | Y462-V466 HydrophobicContact CE1-CG2 4.31Å; Y462-V466 HydrophobicContact CE2-CG2 4.33Å; Y462-V466 VanDerWaalsContact O-CG2 3.25Å; Y462-V466 WeakPolarHBondContact O-CG2 3.48Å; Y462-V466 PolarHBondContact O-N 3.13Å | ||
| 467 | T | 40.8 | Very low | 71.2 | Confident | 170 Ų | 170 | 107.8 Ų | 107.8 | 100% | 1.043 | 55% | 0.546 | S | S | * | . | trans | -102.7 | 0 | 168.4 | 55.3 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 467 of 467 residues in 152.1 ms
(Link to these results)