| 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 | 28.5 | Very low | 30 | Very low | 242 Ų | 242 | 159.5 Ų | 159.5 | 100% | 1.192 | 86% | 0.864 | S | S | * | * | 0 | 95.1 | 0 | -75.9 | 173.6 | -179.7 | 0 | 0 | 107.3 | |||||
| 2 | N | 28.6 | Very low | 30 | Very low | 168 Ų | 168 | 159.2 Ų | 159.2 | 90% | 0.898 | 86% | 0.86 | S | S | * | * | trans | -118.4 | 118 | -175.6 | -77.1 | -19.7 | 0 | 0 | 0 | 107 | ||||
| 3 | S | 30.2 | Very low | 30.1 | Very low | 116 Ų | 116 | 155.9 Ų | 155.9 | 81% | 0.811 | 86% | 0.856 | S | S | * | * | trans | -160.3 | 85.9 | 164.1 | -167.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | I | 29.1 | Very low | 30.1 | Very low | 175 Ų | 175 | 161.6 Ų | 161.6 | 90% | 0.897 | 86% | 0.859 | S | S | * | * | trans | -146.2 | 84.2 | 147.2 | -52.6 | -178.1 | 0 | 0 | 0 | 107.3 | ||||
| 5 | K | 33.9 | Very low | 30.1 | Very low | 192 Ų | 192 | 166.8 Ų | 166.8 | 84% | 0.835 | 86% | 0.862 | S | S | * | * | trans | -131.9 | 107.3 | 155.7 | -83.7 | -173.8 | 178.3 | -179.6 | 0 | 105 | ||||
| 6 | N | 28.5 | Very low | 30.5 | Very low | 158 Ų | 158 | 164.3 Ų | 164.3 | 85% | 0.845 | 86% | 0.859 | S | S | * | * | trans | 170.8 | 101.7 | 150.4 | -86.2 | -14.6 | 0 | 0 | 0 | 108.5 | ||||
| 7 | V | 28.1 | Very low | 30.7 | Very low | 140 Ų | 140 | 156.4 Ų | 156.4 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -81.3 | 123.8 | 152.2 | 179.2 | 0 | 0 | 0 | 0 | 105.1 | A9 | V7-A9 PolarHBondContact O-N 3.15Å; V7-A9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | P | 29.8 | Very low | 31.4 | Very low | 110 Ų | 110 | 155.4 Ų | 155.4 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | trans | -75 | 107.2 | -175.7 | 17.2 | -12.1 | 0 | 0 | 0 | 110.4 | R10 | P8-R10 PolarHBondContact O-N 3.03Š| ||
| 9 | A | 33.4 | Very low | 32 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -75.4 | 102.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V7 | V7-A9 PolarHBondContact O-N 3.15Å; V7-A9 VanDerWaalsContact O-N 3.12Å | ||
| 10 | R | 28.9 | Very low | 32.6 | Very low | 228 Ų | 228 | 150.7 Ų | 150.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -111.6 | 113.5 | 171.5 | -107.4 | -175.7 | 172.9 | 178.7 | -2.2 | 110.6 | P8 | P8-R10 PolarHBondContact O-N 3.03Š| ||
| 11 | V | 31.5 | Very low | 33.2 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | 66.7 | 84.4 | 152.1 | -162 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 12 | L | 29.1 | Very low | 34.2 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -123.1 | 88.7 | 144.1 | -73.8 | 172.4 | 0 | 0 | 0 | 108.1 | ||||
| 13 | S | 32.4 | Very low | 35.7 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -105.5 | 80.7 | 162.1 | 156.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 14 | R | 29.1 | Very low | 37.6 | Very low | 235 Ų | 235 | 138.6 Ų | 138.6 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -108.9 | 136.9 | 160.9 | -88.5 | -174.3 | 172.1 | -163 | -2 | 108.3 | ||||
| 15 | R | 30.9 | Very low | 39.7 | Very low | 240 Ų | 240 | 136.2 Ų | 136.2 | 91% | 0.906 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 156.2 | 173.6 | -85.5 | 179.2 | 179 | 175.6 | -0.3 | 110.4 | G17 | R15-G17 PolarHBondContact O-N 3.22Å; R15-G17 VanDerWaalsContact O-N 3.17Å |
| 16 | P | 35.7 | Very low | 41.7 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 117.5 | -161 | 25.8 | -33.3 | 0 | 0 | 0 | 111 | ||
| 17 | G | 33.9 | Very low | 44.3 | Very low | 31 Ų | 31 | 126.6 Ų | 126.6 | 32% | 0.32 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 162.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R15 | R15-G17 PolarHBondContact O-N 3.22Å; R15-G17 VanDerWaalsContact O-N 3.17Å |
| 18 | H | 43.8 | Very low | 46.8 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 64% | 0.644 | 62% | 0.624 | S | S | * | * | trans | -39.6 | 144 | 173.8 | -79.7 | -90.8 | 0 | 0 | 0 | 111.7 | L20 E21 A22 | H18-L20 CarbonylContact O-C 3.22Å; H18-L20 PolarHBondContact O-N 3.24Å; H18-E21 WeakPolarHBondContact O-CA 3.49Å; H18-E21 PolarHBondContact O-N 3.46Å; H18-A22 PolarHBondContact O-N 3.16Å; H18-A22 VanDerWaalsContact O-N 3.07Å | ||
| 19 | S | 43.3 | Very low | 49.4 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -41.8 | -38.4 | -178.4 | -161 | 0 | 0 | 0 | 0 | 113.4 | A22 E23 | S19-A22 PolarHBondContact O-N 3.46Å; S19-E23 WeakPolarHBondContact O-CB 3.43Å; S19-E23 VanDerWaalsContact O-CD 3.29Å; S19-E23 WeakPolarHBondContact O-CG 3.49Å; S19-E23 PolarHBondContact O-N 2.81Å; S19-E23 PolarHBondContact OG-OE1 3.42Å |
| 20 | L | 43.8 | Very low | 51.8 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.9 | -34.2 | 178.1 | -61 | 174.4 | 0 | 0 | 0 | 114.6 | H18 R24 | H18-L20 CarbonylContact O-C 3.22Å; H18-L20 PolarHBondContact O-N 3.24Å; L20-R24 VanDerWaalsContact O-CB 3.23Å; L20-R24 WeakPolarHBondContact O-CB 3.49Å; L20-R24 PolarHBondContact O-N 2.88Å |
| 21 | E | 45.1 | Very low | 54.7 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.7 | -38.3 | 173 | -74.4 | -178 | 168.6 | 0 | 0 | 111.1 | H18 R24 E25 | H18-E21 WeakPolarHBondContact O-CA 3.49Å; H18-E21 PolarHBondContact O-N 3.46Å; E21-R24 PolarHBondContact O-N 3.36Å; E21-E25 VanDerWaalsContact O-CB 3.26Å; E21-E25 WeakPolarHBondContact O-CB 3.4Å; E21-E25 PolarHBondContact O-N 2.82Å |
| 22 | A | 49.7 | Very low | 57.3 | Low | 43 Ų | 43 | 104.5 Ų | 104.5 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H18 S19 Q26 | H18-A22 PolarHBondContact O-N 3.16Å; H18-A22 VanDerWaalsContact O-N 3.07Å; S19-A22 PolarHBondContact O-N 3.46Å; A22-Q26 WeakPolarHBondContact O-CB 3.32Å; A22-Q26 PolarHBondContact O-N 3.49Å |
| 23 | E | 59.4 | Low | 60.1 | Low | 108 Ų | 108 | 100.8 Ų | 100.8 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 173.2 | -77.9 | 161.2 | -145.3 | 0 | 0 | 111.4 | S19 Q26 F27 | S19-E23 WeakPolarHBondContact O-CB 3.43Å; S19-E23 VanDerWaalsContact O-CD 3.29Å; S19-E23 WeakPolarHBondContact O-CG 3.49Å; S19-E23 PolarHBondContact O-N 2.81Å; S19-E23 PolarHBondContact OG-OE1 3.42Å; E23-Q26 PolarHBondContact O-N 3.34Å; E23-F27 VanDerWaalsContact O-CB 3.25Å; E23-F27 WeakPolarHBondContact O-CB 3.23Å; E23-F27 PolarHBondContact O-N 3.36Å |
| 24 | R | 70.4 | Confident | 62.9 | Low | 159 Ų | 159 | 95.2 Ų | 95.2 | 60% | 0.6 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.4 | -44.1 | 175.2 | -173.7 | 175.2 | -178.2 | -179.2 | 3.9 | 112.2 | L20 E21 Q26 F27 D28 | L20-R24 VanDerWaalsContact O-CB 3.23Å; L20-R24 WeakPolarHBondContact O-CB 3.49Å; L20-R24 PolarHBondContact O-N 2.88Å; E21-R24 PolarHBondContact O-N 3.36Å; R24-Q26 VanDerWaalsContact C-N 3.33Å; R24-Q26 PolarHBondContact O-N 2.92Å; R24-F27 WeakPolarHBondContact O-CB 3.2Å; R24-F27 PolarHBondContact O-N 3.28Å; R24-D28 WeakPolarHBondContact O-CB 3.31Å; R24-D28 PolarHBondContact O-N 2.9Å |
| 25 | E | 72.9 | Confident | 66 | Low | 125 Ų | 125 | 84.1 Ų | 84.1 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | 176.4 | -172.6 | 178.9 | 179.9 | 0 | 0 | 111.1 | E21 D28 K29 | E21-E25 VanDerWaalsContact O-CB 3.26Å; E21-E25 WeakPolarHBondContact O-CB 3.4Å; E21-E25 PolarHBondContact O-N 2.82Å; E25-D28 PolarHBondContact O-N 3.39Å; E25-K29 WeakPolarHBondContact O-CB 3.48Å; E25-K29 PolarHBondContact O-N 3.46Å |
| 26 | Q | 75.8 | Confident | 68.9 | Low | 111 Ų | 111 | 76.3 Ų | 76.3 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 175 | -177.5 | 63.7 | 7.1 | 0 | 0 | 111.8 | A22 E23 R24 T30 | A22-Q26 WeakPolarHBondContact O-CB 3.32Å; A22-Q26 PolarHBondContact O-N 3.49Å; E23-Q26 PolarHBondContact O-N 3.34Å; R24-Q26 VanDerWaalsContact C-N 3.33Å; R24-Q26 PolarHBondContact O-N 2.92Å; Q26-T30 VanDerWaalsContact O-CB 3.27Å; Q26-T30 WeakPolarHBondContact O-CB 3.41Å; Q26-T30 PolarHBondContact O-N 3.46Å; Q26-T30 PolarHBondContact O-OG1 3.04Å |
| 27 | F | 83.1 | Confident | 71.6 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 16% | 0.162 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.1 | -52.1 | 172.4 | 172.3 | -95.6 | 0 | 0 | 0 | 111 | E23 R24 K29 T30 Q31 H60 | E23-F27 VanDerWaalsContact O-CB 3.25Å; E23-F27 WeakPolarHBondContact O-CB 3.23Å; E23-F27 PolarHBondContact O-N 3.36Å; R24-F27 WeakPolarHBondContact O-CB 3.2Å; R24-F27 PolarHBondContact O-N 3.28Å; F27-K29 VanDerWaalsContact C-N 3.3Å; F27-K29 PolarHBondContact O-N 2.96Å; F27-T30 CarbonylContact O-C 3.6Å; F27-T30 PolarHBondContact O-N 3.2Å; F27-Q31 HydrophobicContact CD1-CG 4.24Å; F27-Q31 HydrophobicContact CD2-CG 4.37Å; F27-Q31 HydrophobicContact CE1-CG 3.8Å; F27-Q31 HydrophobicContact CE2-CG 3.95Å; F27-Q31 HydrophobicContact CZ-CG 3.65Å; F27-Q31 WeakPolarHBondContact O-CB 3.48Å; F27-Q31 WeakPolarHBondContact O-CG 3.36Å; F27-Q31 PolarHBondContact O-N 2.99Å; F27-H60 AromaticContact CD2-CE1 3.94Å; F27-H60 AromaticContact CD2-ND1 3.57Å; F27-H60 HydrophobicContact CE2-CB 3.9Å; F27-H60 AromaticContact CE2-CG 3.73Å; F27-H60 AromaticContact CE2-ND1 3.27Å; F27-H60 VanDerWaalsContact CE2-ND1 3.27Å; F27-H60 WeakPolarHBondContact CE2-ND1 3.41Å; F27-H60 HydrophobicContact CZ-CB 4.16Å; F27-H60 AromaticContact CZ-ND1 3.51Å |
| 28 | D | 81.4 | Confident | 74.4 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 20% | 0.198 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 179.8 | -74.1 | -20.5 | 0 | 0 | 0 | 111 | R24 E25 T30 Q31 A32 T66 | R24-D28 WeakPolarHBondContact O-CB 3.31Å; R24-D28 PolarHBondContact O-N 2.9Å; E25-D28 PolarHBondContact O-N 3.39Å; D28-T30 PolarHBondContact O-N 3.38Å; D28-Q31 PolarHBondContact O-N 2.98Å; D28-A32 VanDerWaalsContact O-CB 3.32Å; D28-A32 WeakPolarHBondContact O-CB 3.38Å; D28-A32 PolarHBondContact O-N 3.18Å; D28-T66 PolarHBondContact OD1-OG1 2.82Å |
| 29 | K | 83.5 | Confident | 76.9 | Confident | 125 Ų | 125 | 67.4 Ų | 67.4 | 54% | 0.543 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 174 | -172.5 | 178.1 | -177.5 | -179.6 | 0 | 112.2 | E25 F27 A32 I33 | E25-K29 WeakPolarHBondContact O-CB 3.48Å; E25-K29 PolarHBondContact O-N 3.46Å; F27-K29 VanDerWaalsContact C-N 3.3Å; F27-K29 PolarHBondContact O-N 2.96Å; K29-A32 PolarHBondContact O-N 3.38Å; K29-I33 HydrophobicContact CG-CD1 4.2Å; K29-I33 WeakPolarHBondContact O-CD1 3.46Å; K29-I33 WeakPolarHBondContact O-CG1 3.47Å; K29-I33 PolarHBondContact O-N 3.42Å |
| 30 | T | 83.4 | Confident | 79.3 | Confident | 44 Ų | 44 | 65 Ų | 65 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.3 | -39 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | Q26 F27 D28 S34 | Q26-T30 VanDerWaalsContact O-CB 3.27Å; Q26-T30 WeakPolarHBondContact O-CB 3.41Å; Q26-T30 PolarHBondContact O-N 3.46Å; Q26-T30 PolarHBondContact O-OG1 3.04Å; F27-T30 CarbonylContact O-C 3.6Å; F27-T30 PolarHBondContact O-N 3.2Å; D28-T30 PolarHBondContact O-N 3.38Å; T30-S34 WeakPolarHBondContact O-CB 3.31Å; T30-S34 PolarHBondContact O-N 3.35Å; T30-S34 PolarHBondContact O-OG 3.39Å |
| 31 | Q | 89.8 | Confident | 81.6 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 172.4 | -75.5 | -57.8 | -36.1 | 0 | 0 | 110.9 | F27 D28 I33 S34 I35 R53 G57 T66 | F27-Q31 HydrophobicContact CD1-CG 4.24Å; F27-Q31 HydrophobicContact CD2-CG 4.37Å; F27-Q31 HydrophobicContact CE1-CG 3.8Å; F27-Q31 HydrophobicContact CE2-CG 3.95Å; F27-Q31 HydrophobicContact CZ-CG 3.65Å; F27-Q31 WeakPolarHBondContact O-CB 3.48Å; F27-Q31 WeakPolarHBondContact O-CG 3.36Å; F27-Q31 PolarHBondContact O-N 2.99Å; D28-Q31 PolarHBondContact O-N 2.98Å; Q31-I33 VanDerWaalsContact C-N 3.32Å; Q31-I33 PolarHBondContact O-N 3.26Å; Q31-S34 PolarHBondContact O-N 3.48Å; Q31-I35 VanDerWaalsContact O-CG1 3.28Å; Q31-I35 WeakPolarHBondContact O-CG1 3.45Å; Q31-I35 PolarHBondContact O-N 3.36Å; Q31-R53 PolarHBondContact NE2-O 3.44Å; Q31-G57 VanDerWaalsContact NE2-CA 3.27Å; Q31-T66 HydrophobicContact CB-CG2 3.62Å; Q31-T66 HydrophobicContact CG-CG2 4.08Å |
| 32 | A | 87 | Confident | 83.8 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 19% | 0.19 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.1 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D28 K29 S34 I35 S36 Y70 | D28-A32 VanDerWaalsContact O-CB 3.32Å; D28-A32 WeakPolarHBondContact O-CB 3.38Å; D28-A32 PolarHBondContact O-N 3.18Å; K29-A32 PolarHBondContact O-N 3.38Å; A32-S34 VanDerWaalsContact C-N 3.34Å; A32-S34 PolarHBondContact O-N 3.45Å; A32-I35 PolarHBondContact O-N 3.46Å; A32-S36 WeakPolarHBondContact O-CB 3.46Å; A32-S36 PolarHBondContact O-N 3.33Å; A32-Y70 HydrophobicContact CB-CD1 4.12Å; A32-Y70 HydrophobicContact CB-CD2 4.1Å; A32-Y70 HydrophobicContact CB-CE1 3.75Å; A32-Y70 HydrophobicContact CB-CE2 3.71Å; A32-Y70 HydrophobicContact CB-CG 4.31Å |
| 33 | I | 87.3 | Confident | 85.7 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.2 | -69.5 | 164.4 | 0 | 0 | 0 | 110.7 | K29 Q31 K37 | K29-I33 HydrophobicContact CG-CD1 4.2Å; K29-I33 WeakPolarHBondContact O-CD1 3.46Å; K29-I33 WeakPolarHBondContact O-CG1 3.47Å; K29-I33 PolarHBondContact O-N 3.42Å; Q31-I33 VanDerWaalsContact C-N 3.32Å; Q31-I33 PolarHBondContact O-N 3.26Å; I33-K37 HydrophobicContact CG2-CD 3.92Å; I33-K37 HydrophobicContact CG2-CG 4.42Å; I33-K37 WeakPolarHBondContact O-CB 3.46Å; I33-K37 VanDerWaalsContact O-CG 3.27Å; I33-K37 WeakPolarHBondContact O-CG 3.29Å; I33-K37 PolarHBondContact O-N 2.91Å |
| 34 | S | 92 | Very high | 87.2 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 179.9 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | T30 Q31 A32 K37 A38 | T30-S34 WeakPolarHBondContact O-CB 3.31Å; T30-S34 PolarHBondContact O-N 3.35Å; T30-S34 PolarHBondContact O-OG 3.39Å; Q31-S34 PolarHBondContact O-N 3.48Å; A32-S34 VanDerWaalsContact C-N 3.34Å; A32-S34 PolarHBondContact O-N 3.45Å; S34-K37 PolarHBondContact O-N 2.92Å; S34-A38 VanDerWaalsContact O-CB 3.24Å; S34-A38 WeakPolarHBondContact O-CB 3.44Å; S34-A38 PolarHBondContact O-N 3.35Å |
| 35 | I | 93.4 | Very high | 88.2 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.4 | -65.1 | 166.6 | 0 | 0 | 0 | 110.6 | Q31 A32 K37 A38 I39 I54 F67 Y70 L74 | Q31-I35 VanDerWaalsContact O-CG1 3.28Å; Q31-I35 WeakPolarHBondContact O-CG1 3.45Å; Q31-I35 PolarHBondContact O-N 3.36Å; A32-I35 PolarHBondContact O-N 3.46Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 3.5Å; I35-A38 PolarHBondContact O-N 3.38Å; I35-I39 HydrophobicContact CG2-CD1 4.09Å; I35-I39 WeakPolarHBondContact O-CB 3.49Å; I35-I39 PolarHBondContact O-N 2.96Å; I35-I54 HydrophobicContact CB-CD1 4.45Å; I35-I54 HydrophobicContact CG1-CD1 3.9Å; I35-I54 HydrophobicContact CG1-CG1 3.87Å; I35-F67 HydrophobicContact CD1-CD2 4.27Å; I35-F67 HydrophobicContact CG1-CD2 4.33Å; I35-Y70 HydrophobicContact CD1-CD2 3.98Å; I35-Y70 HydrophobicContact CD1-CG 4.35Å; I35-L74 HydrophobicContact CG2-CD1 4.41Å |
| 36 | S | 91.6 | Very high | 89.1 | Confident | 75 Ų | 75 | 49 Ų | 49 | 52% | 0.524 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 112.9 | A32 | A32-S36 WeakPolarHBondContact O-CB 3.46Å; A32-S36 PolarHBondContact O-N 3.33Å |
| 37 | K | 92.4 | Very high | 89.8 | Confident | 106 Ų | 106 | 49.9 Ų | 49.9 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -78.2 | -29.8 | 176.6 | -72.8 | -179.1 | -179 | 176 | 0 | 113 | I33 S34 I35 N40 H50 | I33-K37 HydrophobicContact CG2-CD 3.92Å; I33-K37 HydrophobicContact CG2-CG 4.42Å; I33-K37 WeakPolarHBondContact O-CB 3.46Å; I33-K37 VanDerWaalsContact O-CG 3.27Å; I33-K37 WeakPolarHBondContact O-CG 3.29Å; I33-K37 PolarHBondContact O-N 2.91Å; S34-K37 PolarHBondContact O-N 2.92Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 3.5Å; K37-N40 PolarHBondContact O-ND2 3.48Å; K37-H50 VanDerWaalsContact CB-CD2 3.43Å; K37-H50 WeakPolarHBondContact CB-CD2 3.5Å; K37-H50 VanDerWaalsContact CD-CE1 3.42Å; K37-H50 WeakPolarHBondContact CD-CE1 3.44Å; K37-H50 WeakPolarHBondContact CD-NE2 3.48Å |
| 38 | A | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -78.2 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S34 I35 V46 H50 I54 K85 V89 | S34-A38 VanDerWaalsContact O-CB 3.24Å; S34-A38 WeakPolarHBondContact O-CB 3.44Å; S34-A38 PolarHBondContact O-N 3.35Å; I35-A38 PolarHBondContact O-N 3.38Å; A38-V46 HydrophobicContact CB-CG1 4.03Å; A38-H50 HydrophobicContact CB-CB 4.03Å; A38-I54 HydrophobicContact CB-CD1 3.75Å; A38-K85 WeakPolarHBondContact O-CE 3.32Å; A38-V89 HydrophobicContact CB-CG2 4.05Å |
| 39 | I | 95.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -106.8 | 90.4 | -177 | -48.7 | 174.8 | 0 | 0 | 0 | 108.6 | I35 F67 L74 L82 F86 V89 | I35-I39 HydrophobicContact CG2-CD1 4.09Å; I35-I39 WeakPolarHBondContact O-CB 3.49Å; I35-I39 PolarHBondContact O-N 2.96Å; I39-F67 HydrophobicContact CD1-CE2 4.2Å; I39-L74 HydrophobicContact CB-CD1 4.02Å; I39-L74 HydrophobicContact CD1-CD1 3.92Å; I39-L74 HydrophobicContact CG2-CD1 3.69Å; I39-L82 HydrophobicContact CG2-CD1 3.77Å; I39-L82 HydrophobicContact CG2-CG 4.12Å; I39-L82 WeakPolarHBondContact O-CD1 3.32Å; I39-F86 HydrophobicContact CD1-CB 4.41Å; I39-F86 HydrophobicContact CD1-CD2 4.18Å; I39-F86 HydrophobicContact CG2-CB 3.97Å; I39-V89 HydrophobicContact CD1-CB 4.18Å; I39-V89 HydrophobicContact CD1-CG1 4.27Å; I39-V89 HydrophobicContact CD1-CG2 4.44Å; I39-V89 HydrophobicContact CG1-CB 4.14Å; I39-V89 HydrophobicContact CG1-CG1 4.47Å; I39-V89 HydrophobicContact CG1-CG2 3.86Å |
| 40 | N | 93.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | trans | -136.4 | 171.8 | 179.1 | 63.1 | 49.2 | 0 | 0 | 0 | 111.2 | K37 Q42 K85 | K37-N40 PolarHBondContact O-ND2 3.48Å; N40-Q42 VanDerWaalsContact C-N 3.27Å; N40-Q42 PolarHBondContact O-N 3.47Å; N40-Q42 VanDerWaalsContact OD1-CB 3.29Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.32Å; N40-Q42 PolarHBondContact OD1-N 3.28Å; N40-Q42 PolarHBondContact OD1-O 2.82Å; N40-K85 WeakPolarHBondContact O-CD 3.42Å; N40-K85 PolarHBondContact OD1-NZ 3.04Å | ||
| 41 | T | 92.4 | Very high | 91.1 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 54% | 0.54 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -79.6 | -2.8 | -178.7 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | E43 L82 | T41-E43 PolarHBondContact O-N 2.88Å; T41-L82 HydrophobicContact CG2-CB 4.34Å; T41-L82 HydrophobicContact CG2-CD1 4.37Å |
| 42 | Q | 91.4 | Very high | 91.2 | Very high | 126 Ų | 126 | 54.3 Ų | 54.3 | 59% | 0.589 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -75.5 | 125.2 | 179.3 | -59.6 | -177 | -15.2 | 0 | 0 | 110.3 | N40 A44 K85 | N40-Q42 VanDerWaalsContact C-N 3.27Å; N40-Q42 PolarHBondContact O-N 3.47Å; N40-Q42 VanDerWaalsContact OD1-CB 3.29Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.32Å; N40-Q42 PolarHBondContact OD1-N 3.28Å; N40-Q42 PolarHBondContact OD1-O 2.82Å; Q42-A44 PolarHBondContact O-N 2.83Å; Q42-K85 PolarHBondContact O-NZ 2.85Å |
| 43 | E | 90.4 | Very high | 91.4 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -74.2 | 63.2 | 177.2 | -157.3 | -175.2 | 170.1 | 0 | 0 | 111.5 | T41 I81 Y126 T208 R212 | T41-E43 PolarHBondContact O-N 2.88Å; E43-I81 HydrophobicContact CB-CD1 3.98Å; E43-I81 HydrophobicContact CG-CD1 4.02Å; E43-Y126 HydrophobicContact CG-CE2 4.09Å; E43-Y126 WeakPolarHBondContact CG-OH 3.46Å; E43-Y126 WeakPolarHBondContact OE1-CE2 3.44Å; E43-Y126 PolarHBondContact OE1-OH 3.17Å; E43-T208 HydrophobicContact CB-CG2 4.11Å; E43-T208 HydrophobicContact CG-CG2 3.87Å; E43-R212 IonicContact OE1-CZ 2.76Å; E43-R212 IonicContact OE1-NH1 2.62Å; E43-R212 PolarHBondContact OE1-NH1 3.26Å; E43-R212 IonicContact OE1-NH2 3.8Å; E43-R212 PolarHBondContact OE1-NH2 3.24Å |
| 44 | A | 90.9 | Very high | 91.8 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -136.2 | 154.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q42 K85 C211 | Q42-A44 PolarHBondContact O-N 2.83Å; A44-K85 PolarHBondContact O-NZ 2.92Å; A44-C211 PolarHBondContact O-SG 2.95Å |
| 45 | P | 89.8 | Confident | 91.9 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 21% | 0.208 | 27% | 0.266 | C | S | . | . | trans | -54.6 | 149.8 | 177.4 | 24.4 | -34.6 | 0 | 0 | 0 | 111 | K47 S207 Q210 A214 | P45-K47 PolarHBondContact O-N 3.43Å; P45-S207 WeakPolarHBondContact CD-O 3.42Å; P45-Q210 HydrophobicContact CB-CB 4.27Å; P45-Q210 HydrophobicContact CG-CB 4.03Å; P45-A214 HydrophobicContact CB-CB 4.49Å | ||
| 46 | V | 92.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | trans | -61 | 133.6 | 173.9 | 174 | 0 | 0 | 0 | 0 | 107.8 | A38 E48 A51 K85 H88 V89 | A38-V46 HydrophobicContact CB-CG1 4.03Å; V46-E48 PolarHBondContact O-N 2.91Å; V46-A51 HydrophobicContact CG1-CB 4.05Å; V46-K85 HydrophobicContact CG2-CB 4.22Å; V46-K85 HydrophobicContact CG2-CG 4.15Å; V46-H88 VanDerWaalsContact CG2-CD2 3.49Å; V46-H88 WeakPolarHBondContact CG2-CD2 3.46Å; V46-V89 HydrophobicContact CG1-CG2 3.93Å; V46-V89 HydrophobicContact CG2-CG2 4.14Å | ||
| 47 | K | 89.9 | Confident | 91.7 | Very high | 128 Ų | 128 | 55.7 Ų | 55.7 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | trans | -73.1 | 114.9 | 178.3 | -66.8 | -175.5 | 177.4 | -172.2 | 0 | 109 | P45 K49 H50 A51 | P45-K47 PolarHBondContact O-N 3.43Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 2.91Å; K47-H50 PolarHBondContact O-N 3.39Å; K47-A51 PolarHBondContact O-N 3.43Å; K47-A51 VanDerWaalsContact O-N 3.16Å | ||
| 48 | E | 88.1 | Confident | 91.8 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54.1 | -42.2 | -175.7 | -70.7 | -59.2 | 142.8 | 0 | 0 | 112.8 | V46 H50 A51 R52 K92 | V46-E48 PolarHBondContact O-N 2.91Å; E48-H50 PolarHBondContact O-N 3.36Å; E48-H50 VanDerWaalsContact O-N 3.14Å; E48-A51 PolarHBondContact O-N 3.13Å; E48-A51 VanDerWaalsContact O-N 3.09Å; E48-R52 WeakPolarHBondContact O-CB 3.4Å; E48-R52 PolarHBondContact O-N 3.44Å; E48-K92 IonicContact OE1-NZ 2.69Å; E48-K92 PolarHBondContact OE1-NZ 2.89Å; E48-K92 IonicContact OE2-NZ 3.13Å; E48-K92 PolarHBondContact OE2-NZ 3.24Å |
| 49 | K | 87.3 | Confident | 91.6 | Very high | 113 Ų | 113 | 54.6 Ų | 54.6 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -50.6 | -41.3 | 173.7 | -179.1 | 169.6 | -173.3 | 156.5 | 0 | 113.8 | K47 R53 | K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 2.91Å; K49-R53 VanDerWaalsContact O-CG 3.29Å; K49-R53 WeakPolarHBondContact O-CG 3.25Å; K49-R53 PolarHBondContact O-N 3.24Å |
| 50 | H | 92.1 | Very high | 91.1 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -79.8 | -36.9 | 180 | -65.9 | -50.5 | 0 | 0 | 0 | 112 | K37 A38 K47 E48 R53 I54 | K37-H50 VanDerWaalsContact CB-CD2 3.43Å; K37-H50 WeakPolarHBondContact CB-CD2 3.5Å; K37-H50 VanDerWaalsContact CD-CE1 3.42Å; K37-H50 WeakPolarHBondContact CD-CE1 3.44Å; K37-H50 WeakPolarHBondContact CD-NE2 3.48Å; A38-H50 HydrophobicContact CB-CB 4.03Å; K47-H50 PolarHBondContact O-N 3.39Å; E48-H50 PolarHBondContact O-N 3.36Å; E48-H50 VanDerWaalsContact O-N 3.14Å; H50-R53 PolarHBondContact O-N 3.12Å; H50-I54 WeakPolarHBondContact O-CD1 3.43Å; H50-I54 VanDerWaalsContact O-CG1 3.22Å; H50-I54 WeakPolarHBondContact O-CG1 3.43Å; H50-I54 PolarHBondContact O-N 3.2Å |
| 51 | A | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V46 K47 E48 R53 I54 I55 K92 | V46-A51 HydrophobicContact CG1-CB 4.05Å; K47-A51 PolarHBondContact O-N 3.43Å; K47-A51 VanDerWaalsContact O-N 3.16Å; E48-A51 PolarHBondContact O-N 3.13Å; E48-A51 VanDerWaalsContact O-N 3.09Å; A51-R53 PolarHBondContact O-N 3.02Å; A51-I54 WeakPolarHBondContact O-CB 3.49Å; A51-I54 PolarHBondContact O-N 3.43Å; A51-I55 WeakPolarHBondContact O-CG1 3.26Å; A51-I55 PolarHBondContact O-N 3.5Å; A51-K92 HydrophobicContact CB-CD 4.35Å |
| 52 | R | 91.8 | Very high | 90.7 | Very high | 139 Ų | 139 | 63 Ų | 63 | 53% | 0.525 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 175.5 | -173.9 | 173.7 | -179.6 | 176.7 | -2.8 | 111.9 | E48 I54 I55 L56 | E48-R52 WeakPolarHBondContact O-CB 3.4Å; E48-R52 PolarHBondContact O-N 3.44Å; R52-I54 VanDerWaalsContact C-N 3.31Å; R52-I54 PolarHBondContact O-N 3.47Å; R52-I55 PolarHBondContact O-N 3.46Å; R52-L56 HydrophobicContact CG-CD1 4.09Å; R52-L56 HydrophobicContact CG-CG 4.39Å; R52-L56 WeakPolarHBondContact O-CB 3.45Å; R52-L56 WeakPolarHBondContact O-CG 3.47Å; R52-L56 PolarHBondContact O-N 3.39Å |
| 53 | R | 91.3 | Very high | 90.5 | Very high | 95 Ų | 95 | 57.1 Ų | 57.1 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 175.3 | -76.8 | 176.2 | 179.8 | -150.5 | -5.4 | 113.3 | Q31 K49 H50 A51 G57 | Q31-R53 PolarHBondContact NE2-O 3.44Å; K49-R53 VanDerWaalsContact O-CG 3.29Å; K49-R53 WeakPolarHBondContact O-CG 3.25Å; K49-R53 PolarHBondContact O-N 3.24Å; H50-R53 PolarHBondContact O-N 3.12Å; A51-R53 PolarHBondContact O-N 3.02Å; R53-G57 PolarHBondContact O-N 3.08Å |
| 54 | I | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -47 | 175 | -64.8 | 162.1 | 0 | 0 | 0 | 110 | I35 A38 H50 A51 R52 G57 T58 F67 V89 V93 | I35-I54 HydrophobicContact CB-CD1 4.45Å; I35-I54 HydrophobicContact CG1-CD1 3.9Å; I35-I54 HydrophobicContact CG1-CG1 3.87Å; A38-I54 HydrophobicContact CB-CD1 3.75Å; H50-I54 WeakPolarHBondContact O-CD1 3.43Å; H50-I54 VanDerWaalsContact O-CG1 3.22Å; H50-I54 WeakPolarHBondContact O-CG1 3.43Å; H50-I54 PolarHBondContact O-N 3.2Å; A51-I54 WeakPolarHBondContact O-CB 3.49Å; A51-I54 PolarHBondContact O-N 3.43Å; R52-I54 VanDerWaalsContact C-N 3.31Å; R52-I54 PolarHBondContact O-N 3.47Å; I54-G57 WeakPolarHBondContact O-CA 3.42Å; I54-G57 PolarHBondContact O-N 3.04Å; I54-G57 VanDerWaalsContact O-N 3.14Å; I54-T58 WeakPolarHBondContact O-CG2 3.48Å; I54-T58 PolarHBondContact O-N 3.33Å; I54-T58 VanDerWaalsContact O-N 3.09Å; I54-F67 HydrophobicContact CG2-CD2 3.67Å; I54-F67 HydrophobicContact CG2-CE2 4.3Å; I54-F67 HydrophobicContact CG2-CG 4.48Å; I54-V89 HydrophobicContact CD1-CG1 3.94Å; I54-V93 HydrophobicContact CG2-CG2 3.66Å |
| 55 | I | 94.4 | Very high | 90.3 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 11% | 0.108 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.3 | -50.8 | 177.5 | -67.6 | 160.5 | 0 | 0 | 0 | 110.9 | A51 R52 G57 T58 H59 K92 V93 D96 | A51-I55 WeakPolarHBondContact O-CG1 3.26Å; A51-I55 PolarHBondContact O-N 3.5Å; R52-I55 PolarHBondContact O-N 3.46Å; I55-G57 PolarHBondContact O-N 3.22Å; I55-T58 WeakPolarHBondContact O-CB 3.4Å; I55-T58 PolarHBondContact O-N 3.22Å; I55-T58 PolarHBondContact O-OG1 3.37Å; I55-H59 PolarHBondContact O-CD2 3.34Å; I55-H59 PolarHBondContact O-N 3.42Å; I55-K92 HydrophobicContact CD1-CB 4.23Å; I55-V93 HydrophobicContact CG1-CG2 4.34Å; I55-D96 HydrophobicContact CD1-CB 4.16Å; I55-D96 HydrophobicContact CG2-CB 4.01Å; I55-D96 VanDerWaalsContact CG2-O 3.25Å; I55-D96 WeakPolarHBondContact CG2-O 3.33Å |
| 56 | L | 90.8 | Very high | 90.2 | Very high | 87 Ų | 87 | 57.6 Ų | 57.6 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 176 | -69.2 | 174 | 0 | 0 | 0 | 111.9 | R52 T58 H59 H60 | R52-L56 HydrophobicContact CG-CD1 4.09Å; R52-L56 HydrophobicContact CG-CG 4.39Å; R52-L56 WeakPolarHBondContact O-CB 3.45Å; R52-L56 WeakPolarHBondContact O-CG 3.47Å; R52-L56 PolarHBondContact O-N 3.39Å; L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 3.5Å; L56-H59 PolarHBondContact O-N 3.37Å; L56-H60 PolarHBondContact O-N 2.79Å |
| 57 | G | 90.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.7 | -43.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q31 R53 I54 I55 H59 H60 E61 | Q31-G57 VanDerWaalsContact NE2-CA 3.27Å; R53-G57 PolarHBondContact O-N 3.08Å; I54-G57 WeakPolarHBondContact O-CA 3.42Å; I54-G57 PolarHBondContact O-N 3.04Å; I54-G57 VanDerWaalsContact O-N 3.14Å; I55-G57 PolarHBondContact O-N 3.22Å; G57-H59 VanDerWaalsContact C-N 3.31Å; G57-H59 PolarHBondContact O-N 3.47Å; G57-H60 WeakPolarHBondContact O-CB 3.42Å; G57-H60 PolarHBondContact O-N 3.44Å; G57-E61 WeakPolarHBondContact O-CG 3.26Å; G57-E61 PolarHBondContact O-N 2.94Å |
| 58 | T | 93.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -34.1 | 179 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | I54 I55 L56 K62 G63 A64 V93 G97 H98 V101 | I54-T58 WeakPolarHBondContact O-CG2 3.48Å; I54-T58 PolarHBondContact O-N 3.33Å; I54-T58 VanDerWaalsContact O-N 3.09Å; I55-T58 WeakPolarHBondContact O-CB 3.4Å; I55-T58 PolarHBondContact O-N 3.22Å; I55-T58 PolarHBondContact O-OG1 3.37Å; L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 3.5Å; T58-K62 WeakPolarHBondContact O-CA 3.48Å; T58-K62 PolarHBondContact O-N 2.99Å; T58-G63 CarbonylContact C-O 3.47Å; T58-G63 WeakPolarHBondContact CA-O 3.42Å; T58-G63 WeakPolarHBondContact CB-O 3.27Å; T58-G63 PolarHBondContact O-N 3.39Å; T58-G63 VanDerWaalsContact O-O 3.07Å; T58-A64 HydrophobicContact CG2-CB 4.22Å; T58-V93 HydrophobicContact CG2-CG1 4.04Å; T58-G97 VanDerWaalsContact OG1-CA 3.23Å; T58-G97 WeakPolarHBondContact OG1-CA 3.46Å; T58-H98 VanDerWaalsContact O-CB 3.3Å; T58-H98 WeakPolarHBondContact O-CB 3.31Å; T58-H98 PolarHBondContact OG1-N 2.89Å; T58-H98 VanDerWaalsContact OG1-N 3.08Å; T58-V101 HydrophobicContact CG2-CG2 4.06Å |
| 59 | H | 90.3 | Very high | 90.4 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 38% | 0.384 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.5 | -38.5 | 175.2 | -73.2 | -77.9 | 0 | 0 | 0 | 111.8 | I55 L56 G57 K62 D96 H98 | I55-H59 PolarHBondContact O-CD2 3.34Å; I55-H59 PolarHBondContact O-N 3.42Å; L56-H59 PolarHBondContact O-N 3.37Å; G57-H59 VanDerWaalsContact C-N 3.31Å; G57-H59 PolarHBondContact O-N 3.47Å; H59-K62 PolarHBondContact O-N 3.47Å; H59-D96 PolarHBondContact NE2-O 3.35Å; H59-H98 AromaticContact ND1-CD2 3.95Å |
| 60 | H | 85.8 | Confident | 90.5 | Very high | 103 Ų | 103 | 49.3 Ų | 49.3 | 48% | 0.477 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 175.2 | -178.7 | -99.7 | 0 | 0 | 0 | 112.2 | F27 L56 G57 L318 | F27-H60 AromaticContact CD2-CE1 3.94Å; F27-H60 AromaticContact CD2-ND1 3.57Å; F27-H60 HydrophobicContact CE2-CB 3.9Å; F27-H60 AromaticContact CE2-CG 3.73Å; F27-H60 AromaticContact CE2-ND1 3.27Å; F27-H60 VanDerWaalsContact CE2-ND1 3.27Å; F27-H60 WeakPolarHBondContact CE2-ND1 3.41Å; F27-H60 HydrophobicContact CZ-CB 4.16Å; F27-H60 AromaticContact CZ-ND1 3.51Å; L56-H60 PolarHBondContact O-N 2.79Å; G57-H60 WeakPolarHBondContact O-CB 3.42Å; G57-H60 PolarHBondContact O-N 3.44Å; H60-L318 VanDerWaalsContact CD2-CD2 3.5Å; H60-L318 WeakPolarHBondContact CD2-CD2 3.2Å |
| 61 | E | 86.6 | Confident | 90.3 | Very high | 51 Ų | 51 | 48.5 Ų | 48.5 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -90.1 | -2.9 | 180 | 75.2 | -175.6 | 164.5 | 0 | 0 | 114.4 | G57 G63 A64 F65 T66 | G57-E61 WeakPolarHBondContact O-CG 3.26Å; G57-E61 PolarHBondContact O-N 2.94Å; E61-G63 VanDerWaalsContact C-N 3.29Å; E61-G63 WeakPolarHBondContact CG-O 3.31Å; E61-G63 PolarHBondContact O-N 3.26Å; E61-G63 VanDerWaalsContact OE1-O 3.08Å; E61-A64 WeakPolarHBondContact OE1-CA 3.28Å; E61-F65 PolarHBondContact OE1-N 2.95Å; E61-F65 VanDerWaalsContact OE1-N 3.1Å; E61-T66 PolarHBondContact OE1-N 2.96Å; E61-T66 VanDerWaalsContact OE2-CB 3.22Å; E61-T66 WeakPolarHBondContact OE2-CB 3.43Å; E61-T66 PolarHBondContact OE2-N 3.41Å; E61-T66 PolarHBondContact OE2-OG1 3.3Å; E61-T66 VanDerWaalsContact OE2-OG1 3.06Å |
| 62 | K | 89.5 | Confident | 89.9 | Confident | 145 Ų | 145 | 52.3 Ų | 52.3 | 63% | 0.63 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 37.2 | -174.7 | -58.4 | -178.2 | 178.7 | 179.3 | 0 | 114.2 | T58 H59 H98 N100 | T58-K62 WeakPolarHBondContact O-CA 3.48Å; T58-K62 PolarHBondContact O-N 2.99Å; H59-K62 PolarHBondContact O-N 3.47Å; K62-H98 VanDerWaalsContact C-ND1 3.34Å; K62-H98 PolarHBondContact O-ND1 3.47Å; K62-N100 WeakPolarHBondContact O-CB 3.4Å; K62-N100 PolarHBondContact O-ND2 2.9Å |
| 63 | G | 88.2 | Confident | 89.6 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 176.3 | -172.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T58 E61 D104 | T58-G63 CarbonylContact C-O 3.47Å; T58-G63 WeakPolarHBondContact CA-O 3.42Å; T58-G63 WeakPolarHBondContact CB-O 3.27Å; T58-G63 PolarHBondContact O-N 3.39Å; T58-G63 VanDerWaalsContact O-O 3.07Å; E61-G63 VanDerWaalsContact C-N 3.29Å; E61-G63 WeakPolarHBondContact CG-O 3.31Å; E61-G63 PolarHBondContact O-N 3.26Å; E61-G63 VanDerWaalsContact OE1-O 3.08Å; G63-D104 VanDerWaalsContact CA-OD2 3.26Å; G63-D104 WeakPolarHBondContact CA-OD2 3.34Å |
| 64 | A | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -113.7 | 31.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | T58 E61 F67 W68 V101 D104 | T58-A64 HydrophobicContact CG2-CB 4.22Å; E61-A64 WeakPolarHBondContact OE1-CA 3.28Å; A64-F67 HydrophobicContact CB-CB 4.19Å; A64-F67 PolarHBondContact O-N 3.47Å; A64-W68 VanDerWaalsContact O-CD1 3.22Å; A64-W68 PolarHBondContact O-N 2.93Å; A64-V101 HydrophobicContact CB-CB 4.3Å; A64-V101 HydrophobicContact CB-CG1 4.02Å; A64-V101 HydrophobicContact CB-CG2 3.81Å; A64-D104 HydrophobicContact CB-CB 4.43Å; A64-D104 PolarHBondContact N-OD2 2.85Å |
| 65 | F | 86.6 | Confident | 89.2 | Confident | 128 Ų | 128 | 49.7 Ų | 49.7 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.8 | -53.7 | -174.8 | 179.1 | -93.5 | 0 | 0 | 0 | 111.6 | E61 F67 W68 S69 | E61-F65 PolarHBondContact OE1-N 2.95Å; E61-F65 VanDerWaalsContact OE1-N 3.1Å; F65-F67 VanDerWaalsContact C-N 3.31Å; F65-F67 PolarHBondContact O-N 3.41Å; F65-W68 PolarHBondContact O-N 3.17Å; F65-S69 PolarHBondContact O-N 2.93Å |
| 66 | T | 88.1 | Confident | 89 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.7 | -31.9 | -179.8 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | D28 Q31 E61 S69 Y70 | D28-T66 PolarHBondContact OD1-OG1 2.82Å; Q31-T66 HydrophobicContact CB-CG2 3.62Å; Q31-T66 HydrophobicContact CG-CG2 4.08Å; E61-T66 PolarHBondContact OE1-N 2.96Å; E61-T66 VanDerWaalsContact OE2-CB 3.22Å; E61-T66 WeakPolarHBondContact OE2-CB 3.43Å; E61-T66 PolarHBondContact OE2-N 3.41Å; E61-T66 PolarHBondContact OE2-OG1 3.3Å; E61-T66 VanDerWaalsContact OE2-OG1 3.06Å; T66-S69 WeakPolarHBondContact CA-OG 3.49Å; T66-S69 PolarHBondContact O-OG 3.47Å; T66-Y70 HydrophobicContact CG2-CD2 3.9Å; T66-Y70 HydrophobicContact CG2-CE2 3.66Å; T66-Y70 WeakPolarHBondContact O-CD2 3.44Å; T66-Y70 PolarHBondContact O-N 3.09Å |
| 67 | F | 94 | Very high | 89 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.5 | -50.8 | 171.7 | 173.4 | -97.6 | 0 | 0 | 0 | 111.9 | I35 I39 I54 A64 F65 Y70 A71 F86 V89 L90 | I35-F67 HydrophobicContact CD1-CD2 4.27Å; I35-F67 HydrophobicContact CG1-CD2 4.33Å; I39-F67 HydrophobicContact CD1-CE2 4.2Å; I54-F67 HydrophobicContact CG2-CD2 3.67Å; I54-F67 HydrophobicContact CG2-CE2 4.3Å; I54-F67 HydrophobicContact CG2-CG 4.48Å; A64-F67 HydrophobicContact CB-CB 4.19Å; A64-F67 PolarHBondContact O-N 3.47Å; F65-F67 VanDerWaalsContact C-N 3.31Å; F65-F67 PolarHBondContact O-N 3.41Å; F67-Y70 PolarHBondContact O-N 3.47Å; F67-A71 HydrophobicContact CD1-CB 4.46Å; F67-A71 HydrophobicContact CE1-CB 4.11Å; F67-A71 HydrophobicContact CZ-CB 4.19Å; F67-A71 WeakPolarHBondContact O-CB 3.39Å; F67-A71 PolarHBondContact O-N 3.48Å; F67-F86 HydrophobicContact CE1-CE2 4.38Å; F67-F86 HydrophobicContact CZ-CD2 4.43Å; F67-F86 HydrophobicContact CZ-CE2 4.13Å; F67-V89 HydrophobicContact CE2-CG1 3.81Å; F67-V89 HydrophobicContact CZ-CG1 4.44Å; F67-L90 HydrophobicContact CE1-CD1 3.98Å; F67-L90 HydrophobicContact CZ-CB 4.4Å; F67-L90 HydrophobicContact CZ-CD1 4.48Å |
| 68 | W | 93 | Very high | 89 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.8 | -34.5 | -177 | -78.1 | 113.2 | 0 | 0 | 0 | 113.3 | A64 F65 Y70 A71 I72 F86 L90 C105 Y108 I112 | A64-W68 VanDerWaalsContact O-CD1 3.22Å; A64-W68 PolarHBondContact O-N 2.93Å; F65-W68 PolarHBondContact O-N 3.17Å; W68-Y70 PolarHBondContact O-N 3.41Å; W68-A71 HydrophobicContact CE3-CB 4.26Å; W68-A71 PolarHBondContact O-N 2.97Å; W68-I72 HydrophobicContact CE3-CG1 4.26Å; W68-I72 WeakPolarHBondContact O-CD1 3.32Å; W68-I72 WeakPolarHBondContact O-CG1 3.4Å; W68-I72 PolarHBondContact O-N 2.86Å; W68-F86 HydrophobicContact CH2-CE2 4.4Å; W68-F86 AromaticContact CH2-CZ 3.89Å; W68-F86 HydrophobicContact CH2-CZ 3.89Å; W68-F86 HydrophobicContact CZ3-CE2 4.18Å; W68-F86 AromaticContact CZ3-CZ 3.89Å; W68-F86 HydrophobicContact CZ3-CZ 3.89Å; W68-L90 HydrophobicContact CH2-CD1 4.28Å; W68-L90 HydrophobicContact CH2-CD2 3.83Å; W68-L90 HydrophobicContact CZ2-CD1 3.71Å; W68-L90 HydrophobicContact CZ2-CD2 4.03Å; W68-C105 HydrophobicContact CZ2-CB 4.12Å; W68-C105 PolarHBondContact NE1-SG 3.31Å; W68-Y108 HydrophobicContact CB-CD2 4.01Å; W68-Y108 HydrophobicContact CB-CE2 3.44Å; W68-Y108 VanDerWaalsContact CB-CE2 3.44Å; W68-Y108 AromaticContact CD1-CD2 3.74Å; W68-Y108 AromaticContact CD1-CE2 3.74Å; W68-Y108 AromaticContact CD2-CD2 3.28Å; W68-Y108 HydrophobicContact CD2-CD2 3.28Å; W68-Y108 AromaticContact CD2-CE2 3.74Å; W68-Y108 HydrophobicContact CD2-CE2 3.74Å; W68-Y108 AromaticContact CD2-CG 3.72Å; W68-Y108 HydrophobicContact CD2-CG 3.72Å; W68-Y108 AromaticContact CE2-CD2 3.59Å; W68-Y108 HydrophobicContact CE3-CD1 4.15Å; W68-Y108 AromaticContact CE3-CD2 3.69Å; W68-Y108 HydrophobicContact CE3-CD2 3.69Å; W68-Y108 HydrophobicContact CE3-CE2 4.26Å; W68-Y108 AromaticContact CE3-CG 3.6Å; W68-Y108 HydrophobicContact CE3-CG 3.6Å; W68-Y108 AromaticContact CG-CD2 3.42Å; W68-Y108 HydrophobicContact CG-CD2 3.42Å; W68-Y108 VanDerWaalsContact CG-CD2 3.42Å; W68-Y108 AromaticContact CG-CE2 3.34Å; W68-Y108 HydrophobicContact CG-CE2 3.34Å; W68-Y108 HydrophobicContact CG-CG 4.25Å; W68-Y108 HydrophobicContact CH2-CG 4.31Å; W68-Y108 HydrophobicContact CZ2-CD2 4.24Å; W68-Y108 HydrophobicContact CZ2-CG 4.41Å; W68-Y108 HydrophobicContact CZ3-CD2 4.32Å; W68-Y108 AromaticContact CZ3-CG 3.92Å; W68-Y108 HydrophobicContact CZ3-CG 3.92Å; W68-Y108 AromaticContact NE1-CD2 3.83Å; W68-I112 HydrophobicContact CH2-CD1 3.86Å; W68-I112 HydrophobicContact CH2-CG1 3.93Å; W68-I112 HydrophobicContact CZ2-CD1 4.28Å |
| 69 | S | 87.6 | Confident | 89 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.2 | -36.3 | 176.9 | 71.7 | 0 | 0 | 0 | 0 | 112.3 | F65 T66 | F65-S69 PolarHBondContact O-N 2.93Å; T66-S69 WeakPolarHBondContact CA-OG 3.49Å; T66-S69 PolarHBondContact O-OG 3.47Å |
| 70 | Y | 87.9 | Confident | 89.1 | Confident | 89 Ų | 89 | 50.3 Ų | 50.3 | 35% | 0.349 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -88 | -37.8 | 174.6 | -68.6 | -65.4 | 0 | 0 | 0 | 113.3 | A32 I35 T66 F67 W68 I72 G73 L74 | A32-Y70 HydrophobicContact CB-CD1 4.12Å; A32-Y70 HydrophobicContact CB-CD2 4.1Å; A32-Y70 HydrophobicContact CB-CE1 3.75Å; A32-Y70 HydrophobicContact CB-CE2 3.71Å; A32-Y70 HydrophobicContact CB-CG 4.31Å; I35-Y70 HydrophobicContact CD1-CD2 3.98Å; I35-Y70 HydrophobicContact CD1-CG 4.35Å; T66-Y70 HydrophobicContact CG2-CD2 3.9Å; T66-Y70 HydrophobicContact CG2-CE2 3.66Å; T66-Y70 WeakPolarHBondContact O-CD2 3.44Å; T66-Y70 PolarHBondContact O-N 3.09Å; F67-Y70 PolarHBondContact O-N 3.47Å; W68-Y70 PolarHBondContact O-N 3.41Å; Y70-I72 VanDerWaalsContact C-N 3.31Å; Y70-I72 PolarHBondContact O-N 2.89Å; Y70-G73 PolarHBondContact O-N 3.05Å; Y70-G73 VanDerWaalsContact O-N 3.13Å; Y70-L74 PolarHBondContact O-N 3.27Å |
| 71 | A | 88 | Confident | 89.6 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -34.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F67 W68 G73 L74 F86 | F67-A71 HydrophobicContact CD1-CB 4.46Å; F67-A71 HydrophobicContact CE1-CB 4.11Å; F67-A71 HydrophobicContact CZ-CB 4.19Å; F67-A71 WeakPolarHBondContact O-CB 3.39Å; F67-A71 PolarHBondContact O-N 3.48Å; W68-A71 HydrophobicContact CE3-CB 4.26Å; W68-A71 PolarHBondContact O-N 2.97Å; A71-G73 VanDerWaalsContact C-N 3.3Å; A71-G73 PolarHBondContact O-N 3.09Å; A71-L74 WeakPolarHBondContact O-CB 3.44Å; A71-L74 PolarHBondContact O-N 3.3Å; A71-F86 HydrophobicContact CB-CD2 4.4Å; A71-F86 HydrophobicContact CB-CE2 3.95Å |
| 72 | I | 85.6 | Confident | 90 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 42% | 0.415 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -31 | 177.4 | -59.6 | 156.3 | 0 | 0 | 0 | 111.4 | W68 Y70 L74 Y108 | W68-I72 HydrophobicContact CE3-CG1 4.26Å; W68-I72 WeakPolarHBondContact O-CD1 3.32Å; W68-I72 WeakPolarHBondContact O-CG1 3.4Å; W68-I72 PolarHBondContact O-N 2.86Å; Y70-I72 VanDerWaalsContact C-N 3.31Å; Y70-I72 PolarHBondContact O-N 2.89Å; I72-L74 VanDerWaalsContact C-N 3.26Å; I72-L74 PolarHBondContact O-N 3.43Å; I72-Y108 HydrophobicContact CD1-CD1 3.78Å; I72-Y108 HydrophobicContact CD1-CE1 3.13Å; I72-Y108 HydrophobicContact CG1-CD1 4.18Å; I72-Y108 HydrophobicContact CG1-CE1 4.03Å |
| 73 | G | 84.4 | Confident | 90.3 | Very high | 67 Ų | 67 | 37.7 Ų | 37.7 | 69% | 0.691 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y70 A71 | Y70-G73 PolarHBondContact O-N 3.05Å; Y70-G73 VanDerWaalsContact O-N 3.13Å; A71-G73 VanDerWaalsContact C-N 3.3Å; A71-G73 PolarHBondContact O-N 3.09Å |
| 74 | L | 88.6 | Confident | 90.7 | Very high | 34 Ų | 34 | 37.5 Ų | 37.5 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -72.1 | 138.2 | 176.3 | -65 | 175.8 | 0 | 0 | 0 | 110.1 | I35 I39 Y70 A71 I72 L76 | I35-L74 HydrophobicContact CG2-CD1 4.41Å; I39-L74 HydrophobicContact CB-CD1 4.02Å; I39-L74 HydrophobicContact CD1-CD1 3.92Å; I39-L74 HydrophobicContact CG2-CD1 3.69Å; Y70-L74 PolarHBondContact O-N 3.27Å; A71-L74 WeakPolarHBondContact O-CB 3.44Å; A71-L74 PolarHBondContact O-N 3.3Å; I72-L74 VanDerWaalsContact C-N 3.26Å; I72-L74 PolarHBondContact O-N 3.43Å; L74-L76 HydrophobicContact CB-CD2 3.86Å; L74-L76 HydrophobicContact CB-CG 3.99Å; L74-L76 HydrophobicContact CD1-CD2 4.33Å; L74-L76 PolarHBondContact O-N 3.26Å |
| 75 | P | 89.6 | Confident | 90.9 | Very high | 77 Ų | 77 | 37.8 Ų | 37.8 | 50% | 0.5 | 23% | 0.226 | S | C | . | . | trans | -77.4 | 59.2 | 178.1 | 34.1 | -37.1 | 0 | 0 | 0 | 110.8 | P77 S78 L82 | P75-P77 VanDerWaalsContact C-CD 3.43Å; P75-P77 VanDerWaalsContact C-N 3.32Å; P75-S78 VanDerWaalsContact O-CB 3.31Å; P75-S78 WeakPolarHBondContact O-CB 3.39Å; P75-S78 PolarHBondContact O-N 3.4Å; P75-S78 PolarHBondContact O-OG 3.46Å; P75-L82 HydrophobicContact CG-CD2 4.07Å | ||
| 76 | L | 91.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -54.3 | -39.3 | -177.7 | -58.4 | 178.1 | 0 | 0 | 0 | 113 | L74 S78 S79 L82 S83 F86 I115 W119 | L74-L76 HydrophobicContact CB-CD2 3.86Å; L74-L76 HydrophobicContact CB-CG 3.99Å; L74-L76 HydrophobicContact CD1-CD2 4.33Å; L74-L76 PolarHBondContact O-N 3.26Å; L76-S78 PolarHBondContact O-N 2.74Å; L76-S78 VanDerWaalsContact O-N 3.15Å; L76-S79 PolarHBondContact O-N 3.16Å; L76-L82 HydrophobicContact CD2-CD2 4.13Å; L76-L82 HydrophobicContact CD2-CG 4.04Å; L76-S83 PolarHBondContact O-OG 3.1Å; L76-F86 HydrophobicContact CD1-CB 4.48Å; L76-F86 HydrophobicContact CD1-CD1 3.93Å; L76-F86 HydrophobicContact CD1-CD2 4.17Å; L76-F86 HydrophobicContact CD1-CE1 4.18Å; L76-F86 HydrophobicContact CD1-CE2 4.42Å; L76-F86 HydrophobicContact CD1-CG 3.91Å; L76-F86 HydrophobicContact CD1-CZ 4.42Å; L76-F86 HydrophobicContact CD2-CB 3.78Å; L76-F86 HydrophobicContact CD2-CG 4.1Å; L76-I115 HydrophobicContact CB-CD1 4.44Å; L76-I115 HydrophobicContact CD1-CD1 3.44Å; L76-I115 VanDerWaalsContact CD1-CD1 3.44Å; L76-I115 HydrophobicContact CD1-CG1 4.36Å; L76-W119 WeakPolarHBondContact O-CZ2 3.44Å |
| 77 | P | 90.1 | Very high | 91.9 | Very high | 84 Ų | 84 | 31.5 Ų | 31.5 | 55% | 0.545 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -60.7 | -21.2 | 173.6 | -27.9 | 38.4 | 0 | 0 | 0 | 115.2 | P75 L118 W119 | P75-P77 VanDerWaalsContact C-CD 3.43Å; P75-P77 VanDerWaalsContact C-N 3.32Å; P77-L118 HydrophobicContact CB-CD2 3.64Å; P77-L118 HydrophobicContact CG-CD2 3.96Å; P77-W119 WeakPolarHBondContact O-CZ2 3.25Å |
| 78 | S | 89.6 | Confident | 92.1 | Very high | 83 Ų | 83 | 31.6 Ų | 31.6 | 58% | 0.58 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -79.3 | -19.8 | -176.2 | 73.2 | 0 | 0 | 0 | 0 | 113.8 | P75 L76 | P75-S78 VanDerWaalsContact O-CB 3.31Å; P75-S78 WeakPolarHBondContact O-CB 3.39Å; P75-S78 PolarHBondContact O-N 3.4Å; P75-S78 PolarHBondContact O-OG 3.46Å; L76-S78 PolarHBondContact O-N 2.74Å; L76-S78 VanDerWaalsContact O-N 3.15Å |
| 79 | S | 93.4 | Very high | 92.3 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | trans | -153.2 | 124.1 | -175.1 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | L76 I81 L82 S83 | L76-S79 PolarHBondContact O-N 3.16Å; S79-I81 VanDerWaalsContact C-N 3.33Å; S79-I81 PolarHBondContact O-N 2.99Å; S79-L82 WeakPolarHBondContact O-CB 3.31Å; S79-L82 PolarHBondContact O-N 3.3Å; S79-L82 PolarHBondContact OG-N 3.04Å; S79-S83 PolarHBondContact O-N 3.45Å; S79-S83 PolarHBondContact O-OG 2.74Å | ||
| 80 | S | 93.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 28.6 Ų | 28.6 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.3 | -30.6 | 176.9 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | S83 W84 W119 D124 Y126 | S80-S83 PolarHBondContact O-N 3.49Å; S80-W84 VanDerWaalsContact O-CB 3.29Å; S80-W84 WeakPolarHBondContact O-CB 3.26Å; S80-W84 PolarHBondContact O-N 3.19Å; S80-W119 VanDerWaalsContact N-CH2 3.33Å; S80-W119 VanDerWaalsContact N-CZ2 3.29Å; S80-D124 WeakPolarHBondContact CB-OD2 3.3Å; S80-D124 PolarHBondContact OG-OD2 3.16Å; S80-Y126 WeakPolarHBondContact OG-CB 3.37Å |
| 81 | I | 94.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 24.4 Ų | 24.4 | 14% | 0.138 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | 173 | -64.2 | 165.4 | 0 | 0 | 0 | 110.5 | E43 S79 S83 W84 K85 Y126 | E43-I81 HydrophobicContact CB-CD1 3.98Å; E43-I81 HydrophobicContact CG-CD1 4.02Å; S79-I81 VanDerWaalsContact C-N 3.33Å; S79-I81 PolarHBondContact O-N 2.99Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-W84 WeakPolarHBondContact O-CB 3.48Å; I81-W84 PolarHBondContact O-N 3.49Å; I81-K85 HydrophobicContact CG2-CD 4.15Å; I81-K85 WeakPolarHBondContact O-CG 3.32Å; I81-K85 PolarHBondContact O-N 3.39Å; I81-Y126 HydrophobicContact CD1-CD2 4.39Å; I81-Y126 HydrophobicContact CD1-CE2 4.22Å; I81-Y126 HydrophobicContact CG1-CD2 3.61Å; I81-Y126 HydrophobicContact CG1-CE2 3.67Å; I81-Y126 HydrophobicContact CG1-CG 4.09Å |
| 82 | L | 95 | Very high | 93.6 | Very high | 7 Ų | 7 | 25 Ų | 25 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.3 | -170.7 | 74.6 | 0 | 0 | 0 | 110.5 | I39 T41 P75 L76 S79 W84 K85 F86 | I39-L82 HydrophobicContact CG2-CD1 3.77Å; I39-L82 HydrophobicContact CG2-CG 4.12Å; I39-L82 WeakPolarHBondContact O-CD1 3.32Å; T41-L82 HydrophobicContact CG2-CB 4.34Å; T41-L82 HydrophobicContact CG2-CD1 4.37Å; P75-L82 HydrophobicContact CG-CD2 4.07Å; L76-L82 HydrophobicContact CD2-CD2 4.13Å; L76-L82 HydrophobicContact CD2-CG 4.04Å; S79-L82 WeakPolarHBondContact O-CB 3.31Å; S79-L82 PolarHBondContact O-N 3.3Å; S79-L82 PolarHBondContact OG-N 3.04Å; L82-W84 PolarHBondContact O-N 3.06Å; L82-K85 PolarHBondContact O-N 3.08Å; L82-F86 WeakPolarHBondContact O-CB 3.44Å; L82-F86 PolarHBondContact O-N 3.19Å |
| 83 | S | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 175.9 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | L76 S79 S80 I81 F86 C87 W119 | L76-S83 PolarHBondContact O-OG 3.1Å; S79-S83 PolarHBondContact O-N 3.45Å; S79-S83 PolarHBondContact O-OG 2.74Å; S80-S83 PolarHBondContact O-N 3.49Å; I81-S83 VanDerWaalsContact C-N 3.33Å; S83-F86 WeakPolarHBondContact O-CB 3.38Å; S83-F86 PolarHBondContact O-N 3.38Å; S83-C87 PolarHBondContact O-N 3.02Å; S83-C87 PolarHBondContact O-SG 2.92Å; S83-W119 PolarHBondContact OG-NE1 2.88Å |
| 84 | W | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 174.8 | 176.3 | -107.2 | 0 | 0 | 0 | 111.9 | S80 I81 L82 F86 C87 H88 Y126 L129 V130 Y133 L189 V193 C211 P215 | S80-W84 VanDerWaalsContact O-CB 3.29Å; S80-W84 WeakPolarHBondContact O-CB 3.26Å; S80-W84 PolarHBondContact O-N 3.19Å; I81-W84 WeakPolarHBondContact O-CB 3.48Å; I81-W84 PolarHBondContact O-N 3.49Å; L82-W84 PolarHBondContact O-N 3.06Å; W84-F86 VanDerWaalsContact C-N 3.34Å; W84-C87 PolarHBondContact O-N 3.02Å; W84-H88 PolarHBondContact O-N 3.38Å; W84-Y126 HydrophobicContact CB-CD1 3.79Å; W84-Y126 HydrophobicContact CB-CE1 4.25Å; W84-Y126 AromaticContact CD1-CD1 3.9Å; W84-Y126 AromaticContact CD1-CE1 3.51Å; W84-Y126 HydrophobicContact CD2-CD1 4.08Å; W84-Y126 HydrophobicContact CD2-CE1 4.26Å; W84-Y126 AromaticContact CG-CD1 3.63Å; W84-Y126 HydrophobicContact CG-CD1 3.63Å; W84-Y126 AromaticContact CG-CE1 3.74Å; W84-Y126 HydrophobicContact CG-CE1 3.74Å; W84-Y126 AromaticContact NE1-CE1 3.86Å; W84-L129 HydrophobicContact CE3-CB 3.66Å; W84-L129 HydrophobicContact CH2-CB 4.08Å; W84-L129 HydrophobicContact CH2-CD1 4.33Å; W84-L129 HydrophobicContact CZ2-CD1 4.49Å; W84-L129 HydrophobicContact CZ3-CB 3.41Å; W84-L129 VanDerWaalsContact CZ3-CB 3.41Å; W84-L129 HydrophobicContact CZ3-CD1 4.38Å; W84-L129 HydrophobicContact CZ3-CG 4.44Å; W84-V130 HydrophobicContact CB-CG2 3.94Å; W84-V130 HydrophobicContact CE3-CG2 4.35Å; W84-Y133 HydrophobicContact CD2-CD1 4.49Å; W84-Y133 AromaticContact CE3-CD1 3.75Å; W84-Y133 HydrophobicContact CE3-CD1 3.75Å; W84-Y133 AromaticContact CH2-CD1 3.89Å; W84-Y133 HydrophobicContact CH2-CD1 3.89Å; W84-Y133 HydrophobicContact CH2-CE1 4.29Å; W84-Y133 AromaticContact CZ3-CD1 3.38Å; W84-Y133 HydrophobicContact CZ3-CD1 3.38Å; W84-Y133 HydrophobicContact CZ3-CE1 4.19Å; W84-Y133 HydrophobicContact CZ3-CG 4.11Å; W84-L189 HydrophobicContact CH2-CD1 3.93Å; W84-L189 HydrophobicContact CZ3-CD1 3.96Å; W84-V193 HydrophobicContact CH2-CG2 3.65Å; W84-V193 HydrophobicContact CZ2-CG2 4.04Å; W84-C211 PolarHBondContact NE1-O 3.47Å; W84-P215 HydrophobicContact CH2-CB 4.43Å; W84-P215 HydrophobicContact CH2-CG 4.31Å; W84-P215 HydrophobicContact CZ2-CB 4.05Å; W84-P215 HydrophobicContact CZ2-CG 3.51Å |
| 85 | K | 96.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 2% | 0.022 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.1 | -33.7 | 177.5 | -69.5 | 177.3 | 65.7 | 166 | 0 | 112 | A38 N40 Q42 A44 V46 I81 L82 H88 V89 | A38-K85 WeakPolarHBondContact O-CE 3.32Å; N40-K85 WeakPolarHBondContact O-CD 3.42Å; N40-K85 PolarHBondContact OD1-NZ 3.04Å; Q42-K85 PolarHBondContact O-NZ 2.85Å; A44-K85 PolarHBondContact O-NZ 2.92Å; V46-K85 HydrophobicContact CG2-CB 4.22Å; V46-K85 HydrophobicContact CG2-CG 4.15Å; I81-K85 HydrophobicContact CG2-CD 4.15Å; I81-K85 WeakPolarHBondContact O-CG 3.32Å; I81-K85 PolarHBondContact O-N 3.39Å; L82-K85 PolarHBondContact O-N 3.08Å; K85-H88 PolarHBondContact O-N 3.43Å; K85-V89 WeakPolarHBondContact O-CG2 3.36Å; K85-V89 PolarHBondContact O-N 3.43Å |
| 86 | F | 97.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.8 | -50.7 | 169.2 | 164.8 | -101.2 | 0 | 0 | 0 | 111.3 | I39 F67 W68 A71 L76 L82 S83 W84 H88 V89 L90 I115 | I39-F86 HydrophobicContact CD1-CB 4.41Å; I39-F86 HydrophobicContact CD1-CD2 4.18Å; I39-F86 HydrophobicContact CG2-CB 3.97Å; F67-F86 HydrophobicContact CE1-CE2 4.38Å; F67-F86 HydrophobicContact CZ-CD2 4.43Å; F67-F86 HydrophobicContact CZ-CE2 4.13Å; W68-F86 HydrophobicContact CH2-CE2 4.4Å; W68-F86 AromaticContact CH2-CZ 3.89Å; W68-F86 HydrophobicContact CH2-CZ 3.89Å; W68-F86 HydrophobicContact CZ3-CE2 4.18Å; W68-F86 AromaticContact CZ3-CZ 3.89Å; W68-F86 HydrophobicContact CZ3-CZ 3.89Å; A71-F86 HydrophobicContact CB-CD2 4.4Å; A71-F86 HydrophobicContact CB-CE2 3.95Å; L76-F86 HydrophobicContact CD1-CB 4.48Å; L76-F86 HydrophobicContact CD1-CD1 3.93Å; L76-F86 HydrophobicContact CD1-CD2 4.17Å; L76-F86 HydrophobicContact CD1-CE1 4.18Å; L76-F86 HydrophobicContact CD1-CE2 4.42Å; L76-F86 HydrophobicContact CD1-CG 3.91Å; L76-F86 HydrophobicContact CD1-CZ 4.42Å; L76-F86 HydrophobicContact CD2-CB 3.78Å; L76-F86 HydrophobicContact CD2-CG 4.1Å; L82-F86 WeakPolarHBondContact O-CB 3.44Å; L82-F86 PolarHBondContact O-N 3.19Å; S83-F86 WeakPolarHBondContact O-CB 3.38Å; S83-F86 PolarHBondContact O-N 3.38Å; W84-F86 VanDerWaalsContact C-N 3.34Å; F86-H88 VanDerWaalsContact C-N 3.27Å; F86-H88 PolarHBondContact O-N 3.37Å; F86-V89 PolarHBondContact O-N 3.28Å; F86-L90 HydrophobicContact CE1-CD2 4.11Å; F86-L90 HydrophobicContact CE2-CD2 4.43Å; F86-L90 HydrophobicContact CZ-CD2 3.76Å; F86-L90 VanDerWaalsContact O-CB 3.3Å; F86-L90 WeakPolarHBondContact O-CB 3.39Å; F86-L90 PolarHBondContact O-N 2.84Å; F86-I115 HydrophobicContact CE1-CD1 4.16Å |
| 87 | C | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 177.8 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | S83 W84 H91 Y133 L137 | S83-C87 PolarHBondContact O-N 3.02Å; S83-C87 PolarHBondContact O-SG 2.92Å; W84-C87 PolarHBondContact O-N 3.02Å; C87-H91 WeakPolarHBondContact O-CB 3.44Å; C87-H91 PolarHBondContact O-N 2.88Å; C87-Y133 HydrophobicContact CB-CD1 3.31Å; C87-Y133 HydrophobicContact CB-CD2 4.27Å; C87-Y133 HydrophobicContact CB-CE1 3.73Å; C87-Y133 HydrophobicContact CB-CG 3.64Å; C87-L137 HydrophobicContact CB-CD1 3.88Å |
| 88 | H | 97.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.2 | -49.5 | 177 | -178.1 | 22.8 | 0 | 0 | 0 | 113.2 | V46 W84 K85 F86 L90 H91 K92 Y133 P215 Q218 | V46-H88 VanDerWaalsContact CG2-CD2 3.49Å; V46-H88 WeakPolarHBondContact CG2-CD2 3.46Å; W84-H88 PolarHBondContact O-N 3.38Å; K85-H88 PolarHBondContact O-N 3.43Å; F86-H88 VanDerWaalsContact C-N 3.27Å; F86-H88 PolarHBondContact O-N 3.37Å; H88-L90 VanDerWaalsContact C-N 3.33Å; H88-H91 WeakPolarHBondContact O-CB 3.49Å; H88-H91 PolarHBondContact O-N 3.44Å; H88-K92 WeakPolarHBondContact O-CG 3.28Å; H88-K92 PolarHBondContact O-N 2.84Å; H88-K92 VanDerWaalsContact O-N 3.1Å; H88-Y133 HydrophobicContact CB-CE1 4.29Å; H88-P215 HydrophobicContact CB-CB 4.48Å; H88-P215 HydrophobicContact CB-CG 3.85Å; H88-Q218 PolarHBondContact CE1-OE1 2.91Å; H88-Q218 PolarHBondContact ND1-OE1 2.95Å |
| 89 | V | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 178.9 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | A38 I39 V46 I54 F67 K85 F86 H91 K92 V93 | A38-V89 HydrophobicContact CB-CG2 4.05Å; I39-V89 HydrophobicContact CD1-CB 4.18Å; I39-V89 HydrophobicContact CD1-CG1 4.27Å; I39-V89 HydrophobicContact CD1-CG2 4.44Å; I39-V89 HydrophobicContact CG1-CB 4.14Å; I39-V89 HydrophobicContact CG1-CG1 4.47Å; I39-V89 HydrophobicContact CG1-CG2 3.86Å; V46-V89 HydrophobicContact CG1-CG2 3.93Å; V46-V89 HydrophobicContact CG2-CG2 4.14Å; I54-V89 HydrophobicContact CD1-CG1 3.94Å; F67-V89 HydrophobicContact CE2-CG1 3.81Å; F67-V89 HydrophobicContact CZ-CG1 4.44Å; K85-V89 WeakPolarHBondContact O-CG2 3.36Å; K85-V89 PolarHBondContact O-N 3.43Å; F86-V89 PolarHBondContact O-N 3.28Å; V89-H91 VanDerWaalsContact C-N 3.31Å; V89-H91 PolarHBondContact O-N 3.06Å; V89-K92 PolarHBondContact O-N 3.38Å; V89-V93 HydrophobicContact CG1-CG2 4.25Å; V89-V93 WeakPolarHBondContact O-CB 3.47Å; V89-V93 WeakPolarHBondContact O-CG2 3.36Å; V89-V93 PolarHBondContact O-N 2.6Å |
| 90 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 175.5 | 179.1 | 56.2 | 0 | 0 | 0 | 111.8 | F67 W68 F86 H88 V93 L94 I112 L137 | F67-L90 HydrophobicContact CE1-CD1 3.98Å; F67-L90 HydrophobicContact CZ-CB 4.4Å; F67-L90 HydrophobicContact CZ-CD1 4.48Å; W68-L90 HydrophobicContact CH2-CD1 4.28Å; W68-L90 HydrophobicContact CH2-CD2 3.83Å; W68-L90 HydrophobicContact CZ2-CD1 3.71Å; W68-L90 HydrophobicContact CZ2-CD2 4.03Å; F86-L90 HydrophobicContact CE1-CD2 4.11Å; F86-L90 HydrophobicContact CE2-CD2 4.43Å; F86-L90 HydrophobicContact CZ-CD2 3.76Å; F86-L90 VanDerWaalsContact O-CB 3.3Å; F86-L90 WeakPolarHBondContact O-CB 3.39Å; F86-L90 PolarHBondContact O-N 2.84Å; H88-L90 VanDerWaalsContact C-N 3.33Å; L90-V93 PolarHBondContact O-N 2.89Å; L90-L94 HydrophobicContact CD1-CD1 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.14Å; L90-L94 HydrophobicContact CG-CD1 4.1Å; L90-L94 HydrophobicContact CG-CG 4.5Å; L90-L94 WeakPolarHBondContact O-CB 3.37Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.39Å; L90-I112 HydrophobicContact CD2-CD1 3.79Å; L90-I112 HydrophobicContact CD2-CG1 4.14Å; L90-L137 HydrophobicContact CB-CD1 4.45Å; L90-L137 HydrophobicContact CD2-CD1 4.03Å; L90-L137 HydrophobicContact CG-CD1 4.31Å |
| 91 | H | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 174 | -161.7 | 173.4 | 0 | 0 | 0 | 111.6 | C87 H88 V89 L94 R95 Y133 L137 E186 D222 | C87-H91 WeakPolarHBondContact O-CB 3.44Å; C87-H91 PolarHBondContact O-N 2.88Å; H88-H91 WeakPolarHBondContact O-CB 3.49Å; H88-H91 PolarHBondContact O-N 3.44Å; V89-H91 VanDerWaalsContact C-N 3.31Å; V89-H91 PolarHBondContact O-N 3.06Å; H91-L94 PolarHBondContact O-N 3.35Å; H91-R95 WeakPolarHBondContact O-CB 3.28Å; H91-R95 PolarHBondContact O-N 3.44Å; H91-Y133 HydrophobicContact CB-CE2 4.07Å; H91-Y133 WeakPolarHBondContact CB-OH 3.31Å; H91-Y133 AromaticContact ND1-CE2 3.5Å; H91-Y133 AromaticContact ND1-CZ 3.68Å; H91-Y133 PolarHBondContact ND1-OH 3.44Å; H91-L137 HydrophobicContact CB-CD2 3.77Å; H91-E186 IonicContact CE1-OE1 3.92Å; H91-D222 IonicContact NE2-OD2 3.76Å; H91-D222 PolarHBondContact NE2-OD2 3.25Å |
| 92 | K | 96.4 | Very high | 94.7 | Very high | 15 Ų | 15 | 17.2 Ų | 17.2 | 7% | 0.065 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.4 | -63.8 | -177.5 | 77.7 | 131 | 0 | 111.8 | E48 A51 I55 H88 V89 L94 R95 D96 Q218 | E48-K92 IonicContact OE1-NZ 2.69Å; E48-K92 PolarHBondContact OE1-NZ 2.89Å; E48-K92 IonicContact OE2-NZ 3.13Å; E48-K92 PolarHBondContact OE2-NZ 3.24Å; A51-K92 HydrophobicContact CB-CD 4.35Å; I55-K92 HydrophobicContact CD1-CB 4.23Å; H88-K92 WeakPolarHBondContact O-CG 3.28Å; H88-K92 PolarHBondContact O-N 2.84Å; H88-K92 VanDerWaalsContact O-N 3.1Å; V89-K92 PolarHBondContact O-N 3.38Å; K92-L94 PolarHBondContact O-N 3.03Å; K92-R95 PolarHBondContact O-N 3.49Å; K92-D96 PolarHBondContact O-N 3.13Å; K92-Q218 HydrophobicContact CG-CG 4.05Å |
| 93 | V | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.4 | 166 | 0 | 0 | 0 | 0 | 111.7 | I54 I55 T58 V89 L90 G97 V101 | I54-V93 HydrophobicContact CG2-CG2 3.66Å; I55-V93 HydrophobicContact CG1-CG2 4.34Å; T58-V93 HydrophobicContact CG2-CG1 4.04Å; V89-V93 HydrophobicContact CG1-CG2 4.25Å; V89-V93 WeakPolarHBondContact O-CB 3.47Å; V89-V93 WeakPolarHBondContact O-CG2 3.36Å; V89-V93 PolarHBondContact O-N 2.6Å; L90-V93 PolarHBondContact O-N 2.89Å; V93-G97 WeakPolarHBondContact O-CA 3.26Å; V93-G97 PolarHBondContact O-N 2.82Å; V93-V101 HydrophobicContact CG1-CG1 3.6Å; V93-V101 HydrophobicContact CG1-CG2 4.42Å |
| 94 | L | 95.3 | Very high | 94 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 173.4 | -76.6 | 165.1 | 0 | 0 | 0 | 111.2 | L90 H91 K92 V101 L102 C105 L137 I141 A152 | L90-L94 HydrophobicContact CD1-CD1 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.14Å; L90-L94 HydrophobicContact CG-CD1 4.1Å; L90-L94 HydrophobicContact CG-CG 4.5Å; L90-L94 WeakPolarHBondContact O-CB 3.37Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.39Å; H91-L94 PolarHBondContact O-N 3.35Å; K92-L94 PolarHBondContact O-N 3.03Å; L94-V101 HydrophobicContact CD2-CG1 4.3Å; L94-L102 HydrophobicContact CD2-CD2 3.87Å; L94-C105 HydrophobicContact CD2-CB 4.03Å; L94-L137 HydrophobicContact CD1-CD2 4.02Å; L94-I141 HydrophobicContact CD1-CD1 4.24Å; L94-I141 HydrophobicContact CD1-CG1 3.99Å; L94-I141 HydrophobicContact CD2-CD1 4.49Å; L94-I141 HydrophobicContact CD2-CG1 3.89Å; L94-A152 WeakPolarHBondContact O-CB 3.48Å |
| 95 | R | 93.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 5% | 0.053 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.7 | -49.2 | -174.8 | -166.2 | -177.6 | 159.6 | 73.2 | 16.2 | 112.9 | H91 K92 G153 E155 D222 | H91-R95 WeakPolarHBondContact O-CB 3.28Å; H91-R95 PolarHBondContact O-N 3.44Å; K92-R95 PolarHBondContact O-N 3.49Å; R95-G153 PolarHBondContact NH1-O 3.22Å; R95-G153 PolarHBondContact NH2-O 3.43Å; R95-E155 IonicContact NH2-OE1 3.61Å; R95-E155 PolarHBondContact NH2-OE1 2.91Å; R95-D222 IonicContact CZ-OD1 2.73Å; R95-D222 IonicContact NH1-OD1 3.96Å; R95-D222 PolarHBondContact NH1-OD1 3.43Å |
| 96 | D | 93.5 | Very high | 93.3 | Very high | 71 Ų | 71 | 27.7 Ų | 27.7 | 38% | 0.38 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -115 | -5.2 | -166.1 | -52.7 | -40.3 | 0 | 0 | 0 | 113.4 | I55 H59 K92 | I55-D96 HydrophobicContact CD1-CB 4.16Å; I55-D96 HydrophobicContact CG2-CB 4.01Å; I55-D96 VanDerWaalsContact CG2-O 3.25Å; I55-D96 WeakPolarHBondContact CG2-O 3.33Å; H59-D96 PolarHBondContact NE2-O 3.35Å; K92-D96 PolarHBondContact O-N 3.13Å |
| 97 | G | 91.1 | Very high | 92.9 | Very high | 12 Ų | 12 | 34 Ų | 34 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -75.7 | 179.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T58 V93 | T58-G97 VanDerWaalsContact OG1-CA 3.23Å; T58-G97 WeakPolarHBondContact OG1-CA 3.46Å; V93-G97 WeakPolarHBondContact O-CA 3.26Å; V93-G97 PolarHBondContact O-N 2.82Å |
| 98 | H | 94 | Very high | 92.6 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | trans | -59.2 | 145.1 | 178.5 | -173.1 | -92.8 | 0 | 0 | 0 | 111.7 | T58 H59 K62 N100 V101 | T58-H98 VanDerWaalsContact O-CB 3.3Å; T58-H98 WeakPolarHBondContact O-CB 3.31Å; T58-H98 PolarHBondContact OG1-N 2.89Å; T58-H98 VanDerWaalsContact OG1-N 3.08Å; H59-H98 AromaticContact ND1-CD2 3.95Å; K62-H98 VanDerWaalsContact C-ND1 3.34Å; K62-H98 PolarHBondContact O-ND1 3.47Å; H98-N100 PolarHBondContact CE1-ND2 2.67Å; H98-N100 VanDerWaalsContact CE1-ND2 3.35Å; H98-N100 WeakPolarHBondContact ND1-CB 3.43Å; H98-N100 PolarHBondContact ND1-N 3.47Å; H98-N100 PolarHBondContact O-N 3.35Å; H98-V101 HydrophobicContact CB-CG2 4.27Å; H98-V101 WeakPolarHBondContact O-CB 3.49Å; H98-V101 WeakPolarHBondContact O-CG2 3.42Å; H98-V101 PolarHBondContact O-N 3.23Å | ||
| 99 | P | 88.4 | Confident | 92.4 | Very high | 93 Ų | 93 | 39.2 Ų | 39.2 | 60% | 0.604 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -32.2 | -178.2 | -30.4 | 36.4 | 0 | 0 | 0 | 115.2 | V101 L102 | P99-V101 PolarHBondContact O-N 3.47Å; P99-L102 PolarHBondContact O-N 2.91Å |
| 100 | N | 89.4 | Confident | 92.2 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.8 | 177.5 | -68.1 | -13.8 | 0 | 0 | 0 | 114.1 | K62 H98 L102 H103 D104 | K62-N100 WeakPolarHBondContact O-CB 3.4Å; K62-N100 PolarHBondContact O-ND2 2.9Å; H98-N100 PolarHBondContact CE1-ND2 2.67Å; H98-N100 VanDerWaalsContact CE1-ND2 3.35Å; H98-N100 WeakPolarHBondContact ND1-CB 3.43Å; H98-N100 PolarHBondContact ND1-N 3.47Å; H98-N100 PolarHBondContact O-N 3.35Å; N100-L102 PolarHBondContact O-N 3.1Å; N100-L102 VanDerWaalsContact O-N 3.16Å; N100-H103 WeakPolarHBondContact O-CB 3.42Å; N100-H103 PolarHBondContact O-N 3.39Å; N100-D104 PolarHBondContact O-N 2.94Å |
| 101 | V | 92.3 | Very high | 92 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.2 | -36.8 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | T58 A64 V93 L94 H98 P99 H103 D104 C105 | T58-V101 HydrophobicContact CG2-CG2 4.06Å; A64-V101 HydrophobicContact CB-CB 4.3Å; A64-V101 HydrophobicContact CB-CG1 4.02Å; A64-V101 HydrophobicContact CB-CG2 3.81Å; V93-V101 HydrophobicContact CG1-CG1 3.6Å; V93-V101 HydrophobicContact CG1-CG2 4.42Å; L94-V101 HydrophobicContact CD2-CG1 4.3Å; H98-V101 HydrophobicContact CB-CG2 4.27Å; H98-V101 WeakPolarHBondContact O-CB 3.49Å; H98-V101 WeakPolarHBondContact O-CG2 3.42Å; H98-V101 PolarHBondContact O-N 3.23Å; P99-V101 PolarHBondContact O-N 3.47Å; V101-H103 VanDerWaalsContact C-N 3.33Å; V101-H103 PolarHBondContact O-N 2.95Å; V101-D104 PolarHBondContact O-N 3.45Å; V101-C105 WeakPolarHBondContact O-CB 3.45Å; V101-C105 PolarHBondContact O-N 2.85Å; V101-C105 PolarHBondContact O-SG 3.36Å |
| 102 | L | 89.7 | Confident | 91.8 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -43.1 | 176.4 | -75.1 | 169.4 | 0 | 0 | 0 | 112.7 | L94 P99 N100 Q106 H144 L145 A152 | L94-L102 HydrophobicContact CD2-CD2 3.87Å; P99-L102 PolarHBondContact O-N 2.91Å; N100-L102 PolarHBondContact O-N 3.1Å; N100-L102 VanDerWaalsContact O-N 3.16Å; L102-Q106 PolarHBondContact O-N 3.39Å; L102-H144 HydrophobicContact CD1-CB 3.79Å; L102-H144 HydrophobicContact CD2-CB 3.79Å; L102-H144 HydrophobicContact CG-CB 4.45Å; L102-L145 HydrophobicContact CB-CD2 4.36Å; L102-A152 HydrophobicContact CD1-CB 4.25Å; L102-A152 HydrophobicContact CD2-CB 4.22Å; L102-A152 HydrophobicContact CG-CB 4.43Å |
| 103 | H | 88.6 | Confident | 91.8 | Very high | 121 Ų | 121 | 49 Ų | 49 | 56% | 0.56 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -70.9 | -37.2 | 177.5 | -74.1 | -74 | 0 | 0 | 0 | 111.9 | N100 V101 Q106 | N100-H103 WeakPolarHBondContact O-CB 3.42Å; N100-H103 PolarHBondContact O-N 3.39Å; V101-H103 VanDerWaalsContact C-N 3.33Å; V101-H103 PolarHBondContact O-N 2.95Å; H103-Q106 WeakPolarHBondContact O-CB 3.33Å; H103-Q106 PolarHBondContact O-N 2.84Å |
| 104 | D | 88.1 | Confident | 91.7 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 17% | 0.166 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 177.1 | -66.6 | -23.9 | 0 | 0 | 0 | 111.3 | G63 A64 N100 V101 Q106 R107 Y108 | G63-D104 VanDerWaalsContact CA-OD2 3.26Å; G63-D104 WeakPolarHBondContact CA-OD2 3.34Å; A64-D104 HydrophobicContact CB-CB 4.43Å; A64-D104 PolarHBondContact N-OD2 2.85Å; N100-D104 PolarHBondContact O-N 2.94Å; V101-D104 PolarHBondContact O-N 3.45Å; D104-Q106 PolarHBondContact O-N 2.9Å; D104-R107 WeakPolarHBondContact O-CB 3.33Å; D104-R107 PolarHBondContact O-N 2.91Å; D104-R107 VanDerWaalsContact O-N 3.11Å; D104-Y108 WeakPolarHBondContact O-CD2 3.43Å |
| 105 | C | 89.4 | Confident | 91.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -27.1 | 177 | -68.1 | 0 | 0 | 0 | 0 | 113 | W68 L94 V101 R107 Y108 R109 I141 | W68-C105 HydrophobicContact CZ2-CB 4.12Å; W68-C105 PolarHBondContact NE1-SG 3.31Å; L94-C105 HydrophobicContact CD2-CB 4.03Å; V101-C105 WeakPolarHBondContact O-CB 3.45Å; V101-C105 PolarHBondContact O-N 2.85Å; V101-C105 PolarHBondContact O-SG 3.36Å; C105-R107 PolarHBondContact O-N 2.89Å; C105-Y108 PolarHBondContact O-N 3.44Å; C105-Y108 VanDerWaalsContact O-N 3.12Å; C105-R109 PolarHBondContact O-N 2.88Å; C105-I141 HydrophobicContact CB-CD1 3.89Å; C105-I141 HydrophobicContact CB-CG1 4.29Å |
| 106 | Q | 88.6 | Confident | 91.5 | Very high | 81 Ų | 81 | 55 Ų | 55 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.7 | -34.5 | 175.2 | -175.1 | 59.3 | 1.5 | 0 | 0 | 112.4 | L102 H103 D104 Y108 R109 L145 | L102-Q106 PolarHBondContact O-N 3.39Å; H103-Q106 WeakPolarHBondContact O-CB 3.33Å; H103-Q106 PolarHBondContact O-N 2.84Å; D104-Q106 PolarHBondContact O-N 2.9Å; Q106-Y108 PolarHBondContact O-N 3.39Å; Q106-R109 VanDerWaalsContact O-CB 3.3Å; Q106-R109 WeakPolarHBondContact O-CB 3.5Å; Q106-R109 PolarHBondContact O-N 3.2Å; Q106-L145 HydrophobicContact CB-CD1 3.72Å; Q106-L145 VanDerWaalsContact CD-CD1 3.44Å; Q106-L145 HydrophobicContact CG-CD1 3.71Å |
| 107 | R | 88.8 | Confident | 91.6 | Very high | 134 Ų | 134 | 55 Ų | 55 | 51% | 0.506 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.8 | -24.7 | 178.8 | -57.6 | 178.3 | -178.2 | -163.1 | 0.1 | 112.1 | D104 C105 E396 | D104-R107 WeakPolarHBondContact O-CB 3.33Å; D104-R107 PolarHBondContact O-N 2.91Å; D104-R107 VanDerWaalsContact O-N 3.11Å; C105-R107 PolarHBondContact O-N 2.89Å; R107-E396 IonicContact CZ-OE1 2.98Å; R107-E396 IonicContact NH1-OE1 2.78Å; R107-E396 PolarHBondContact NH1-OE1 2.96Å; R107-E396 IonicContact NH2-OE1 3.8Å |
| 108 | Y | 91.6 | Very high | 91.7 | Very high | 55 Ų | 55 | 57.8 Ų | 57.8 | 22% | 0.216 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 14.9 | -177.6 | -59.4 | -70.2 | 0 | 0 | 0 | 113.4 | W68 I72 D104 C105 Q106 S110 N111 I112 | W68-Y108 HydrophobicContact CB-CD2 4.01Å; W68-Y108 HydrophobicContact CB-CE2 3.44Å; W68-Y108 VanDerWaalsContact CB-CE2 3.44Å; W68-Y108 AromaticContact CD1-CD2 3.74Å; W68-Y108 AromaticContact CD1-CE2 3.74Å; W68-Y108 AromaticContact CD2-CD2 3.28Å; W68-Y108 HydrophobicContact CD2-CD2 3.28Å; W68-Y108 AromaticContact CD2-CE2 3.74Å; W68-Y108 HydrophobicContact CD2-CE2 3.74Å; W68-Y108 AromaticContact CD2-CG 3.72Å; W68-Y108 HydrophobicContact CD2-CG 3.72Å; W68-Y108 AromaticContact CE2-CD2 3.59Å; W68-Y108 HydrophobicContact CE3-CD1 4.15Å; W68-Y108 AromaticContact CE3-CD2 3.69Å; W68-Y108 HydrophobicContact CE3-CD2 3.69Å; W68-Y108 HydrophobicContact CE3-CE2 4.26Å; W68-Y108 AromaticContact CE3-CG 3.6Å; W68-Y108 HydrophobicContact CE3-CG 3.6Å; W68-Y108 AromaticContact CG-CD2 3.42Å; W68-Y108 HydrophobicContact CG-CD2 3.42Å; W68-Y108 VanDerWaalsContact CG-CD2 3.42Å; W68-Y108 AromaticContact CG-CE2 3.34Å; W68-Y108 HydrophobicContact CG-CE2 3.34Å; W68-Y108 HydrophobicContact CG-CG 4.25Å; W68-Y108 HydrophobicContact CH2-CG 4.31Å; W68-Y108 HydrophobicContact CZ2-CD2 4.24Å; W68-Y108 HydrophobicContact CZ2-CG 4.41Å; W68-Y108 HydrophobicContact CZ3-CD2 4.32Å; W68-Y108 AromaticContact CZ3-CG 3.92Å; W68-Y108 HydrophobicContact CZ3-CG 3.92Å; W68-Y108 AromaticContact NE1-CD2 3.83Å; I72-Y108 HydrophobicContact CD1-CD1 3.78Å; I72-Y108 HydrophobicContact CD1-CE1 3.13Å; I72-Y108 HydrophobicContact CG1-CD1 4.18Å; I72-Y108 HydrophobicContact CG1-CE1 4.03Å; D104-Y108 WeakPolarHBondContact O-CD2 3.43Å; C105-Y108 PolarHBondContact O-N 3.44Å; C105-Y108 VanDerWaalsContact O-N 3.12Å; Q106-Y108 PolarHBondContact O-N 3.39Å; Y108-S110 VanDerWaalsContact C-N 3.27Å; Y108-S110 PolarHBondContact O-N 2.96Å; Y108-N111 PolarHBondContact O-N 2.85Å; Y108-N111 VanDerWaalsContact O-N 3.16Å; Y108-I112 WeakPolarHBondContact O-CG1 3.29Å; Y108-I112 PolarHBondContact O-N 2.86Å; Y108-I112 VanDerWaalsContact O-N 3.08Å |
| 109 | R | 92.6 | Very high | 91.6 | Very high | 57 Ų | 57 | 56.9 Ų | 56.9 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57 | -38.2 | 179.9 | -170.6 | -178.2 | 173.7 | 73.1 | -2.2 | 112.8 | C105 Q106 R113 L138 S142 | C105-R109 PolarHBondContact O-N 2.88Å; Q106-R109 VanDerWaalsContact O-CB 3.3Å; Q106-R109 WeakPolarHBondContact O-CB 3.5Å; Q106-R109 PolarHBondContact O-N 3.2Å; R109-R113 PolarHBondContact O-N 2.83Å; R109-L138 HydrophobicContact CB-CD2 4.33Å; R109-L138 HydrophobicContact CG-CD2 3.39Å; R109-L138 PolarHBondContact NH1-O 3.34Å; R109-L138 WeakPolarHBondContact O-CD2 3.33Å; R109-S142 PolarHBondContact NH1-OG 3.15Å; R109-S142 PolarHBondContact NH2-OG 3.4Å |
| 110 | S | 92.8 | Very high | 91.6 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 175.5 | 45.2 | 0 | 0 | 0 | 0 | 111.3 | Y108 I112 R113 E114 | Y108-S110 VanDerWaalsContact C-N 3.27Å; Y108-S110 PolarHBondContact O-N 2.96Å; S110-I112 PolarHBondContact O-N 3.5Å; S110-R113 WeakPolarHBondContact O-CB 3.34Å; S110-R113 PolarHBondContact O-N 3.02Å; S110-R113 VanDerWaalsContact O-N 3.08Å; S110-E114 WeakPolarHBondContact O-CG 3.33Å; S110-E114 PolarHBondContact O-N 3.4Å |
| 111 | N | 93 | Very high | 91.5 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | -179.8 | -58.7 | 69.4 | 0 | 0 | 0 | 111.7 | Y108 R113 E114 I115 | Y108-N111 PolarHBondContact O-N 2.85Å; Y108-N111 VanDerWaalsContact O-N 3.16Å; N111-R113 VanDerWaalsContact C-N 3.3Å; N111-R113 PolarHBondContact O-N 2.97Å; N111-E114 PolarHBondContact O-N 3.29Å; N111-I115 VanDerWaalsContact O-CD1 3.31Å; N111-I115 WeakPolarHBondContact O-CD1 3.23Å; N111-I115 VanDerWaalsContact O-CG1 3.27Å; N111-I115 WeakPolarHBondContact O-CG1 3.49Å; N111-I115 PolarHBondContact O-N 2.97Å |
| 112 | I | 95 | Very high | 91 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 177.1 | -61.7 | 164.9 | 0 | 0 | 0 | 110.7 | W68 L90 Y108 S110 G116 T134 L138 I141 | W68-I112 HydrophobicContact CH2-CD1 3.86Å; W68-I112 HydrophobicContact CH2-CG1 3.93Å; W68-I112 HydrophobicContact CZ2-CD1 4.28Å; L90-I112 HydrophobicContact CD2-CD1 3.79Å; L90-I112 HydrophobicContact CD2-CG1 4.14Å; Y108-I112 WeakPolarHBondContact O-CG1 3.29Å; Y108-I112 PolarHBondContact O-N 2.86Å; Y108-I112 VanDerWaalsContact O-N 3.08Å; S110-I112 PolarHBondContact O-N 3.5Å; I112-G116 PolarHBondContact O-N 3.28Å; I112-T134 HydrophobicContact CG2-CG2 4.03Å; I112-T134 WeakPolarHBondContact O-CG2 3.39Å; I112-L138 HydrophobicContact CB-CD2 4.1Å; I112-L138 HydrophobicContact CG2-CD1 4.44Å; I112-L138 HydrophobicContact CG2-CD2 4.04Å; I112-L138 HydrophobicContact CG2-CG 3.94Å; I112-I141 HydrophobicContact CD1-CD1 3.86Å |
| 113 | R | 95.6 | Very high | 90.2 | Very high | 116 Ų | 116 | 69.1 Ų | 69.1 | 44% | 0.438 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -48 | 177.5 | -175.8 | -173.2 | -61.5 | 147.6 | 0.3 | 111.7 | R109 S110 N111 I115 G116 D117 L138 | R109-R113 PolarHBondContact O-N 2.83Å; S110-R113 WeakPolarHBondContact O-CB 3.34Å; S110-R113 PolarHBondContact O-N 3.02Å; S110-R113 VanDerWaalsContact O-N 3.08Å; N111-R113 VanDerWaalsContact C-N 3.3Å; N111-R113 PolarHBondContact O-N 2.97Å; R113-I115 VanDerWaalsContact C-N 3.32Å; R113-I115 PolarHBondContact O-N 3.39Å; R113-G116 CarbonylContact O-C 3.58Å; R113-G116 WeakPolarHBondContact O-CA 3.29Å; R113-G116 PolarHBondContact O-N 3.24Å; R113-D117 WeakPolarHBondContact CG-OD2 3.46Å; R113-D117 PolarHBondContact O-N 3.5Å; R113-L138 HydrophobicContact CB-CD1 3.9Å; R113-L138 HydrophobicContact CG-CD1 4.36Å |
| 114 | E | 94 | Very high | 89.9 | Confident | 120 Ų | 120 | 66.2 Ų | 66.2 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.6 | -41.4 | -179.1 | -73.8 | 165.1 | -160.5 | 0 | 0 | 112 | S110 N111 G116 D117 L118 | S110-E114 WeakPolarHBondContact O-CG 3.33Å; S110-E114 PolarHBondContact O-N 3.4Å; N111-E114 PolarHBondContact O-N 3.29Å; E114-G116 VanDerWaalsContact C-N 3.33Å; E114-G116 PolarHBondContact O-N 2.92Å; E114-D117 PolarHBondContact O-N 3.35Å; E114-L118 VanDerWaalsContact O-CB 3.25Å; E114-L118 WeakPolarHBondContact O-CB 3.44Å; E114-L118 PolarHBondContact O-N 2.84Å |
| 115 | I | 93.3 | Very high | 89.6 | Confident | 22 Ų | 22 | 72.8 Ų | 72.8 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 173.7 | -66 | 157.1 | 0 | 0 | 0 | 110.4 | L76 F86 N111 R113 W119 V130 | L76-I115 HydrophobicContact CB-CD1 4.44Å; L76-I115 HydrophobicContact CD1-CD1 3.44Å; L76-I115 VanDerWaalsContact CD1-CD1 3.44Å; L76-I115 HydrophobicContact CD1-CG1 4.36Å; F86-I115 HydrophobicContact CE1-CD1 4.16Å; N111-I115 VanDerWaalsContact O-CD1 3.31Å; N111-I115 WeakPolarHBondContact O-CD1 3.23Å; N111-I115 VanDerWaalsContact O-CG1 3.27Å; N111-I115 WeakPolarHBondContact O-CG1 3.49Å; N111-I115 PolarHBondContact O-N 2.97Å; R113-I115 VanDerWaalsContact C-N 3.32Å; R113-I115 PolarHBondContact O-N 3.39Å; I115-W119 PolarHBondContact O-N 2.8Å; I115-W119 VanDerWaalsContact O-N 3.14Å; I115-V130 HydrophobicContact CG2-CG1 4.05Å |
| 116 | G | 92.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.3 | -50.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I112 R113 E114 W119 G120 N131 T134 | I112-G116 PolarHBondContact O-N 3.28Å; R113-G116 CarbonylContact O-C 3.58Å; R113-G116 WeakPolarHBondContact O-CA 3.29Å; R113-G116 PolarHBondContact O-N 3.24Å; E114-G116 VanDerWaalsContact C-N 3.33Å; E114-G116 PolarHBondContact O-N 2.92Å; G116-W119 PolarHBondContact O-N 3.47Å; G116-G120 PolarHBondContact O-N 2.91Å; G116-N131 PolarHBondContact O-ND2 2.83Å; G116-T134 WeakPolarHBondContact CA-OG1 3.42Å |
| 117 | D | 93.9 | Very high | 89.8 | Confident | 73 Ų | 73 | 69.4 Ų | 69.4 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | -178.6 | -70 | -20.7 | 0 | 0 | 0 | 111 | R113 E114 W119 G120 H121 | R113-D117 WeakPolarHBondContact CG-OD2 3.46Å; R113-D117 PolarHBondContact O-N 3.5Å; E114-D117 PolarHBondContact O-N 3.35Å; D117-W119 PolarHBondContact O-N 3.37Å; D117-G120 PolarHBondContact O-N 3.29Å; D117-G120 VanDerWaalsContact O-N 3.08Å; D117-H121 PolarHBondContact O-N 3.42Å; D117-H121 PolarHBondContact O-ND1 2.84Å |
| 118 | L | 93.5 | Very high | 89.9 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -50.9 | -56.3 | 174.3 | 173.4 | 68.3 | 0 | 0 | 0 | 111.4 | P77 E114 G120 H121 L122 | P77-L118 HydrophobicContact CB-CD2 3.64Å; P77-L118 HydrophobicContact CG-CD2 3.96Å; E114-L118 VanDerWaalsContact O-CB 3.25Å; E114-L118 WeakPolarHBondContact O-CB 3.44Å; E114-L118 PolarHBondContact O-N 2.84Å; L118-G120 PolarHBondContact O-N 3.48Å; L118-H121 PolarHBondContact O-N 2.94Å; L118-L122 HydrophobicContact CD1-CD1 4.32Å; L118-L122 HydrophobicContact CG-CD1 4.35Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.1Å |
| 119 | W | 93.3 | Very high | 90 | Very high | 18 Ų | 18 | 64 Ų | 64 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.6 | -18.6 | -178.4 | -73.8 | 116.4 | 0 | 0 | 0 | 113.5 | L76 P77 S80 S83 I115 G116 D117 L122 D124 G127 V130 | L76-W119 WeakPolarHBondContact O-CZ2 3.44Å; P77-W119 WeakPolarHBondContact O-CZ2 3.25Å; S80-W119 VanDerWaalsContact N-CH2 3.33Å; S80-W119 VanDerWaalsContact N-CZ2 3.29Å; S83-W119 PolarHBondContact OG-NE1 2.88Å; I115-W119 PolarHBondContact O-N 2.8Å; I115-W119 VanDerWaalsContact O-N 3.14Å; G116-W119 PolarHBondContact O-N 3.47Å; D117-W119 PolarHBondContact O-N 3.37Å; W119-L122 HydrophobicContact CD2-CD1 4.4Å; W119-L122 HydrophobicContact CE3-CB 4.19Å; W119-L122 HydrophobicContact CE3-CD1 3.67Å; W119-L122 HydrophobicContact CH2-CD1 4.44Å; W119-L122 HydrophobicContact CZ3-CD1 3.69Å; W119-D124 HydrophobicContact CE3-CB 4.49Å; W119-D124 HydrophobicContact CZ3-CB 4.43Å; W119-G127 WeakPolarHBondContact CB-O 3.36Å; W119-G127 CarbonylContact O-C 3.31Å; W119-V130 HydrophobicContact CB-CB 4.25Å; W119-V130 HydrophobicContact CB-CG1 4.19Å; W119-V130 HydrophobicContact CG-CB 4.37Å; W119-V130 HydrophobicContact CG-CG1 4.12Å |
| 120 | G | 87.6 | Confident | 90.2 | Very high | 36 Ų | 36 | 61.3 Ų | 61.3 | 37% | 0.371 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.4 | -31.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G116 D117 L118 N131 | G116-G120 PolarHBondContact O-N 2.91Å; D117-G120 PolarHBondContact O-N 3.29Å; D117-G120 VanDerWaalsContact O-N 3.08Å; L118-G120 PolarHBondContact O-N 3.48Å; G120-N131 WeakPolarHBondContact CA-ND2 3.39Å |
| 121 | H | 87.3 | Confident | 90.3 | Very high | 149 Ų | 149 | 59.9 Ų | 59.9 | 69% | 0.69 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -79.8 | -26 | 175.7 | -65 | 94.7 | 0 | 0 | 0 | 112.3 | D117 L118 H123 | D117-H121 PolarHBondContact O-N 3.42Å; D117-H121 PolarHBondContact O-ND1 2.84Å; L118-H121 PolarHBondContact O-N 2.94Å; H121-H123 PolarHBondContact O-ND1 2.9Å |
| 122 | L | 81.6 | Confident | 90.5 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -84 | 125.8 | 178.5 | -61.6 | 174 | 0 | 0 | 0 | 109.9 | L118 W119 D124 | L118-L122 HydrophobicContact CD1-CD1 4.32Å; L118-L122 HydrophobicContact CG-CD1 4.35Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.1Å; W119-L122 HydrophobicContact CD2-CD1 4.4Å; W119-L122 HydrophobicContact CE3-CB 4.19Å; W119-L122 HydrophobicContact CE3-CD1 3.67Å; W119-L122 HydrophobicContact CH2-CD1 4.44Å; W119-L122 HydrophobicContact CZ3-CD1 3.69Å; L122-D124 PolarHBondContact O-N 3.47Å |
| 123 | H | 72.3 | Confident | 90.6 | Very high | 185 Ų | 185 | 58.3 Ų | 58.3 | 86% | 0.856 | 28% | 0.279 | S | S | * | . | trans | -77 | 40.9 | -179.3 | -69.7 | 62.6 | 0 | 0 | 0 | 112.6 | H121 | H121-H123 PolarHBondContact O-ND1 2.9Š| ||
| 124 | D | 82.6 | Confident | 90.7 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 32% | 0.316 | 26% | 0.259 | S | S | . | . | trans | -89 | 144.9 | 178.3 | 179.9 | 61.4 | 0 | 0 | 0 | 111.7 | S80 W119 L122 Y126 G127 Q128 | S80-D124 WeakPolarHBondContact CB-OD2 3.3Å; S80-D124 PolarHBondContact OG-OD2 3.16Å; W119-D124 HydrophobicContact CE3-CB 4.49Å; W119-D124 HydrophobicContact CZ3-CB 4.43Å; L122-D124 PolarHBondContact O-N 3.47Å; D124-Y126 PolarHBondContact OD2-N 3.45Å; D124-Y126 VanDerWaalsContact OD2-N 3.1Å; D124-G127 PolarHBondContact O-N 3.41Å; D124-G127 PolarHBondContact OD2-N 2.87Å; D124-Q128 WeakPolarHBondContact O-CG 3.31Å; D124-Q128 PolarHBondContact O-N 2.84Å | ||
| 125 | R | 82.3 | Confident | 90.9 | Very high | 170 Ų | 170 | 52 Ų | 52 | 64% | 0.642 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63 | -53.3 | -177.1 | -65.1 | -171.5 | -175.1 | -150.4 | 2.3 | 111.5 | G127 Q196 | R125-G127 VanDerWaalsContact C-N 3.32Å; R125-Q196 PolarHBondContact O-NE2 3.08Å; R125-Q196 PolarHBondContact O-OE1 3.42Å |
| 126 | Y | 89.6 | Confident | 91.1 | Very high | 9 Ų | 9 | 51 Ų | 51 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.4 | -32.7 | 175.2 | -88.4 | -79 | 0 | 0 | 0 | 111.4 | E43 S80 I81 W84 D124 Q128 L129 V130 R212 | E43-Y126 HydrophobicContact CG-CE2 4.09Å; E43-Y126 WeakPolarHBondContact CG-OH 3.46Å; E43-Y126 WeakPolarHBondContact OE1-CE2 3.44Å; E43-Y126 PolarHBondContact OE1-OH 3.17Å; S80-Y126 WeakPolarHBondContact OG-CB 3.37Å; I81-Y126 HydrophobicContact CD1-CD2 4.39Å; I81-Y126 HydrophobicContact CD1-CE2 4.22Å; I81-Y126 HydrophobicContact CG1-CD2 3.61Å; I81-Y126 HydrophobicContact CG1-CE2 3.67Å; I81-Y126 HydrophobicContact CG1-CG 4.09Å; W84-Y126 HydrophobicContact CB-CD1 3.79Å; W84-Y126 HydrophobicContact CB-CE1 4.25Å; W84-Y126 AromaticContact CD1-CD1 3.9Å; W84-Y126 AromaticContact CD1-CE1 3.51Å; W84-Y126 HydrophobicContact CD2-CD1 4.08Å; W84-Y126 HydrophobicContact CD2-CE1 4.26Å; W84-Y126 AromaticContact CG-CD1 3.63Å; W84-Y126 HydrophobicContact CG-CD1 3.63Å; W84-Y126 AromaticContact CG-CE1 3.74Å; W84-Y126 HydrophobicContact CG-CE1 3.74Å; W84-Y126 AromaticContact NE1-CE1 3.86Å; D124-Y126 PolarHBondContact OD2-N 3.45Å; D124-Y126 VanDerWaalsContact OD2-N 3.1Å; Y126-Q128 VanDerWaalsContact C-N 3.33Å; Y126-Q128 PolarHBondContact O-N 3.41Å; Y126-L129 HydrophobicContact CD1-CD1 4.18Å; Y126-L129 CarbonylContact O-C 3.47Å; Y126-L129 WeakPolarHBondContact O-CA 3.42Å; Y126-L129 WeakPolarHBondContact O-CB 3.42Å; Y126-L129 PolarHBondContact O-N 2.92Å; Y126-V130 WeakPolarHBondContact O-CG2 3.48Å; Y126-V130 PolarHBondContact O-N 3Å; Y126-R212 HydrophobicContact CE1-CG 3.75Å; Y126-R212 VanDerWaalsContact CE2-CZ 3.45Å; Y126-R212 VanDerWaalsContact CZ-CZ 3.49Å; Y126-R212 VanDerWaalsContact OH-CG 3.24Å; Y126-R212 WeakPolarHBondContact OH-CG 3.49Å; Y126-R212 VanDerWaalsContact OH-CZ 3.29Å; Y126-R212 PolarHBondContact OH-NH1 2.98Å |
| 127 | G | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.9 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W119 D124 R125 L129 V130 N131 | W119-G127 WeakPolarHBondContact CB-O 3.36Å; W119-G127 CarbonylContact O-C 3.31Å; D124-G127 PolarHBondContact O-N 3.41Å; D124-G127 PolarHBondContact OD2-N 2.87Å; R125-G127 VanDerWaalsContact C-N 3.32Å; G127-L129 VanDerWaalsContact C-N 3.31Å; G127-L129 PolarHBondContact O-N 2.82Å; G127-V130 WeakPolarHBondContact O-CB 3.42Å; G127-V130 PolarHBondContact O-N 3.42Å; G127-N131 PolarHBondContact O-N 3.2Å |
| 128 | Q | 91.2 | Very high | 91.5 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 36% | 0.355 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.4 | -40 | 173 | -70.3 | 178.4 | 12.2 | 0 | 0 | 112.5 | D124 Y126 N131 V132 | D124-Q128 WeakPolarHBondContact O-CG 3.31Å; D124-Q128 PolarHBondContact O-N 2.84Å; Y126-Q128 VanDerWaalsContact C-N 3.33Å; Y126-Q128 PolarHBondContact O-N 3.41Å; Q128-N131 PolarHBondContact O-N 2.85Å; Q128-V132 WeakPolarHBondContact O-CG2 3.47Å; Q128-V132 PolarHBondContact O-N 3.18Å |
| 129 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 176.5 | -59.9 | -180 | 0 | 0 | 0 | 111.3 | W84 Y126 G127 V132 Y133 V193 Q196 | W84-L129 HydrophobicContact CE3-CB 3.66Å; W84-L129 HydrophobicContact CH2-CB 4.08Å; W84-L129 HydrophobicContact CH2-CD1 4.33Å; W84-L129 HydrophobicContact CZ2-CD1 4.49Å; W84-L129 HydrophobicContact CZ3-CB 3.41Å; W84-L129 VanDerWaalsContact CZ3-CB 3.41Å; W84-L129 HydrophobicContact CZ3-CD1 4.38Å; W84-L129 HydrophobicContact CZ3-CG 4.44Å; Y126-L129 HydrophobicContact CD1-CD1 4.18Å; Y126-L129 CarbonylContact O-C 3.47Å; Y126-L129 WeakPolarHBondContact O-CA 3.42Å; Y126-L129 WeakPolarHBondContact O-CB 3.42Å; Y126-L129 PolarHBondContact O-N 2.92Å; G127-L129 VanDerWaalsContact C-N 3.31Å; G127-L129 PolarHBondContact O-N 2.82Å; L129-V132 PolarHBondContact O-N 3.49Å; L129-Y133 WeakPolarHBondContact O-CB 3.4Å; L129-Y133 PolarHBondContact O-N 3.21Å; L129-V193 HydrophobicContact CD1-CG2 4.4Å; L129-V193 HydrophobicContact CD2-CG2 4.05Å; L129-Q196 VanDerWaalsContact CD1-OE1 3.29Å; L129-Q196 HydrophobicContact CD2-CG 4.4Å |
| 130 | V | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 176 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | W84 I115 W119 Y126 G127 V132 Y133 T134 | W84-V130 HydrophobicContact CB-CG2 3.94Å; W84-V130 HydrophobicContact CE3-CG2 4.35Å; I115-V130 HydrophobicContact CG2-CG1 4.05Å; W119-V130 HydrophobicContact CB-CB 4.25Å; W119-V130 HydrophobicContact CB-CG1 4.19Å; W119-V130 HydrophobicContact CG-CB 4.37Å; W119-V130 HydrophobicContact CG-CG1 4.12Å; Y126-V130 WeakPolarHBondContact O-CG2 3.48Å; Y126-V130 PolarHBondContact O-N 3Å; G127-V130 WeakPolarHBondContact O-CB 3.42Å; G127-V130 PolarHBondContact O-N 3.42Å; V130-V132 VanDerWaalsContact C-N 3.34Å; V130-V132 PolarHBondContact O-N 3.43Å; V130-Y133 PolarHBondContact O-N 3.01Å; V130-T134 HydrophobicContact CG1-CG2 4.16Å; V130-T134 WeakPolarHBondContact O-CB 3.35Å; V130-T134 WeakPolarHBondContact O-CG2 3.28Å; V130-T134 PolarHBondContact O-N 3.35Å; V130-T134 PolarHBondContact O-OG1 3.4Å |
| 131 | N | 95.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 175.7 | -177.6 | -90.6 | 0 | 0 | 0 | 112.1 | G116 G120 G127 Q128 T134 K135 | G116-N131 PolarHBondContact O-ND2 2.83Å; G120-N131 WeakPolarHBondContact CA-ND2 3.39Å; G127-N131 PolarHBondContact O-N 3.2Å; Q128-N131 PolarHBondContact O-N 2.85Å; N131-T134 PolarHBondContact O-OG1 2.95Å; N131-K135 WeakPolarHBondContact O-CG 3.47Å; N131-K135 PolarHBondContact O-N 2.69Å; N131-K135 WeakPolarHBondContact OD1-CE 3.39Å; N131-K135 PolarHBondContact OD1-NZ 2.93Å |
| 132 | V | 96.3 | Very high | 92.5 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 13% | 0.127 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.4 | -40.7 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | Q128 L129 V130 K135 L136 K188 L189 | Q128-V132 WeakPolarHBondContact O-CG2 3.47Å; Q128-V132 PolarHBondContact O-N 3.18Å; L129-V132 PolarHBondContact O-N 3.49Å; V130-V132 VanDerWaalsContact C-N 3.34Å; V130-V132 PolarHBondContact O-N 3.43Å; V132-K135 PolarHBondContact O-N 2.83Å; V132-L136 PolarHBondContact O-N 2.95Å; V132-L136 VanDerWaalsContact O-N 3.13Å; V132-K188 HydrophobicContact CG1-CB 4.47Å; V132-K188 HydrophobicContact CG1-CG 4.06Å; V132-L189 HydrophobicContact CB-CD1 4.42Å; V132-L189 HydrophobicContact CG1-CB 4.12Å; V132-L189 HydrophobicContact CG1-CD1 4.15Å |
| 133 | Y | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.9 | -42.7 | -177.6 | -156.4 | 169.7 | 0 | 0 | 0 | 112.2 | W84 C87 H88 H91 L129 V130 K135 L136 L137 L189 P215 | W84-Y133 HydrophobicContact CD2-CD1 4.49Å; W84-Y133 AromaticContact CE3-CD1 3.75Å; W84-Y133 HydrophobicContact CE3-CD1 3.75Å; W84-Y133 AromaticContact CH2-CD1 3.89Å; W84-Y133 HydrophobicContact CH2-CD1 3.89Å; W84-Y133 HydrophobicContact CH2-CE1 4.29Å; W84-Y133 AromaticContact CZ3-CD1 3.38Å; W84-Y133 HydrophobicContact CZ3-CD1 3.38Å; W84-Y133 HydrophobicContact CZ3-CE1 4.19Å; W84-Y133 HydrophobicContact CZ3-CG 4.11Å; C87-Y133 HydrophobicContact CB-CD1 3.31Å; C87-Y133 HydrophobicContact CB-CD2 4.27Å; C87-Y133 HydrophobicContact CB-CE1 3.73Å; C87-Y133 HydrophobicContact CB-CG 3.64Å; H88-Y133 HydrophobicContact CB-CE1 4.29Å; H91-Y133 HydrophobicContact CB-CE2 4.07Å; H91-Y133 WeakPolarHBondContact CB-OH 3.31Å; H91-Y133 AromaticContact ND1-CE2 3.5Å; H91-Y133 AromaticContact ND1-CZ 3.68Å; H91-Y133 PolarHBondContact ND1-OH 3.44Å; L129-Y133 WeakPolarHBondContact O-CB 3.4Å; L129-Y133 PolarHBondContact O-N 3.21Å; V130-Y133 PolarHBondContact O-N 3.01Å; Y133-K135 VanDerWaalsContact C-N 3.28Å; Y133-K135 PolarHBondContact O-N 3.38Å; Y133-L136 HydrophobicContact CD2-CB 4.42Å; Y133-L136 HydrophobicContact CD2-CD2 3.99Å; Y133-L136 HydrophobicContact CE2-CD2 3.99Å; Y133-L136 WeakPolarHBondContact O-CA 3.32Å; Y133-L136 WeakPolarHBondContact O-CB 3.3Å; Y133-L136 PolarHBondContact O-N 3.45Å; Y133-L136 VanDerWaalsContact O-N 3.08Å; Y133-L137 HydrophobicContact CD2-CD1 4.3Å; Y133-L137 HydrophobicContact CD2-CD2 4.3Å; Y133-L137 HydrophobicContact CD2-CG 3.96Å; Y133-L137 HydrophobicContact CE2-CD1 4.5Å; Y133-L137 HydrophobicContact CE2-CD2 3.95Å; Y133-L137 HydrophobicContact CE2-CG 4.11Å; Y133-L137 WeakPolarHBondContact O-CG 3.46Å; Y133-L137 PolarHBondContact O-N 2.95Å; Y133-L189 HydrophobicContact CD1-CD2 4.23Å; Y133-L189 HydrophobicContact CD2-CD2 3.56Å; Y133-L189 HydrophobicContact CE1-CD2 4.39Å; Y133-L189 HydrophobicContact CE2-CD2 3.76Å; Y133-L189 HydrophobicContact CG-CD1 4.14Å; Y133-L189 HydrophobicContact CG-CD2 3.8Å; Y133-P215 HydrophobicContact CE1-CB 3.69Å; Y133-P215 HydrophobicContact CE1-CG 4.12Å |
| 134 | T | 97.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.1 | -38.3 | 175.8 | 47.9 | 0 | 0 | 0 | 0 | 112 | I112 G116 V130 N131 L137 L138 | I112-T134 HydrophobicContact CG2-CG2 4.03Å; I112-T134 WeakPolarHBondContact O-CG2 3.39Å; G116-T134 WeakPolarHBondContact CA-OG1 3.42Å; V130-T134 HydrophobicContact CG1-CG2 4.16Å; V130-T134 WeakPolarHBondContact O-CB 3.35Å; V130-T134 WeakPolarHBondContact O-CG2 3.28Å; V130-T134 PolarHBondContact O-N 3.35Å; V130-T134 PolarHBondContact O-OG1 3.4Å; N131-T134 PolarHBondContact O-OG1 2.95Å; T134-L137 PolarHBondContact O-N 2.85Å; T134-L138 WeakPolarHBondContact O-CB 3.4Å; T134-L138 WeakPolarHBondContact O-CG 3.37Å; T134-L138 PolarHBondContact O-N 3.46Å |
| 135 | K | 97.4 | Very high | 94.7 | Very high | 102 Ų | 102 | 26.9 Ų | 26.9 | 44% | 0.443 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 172.2 | -73.4 | 169.9 | 177.7 | 162.8 | 0 | 112.7 | N131 V132 Y133 L138 T139 | N131-K135 WeakPolarHBondContact O-CG 3.47Å; N131-K135 PolarHBondContact O-N 2.69Å; N131-K135 WeakPolarHBondContact OD1-CE 3.39Å; N131-K135 PolarHBondContact OD1-NZ 2.93Å; V132-K135 PolarHBondContact O-N 2.83Å; Y133-K135 VanDerWaalsContact C-N 3.28Å; Y133-K135 PolarHBondContact O-N 3.38Å; K135-L138 PolarHBondContact O-N 3.47Å; K135-T139 WeakPolarHBondContact O-CB 3.38Å; K135-T139 PolarHBondContact O-N 2.87Å; K135-T139 PolarHBondContact O-OG1 3.06Å |
| 136 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.8 | -51.3 | 173.4 | 169.6 | 64.2 | 0 | 0 | 0 | 111.2 | V132 Y133 L138 T139 K140 Y182 C185 E186 L189 | V132-L136 PolarHBondContact O-N 2.95Å; V132-L136 VanDerWaalsContact O-N 3.13Å; Y133-L136 HydrophobicContact CD2-CB 4.42Å; Y133-L136 HydrophobicContact CD2-CD2 3.99Å; Y133-L136 HydrophobicContact CE2-CD2 3.99Å; Y133-L136 WeakPolarHBondContact O-CA 3.32Å; Y133-L136 WeakPolarHBondContact O-CB 3.3Å; Y133-L136 PolarHBondContact O-N 3.45Å; Y133-L136 VanDerWaalsContact O-N 3.08Å; L136-L138 VanDerWaalsContact C-N 3.3Å; L136-L138 PolarHBondContact O-N 2.88Å; L136-T139 WeakPolarHBondContact O-CB 3.35Å; L136-T139 PolarHBondContact O-N 3.3Å; L136-K140 PolarHBondContact O-N 3Å; L136-Y182 HydrophobicContact CD1-CD2 4.06Å; L136-Y182 HydrophobicContact CD1-CE2 3.84Å; L136-C185 HydrophobicContact CB-CB 4.27Å; L136-C185 HydrophobicContact CD1-CB 3.68Å; L136-E186 VanDerWaalsContact CD1-CD 3.48Å; L136-E186 HydrophobicContact CD1-CG 3.79Å; L136-E186 WeakPolarHBondContact CD1-OE1 3.44Å; L136-E186 VanDerWaalsContact CD2-OE2 3.28Å; L136-E186 WeakPolarHBondContact CD2-OE2 3.27Å; L136-L189 HydrophobicContact CD2-CB 4.45Å; L136-L189 HydrophobicContact CD2-CD2 3.54Å |
| 137 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.7 | -41.2 | -179.5 | -64.8 | 175.4 | 0 | 0 | 0 | 112 | C87 L90 H91 L94 Y133 T134 T139 K140 I141 | C87-L137 HydrophobicContact CB-CD1 3.88Å; L90-L137 HydrophobicContact CB-CD1 4.45Å; L90-L137 HydrophobicContact CD2-CD1 4.03Å; L90-L137 HydrophobicContact CG-CD1 4.31Å; H91-L137 HydrophobicContact CB-CD2 3.77Å; L94-L137 HydrophobicContact CD1-CD2 4.02Å; Y133-L137 HydrophobicContact CD2-CD1 4.3Å; Y133-L137 HydrophobicContact CD2-CD2 4.3Å; Y133-L137 HydrophobicContact CD2-CG 3.96Å; Y133-L137 HydrophobicContact CE2-CD1 4.5Å; Y133-L137 HydrophobicContact CE2-CD2 3.95Å; Y133-L137 HydrophobicContact CE2-CG 4.11Å; Y133-L137 WeakPolarHBondContact O-CG 3.46Å; Y133-L137 PolarHBondContact O-N 2.95Å; T134-L137 PolarHBondContact O-N 2.85Å; L137-T139 VanDerWaalsContact C-N 3.33Å; L137-T139 PolarHBondContact O-N 2.86Å; L137-K140 PolarHBondContact O-N 3.12Å; L137-I141 WeakPolarHBondContact O-CB 3.39Å; L137-I141 WeakPolarHBondContact O-CD1 3.3Å; L137-I141 VanDerWaalsContact O-CG1 3.24Å; L137-I141 WeakPolarHBondContact O-CG1 3.44Å; L137-I141 PolarHBondContact O-N 3.41Å |
| 138 | L | 97.1 | Very high | 95.3 | Very high | 15 Ų | 15 | 30 Ų | 30 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 176 | -70.3 | 170 | 0 | 0 | 0 | 112.5 | R109 I112 R113 T134 K135 L136 S142 | R109-L138 HydrophobicContact CB-CD2 4.33Å; R109-L138 HydrophobicContact CG-CD2 3.39Å; R109-L138 PolarHBondContact NH1-O 3.34Å; R109-L138 WeakPolarHBondContact O-CD2 3.33Å; I112-L138 HydrophobicContact CB-CD2 4.1Å; I112-L138 HydrophobicContact CG2-CD1 4.44Å; I112-L138 HydrophobicContact CG2-CD2 4.04Å; I112-L138 HydrophobicContact CG2-CG 3.94Å; R113-L138 HydrophobicContact CB-CD1 3.9Å; R113-L138 HydrophobicContact CG-CD1 4.36Å; T134-L138 WeakPolarHBondContact O-CB 3.4Å; T134-L138 WeakPolarHBondContact O-CG 3.37Å; T134-L138 PolarHBondContact O-N 3.46Å; K135-L138 PolarHBondContact O-N 3.47Å; L136-L138 VanDerWaalsContact C-N 3.3Å; L136-L138 PolarHBondContact O-N 2.88Å; L138-S142 WeakPolarHBondContact O-CB 3.46Å; L138-S142 PolarHBondContact O-N 2.98Å; L138-S142 VanDerWaalsContact O-N 3.08Å; L138-S142 PolarHBondContact O-OG 3.42Å |
| 139 | T | 96.8 | Very high | 95.2 | Very high | 42 Ų | 42 | 29.7 Ų | 29.7 | 26% | 0.258 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.1 | -47.5 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | K135 L136 L137 I141 S142 F143 | K135-T139 WeakPolarHBondContact O-CB 3.38Å; K135-T139 PolarHBondContact O-N 2.87Å; K135-T139 PolarHBondContact O-OG1 3.06Å; L136-T139 WeakPolarHBondContact O-CB 3.35Å; L136-T139 PolarHBondContact O-N 3.3Å; L137-T139 VanDerWaalsContact C-N 3.33Å; L137-T139 PolarHBondContact O-N 2.86Å; T139-I141 PolarHBondContact O-N 3.38Å; T139-S142 PolarHBondContact O-N 2.9Å; T139-F143 WeakPolarHBondContact O-CB 3.39Å; T139-F143 PolarHBondContact O-N 2.96Å |
| 140 | K | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.7 | -52.6 | 174.7 | -178.7 | 172.5 | -173.1 | 82.4 | 0 | 111.6 | L136 L137 S142 F143 H144 A152 Y182 D222 | L136-K140 PolarHBondContact O-N 3Å; L137-K140 PolarHBondContact O-N 3.12Å; K140-S142 PolarHBondContact O-N 3.44Å; K140-F143 PolarHBondContact O-N 2.96Å; K140-H144 PolarHBondContact O-CD2 2.95Å; K140-H144 PolarHBondContact O-N 3.31Å; K140-A152 PolarHBondContact NZ-O 3.46Å; K140-Y182 HydrophobicContact CB-CE2 4.11Å; K140-Y182 VanDerWaalsContact CD-OH 3.27Å; K140-Y182 WeakPolarHBondContact CD-OH 3.46Å; K140-Y182 HydrophobicContact CG-CE1 4.42Å; K140-Y182 HydrophobicContact CG-CE2 4.46Å; K140-Y182 WeakPolarHBondContact CG-OH 3.48Å; K140-Y182 PolarHBondContact NZ-OH 3.33Å; K140-D222 IonicContact NZ-OD1 3.75Å; K140-D222 IonicContact NZ-OD2 2.87Å; K140-D222 PolarHBondContact NZ-OD2 2.98Å |
| 141 | I | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 178.1 | -68.2 | 163 | 0 | 0 | 0 | 110.9 | L94 C105 I112 L137 T139 F143 L145 | L94-I141 HydrophobicContact CD1-CD1 4.24Å; L94-I141 HydrophobicContact CD1-CG1 3.99Å; L94-I141 HydrophobicContact CD2-CD1 4.49Å; L94-I141 HydrophobicContact CD2-CG1 3.89Å; C105-I141 HydrophobicContact CB-CD1 3.89Å; C105-I141 HydrophobicContact CB-CG1 4.29Å; I112-I141 HydrophobicContact CD1-CD1 3.86Å; L137-I141 WeakPolarHBondContact O-CB 3.39Å; L137-I141 WeakPolarHBondContact O-CD1 3.3Å; L137-I141 VanDerWaalsContact O-CG1 3.24Å; L137-I141 WeakPolarHBondContact O-CG1 3.44Å; L137-I141 PolarHBondContact O-N 3.41Å; T139-I141 PolarHBondContact O-N 3.38Å; I141-F143 PolarHBondContact O-N 3.47Å; I141-L145 HydrophobicContact CG2-CD1 3.67Å; I141-L145 HydrophobicContact CG2-CG 4.44Å; I141-L145 WeakPolarHBondContact O-CB 3.26Å; I141-L145 WeakPolarHBondContact O-CD1 3.4Å; I141-L145 VanDerWaalsContact O-CG 3.26Å; I141-L145 WeakPolarHBondContact O-CG 3.5Å; I141-L145 PolarHBondContact O-N 3.27Å; I141-L145 VanDerWaalsContact O-N 3.09Å |
| 142 | S | 95.3 | Very high | 94.4 | Very high | 43 Ų | 43 | 31.9 Ų | 31.9 | 30% | 0.301 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.9 | -42 | 179.6 | -76 | 0 | 0 | 0 | 0 | 113 | R109 L138 T139 K140 K146 | R109-S142 PolarHBondContact NH1-OG 3.15Å; R109-S142 PolarHBondContact NH2-OG 3.4Å; L138-S142 WeakPolarHBondContact O-CB 3.46Å; L138-S142 PolarHBondContact O-N 2.98Å; L138-S142 VanDerWaalsContact O-N 3.08Å; L138-S142 PolarHBondContact O-OG 3.42Å; T139-S142 PolarHBondContact O-N 2.9Å; K140-S142 PolarHBondContact O-N 3.44Å; S142-K146 WeakPolarHBondContact O-CB 3.26Å; S142-K146 PolarHBondContact O-N 2.91Å; S142-K146 VanDerWaalsContact O-N 3.09Å |
| 143 | F | 95.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 4% | 0.044 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -51.7 | 179.7 | 178.1 | -92.6 | 0 | 0 | 0 | 111.2 | T139 K140 I141 L145 K146 H147 F150 L154 L175 E178 M179 Y182 | T139-F143 WeakPolarHBondContact O-CB 3.39Å; T139-F143 PolarHBondContact O-N 2.96Å; K140-F143 PolarHBondContact O-N 2.96Å; I141-F143 PolarHBondContact O-N 3.47Å; F143-L145 PolarHBondContact O-N 3.03Å; F143-K146 PolarHBondContact O-N 3.41Å; F143-H147 AromaticContact CD2-CD2 3.84Å; F143-H147 AromaticContact CE2-CD2 3.5Å; F143-H147 HydrophobicContact CZ-CB 4.34Å; F143-H147 AromaticContact CZ-CD2 3.84Å; F143-H147 PolarHBondContact O-CD2 3.45Å; F143-H147 PolarHBondContact O-N 3.28Å; F143-F150 HydrophobicContact CE1-CB 4.15Å; F143-F150 HydrophobicContact CE1-CD2 4.04Å; F143-F150 HydrophobicContact CE1-CG 4.3Å; F143-F150 AromaticContact CZ-CD2 3.92Å; F143-F150 HydrophobicContact CZ-CD2 3.92Å; F143-F150 HydrophobicContact CZ-CE2 4.36Å; F143-L154 HydrophobicContact CE1-CD2 4.29Å; F143-L175 HydrophobicContact CE2-CD1 4.12Å; F143-L175 HydrophobicContact CZ-CD1 4.17Å; F143-E178 HydrophobicContact CD2-CB 4.16Å; F143-E178 HydrophobicContact CE2-CB 4.17Å; F143-M179 HydrophobicContact CE1-CE 4.04Å; F143-M179 HydrophobicContact CE1-SD 4.22Å; F143-M179 HydrophobicContact CE2-CE 4.1Å; F143-M179 HydrophobicContact CE2-CG 4.36Å; F143-M179 HydrophobicContact CE2-SD 3.89Å; F143-M179 HydrophobicContact CZ-CE 3.3Å; F143-M179 HydrophobicContact CZ-CG 4.44Å; F143-M179 HydrophobicContact CZ-SD 3.53Å; F143-M179 VanDerWaalsContact CZ-SD 3.53Å; F143-Y182 HydrophobicContact CB-CD1 4.25Å; F143-Y182 AromaticContact CD1-CD1 3.95Å; F143-Y182 HydrophobicContact CD1-CD1 3.95Å; F143-Y182 HydrophobicContact CD1-CE1 4.07Å; F143-Y182 AromaticContact CG-CD1 3.95Å; F143-Y182 HydrophobicContact CG-CD1 3.95Å; F143-Y182 HydrophobicContact CG-CE1 4.42Å |
| 144 | H | 94.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72 | -27.7 | -175.9 | -69.4 | -67.7 | 0 | 0 | 0 | 113.7 | L102 K140 H147 P148 F150 P151 Y182 | L102-H144 HydrophobicContact CD1-CB 3.79Å; L102-H144 HydrophobicContact CD2-CB 3.79Å; L102-H144 HydrophobicContact CG-CB 4.45Å; K140-H144 PolarHBondContact O-CD2 2.95Å; K140-H144 PolarHBondContact O-N 3.31Å; H144-H147 CarbonylContact O-C 3.6Å; H144-H147 VanDerWaalsContact O-C 3.31Å; H144-P148 WeakPolarHBondContact O-CA 3.21Å; H144-F150 PolarHBondContact ND1-O 3.44Å; H144-P151 PolarHBondContact CE1-O 3.1Å; H144-P151 PolarHBondContact ND1-O 3.34Å; H144-Y182 AromaticContact NE2-CE1 3.69Å |
| 145 | L | 92.5 | Very high | 93.3 | Very high | 49 Ų | 49 | 37 Ų | 37 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -71.6 | -35 | 170.6 | -72 | 169.9 | 0 | 0 | 0 | 112.4 | L102 Q106 I141 F143 | L102-L145 HydrophobicContact CB-CD2 4.36Å; Q106-L145 HydrophobicContact CB-CD1 3.72Å; Q106-L145 VanDerWaalsContact CD-CD1 3.44Å; Q106-L145 HydrophobicContact CG-CD1 3.71Å; I141-L145 HydrophobicContact CG2-CD1 3.67Å; I141-L145 HydrophobicContact CG2-CG 4.44Å; I141-L145 WeakPolarHBondContact O-CB 3.26Å; I141-L145 WeakPolarHBondContact O-CD1 3.4Å; I141-L145 VanDerWaalsContact O-CG 3.26Å; I141-L145 WeakPolarHBondContact O-CG 3.5Å; I141-L145 PolarHBondContact O-N 3.27Å; I141-L145 VanDerWaalsContact O-N 3.09Å; F143-L145 PolarHBondContact O-N 3.03Å |
| 146 | K | 93.6 | Very high | 92.9 | Very high | 120 Ų | 120 | 32.9 Ų | 32.9 | 52% | 0.522 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -72.3 | -34.8 | 175.8 | -172.4 | 175.4 | -178.8 | 178.5 | 0 | 111.5 | S142 F143 P148 E178 | S142-K146 WeakPolarHBondContact O-CB 3.26Å; S142-K146 PolarHBondContact O-N 2.91Å; S142-K146 VanDerWaalsContact O-N 3.09Å; F143-K146 PolarHBondContact O-N 3.41Å; K146-P148 WeakPolarHBondContact O-CD 3.4Å; K146-E178 IonicContact NZ-OE1 3.26Å; K146-E178 PolarHBondContact NZ-OE1 3.44Å; K146-E178 IonicContact NZ-OE2 2.64Å |
| 147 | H | 92.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 11% | 0.111 | 20% | 0.204 | C | C | . | . | trans | -124.4 | 73.8 | -177.4 | -57.7 | -73.4 | 0 | 0 | 0 | 112.1 | F143 H144 Q149 F150 E178 | F143-H147 AromaticContact CD2-CD2 3.84Å; F143-H147 AromaticContact CE2-CD2 3.5Å; F143-H147 HydrophobicContact CZ-CB 4.34Å; F143-H147 AromaticContact CZ-CD2 3.84Å; F143-H147 PolarHBondContact O-CD2 3.45Å; F143-H147 PolarHBondContact O-N 3.28Å; H144-H147 CarbonylContact O-C 3.6Å; H144-H147 VanDerWaalsContact O-C 3.31Å; H147-Q149 VanDerWaalsContact CA-OE1 3.27Å; H147-Q149 PolarHBondContact ND1-NE2 2.88Å; H147-Q149 PolarHBondContact O-N 3.29Å; H147-F150 HydrophobicContact CB-CD2 3.66Å; H147-F150 HydrophobicContact CB-CE2 4.19Å; H147-F150 PolarHBondContact O-N 3.02Å; H147-E178 IonicContact CD2-OE2 3.65Å; H147-E178 IonicContact CE1-OE2 3.44Å; H147-E178 IonicContact NE2-OE2 3.33Å; H147-E178 PolarHBondContact NE2-OE2 3.34Å | ||
| 148 | P | 90 | Very high | 92.1 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 66% | 0.656 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.1 | -177.2 | 26.7 | -36.3 | 0 | 0 | 0 | 113.9 | H144 K146 F150 | H144-P148 WeakPolarHBondContact O-CA 3.21Å; K146-P148 WeakPolarHBondContact O-CD 3.4Å; P148-F150 PolarHBondContact O-N 3.48Å |
| 149 | Q | 89.2 | Confident | 91.7 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.6 | 173.5 | 65.9 | -81.5 | 14.7 | 0 | 0 | 113.7 | H147 A164 | H147-Q149 VanDerWaalsContact CA-OE1 3.27Å; H147-Q149 PolarHBondContact ND1-NE2 2.88Å; H147-Q149 PolarHBondContact O-N 3.29Å; Q149-A164 HydrophobicContact CG-CB 3.46Å; Q149-A164 VanDerWaalsContact CG-CB 3.46Å |
| 150 | F | 91.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -100.9 | 111.3 | 170 | -59.3 | -75.5 | 0 | 0 | 0 | 109.3 | F143 H144 H147 P148 L154 V156 L161 A164 L175 M179 | F143-F150 HydrophobicContact CE1-CB 4.15Å; F143-F150 HydrophobicContact CE1-CD2 4.04Å; F143-F150 HydrophobicContact CE1-CG 4.3Å; F143-F150 AromaticContact CZ-CD2 3.92Å; F143-F150 HydrophobicContact CZ-CD2 3.92Å; F143-F150 HydrophobicContact CZ-CE2 4.36Å; H144-F150 PolarHBondContact ND1-O 3.44Å; H147-F150 HydrophobicContact CB-CD2 3.66Å; H147-F150 HydrophobicContact CB-CE2 4.19Å; H147-F150 PolarHBondContact O-N 3.02Å; P148-F150 PolarHBondContact O-N 3.48Å; F150-L154 HydrophobicContact CB-CD2 4.45Å; F150-V156 HydrophobicContact CD1-CG1 4.04Å; F150-V156 HydrophobicContact CD1-CG2 3.76Å; F150-V156 HydrophobicContact CE1-CG2 3.82Å; F150-L161 HydrophobicContact CE1-CD1 3.79Å; F150-L161 HydrophobicContact CZ-CD1 3.8Å; F150-A164 HydrophobicContact CE1-CB 4.39Å; F150-A164 HydrophobicContact CE2-CB 3.75Å; F150-A164 HydrophobicContact CZ-CB 3.49Å; F150-A164 VanDerWaalsContact CZ-CB 3.49Å; F150-L175 HydrophobicContact CE2-CD1 3.92Å; F150-L175 HydrophobicContact CE2-CD2 4.24Å; F150-L175 HydrophobicContact CZ-CD2 4.2Å; F150-M179 HydrophobicContact CD1-CE 4.27Å; F150-M179 HydrophobicContact CD2-CE 4.18Å; F150-M179 HydrophobicContact CE1-CE 4.01Å; F150-M179 HydrophobicContact CE2-CE 3.94Å; F150-M179 HydrophobicContact CG-CE 4.37Å; F150-M179 HydrophobicContact CZ-CE 3.84Å |
| 151 | P | 90.3 | Very high | 91.1 | Very high | 60 Ų | 60 | 47 Ų | 47 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | trans | -62.2 | 159.4 | 172.1 | 29.7 | -33.3 | 0 | 0 | 0 | 109.7 | H144 G153 L154 V156 | H144-P151 PolarHBondContact CE1-O 3.1Å; H144-P151 PolarHBondContact ND1-O 3.34Å; P151-G153 PolarHBondContact O-N 2.89Å; P151-L154 WeakPolarHBondContact O-CA 3.45Å; P151-L154 PolarHBondContact O-N 2.85Å; P151-V156 HydrophobicContact CG-CG1 4.17Å | ||
| 152 | A | 88.3 | Confident | 90.8 | Very high | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L94 L102 K140 L154 | L94-A152 WeakPolarHBondContact O-CB 3.48Å; L102-A152 HydrophobicContact CD1-CB 4.25Å; L102-A152 HydrophobicContact CD2-CB 4.22Å; L102-A152 HydrophobicContact CG-CB 4.43Å; K140-A152 PolarHBondContact NZ-O 3.46Å; A152-L154 PolarHBondContact O-N 3.45Å |
| 153 | G | 88.9 | Confident | 90.5 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -10.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R95 P151 E155 | R95-G153 PolarHBondContact NH1-O 3.22Å; R95-G153 PolarHBondContact NH2-O 3.43Å; P151-G153 PolarHBondContact O-N 2.89Å; G153-E155 PolarHBondContact O-N 2.89Å; G153-E155 VanDerWaalsContact O-N 3.12Å |
| 154 | L | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | 58.6 | 10.6 | -173.8 | -70.5 | 164.7 | 0 | 0 | 0 | 114.4 | F143 F150 P151 A152 V156 Y182 D222 H225 L226 Y229 | F143-L154 HydrophobicContact CE1-CD2 4.29Å; F150-L154 HydrophobicContact CB-CD2 4.45Å; P151-L154 WeakPolarHBondContact O-CA 3.45Å; P151-L154 PolarHBondContact O-N 2.85Å; A152-L154 PolarHBondContact O-N 3.45Å; L154-V156 PolarHBondContact O-N 2.99Å; L154-Y182 HydrophobicContact CD1-CE1 4.03Å; L154-Y182 HydrophobicContact CD2-CE1 4.44Å; L154-D222 HydrophobicContact CD1-CB 4.03Å; L154-H225 HydrophobicContact CB-CB 3.78Å; L154-L226 HydrophobicContact CD1-CD1 4.35Å; L154-L226 HydrophobicContact CD1-CD2 3.89Å; L154-L226 HydrophobicContact CD1-CG 3.83Å; L154-L226 HydrophobicContact CD2-CD2 4.3Å; L154-Y229 HydrophobicContact CB-CE2 4.36Å; L154-Y229 VanDerWaalsContact O-CE2 3.25Å; L154-Y229 WeakPolarHBondContact O-CE2 3.43Å; L154-Y229 VanDerWaalsContact O-CZ 3.24Å; L154-Y229 PolarHBondContact O-OH 3.45Å | ||
| 155 | E | 88.1 | Confident | 89.8 | Confident | 120 Ų | 120 | 59.2 Ų | 59.2 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | trans | -81.9 | 101.1 | -180 | -76 | 170 | -151.8 | 0 | 0 | 110.8 | R95 G153 H225 | R95-E155 IonicContact NH2-OE1 3.61Å; R95-E155 PolarHBondContact NH2-OE1 2.91Å; G153-E155 PolarHBondContact O-N 2.89Å; G153-E155 VanDerWaalsContact O-N 3.12Å; E155-H225 WeakPolarHBondContact CG-NE2 3.39Å | ||
| 156 | V | 89 | Confident | 89.5 | Confident | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | trans | -132.8 | 157.9 | 173.5 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | F150 P151 L154 V160 Y229 | F150-V156 HydrophobicContact CD1-CG1 4.04Å; F150-V156 HydrophobicContact CD1-CG2 3.76Å; F150-V156 HydrophobicContact CE1-CG2 3.82Å; P151-V156 HydrophobicContact CG-CG1 4.17Å; L154-V156 PolarHBondContact O-N 2.99Å; V156-V160 HydrophobicContact CB-CB 4.13Å; V156-V160 HydrophobicContact CB-CG1 4.01Å; V156-V160 HydrophobicContact CG1-CG1 4.09Å; V156-Y229 HydrophobicContact CG2-CE1 3.95Å; V156-Y229 HydrophobicContact CG2-CE2 4.12Å; V156-Y229 VanDerWaalsContact CG2-OH 3.23Å; V156-Y229 WeakPolarHBondContact CG2-OH 3.46Å; V156-Y229 PolarHBondContact N-OH 3.12Å; V156-Y229 VanDerWaalsContact N-OH 3.11Å; V156-Y229 PolarHBondContact O-OH 3.37Å | ||
| 157 | T | 89.3 | Confident | 89 | Confident | 82 Ų | 82 | 58.9 Ų | 58.9 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | trans | -76.2 | 160.1 | 170.6 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | E159 V160 L161 | T157-E159 PolarHBondContact O-N 2.71Å; T157-V160 PolarHBondContact O-N 3.46Å; T157-V160 VanDerWaalsContact O-N 3.15Å; T157-V160 WeakPolarHBondContact OG1-CG2 3.49Å; T157-L161 PolarHBondContact O-N 3.49Å; T157-L161 VanDerWaalsContact O-N 3.12Å | ||
| 158 | D | 88.4 | Confident | 88.9 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.7 | -36.8 | 177.7 | -69.8 | -38.2 | 0 | 0 | 0 | 112.9 | V160 L161 E162 H228 K232 | D158-V160 VanDerWaalsContact C-N 3.32Å; D158-V160 PolarHBondContact O-N 3.48Å; D158-L161 WeakPolarHBondContact O-CB 3.35Å; D158-L161 PolarHBondContact O-N 3.33Å; D158-E162 WeakPolarHBondContact O-CG 3.38Å; D158-E162 PolarHBondContact O-N 3.45Å; D158-H228 IonicContact OD1-CE1 3.63Å; D158-H228 IonicContact OD1-NE2 2.66Å; D158-H228 PolarHBondContact OD1-NE2 3.41Å; D158-K232 IonicContact OD1-NZ 3.1Å; D158-K232 PolarHBondContact OD1-NZ 2.89Å; D158-K232 IonicContact OD2-NZ 3.41Å; D158-K232 PolarHBondContact OD2-NZ 3.38Å |
| 159 | E | 88.3 | Confident | 89 | Confident | 155 Ų | 155 | 58.3 Ų | 58.3 | 72% | 0.724 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 176.3 | -62.1 | 177.4 | 179.5 | 0 | 0 | 111.9 | T157 E162 K163 | T157-E159 PolarHBondContact O-N 2.71Å; E159-E162 PolarHBondContact O-N 3.38Å; E159-K163 VanDerWaalsContact O-CB 3.28Å; E159-K163 WeakPolarHBondContact O-CB 3.35Å; E159-K163 PolarHBondContact O-N 2.87Å |
| 160 | V | 89.8 | Confident | 89.1 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 32% | 0.315 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 177.8 | 173 | 0 | 0 | 0 | 0 | 110.5 | V156 T157 D158 K163 A164 | V156-V160 HydrophobicContact CB-CB 4.13Å; V156-V160 HydrophobicContact CB-CG1 4.01Å; V156-V160 HydrophobicContact CG1-CG1 4.09Å; T157-V160 PolarHBondContact O-N 3.46Å; T157-V160 VanDerWaalsContact O-N 3.15Å; T157-V160 WeakPolarHBondContact OG1-CG2 3.49Å; D158-V160 VanDerWaalsContact C-N 3.32Å; D158-V160 PolarHBondContact O-N 3.48Å; V160-K163 PolarHBondContact O-N 2.91Å; V160-A164 WeakPolarHBondContact O-CB 3.47Å; V160-A164 PolarHBondContact O-N 3.29Å |
| 161 | L | 90.8 | Very high | 89 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 173.9 | 175 | 69 | 0 | 0 | 0 | 111.6 | F150 T157 D158 A164 A165 Y229 K232 L233 | F150-L161 HydrophobicContact CE1-CD1 3.79Å; F150-L161 HydrophobicContact CZ-CD1 3.8Å; T157-L161 PolarHBondContact O-N 3.49Å; T157-L161 VanDerWaalsContact O-N 3.12Å; D158-L161 WeakPolarHBondContact O-CB 3.35Å; D158-L161 PolarHBondContact O-N 3.33Å; L161-A164 WeakPolarHBondContact O-CB 3.31Å; L161-A164 PolarHBondContact O-N 3.42Å; L161-A165 WeakPolarHBondContact O-CB 3.42Å; L161-A165 PolarHBondContact O-N 2.92Å; L161-Y229 HydrophobicContact CD1-CD1 4.13Å; L161-Y229 HydrophobicContact CD1-CG 4.04Å; L161-Y229 HydrophobicContact CD2-CD1 3.65Å; L161-Y229 HydrophobicContact CD2-CE1 4.41Å; L161-Y229 HydrophobicContact CD2-CG 4.24Å; L161-Y229 HydrophobicContact CG-CD1 4.37Å; L161-K232 HydrophobicContact CD2-CB 3.87Å; L161-K232 HydrophobicContact CD2-CD 4.12Å; L161-L233 HydrophobicContact CD1-CD1 4.23Å; L161-L233 HydrophobicContact CD1-CD2 4.14Å; L161-L233 HydrophobicContact CD1-CG 4.19Å; L161-L233 HydrophobicContact CG-CD2 4.4Å |
| 162 | E | 88.6 | Confident | 89.1 | Confident | 106 Ų | 106 | 62.1 Ų | 62.1 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | -180 | -75.3 | 180 | -169.7 | 0 | 0 | 112.1 | D158 E159 G166 K236 | D158-E162 WeakPolarHBondContact O-CG 3.38Å; D158-E162 PolarHBondContact O-N 3.45Å; E159-E162 PolarHBondContact O-N 3.38Å; E162-G166 PolarHBondContact O-N 3.44Å; E162-G166 VanDerWaalsContact O-N 3.13Å; E162-K236 PolarHBondContact O-NZ 3.16Å |
| 163 | K | 88.6 | Confident | 89.4 | Confident | 178 Ų | 178 | 65.1 Ų | 65.1 | 77% | 0.774 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.7 | -40.9 | 174.5 | -173.1 | 179.8 | -178.7 | -179.4 | 0 | 112.1 | E159 V160 G166 | E159-K163 VanDerWaalsContact O-CB 3.28Å; E159-K163 WeakPolarHBondContact O-CB 3.35Å; E159-K163 PolarHBondContact O-N 2.87Å; V160-K163 PolarHBondContact O-N 2.91Å; K163-G166 PolarHBondContact O-N 2.92Å |
| 164 | A | 88.2 | Confident | 89.6 | Confident | 27 Ų | 27 | 68.7 Ų | 68.7 | 22% | 0.223 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q149 F150 V160 L161 G166 | Q149-A164 HydrophobicContact CG-CB 3.46Å; Q149-A164 VanDerWaalsContact CG-CB 3.46Å; F150-A164 HydrophobicContact CE1-CB 4.39Å; F150-A164 HydrophobicContact CE2-CB 3.75Å; F150-A164 HydrophobicContact CZ-CB 3.49Å; F150-A164 VanDerWaalsContact CZ-CB 3.49Å; V160-A164 WeakPolarHBondContact O-CB 3.47Å; V160-A164 PolarHBondContact O-N 3.29Å; L161-A164 WeakPolarHBondContact O-CB 3.31Å; L161-A164 PolarHBondContact O-N 3.42Å; A164-G166 PolarHBondContact O-N 2.84Å |
| 165 | A | 87.3 | Confident | 89.7 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.8 | -27.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L161 I172 L175 L233 | L161-A165 WeakPolarHBondContact O-CB 3.42Å; L161-A165 PolarHBondContact O-N 2.92Å; A165-I172 HydrophobicContact CB-CG1 4.06Å; A165-I172 WeakPolarHBondContact O-CG1 3.25Å; A165-L175 HydrophobicContact CB-CD2 3.97Å; A165-L233 HydrophobicContact CB-CD2 3.57Å |
| 166 | G | 86.3 | Confident | 90.1 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | trans | 69.4 | -163.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | E162 K163 A164 K236 | E162-G166 PolarHBondContact O-N 3.44Å; E162-G166 VanDerWaalsContact O-N 3.13Å; K163-G166 PolarHBondContact O-N 2.92Å; A164-G166 PolarHBondContact O-N 2.84Å; G166-K236 PolarHBondContact O-NZ 3.05Å | ||
| 167 | T | 84.6 | Confident | 90.4 | Very high | 139 Ų | 139 | 64 Ų | 64 | 85% | 0.853 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -102.8 | -17.7 | 177.2 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | V169 | T167-V169 PolarHBondContact O-N 2.83Š|
| 168 | D | 89.9 | Confident | 90.7 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | trans | -75.1 | 121.2 | 177.5 | -177.2 | -5 | 0 | 0 | 0 | 110.6 | N170 N171 I172 | D168-N170 PolarHBondContact O-N 2.7Å; D168-N170 WeakPolarHBondContact OD1-CB 3.48Å; D168-N170 PolarHBondContact OD1-N 2.82Å; D168-N170 PolarHBondContact OD1-ND2 3.45Å; D168-N171 HydrophobicContact CB-CB 4.3Å; D168-N171 WeakPolarHBondContact O-CB 3.42Å; D168-N171 PolarHBondContact O-N 2.77Å; D168-I172 WeakPolarHBondContact O-CG1 3.4Å; D168-I172 PolarHBondContact O-N 3.27Å; D168-I172 VanDerWaalsContact O-N 3.14Å | ||
| 169 | V | 90.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 58.3 Ų | 58.3 | 26% | 0.255 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.1 | -35.2 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 112 | T167 N171 I172 F173 C240 L241 | T167-V169 PolarHBondContact O-N 2.83Å; V169-N171 VanDerWaalsContact C-N 3.33Å; V169-N171 PolarHBondContact O-N 2.95Å; V169-I172 PolarHBondContact O-N 3.18Å; V169-F173 VanDerWaalsContact O-CB 3.26Å; V169-F173 WeakPolarHBondContact O-CB 3.47Å; V169-F173 PolarHBondContact O-N 3.1Å; V169-C240 HydrophobicContact CG2-CB 3.8Å; V169-L241 HydrophobicContact CG1-CD1 3.63Å; V169-L241 HydrophobicContact CG1-CD2 3.8Å; V169-L241 HydrophobicContact CG1-CG 3.63Å |
| 170 | N | 91.2 | Very high | 91.5 | Very high | 117 Ų | 117 | 51 Ų | 51 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.8 | -37.8 | 178.7 | -63 | -52.9 | 0 | 0 | 0 | 111.7 | D168 F173 Q174 | D168-N170 PolarHBondContact O-N 2.7Å; D168-N170 WeakPolarHBondContact OD1-CB 3.48Å; D168-N170 PolarHBondContact OD1-N 2.82Å; D168-N170 PolarHBondContact OD1-ND2 3.45Å; N170-F173 PolarHBondContact O-N 3.22Å; N170-Q174 WeakPolarHBondContact O-CB 3.4Å; N170-Q174 PolarHBondContact O-N 2.86Å |
| 171 | N | 90.9 | Very high | 91.9 | Very high | 91 Ų | 91 | 51.7 Ų | 51.7 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 177.7 | -69.1 | -24.5 | 0 | 0 | 0 | 111.2 | D168 V169 F173 Q174 L175 | D168-N171 HydrophobicContact CB-CB 4.3Å; D168-N171 WeakPolarHBondContact O-CB 3.42Å; D168-N171 PolarHBondContact O-N 2.77Å; V169-N171 VanDerWaalsContact C-N 3.33Å; V169-N171 PolarHBondContact O-N 2.95Å; N171-F173 VanDerWaalsContact C-N 3.32Å; N171-F173 PolarHBondContact O-N 3.08Å; N171-Q174 PolarHBondContact O-N 3.46Å; N171-L175 WeakPolarHBondContact O-CB 3.43Å; N171-L175 PolarHBondContact O-N 3.39Å |
| 172 | I | 92.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.3 | -54.9 | 166.2 | 0 | 0 | 0 | 109.9 | A165 D168 V169 T176 L233 K236 L237 | A165-I172 HydrophobicContact CB-CG1 4.06Å; A165-I172 WeakPolarHBondContact O-CG1 3.25Å; D168-I172 WeakPolarHBondContact O-CG1 3.4Å; D168-I172 PolarHBondContact O-N 3.27Å; D168-I172 VanDerWaalsContact O-N 3.14Å; V169-I172 PolarHBondContact O-N 3.18Å; I172-T176 WeakPolarHBondContact O-CB 3.47Å; I172-T176 PolarHBondContact O-N 3.35Å; I172-T176 PolarHBondContact O-OG1 2.83Å; I172-L233 HydrophobicContact CG2-CD2 4.34Å; I172-K236 HydrophobicContact CD1-CD 4.04Å; I172-K236 HydrophobicContact CD1-CG 4.18Å; I172-L237 HydrophobicContact CB-CD2 3.95Å; I172-L237 HydrophobicContact CG2-CD2 3.6Å; I172-L237 HydrophobicContact CG2-CG 3.73Å |
| 173 | F | 92.9 | Very high | 92.6 | Very high | 72 Ų | 72 | 46.7 Ų | 46.7 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.1 | -52.1 | 178.9 | -173.3 | -80.4 | 0 | 0 | 0 | 111 | V169 N170 N171 L175 T176 V177 L237 L241 H249 | V169-F173 VanDerWaalsContact O-CB 3.26Å; V169-F173 WeakPolarHBondContact O-CB 3.47Å; V169-F173 PolarHBondContact O-N 3.1Å; N170-F173 PolarHBondContact O-N 3.22Å; N171-F173 VanDerWaalsContact C-N 3.32Å; N171-F173 PolarHBondContact O-N 3.08Å; F173-L175 PolarHBondContact O-N 2.89Å; F173-T176 WeakPolarHBondContact O-CB 3.47Å; F173-T176 PolarHBondContact O-N 3.47Å; F173-V177 HydrophobicContact CD1-CG2 4.19Å; F173-V177 HydrophobicContact CE1-CG2 4.04Å; F173-V177 WeakPolarHBondContact O-CG2 3.49Å; F173-V177 PolarHBondContact O-N 3.01Å; F173-L237 HydrophobicContact CB-CD2 4.14Å; F173-L241 HydrophobicContact CD2-CD1 4.33Å; F173-H249 AromaticContact CD2-CE1 3.91Å; F173-H249 AromaticContact CD2-NE2 3.93Å; F173-H249 AromaticContact CE1-CE1 3.97Å; F173-H249 AromaticContact CE2-CE1 3.21Å; F173-H249 WeakPolarHBondContact CE2-CE1 3.49Å; F173-H249 AromaticContact CE2-NE2 3.67Å; F173-H249 AromaticContact CZ-CE1 3.26Å; F173-H249 WeakPolarHBondContact CZ-CE1 3.49Å; F173-H249 AromaticContact CZ-NE2 3.8Å |
| 174 | Q | 93.7 | Very high | 93 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 40% | 0.397 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 179.8 | -174.3 | 61.4 | 35 | 0 | 0 | 112 | N170 N171 T176 V177 E178 | N170-Q174 WeakPolarHBondContact O-CB 3.4Å; N170-Q174 PolarHBondContact O-N 2.86Å; N171-Q174 PolarHBondContact O-N 3.46Å; Q174-T176 VanDerWaalsContact C-N 3.29Å; Q174-T176 PolarHBondContact O-N 3.06Å; Q174-V177 PolarHBondContact O-N 2.69Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.26Å; Q174-E178 PolarHBondContact NE2-OE1 3.24Å; Q174-E178 WeakPolarHBondContact O-CG 3.43Å; Q174-E178 PolarHBondContact O-N 3.19Å |
| 175 | L | 94.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -38.9 | 177.3 | -178.5 | 62.3 | 0 | 0 | 0 | 111.4 | F143 F150 A165 N171 F173 E178 M179 L233 | F143-L175 HydrophobicContact CE2-CD1 4.12Å; F143-L175 HydrophobicContact CZ-CD1 4.17Å; F150-L175 HydrophobicContact CE2-CD1 3.92Å; F150-L175 HydrophobicContact CE2-CD2 4.24Å; F150-L175 HydrophobicContact CZ-CD2 4.2Å; A165-L175 HydrophobicContact CB-CD2 3.97Å; N171-L175 WeakPolarHBondContact O-CB 3.43Å; N171-L175 PolarHBondContact O-N 3.39Å; F173-L175 PolarHBondContact O-N 2.89Å; L175-E178 PolarHBondContact O-N 3.24Å; L175-M179 HydrophobicContact CD1-CE 4.17Å; L175-M179 HydrophobicContact CD1-CG 4.49Å; L175-M179 WeakPolarHBondContact O-CB 3.47Å; L175-M179 WeakPolarHBondContact O-CG 3.43Å; L175-M179 PolarHBondContact O-N 3.36Å; L175-L233 HydrophobicContact CD2-CD1 4.11Å; L175-L233 HydrophobicContact CD2-CD2 4.27Å; L175-L233 HydrophobicContact CG-CD1 4Å |
| 176 | T | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | I172 F173 Q174 E178 M179 F180 L233 L237 | I172-T176 WeakPolarHBondContact O-CB 3.47Å; I172-T176 PolarHBondContact O-N 3.35Å; I172-T176 PolarHBondContact O-OG1 2.83Å; F173-T176 WeakPolarHBondContact O-CB 3.47Å; F173-T176 PolarHBondContact O-N 3.47Å; Q174-T176 VanDerWaalsContact C-N 3.29Å; Q174-T176 PolarHBondContact O-N 3.06Å; T176-E178 VanDerWaalsContact C-N 3.35Å; T176-E178 PolarHBondContact O-N 3.1Å; T176-M179 PolarHBondContact O-N 2.96Å; T176-F180 HydrophobicContact CG2-CD2 4.25Å; T176-F180 HydrophobicContact CG2-CE2 3.77Å; T176-F180 HydrophobicContact CG2-CZ 4Å; T176-F180 WeakPolarHBondContact O-CD2 3.32Å; T176-F180 WeakPolarHBondContact O-CG 3.28Å; T176-F180 PolarHBondContact O-N 3.47Å; T176-L233 HydrophobicContact CG2-CB 4.45Å; T176-L233 WeakPolarHBondContact OG1-CB 3.5Å; T176-L237 HydrophobicContact CG2-CD1 4Å; T176-L237 WeakPolarHBondContact OG1-CD1 3.3Å |
| 177 | V | 95.9 | Very high | 94.4 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | F173 Q174 M179 F180 D181 | F173-V177 HydrophobicContact CD1-CG2 4.19Å; F173-V177 HydrophobicContact CE1-CG2 4.04Å; F173-V177 WeakPolarHBondContact O-CG2 3.49Å; F173-V177 PolarHBondContact O-N 3.01Å; Q174-V177 PolarHBondContact O-N 2.69Å; V177-M179 PolarHBondContact O-N 3.15Å; V177-F180 WeakPolarHBondContact O-CB 3.46Å; V177-F180 PolarHBondContact O-N 2.91Å; V177-F180 VanDerWaalsContact O-N 3.13Å; V177-D181 VanDerWaalsContact O-CG 3.3Å; V177-D181 PolarHBondContact O-N 3.43Å |
| 178 | E | 96 | Very high | 95 | Very high | 24 Ų | 24 | 39.7 Ų | 39.7 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.7 | -36.2 | 179.7 | -72.3 | 171.5 | -178.5 | 0 | 0 | 112.6 | F143 K146 H147 Q174 L175 T176 F180 D181 Y182 | F143-E178 HydrophobicContact CD2-CB 4.16Å; F143-E178 HydrophobicContact CE2-CB 4.17Å; K146-E178 IonicContact NZ-OE1 3.26Å; K146-E178 PolarHBondContact NZ-OE1 3.44Å; K146-E178 IonicContact NZ-OE2 2.64Å; H147-E178 IonicContact CD2-OE2 3.65Å; H147-E178 IonicContact CE1-OE2 3.44Å; H147-E178 IonicContact NE2-OE2 3.33Å; H147-E178 PolarHBondContact NE2-OE2 3.34Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.26Å; Q174-E178 PolarHBondContact NE2-OE1 3.24Å; Q174-E178 WeakPolarHBondContact O-CG 3.43Å; Q174-E178 PolarHBondContact O-N 3.19Å; L175-E178 PolarHBondContact O-N 3.24Å; T176-E178 VanDerWaalsContact C-N 3.35Å; T176-E178 PolarHBondContact O-N 3.1Å; E178-F180 VanDerWaalsContact C-N 3.31Å; E178-D181 PolarHBondContact O-N 3.33Å; E178-Y182 WeakPolarHBondContact O-CB 3.45Å; E178-Y182 PolarHBondContact O-N 3.05Å |
| 179 | M | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.3 | -35.4 | 171.2 | -69.7 | -69.2 | -167 | 0 | 0 | 111.7 | F143 F150 L175 T176 V177 M183 L226 Y229 T230 L233 | F143-M179 HydrophobicContact CE1-CE 4.04Å; F143-M179 HydrophobicContact CE1-SD 4.22Å; F143-M179 HydrophobicContact CE2-CE 4.1Å; F143-M179 HydrophobicContact CE2-CG 4.36Å; F143-M179 HydrophobicContact CE2-SD 3.89Å; F143-M179 HydrophobicContact CZ-CE 3.3Å; F143-M179 HydrophobicContact CZ-CG 4.44Å; F143-M179 HydrophobicContact CZ-SD 3.53Å; F143-M179 VanDerWaalsContact CZ-SD 3.53Å; F150-M179 HydrophobicContact CD1-CE 4.27Å; F150-M179 HydrophobicContact CD2-CE 4.18Å; F150-M179 HydrophobicContact CE1-CE 4.01Å; F150-M179 HydrophobicContact CE2-CE 3.94Å; F150-M179 HydrophobicContact CG-CE 4.37Å; F150-M179 HydrophobicContact CZ-CE 3.84Å; L175-M179 HydrophobicContact CD1-CE 4.17Å; L175-M179 HydrophobicContact CD1-CG 4.49Å; L175-M179 WeakPolarHBondContact O-CB 3.47Å; L175-M179 WeakPolarHBondContact O-CG 3.43Å; L175-M179 PolarHBondContact O-N 3.36Å; T176-M179 PolarHBondContact O-N 2.96Å; V177-M179 PolarHBondContact O-N 3.15Å; M179-M183 WeakPolarHBondContact O-CB 3.33Å; M179-M183 PolarHBondContact O-N 3.34Å; M179-L226 HydrophobicContact SD-CD2 3.44Å; M179-L226 WeakPolarHBondContact SD-CD2 3.4Å; M179-Y229 HydrophobicContact CE-CD2 4.06Å; M179-T230 HydrophobicContact CB-CG2 3.76Å; M179-L233 HydrophobicContact CG-CD1 4.32Å |
| 180 | F | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.5 | -43 | 172.3 | -70.9 | -32.8 | 0 | 0 | 0 | 112.6 | T176 V177 E178 Y182 M183 D184 T230 H249 R252 F253 Q256 | T176-F180 HydrophobicContact CG2-CD2 4.25Å; T176-F180 HydrophobicContact CG2-CE2 3.77Å; T176-F180 HydrophobicContact CG2-CZ 4Å; T176-F180 WeakPolarHBondContact O-CD2 3.32Å; T176-F180 WeakPolarHBondContact O-CG 3.28Å; T176-F180 PolarHBondContact O-N 3.47Å; V177-F180 WeakPolarHBondContact O-CB 3.46Å; V177-F180 PolarHBondContact O-N 2.91Å; V177-F180 VanDerWaalsContact O-N 3.13Å; E178-F180 VanDerWaalsContact C-N 3.31Å; F180-Y182 PolarHBondContact O-N 3.46Å; F180-M183 PolarHBondContact O-N 3.29Å; F180-D184 PolarHBondContact O-N 2.88Å; F180-T230 HydrophobicContact CD1-CG2 3.63Å; F180-T230 HydrophobicContact CE1-CG2 3.65Å; F180-H249 HydrophobicContact CE2-CB 4.16Å; F180-H249 AromaticContact CE2-CD2 3.85Å; F180-R252 VanDerWaalsContact CB-CZ 3.45Å; F180-R252 HydrophobicContact CD2-CG 4.49Å; F180-F253 HydrophobicContact CE1-CB 4.11Å; F180-F253 HydrophobicContact CE1-CD2 4.02Å; F180-F253 HydrophobicContact CZ-CB 3.92Å; F180-F253 HydrophobicContact CZ-CD2 4.38Å; F180-Q256 PolarHBondContact O-NE2 3.49Å |
| 181 | D | 97.2 | Very high | 95.7 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 36% | 0.358 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.2 | -39 | 176.6 | -66.1 | -15.6 | 0 | 0 | 0 | 111.2 | V177 E178 C185 R252 | V177-D181 VanDerWaalsContact O-CG 3.3Å; V177-D181 PolarHBondContact O-N 3.43Å; E178-D181 PolarHBondContact O-N 3.33Å; D181-C185 PolarHBondContact O-N 2.97Å; D181-C185 PolarHBondContact O-SG 3.13Å; D181-C185 VanDerWaalsContact O-SG 3.37Å; D181-R252 IonicContact OD1-CZ 3Å; D181-R252 VanDerWaalsContact OD1-CZ 3.27Å; D181-R252 IonicContact OD1-NH1 2.69Å; D181-R252 PolarHBondContact OD1-NH1 3.2Å; D181-R252 IonicContact OD1-NH2 3.53Å; D181-R252 PolarHBondContact OD1-NH2 3.01Å |
| 182 | Y | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66 | -50.6 | 174.8 | -163.2 | 172.4 | 0 | 0 | 0 | 111 | L136 K140 F143 H144 L154 E178 F180 D184 C185 E186 D222 L226 | L136-Y182 HydrophobicContact CD1-CD2 4.06Å; L136-Y182 HydrophobicContact CD1-CE2 3.84Å; K140-Y182 HydrophobicContact CB-CE2 4.11Å; K140-Y182 VanDerWaalsContact CD-OH 3.27Å; K140-Y182 WeakPolarHBondContact CD-OH 3.46Å; K140-Y182 HydrophobicContact CG-CE1 4.42Å; K140-Y182 HydrophobicContact CG-CE2 4.46Å; K140-Y182 WeakPolarHBondContact CG-OH 3.48Å; K140-Y182 PolarHBondContact NZ-OH 3.33Å; F143-Y182 HydrophobicContact CB-CD1 4.25Å; F143-Y182 AromaticContact CD1-CD1 3.95Å; F143-Y182 HydrophobicContact CD1-CD1 3.95Å; F143-Y182 HydrophobicContact CD1-CE1 4.07Å; F143-Y182 AromaticContact CG-CD1 3.95Å; F143-Y182 HydrophobicContact CG-CD1 3.95Å; F143-Y182 HydrophobicContact CG-CE1 4.42Å; H144-Y182 AromaticContact NE2-CE1 3.69Å; L154-Y182 HydrophobicContact CD1-CE1 4.03Å; L154-Y182 HydrophobicContact CD2-CE1 4.44Å; E178-Y182 WeakPolarHBondContact O-CB 3.45Å; E178-Y182 PolarHBondContact O-N 3.05Å; F180-Y182 PolarHBondContact O-N 3.46Å; Y182-D184 VanDerWaalsContact C-N 3.29Å; Y182-D184 PolarHBondContact O-N 3.05Å; Y182-C185 WeakPolarHBondContact O-CB 3.49Å; Y182-C185 PolarHBondContact O-N 2.95Å; Y182-C185 VanDerWaalsContact O-N 3.11Å; Y182-E186 HydrophobicContact CD2-CG 4.09Å; Y182-E186 HydrophobicContact CE2-CG 3.98Å; Y182-E186 WeakPolarHBondContact CE2-OE1 3.47Å; Y182-E186 PolarHBondContact O-N 2.64Å; Y182-E186 VanDerWaalsContact O-N 3.14Å; Y182-D222 PolarHBondContact OH-OD2 2.94Å; Y182-L226 HydrophobicContact CD1-CD1 4.27Å; Y182-L226 HydrophobicContact CD1-CD2 4Å; Y182-L226 HydrophobicContact CD2-CD1 4.09Å; Y182-L226 HydrophobicContact CE1-CD2 4.49Å; Y182-L226 HydrophobicContact CE2-CD1 4.39Å; Y182-L226 HydrophobicContact CG-CD1 3.96Å; Y182-L226 HydrophobicContact CG-CD2 4.34Å |
| 183 | M | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56 | -40.9 | 176.4 | -177.4 | 69 | 83.3 | 0 | 0 | 112.6 | M179 F180 C185 E186 L187 C223 L226 Q256 L260 | M179-M183 WeakPolarHBondContact O-CB 3.33Å; M179-M183 PolarHBondContact O-N 3.34Å; F180-M183 PolarHBondContact O-N 3.29Å; M183-C185 VanDerWaalsContact C-N 3.33Å; M183-C185 PolarHBondContact O-N 3.1Å; M183-E186 PolarHBondContact O-N 3.26Å; M183-L187 HydrophobicContact CG-CD1 3.78Å; M183-L187 HydrophobicContact CG-CG 4.23Å; M183-L187 WeakPolarHBondContact O-CB 3.41Å; M183-L187 VanDerWaalsContact O-CG 3.31Å; M183-L187 WeakPolarHBondContact O-CG 3.49Å; M183-L187 PolarHBondContact O-N 3.03Å; M183-L187 HydrophobicContact SD-CD1 4.22Å; M183-L187 HydrophobicContact SD-CG 4.22Å; M183-C223 HydrophobicContact SD-CB 4.06Å; M183-C223 VanDerWaalsContact SD-SG 3.64Å; M183-L226 HydrophobicContact CB-CD1 4.42Å; M183-L226 HydrophobicContact CE-CB 3.39Å; M183-L226 HydrophobicContact SD-CB 4.29Å; M183-Q256 HydrophobicContact CG-CB 4.39Å; M183-Q256 HydrophobicContact CG-CG 4.29Å; M183-L260 HydrophobicContact CE-CD2 4.21Å |
| 184 | D | 97.3 | Very high | 95.7 | Very high | 57 Ų | 57 | 28.5 Ų | 28.5 | 31% | 0.305 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64 | -38.5 | 178.9 | -78.8 | -22.9 | 0 | 0 | 0 | 112.3 | F180 Y182 K188 R252 Q256 | F180-D184 PolarHBondContact O-N 2.88Å; Y182-D184 VanDerWaalsContact C-N 3.29Å; Y182-D184 PolarHBondContact O-N 3.05Å; D184-K188 WeakPolarHBondContact O-CB 3.35Å; D184-K188 PolarHBondContact O-N 2.64Å; D184-R252 IonicContact OD2-CZ 3.9Å; D184-R252 VanDerWaalsContact OD2-CZ 3.29Å; D184-R252 IonicContact OD2-NE 3.29Å; D184-R252 PolarHBondContact OD2-NE 2.97Å; D184-R252 VanDerWaalsContact OD2-NE 3.1Å; D184-R252 IonicContact OD2-NH2 2.69Å; D184-R252 PolarHBondContact OD2-NH2 3.4Å; D184-Q256 WeakPolarHBondContact OD1-CG 3.42Å; D184-Q256 PolarHBondContact OD1-NE2 3.44Å; D184-Q256 PolarHBondContact OD2-NE2 2.65Å |
| 185 | C | 97.7 | Very high | 95.4 | Very high | 31 Ų | 31 | 32.6 Ų | 32.6 | 21% | 0.209 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 176.6 | -72.5 | 0 | 0 | 0 | 0 | 111.7 | L136 D181 Y182 M183 L189 | L136-C185 HydrophobicContact CB-CB 4.27Å; L136-C185 HydrophobicContact CD1-CB 3.68Å; D181-C185 PolarHBondContact O-N 2.97Å; D181-C185 PolarHBondContact O-SG 3.13Å; D181-C185 VanDerWaalsContact O-SG 3.37Å; Y182-C185 WeakPolarHBondContact O-CB 3.49Å; Y182-C185 PolarHBondContact O-N 2.95Å; Y182-C185 VanDerWaalsContact O-N 3.11Å; M183-C185 VanDerWaalsContact C-N 3.33Å; M183-C185 PolarHBondContact O-N 3.1Å; C185-L189 PolarHBondContact O-N 2.83Å; C185-L189 VanDerWaalsContact O-N 3.13Å |
| 186 | E | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.7 | -49.7 | 175.8 | -69.2 | -68.5 | 177.8 | 0 | 0 | 111.5 | H91 L136 Y182 M183 K188 L189 S190 V219 D222 C223 L226 | H91-E186 IonicContact CE1-OE1 3.92Å; L136-E186 VanDerWaalsContact CD1-CD 3.48Å; L136-E186 HydrophobicContact CD1-CG 3.79Å; L136-E186 WeakPolarHBondContact CD1-OE1 3.44Å; L136-E186 VanDerWaalsContact CD2-OE2 3.28Å; L136-E186 WeakPolarHBondContact CD2-OE2 3.27Å; Y182-E186 HydrophobicContact CD2-CG 4.09Å; Y182-E186 HydrophobicContact CE2-CG 3.98Å; Y182-E186 WeakPolarHBondContact CE2-OE1 3.47Å; Y182-E186 PolarHBondContact O-N 2.64Å; Y182-E186 VanDerWaalsContact O-N 3.14Å; M183-E186 PolarHBondContact O-N 3.26Å; E186-K188 PolarHBondContact O-N 3.34Å; E186-L189 PolarHBondContact O-N 2.82Å; E186-S190 PolarHBondContact O-N 2.85Å; E186-V219 HydrophobicContact CB-CG1 3.92Å; E186-V219 WeakPolarHBondContact O-CG1 3.5Å; E186-V219 WeakPolarHBondContact OE2-CA 3.3Å; E186-V219 WeakPolarHBondContact OE2-CB 3.47Å; E186-V219 VanDerWaalsContact OE2-CG1 3.26Å; E186-V219 WeakPolarHBondContact OE2-CG1 3.13Å; E186-V219 VanDerWaalsContact OE2-CG2 3.27Å; E186-V219 WeakPolarHBondContact OE2-CG2 3.4Å; E186-D222 HydrophobicContact CG-CB 4.49Å; E186-C223 VanDerWaalsContact CB-SG 3.52Å; E186-L226 HydrophobicContact CG-CD1 4.29Å |
| 187 | L | 96.9 | Very high | 94.3 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 179.2 | -69.9 | 174.8 | 0 | 0 | 0 | 111.8 | M183 L189 S190 E191 Q256 L260 F263 | M183-L187 HydrophobicContact CG-CD1 3.78Å; M183-L187 HydrophobicContact CG-CG 4.23Å; M183-L187 WeakPolarHBondContact O-CB 3.41Å; M183-L187 VanDerWaalsContact O-CG 3.31Å; M183-L187 WeakPolarHBondContact O-CG 3.49Å; M183-L187 PolarHBondContact O-N 3.03Å; M183-L187 HydrophobicContact SD-CD1 4.22Å; M183-L187 HydrophobicContact SD-CG 4.22Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.43Å; L187-S190 PolarHBondContact O-N 3.14Å; L187-S190 PolarHBondContact O-OG 3.47Å; L187-E191 WeakPolarHBondContact O-CB 3.44Å; L187-E191 PolarHBondContact O-N 3.07Å; L187-Q256 HydrophobicContact CD1-CB 4.12Å; L187-Q256 HydrophobicContact CD1-CG 4.19Å; L187-L260 HydrophobicContact CD2-CB 4.01Å; L187-L260 HydrophobicContact CD2-CD1 4Å; L187-F263 HydrophobicContact CD2-CD1 4.24Å |
| 188 | K | 96.9 | Very high | 92.6 | Very high | 122 Ų | 122 | 38.8 Ų | 38.8 | 53% | 0.53 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.6 | -36.8 | 177.1 | -172.8 | 171.7 | -172.7 | 166.9 | 0 | 112.8 | V132 D184 E186 S192 | V132-K188 HydrophobicContact CG1-CB 4.47Å; V132-K188 HydrophobicContact CG1-CG 4.06Å; D184-K188 WeakPolarHBondContact O-CB 3.35Å; D184-K188 PolarHBondContact O-N 2.64Å; E186-K188 PolarHBondContact O-N 3.34Å; K188-S192 VanDerWaalsContact O-CB 3.3Å; K188-S192 WeakPolarHBondContact O-CB 3.24Å; K188-S192 PolarHBondContact O-N 2.97Å; K188-S192 PolarHBondContact O-OG 3.38Å |
| 189 | L | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -47.3 | 172.6 | -177.9 | 62 | 0 | 0 | 0 | 110.6 | W84 V132 Y133 L136 C185 E186 L187 E191 S192 V193 V219 | W84-L189 HydrophobicContact CH2-CD1 3.93Å; W84-L189 HydrophobicContact CZ3-CD1 3.96Å; V132-L189 HydrophobicContact CB-CD1 4.42Å; V132-L189 HydrophobicContact CG1-CB 4.12Å; V132-L189 HydrophobicContact CG1-CD1 4.15Å; Y133-L189 HydrophobicContact CD1-CD2 4.23Å; Y133-L189 HydrophobicContact CD2-CD2 3.56Å; Y133-L189 HydrophobicContact CE1-CD2 4.39Å; Y133-L189 HydrophobicContact CE2-CD2 3.76Å; Y133-L189 HydrophobicContact CG-CD1 4.14Å; Y133-L189 HydrophobicContact CG-CD2 3.8Å; L136-L189 HydrophobicContact CD2-CB 4.45Å; L136-L189 HydrophobicContact CD2-CD2 3.54Å; C185-L189 PolarHBondContact O-N 2.83Å; C185-L189 VanDerWaalsContact O-N 3.13Å; E186-L189 PolarHBondContact O-N 2.82Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.43Å; L189-E191 PolarHBondContact O-N 3.25Å; L189-S192 PolarHBondContact O-N 3.48Å; L189-V193 HydrophobicContact CD1-CG2 4.42Å; L189-V193 WeakPolarHBondContact O-CG2 3.4Å; L189-V193 PolarHBondContact O-N 2.88Å; L189-V219 HydrophobicContact CD2-CG2 3.93Å |
| 190 | S | 95.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 178.6 | 81.6 | 0 | 0 | 0 | 0 | 112.4 | E186 L187 S192 V193 F194 | E186-S190 PolarHBondContact O-N 2.85Å; L187-S190 PolarHBondContact O-N 3.14Å; L187-S190 PolarHBondContact O-OG 3.47Å; S190-S192 PolarHBondContact O-N 3.42Å; S190-V193 PolarHBondContact O-N 2.88Å; S190-F194 WeakPolarHBondContact O-CD2 3.43Å; S190-F194 PolarHBondContact O-N 3.5Å |
| 191 | E | 94.1 | Very high | 86.8 | Confident | 130 Ų | 130 | 53.5 Ų | 53.5 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.5 | -45.7 | 178.1 | -172.4 | -170.5 | 177.7 | 0 | 0 | 110.9 | L187 L189 V193 F194 R195 | L187-E191 WeakPolarHBondContact O-CB 3.44Å; L187-E191 PolarHBondContact O-N 3.07Å; L189-E191 PolarHBondContact O-N 3.25Å; E191-V193 VanDerWaalsContact C-N 3.34Å; E191-V193 PolarHBondContact O-N 2.91Å; E191-F194 PolarHBondContact O-N 3.42Å; E191-R195 VanDerWaalsContact O-CB 3.32Å; E191-R195 WeakPolarHBondContact O-CB 3.44Å; E191-R195 PolarHBondContact O-N 2.91Å |
| 192 | S | 93 | Very high | 84.8 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 179.4 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | K188 L189 S190 Q196 | K188-S192 VanDerWaalsContact O-CB 3.3Å; K188-S192 WeakPolarHBondContact O-CB 3.24Å; K188-S192 PolarHBondContact O-N 2.97Å; K188-S192 PolarHBondContact O-OG 3.38Å; L189-S192 PolarHBondContact O-N 3.48Å; S190-S192 PolarHBondContact O-N 3.42Å; S192-Q196 WeakPolarHBondContact O-CG 3.38Å; S192-Q196 PolarHBondContact O-N 2.9Å |
| 193 | V | 92.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 175.9 | 170 | 0 | 0 | 0 | 0 | 110.8 | W84 L129 L189 S190 E191 R195 Q196 L197 R212 L216 | W84-V193 HydrophobicContact CH2-CG2 3.65Å; W84-V193 HydrophobicContact CZ2-CG2 4.04Å; L129-V193 HydrophobicContact CD1-CG2 4.4Å; L129-V193 HydrophobicContact CD2-CG2 4.05Å; L189-V193 HydrophobicContact CD1-CG2 4.42Å; L189-V193 WeakPolarHBondContact O-CG2 3.4Å; L189-V193 PolarHBondContact O-N 2.88Å; S190-V193 PolarHBondContact O-N 2.88Å; E191-V193 VanDerWaalsContact C-N 3.34Å; E191-V193 PolarHBondContact O-N 2.91Å; V193-R195 VanDerWaalsContact C-N 3.35Å; V193-R195 PolarHBondContact O-N 2.76Å; V193-Q196 PolarHBondContact O-N 3.33Å; V193-L197 HydrophobicContact CG1-CD1 3.82Å; V193-L197 WeakPolarHBondContact O-CG 3.44Å; V193-L197 PolarHBondContact O-N 2.89Å; V193-L197 VanDerWaalsContact O-N 3.13Å; V193-R212 HydrophobicContact CG1-CB 4.26Å; V193-R212 WeakPolarHBondContact CG1-O 3.47Å; V193-L216 HydrophobicContact CB-CD1 4.21Å; V193-L216 HydrophobicContact CB-CD2 4.22Å; V193-L216 HydrophobicContact CG1-CD1 3.79Å; V193-L216 HydrophobicContact CG1-CD2 4.45Å; V193-L216 HydrophobicContact CG1-CG 4.21Å; V193-L216 HydrophobicContact CG2-CD2 4.13Å |
| 194 | F | 90.3 | Very high | 81.9 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.1 | -29.8 | 180 | -76.1 | -49.9 | 0 | 0 | 0 | 114.7 | S190 E191 Q196 L197 L213 L216 F263 R266 A267 M270 | S190-F194 WeakPolarHBondContact O-CD2 3.43Å; S190-F194 PolarHBondContact O-N 3.5Å; E191-F194 PolarHBondContact O-N 3.42Å; F194-Q196 PolarHBondContact O-N 3.46Å; F194-L197 HydrophobicContact CD1-CD1 4.1Å; F194-L197 PolarHBondContact O-N 3.43Å; F194-L213 HydrophobicContact CE1-CD2 4.09Å; F194-L216 HydrophobicContact CE1-CD1 4.17Å; F194-L216 HydrophobicContact CE2-CD1 4.03Å; F194-L216 HydrophobicContact CZ-CD1 3.76Å; F194-F263 HydrophobicContact CD2-CD2 4.49Å; F194-F263 AromaticContact CE2-CD2 3.37Å; F194-F263 HydrophobicContact CE2-CD2 3.37Å; F194-F263 AromaticContact CE2-CE2 3.6Å; F194-F263 HydrophobicContact CE2-CE2 3.6Å; F194-F263 HydrophobicContact CE2-CG 4.44Å; F194-F263 AromaticContact CZ-CD2 3.9Å; F194-F263 HydrophobicContact CZ-CD2 3.9Å; F194-F263 AromaticContact CZ-CE2 3.87Å; F194-F263 HydrophobicContact CZ-CE2 3.87Å; F194-R266 HydrophobicContact CE1-CG 4.48Å; F194-R266 PolarHBondContact O-NH2 3.45Å; F194-A267 HydrophobicContact CZ-CB 4.47Å; F194-M270 HydrophobicContact CD1-CE 3.85Å; F194-M270 HydrophobicContact CE1-CE 3.41Å; F194-M270 VanDerWaalsContact CE1-CE 3.41Å; F194-M270 HydrophobicContact CE1-SD 3.89Å; F194-M270 HydrophobicContact CZ-CE 4.47Å |
| 195 | R | 88.3 | Confident | 80.8 | Confident | 171 Ų | 171 | 55.8 Ų | 55.8 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.4 | -32.9 | 174.6 | -172.8 | 179.8 | 70.7 | 177.3 | 3.7 | 111.3 | E191 V193 | E191-R195 VanDerWaalsContact O-CB 3.32Å; E191-R195 WeakPolarHBondContact O-CB 3.44Å; E191-R195 PolarHBondContact O-N 2.91Å; V193-R195 VanDerWaalsContact C-N 3.35Å; V193-R195 PolarHBondContact O-N 2.76Å |
| 196 | Q | 85.5 | Confident | 80.1 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -88.6 | -13.3 | 179.8 | -66.2 | -169.7 | 11.2 | 0 | 0 | 114 | R125 L129 S192 V193 F194 | R125-Q196 PolarHBondContact O-NE2 3.08Å; R125-Q196 PolarHBondContact O-OE1 3.42Å; L129-Q196 VanDerWaalsContact CD1-OE1 3.29Å; L129-Q196 HydrophobicContact CD2-CG 4.4Å; S192-Q196 WeakPolarHBondContact O-CG 3.38Å; S192-Q196 PolarHBondContact O-N 2.9Å; V193-Q196 PolarHBondContact O-N 3.33Å; F194-Q196 PolarHBondContact O-N 3.46Å |
| 197 | L | 81.5 | Confident | 79.5 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -83.2 | 118.2 | 172.3 | -75.8 | 163.4 | 0 | 0 | 0 | 109.8 | V193 F194 T199 V203 R212 L213 | V193-L197 HydrophobicContact CG1-CD1 3.82Å; V193-L197 WeakPolarHBondContact O-CG 3.44Å; V193-L197 PolarHBondContact O-N 2.89Å; V193-L197 VanDerWaalsContact O-N 3.13Å; F194-L197 HydrophobicContact CD1-CD1 4.1Å; F194-L197 PolarHBondContact O-N 3.43Å; L197-T199 PolarHBondContact O-N 3.4Å; L197-V203 HydrophobicContact CD2-CG1 3.83Å; L197-R212 HydrophobicContact CD2-CB 4.37Å; L197-L213 HydrophobicContact CD1-CD2 3.35Å; L197-L213 HydrophobicContact CD1-CG 3.84Å |
| 198 | N | 60.8 | Low | 78.9 | Confident | 123 Ų | 123 | 63.8 Ų | 63.8 | 66% | 0.658 | 34% | 0.343 | S | S | * | . | trans | -54 | 138.2 | 172 | -83.8 | -17.3 | 0 | 0 | 0 | 109.9 | A200 V203 | N198-A200 PolarHBondContact O-N 3.14Å; N198-V203 HydrophobicContact CB-CG2 4.25Å | ||
| 199 | T | 54.8 | Low | 78.5 | Confident | 137 Ų | 137 | 58 Ų | 58 | 84% | 0.84 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -61.9 | 1 | -169.2 | -8.2 | 0 | 0 | 0 | 0 | 115.6 | L197 | L197-T199 PolarHBondContact O-N 3.4Š|
| 200 | A | 56.5 | Low | 78.2 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | trans | -83.2 | 125.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N198 A202 V203 | N198-A200 PolarHBondContact O-N 3.14Å; A200-A202 PolarHBondContact O-N 3.42Å; A200-A202 VanDerWaalsContact O-N 3.07Å; A200-V203 HydrophobicContact CB-CG2 4.25Å; A200-V203 WeakPolarHBondContact O-CB 3.44Å; A200-V203 WeakPolarHBondContact O-CG2 3.4Å; A200-V203 PolarHBondContact O-N 2.92Å | ||
| 201 | I | 56.7 | Low | 78 | Confident | 140 Ų | 140 | 59.8 Ų | 59.8 | 72% | 0.718 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -54.2 | -30.2 | 178 | -62.7 | 171 | 0 | 0 | 0 | 112 | V203 S204 | I201-V203 PolarHBondContact O-N 3.26Å; I201-S204 PolarHBondContact O-N 3.39Å; I201-S204 PolarHBondContact O-OG 3.49Å |
| 202 | A | 54.6 | Low | 77.9 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -60.1 | -27.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A200 S204 Q205 | A200-A202 PolarHBondContact O-N 3.42Å; A200-A202 VanDerWaalsContact O-N 3.07Å; A202-S204 PolarHBondContact O-N 3.16Å; A202-Q205 PolarHBondContact O-N 3.38Å |
| 203 | V | 63.4 | Low | 77.9 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -66.3 | -28.6 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | L197 N198 A200 I201 Q205 M206 G209 | L197-V203 HydrophobicContact CD2-CG1 3.83Å; N198-V203 HydrophobicContact CB-CG2 4.25Å; A200-V203 HydrophobicContact CB-CG2 4.25Å; A200-V203 WeakPolarHBondContact O-CB 3.44Å; A200-V203 WeakPolarHBondContact O-CG2 3.4Å; A200-V203 PolarHBondContact O-N 2.92Å; I201-V203 PolarHBondContact O-N 3.26Å; V203-Q205 PolarHBondContact O-N 2.94Å; V203-M206 PolarHBondContact O-N 3.4Å; V203-G209 WeakPolarHBondContact O-CA 3.18Å |
| 204 | S | 69.4 | Low | 77.9 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -67.3 | -16.8 | 177.4 | 71.4 | 0 | 0 | 0 | 0 | 114 | I201 A202 Q210 | I201-S204 PolarHBondContact O-N 3.39Å; I201-S204 PolarHBondContact O-OG 3.49Å; A202-S204 PolarHBondContact O-N 3.16Å; S204-Q210 WeakPolarHBondContact O-CG 3.45Å |
| 205 | Q | 74.3 | Confident | 78.2 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -97.5 | -12.2 | 177.3 | -63.8 | -60.6 | -71.6 | 0 | 0 | 112.8 | A202 V203 L271 | A202-Q205 PolarHBondContact O-N 3.38Å; V203-Q205 PolarHBondContact O-N 2.94Å; Q205-L271 HydrophobicContact CG-CD2 4.35Å |
| 206 | M | 83.6 | Confident | 78.5 | Confident | 108 Ų | 108 | 46.1 Ų | 46.1 | 53% | 0.532 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -78.9 | 141.3 | 175.8 | -61.4 | -178.1 | 72.1 | 0 | 0 | 110.2 | V203 T208 G209 Q210 | V203-M206 PolarHBondContact O-N 3.4Å; M206-T208 PolarHBondContact O-N 3.44Å; M206-G209 PolarHBondContact O-N 2.88Å; M206-Q210 WeakPolarHBondContact O-CG 3.5Å; M206-Q210 PolarHBondContact O-N 2.98Å |
| 207 | S | 84.1 | Confident | 79 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.3 | -37.4 | 178.2 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | P45 Q210 C211 | P45-S207 WeakPolarHBondContact CD-O 3.42Å; S207-Q210 PolarHBondContact O-N 3.39Å; S207-C211 WeakPolarHBondContact O-CB 3.46Å; S207-C211 PolarHBondContact O-N 3Å |
| 208 | T | 85.3 | Confident | 79.6 | Confident | 39 Ų | 39 | 45 Ų | 45 | 24% | 0.239 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.5 | -37 | 177.6 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | E43 M206 R212 | E43-T208 HydrophobicContact CB-CG2 4.11Å; E43-T208 HydrophobicContact CG-CG2 3.87Å; M206-T208 PolarHBondContact O-N 3.44Å; T208-R212 PolarHBondContact O-NH1 2.93Å |
| 209 | G | 87.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.5 | -42.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | V203 M206 C211 R212 L213 | V203-G209 WeakPolarHBondContact O-CA 3.18Å; M206-G209 PolarHBondContact O-N 2.88Å; G209-C211 VanDerWaalsContact C-N 3.3Å; G209-C211 PolarHBondContact O-N 2.83Å; G209-R212 PolarHBondContact O-N 2.83Å; G209-R212 VanDerWaalsContact O-N 3.09Å; G209-L213 WeakPolarHBondContact O-CG 3.39Å; G209-L213 PolarHBondContact O-N 3.07Å |
| 210 | Q | 90.1 | Very high | 83.3 | Confident | 40 Ų | 40 | 32.6 Ų | 32.6 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 175.6 | -66.1 | 179.1 | -6.9 | 0 | 0 | 112.3 | P45 S204 M206 S207 R212 L213 A214 Y272 | P45-Q210 HydrophobicContact CB-CB 4.27Å; P45-Q210 HydrophobicContact CG-CB 4.03Å; S204-Q210 WeakPolarHBondContact O-CG 3.45Å; M206-Q210 WeakPolarHBondContact O-CG 3.5Å; M206-Q210 PolarHBondContact O-N 2.98Å; S207-Q210 PolarHBondContact O-N 3.39Å; Q210-R212 PolarHBondContact O-N 3.48Å; Q210-L213 PolarHBondContact O-N 3.46Å; Q210-A214 WeakPolarHBondContact O-CB 3.22Å; Q210-A214 PolarHBondContact O-N 2.76Å; Q210-Y272 HydrophobicContact CB-CD2 4.21Å; Q210-Y272 HydrophobicContact CB-CE2 3.85Å; Q210-Y272 HydrophobicContact CG-CD2 3.52Å; Q210-Y272 HydrophobicContact CG-CE2 3.65Å; Q210-Y272 HydrophobicContact CG-CG 4.24Å |
| 211 | C | 92.4 | Very high | 85.1 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.7 | -35.8 | 173.8 | -169.4 | 0 | 0 | 0 | 0 | 112.7 | A44 W84 S207 G209 | A44-C211 PolarHBondContact O-SG 2.95Å; W84-C211 PolarHBondContact NE1-O 3.47Å; S207-C211 WeakPolarHBondContact O-CB 3.46Å; S207-C211 PolarHBondContact O-N 3Å; G209-C211 VanDerWaalsContact C-N 3.3Å; G209-C211 PolarHBondContact O-N 2.83Å |
| 212 | R | 91.9 | Very high | 86.9 | Confident | 35 Ų | 35 | 24.1 Ų | 24.1 | 13% | 0.132 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -80.5 | -34.5 | 175.9 | -64.6 | -179.6 | 179 | 76.4 | -0.5 | 112.7 | E43 Y126 V193 L197 T208 G209 Q210 P215 | E43-R212 IonicContact OE1-CZ 2.76Å; E43-R212 IonicContact OE1-NH1 2.62Å; E43-R212 PolarHBondContact OE1-NH1 3.26Å; E43-R212 IonicContact OE1-NH2 3.8Å; E43-R212 PolarHBondContact OE1-NH2 3.24Å; Y126-R212 HydrophobicContact CE1-CG 3.75Å; Y126-R212 VanDerWaalsContact CE2-CZ 3.45Å; Y126-R212 VanDerWaalsContact CZ-CZ 3.49Å; Y126-R212 VanDerWaalsContact OH-CG 3.24Å; Y126-R212 WeakPolarHBondContact OH-CG 3.49Å; Y126-R212 VanDerWaalsContact OH-CZ 3.29Å; Y126-R212 PolarHBondContact OH-NH1 2.98Å; V193-R212 HydrophobicContact CG1-CB 4.26Å; V193-R212 WeakPolarHBondContact CG1-O 3.47Å; L197-R212 HydrophobicContact CD2-CB 4.37Å; T208-R212 PolarHBondContact O-NH1 2.93Å; G209-R212 PolarHBondContact O-N 2.83Å; G209-R212 VanDerWaalsContact O-N 3.09Å; Q210-R212 PolarHBondContact O-N 3.48Å; R212-P215 WeakPolarHBondContact O-CD 3.35Å |
| 213 | L | 93 | Very high | 88.9 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -79.8 | -31.9 | -176.4 | -71.7 | 171.6 | 0 | 0 | 0 | 113.5 | F194 L197 G209 Q210 P215 L216 M270 Y272 F273 | F194-L213 HydrophobicContact CE1-CD2 4.09Å; L197-L213 HydrophobicContact CD1-CD2 3.35Å; L197-L213 HydrophobicContact CD1-CG 3.84Å; G209-L213 WeakPolarHBondContact O-CG 3.39Å; G209-L213 PolarHBondContact O-N 3.07Å; Q210-L213 PolarHBondContact O-N 3.46Å; L213-P215 VanDerWaalsContact C-CD 3.48Å; L213-L216 HydrophobicContact CD2-CD1 4.13Å; L213-L216 VanDerWaalsContact O-CB 3.3Å; L213-L216 WeakPolarHBondContact O-CB 3.12Å; L213-L216 PolarHBondContact O-N 2.89Å; L213-M270 HydrophobicContact CD1-SD 4.19Å; L213-M270 HydrophobicContact CD2-SD 3.93Å; L213-Y272 HydrophobicContact CB-CD1 3.73Å; L213-Y272 HydrophobicContact CB-CE1 3.8Å; L213-Y272 HydrophobicContact CD1-CD1 4.19Å; L213-Y272 HydrophobicContact CD1-CG 4.46Å; L213-F273 HydrophobicContact CB-CZ 3.97Å; L213-F273 HydrophobicContact CD2-CE2 3.89Å; L213-F273 HydrophobicContact CD2-CZ 3.9Å; L213-F273 HydrophobicContact CG-CZ 4.47Å |
| 214 | A | 93.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -43.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P45 Q210 L216 I217 Q218 Y272 | P45-A214 HydrophobicContact CB-CB 4.49Å; Q210-A214 WeakPolarHBondContact O-CB 3.22Å; Q210-A214 PolarHBondContact O-N 2.76Å; A214-L216 PolarHBondContact O-N 3.49Å; A214-I217 WeakPolarHBondContact O-CB 3.45Å; A214-I217 WeakPolarHBondContact O-CG1 3.31Å; A214-I217 PolarHBondContact O-N 3.45Å; A214-I217 VanDerWaalsContact O-N 3.15Å; A214-Q218 PolarHBondContact O-OE1 3.49Å; A214-Y272 WeakPolarHBondContact CA-OH 3.44Å; A214-Y272 VanDerWaalsContact CB-OH 3.3Å; A214-Y272 WeakPolarHBondContact CB-OH 3.38Å |
| 215 | P | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25.4 | 177.3 | -28.2 | 40.9 | 0 | 0 | 0 | 114.7 | W84 H88 Y133 R212 L213 I217 Q218 V219 | W84-P215 HydrophobicContact CH2-CB 4.43Å; W84-P215 HydrophobicContact CH2-CG 4.31Å; W84-P215 HydrophobicContact CZ2-CB 4.05Å; W84-P215 HydrophobicContact CZ2-CG 3.51Å; H88-P215 HydrophobicContact CB-CB 4.48Å; H88-P215 HydrophobicContact CB-CG 3.85Å; Y133-P215 HydrophobicContact CE1-CB 3.69Å; Y133-P215 HydrophobicContact CE1-CG 4.12Å; R212-P215 WeakPolarHBondContact O-CD 3.35Å; L213-P215 VanDerWaalsContact C-CD 3.48Å; P215-I217 PolarHBondContact O-N 2.83Å; P215-Q218 PolarHBondContact O-N 2.99Å; P215-Q218 PolarHBondContact O-OE1 3.3Å; P215-V219 PolarHBondContact O-N 2.76Å |
| 216 | L | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.5 | -14.3 | 179.8 | -58.3 | -172.7 | 0 | 0 | 0 | 112.7 | V193 F194 L213 A214 Q218 V219 I220 F263 F273 | V193-L216 HydrophobicContact CB-CD1 4.21Å; V193-L216 HydrophobicContact CB-CD2 4.22Å; V193-L216 HydrophobicContact CG1-CD1 3.79Å; V193-L216 HydrophobicContact CG1-CD2 4.45Å; V193-L216 HydrophobicContact CG1-CG 4.21Å; V193-L216 HydrophobicContact CG2-CD2 4.13Å; F194-L216 HydrophobicContact CE1-CD1 4.17Å; F194-L216 HydrophobicContact CE2-CD1 4.03Å; F194-L216 HydrophobicContact CZ-CD1 3.76Å; L213-L216 HydrophobicContact CD2-CD1 4.13Å; L213-L216 VanDerWaalsContact O-CB 3.3Å; L213-L216 WeakPolarHBondContact O-CB 3.12Å; L213-L216 PolarHBondContact O-N 2.89Å; A214-L216 PolarHBondContact O-N 3.49Å; L216-Q218 VanDerWaalsContact C-N 3.35Å; L216-V219 HydrophobicContact CD2-CB 4.45Å; L216-V219 HydrophobicContact CD2-CG2 4Å; L216-V219 PolarHBondContact O-N 2.62Å; L216-I220 WeakPolarHBondContact O-CB 3.42Å; L216-I220 WeakPolarHBondContact O-CD1 3.42Å; L216-I220 WeakPolarHBondContact O-CG1 3.45Å; L216-I220 PolarHBondContact O-N 2.92Å; L216-F263 HydrophobicContact CB-CE2 4.49Å; L216-F263 HydrophobicContact CB-CZ 4.26Å; L216-F263 HydrophobicContact CD1-CE2 4.21Å; L216-F273 HydrophobicContact CB-CE1 4.18Å; L216-F273 HydrophobicContact CB-CZ 3.85Å; L216-F273 HydrophobicContact CD1-CZ 4.27Å |
| 217 | I | 94.6 | Very high | 93 | Very high | 16 Ų | 16 | 12 Ų | 12 | 8% | 0.082 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 172 | -63.9 | 176 | 0 | 0 | 0 | 109.8 | A214 P215 I220 Q221 Y272 F273 L276 I277 | A214-I217 WeakPolarHBondContact O-CB 3.45Å; A214-I217 WeakPolarHBondContact O-CG1 3.31Å; A214-I217 PolarHBondContact O-N 3.45Å; A214-I217 VanDerWaalsContact O-N 3.15Å; P215-I217 PolarHBondContact O-N 2.83Å; I217-I220 PolarHBondContact O-N 3.49Å; I217-Q221 WeakPolarHBondContact O-CG 3.27Å; I217-Q221 PolarHBondContact O-N 3.25Å; I217-Q221 VanDerWaalsContact O-N 3.1Å; I217-Y272 HydrophobicContact CD1-CE1 4.37Å; I217-F273 HydrophobicContact CG1-CD1 3.94Å; I217-F273 HydrophobicContact CG1-CE1 3.8Å; I217-L276 HydrophobicContact CD1-CB 4.38Å; I217-L276 HydrophobicContact CD1-CD1 3.86Å; I217-I277 HydrophobicContact CG1-CD1 4.36Å; I217-I277 HydrophobicContact CG2-CD1 4.38Å; I217-I277 HydrophobicContact CG2-CG2 3.96Å |
| 218 | Q | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 9.2 Ų | 9.2 | 2% | 0.019 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | 178 | -69.9 | 66.2 | 57.1 | 0 | 0 | 110.6 | H88 K92 A214 P215 L216 I220 Q221 D222 | H88-Q218 PolarHBondContact CE1-OE1 2.91Å; H88-Q218 PolarHBondContact ND1-OE1 2.95Å; K92-Q218 HydrophobicContact CG-CG 4.05Å; A214-Q218 PolarHBondContact O-OE1 3.49Å; P215-Q218 PolarHBondContact O-N 2.99Å; P215-Q218 PolarHBondContact O-OE1 3.3Å; L216-Q218 VanDerWaalsContact C-N 3.35Å; Q218-I220 VanDerWaalsContact C-N 3.3Å; Q218-I220 PolarHBondContact O-N 3.28Å; Q218-Q221 PolarHBondContact O-N 3.39Å; Q218-Q221 VanDerWaalsContact O-N 3.17Å; Q218-D222 PolarHBondContact O-N 3.44Å |
| 219 | V | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -56.4 | -44.1 | 175 | -178.3 | 0 | 0 | 0 | 0 | 111 | E186 L189 P215 L216 D222 C223 F263 | E186-V219 HydrophobicContact CB-CG1 3.92Å; E186-V219 WeakPolarHBondContact O-CG1 3.5Å; E186-V219 WeakPolarHBondContact OE2-CA 3.3Å; E186-V219 WeakPolarHBondContact OE2-CB 3.47Å; E186-V219 VanDerWaalsContact OE2-CG1 3.26Å; E186-V219 WeakPolarHBondContact OE2-CG1 3.13Å; E186-V219 VanDerWaalsContact OE2-CG2 3.27Å; E186-V219 WeakPolarHBondContact OE2-CG2 3.4Å; L189-V219 HydrophobicContact CD2-CG2 3.93Å; P215-V219 PolarHBondContact O-N 2.76Å; L216-V219 HydrophobicContact CD2-CB 4.45Å; L216-V219 HydrophobicContact CD2-CG2 4Å; L216-V219 PolarHBondContact O-N 2.62Å; V219-D222 PolarHBondContact O-N 3.25Å; V219-C223 WeakPolarHBondContact O-CB 3.31Å; V219-C223 PolarHBondContact O-N 3.3Å; V219-C223 PolarHBondContact O-SG 3.49Å; V219-F263 HydrophobicContact CB-CE1 4.44Å; V219-F263 HydrophobicContact CB-CZ 4.38Å; V219-F263 HydrophobicContact CG1-CE1 3.67Å; V219-F263 HydrophobicContact CG1-CZ 3.98Å |
| 220 | I | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 178.7 | -71.7 | 160.4 | 0 | 0 | 0 | 111 | L216 I217 Q218 S224 F263 F264 A267 F273 I277 I279 V303 | L216-I220 WeakPolarHBondContact O-CB 3.42Å; L216-I220 WeakPolarHBondContact O-CD1 3.42Å; L216-I220 WeakPolarHBondContact O-CG1 3.45Å; L216-I220 PolarHBondContact O-N 2.92Å; I217-I220 PolarHBondContact O-N 3.49Å; Q218-I220 VanDerWaalsContact C-N 3.3Å; Q218-I220 PolarHBondContact O-N 3.28Å; I220-S224 WeakPolarHBondContact O-CB 3.33Å; I220-S224 PolarHBondContact O-N 2.97Å; I220-S224 VanDerWaalsContact O-N 3.08Å; I220-F263 HydrophobicContact CD1-CE2 4.24Å; I220-F263 HydrophobicContact CD1-CZ 4.02Å; I220-F263 HydrophobicContact CG1-CE1 3.78Å; I220-F263 HydrophobicContact CG1-CE2 4.01Å; I220-F263 HydrophobicContact CG1-CZ 3.37Å; I220-F264 HydrophobicContact CB-CE1 4.27Å; I220-F264 HydrophobicContact CG1-CD1 4.49Å; I220-F264 HydrophobicContact CG1-CE1 4.14Å; I220-F264 HydrophobicContact CG2-CE1 3.98Å; I220-F264 HydrophobicContact CG2-CZ 4.11Å; I220-A267 HydrophobicContact CD1-CB 4.03Å; I220-F273 HydrophobicContact CD1-CD1 4.24Å; I220-F273 HydrophobicContact CD1-CE1 4.22Å; I220-I277 HydrophobicContact CB-CD1 4.4Å; I220-I277 HydrophobicContact CD1-CD1 3.8Å; I220-I277 HydrophobicContact CG2-CD1 4.14Å; I220-I279 HydrophobicContact CD1-CD1 3.72Å; I220-I279 HydrophobicContact CD1-CG1 4.39Å; I220-I279 HydrophobicContact CG2-CG1 4.31Å; I220-I279 HydrophobicContact CG2-CG2 4.37Å; I220-V303 HydrophobicContact CG2-CG1 4.25Å; I220-V303 HydrophobicContact CG2-CG2 3.82Å |
| 221 | Q | 94.3 | Very high | 94.5 | Very high | 19 Ų | 19 | 5.5 Ų | 5.5 | 9% | 0.089 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 178.4 | -67.1 | 175.4 | -74.7 | 0 | 0 | 111.9 | I217 Q218 S224 H225 V303 I305 | I217-Q221 WeakPolarHBondContact O-CG 3.27Å; I217-Q221 PolarHBondContact O-N 3.25Å; I217-Q221 VanDerWaalsContact O-N 3.1Å; Q218-Q221 PolarHBondContact O-N 3.39Å; Q218-Q221 VanDerWaalsContact O-N 3.17Å; Q221-S224 PolarHBondContact O-N 3Å; Q221-H225 PolarHBondContact O-ND1 2.99Å; Q221-V303 HydrophobicContact CG-CG1 4.24Å; Q221-I305 VanDerWaalsContact NE2-CD1 3.33Å |
| 222 | D | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -65.6 | -49.7 | 178.6 | -76.7 | 14.9 | 0 | 0 | 0 | 110.5 | H91 R95 K140 L154 Y182 E186 Q218 V219 S224 H225 L226 | H91-D222 IonicContact NE2-OD2 3.76Å; H91-D222 PolarHBondContact NE2-OD2 3.25Å; R95-D222 IonicContact CZ-OD1 2.73Å; R95-D222 IonicContact NH1-OD1 3.96Å; R95-D222 PolarHBondContact NH1-OD1 3.43Å; K140-D222 IonicContact NZ-OD1 3.75Å; K140-D222 IonicContact NZ-OD2 2.87Å; K140-D222 PolarHBondContact NZ-OD2 2.98Å; L154-D222 HydrophobicContact CD1-CB 4.03Å; Y182-D222 PolarHBondContact OH-OD2 2.94Å; E186-D222 HydrophobicContact CG-CB 4.49Å; Q218-D222 PolarHBondContact O-N 3.44Å; V219-D222 PolarHBondContact O-N 3.25Å; D222-S224 VanDerWaalsContact C-N 3.27Å; D222-S224 PolarHBondContact O-N 3.19Å; D222-H225 PolarHBondContact O-N 3.42Å; D222-H225 VanDerWaalsContact O-N 3.13Å; D222-L226 WeakPolarHBondContact O-CG 3.49Å; D222-L226 PolarHBondContact O-N 3.4Å |
| 223 | C | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -58 | -35.7 | 178.1 | -76.5 | 0 | 0 | 0 | 0 | 113.4 | M183 E186 V219 H225 L226 Y227 L260 F264 | M183-C223 HydrophobicContact SD-CB 4.06Å; M183-C223 VanDerWaalsContact SD-SG 3.64Å; E186-C223 VanDerWaalsContact CB-SG 3.52Å; V219-C223 WeakPolarHBondContact O-CB 3.31Å; V219-C223 PolarHBondContact O-N 3.3Å; V219-C223 PolarHBondContact O-SG 3.49Å; C223-H225 VanDerWaalsContact C-N 3.31Å; C223-H225 PolarHBondContact O-N 3.28Å; C223-L226 PolarHBondContact O-N 3.2Å; C223-Y227 VanDerWaalsContact O-CB 3.27Å; C223-Y227 WeakPolarHBondContact O-CB 3.43Å; C223-Y227 PolarHBondContact O-N 2.99Å; C223-L260 HydrophobicContact CB-CD1 3.55Å; C223-F264 HydrophobicContact CB-CE1 4.12Å; C223-F264 HydrophobicContact CB-CZ 4.11Å |
| 224 | S | 93.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.007 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 178.4 | -158.8 | 0 | 0 | 0 | 0 | 111.5 | I220 Q221 D222 H228 P301 | I220-S224 WeakPolarHBondContact O-CB 3.33Å; I220-S224 PolarHBondContact O-N 2.97Å; I220-S224 VanDerWaalsContact O-N 3.08Å; Q221-S224 PolarHBondContact O-N 3Å; D222-S224 VanDerWaalsContact C-N 3.27Å; D222-S224 PolarHBondContact O-N 3.19Å; S224-H228 PolarHBondContact O-N 2.9Å; S224-P301 WeakPolarHBondContact OG-CB 3.37Å; S224-P301 PolarHBondContact OG-O 3.06Å |
| 225 | H | 94.2 | Very high | 94.6 | Very high | 22 Ų | 22 | 6.6 Ų | 6.6 | 10% | 0.102 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -73.1 | -47.3 | 177.8 | -67.9 | 95.7 | 0 | 0 | 0 | 111.8 | L154 E155 Q221 D222 C223 Y227 H228 Y229 | L154-H225 HydrophobicContact CB-CB 3.78Å; E155-H225 WeakPolarHBondContact CG-NE2 3.39Å; Q221-H225 PolarHBondContact O-ND1 2.99Å; D222-H225 PolarHBondContact O-N 3.42Å; D222-H225 VanDerWaalsContact O-N 3.13Å; C223-H225 VanDerWaalsContact C-N 3.31Å; C223-H225 PolarHBondContact O-N 3.28Å; H225-Y227 VanDerWaalsContact C-N 3.26Å; H225-Y227 PolarHBondContact O-N 3.03Å; H225-H228 WeakPolarHBondContact O-CB 3.44Å; H225-H228 PolarHBondContact O-N 3.38Å; H225-H228 VanDerWaalsContact O-N 3.09Å; H225-Y229 HydrophobicContact CB-CE2 3.91Å; H225-Y229 WeakPolarHBondContact O-CD2 3.31Å; H225-Y229 VanDerWaalsContact O-CG 3.25Å; H225-Y229 PolarHBondContact O-N 2.97Å |
| 226 | L | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.9 | -38.3 | 179.1 | -67.4 | 173.1 | 0 | 0 | 0 | 111.8 | L154 M179 Y182 M183 E186 D222 C223 Y229 T230 | L154-L226 HydrophobicContact CD1-CD1 4.35Å; L154-L226 HydrophobicContact CD1-CD2 3.89Å; L154-L226 HydrophobicContact CD1-CG 3.83Å; L154-L226 HydrophobicContact CD2-CD2 4.3Å; M179-L226 HydrophobicContact SD-CD2 3.44Å; M179-L226 WeakPolarHBondContact SD-CD2 3.4Å; Y182-L226 HydrophobicContact CD1-CD1 4.27Å; Y182-L226 HydrophobicContact CD1-CD2 4Å; Y182-L226 HydrophobicContact CD2-CD1 4.09Å; Y182-L226 HydrophobicContact CE1-CD2 4.49Å; Y182-L226 HydrophobicContact CE2-CD1 4.39Å; Y182-L226 HydrophobicContact CG-CD1 3.96Å; Y182-L226 HydrophobicContact CG-CD2 4.34Å; M183-L226 HydrophobicContact CB-CD1 4.42Å; M183-L226 HydrophobicContact CE-CB 3.39Å; M183-L226 HydrophobicContact SD-CB 4.29Å; E186-L226 HydrophobicContact CG-CD1 4.29Å; D222-L226 WeakPolarHBondContact O-CG 3.49Å; D222-L226 PolarHBondContact O-N 3.4Å; C223-L226 PolarHBondContact O-N 3.2Å; L226-Y229 PolarHBondContact O-N 3.44Å; L226-T230 WeakPolarHBondContact O-CB 3.49Å; L226-T230 VanDerWaalsContact O-CG2 3.25Å; L226-T230 WeakPolarHBondContact O-CG2 3.18Å; L226-T230 PolarHBondContact O-N 2.94Å; L226-T230 PolarHBondContact O-OG1 3.5Å |
| 227 | Y | 95.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 9.2 Ų | 9.2 | 2% | 0.02 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 175.2 | 170.4 | -104.8 | 0 | 0 | 0 | 111.5 | C223 H225 Y229 T230 V231 F253 F257 L260 L282 H298 P301 | C223-Y227 VanDerWaalsContact O-CB 3.27Å; C223-Y227 WeakPolarHBondContact O-CB 3.43Å; C223-Y227 PolarHBondContact O-N 2.99Å; H225-Y227 VanDerWaalsContact C-N 3.26Å; H225-Y227 PolarHBondContact O-N 3.03Å; Y227-Y229 VanDerWaalsContact C-N 3.34Å; Y227-Y229 PolarHBondContact O-N 2.87Å; Y227-T230 WeakPolarHBondContact CA-OG1 3.38Å; Y227-T230 PolarHBondContact O-OG1 2.78Å; Y227-V231 HydrophobicContact CD2-CG2 4.23Å; Y227-V231 HydrophobicContact CE1-CG2 4.37Å; Y227-V231 HydrophobicContact CE2-CG2 3.77Å; Y227-V231 VanDerWaalsContact O-CG2 3.3Å; Y227-V231 WeakPolarHBondContact O-CG2 3.32Å; Y227-V231 PolarHBondContact O-N 3.16Å; Y227-F253 HydrophobicContact CD2-CE2 4.22Å; Y227-F253 HydrophobicContact CD2-CZ 4.21Å; Y227-F253 HydrophobicContact CE2-CE2 4.11Å; Y227-F253 AromaticContact CE2-CZ 3.65Å; Y227-F253 HydrophobicContact CE2-CZ 3.65Å; Y227-F257 AromaticContact CE2-CD2 3.65Å; Y227-F257 HydrophobicContact CE2-CD2 3.65Å; Y227-F257 HydrophobicContact CE2-CE2 4.07Å; Y227-L260 HydrophobicContact CD2-CD2 4.04Å; Y227-L260 HydrophobicContact CG-CD2 3.96Å; Y227-L282 HydrophobicContact CD1-CD2 3.99Å; Y227-L282 HydrophobicContact CE1-CD2 3.77Å; Y227-H298 AromaticContact CE1-CE1 3.55Å; Y227-P301 HydrophobicContact CD1-CG 3.72Å; Y227-P301 HydrophobicContact CE1-CG 4.26Å |
| 228 | H | 93.7 | Very high | 94.1 | Very high | 7 Ų | 7 | 10 Ų | 10 | 3% | 0.032 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 178.1 | -179.7 | 69.1 | 0 | 0 | 0 | 111.9 | D158 S224 H225 V231 K232 H298 K300 | D158-H228 IonicContact OD1-CE1 3.63Å; D158-H228 IonicContact OD1-NE2 2.66Å; D158-H228 PolarHBondContact OD1-NE2 3.41Å; S224-H228 PolarHBondContact O-N 2.9Å; H225-H228 WeakPolarHBondContact O-CB 3.44Å; H225-H228 PolarHBondContact O-N 3.38Å; H225-H228 VanDerWaalsContact O-N 3.09Å; H228-V231 PolarHBondContact O-N 3.06Å; H228-K232 PolarHBondContact O-N 2.92Å; H228-H298 AromaticContact CE1-NE2 3.94Å; H228-H298 AromaticContact ND1-CD2 3.74Å; H228-H298 AromaticContact ND1-NE2 3.14Å; H228-H298 PolarHBondContact ND1-NE2 2.82Å; H228-H298 VanDerWaalsContact ND1-NE2 3.14Å; H228-K300 HydrophobicContact CB-CG 4.29Å |
| 229 | Y | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.3 | -44.9 | -179.8 | -59.4 | -22.6 | 0 | 0 | 0 | 112.5 | L154 V156 L161 M179 H225 L226 Y227 V231 K232 L233 | L154-Y229 HydrophobicContact CB-CE2 4.36Å; L154-Y229 VanDerWaalsContact O-CE2 3.25Å; L154-Y229 WeakPolarHBondContact O-CE2 3.43Å; L154-Y229 VanDerWaalsContact O-CZ 3.24Å; L154-Y229 PolarHBondContact O-OH 3.45Å; V156-Y229 HydrophobicContact CG2-CE1 3.95Å; V156-Y229 HydrophobicContact CG2-CE2 4.12Å; V156-Y229 VanDerWaalsContact CG2-OH 3.23Å; V156-Y229 WeakPolarHBondContact CG2-OH 3.46Å; V156-Y229 PolarHBondContact N-OH 3.12Å; V156-Y229 VanDerWaalsContact N-OH 3.11Å; V156-Y229 PolarHBondContact O-OH 3.37Å; L161-Y229 HydrophobicContact CD1-CD1 4.13Å; L161-Y229 HydrophobicContact CD1-CG 4.04Å; L161-Y229 HydrophobicContact CD2-CD1 3.65Å; L161-Y229 HydrophobicContact CD2-CE1 4.41Å; L161-Y229 HydrophobicContact CD2-CG 4.24Å; L161-Y229 HydrophobicContact CG-CD1 4.37Å; M179-Y229 HydrophobicContact CE-CD2 4.06Å; H225-Y229 HydrophobicContact CB-CE2 3.91Å; H225-Y229 WeakPolarHBondContact O-CD2 3.31Å; H225-Y229 VanDerWaalsContact O-CG 3.25Å; H225-Y229 PolarHBondContact O-N 2.97Å; L226-Y229 PolarHBondContact O-N 3.44Å; Y227-Y229 VanDerWaalsContact C-N 3.34Å; Y227-Y229 PolarHBondContact O-N 2.87Å; Y229-V231 VanDerWaalsContact C-N 3.33Å; Y229-V231 PolarHBondContact O-N 2.91Å; Y229-K232 PolarHBondContact O-N 3.25Å; Y229-L233 WeakPolarHBondContact O-CB 3.47Å; Y229-L233 VanDerWaalsContact O-CG 3.28Å; Y229-L233 WeakPolarHBondContact O-CG 3.45Å; Y229-L233 PolarHBondContact O-N 3.13Å |
| 230 | T | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 177.8 | 49.7 | 0 | 0 | 0 | 0 | 112 | M179 F180 L226 Y227 L234 | M179-T230 HydrophobicContact CB-CG2 3.76Å; F180-T230 HydrophobicContact CD1-CG2 3.63Å; F180-T230 HydrophobicContact CE1-CG2 3.65Å; L226-T230 WeakPolarHBondContact O-CB 3.49Å; L226-T230 VanDerWaalsContact O-CG2 3.25Å; L226-T230 WeakPolarHBondContact O-CG2 3.18Å; L226-T230 PolarHBondContact O-N 2.94Å; L226-T230 PolarHBondContact O-OG1 3.5Å; Y227-T230 WeakPolarHBondContact CA-OG1 3.38Å; Y227-T230 PolarHBondContact O-OG1 2.78Å; T230-L234 WeakPolarHBondContact O-CB 3.42Å; T230-L234 PolarHBondContact O-N 2.87Å |
| 231 | V | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.2 | -50.5 | 172.7 | 171 | 0 | 0 | 0 | 0 | 111 | Y227 H228 Y229 L234 F235 F253 P287 F289 H298 | Y227-V231 HydrophobicContact CD2-CG2 4.23Å; Y227-V231 HydrophobicContact CE1-CG2 4.37Å; Y227-V231 HydrophobicContact CE2-CG2 3.77Å; Y227-V231 VanDerWaalsContact O-CG2 3.3Å; Y227-V231 WeakPolarHBondContact O-CG2 3.32Å; Y227-V231 PolarHBondContact O-N 3.16Å; H228-V231 PolarHBondContact O-N 3.06Å; Y229-V231 VanDerWaalsContact C-N 3.33Å; Y229-V231 PolarHBondContact O-N 2.91Å; V231-L234 PolarHBondContact O-N 3Å; V231-F235 HydrophobicContact CG1-CD2 3.82Å; V231-F235 HydrophobicContact CG1-CE2 3.74Å; V231-F235 VanDerWaalsContact O-CD2 3.24Å; V231-F235 WeakPolarHBondContact O-CD2 3.5Å; V231-F235 PolarHBondContact O-N 3.37Å; V231-F235 VanDerWaalsContact O-N 3.07Å; V231-F253 HydrophobicContact CG2-CE2 3.63Å; V231-F253 HydrophobicContact CG2-CZ 3.52Å; V231-P287 HydrophobicContact CG1-CG 4.23Å; V231-P287 HydrophobicContact CG2-CG 4.2Å; V231-F289 HydrophobicContact CG1-CE1 4.25Å; V231-H298 HydrophobicContact CG1-CB 4.44Å |
| 232 | K | 93.3 | Very high | 92.9 | Very high | 43 Ų | 43 | 22.4 Ų | 22.4 | 19% | 0.187 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.6 | -46.5 | -178.4 | -77.8 | -158.8 | 153.6 | -170.6 | 0 | 113.2 | D158 L161 H228 Y229 L234 F235 K236 L295 | D158-K232 IonicContact OD1-NZ 3.1Å; D158-K232 PolarHBondContact OD1-NZ 2.89Å; D158-K232 IonicContact OD2-NZ 3.41Å; D158-K232 PolarHBondContact OD2-NZ 3.38Å; L161-K232 HydrophobicContact CD2-CB 3.87Å; L161-K232 HydrophobicContact CD2-CD 4.12Å; H228-K232 PolarHBondContact O-N 2.92Å; Y229-K232 PolarHBondContact O-N 3.25Å; K232-L234 VanDerWaalsContact C-N 3.29Å; K232-L234 PolarHBondContact O-N 3.26Å; K232-F235 PolarHBondContact O-N 3.36Å; K232-K236 PolarHBondContact O-N 2.82Å; K232-L295 HydrophobicContact CG-CD1 4.42Å |
| 233 | L | 93.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 178.5 | -67 | 173.6 | 0 | 0 | 0 | 111.4 | L161 A165 I172 L175 T176 M179 Y229 K236 L237 | L161-L233 HydrophobicContact CD1-CD1 4.23Å; L161-L233 HydrophobicContact CD1-CD2 4.14Å; L161-L233 HydrophobicContact CD1-CG 4.19Å; L161-L233 HydrophobicContact CG-CD2 4.4Å; A165-L233 HydrophobicContact CB-CD2 3.57Å; I172-L233 HydrophobicContact CG2-CD2 4.34Å; L175-L233 HydrophobicContact CD2-CD1 4.11Å; L175-L233 HydrophobicContact CD2-CD2 4.27Å; L175-L233 HydrophobicContact CG-CD1 4Å; T176-L233 HydrophobicContact CG2-CB 4.45Å; T176-L233 WeakPolarHBondContact OG1-CB 3.5Å; M179-L233 HydrophobicContact CG-CD1 4.32Å; Y229-L233 WeakPolarHBondContact O-CB 3.47Å; Y229-L233 VanDerWaalsContact O-CG 3.28Å; Y229-L233 WeakPolarHBondContact O-CG 3.45Å; Y229-L233 PolarHBondContact O-N 3.13Å; L233-K236 CarbonylContact O-C 3.59Å; L233-K236 WeakPolarHBondContact O-CB 3.29Å; L233-K236 PolarHBondContact O-N 3.19Å; L233-L237 WeakPolarHBondContact O-CG 3.09Å; L233-L237 PolarHBondContact O-N 3.37Å |
| 234 | L | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.8 | -38.6 | 178.7 | -167.2 | 56.4 | 0 | 0 | 0 | 112.3 | T230 V231 K232 K236 L237 H238 H249 F253 F289 | T230-L234 WeakPolarHBondContact O-CB 3.42Å; T230-L234 PolarHBondContact O-N 2.87Å; V231-L234 PolarHBondContact O-N 3Å; K232-L234 VanDerWaalsContact C-N 3.29Å; K232-L234 PolarHBondContact O-N 3.26Å; L234-K236 VanDerWaalsContact C-N 3.32Å; L234-K236 PolarHBondContact O-N 3.41Å; L234-L237 HydrophobicContact CD1-CD1 4.37Å; L234-L237 PolarHBondContact O-N 2.86Å; L234-H238 PolarHBondContact O-CD2 3.4Å; L234-H238 VanDerWaalsContact O-CD2 3.25Å; L234-H238 PolarHBondContact O-N 2.93Å; L234-H249 HydrophobicContact CD1-CB 3.7Å; L234-F253 HydrophobicContact CD2-CB 4.01Å; L234-F253 HydrophobicContact CD2-CD2 4.37Å; L234-F253 HydrophobicContact CD2-CG 4.1Å; L234-F289 HydrophobicContact CB-CD1 4.13Å; L234-F289 HydrophobicContact CB-CE1 3.96Å; L234-F289 HydrophobicContact CB-CZ 4.47Å; L234-F289 HydrophobicContact CD2-CD1 4.04Å; L234-F289 HydrophobicContact CD2-CD2 3.75Å; L234-F289 HydrophobicContact CD2-CE1 3.84Å; L234-F289 HydrophobicContact CD2-CE2 3.54Å; L234-F289 HydrophobicContact CD2-CG 3.99Å; L234-F289 HydrophobicContact CD2-CZ 3.6Å; L234-F289 HydrophobicContact CG-CD1 3.94Å; L234-F289 HydrophobicContact CG-CD2 4.36Å; L234-F289 HydrophobicContact CG-CE1 4.06Å; L234-F289 HydrophobicContact CG-CE2 4.47Å; L234-F289 HydrophobicContact CG-CG 4.1Å; L234-F289 HydrophobicContact CG-CZ 4.33Å |
| 235 | F | 93.3 | Very high | 91.8 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 169 | -84.5 | -70.3 | 0 | 0 | 0 | 112 | V231 K232 H238 S239 P287 F289 A294 L295 | V231-F235 HydrophobicContact CG1-CD2 3.82Å; V231-F235 HydrophobicContact CG1-CE2 3.74Å; V231-F235 VanDerWaalsContact O-CD2 3.24Å; V231-F235 WeakPolarHBondContact O-CD2 3.5Å; V231-F235 PolarHBondContact O-N 3.37Å; V231-F235 VanDerWaalsContact O-N 3.07Å; K232-F235 PolarHBondContact O-N 3.36Å; F235-H238 PolarHBondContact O-N 3.13Å; F235-S239 PolarHBondContact O-N 2.96Å; F235-P287 HydrophobicContact CE2-CB 4.03Å; F235-P287 HydrophobicContact CZ-CB 4.1Å; F235-F289 HydrophobicContact CD1-CD1 4.16Å; F235-F289 AromaticContact CD2-CD1 3.77Å; F235-F289 HydrophobicContact CD2-CD1 3.77Å; F235-F289 AromaticContact CD2-CE1 3.89Å; F235-F289 HydrophobicContact CD2-CE1 3.89Å; F235-F289 HydrophobicContact CE1-CD1 4.09Å; F235-F289 AromaticContact CE2-CD1 3.7Å; F235-F289 HydrophobicContact CE2-CD1 3.7Å; F235-F289 AromaticContact CE2-CE1 3.76Å; F235-F289 HydrophobicContact CE2-CE1 3.76Å; F235-F289 HydrophobicContact CG-CD1 4.01Å; F235-F289 AromaticContact CZ-CD1 3.86Å; F235-F289 HydrophobicContact CZ-CD1 3.86Å; F235-F289 HydrophobicContact CZ-CE1 4.31Å; F235-A294 HydrophobicContact CE1-CB 4.47Å; F235-A294 HydrophobicContact CZ-CB 4.04Å; F235-L295 HydrophobicContact CB-CD1 4.46Å; F235-L295 HydrophobicContact CB-CD2 4.3Å; F235-L295 HydrophobicContact CD1-CB 4.16Å; F235-L295 HydrophobicContact CD2-CB 3.98Å; F235-L295 HydrophobicContact CD2-CD1 3.55Å; F235-L295 HydrophobicContact CD2-CG 4.24Å; F235-L295 HydrophobicContact CE1-CB 4.14Å; F235-L295 HydrophobicContact CE2-CB 3.96Å; F235-L295 HydrophobicContact CE2-CD1 3.99Å; F235-L295 HydrophobicContact CG-CB 4.08Å; F235-L295 HydrophobicContact CG-CD1 4.13Å; F235-L295 HydrophobicContact CG-CD2 4.42Å; F235-L295 HydrophobicContact CG-CG 4.43Å; F235-L295 HydrophobicContact CZ-CB 4.05Å |
| 236 | K | 90.8 | Very high | 91.8 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 24% | 0.239 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 175.7 | -167 | 174.8 | 178.7 | -179.7 | 0 | 111.7 | E162 G166 I172 K232 L233 L234 H238 S239 C240 | E162-K236 PolarHBondContact O-NZ 3.16Å; G166-K236 PolarHBondContact O-NZ 3.05Å; I172-K236 HydrophobicContact CD1-CD 4.04Å; I172-K236 HydrophobicContact CD1-CG 4.18Å; K232-K236 PolarHBondContact O-N 2.82Å; L233-K236 CarbonylContact O-C 3.59Å; L233-K236 WeakPolarHBondContact O-CB 3.29Å; L233-K236 PolarHBondContact O-N 3.19Å; L234-K236 VanDerWaalsContact C-N 3.32Å; L234-K236 PolarHBondContact O-N 3.41Å; K236-H238 PolarHBondContact O-N 3.08Å; K236-S239 PolarHBondContact O-N 3.33Å; K236-S239 PolarHBondContact O-OG 2.93Å; K236-C240 PolarHBondContact O-N 3.48Å; K236-C240 PolarHBondContact O-SG 3.4Å |
| 237 | L | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 173.3 | -75.7 | 174.8 | 0 | 0 | 0 | 111.7 | I172 F173 T176 L233 L234 S239 C240 L241 L246 | I172-L237 HydrophobicContact CB-CD2 3.95Å; I172-L237 HydrophobicContact CG2-CD2 3.6Å; I172-L237 HydrophobicContact CG2-CG 3.73Å; F173-L237 HydrophobicContact CB-CD2 4.14Å; T176-L237 HydrophobicContact CG2-CD1 4Å; T176-L237 WeakPolarHBondContact OG1-CD1 3.3Å; L233-L237 WeakPolarHBondContact O-CG 3.09Å; L233-L237 PolarHBondContact O-N 3.37Å; L234-L237 HydrophobicContact CD1-CD1 4.37Å; L234-L237 PolarHBondContact O-N 2.86Å; L237-S239 PolarHBondContact O-N 3.29Å; L237-C240 CarbonylContact O-C 3.03Å; L237-C240 PolarHBondContact O-N 3.5Å; L237-L241 HydrophobicContact CD2-CD1 4.19Å; L237-L241 PolarHBondContact O-N 2.78Å; L237-L246 HydrophobicContact CB-CD1 3.71Å; L237-L246 HydrophobicContact CB-CD2 4.05Å; L237-L246 HydrophobicContact CD1-CD2 4.1Å |
| 238 | H | 91.3 | Very high | 91.4 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 15% | 0.148 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -22.3 | 176.1 | -85.4 | -69 | 0 | 0 | 0 | 113.9 | L234 F235 K236 C240 L246 F289 | L234-H238 PolarHBondContact O-CD2 3.4Å; L234-H238 VanDerWaalsContact O-CD2 3.25Å; L234-H238 PolarHBondContact O-N 2.93Å; F235-H238 PolarHBondContact O-N 3.13Å; K236-H238 PolarHBondContact O-N 3.08Å; H238-C240 VanDerWaalsContact C-N 3.31Å; H238-L246 HydrophobicContact CB-CD1 4.37Å; H238-F289 VanDerWaalsContact CD2-CB 3.46Å; H238-F289 WeakPolarHBondContact CD2-CB 3.37Å |
| 239 | S | 89.5 | Confident | 91.4 | Very high | 93 Ų | 93 | 40 Ų | 40 | 65% | 0.65 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -75.7 | -17.9 | 170.1 | 69.4 | 0 | 0 | 0 | 0 | 114 | F235 K236 L237 | F235-S239 PolarHBondContact O-N 2.96Å; K236-S239 PolarHBondContact O-N 3.33Å; K236-S239 PolarHBondContact O-OG 2.93Å; L237-S239 PolarHBondContact O-N 3.29Å |
| 240 | C | 89.6 | Confident | 91.4 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -116.5 | -17.5 | -173.2 | -59.9 | 0 | 0 | 0 | 0 | 114.2 | V169 K236 L237 H238 | V169-C240 HydrophobicContact CG2-CB 3.8Å; K236-C240 PolarHBondContact O-N 3.48Å; K236-C240 PolarHBondContact O-SG 3.4Å; L237-C240 CarbonylContact O-C 3.03Å; L237-C240 PolarHBondContact O-N 3.5Å; H238-C240 VanDerWaalsContact C-N 3.31Å |
| 241 | L | 90.1 | Very high | 91.3 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -132.1 | 149.7 | -175 | -69.8 | 175.3 | 0 | 0 | 0 | 112.5 | V169 F173 L237 L246 | V169-L241 HydrophobicContact CG1-CD1 3.63Å; V169-L241 HydrophobicContact CG1-CD2 3.8Å; V169-L241 HydrophobicContact CG1-CG 3.63Å; F173-L241 HydrophobicContact CD2-CD1 4.33Å; L237-L241 HydrophobicContact CD2-CD1 4.19Å; L237-L241 PolarHBondContact O-N 2.78Å; L241-L246 HydrophobicContact CB-CD1 4.09Å; L241-L246 HydrophobicContact CB-CG 4.26Å; L241-L246 HydrophobicContact CD1-CD2 4.06Å |
| 242 | P | 85.8 | Confident | 91.5 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 53% | 0.526 | 28% | 0.277 | S | S | . | . | trans | -59.7 | 148.1 | 173.7 | -22 | 33.2 | 0 | 0 | 0 | 112.8 | D244 T245 | P242-D244 VanDerWaalsContact C-N 3.25Å; P242-D244 PolarHBondContact O-N 2.71Å; P242-T245 PolarHBondContact O-N 2.89Å | ||
| 243 | A | 85.1 | Confident | 91.6 | Very high | 32 Ų | 32 | 46.8 Ų | 46.8 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -36.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T245 L246 Q247 R250 L290 | A243-T245 VanDerWaalsContact C-N 3.31Å; A243-T245 PolarHBondContact O-N 3.28Å; A243-L246 PolarHBondContact O-N 3.39Å; A243-Q247 PolarHBondContact O-N 2.98Å; A243-R250 PolarHBondContact O-NH2 3.36Å; A243-R250 VanDerWaalsContact O-NH2 3.1Å; A243-L290 HydrophobicContact CB-CD2 3.72Å |
| 244 | D | 87 | Confident | 91.7 | Very high | 143 Ų | 143 | 50.9 Ų | 50.9 | 77% | 0.765 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -33.6 | -177.9 | -60 | -26 | 0 | 0 | 0 | 112 | P242 L246 Q247 | P242-D244 VanDerWaalsContact C-N 3.25Å; P242-D244 PolarHBondContact O-N 2.71Å; D244-L246 VanDerWaalsContact C-N 3.29Å; D244-L246 PolarHBondContact O-N 3.43Å; D244-Q247 PolarHBondContact O-N 3.11Å |
| 245 | T | 90.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -28.7 | 177.7 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | P242 A243 | P242-T245 PolarHBondContact O-N 2.89Å; A243-T245 VanDerWaalsContact C-N 3.31Å; A243-T245 PolarHBondContact O-N 3.28Å |
| 246 | L | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 8.4 | -176.6 | -65.4 | 174.2 | 0 | 0 | 0 | 113.4 | L237 H238 L241 A243 D244 G248 H249 R250 | L237-L246 HydrophobicContact CB-CD1 3.71Å; L237-L246 HydrophobicContact CB-CD2 4.05Å; L237-L246 HydrophobicContact CD1-CD2 4.1Å; H238-L246 HydrophobicContact CB-CD1 4.37Å; L241-L246 HydrophobicContact CB-CD1 4.09Å; L241-L246 HydrophobicContact CB-CG 4.26Å; L241-L246 HydrophobicContact CD1-CD2 4.06Å; A243-L246 PolarHBondContact O-N 3.39Å; D244-L246 VanDerWaalsContact C-N 3.29Å; D244-L246 PolarHBondContact O-N 3.43Å; L246-G248 VanDerWaalsContact C-N 3.34Å; L246-G248 PolarHBondContact O-N 3.33Å; L246-H249 WeakPolarHBondContact O-CB 3.37Å; L246-H249 PolarHBondContact O-N 3.28Å; L246-R250 PolarHBondContact O-N 3.34Å |
| 247 | Q | 90.5 | Very high | 92.1 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52.4 | -50.8 | -179.9 | -175.8 | 56.8 | 38.4 | 0 | 0 | 112 | A243 D244 H249 R250 D251 | A243-Q247 PolarHBondContact O-N 2.98Å; D244-Q247 PolarHBondContact O-N 3.11Å; Q247-H249 VanDerWaalsContact C-N 3.28Å; Q247-H249 PolarHBondContact O-N 2.91Å; Q247-R250 PolarHBondContact O-N 2.88Å; Q247-R250 VanDerWaalsContact O-N 3.13Å; Q247-D251 VanDerWaalsContact NE2-CG 3.29Å; Q247-D251 PolarHBondContact NE2-OD1 3.13Å; Q247-D251 PolarHBondContact NE2-OD2 3.07Å; Q247-D251 VanDerWaalsContact O-CG 3.29Å; Q247-D251 PolarHBondContact O-N 3.08Å |
| 248 | G | 91.8 | Very high | 92.2 | Very high | 47 Ų | 47 | 57.1 Ų | 57.1 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -29.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L246 R252 | L246-G248 VanDerWaalsContact C-N 3.34Å; L246-G248 PolarHBondContact O-N 3.33Å; G248-R252 WeakPolarHBondContact O-CB 3.34Å; G248-R252 PolarHBondContact O-N 3.39Å |
| 249 | H | 94.1 | Very high | 92.4 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.6 | -40.4 | 175.5 | -71.3 | 62.1 | 0 | 0 | 0 | 111.2 | F173 F180 L234 L246 Q247 F253 | F173-H249 AromaticContact CD2-CE1 3.91Å; F173-H249 AromaticContact CD2-NE2 3.93Å; F173-H249 AromaticContact CE1-CE1 3.97Å; F173-H249 AromaticContact CE2-CE1 3.21Å; F173-H249 WeakPolarHBondContact CE2-CE1 3.49Å; F173-H249 AromaticContact CE2-NE2 3.67Å; F173-H249 AromaticContact CZ-CE1 3.26Å; F173-H249 WeakPolarHBondContact CZ-CE1 3.49Å; F173-H249 AromaticContact CZ-NE2 3.8Å; F180-H249 HydrophobicContact CE2-CB 4.16Å; F180-H249 AromaticContact CE2-CD2 3.85Å; L234-H249 HydrophobicContact CD1-CB 3.7Å; L246-H249 WeakPolarHBondContact O-CB 3.37Å; L246-H249 PolarHBondContact O-N 3.28Å; Q247-H249 VanDerWaalsContact C-N 3.28Å; Q247-H249 PolarHBondContact O-N 2.91Å; H249-F253 VanDerWaalsContact O-CB 3.24Å; H249-F253 WeakPolarHBondContact O-CB 3.45Å; H249-F253 PolarHBondContact O-N 3.41Å |
| 250 | R | 94.1 | Very high | 92.7 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 175.7 | -66.8 | -172.5 | -65.5 | -154.6 | -0.5 | 111.5 | A243 L246 Q247 F253 H254 F289 | A243-R250 PolarHBondContact O-NH2 3.36Å; A243-R250 VanDerWaalsContact O-NH2 3.1Å; L246-R250 PolarHBondContact O-N 3.34Å; Q247-R250 PolarHBondContact O-N 2.88Å; Q247-R250 VanDerWaalsContact O-N 3.13Å; R250-F253 PolarHBondContact O-N 2.82Å; R250-H254 VanDerWaalsContact O-CB 3.31Å; R250-H254 WeakPolarHBondContact O-CB 3.31Å; R250-H254 PolarHBondContact O-N 3Å; R250-F289 HydrophobicContact CG-CD2 4.44Å |
| 251 | D | 93.9 | Very high | 92.9 | Very high | 80 Ų | 80 | 54.8 Ų | 54.8 | 43% | 0.428 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 178.6 | -65.3 | -26.3 | 0 | 0 | 0 | 110.7 | Q247 F253 H254 E255 | Q247-D251 VanDerWaalsContact NE2-CG 3.29Å; Q247-D251 PolarHBondContact NE2-OD1 3.13Å; Q247-D251 PolarHBondContact NE2-OD2 3.07Å; Q247-D251 VanDerWaalsContact O-CG 3.29Å; Q247-D251 PolarHBondContact O-N 3.08Å; D251-F253 PolarHBondContact O-N 3.05Å; D251-H254 WeakPolarHBondContact O-CB 3.43Å; D251-H254 PolarHBondContact O-N 3.17Å; D251-H254 VanDerWaalsContact O-N 3.14Å; D251-E255 PolarHBondContact O-N 3.39Å |
| 252 | R | 96.4 | Very high | 93 | Very high | 63 Ų | 63 | 56 Ų | 56 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.2 | -169.6 | 175.5 | -175 | -170.9 | 0.4 | 112.3 | F180 D181 D184 G248 H254 E255 Q256 | F180-R252 VanDerWaalsContact CB-CZ 3.45Å; F180-R252 HydrophobicContact CD2-CG 4.49Å; D181-R252 IonicContact OD1-CZ 3Å; D181-R252 VanDerWaalsContact OD1-CZ 3.27Å; D181-R252 IonicContact OD1-NH1 2.69Å; D181-R252 PolarHBondContact OD1-NH1 3.2Å; D181-R252 IonicContact OD1-NH2 3.53Å; D181-R252 PolarHBondContact OD1-NH2 3.01Å; D184-R252 IonicContact OD2-CZ 3.9Å; D184-R252 VanDerWaalsContact OD2-CZ 3.29Å; D184-R252 IonicContact OD2-NE 3.29Å; D184-R252 PolarHBondContact OD2-NE 2.97Å; D184-R252 VanDerWaalsContact OD2-NE 3.1Å; D184-R252 IonicContact OD2-NH2 2.69Å; D184-R252 PolarHBondContact OD2-NH2 3.4Å; G248-R252 WeakPolarHBondContact O-CB 3.34Å; G248-R252 PolarHBondContact O-N 3.39Å; R252-H254 VanDerWaalsContact C-N 3.29Å; R252-H254 PolarHBondContact O-N 3.04Å; R252-E255 PolarHBondContact O-N 3.36Å; R252-Q256 WeakPolarHBondContact O-CG 3.34Å; R252-Q256 PolarHBondContact O-N 3.27Å |
| 253 | F | 96.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -40 | 174.7 | 178.1 | -87.4 | 0 | 0 | 0 | 111.7 | F180 Y227 V231 L234 H249 R250 D251 Q256 F257 P286 F289 | F180-F253 HydrophobicContact CE1-CB 4.11Å; F180-F253 HydrophobicContact CE1-CD2 4.02Å; F180-F253 HydrophobicContact CZ-CB 3.92Å; F180-F253 HydrophobicContact CZ-CD2 4.38Å; Y227-F253 HydrophobicContact CD2-CE2 4.22Å; Y227-F253 HydrophobicContact CD2-CZ 4.21Å; Y227-F253 HydrophobicContact CE2-CE2 4.11Å; Y227-F253 AromaticContact CE2-CZ 3.65Å; Y227-F253 HydrophobicContact CE2-CZ 3.65Å; V231-F253 HydrophobicContact CG2-CE2 3.63Å; V231-F253 HydrophobicContact CG2-CZ 3.52Å; L234-F253 HydrophobicContact CD2-CB 4.01Å; L234-F253 HydrophobicContact CD2-CD2 4.37Å; L234-F253 HydrophobicContact CD2-CG 4.1Å; H249-F253 VanDerWaalsContact O-CB 3.24Å; H249-F253 WeakPolarHBondContact O-CB 3.45Å; H249-F253 PolarHBondContact O-N 3.41Å; R250-F253 PolarHBondContact O-N 2.82Å; D251-F253 PolarHBondContact O-N 3.05Å; F253-Q256 PolarHBondContact O-N 3.12Å; F253-F257 HydrophobicContact CD1-CB 4.44Å; F253-F257 HydrophobicContact CE1-CB 4.12Å; F253-F257 WeakPolarHBondContact O-CB 3Å; F253-F257 PolarHBondContact O-N 3.35Å; F253-P286 HydrophobicContact CD1-CB 4.45Å; F253-P286 HydrophobicContact CE1-CB 3.86Å; F253-F289 AromaticContact CD1-CE2 3.45Å; F253-F289 HydrophobicContact CD1-CE2 3.45Å; F253-F289 VanDerWaalsContact CD1-CE2 3.45Å; F253-F289 AromaticContact CD1-CZ 3.69Å; F253-F289 HydrophobicContact CD1-CZ 3.69Å; F253-F289 HydrophobicContact CD2-CZ 4.25Å; F253-F289 AromaticContact CE1-CE2 3.55Å; F253-F289 HydrophobicContact CE1-CE2 3.55Å; F253-F289 AromaticContact CE1-CZ 3.45Å; F253-F289 HydrophobicContact CE1-CZ 3.45Å; F253-F289 VanDerWaalsContact CE1-CZ 3.45Å; F253-F289 HydrophobicContact CE2-CZ 4.04Å; F253-F289 HydrophobicContact CG-CE2 4.04Å; F253-F289 HydrophobicContact CG-CZ 4.09Å; F253-F289 HydrophobicContact CZ-CE2 4.22Å; F253-F289 AromaticContact CZ-CZ 3.63Å; F253-F289 HydrophobicContact CZ-CZ 3.63Å |
| 254 | H | 95 | Very high | 93.9 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 41% | 0.407 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 179.7 | -164.3 | 86.7 | 0 | 0 | 0 | 111.5 | R250 D251 R252 F257 H258 P286 | R250-H254 VanDerWaalsContact O-CB 3.31Å; R250-H254 WeakPolarHBondContact O-CB 3.31Å; R250-H254 PolarHBondContact O-N 3Å; D251-H254 WeakPolarHBondContact O-CB 3.43Å; D251-H254 PolarHBondContact O-N 3.17Å; D251-H254 VanDerWaalsContact O-N 3.14Å; R252-H254 VanDerWaalsContact C-N 3.29Å; R252-H254 PolarHBondContact O-N 3.04Å; H254-F257 PolarHBondContact O-N 2.71Å; H254-H258 AromaticContact CD2-CD2 3.45Å; H254-H258 PolarHBondContact CD2-CD2 3.44Å; H254-H258 VanDerWaalsContact CD2-CD2 3.45Å; H254-H258 AromaticContact CD2-NE2 3.43Å; H254-H258 PolarHBondContact CD2-NE2 3.13Å; H254-H258 AromaticContact CE1-NE2 3.4Å; H254-H258 PolarHBondContact CE1-NE2 3.3Å; H254-H258 AromaticContact NE2-CD2 3.46Å; H254-H258 PolarHBondContact NE2-CD2 3.49Å; H254-H258 AromaticContact NE2-NE2 2.89Å; H254-H258 PolarHBondContact NE2-NE2 3.44Å; H254-H258 PolarHBondContact O-CD2 3.3Å; H254-H258 PolarHBondContact O-N 3.13Å; H254-H258 VanDerWaalsContact O-N 3.13Å; H254-P286 WeakPolarHBondContact ND1-CG 3.35Å |
| 255 | E | 95.6 | Very high | 94.1 | Very high | 139 Ų | 139 | 51.7 Ų | 51.7 | 65% | 0.65 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 175.2 | -68.8 | -175.4 | 168.2 | 0 | 0 | 112 | D251 R252 F257 H258 S259 | D251-E255 PolarHBondContact O-N 3.39Å; R252-E255 PolarHBondContact O-N 3.36Å; E255-F257 PolarHBondContact O-N 2.89Å; E255-H258 PolarHBondContact O-N 3.26Å; E255-S259 WeakPolarHBondContact O-CB 3.43Å; E255-S259 PolarHBondContact O-N 3.23Å; E255-S259 PolarHBondContact O-OG 2.8Å |
| 256 | Q | 95.8 | Very high | 94 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 176.6 | -73.4 | -175.5 | -5.5 | 0 | 0 | 112 | F180 M183 D184 L187 R252 F253 S259 L260 | F180-Q256 PolarHBondContact O-NE2 3.49Å; M183-Q256 HydrophobicContact CG-CB 4.39Å; M183-Q256 HydrophobicContact CG-CG 4.29Å; D184-Q256 WeakPolarHBondContact OD1-CG 3.42Å; D184-Q256 PolarHBondContact OD1-NE2 3.44Å; D184-Q256 PolarHBondContact OD2-NE2 2.65Å; L187-Q256 HydrophobicContact CD1-CB 4.12Å; L187-Q256 HydrophobicContact CD1-CG 4.19Å; R252-Q256 WeakPolarHBondContact O-CG 3.34Å; R252-Q256 PolarHBondContact O-N 3.27Å; F253-Q256 PolarHBondContact O-N 3.12Å; Q256-S259 PolarHBondContact O-N 3.43Å; Q256-L260 WeakPolarHBondContact O-CB 3.41Å; Q256-L260 PolarHBondContact O-N 2.87Å |
| 257 | F | 95.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 178.1 | 174.6 | -98.7 | 0 | 0 | 0 | 111.7 | Y227 F253 H254 E255 S259 L260 R261 P283 G285 P286 | Y227-F257 AromaticContact CE2-CD2 3.65Å; Y227-F257 HydrophobicContact CE2-CD2 3.65Å; Y227-F257 HydrophobicContact CE2-CE2 4.07Å; F253-F257 HydrophobicContact CD1-CB 4.44Å; F253-F257 HydrophobicContact CE1-CB 4.12Å; F253-F257 WeakPolarHBondContact O-CB 3Å; F253-F257 PolarHBondContact O-N 3.35Å; H254-F257 PolarHBondContact O-N 2.71Å; E255-F257 PolarHBondContact O-N 2.89Å; F257-S259 VanDerWaalsContact C-N 3.35Å; F257-L260 PolarHBondContact O-N 3.18Å; F257-R261 VanDerWaalsContact O-CB 3.22Å; F257-R261 WeakPolarHBondContact O-CB 3.49Å; F257-R261 PolarHBondContact O-N 3.43Å; F257-P283 WeakPolarHBondContact CZ-O 3.32Å; F257-G285 VanDerWaalsContact CZ-C 3.43Å; F257-G285 WeakPolarHBondContact CZ-O 3.49Å; F257-P286 HydrophobicContact CB-CB 4.41Å; F257-P286 HydrophobicContact CD1-CB 3.76Å; F257-P286 HydrophobicContact CD1-CG 4.07Å; F257-P286 HydrophobicContact CD2-CB 4.31Å; F257-P286 HydrophobicContact CE1-CB 4.06Å; F257-P286 HydrophobicContact CE1-CG 4.3Å; F257-P286 VanDerWaalsContact CE1-N 3.3Å; F257-P286 HydrophobicContact CG-CB 3.88Å; F257-P286 HydrophobicContact CZ-CB 4.43Å |
| 258 | H | 94.8 | Very high | 93.9 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 25% | 0.25 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -39.9 | 178.8 | -75.4 | -59.2 | 0 | 0 | 0 | 112.2 | H254 E255 R261 N262 | H254-H258 AromaticContact CD2-CD2 3.45Å; H254-H258 PolarHBondContact CD2-CD2 3.44Å; H254-H258 VanDerWaalsContact CD2-CD2 3.45Å; H254-H258 AromaticContact CD2-NE2 3.43Å; H254-H258 PolarHBondContact CD2-NE2 3.13Å; H254-H258 AromaticContact CE1-NE2 3.4Å; H254-H258 PolarHBondContact CE1-NE2 3.3Å; H254-H258 AromaticContact NE2-CD2 3.46Å; H254-H258 PolarHBondContact NE2-CD2 3.49Å; H254-H258 AromaticContact NE2-NE2 2.89Å; H254-H258 PolarHBondContact NE2-NE2 3.44Å; H254-H258 PolarHBondContact O-CD2 3.3Å; H254-H258 PolarHBondContact O-N 3.13Å; H254-H258 VanDerWaalsContact O-N 3.13Å; E255-H258 PolarHBondContact O-N 3.26Å; H258-R261 PolarHBondContact ND1-NH2 3.43Å; H258-R261 VanDerWaalsContact ND1-NH2 3.11Å; H258-N262 VanDerWaalsContact O-CB 3.29Å; H258-N262 WeakPolarHBondContact O-CB 3.4Å; H258-N262 VanDerWaalsContact O-CG 3.23Å; H258-N262 PolarHBondContact O-N 2.86Å; H258-N262 PolarHBondContact O-ND2 3.15Å |
| 259 | S | 95.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 43% | 0.427 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 176.6 | -61 | 0 | 0 | 0 | 0 | 111.2 | E255 Q256 F257 N262 F263 | E255-S259 WeakPolarHBondContact O-CB 3.43Å; E255-S259 PolarHBondContact O-N 3.23Å; E255-S259 PolarHBondContact O-OG 2.8Å; Q256-S259 PolarHBondContact O-N 3.43Å; F257-S259 VanDerWaalsContact C-N 3.35Å; S259-N262 PolarHBondContact O-N 2.94Å; S259-F263 WeakPolarHBondContact O-CB 3.21Å; S259-F263 PolarHBondContact O-N 2.79Å |
| 260 | L | 96 | Very high | 93.4 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 177.2 | -178 | 62 | 0 | 0 | 0 | 112.3 | M183 L187 C223 Y227 Q256 F257 N262 F263 F264 L282 | M183-L260 HydrophobicContact CE-CD2 4.21Å; L187-L260 HydrophobicContact CD2-CB 4.01Å; L187-L260 HydrophobicContact CD2-CD1 4Å; C223-L260 HydrophobicContact CB-CD1 3.55Å; Y227-L260 HydrophobicContact CD2-CD2 4.04Å; Y227-L260 HydrophobicContact CG-CD2 3.96Å; Q256-L260 WeakPolarHBondContact O-CB 3.41Å; Q256-L260 PolarHBondContact O-N 2.87Å; F257-L260 PolarHBondContact O-N 3.18Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.36Å; L260-F263 HydrophobicContact CD1-CD1 4.18Å; L260-F263 WeakPolarHBondContact O-CB 3.34Å; L260-F263 PolarHBondContact O-N 2.89Å; L260-F264 HydrophobicContact CD1-CD1 3.73Å; L260-F264 HydrophobicContact CD1-CE1 3.39Å; L260-F264 HydrophobicContact CD1-CE2 4.37Å; L260-F264 HydrophobicContact CD1-CG 4.37Å; L260-F264 HydrophobicContact CD1-CZ 3.75Å; L260-F264 HydrophobicContact CG-CD1 4.47Å; L260-F264 HydrophobicContact CG-CE1 4.39Å; L260-F264 HydrophobicContact CG-CZ 4.49Å; L260-F264 PolarHBondContact O-N 3.21Å; L260-L282 HydrophobicContact CB-CD1 4.36Å; L260-L282 HydrophobicContact CD2-CD1 3.8Å; L260-L282 HydrophobicContact CG-CD1 3.68Å |
| 261 | R | 93.7 | Very high | 92.9 | Very high | 78 Ų | 78 | 55 Ų | 55 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176 | -174.7 | -175 | 66.1 | 160.7 | -0.3 | 111.4 | F257 H258 R265 L282 E284 | F257-R261 VanDerWaalsContact O-CB 3.22Å; F257-R261 WeakPolarHBondContact O-CB 3.49Å; F257-R261 PolarHBondContact O-N 3.43Å; H258-R261 PolarHBondContact ND1-NH2 3.43Å; H258-R261 VanDerWaalsContact ND1-NH2 3.11Å; R261-R265 VanDerWaalsContact O-CB 3.25Å; R261-R265 WeakPolarHBondContact O-CB 3.47Å; R261-R265 PolarHBondContact O-N 2.94Å; R261-L282 HydrophobicContact CB-CD1 4.34Å; R261-L282 HydrophobicContact CG-CB 4.45Å; R261-E284 PolarHBondContact NH1-O 3.45Å |
| 262 | N | 92.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 52 Ų | 52 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.5 | -78.3 | -28.6 | 0 | 0 | 0 | 111.7 | H258 S259 L260 R265 R266 | H258-N262 VanDerWaalsContact O-CB 3.29Å; H258-N262 WeakPolarHBondContact O-CB 3.4Å; H258-N262 VanDerWaalsContact O-CG 3.23Å; H258-N262 PolarHBondContact O-N 2.86Å; H258-N262 PolarHBondContact O-ND2 3.15Å; S259-N262 PolarHBondContact O-N 2.94Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.36Å; N262-R265 PolarHBondContact OD1-NH2 3.44Å; N262-R265 VanDerWaalsContact OD1-NH2 3.15Å; N262-R266 VanDerWaalsContact O-CB 3.25Å; N262-R266 WeakPolarHBondContact O-CB 3.49Å; N262-R266 PolarHBondContact O-N 2.98Å |
| 263 | F | 94.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -57.9 | 174.2 | 170.7 | -151.9 | 0 | 0 | 0 | 111.4 | L187 F194 L216 V219 I220 S259 L260 R265 R266 A267 | L187-F263 HydrophobicContact CD2-CD1 4.24Å; F194-F263 HydrophobicContact CD2-CD2 4.49Å; F194-F263 AromaticContact CE2-CD2 3.37Å; F194-F263 HydrophobicContact CE2-CD2 3.37Å; F194-F263 AromaticContact CE2-CE2 3.6Å; F194-F263 HydrophobicContact CE2-CE2 3.6Å; F194-F263 HydrophobicContact CE2-CG 4.44Å; F194-F263 AromaticContact CZ-CD2 3.9Å; F194-F263 HydrophobicContact CZ-CD2 3.9Å; F194-F263 AromaticContact CZ-CE2 3.87Å; F194-F263 HydrophobicContact CZ-CE2 3.87Å; L216-F263 HydrophobicContact CB-CE2 4.49Å; L216-F263 HydrophobicContact CB-CZ 4.26Å; L216-F263 HydrophobicContact CD1-CE2 4.21Å; V219-F263 HydrophobicContact CB-CE1 4.44Å; V219-F263 HydrophobicContact CB-CZ 4.38Å; V219-F263 HydrophobicContact CG1-CE1 3.67Å; V219-F263 HydrophobicContact CG1-CZ 3.98Å; I220-F263 HydrophobicContact CD1-CE2 4.24Å; I220-F263 HydrophobicContact CD1-CZ 4.02Å; I220-F263 HydrophobicContact CG1-CE1 3.78Å; I220-F263 HydrophobicContact CG1-CE2 4.01Å; I220-F263 HydrophobicContact CG1-CZ 3.37Å; S259-F263 WeakPolarHBondContact O-CB 3.21Å; S259-F263 PolarHBondContact O-N 2.79Å; L260-F263 HydrophobicContact CD1-CD1 4.18Å; L260-F263 WeakPolarHBondContact O-CB 3.34Å; L260-F263 PolarHBondContact O-N 2.89Å; F263-R265 VanDerWaalsContact C-N 3.32Å; F263-R265 PolarHBondContact O-N 2.98Å; F263-R266 PolarHBondContact O-N 3.37Å; F263-R266 VanDerWaalsContact O-N 3.15Å; F263-A267 HydrophobicContact CD2-CB 4.16Å; F263-A267 HydrophobicContact CE2-CB 4.05Å; F263-A267 WeakPolarHBondContact O-CB 3.39Å; F263-A267 PolarHBondContact O-N 3.11Å |
| 264 | F | 94.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | -176.9 | -81.6 | 18.1 | 0 | 0 | 0 | 111.8 | I220 C223 L260 A267 S268 I279 P280 L282 | I220-F264 HydrophobicContact CB-CE1 4.27Å; I220-F264 HydrophobicContact CG1-CD1 4.49Å; I220-F264 HydrophobicContact CG1-CE1 4.14Å; I220-F264 HydrophobicContact CG2-CE1 3.98Å; I220-F264 HydrophobicContact CG2-CZ 4.11Å; C223-F264 HydrophobicContact CB-CE1 4.12Å; C223-F264 HydrophobicContact CB-CZ 4.11Å; L260-F264 HydrophobicContact CD1-CD1 3.73Å; L260-F264 HydrophobicContact CD1-CE1 3.39Å; L260-F264 HydrophobicContact CD1-CE2 4.37Å; L260-F264 HydrophobicContact CD1-CG 4.37Å; L260-F264 HydrophobicContact CD1-CZ 3.75Å; L260-F264 HydrophobicContact CG-CD1 4.47Å; L260-F264 HydrophobicContact CG-CE1 4.39Å; L260-F264 HydrophobicContact CG-CZ 4.49Å; L260-F264 PolarHBondContact O-N 3.21Å; F264-A267 PolarHBondContact O-N 3.49Å; F264-S268 WeakPolarHBondContact O-CB 3.38Å; F264-S268 PolarHBondContact O-N 3.27Å; F264-S268 PolarHBondContact O-OG 3.39Å; F264-I279 HydrophobicContact CB-CG2 3.97Å; F264-I279 HydrophobicContact CD1-CG2 4.37Å; F264-I279 HydrophobicContact CD2-CG2 3.99Å; F264-I279 HydrophobicContact CG-CG2 3.87Å; F264-P280 HydrophobicContact CD2-CG 4.48Å; F264-P280 HydrophobicContact CE2-CG 4.15Å; F264-L282 HydrophobicContact CD2-CD1 4.06Å; F264-L282 HydrophobicContact CD2-CG 4.01Å |
| 265 | R | 91.1 | Very high | 91.4 | Very high | 155 Ų | 155 | 58.3 Ų | 58.3 | 59% | 0.585 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.5 | -54.7 | 173.6 | -176.6 | 178.6 | 62.8 | 170.1 | -2.8 | 111 | R261 N262 F263 A267 S268 D269 | R261-R265 VanDerWaalsContact O-CB 3.25Å; R261-R265 WeakPolarHBondContact O-CB 3.47Å; R261-R265 PolarHBondContact O-N 2.94Å; N262-R265 PolarHBondContact OD1-NH2 3.44Å; N262-R265 VanDerWaalsContact OD1-NH2 3.15Å; F263-R265 VanDerWaalsContact C-N 3.32Å; F263-R265 PolarHBondContact O-N 2.98Å; R265-A267 VanDerWaalsContact C-N 3.33Å; R265-A267 PolarHBondContact O-N 2.97Å; R265-S268 PolarHBondContact O-N 3.03Å; R265-S268 PolarHBondContact O-OG 3.01Å; R265-D269 PolarHBondContact O-N 2.93Å; R265-D269 VanDerWaalsContact O-N 3.13Å |
| 266 | R | 89.9 | Confident | 90.9 | Very high | 99 Ų | 99 | 55 Ų | 55 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | -177.6 | -170.7 | 177 | 179.9 | -178.8 | -6.7 | 112.3 | F194 N262 F263 M270 | F194-R266 HydrophobicContact CE1-CG 4.48Å; F194-R266 PolarHBondContact O-NH2 3.45Å; N262-R266 VanDerWaalsContact O-CB 3.25Å; N262-R266 WeakPolarHBondContact O-CB 3.49Å; N262-R266 PolarHBondContact O-N 2.98Å; F263-R266 PolarHBondContact O-N 3.37Å; F263-R266 VanDerWaalsContact O-N 3.15Å; R266-M270 HydrophobicContact CG-CE 4.22Å; R266-M270 WeakPolarHBondContact O-CG 3.41Å |
| 267 | A | 91 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.2 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F194 I220 F263 F264 R265 D269 M270 F273 I279 | F194-A267 HydrophobicContact CZ-CB 4.47Å; I220-A267 HydrophobicContact CD1-CB 4.03Å; F263-A267 HydrophobicContact CD2-CB 4.16Å; F263-A267 HydrophobicContact CE2-CB 4.05Å; F263-A267 WeakPolarHBondContact O-CB 3.39Å; F263-A267 PolarHBondContact O-N 3.11Å; F264-A267 PolarHBondContact O-N 3.49Å; R265-A267 VanDerWaalsContact C-N 3.33Å; R265-A267 PolarHBondContact O-N 2.97Å; A267-D269 PolarHBondContact O-N 3.42Å; A267-M270 WeakPolarHBondContact O-CB 3.49Å; A267-M270 PolarHBondContact O-N 2.73Å; A267-F273 HydrophobicContact CB-CD2 3.82Å; A267-F273 HydrophobicContact CB-CE2 3.97Å; A267-F273 WeakPolarHBondContact O-CD2 3.43Å; A267-I279 HydrophobicContact CB-CD1 3.59Å |
| 268 | S | 89.8 | Confident | 90.3 | Very high | 31 Ų | 31 | 61 Ų | 61 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -26 | 179.6 | 74.1 | 0 | 0 | 0 | 0 | 113.2 | F264 R265 K274 | F264-S268 WeakPolarHBondContact O-CB 3.38Å; F264-S268 PolarHBondContact O-N 3.27Å; F264-S268 PolarHBondContact O-OG 3.39Å; R265-S268 PolarHBondContact O-N 3.03Å; R265-S268 PolarHBondContact O-OG 3.01Å; S268-K274 WeakPolarHBondContact O-CE 3.41Å; S268-K274 WeakPolarHBondContact O-CG 3.39Å |
| 269 | D | 87.1 | Confident | 90 | Very high | 105 Ų | 105 | 59.3 Ų | 59.3 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -18.5 | 176.3 | -69.8 | -31.4 | 0 | 0 | 0 | 113.1 | R265 A267 | R265-D269 PolarHBondContact O-N 2.93Å; R265-D269 VanDerWaalsContact O-N 3.13Å; A267-D269 PolarHBondContact O-N 3.42Å |
| 270 | M | 87.9 | Confident | 89.4 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 16% | 0.158 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -81.1 | 130 | -179.4 | -65.3 | -176.7 | 177.7 | 0 | 0 | 112.1 | F194 L213 R266 A267 Y272 F273 K274 | F194-M270 HydrophobicContact CD1-CE 3.85Å; F194-M270 HydrophobicContact CE1-CE 3.41Å; F194-M270 VanDerWaalsContact CE1-CE 3.41Å; F194-M270 HydrophobicContact CE1-SD 3.89Å; F194-M270 HydrophobicContact CZ-CE 4.47Å; L213-M270 HydrophobicContact CD1-SD 4.19Å; L213-M270 HydrophobicContact CD2-SD 3.93Å; R266-M270 HydrophobicContact CG-CE 4.22Å; R266-M270 WeakPolarHBondContact O-CG 3.41Å; A267-M270 WeakPolarHBondContact O-CB 3.49Å; A267-M270 PolarHBondContact O-N 2.73Å; M270-Y272 PolarHBondContact O-N 2.84Å; M270-F273 HydrophobicContact CB-CD2 3.99Å; M270-F273 PolarHBondContact O-N 2.83Å; M270-F273 HydrophobicContact SD-CD2 4.37Å; M270-F273 HydrophobicContact SD-CE2 4.02Å; M270-K274 PolarHBondContact O-N 3.43Å |
| 271 | L | 83.4 | Confident | 88.8 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 37% | 0.372 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -27.8 | -178.9 | -175.1 | 62.3 | 0 | 0 | 0 | 113.4 | Q205 R275 | Q205-L271 HydrophobicContact CG-CD2 4.35Å; L271-R275 WeakPolarHBondContact O-CG 3.28Å; L271-R275 PolarHBondContact O-N 3.2Å |
| 272 | Y | 87.8 | Confident | 88.5 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 7% | 0.071 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -52.2 | 175.2 | 178.7 | -110.8 | 0 | 0 | 0 | 111.9 | Q210 L213 A214 I217 M270 L276 | Q210-Y272 HydrophobicContact CB-CD2 4.21Å; Q210-Y272 HydrophobicContact CB-CE2 3.85Å; Q210-Y272 HydrophobicContact CG-CD2 3.52Å; Q210-Y272 HydrophobicContact CG-CE2 3.65Å; Q210-Y272 HydrophobicContact CG-CG 4.24Å; L213-Y272 HydrophobicContact CB-CD1 3.73Å; L213-Y272 HydrophobicContact CB-CE1 3.8Å; L213-Y272 HydrophobicContact CD1-CD1 4.19Å; L213-Y272 HydrophobicContact CD1-CG 4.46Å; A214-Y272 WeakPolarHBondContact CA-OH 3.44Å; A214-Y272 VanDerWaalsContact CB-OH 3.3Å; A214-Y272 WeakPolarHBondContact CB-OH 3.38Å; I217-Y272 HydrophobicContact CD1-CE1 4.37Å; M270-Y272 PolarHBondContact O-N 2.84Å; Y272-L276 HydrophobicContact CD1-CD1 4.47Å; Y272-L276 HydrophobicContact CD2-CD1 4.07Å; Y272-L276 HydrophobicContact CE1-CD1 3.96Å; Y272-L276 HydrophobicContact CE2-CD1 3.52Å; Y272-L276 VanDerWaalsContact CZ-CD1 3.44Å |
| 273 | F | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.7 | -40.1 | 179.5 | -62.1 | -64.5 | 0 | 0 | 0 | 111.9 | L213 L216 I217 I220 A267 M270 R275 L276 I277 I279 | L213-F273 HydrophobicContact CB-CZ 3.97Å; L213-F273 HydrophobicContact CD2-CE2 3.89Å; L213-F273 HydrophobicContact CD2-CZ 3.9Å; L213-F273 HydrophobicContact CG-CZ 4.47Å; L216-F273 HydrophobicContact CB-CE1 4.18Å; L216-F273 HydrophobicContact CB-CZ 3.85Å; L216-F273 HydrophobicContact CD1-CZ 4.27Å; I217-F273 HydrophobicContact CG1-CD1 3.94Å; I217-F273 HydrophobicContact CG1-CE1 3.8Å; I220-F273 HydrophobicContact CD1-CD1 4.24Å; I220-F273 HydrophobicContact CD1-CE1 4.22Å; A267-F273 HydrophobicContact CB-CD2 3.82Å; A267-F273 HydrophobicContact CB-CE2 3.97Å; A267-F273 WeakPolarHBondContact O-CD2 3.43Å; M270-F273 HydrophobicContact CB-CD2 3.99Å; M270-F273 PolarHBondContact O-N 2.83Å; M270-F273 HydrophobicContact SD-CD2 4.37Å; M270-F273 HydrophobicContact SD-CE2 4.02Å; F273-R275 PolarHBondContact O-N 3.3Å; F273-L276 PolarHBondContact O-N 2.93Å; F273-I277 HydrophobicContact CB-CG1 4.12Å; F273-I277 HydrophobicContact CD1-CD1 4.09Å; F273-I277 HydrophobicContact CD1-CG1 4.37Å; F273-I277 PolarHBondContact O-N 3.15Å; F273-I279 HydrophobicContact CB-CD1 3.86Å; F273-I279 HydrophobicContact CG-CD1 4.24Å |
| 274 | K | 87.1 | Confident | 87.5 | Confident | 130 Ų | 130 | 74.7 Ų | 74.7 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -53.3 | -29.2 | 177.8 | -73 | -174.6 | -177.4 | -179.1 | 0 | 114.2 | S268 M270 | S268-K274 WeakPolarHBondContact O-CE 3.41Å; S268-K274 WeakPolarHBondContact O-CG 3.39Å; M270-K274 PolarHBondContact O-N 3.43Å |
| 275 | R | 85 | Confident | 86.9 | Confident | 158 Ų | 158 | 76.2 Ų | 76.2 | 60% | 0.596 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -83.5 | -23.9 | 178.5 | -72.3 | 179 | 178.3 | 160.6 | 2 | 113.6 | L271 F273 | L271-R275 WeakPolarHBondContact O-CG 3.28Å; L271-R275 PolarHBondContact O-N 3.2Å; F273-R275 PolarHBondContact O-N 3.3Å |
| 276 | L | 85.3 | Confident | 86.7 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 37% | 0.366 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -109.4 | -33.6 | -170.1 | -64.7 | 175.4 | 0 | 0 | 0 | 113.1 | I217 Y272 F273 P306 | I217-L276 HydrophobicContact CD1-CB 4.38Å; I217-L276 HydrophobicContact CD1-CD1 3.86Å; Y272-L276 HydrophobicContact CD1-CD1 4.47Å; Y272-L276 HydrophobicContact CD2-CD1 4.07Å; Y272-L276 HydrophobicContact CE1-CD1 3.96Å; Y272-L276 HydrophobicContact CE2-CD1 3.52Å; Y272-L276 VanDerWaalsContact CZ-CD1 3.44Å; F273-L276 PolarHBondContact O-N 2.93Å; L276-P306 WeakPolarHBondContact O-CD 3.21Å |
| 277 | I | 89.3 | Confident | 86.7 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | trans | -145.8 | 147.6 | -176.6 | 59.9 | 172.7 | 0 | 0 | 0 | 111.5 | I217 I220 F273 I279 V303 I305 | I217-I277 HydrophobicContact CG1-CD1 4.36Å; I217-I277 HydrophobicContact CG2-CD1 4.38Å; I217-I277 HydrophobicContact CG2-CG2 3.96Å; I220-I277 HydrophobicContact CB-CD1 4.4Å; I220-I277 HydrophobicContact CD1-CD1 3.8Å; I220-I277 HydrophobicContact CG2-CD1 4.14Å; F273-I277 HydrophobicContact CB-CG1 4.12Å; F273-I277 HydrophobicContact CD1-CD1 4.09Å; F273-I277 HydrophobicContact CD1-CG1 4.37Å; F273-I277 PolarHBondContact O-N 3.15Å; I277-I279 HydrophobicContact CD1-CD1 4.09Å; I277-I279 HydrophobicContact CD1-CG1 3.78Å; I277-I279 HydrophobicContact CG1-CD1 4.39Å; I277-I279 HydrophobicContact CG1-CG1 3.93Å; I277-V303 HydrophobicContact CB-CG1 4.26Å; I277-V303 HydrophobicContact CD1-CG1 4.44Å; I277-I305 HydrophobicContact CG2-CG1 3.93Å | ||
| 278 | Q | 88.7 | Confident | 86.4 | Confident | 130 Ų | 130 | 71.4 Ų | 71.4 | 61% | 0.607 | 35% | 0.352 | S | S | * | . | B | Isolated β-bridge | trans | -93 | 110.4 | 166.9 | -169.2 | 176 | 8.9 | 0 | 0 | 109.4 | V303 V304 | Q278-V303 WeakPolarHBondContact O-CA 3.41Å; Q278-V304 HydrophobicContact CB-CB 4.09Å; Q278-V304 PolarHBondContact N-O 3.47Å; Q278-V304 PolarHBondContact O-N 3.17Å |
| 279 | I | 89.7 | Confident | 86.4 | Confident | 19 Ų | 19 | 70.6 Ų | 70.6 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 124.7 | -179.8 | -55.8 | 177 | 0 | 0 | 0 | 109.3 | I220 F264 A267 F273 I277 | I220-I279 HydrophobicContact CD1-CD1 3.72Å; I220-I279 HydrophobicContact CD1-CG1 4.39Å; I220-I279 HydrophobicContact CG2-CG1 4.31Å; I220-I279 HydrophobicContact CG2-CG2 4.37Å; F264-I279 HydrophobicContact CB-CG2 3.97Å; F264-I279 HydrophobicContact CD1-CG2 4.37Å; F264-I279 HydrophobicContact CD2-CG2 3.99Å; F264-I279 HydrophobicContact CG-CG2 3.87Å; A267-I279 HydrophobicContact CB-CD1 3.59Å; F273-I279 HydrophobicContact CB-CD1 3.86Å; F273-I279 HydrophobicContact CG-CD1 4.24Å; I277-I279 HydrophobicContact CD1-CD1 4.09Å; I277-I279 HydrophobicContact CD1-CG1 3.78Å; I277-I279 HydrophobicContact CG1-CD1 4.39Å; I277-I279 HydrophobicContact CG1-CG1 3.93Å |
| 280 | P | 83.7 | Confident | 86.3 | Confident | 23 Ų | 23 | 71 Ų | 71 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 145.6 | 179.5 | 27.3 | -32.8 | 0 | 0 | 0 | 111.6 | F264 P301 V303 | F264-P280 HydrophobicContact CD2-CG 4.48Å; F264-P280 HydrophobicContact CE2-CG 4.15Å; P280-P301 HydrophobicContact CB-CB 3.83Å; P280-P301 HydrophobicContact CG-CB 3.61Å; P280-V303 HydrophobicContact CG-CG2 4.12Å |
| 281 | R | 83.1 | Confident | 86.1 | Confident | 239 Ų | 239 | 76 Ų | 76 | 90% | 0.902 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 125.3 | 173.1 | -70 | -173.8 | 176.9 | -175.6 | -0.3 | 109.9 | ||
| 282 | L | 87 | Confident | 85.6 | Confident | 25 Ų | 25 | 76.6 Ų | 76.6 | 13% | 0.131 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 154.6 | 172.5 | -66.2 | 179.5 | 0 | 0 | 0 | 111.3 | Y227 L260 R261 F264 P301 | Y227-L282 HydrophobicContact CD1-CD2 3.99Å; Y227-L282 HydrophobicContact CE1-CD2 3.77Å; L260-L282 HydrophobicContact CB-CD1 4.36Å; L260-L282 HydrophobicContact CD2-CD1 3.8Å; L260-L282 HydrophobicContact CG-CD1 3.68Å; R261-L282 HydrophobicContact CB-CD1 4.34Å; R261-L282 HydrophobicContact CG-CB 4.45Å; F264-L282 HydrophobicContact CD2-CD1 4.06Å; F264-L282 HydrophobicContact CD2-CG 4.01Å; L282-P301 HydrophobicContact CD2-CB 4.3Å; L282-P301 HydrophobicContact CD2-CG 4.28Å |
| 283 | P | 86.4 | Confident | 84.7 | Confident | 69 Ų | 69 | 78.4 Ų | 78.4 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 161.9 | 177.5 | -23.2 | 33.5 | 0 | 0 | 0 | 113.8 | F257 G285 | F257-P283 WeakPolarHBondContact CZ-O 3.32Å; P283-G285 VanDerWaalsContact C-N 3.3Å; P283-G285 PolarHBondContact O-N 3.49Å |
| 284 | E | 79.9 | Confident | 83.9 | Confident | 184 Ų | 184 | 78.8 Ų | 78.8 | 86% | 0.86 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -65.5 | -31.2 | 178.9 | -69.6 | -166.8 | 164.3 | 0 | 0 | 113.2 | R261 | R261-E284 PolarHBondContact NH1-O 3.45Š|
| 285 | G | 81.4 | Confident | 83.5 | Confident | 37 Ų | 37 | 75.8 Ų | 75.8 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -133.9 | 158.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F257 P283 | F257-G285 VanDerWaalsContact CZ-C 3.43Å; F257-G285 WeakPolarHBondContact CZ-O 3.49Å; P283-G285 VanDerWaalsContact C-N 3.3Å; P283-G285 PolarHBondContact O-N 3.49Å |
| 286 | P | 88 | Confident | 82.7 | Confident | 39 Ų | 39 | 72.9 Ų | 72.9 | 25% | 0.253 | 40% | 0.397 | S | S | . | . | trans | -66.5 | 152.1 | 176.4 | 26.1 | -30.5 | 0 | 0 | 0 | 111 | F253 H254 F257 | F253-P286 HydrophobicContact CD1-CB 4.45Å; F253-P286 HydrophobicContact CE1-CB 3.86Å; H254-P286 WeakPolarHBondContact ND1-CG 3.35Å; F257-P286 HydrophobicContact CB-CB 4.41Å; F257-P286 HydrophobicContact CD1-CB 3.76Å; F257-P286 HydrophobicContact CD1-CG 4.07Å; F257-P286 HydrophobicContact CD2-CB 4.31Å; F257-P286 HydrophobicContact CE1-CB 4.06Å; F257-P286 HydrophobicContact CE1-CG 4.3Å; F257-P286 VanDerWaalsContact CE1-N 3.3Å; F257-P286 HydrophobicContact CG-CB 3.88Å; F257-P286 HydrophobicContact CZ-CB 4.43Å | ||
| 287 | P | 88.2 | Confident | 82.2 | Confident | 24 Ų | 24 | 75.6 Ų | 75.6 | 16% | 0.156 | 41% | 0.408 | C | S | . | . | trans | -55.9 | 142.6 | 175 | -24.3 | 34 | 0 | 0 | 0 | 112.3 | V231 F235 F289 | V231-P287 HydrophobicContact CG1-CG 4.23Å; V231-P287 HydrophobicContact CG2-CG 4.2Å; F235-P287 HydrophobicContact CE2-CB 4.03Å; F235-P287 HydrophobicContact CZ-CB 4.1Å; P287-F289 HydrophobicContact CB-CE1 4.25Å; P287-F289 HydrophobicContact CB-CZ 4.22Å; P287-F289 HydrophobicContact CG-CZ 4.48Å; P287-F289 WeakPolarHBondContact O-CD2 3.4Å; P287-F289 WeakPolarHBondContact O-CE2 3.48Å; P287-F289 PolarHBondContact O-N 2.83Å | ||
| 288 | N | 86.1 | Confident | 81.9 | Confident | 89 Ų | 89 | 76.7 Ų | 76.7 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | trans | -84.2 | 97.3 | 174.2 | -173.6 | -12.6 | 0 | 0 | 0 | 110.5 | L290 R291 A294 | N288-L290 PolarHBondContact O-N 3.25Å; N288-L290 VanDerWaalsContact O-N 3.16Å; N288-L290 WeakPolarHBondContact OD1-CB 3.26Å; N288-L290 PolarHBondContact OD1-N 3.23Å; N288-R291 HydrophobicContact CB-CB 4.43Å; N288-R291 PolarHBondContact O-N 3.32Å; N288-A294 HydrophobicContact CB-CB 4.46Å | ||
| 289 | F | 89.2 | Confident | 81.3 | Confident | 14 Ų | 14 | 77.4 Ų | 77.4 | 6% | 0.061 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.4 | -178.3 | -58.2 | -71.5 | 0 | 0 | 0 | 115.2 | V231 L234 F235 H238 R250 F253 P287 R291 | V231-F289 HydrophobicContact CG1-CE1 4.25Å; L234-F289 HydrophobicContact CB-CD1 4.13Å; L234-F289 HydrophobicContact CB-CE1 3.96Å; L234-F289 HydrophobicContact CB-CZ 4.47Å; L234-F289 HydrophobicContact CD2-CD1 4.04Å; L234-F289 HydrophobicContact CD2-CD2 3.75Å; L234-F289 HydrophobicContact CD2-CE1 3.84Å; L234-F289 HydrophobicContact CD2-CE2 3.54Å; L234-F289 HydrophobicContact CD2-CG 3.99Å; L234-F289 HydrophobicContact CD2-CZ 3.6Å; L234-F289 HydrophobicContact CG-CD1 3.94Å; L234-F289 HydrophobicContact CG-CD2 4.36Å; L234-F289 HydrophobicContact CG-CE1 4.06Å; L234-F289 HydrophobicContact CG-CE2 4.47Å; L234-F289 HydrophobicContact CG-CG 4.1Å; L234-F289 HydrophobicContact CG-CZ 4.33Å; F235-F289 HydrophobicContact CD1-CD1 4.16Å; F235-F289 AromaticContact CD2-CD1 3.77Å; F235-F289 HydrophobicContact CD2-CD1 3.77Å; F235-F289 AromaticContact CD2-CE1 3.89Å; F235-F289 HydrophobicContact CD2-CE1 3.89Å; F235-F289 HydrophobicContact CE1-CD1 4.09Å; F235-F289 AromaticContact CE2-CD1 3.7Å; F235-F289 HydrophobicContact CE2-CD1 3.7Å; F235-F289 AromaticContact CE2-CE1 3.76Å; F235-F289 HydrophobicContact CE2-CE1 3.76Å; F235-F289 HydrophobicContact CG-CD1 4.01Å; F235-F289 AromaticContact CZ-CD1 3.86Å; F235-F289 HydrophobicContact CZ-CD1 3.86Å; F235-F289 HydrophobicContact CZ-CE1 4.31Å; H238-F289 VanDerWaalsContact CD2-CB 3.46Å; H238-F289 WeakPolarHBondContact CD2-CB 3.37Å; R250-F289 HydrophobicContact CG-CD2 4.44Å; F253-F289 AromaticContact CD1-CE2 3.45Å; F253-F289 HydrophobicContact CD1-CE2 3.45Å; F253-F289 VanDerWaalsContact CD1-CE2 3.45Å; F253-F289 AromaticContact CD1-CZ 3.69Å; F253-F289 HydrophobicContact CD1-CZ 3.69Å; F253-F289 HydrophobicContact CD2-CZ 4.25Å; F253-F289 AromaticContact CE1-CE2 3.55Å; F253-F289 HydrophobicContact CE1-CE2 3.55Å; F253-F289 AromaticContact CE1-CZ 3.45Å; F253-F289 HydrophobicContact CE1-CZ 3.45Å; F253-F289 VanDerWaalsContact CE1-CZ 3.45Å; F253-F289 HydrophobicContact CE2-CZ 4.04Å; F253-F289 HydrophobicContact CG-CE2 4.04Å; F253-F289 HydrophobicContact CG-CZ 4.09Å; F253-F289 HydrophobicContact CZ-CE2 4.22Å; F253-F289 AromaticContact CZ-CZ 3.63Å; F253-F289 HydrophobicContact CZ-CZ 3.63Å; P287-F289 HydrophobicContact CB-CE1 4.25Å; P287-F289 HydrophobicContact CB-CZ 4.22Å; P287-F289 HydrophobicContact CG-CZ 4.48Å; P287-F289 WeakPolarHBondContact O-CD2 3.4Å; P287-F289 WeakPolarHBondContact O-CE2 3.48Å; P287-F289 PolarHBondContact O-N 2.83Å; F289-R291 VanDerWaalsContact C-N 3.28Å |
| 290 | L | 85 | Confident | 80.8 | Confident | 114 Ų | 114 | 80 Ų | 80 | 60% | 0.597 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -11.7 | 173.8 | -66.4 | 178.1 | 0 | 0 | 0 | 112.9 | A243 N288 | A243-L290 HydrophobicContact CB-CD2 3.72Å; N288-L290 PolarHBondContact O-N 3.25Å; N288-L290 VanDerWaalsContact O-N 3.16Å; N288-L290 WeakPolarHBondContact OD1-CB 3.26Å; N288-L290 PolarHBondContact OD1-N 3.23Å |
| 291 | R | 82.6 | Confident | 80.3 | Confident | 136 Ų | 136 | 79.5 Ų | 79.5 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | trans | -115.2 | 101.6 | -179.2 | -175.8 | 179.1 | 174 | -155 | -8.9 | 109 | N288 F289 S293 A294 | N288-R291 HydrophobicContact CB-CB 4.43Å; N288-R291 PolarHBondContact O-N 3.32Å; F289-R291 VanDerWaalsContact C-N 3.28Å; R291-S293 WeakPolarHBondContact CG-OG 3.49Å; R291-S293 PolarHBondContact NE-OG 3.43Å; R291-S293 PolarHBondContact NH2-OG 2.95Å; R291-S293 PolarHBondContact O-N 3.44Å; R291-S293 VanDerWaalsContact O-N 3.07Å; R291-A294 HydrophobicContact CB-CB 4.38Å; R291-A294 WeakPolarHBondContact O-CB 3.3Å; R291-A294 PolarHBondContact O-N 3.13Å | ||
| 292 | A | 73.5 | Confident | 79.7 | Confident | 85 Ų | 85 | 72.5 Ų | 72.5 | 70% | 0.702 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -54 | -32.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A294 L295 | A292-A294 PolarHBondContact O-N 3.45Å; A292-L295 WeakPolarHBondContact O-CB 3.29Å; A292-L295 PolarHBondContact O-N 2.99Å |
| 293 | S | 70.1 | Confident | 78.9 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -67.1 | -18.4 | 176.5 | 73.3 | 0 | 0 | 0 | 0 | 114 | R291 L295 A296 | R291-S293 WeakPolarHBondContact CG-OG 3.49Å; R291-S293 PolarHBondContact NE-OG 3.43Å; R291-S293 PolarHBondContact NH2-OG 2.95Å; R291-S293 PolarHBondContact O-N 3.44Å; R291-S293 VanDerWaalsContact O-N 3.07Å; S293-L295 PolarHBondContact O-N 3.1Å; S293-A296 WeakPolarHBondContact O-CB 3.4Å; S293-A296 PolarHBondContact O-N 2.6Å; S293-A296 VanDerWaalsContact O-N 3.15Å |
| 294 | A | 73.8 | Confident | 78.4 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 7% | 0.066 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -69.1 | -17.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F235 N288 R291 A292 A296 E297 | F235-A294 HydrophobicContact CE1-CB 4.47Å; F235-A294 HydrophobicContact CZ-CB 4.04Å; N288-A294 HydrophobicContact CB-CB 4.46Å; R291-A294 HydrophobicContact CB-CB 4.38Å; R291-A294 WeakPolarHBondContact O-CB 3.3Å; R291-A294 PolarHBondContact O-N 3.13Å; A292-A294 PolarHBondContact O-N 3.45Å; A294-A296 VanDerWaalsContact C-N 3.3Å; A294-E297 PolarHBondContact O-N 3.14Å |
| 295 | L | 76.7 | Confident | 78 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -67.1 | -32.5 | 170.7 | 179.3 | 62.5 | 0 | 0 | 0 | 111.7 | K232 F235 A292 S293 E297 H298 | K232-L295 HydrophobicContact CG-CD1 4.42Å; F235-L295 HydrophobicContact CB-CD1 4.46Å; F235-L295 HydrophobicContact CB-CD2 4.3Å; F235-L295 HydrophobicContact CD1-CB 4.16Å; F235-L295 HydrophobicContact CD2-CB 3.98Å; F235-L295 HydrophobicContact CD2-CD1 3.55Å; F235-L295 HydrophobicContact CD2-CG 4.24Å; F235-L295 HydrophobicContact CE1-CB 4.14Å; F235-L295 HydrophobicContact CE2-CB 3.96Å; F235-L295 HydrophobicContact CE2-CD1 3.99Å; F235-L295 HydrophobicContact CG-CB 4.08Å; F235-L295 HydrophobicContact CG-CD1 4.13Å; F235-L295 HydrophobicContact CG-CD2 4.42Å; F235-L295 HydrophobicContact CG-CG 4.43Å; F235-L295 HydrophobicContact CZ-CB 4.05Å; A292-L295 WeakPolarHBondContact O-CB 3.29Å; A292-L295 PolarHBondContact O-N 2.99Å; S293-L295 PolarHBondContact O-N 3.1Å; L295-E297 PolarHBondContact O-N 3.08Å; L295-H298 WeakPolarHBondContact O-CB 3.32Å; L295-H298 PolarHBondContact O-N 3.1Å |
| 296 | A | 69.3 | Low | 76.7 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 79% | 0.793 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | S293 A294 | S293-A296 WeakPolarHBondContact O-CB 3.4Å; S293-A296 PolarHBondContact O-N 2.6Å; S293-A296 VanDerWaalsContact O-N 3.15Å; A294-A296 VanDerWaalsContact C-N 3.3Å |
| 297 | E | 74.4 | Confident | 74.5 | Confident | 128 Ų | 128 | 77.3 Ų | 77.3 | 60% | 0.598 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.9 | 175.2 | -62.8 | 171.2 | -165.4 | 0 | 0 | 112 | A294 L295 I299 | A294-E297 PolarHBondContact O-N 3.14Å; L295-E297 PolarHBondContact O-N 3.08Å; E297-I299 PolarHBondContact O-N 3.42Å |
| 298 | H | 82.3 | Confident | 72 | Confident | 28 Ų | 28 | 83 Ų | 83 | 13% | 0.13 | 45% | 0.451 | C | S | . | . | trans | -78.5 | 121.1 | -178.6 | 178.5 | 62.3 | 0 | 0 | 0 | 111.7 | Y227 H228 V231 L295 | Y227-H298 AromaticContact CE1-CE1 3.55Å; H228-H298 AromaticContact CE1-NE2 3.94Å; H228-H298 AromaticContact ND1-CD2 3.74Å; H228-H298 AromaticContact ND1-NE2 3.14Å; H228-H298 PolarHBondContact ND1-NE2 2.82Å; H228-H298 VanDerWaalsContact ND1-NE2 3.14Å; V231-H298 HydrophobicContact CG1-CB 4.44Å; L295-H298 WeakPolarHBondContact O-CB 3.32Å; L295-H298 PolarHBondContact O-N 3.1Å | ||
| 299 | I | 77.3 | Confident | 69.4 | Low | 145 Ų | 145 | 82.7 Ų | 82.7 | 74% | 0.744 | 46% | 0.461 | S | S | * | . | trans | -106 | 128.9 | 177.2 | -57.9 | 173.1 | 0 | 0 | 0 | 108.5 | E297 P301 | E297-I299 PolarHBondContact O-N 3.42Å; I299-P301 VanDerWaalsContact O-CD 3.28Å; I299-P301 WeakPolarHBondContact O-CD 3.12Å | ||
| 300 | K | 79.3 | Confident | 66.8 | Low | 75 Ų | 75 | 88.3 Ų | 88.3 | 33% | 0.326 | 50% | 0.499 | S | S | . | . | trans | -60.2 | 118 | 174.6 | -178.5 | 174.8 | 177.2 | 178.7 | 0 | 109.4 | H228 V302 | H228-K300 HydrophobicContact CB-CG 4.29Å; K300-V302 PolarHBondContact O-N 2.63Å | ||
| 301 | P | 72.5 | Confident | 64.3 | Low | 12 Ų | 12 | 91.4 Ų | 91.4 | 8% | 0.078 | 51% | 0.511 | C | S | . | . | trans | -70.3 | 126.8 | 173.4 | 26.8 | -29.3 | 0 | 0 | 0 | 109.3 | S224 Y227 P280 L282 I299 | S224-P301 WeakPolarHBondContact OG-CB 3.37Å; S224-P301 PolarHBondContact OG-O 3.06Å; Y227-P301 HydrophobicContact CD1-CG 3.72Å; Y227-P301 HydrophobicContact CE1-CG 4.26Å; P280-P301 HydrophobicContact CB-CB 3.83Å; P280-P301 HydrophobicContact CG-CB 3.61Å; L282-P301 HydrophobicContact CD2-CB 4.3Å; L282-P301 HydrophobicContact CD2-CG 4.28Å; I299-P301 VanDerWaalsContact O-CD 3.28Å; I299-P301 WeakPolarHBondContact O-CD 3.12Å | ||
| 302 | V | 71.3 | Confident | 62 | Low | 91 Ų | 91 | 93.1 Ų | 93.1 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | trans | -114 | 124.2 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | K300 V304 | K300-V302 PolarHBondContact O-N 2.63Å; V302-V304 HydrophobicContact CG1-CG2 4.27Å | ||
| 303 | V | 70.5 | Confident | 60 | Low | 25 Ų | 25 | 95.1 Ų | 95.1 | 15% | 0.152 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 119 | 172.8 | -179 | 0 | 0 | 0 | 0 | 107.2 | I220 Q221 I277 Q278 P280 | I220-V303 HydrophobicContact CG2-CG1 4.25Å; I220-V303 HydrophobicContact CG2-CG2 3.82Å; Q221-V303 HydrophobicContact CG-CG1 4.24Å; I277-V303 HydrophobicContact CB-CG1 4.26Å; I277-V303 HydrophobicContact CD1-CG1 4.44Å; Q278-V303 WeakPolarHBondContact O-CA 3.41Å; P280-V303 HydrophobicContact CG-CG2 4.12Å |
| 304 | V | 75.3 | Confident | 57.9 | Low | 67 Ų | 67 | 101 Ų | 101 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | B | Isolated β-bridge | trans | -100.3 | 124.6 | -179.8 | -176 | 0 | 0 | 0 | 0 | 109 | Q278 V302 | Q278-V304 HydrophobicContact CB-CB 4.09Å; Q278-V304 PolarHBondContact N-O 3.47Å; Q278-V304 PolarHBondContact O-N 3.17Å; V302-V304 HydrophobicContact CG1-CG2 4.27Å |
| 305 | I | 72.5 | Confident | 56 | Low | 94 Ų | 94 | 106 Ų | 106 | 48% | 0.482 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -92.6 | 120.3 | 168 | -59.5 | 169.3 | 0 | 0 | 0 | 106.3 | Q221 I277 E307 | Q221-I305 VanDerWaalsContact NE2-CD1 3.33Å; I277-I305 HydrophobicContact CG2-CG1 3.93Å; I305-E307 PolarHBondContact O-N 2.67Å |
| 306 | P | 53.7 | Low | 53.8 | Low | 74 Ų | 74 | 111.5 Ų | 111.5 | 48% | 0.481 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 131.7 | 172.6 | -20.3 | 32.7 | 0 | 0 | 0 | 110.1 | L276 E308 | L276-P306 WeakPolarHBondContact O-CD 3.21Å; P306-E308 PolarHBondContact O-N 3.49Å |
| 307 | E | 41.4 | Very low | 52.1 | Low | 195 Ų | 195 | 113.4 Ų | 113.4 | 91% | 0.911 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 121.8 | 172.3 | -72.4 | -176.9 | 164.8 | 0 | 0 | 108.9 | I305 A309 | I305-E307 PolarHBondContact O-N 2.67Å; E307-A309 PolarHBondContact O-N 2.99Å |
| 308 | E | 35.7 | Very low | 50.2 | Low | 143 Ų | 143 | 113 Ų | 113 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 126 | 173.8 | -73 | -178.9 | 155.5 | 0 | 0 | 108.4 | P306 | P306-E308 PolarHBondContact O-N 3.49Š|
| 309 | A | 31.3 | Very low | 47.8 | Very low | 83 Ų | 83 | 119 Ų | 119 | 69% | 0.686 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 138.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | E307 E311 | E307-A309 PolarHBondContact O-N 2.99Å; A309-E311 PolarHBondContact O-N 2.91Å |
| 310 | P | 34.4 | Very low | 45.4 | Very low | 132 Ų | 132 | 120.9 Ų | 120.9 | 86% | 0.857 | 64% | 0.637 | S | S | * | * | trans | -66.3 | 103.5 | -175.1 | 25.4 | -31.2 | 0 | 0 | 0 | 109.3 | ||||
| 311 | E | 32.4 | Very low | 43 | Very low | 179 Ų | 179 | 124.3 Ų | 124.3 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | trans | -78.5 | 131.3 | 158.8 | -74.7 | -170.5 | 169.6 | 0 | 0 | 108.1 | A309 E313 | A309-E311 PolarHBondContact O-N 2.91Å; E311-E313 PolarHBondContact O-N 3.46Å | ||
| 312 | D | 34.5 | Very low | 40.9 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 92% | 0.92 | 69% | 0.692 | S | S | * | * | trans | -37.4 | 103.3 | -174.8 | -65.3 | -58 | 0 | 0 | 0 | 114.3 | ||||
| 313 | E | 31.1 | Very low | 38.9 | Very low | 127 Ų | 127 | 133 Ų | 133 | 59% | 0.593 | 71% | 0.706 | S | S | * | * | trans | -104.2 | 125.2 | 163.1 | -68.6 | -155.8 | 139.3 | 0 | 0 | 109.8 | E311 | E311-E313 PolarHBondContact O-N 3.46Š| ||
| 314 | E | 27.2 | Very low | 36.9 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -59.6 | 134.9 | 162.5 | -67.8 | -176.9 | 149.9 | 0 | 0 | 109.5 | E316 | E314-E316 PolarHBondContact O-N 2.66Š| ||
| 315 | P | 32.8 | Very low | 34.9 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -79.4 | 109.1 | -179.5 | 30.2 | -30.6 | 0 | 0 | 0 | 110.3 | ||||
| 316 | E | 30 | Very low | 33 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -93.4 | 124.9 | 157.5 | -83.3 | -176.5 | 162.8 | 0 | 0 | 109.2 | E314 L318 | E314-E316 PolarHBondContact O-N 2.66Å; E316-L318 PolarHBondContact O-N 3.5Å; E316-L318 VanDerWaalsContact O-N 3.13Å | ||
| 317 | N | 35.4 | Very low | 31.9 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -58 | 110.2 | 179.3 | -70 | -54.9 | 0 | 0 | 0 | 111.3 | ||||
| 318 | L | 33 | Very low | 31.4 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 62% | 0.618 | 77% | 0.768 | S | S | * | * | trans | -123.2 | 113.1 | 161.6 | -82.3 | 162.9 | 0 | 0 | 0 | 107.9 | H60 E316 E320 | H60-L318 VanDerWaalsContact CD2-CD2 3.5Å; H60-L318 WeakPolarHBondContact CD2-CD2 3.2Å; E316-L318 PolarHBondContact O-N 3.5Å; E316-L318 VanDerWaalsContact O-N 3.13Å; L318-E320 PolarHBondContact O-N 3.18Å; L318-E320 VanDerWaalsContact O-N 3.17Å | ||
| 319 | I | 31.6 | Very low | 31.1 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 107.2 | 176.4 | -63.3 | 165.3 | 0 | 0 | 0 | 107.5 | I321 | I319-I321 HydrophobicContact CG2-CG1 4.05Å; I319-I321 PolarHBondContact O-N 3.09Å | ||
| 320 | E | 26.7 | Very low | 31.2 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -76.8 | 107.2 | 166.8 | -78.7 | -174.9 | 161.9 | 0 | 0 | 109.5 | L318 | L318-E320 PolarHBondContact O-N 3.18Å; L318-E320 VanDerWaalsContact O-N 3.17Å | ||
| 321 | I | 29.4 | Very low | 30.9 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -97.8 | 92.5 | 158.9 | -58.6 | 174 | 0 | 0 | 0 | 106.2 | I319 | I319-I321 HydrophobicContact CG2-CG1 4.05Å; I319-I321 PolarHBondContact O-N 3.09Å | ||
| 322 | S | 27.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -94.8 | 114.7 | 165.9 | -161.7 | 0 | 0 | 0 | 0 | 109 | G324 | S322-G324 PolarHBondContact O-N 3.32Š| ||
| 323 | M | 29.8 | Very low | 30.7 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -74.3 | 103.9 | 170.1 | -66.8 | -134.9 | -53.2 | 0 | 0 | 109.2 | ||||
| 324 | G | 28.3 | Very low | 30.8 | Very low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 144.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S322 | S322-G324 PolarHBondContact O-N 3.32Š|
| 325 | P | 33.8 | Very low | 31.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 157.5 | 179.5 | 30.9 | -35 | 0 | 0 | 0 | 112 | V327 | P325-V327 PolarHBondContact O-N 2.9Š|
| 326 | P | 32.8 | Very low | 31.3 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 121.9 | -179.4 | 28 | -32.1 | 0 | 0 | 0 | 110.4 | G328 | P326-G328 PolarHBondContact O-N 3.48Š|
| 327 | V | 30.9 | Very low | 31.4 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 118.5 | 170.5 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | P325 | P325-V327 PolarHBondContact O-N 2.9Š|
| 328 | G | 31.5 | Very low | 31.3 | Very low | 62 Ų | 62 | 136.5 Ų | 136.5 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 138.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | P326 | P326-G328 PolarHBondContact O-N 3.48Š|
| 329 | E | 28.8 | Very low | 31.5 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 139.4 | 170.1 | -62.9 | 174.8 | 156.3 | 0 | 0 | 111.4 | ||
| 330 | P | 33.3 | Very low | 31.8 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 118.2 | 163.9 | 31.5 | -26.4 | 0 | 0 | 0 | 110 | ||
| 331 | V | 28.2 | Very low | 32.2 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -127 | 107.4 | 158.4 | 177.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 332 | V | 32 | Very low | 32.4 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | -168.2 | 99.9 | 128 | -174.3 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 333 | V | 31.2 | Very low | 33.4 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -110.9 | 113.4 | 155.5 | -171.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 334 | A | 32 | Very low | 34.2 | Very low | 82 Ų | 82 | 133 Ų | 133 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -66.3 | 148.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 335 | D | 35.2 | Very low | 34.7 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -41.6 | 127.8 | 177.8 | -83.2 | -48.5 | 0 | 0 | 0 | 114.9 | ||||
| 336 | L | 35.7 | Very low | 34.8 | Very low | 167 Ų | 167 | 136 Ų | 136 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -138.7 | 46.2 | 161.1 | -164.6 | 70.7 | 0 | 0 | 0 | 111.3 | ||||
| 337 | F | 32.1 | Very low | 35.5 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -144.6 | 34.9 | 176.1 | -125.9 | -87.7 | 0 | 0 | 0 | 114.5 | ||||
| 338 | D | 33.2 | Very low | 36.2 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -122.3 | 34.3 | -179.9 | -132.7 | 12.8 | 0 | 0 | 0 | 114.1 | ||||
| 339 | Q | 36.3 | Very low | 37.3 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -136.6 | 70.5 | 169.6 | -79.8 | -172.9 | 10.7 | 0 | 0 | 111.7 | ||
| 340 | T | 38.3 | Very low | 38.6 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -151 | -17.1 | 157.3 | -43.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 341 | F | 35.2 | Very low | 39.9 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -135.8 | 112.1 | -176.6 | -65.7 | -80.5 | 0 | 0 | 0 | 113.3 | ||||
| 342 | G | 34.3 | Very low | 41.4 | Very low | 69 Ų | 69 | 140.9 Ų | 140.9 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -69.6 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 343 | P | 47.8 | Very low | 43 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -85.8 | 158.2 | -164.8 | 35.2 | -33.9 | 0 | 0 | 0 | 112.6 | ||||
| 344 | P | 46.5 | Very low | 45.1 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | -142.6 | 135.2 | 122.1 | 31.4 | -13.9 | 0 | 0 | 0 | 115.2 | |||||
| 345 | N | 38.8 | Very low | 47.2 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | trans | 21.9 | 138.5 | 141.7 | -74.5 | -13.3 | 0 | 0 | 0 | 121.8 | ||||
| 346 | G | 36.6 | Very low | 49.2 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | 137 | 93.4 | 133.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 347 | S | 47.7 | Very low | 51.4 | Low | 115 Ų | 115 | 134.4 Ų | 134.4 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | 0.4 | 119.3 | 153.9 | 57.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 348 | V | 45.9 | Very low | 53.8 | Low | 119 Ų | 119 | 128 Ų | 128 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | -164.5 | 116.9 | 119.2 | 179.7 | 0 | 0 | 0 | 0 | 106.8 | D350 | V348-D350 PolarHBondContact O-N 3Š| |||
| 349 | K | 53.3 | Low | 56.3 | Low | 205 Ų | 205 | 124.7 Ų | 124.7 | 89% | 0.891 | 68% | 0.678 | S | S | * | * | trans | -79.8 | 101.9 | 165.8 | -87 | -173.1 | 174.7 | -174.4 | 0 | 107.2 | ||||
| 350 | D | 58.1 | Low | 58.4 | Low | 102 Ų | 102 | 122.1 Ų | 122.1 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | trans | -84.4 | 145.5 | -177.5 | -116.7 | -6.5 | 0 | 0 | 0 | 110.8 | V348 R352 D353 | V348-D350 PolarHBondContact O-N 3Å; D350-R352 PolarHBondContact O-N 3.32Å; D350-D353 PolarHBondContact O-N 3.43Å | ||
| 351 | D | 59.3 | Low | 60.8 | Low | 132 Ų | 132 | 123.7 Ų | 123.7 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -49.1 | -19.8 | 179 | -120.8 | 5.3 | 0 | 0 | 0 | 114.6 | R355 | D351-R355 PolarHBondContact O-N 3.41Å |
| 352 | R | 58.9 | Low | 63.3 | Low | 199 Ų | 199 | 119 Ų | 119 | 75% | 0.751 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.3 | -37.3 | 173.2 | -73.3 | -175.3 | 179.5 | -179.1 | 1.6 | 112.8 | D350 L354 R355 I356 | D350-R352 PolarHBondContact O-N 3.32Å; R352-L354 VanDerWaalsContact C-N 3.35Å; R352-R355 PolarHBondContact O-N 3.19Å; R352-I356 WeakPolarHBondContact O-CB 3.13Å; R352-I356 WeakPolarHBondContact O-CD1 3.43Å; R352-I356 VanDerWaalsContact O-CG1 3.22Å; R352-I356 WeakPolarHBondContact O-CG1 3.24Å; R352-I356 PolarHBondContact O-N 3.25Å |
| 353 | D | 67.6 | Low | 65.8 | Low | 88 Ų | 88 | 119 Ų | 119 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.8 | -37.3 | -179 | -70.4 | -25 | 0 | 0 | 0 | 111.2 | D350 I356 E357 | D350-D353 PolarHBondContact O-N 3.43Å; D353-I356 PolarHBondContact O-N 2.91Å; D353-E357 PolarHBondContact O-N 3.43Å |
| 354 | L | 74.4 | Confident | 67.7 | Low | 112 Ų | 112 | 119 Ų | 119 | 59% | 0.586 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.9 | -38.4 | 173.7 | -69.7 | 170.7 | 0 | 0 | 0 | 111.8 | R352 E357 S358 | R352-L354 VanDerWaalsContact C-N 3.35Å; L354-E357 PolarHBondContact O-N 2.86Å; L354-S358 PolarHBondContact O-N 3.34Å |
| 355 | R | 77 | Confident | 69.7 | Low | 171 Ų | 171 | 119.1 Ų | 119.1 | 65% | 0.645 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.3 | -38.7 | 175.2 | -164.7 | 71.7 | -175.9 | -169.7 | 4.4 | 112 | D351 R352 S358 L359 | D351-R355 PolarHBondContact O-N 3.41Å; R352-R355 PolarHBondContact O-N 3.19Å; R355-S358 PolarHBondContact O-N 2.81Å; R355-L359 HydrophobicContact CG-CD1 4.37Å; R355-L359 WeakPolarHBondContact O-CG 3.37Å; R355-L359 PolarHBondContact O-N 3Å |
| 356 | I | 77.1 | Confident | 72.1 | Confident | 82 Ų | 82 | 115.7 Ų | 115.7 | 42% | 0.421 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.1 | -43.6 | 174.3 | -70.9 | 164.5 | 0 | 0 | 0 | 110.1 | R352 D353 L359 K360 | R352-I356 WeakPolarHBondContact O-CB 3.13Å; R352-I356 WeakPolarHBondContact O-CD1 3.43Å; R352-I356 VanDerWaalsContact O-CG1 3.22Å; R352-I356 WeakPolarHBondContact O-CG1 3.24Å; R352-I356 PolarHBondContact O-N 3.25Å; D353-I356 PolarHBondContact O-N 2.91Å; I356-L359 PolarHBondContact O-N 3.38Å; I356-K360 HydrophobicContact CG2-CD 4.06Å; I356-K360 HydrophobicContact CG2-CG 4.44Å; I356-K360 WeakPolarHBondContact O-CB 3.25Å; I356-K360 VanDerWaalsContact O-CG 3.26Å; I356-K360 WeakPolarHBondContact O-CG 3.43Å; I356-K360 PolarHBondContact O-N 3.07Å |
| 357 | E | 81.8 | Confident | 74.4 | Confident | 91 Ų | 91 | 120.6 Ų | 120.6 | 43% | 0.425 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.8 | -40.3 | 175.1 | -78 | -170.2 | -171.6 | 0 | 0 | 113 | D353 L354 K360 R361 | D353-E357 PolarHBondContact O-N 3.43Å; L354-E357 PolarHBondContact O-N 2.86Å; E357-K360 PolarHBondContact O-N 3.45Å; E357-R361 WeakPolarHBondContact O-CG 3.46Å; E357-R361 PolarHBondContact O-N 3.09Å; E357-R361 IonicContact OE2-CZ 2.71Å; E357-R361 IonicContact OE2-NH1 3.88Å; E357-R361 IonicContact OE2-NH2 3.4Å; E357-R361 PolarHBondContact OE2-NH2 2.95Å |
| 358 | S | 81.9 | Confident | 76.4 | Confident | 58 Ų | 58 | 118.5 Ų | 118.5 | 41% | 0.406 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.1 | -46.4 | 176.3 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | L354 R355 R361 E362 | L354-S358 PolarHBondContact O-N 3.34Å; R355-S358 PolarHBondContact O-N 2.81Å; S358-R361 PolarHBondContact O-N 3.5Å; S358-E362 PolarHBondContact O-N 3.22Å; S358-E362 VanDerWaalsContact O-N 3.08Å |
| 359 | L | 84.9 | Confident | 78.4 | Confident | 85 Ų | 85 | 118.3 Ų | 118.3 | 45% | 0.445 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.4 | -35.5 | 178 | -73.1 | 168.8 | 0 | 0 | 0 | 111.9 | R355 I356 E362 V363 | R355-L359 HydrophobicContact CG-CD1 4.37Å; R355-L359 WeakPolarHBondContact O-CG 3.37Å; R355-L359 PolarHBondContact O-N 3Å; I356-L359 PolarHBondContact O-N 3.38Å; L359-E362 PolarHBondContact O-N 2.97Å; L359-V363 WeakPolarHBondContact O-CB 3.24Å; L359-V363 VanDerWaalsContact O-CG2 3.27Å; L359-V363 WeakPolarHBondContact O-CG2 3.47Å; L359-V363 PolarHBondContact O-N 3.49Å |
| 360 | K | 81.6 | Confident | 79.9 | Confident | 134 Ų | 134 | 113 Ų | 113 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | -44.9 | 173.4 | -79.2 | 176.5 | 177.8 | -179.8 | 0 | 111.7 | I356 E357 E362 V363 E364 | I356-K360 HydrophobicContact CG2-CD 4.06Å; I356-K360 HydrophobicContact CG2-CG 4.44Å; I356-K360 WeakPolarHBondContact O-CB 3.25Å; I356-K360 VanDerWaalsContact O-CG 3.26Å; I356-K360 WeakPolarHBondContact O-CG 3.43Å; I356-K360 PolarHBondContact O-N 3.07Å; E357-K360 PolarHBondContact O-N 3.45Å; K360-E362 VanDerWaalsContact C-N 3.35Å; K360-E362 PolarHBondContact O-N 3.43Å; K360-V363 PolarHBondContact O-N 3.39Å; K360-E364 PolarHBondContact O-N 3.29Å |
| 361 | R | 87.1 | Confident | 81.3 | Confident | 142 Ų | 142 | 113.1 Ų | 113.1 | 54% | 0.536 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 176.2 | -69.9 | -178.2 | -164.4 | 98.9 | 6.5 | 112.4 | E357 S358 E364 M365 | E357-R361 WeakPolarHBondContact O-CG 3.46Å; E357-R361 PolarHBondContact O-N 3.09Å; E357-R361 IonicContact OE2-CZ 2.71Å; E357-R361 IonicContact OE2-NH1 3.88Å; E357-R361 IonicContact OE2-NH2 3.4Å; E357-R361 PolarHBondContact OE2-NH2 2.95Å; S358-R361 PolarHBondContact O-N 3.5Å; R361-E364 PolarHBondContact O-N 2.85Å; R361-M365 PolarHBondContact O-N 3.41Å |
| 362 | E | 88.7 | Confident | 82.8 | Confident | 103 Ų | 103 | 113.1 Ų | 113.1 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 177.4 | -168.3 | 172.7 | -172.5 | 0 | 0 | 111.9 | S358 L359 K360 E364 M365 L366 | S358-E362 PolarHBondContact O-N 3.22Å; S358-E362 VanDerWaalsContact O-N 3.08Å; L359-E362 PolarHBondContact O-N 2.97Å; K360-E362 VanDerWaalsContact C-N 3.35Å; K360-E362 PolarHBondContact O-N 3.43Å; E362-E364 VanDerWaalsContact C-N 3.32Å; E362-E364 PolarHBondContact O-N 3.48Å; E362-M365 PolarHBondContact O-N 3.24Å; E362-L366 HydrophobicContact CG-CD1 4.41Å; E362-L366 WeakPolarHBondContact O-CG 3.49Å; E362-L366 PolarHBondContact O-N 3.3Å |
| 363 | V | 85.8 | Confident | 84.3 | Confident | 69 Ų | 69 | 109 Ų | 109 | 42% | 0.418 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 173.1 | 170 | 0 | 0 | 0 | 0 | 111.3 | L359 K360 R367 | L359-V363 WeakPolarHBondContact O-CB 3.24Å; L359-V363 VanDerWaalsContact O-CG2 3.27Å; L359-V363 WeakPolarHBondContact O-CG2 3.47Å; L359-V363 PolarHBondContact O-N 3.49Å; K360-V363 PolarHBondContact O-N 3.39Å; V363-R367 HydrophobicContact CG1-CG 4.46Å; V363-R367 WeakPolarHBondContact O-CB 3.43Å; V363-R367 VanDerWaalsContact O-CG 3.23Å; V363-R367 WeakPolarHBondContact O-CG 3.3Å; V363-R367 PolarHBondContact O-N 3.38Å |
| 364 | E | 88.4 | Confident | 85.2 | Confident | 128 Ų | 128 | 109.6 Ų | 109.6 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 174.7 | -96.9 | 161.5 | -179.6 | 0 | 0 | 112.7 | K360 R361 E362 R367 S368 | K360-E364 PolarHBondContact O-N 3.29Å; R361-E364 PolarHBondContact O-N 2.85Å; E362-E364 VanDerWaalsContact C-N 3.32Å; E362-E364 PolarHBondContact O-N 3.48Å; E364-R367 PolarHBondContact O-N 3.21Å; E364-S368 PolarHBondContact O-N 3.08Å |
| 365 | M | 89.6 | Confident | 85.9 | Confident | 123 Ų | 123 | 108.4 Ų | 108.4 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 173.8 | -75.7 | -143.1 | -55.6 | 0 | 0 | 111.8 | R361 E362 R367 S368 E369 | R361-M365 PolarHBondContact O-N 3.41Å; E362-M365 PolarHBondContact O-N 3.24Å; M365-R367 VanDerWaalsContact C-N 3.3Å; M365-R367 PolarHBondContact O-N 3.09Å; M365-S368 WeakPolarHBondContact O-CB 3.45Å; M365-S368 PolarHBondContact O-N 3.32Å; M365-S368 PolarHBondContact O-OG 3.12Å; M365-E369 PolarHBondContact O-N 3.25Å |
| 366 | L | 88.8 | Confident | 86.6 | Confident | 99 Ų | 99 | 105.1 Ų | 105.1 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 178.9 | -71.8 | 170.9 | 0 | 0 | 0 | 112.3 | E362 S368 E369 L370 | E362-L366 HydrophobicContact CG-CD1 4.41Å; E362-L366 WeakPolarHBondContact O-CG 3.49Å; E362-L366 PolarHBondContact O-N 3.3Å; L366-S368 VanDerWaalsContact C-N 3.34Å; L366-E369 PolarHBondContact O-N 3.05Å; L366-L370 VanDerWaalsContact O-CB 3.32Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 PolarHBondContact O-N 2.92Å |
| 367 | R | 85.3 | Confident | 86.9 | Confident | 175 Ų | 175 | 103.6 Ų | 103.6 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 172 | -77.5 | 174.1 | 178 | -168 | -1 | 111.5 | V363 E364 M365 L370 E371 | V363-R367 HydrophobicContact CG1-CG 4.46Å; V363-R367 WeakPolarHBondContact O-CB 3.43Å; V363-R367 VanDerWaalsContact O-CG 3.23Å; V363-R367 WeakPolarHBondContact O-CG 3.3Å; V363-R367 PolarHBondContact O-N 3.38Å; E364-R367 PolarHBondContact O-N 3.21Å; M365-R367 VanDerWaalsContact C-N 3.3Å; M365-R367 PolarHBondContact O-N 3.09Å; R367-L370 PolarHBondContact O-N 3.33Å; R367-E371 PolarHBondContact O-N 3.25Å |
| 368 | S | 88.1 | Confident | 87.1 | Confident | 72 Ų | 72 | 105 Ų | 105 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 177.9 | 79.5 | 0 | 0 | 0 | 0 | 112.9 | E364 M365 L366 E371 K372 | E364-S368 PolarHBondContact O-N 3.08Å; M365-S368 WeakPolarHBondContact O-CB 3.45Å; M365-S368 PolarHBondContact O-N 3.32Å; M365-S368 PolarHBondContact O-OG 3.12Å; L366-S368 VanDerWaalsContact C-N 3.34Å; S368-E371 PolarHBondContact O-N 2.99Å; S368-K372 PolarHBondContact O-N 3.24Å |
| 369 | E | 89.3 | Confident | 87.5 | Confident | 114 Ų | 114 | 109.9 Ų | 109.9 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 175.6 | -71.3 | -173.7 | 161.6 | 0 | 0 | 111.7 | M365 L366 K372 I373 | M365-E369 PolarHBondContact O-N 3.25Å; L366-E369 PolarHBondContact O-N 3.05Å; E369-K372 WeakPolarHBondContact O-CB 3.34Å; E369-K372 PolarHBondContact O-N 3.41Å; E369-I373 WeakPolarHBondContact O-CG1 3.47Å; E369-I373 PolarHBondContact O-N 3.15Å |
| 370 | L | 84.3 | Confident | 87.7 | Confident | 93 Ų | 93 | 112.8 Ų | 112.8 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.5 | -164.9 | 151.2 | 0 | 0 | 0 | 111.7 | L366 R367 I373 K374 | L366-L370 VanDerWaalsContact O-CB 3.32Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 PolarHBondContact O-N 2.92Å; R367-L370 PolarHBondContact O-N 3.33Å; L370-I373 PolarHBondContact O-N 3.45Å; L370-K374 HydrophobicContact CD2-CD 3.94Å; L370-K374 HydrophobicContact CD2-CG 4.27Å; L370-K374 WeakPolarHBondContact O-CG 3.33Å; L370-K374 PolarHBondContact O-N 2.86Å |
| 371 | E | 87.8 | Confident | 87.9 | Confident | 105 Ų | 105 | 110.5 Ų | 110.5 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 173.1 | -75.3 | -54 | 132.9 | 0 | 0 | 112.5 | R367 S368 K374 L375 | R367-E371 PolarHBondContact O-N 3.25Å; S368-E371 PolarHBondContact O-N 2.99Å; E371-K374 PolarHBondContact O-N 3.07Å; E371-K374 WeakPolarHBondContact OE1-CD 3.41Å; E371-K374 IonicContact OE1-NZ 2.73Å; E371-K374 PolarHBondContact OE1-NZ 2.92Å; E371-L375 WeakPolarHBondContact O-CB 3.28Å; E371-L375 PolarHBondContact O-N 3.35Å |
| 372 | K | 91.2 | Very high | 87.9 | Confident | 133 Ų | 133 | 107.4 Ų | 107.4 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 173.7 | -171.6 | -178.3 | 175.3 | -173.3 | 0 | 111.9 | S368 E369 L375 E376 | S368-K372 PolarHBondContact O-N 3.24Å; E369-K372 WeakPolarHBondContact O-CB 3.34Å; E369-K372 PolarHBondContact O-N 3.41Å; K372-L375 PolarHBondContact O-N 3.44Å; K372-E376 WeakPolarHBondContact CE-OE1 3.22Å; K372-E376 WeakPolarHBondContact O-CG 3.49Å; K372-E376 PolarHBondContact O-N 3.43Å |
| 373 | I | 90.3 | Very high | 87.9 | Confident | 113 Ų | 113 | 108.4 Ų | 108.4 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 177.5 | -67.7 | 167.6 | 0 | 0 | 0 | 111 | E369 L370 L375 E376 A377 | E369-I373 WeakPolarHBondContact O-CG1 3.47Å; E369-I373 PolarHBondContact O-N 3.15Å; L370-I373 PolarHBondContact O-N 3.45Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 2.95Å; I373-E376 PolarHBondContact O-N 3.49Å; I373-A377 WeakPolarHBondContact O-CB 3.39Å; I373-A377 PolarHBondContact O-N 2.94Å |
| 374 | K | 86.6 | Confident | 87.9 | Confident | 99 Ų | 99 | 108.8 Ų | 108.8 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 174.1 | -79.7 | 177.3 | 179.4 | 166.4 | 0 | 112 | L370 E371 E376 A377 Q378 | L370-K374 HydrophobicContact CD2-CD 3.94Å; L370-K374 HydrophobicContact CD2-CG 4.27Å; L370-K374 WeakPolarHBondContact O-CG 3.33Å; L370-K374 PolarHBondContact O-N 2.86Å; E371-K374 PolarHBondContact O-N 3.07Å; E371-K374 WeakPolarHBondContact OE1-CD 3.41Å; E371-K374 IonicContact OE1-NZ 2.73Å; E371-K374 PolarHBondContact OE1-NZ 2.92Å; K374-E376 VanDerWaalsContact C-N 3.35Å; K374-A377 PolarHBondContact O-N 3.06Å; K374-Q378 WeakPolarHBondContact O-CB 3.26Å; K374-Q378 WeakPolarHBondContact O-CG 3.44Å; K374-Q378 PolarHBondContact O-N 2.76Å |
| 375 | L | 89.4 | Confident | 87.8 | Confident | 87 Ų | 87 | 109 Ų | 109 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 179.4 | -157 | 93.7 | 0 | 0 | 0 | 111.6 | E371 K372 I373 Q378 R379 | E371-L375 WeakPolarHBondContact O-CB 3.28Å; E371-L375 PolarHBondContact O-N 3.35Å; K372-L375 PolarHBondContact O-N 3.44Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 2.95Å; L375-Q378 PolarHBondContact O-N 3.02Å; L375-R379 WeakPolarHBondContact O-CG 3.27Å; L375-R379 PolarHBondContact O-N 3.24Å |
| 376 | E | 90.4 | Very high | 87.6 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 48% | 0.477 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 175.8 | -72.7 | 174.7 | -171.8 | 0 | 0 | 111.7 | K372 I373 K374 Q378 R379 Y380 | K372-E376 WeakPolarHBondContact CE-OE1 3.22Å; K372-E376 WeakPolarHBondContact O-CG 3.49Å; K372-E376 PolarHBondContact O-N 3.43Å; I373-E376 PolarHBondContact O-N 3.49Å; K374-E376 VanDerWaalsContact C-N 3.35Å; E376-Q378 PolarHBondContact O-N 2.95Å; E376-R379 PolarHBondContact O-N 2.85Å; E376-Y380 PolarHBondContact O-N 3.48Å; E376-Y380 VanDerWaalsContact O-N 3.08Å |
| 377 | A | 84.4 | Confident | 87.6 | Confident | 50 Ų | 50 | 107.8 Ų | 107.8 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I373 K374 R379 Y380 I381 | I373-A377 WeakPolarHBondContact O-CB 3.39Å; I373-A377 PolarHBondContact O-N 2.94Å; K374-A377 PolarHBondContact O-N 3.06Å; A377-R379 PolarHBondContact O-N 3.41Å; A377-Y380 PolarHBondContact O-N 3.01Å; A377-I381 VanDerWaalsContact O-CG1 3.3Å; A377-I381 WeakPolarHBondContact O-CG1 3.44Å; A377-I381 PolarHBondContact O-N 3.01Å |
| 378 | Q | 85.1 | Confident | 87.4 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -40.5 | 175.2 | -78.9 | 178.4 | -9.6 | 0 | 0 | 112.2 | K374 L375 E376 Y380 I381 S382 | K374-Q378 WeakPolarHBondContact O-CB 3.26Å; K374-Q378 WeakPolarHBondContact O-CG 3.44Å; K374-Q378 PolarHBondContact O-N 2.76Å; L375-Q378 PolarHBondContact O-N 3.02Å; E376-Q378 PolarHBondContact O-N 2.95Å; Q378-Y380 VanDerWaalsContact C-N 3.35Å; Q378-Y380 PolarHBondContact O-N 3.07Å; Q378-I381 PolarHBondContact O-N 3.08Å; Q378-S382 PolarHBondContact O-N 2.93Å; Q378-S382 PolarHBondContact O-OG 2.94Å |
| 379 | R | 90.3 | Very high | 87.2 | Confident | 161 Ų | 161 | 104.4 Ų | 104.4 | 61% | 0.608 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | 174.9 | -75.1 | 175.4 | -179 | -178.6 | 0.9 | 112 | L375 E376 A377 S382 Q383 | L375-R379 WeakPolarHBondContact O-CG 3.27Å; L375-R379 PolarHBondContact O-N 3.24Å; E376-R379 PolarHBondContact O-N 2.85Å; A377-R379 PolarHBondContact O-N 3.41Å; R379-S382 PolarHBondContact O-N 3.47Å; R379-Q383 PolarHBondContact O-N 2.91Å |
| 380 | Y | 90.1 | Very high | 87 | Confident | 147 Ų | 147 | 101.6 Ų | 101.6 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 178 | -165 | -108.7 | 0 | 0 | 0 | 112.1 | E376 A377 Q378 S382 Q383 L384 | E376-Y380 PolarHBondContact O-N 3.48Å; E376-Y380 VanDerWaalsContact O-N 3.08Å; A377-Y380 PolarHBondContact O-N 3.01Å; Q378-Y380 VanDerWaalsContact C-N 3.35Å; Q378-Y380 PolarHBondContact O-N 3.07Å; Y380-S382 VanDerWaalsContact C-N 3.33Å; Y380-S382 PolarHBondContact O-N 3.48Å; Y380-Q383 PolarHBondContact O-N 2.95Å; Y380-L384 HydrophobicContact CD1-CD1 3.77Å; Y380-L384 HydrophobicContact CD1-CG 4.36Å; Y380-L384 HydrophobicContact CE1-CD1 3.5Å; Y380-L384 HydrophobicContact CE1-CG 4.13Å; Y380-L384 PolarHBondContact O-N 3.34Å |
| 381 | I | 85.3 | Confident | 86.8 | Confident | 86 Ų | 86 | 102.6 Ų | 102.6 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 174.2 | -69.2 | 166 | 0 | 0 | 0 | 110.8 | A377 Q378 Q383 L384 K385 | A377-I381 VanDerWaalsContact O-CG1 3.3Å; A377-I381 WeakPolarHBondContact O-CG1 3.44Å; A377-I381 PolarHBondContact O-N 3.01Å; Q378-I381 PolarHBondContact O-N 3.08Å; I381-Q383 PolarHBondContact O-N 3.23Å; I381-L384 PolarHBondContact O-N 2.9Å; I381-K385 HydrophobicContact CG2-CD 4.09Å; I381-K385 HydrophobicContact CG2-CG 4.44Å; I381-K385 WeakPolarHBondContact O-CB 3.41Å; I381-K385 VanDerWaalsContact O-CG 3.31Å; I381-K385 WeakPolarHBondContact O-CG 3.37Å; I381-K385 PolarHBondContact O-N 3.45Å |
| 382 | S | 86.7 | Confident | 86.4 | Confident | 77 Ų | 77 | 103 Ų | 103 | 54% | 0.538 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 177.2 | -66.1 | 0 | 0 | 0 | 0 | 112.8 | Q378 R379 Y380 S386 | Q378-S382 PolarHBondContact O-N 2.93Å; Q378-S382 PolarHBondContact O-OG 2.94Å; R379-S382 PolarHBondContact O-N 3.47Å; Y380-S382 VanDerWaalsContact C-N 3.33Å; Y380-S382 PolarHBondContact O-N 3.48Å; S382-S386 PolarHBondContact O-N 2.84Å |
| 383 | Q | 89.6 | Confident | 86 | Confident | 124 Ų | 124 | 98.6 Ų | 98.6 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -45.5 | 174.8 | -76.6 | 179.6 | -16.3 | 0 | 0 | 112.2 | R379 Y380 I381 S386 Q387 | R379-Q383 PolarHBondContact O-N 2.91Å; Y380-Q383 PolarHBondContact O-N 2.95Å; I381-Q383 PolarHBondContact O-N 3.23Å; Q383-S386 WeakPolarHBondContact O-CB 3.25Å; Q383-S386 PolarHBondContact O-N 3.43Å; Q383-Q387 PolarHBondContact O-N 3.14Å |
| 384 | L | 85.9 | Confident | 85.7 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 40% | 0.398 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 176.4 | -74.1 | 174.4 | 0 | 0 | 0 | 111.7 | Y380 I381 S386 Q387 V388 | Y380-L384 HydrophobicContact CD1-CD1 3.77Å; Y380-L384 HydrophobicContact CD1-CG 4.36Å; Y380-L384 HydrophobicContact CE1-CD1 3.5Å; Y380-L384 HydrophobicContact CE1-CG 4.13Å; Y380-L384 PolarHBondContact O-N 3.34Å; I381-L384 PolarHBondContact O-N 2.9Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.21Å; L384-Q387 PolarHBondContact O-N 3.17Å; L384-V388 WeakPolarHBondContact O-CG2 3.47Å; L384-V388 PolarHBondContact O-N 2.77Å |
| 385 | K | 85.4 | Confident | 85 | Confident | 132 Ų | 132 | 99 Ų | 99 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.3 | -41.6 | 174.1 | -76.5 | 178.8 | 177.5 | -176.6 | 0 | 112.1 | I381 Q387 V388 N389 | I381-K385 HydrophobicContact CG2-CD 4.09Å; I381-K385 HydrophobicContact CG2-CG 4.44Å; I381-K385 WeakPolarHBondContact O-CB 3.41Å; I381-K385 VanDerWaalsContact O-CG 3.31Å; I381-K385 WeakPolarHBondContact O-CG 3.37Å; I381-K385 PolarHBondContact O-N 3.45Å; K385-Q387 VanDerWaalsContact C-N 3.33Å; K385-Q387 PolarHBondContact O-N 2.97Å; K385-V388 PolarHBondContact O-N 3.39Å; K385-N389 WeakPolarHBondContact O-CB 3.44Å; K385-N389 PolarHBondContact O-N 2.7Å; K385-N389 PolarHBondContact O-OD1 3.38Å |
| 386 | S | 86.6 | Confident | 84.3 | Confident | 78 Ų | 78 | 97.7 Ų | 97.7 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 176.2 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | S382 Q383 L384 A390 | S382-S386 PolarHBondContact O-N 2.84Å; Q383-S386 WeakPolarHBondContact O-CB 3.25Å; Q383-S386 PolarHBondContact O-N 3.43Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.21Å; S386-A390 PolarHBondContact O-N 3.05Å; S386-A390 VanDerWaalsContact O-N 3.14Å |
| 387 | Q | 87.1 | Confident | 84 | Confident | 120 Ų | 120 | 97.3 Ų | 97.3 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.7 | -41.5 | 176.8 | -73.7 | 179 | -7.7 | 0 | 0 | 112.1 | Q383 L384 K385 A390 L391 | Q383-Q387 PolarHBondContact O-N 3.14Å; L384-Q387 PolarHBondContact O-N 3.17Å; K385-Q387 VanDerWaalsContact C-N 3.33Å; K385-Q387 PolarHBondContact O-N 2.97Å; Q387-A390 PolarHBondContact O-N 3.42Å; Q387-L391 WeakPolarHBondContact O-CG 3.42Å; Q387-L391 PolarHBondContact O-N 3.26Å |
| 388 | V | 82.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 100.7 Ų | 100.7 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | 174.3 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | L384 K385 A390 L391 E392 | L384-V388 WeakPolarHBondContact O-CG2 3.47Å; L384-V388 PolarHBondContact O-N 2.77Å; K385-V388 PolarHBondContact O-N 3.39Å; V388-A390 VanDerWaalsContact C-N 3.28Å; V388-A390 PolarHBondContact O-N 2.97Å; V388-L391 PolarHBondContact O-N 3.23Å; V388-E392 HydrophobicContact CG1-CG 4.24Å; V388-E392 WeakPolarHBondContact CG1-OE1 3.29Å; V388-E392 WeakPolarHBondContact O-CB 3.39Å; V388-E392 VanDerWaalsContact O-CG 3.29Å; V388-E392 WeakPolarHBondContact O-CG 3.47Å; V388-E392 PolarHBondContact O-N 3.48Å |
| 389 | N | 83.2 | Confident | 83.3 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -35.7 | 178.1 | -68.3 | -6.6 | 0 | 0 | 0 | 112.9 | K385 G393 | K385-N389 WeakPolarHBondContact O-CB 3.44Å; K385-N389 PolarHBondContact O-N 2.7Å; K385-N389 PolarHBondContact O-OD1 3.38Å; N389-G393 PolarHBondContact O-N 3.46Å |
| 390 | A | 85.9 | Confident | 83 | Confident | 56 Ų | 56 | 99.7 Ų | 99.7 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S386 Q387 V388 G393 E394 | S386-A390 PolarHBondContact O-N 3.05Å; S386-A390 VanDerWaalsContact O-N 3.14Å; Q387-A390 PolarHBondContact O-N 3.42Å; V388-A390 VanDerWaalsContact C-N 3.28Å; V388-A390 PolarHBondContact O-N 2.97Å; A390-G393 PolarHBondContact O-N 2.81Å; A390-E394 PolarHBondContact O-N 3.31Å |
| 391 | L | 79.4 | Confident | 82.4 | Confident | 113 Ų | 113 | 97.7 Ų | 97.7 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.4 | -38 | 177.5 | -71.3 | 171.6 | 0 | 0 | 0 | 112.3 | Q387 V388 G393 E394 L395 | Q387-L391 WeakPolarHBondContact O-CG 3.42Å; Q387-L391 PolarHBondContact O-N 3.26Å; V388-L391 PolarHBondContact O-N 3.23Å; L391-G393 VanDerWaalsContact C-N 3.3Å; L391-G393 PolarHBondContact O-N 2.88Å; L391-E394 PolarHBondContact O-N 3.34Å; L391-L395 WeakPolarHBondContact O-CB 3.42Å; L391-L395 PolarHBondContact O-N 2.93Å |
| 392 | E | 79 | Confident | 82 | Confident | 114 Ų | 114 | 100.7 Ų | 100.7 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 172 | -74.1 | 176 | 167.2 | 0 | 0 | 111.1 | V388 L395 E396 | V388-E392 HydrophobicContact CG1-CG 4.24Å; V388-E392 WeakPolarHBondContact CG1-OE1 3.29Å; V388-E392 WeakPolarHBondContact O-CB 3.39Å; V388-E392 VanDerWaalsContact O-CG 3.29Å; V388-E392 WeakPolarHBondContact O-CG 3.47Å; V388-E392 PolarHBondContact O-N 3.48Å; E392-L395 PolarHBondContact O-N 3.28Å; E392-E396 WeakPolarHBondContact O-CB 3.36Å; E392-E396 PolarHBondContact O-N 2.83Å |
| 393 | G | 83.7 | Confident | 81.6 | Confident | 40 Ų | 40 | 102.5 Ų | 102.5 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N389 A390 L391 E396 E397 | N389-G393 PolarHBondContact O-N 3.46Å; A390-G393 PolarHBondContact O-N 2.81Å; L391-G393 VanDerWaalsContact C-N 3.3Å; L391-G393 PolarHBondContact O-N 2.88Å; G393-E396 PolarHBondContact O-N 3.44Å; G393-E397 PolarHBondContact O-N 3.02Å |
| 394 | E | 83.2 | Confident | 81.1 | Confident | 129 Ų | 129 | 103.3 Ų | 103.3 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -41.6 | 176.3 | -75.3 | 179.4 | -176.6 | 0 | 0 | 112.2 | A390 L391 E396 E397 Q398 | A390-E394 PolarHBondContact O-N 3.31Å; L391-E394 PolarHBondContact O-N 3.34Å; E394-E396 VanDerWaalsContact C-N 3.3Å; E394-E396 PolarHBondContact O-N 2.94Å; E394-E397 PolarHBondContact O-N 3.49Å; E394-Q398 WeakPolarHBondContact O-CG 3.24Å; E394-Q398 PolarHBondContact O-N 2.99Å |
| 395 | L | 70.8 | Confident | 80.8 | Confident | 91 Ų | 91 | 102.5 Ų | 102.5 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 175.8 | -175.8 | 67.1 | 0 | 0 | 0 | 111.6 | L391 E392 Q398 R399 | L391-L395 WeakPolarHBondContact O-CB 3.42Å; L391-L395 PolarHBondContact O-N 2.93Å; E392-L395 PolarHBondContact O-N 3.28Å; L395-Q398 PolarHBondContact O-N 2.82Å; L395-R399 WeakPolarHBondContact O-CG 3.25Å; L395-R399 PolarHBondContact O-N 3.27Å |
| 396 | E | 75.1 | Confident | 80.3 | Confident | 61 Ų | 61 | 100.3 Ų | 100.3 | 29% | 0.285 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 176.6 | -160.5 | 97.5 | 154.7 | 0 | 0 | 111.5 | R107 E392 G393 E394 R399 K400 | R107-E396 IonicContact CZ-OE1 2.98Å; R107-E396 IonicContact NH1-OE1 2.78Å; R107-E396 PolarHBondContact NH1-OE1 2.96Å; R107-E396 IonicContact NH2-OE1 3.8Å; E392-E396 WeakPolarHBondContact O-CB 3.36Å; E392-E396 PolarHBondContact O-N 2.83Å; G393-E396 PolarHBondContact O-N 3.44Å; E394-E396 VanDerWaalsContact C-N 3.3Å; E394-E396 PolarHBondContact O-N 2.94Å; E396-R399 WeakPolarHBondContact O-CB 3.41Å; E396-R399 PolarHBondContact O-N 2.92Å; E396-K400 WeakPolarHBondContact O-CG 3.46Å; E396-K400 PolarHBondContact O-N 3Å |
| 397 | E | 83.9 | Confident | 80.1 | Confident | 94 Ų | 94 | 99.5 Ų | 99.5 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 177.9 | -168.1 | 59.1 | -156.9 | 0 | 0 | 111.6 | G393 E394 R399 K400 Q401 | G393-E397 PolarHBondContact O-N 3.02Å; E394-E397 PolarHBondContact O-N 3.49Å; E397-R399 VanDerWaalsContact C-N 3.35Å; E397-R399 PolarHBondContact O-N 2.69Å; E397-K400 PolarHBondContact O-N 2.6Å; E397-K400 IonicContact OE2-NZ 2.71Å; E397-Q401 PolarHBondContact O-N 3.15Å |
| 398 | Q | 77.5 | Confident | 79.7 | Confident | 120 Ų | 120 | 97.5 Ų | 97.5 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 172.5 | -73.4 | -64.2 | -30.3 | 0 | 0 | 112.2 | E394 L395 Q401 K402 | E394-Q398 WeakPolarHBondContact O-CG 3.24Å; E394-Q398 PolarHBondContact O-N 2.99Å; L395-Q398 PolarHBondContact O-N 2.82Å; Q398-Q401 PolarHBondContact O-N 3.34Å; Q398-K402 PolarHBondContact O-N 3.31Å |
| 399 | R | 78.7 | Confident | 79.4 | Confident | 151 Ų | 151 | 97.4 Ų | 97.4 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 174.9 | -75.8 | 172.2 | 176.3 | 173.8 | -0.2 | 112.1 | L395 E396 E397 K402 Q403 | L395-R399 WeakPolarHBondContact O-CG 3.25Å; L395-R399 PolarHBondContact O-N 3.27Å; E396-R399 WeakPolarHBondContact O-CB 3.41Å; E396-R399 PolarHBondContact O-N 2.92Å; E397-R399 VanDerWaalsContact C-N 3.35Å; E397-R399 PolarHBondContact O-N 2.69Å; R399-K402 PolarHBondContact O-N 2.76Å; R399-Q403 WeakPolarHBondContact O-CB 3.39Å; R399-Q403 PolarHBondContact O-N 2.81Å |
| 400 | K | 82.8 | Confident | 79.1 | Confident | 109 Ų | 109 | 98.8 Ų | 98.8 | 47% | 0.474 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 175.5 | -72.3 | 174.8 | -170.8 | 167 | 0 | 112 | E396 E397 K402 Q403 K404 | E396-K400 WeakPolarHBondContact O-CG 3.46Å; E396-K400 PolarHBondContact O-N 3Å; E397-K400 PolarHBondContact O-N 2.6Å; E397-K400 IonicContact OE2-NZ 2.71Å; K400-K402 VanDerWaalsContact C-N 3.34Å; K400-K402 PolarHBondContact O-N 3.07Å; K400-Q403 PolarHBondContact O-N 3.42Å; K400-K404 WeakPolarHBondContact O-CB 3.47Å; K400-K404 PolarHBondContact O-N 3.48Å |
| 401 | Q | 78.7 | Confident | 78.9 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.1 | -76.2 | -179.6 | -0.8 | 0 | 0 | 111.5 | E397 Q398 K404 A405 | E397-Q401 PolarHBondContact O-N 3.15Å; Q398-Q401 PolarHBondContact O-N 3.34Å; Q401-K404 PolarHBondContact O-N 3.37Å; Q401-A405 WeakPolarHBondContact O-CB 3.43Å; Q401-A405 PolarHBondContact O-N 3.17Å |
| 402 | K | 76.8 | Confident | 79.1 | Confident | 148 Ų | 148 | 100.8 Ų | 100.8 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 175.4 | -174.9 | 178.3 | 178.7 | 177.4 | 0 | 112.5 | Q398 R399 K400 A405 L406 | Q398-K402 PolarHBondContact O-N 3.31Å; R399-K402 PolarHBondContact O-N 2.76Å; K400-K402 VanDerWaalsContact C-N 3.34Å; K400-K402 PolarHBondContact O-N 3.07Å; K402-A405 PolarHBondContact O-N 3.11Å; K402-L406 WeakPolarHBondContact O-CG 3.49Å; K402-L406 PolarHBondContact O-N 2.98Å |
| 403 | Q | 78 | Confident | 79.1 | Confident | 115 Ų | 115 | 103.2 Ų | 103.2 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 179 | -173.2 | 61.3 | 30.3 | 0 | 0 | 111.6 | R399 K400 L406 V407 | R399-Q403 WeakPolarHBondContact O-CB 3.39Å; R399-Q403 PolarHBondContact O-N 2.81Å; K400-Q403 PolarHBondContact O-N 3.42Å; Q403-L406 PolarHBondContact O-N 3.18Å; Q403-V407 WeakPolarHBondContact O-CG2 3.42Å; Q403-V407 PolarHBondContact O-N 3.41Å |
| 404 | K | 78.2 | Confident | 79.1 | Confident | 142 Ų | 142 | 106.8 Ų | 106.8 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.7 | -46.9 | 174.3 | -174.6 | 179.3 | 177.7 | -176.7 | 0 | 111.1 | K400 Q401 L406 V407 D408 | K400-K404 WeakPolarHBondContact O-CB 3.47Å; K400-K404 PolarHBondContact O-N 3.48Å; Q401-K404 PolarHBondContact O-N 3.37Å; K404-L406 VanDerWaalsContact C-N 3.28Å; K404-L406 PolarHBondContact O-N 3.16Å; K404-V407 PolarHBondContact O-N 2.82Å; K404-D408 WeakPolarHBondContact O-CB 3.36Å; K404-D408 PolarHBondContact O-N 3.44Å |
| 405 | A | 79.6 | Confident | 79.1 | Confident | 58 Ų | 58 | 105.1 Ų | 105.1 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -35 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | Q401 K402 N409 | Q401-A405 WeakPolarHBondContact O-CB 3.43Å; Q401-A405 PolarHBondContact O-N 3.17Å; K402-A405 PolarHBondContact O-N 3.11Å; A405-N409 VanDerWaalsContact O-CB 3.29Å; A405-N409 WeakPolarHBondContact O-CB 3.2Å; A405-N409 PolarHBondContact O-N 3.22Å |
| 406 | L | 75.3 | Confident | 79.6 | Confident | 86 Ų | 86 | 105.2 Ų | 105.2 | 45% | 0.45 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 175.6 | -75.2 | 171.4 | 0 | 0 | 0 | 112.4 | K402 Q403 K404 N409 E410 | K402-L406 WeakPolarHBondContact O-CG 3.49Å; K402-L406 PolarHBondContact O-N 2.98Å; Q403-L406 PolarHBondContact O-N 3.18Å; K404-L406 VanDerWaalsContact C-N 3.28Å; K404-L406 PolarHBondContact O-N 3.16Å; L406-N409 WeakPolarHBondContact O-CB 3.43Å; L406-N409 PolarHBondContact O-N 3.37Å; L406-E410 PolarHBondContact O-N 3.34Å |
| 407 | V | 82.5 | Confident | 80 | Confident | 62 Ų | 62 | 105 Ų | 105 | 38% | 0.376 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 177.1 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | Q403 K404 N409 E410 Q411 | Q403-V407 WeakPolarHBondContact O-CG2 3.42Å; Q403-V407 PolarHBondContact O-N 3.41Å; K404-V407 PolarHBondContact O-N 2.82Å; V407-N409 VanDerWaalsContact C-N 3.26Å; V407-N409 PolarHBondContact O-N 3.01Å; V407-E410 PolarHBondContact O-N 3Å; V407-Q411 WeakPolarHBondContact O-CB 3.42Å; V407-Q411 PolarHBondContact O-N 2.97Å |
| 408 | D | 79.4 | Confident | 80 | Confident | 78 Ų | 78 | 106 Ų | 106 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 175.7 | -66.5 | -16.1 | 0 | 0 | 0 | 110.8 | K404 Q411 L412 | K404-D408 WeakPolarHBondContact O-CB 3.36Å; K404-D408 PolarHBondContact O-N 3.44Å; D408-Q411 PolarHBondContact O-N 3.13Å; D408-L412 WeakPolarHBondContact O-CB 3.41Å; D408-L412 VanDerWaalsContact O-CG 3.3Å; D408-L412 WeakPolarHBondContact O-CG 3.47Å; D408-L412 PolarHBondContact O-N 3.46Å |
| 409 | N | 75.9 | Confident | 80.3 | Confident | 68 Ų | 68 | 105.9 Ų | 105.9 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 176.5 | -162.4 | -92.2 | 0 | 0 | 0 | 113 | A405 L406 V407 Q411 L412 R413 | A405-N409 VanDerWaalsContact O-CB 3.29Å; A405-N409 WeakPolarHBondContact O-CB 3.2Å; A405-N409 PolarHBondContact O-N 3.22Å; L406-N409 WeakPolarHBondContact O-CB 3.43Å; L406-N409 PolarHBondContact O-N 3.37Å; V407-N409 VanDerWaalsContact C-N 3.26Å; V407-N409 PolarHBondContact O-N 3.01Å; N409-Q411 VanDerWaalsContact C-N 3.33Å; N409-L412 PolarHBondContact O-N 3Å; N409-R413 WeakPolarHBondContact O-CB 3.42Å; N409-R413 VanDerWaalsContact O-CG 3.3Å; N409-R413 WeakPolarHBondContact O-CG 3.45Å; N409-R413 PolarHBondContact O-N 3.31Å; N409-R413 PolarHBondContact OD1-NE 3.47Å; N409-R413 VanDerWaalsContact OD1-NE 3.15Å; N409-R413 PolarHBondContact OD1-NH1 3.01Å; N409-R413 PolarHBondContact OD1-NH2 3.24Å |
| 410 | E | 77.6 | Confident | 80.6 | Confident | 133 Ų | 133 | 106.6 Ų | 106.6 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.5 | -38.9 | 174.4 | -75.7 | -175.2 | 166.5 | 0 | 0 | 111.8 | L406 V407 R413 H414 | L406-E410 PolarHBondContact O-N 3.34Å; V407-E410 PolarHBondContact O-N 3Å; E410-R413 PolarHBondContact O-N 3.24Å; E410-H414 PolarHBondContact O-N 3.48Å |
| 411 | Q | 81.4 | Confident | 80.5 | Confident | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 177.3 | -167.8 | 150.1 | -12.4 | 0 | 0 | 111.7 | V407 D408 N409 R413 H414 E415 | V407-Q411 WeakPolarHBondContact O-CB 3.42Å; V407-Q411 PolarHBondContact O-N 2.97Å; D408-Q411 PolarHBondContact O-N 3.13Å; N409-Q411 VanDerWaalsContact C-N 3.33Å; Q411-R413 VanDerWaalsContact C-N 3.31Å; Q411-R413 PolarHBondContact O-N 3.27Å; Q411-H414 WeakPolarHBondContact O-CB 3.41Å; Q411-H414 PolarHBondContact O-N 3.28Å; Q411-H414 VanDerWaalsContact O-N 3.13Å; Q411-E415 WeakPolarHBondContact O-CG 3.45Å; Q411-E415 PolarHBondContact O-N 3.44Å |
| 412 | L | 82.4 | Confident | 80.6 | Confident | 99 Ų | 99 | 101.8 Ų | 101.8 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -37.2 | 173.4 | -72.4 | 170.6 | 0 | 0 | 0 | 112.5 | D408 N409 H414 E415 L416 | D408-L412 WeakPolarHBondContact O-CB 3.41Å; D408-L412 VanDerWaalsContact O-CG 3.3Å; D408-L412 WeakPolarHBondContact O-CG 3.47Å; D408-L412 PolarHBondContact O-N 3.46Å; N409-L412 PolarHBondContact O-N 3Å; L412-H414 VanDerWaalsContact C-N 3.35Å; L412-E415 PolarHBondContact O-N 3.39Å; L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 3.33Å |
| 413 | R | 80.7 | Confident | 80.7 | Confident | 166 Ų | 166 | 100.3 Ų | 100.3 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -38.4 | 173.8 | -78.2 | 174.4 | 175.1 | 160.6 | 2.1 | 112 | N409 E410 Q411 A417 | N409-R413 WeakPolarHBondContact O-CB 3.42Å; N409-R413 VanDerWaalsContact O-CG 3.3Å; N409-R413 WeakPolarHBondContact O-CG 3.45Å; N409-R413 PolarHBondContact O-N 3.31Å; N409-R413 PolarHBondContact OD1-NE 3.47Å; N409-R413 VanDerWaalsContact OD1-NE 3.15Å; N409-R413 PolarHBondContact OD1-NH1 3.01Å; N409-R413 PolarHBondContact OD1-NH2 3.24Å; E410-R413 PolarHBondContact O-N 3.24Å; Q411-R413 VanDerWaalsContact C-N 3.31Å; Q411-R413 PolarHBondContact O-N 3.27Å; R413-A417 WeakPolarHBondContact O-CB 3.38Å; R413-A417 PolarHBondContact O-N 3.33Å |
| 414 | H | 82.8 | Confident | 80.9 | Confident | 115 Ų | 115 | 100.2 Ų | 100.2 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 176 | -169.1 | 68.9 | 0 | 0 | 0 | 111.6 | E410 Q411 L412 A417 Q418 | E410-H414 PolarHBondContact O-N 3.48Å; Q411-H414 WeakPolarHBondContact O-CB 3.41Å; Q411-H414 PolarHBondContact O-N 3.28Å; Q411-H414 VanDerWaalsContact O-N 3.13Å; L412-H414 VanDerWaalsContact C-N 3.35Å; H414-A417 WeakPolarHBondContact O-CB 3.37Å; H414-A417 PolarHBondContact O-N 2.97Å; H414-Q418 PolarHBondContact CD2-NE2 3.05Å; H414-Q418 VanDerWaalsContact CD2-NE2 3.27Å; H414-Q418 PolarHBondContact NE2-NE2 3Å; H414-Q418 WeakPolarHBondContact O-CG 3.38Å; H414-Q418 PolarHBondContact O-N 3.32Å |
| 415 | E | 83.8 | Confident | 80.9 | Confident | 94 Ų | 94 | 100 Ų | 100 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.5 | -72.6 | 175.9 | -172 | 0 | 0 | 112 | Q411 L412 A417 Q418 L419 | Q411-E415 WeakPolarHBondContact O-CG 3.45Å; Q411-E415 PolarHBondContact O-N 3.44Å; L412-E415 PolarHBondContact O-N 3.39Å; E415-A417 VanDerWaalsContact C-N 3.32Å; E415-A417 PolarHBondContact O-N 2.87Å; E415-Q418 PolarHBondContact O-N 2.77Å; E415-L419 WeakPolarHBondContact O-CG 3.32Å; E415-L419 PolarHBondContact O-N 2.94Å |
| 416 | L | 81 | Confident | 80.9 | Confident | 93 Ų | 93 | 99 Ų | 99 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 173.5 | -85.3 | 167.1 | 0 | 0 | 0 | 112.7 | L412 R420 | L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 3.33Å; L416-R420 WeakPolarHBondContact O-CB 3.42Å; L416-R420 VanDerWaalsContact O-CG 3.31Å; L416-R420 WeakPolarHBondContact O-CG 3.43Å; L416-R420 PolarHBondContact O-N 3.03Å |
| 417 | A | 82.9 | Confident | 81.3 | Confident | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R413 H414 E415 A421 | R413-A417 WeakPolarHBondContact O-CB 3.38Å; R413-A417 PolarHBondContact O-N 3.33Å; H414-A417 WeakPolarHBondContact O-CB 3.37Å; H414-A417 PolarHBondContact O-N 2.97Å; E415-A417 VanDerWaalsContact C-N 3.32Å; E415-A417 PolarHBondContact O-N 2.87Å; A417-A421 WeakPolarHBondContact O-CB 3.38Å; A417-A421 PolarHBondContact O-N 3.36Å |
| 418 | Q | 83.5 | Confident | 81.2 | Confident | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.8 | -70.4 | -175.4 | 5.4 | 0 | 0 | 111.9 | H414 E415 R420 A421 A422 | H414-Q418 PolarHBondContact CD2-NE2 3.05Å; H414-Q418 VanDerWaalsContact CD2-NE2 3.27Å; H414-Q418 PolarHBondContact NE2-NE2 3Å; H414-Q418 WeakPolarHBondContact O-CG 3.38Å; H414-Q418 PolarHBondContact O-N 3.32Å; E415-Q418 PolarHBondContact O-N 2.77Å; Q418-R420 PolarHBondContact O-N 3.49Å; Q418-A421 PolarHBondContact O-N 2.91Å; Q418-A422 WeakPolarHBondContact O-CB 3.44Å; Q418-A422 PolarHBondContact O-N 3.4Å |
| 419 | L | 85.1 | Confident | 81.1 | Confident | 119 Ų | 119 | 105.6 Ų | 105.6 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 177 | -75 | 169.8 | 0 | 0 | 0 | 112 | E415 A422 Q423 | E415-L419 WeakPolarHBondContact O-CG 3.32Å; E415-L419 PolarHBondContact O-N 2.94Å; L419-A422 PolarHBondContact O-N 3.39Å; L419-Q423 WeakPolarHBondContact O-CB 3.26Å; L419-Q423 PolarHBondContact O-N 3.01Å |
| 420 | R | 84.7 | Confident | 81.3 | Confident | 165 Ų | 165 | 107.8 Ų | 107.8 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -38.8 | 174.6 | -75.7 | 176.9 | 179.7 | 175.3 | 0.5 | 112.5 | L416 Q418 Q423 L424 | L416-R420 WeakPolarHBondContact O-CB 3.42Å; L416-R420 VanDerWaalsContact O-CG 3.31Å; L416-R420 WeakPolarHBondContact O-CG 3.43Å; L416-R420 PolarHBondContact O-N 3.03Å; Q418-R420 PolarHBondContact O-N 3.49Å; R420-Q423 PolarHBondContact O-N 2.94Å; R420-L424 WeakPolarHBondContact O-CB 3.44Å; R420-L424 WeakPolarHBondContact O-CG 3.43Å; R420-L424 PolarHBondContact O-N 3.32Å |
| 421 | A | 80.8 | Confident | 81.5 | Confident | 54 Ų | 54 | 103 Ų | 103 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A417 Q418 Q423 L424 E425 | A417-A421 WeakPolarHBondContact O-CB 3.38Å; A417-A421 PolarHBondContact O-N 3.36Å; Q418-A421 PolarHBondContact O-N 2.91Å; A421-Q423 VanDerWaalsContact C-N 3.35Å; A421-Q423 PolarHBondContact O-N 3.48Å; A421-L424 PolarHBondContact O-N 3.22Å; A421-E425 WeakPolarHBondContact O-CB 3.49Å; A421-E425 PolarHBondContact O-N 2.94Å |
| 422 | A | 81.2 | Confident | 81.5 | Confident | 60 Ų | 60 | 102.7 Ų | 102.7 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q418 L419 E425 G426 | Q418-A422 WeakPolarHBondContact O-CB 3.44Å; Q418-A422 PolarHBondContact O-N 3.4Å; L419-A422 PolarHBondContact O-N 3.39Å; A422-E425 PolarHBondContact O-N 2.88Å; A422-G426 PolarHBondContact O-N 3.28Å |
| 423 | Q | 79.1 | Confident | 81.1 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 175.2 | -172.7 | -174.4 | -17.4 | 0 | 0 | 111.7 | L419 R420 A421 E425 G426 E427 | L419-Q423 WeakPolarHBondContact O-CB 3.26Å; L419-Q423 PolarHBondContact O-N 3.01Å; R420-Q423 PolarHBondContact O-N 2.94Å; A421-Q423 VanDerWaalsContact C-N 3.35Å; A421-Q423 PolarHBondContact O-N 3.48Å; Q423-E425 VanDerWaalsContact C-N 3.3Å; Q423-E425 PolarHBondContact O-N 3.39Å; Q423-G426 CarbonylContact O-C 3.59Å; Q423-G426 WeakPolarHBondContact O-CA 3.22Å; Q423-G426 PolarHBondContact O-N 3.13Å; Q423-G426 VanDerWaalsContact O-N 3.16Å; Q423-E427 PolarHBondContact NE2-OE1 3.2Å; Q423-E427 WeakPolarHBondContact O-CG 3.27Å; Q423-E427 PolarHBondContact O-N 2.89Å |
| 424 | L | 81.4 | Confident | 81.2 | Confident | 113 Ų | 113 | 103.6 Ų | 103.6 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -38.5 | 176 | -80 | 161.9 | 0 | 0 | 0 | 112.2 | R420 A421 R428 | R420-L424 WeakPolarHBondContact O-CB 3.44Å; R420-L424 WeakPolarHBondContact O-CG 3.43Å; R420-L424 PolarHBondContact O-N 3.32Å; A421-L424 PolarHBondContact O-N 3.22Å; L424-R428 VanDerWaalsContact O-CB 3.28Å; L424-R428 WeakPolarHBondContact O-CB 3.39Å; L424-R428 PolarHBondContact O-N 3.05Å |
| 425 | E | 79.1 | Confident | 81.2 | Confident | 138 Ų | 138 | 102.1 Ų | 102.1 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.9 | -35.8 | 175.9 | -166.6 | 165.7 | -159.5 | 0 | 0 | 111.9 | A421 A422 Q423 S429 | A421-E425 WeakPolarHBondContact O-CB 3.49Å; A421-E425 PolarHBondContact O-N 2.94Å; A422-E425 PolarHBondContact O-N 2.88Å; Q423-E425 VanDerWaalsContact C-N 3.3Å; Q423-E425 PolarHBondContact O-N 3.39Å; E425-S429 WeakPolarHBondContact O-CB 3.29Å; E425-S429 PolarHBondContact O-N 2.87Å; E425-S429 PolarHBondContact O-OG 2.84Å |
| 426 | G | 78.9 | Confident | 81.1 | Confident | 37 Ų | 37 | 100.4 Ų | 100.4 | 38% | 0.381 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A422 Q423 R428 S429 Q430 | A422-G426 PolarHBondContact O-N 3.28Å; Q423-G426 CarbonylContact O-C 3.59Å; Q423-G426 WeakPolarHBondContact O-CA 3.22Å; Q423-G426 PolarHBondContact O-N 3.13Å; Q423-G426 VanDerWaalsContact O-N 3.16Å; G426-R428 VanDerWaalsContact C-N 3.34Å; G426-R428 PolarHBondContact O-N 3.44Å; G426-S429 PolarHBondContact O-N 3.25Å; G426-Q430 WeakPolarHBondContact O-CB 3.18Å; G426-Q430 PolarHBondContact O-N 3.11Å |
| 427 | E | 82.8 | Confident | 81.1 | Confident | 102 Ų | 102 | 102.2 Ų | 102.2 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.7 | -73.5 | 171.6 | -170.4 | 0 | 0 | 111.5 | Q423 Q430 G431 | Q423-E427 PolarHBondContact NE2-OE1 3.2Å; Q423-E427 WeakPolarHBondContact O-CG 3.27Å; Q423-E427 PolarHBondContact O-N 2.89Å; E427-Q430 PolarHBondContact O-N 3Å; E427-G431 PolarHBondContact O-N 3.39Å |
| 428 | R | 80.7 | Confident | 81.3 | Confident | 192 Ų | 192 | 107.5 Ų | 107.5 | 73% | 0.725 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 174.9 | -173.2 | 178.3 | -178.1 | 175.9 | 0.8 | 111.9 | L424 G426 Q430 G431 L432 | L424-R428 VanDerWaalsContact O-CB 3.28Å; L424-R428 WeakPolarHBondContact O-CB 3.39Å; L424-R428 PolarHBondContact O-N 3.05Å; G426-R428 VanDerWaalsContact C-N 3.34Å; G426-R428 PolarHBondContact O-N 3.44Å; R428-Q430 VanDerWaalsContact C-N 3.35Å; R428-G431 PolarHBondContact O-N 3.39Å; R428-L432 WeakPolarHBondContact O-CG 3.14Å; R428-L432 PolarHBondContact O-N 3.27Å; R428-L432 VanDerWaalsContact O-N 3.08Å |
| 429 | S | 78.6 | Confident | 81.4 | Confident | 70 Ų | 70 | 108 Ų | 108 | 49% | 0.49 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | E425 G426 R433 | E425-S429 WeakPolarHBondContact O-CB 3.29Å; E425-S429 PolarHBondContact O-N 2.87Å; E425-S429 PolarHBondContact O-OG 2.84Å; G426-S429 PolarHBondContact O-N 3.25Å; S429-R433 PolarHBondContact O-N 3.34Å; S429-R433 VanDerWaalsContact O-N 3.1Å |
| 430 | Q | 79.5 | Confident | 81.3 | Confident | 114 Ų | 114 | 105.2 Ų | 105.2 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 174.5 | -175.8 | 172.7 | -11.2 | 0 | 0 | 111.6 | G426 E427 R428 L432 R433 E434 | G426-Q430 WeakPolarHBondContact O-CB 3.18Å; G426-Q430 PolarHBondContact O-N 3.11Å; E427-Q430 PolarHBondContact O-N 3Å; R428-Q430 VanDerWaalsContact C-N 3.35Å; Q430-L432 VanDerWaalsContact C-N 3.33Å; Q430-L432 PolarHBondContact O-N 3.14Å; Q430-R433 WeakPolarHBondContact O-CA 3.2Å; Q430-R433 WeakPolarHBondContact O-CB 3.27Å; Q430-R433 PolarHBondContact O-N 3Å; Q430-E434 PolarHBondContact NE2-OE1 3.26Å; Q430-E434 WeakPolarHBondContact O-CG 3.41Å; Q430-E434 PolarHBondContact O-N 3.01Å |
| 431 | G | 82.1 | Confident | 81.4 | Confident | 33 Ų | 33 | 100.8 Ų | 100.8 | 34% | 0.34 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E427 R428 R433 E434 E435 | E427-G431 PolarHBondContact O-N 3.39Å; R428-G431 PolarHBondContact O-N 3.39Å; G431-R433 VanDerWaalsContact C-N 3.32Å; G431-R433 PolarHBondContact O-N 3.28Å; G431-E434 PolarHBondContact O-N 3.34Å; G431-E435 WeakPolarHBondContact O-CB 3.35Å; G431-E435 PolarHBondContact O-N 3.22Å |
| 432 | L | 81.5 | Confident | 81.7 | Confident | 106 Ų | 106 | 100.5 Ų | 100.5 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -37.2 | 173.3 | -72.4 | 171.4 | 0 | 0 | 0 | 112.2 | R428 Q430 A436 | R428-L432 WeakPolarHBondContact O-CG 3.14Å; R428-L432 PolarHBondContact O-N 3.27Å; R428-L432 VanDerWaalsContact O-N 3.08Å; Q430-L432 VanDerWaalsContact C-N 3.33Å; Q430-L432 PolarHBondContact O-N 3.14Å; L432-A436 WeakPolarHBondContact O-CB 3.3Å; L432-A436 PolarHBondContact O-N 3.18Å |
| 433 | R | 73.6 | Confident | 81.7 | Confident | 194 Ų | 194 | 102 Ų | 102 | 73% | 0.732 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.7 | -44.3 | 177.2 | -169 | 175.4 | 179.7 | 155 | -0.3 | 111.6 | S429 Q430 G431 E435 A436 E437 | S429-R433 PolarHBondContact O-N 3.34Å; S429-R433 VanDerWaalsContact O-N 3.1Å; Q430-R433 WeakPolarHBondContact O-CA 3.2Å; Q430-R433 WeakPolarHBondContact O-CB 3.27Å; Q430-R433 PolarHBondContact O-N 3Å; G431-R433 VanDerWaalsContact C-N 3.32Å; G431-R433 PolarHBondContact O-N 3.28Å; R433-E435 VanDerWaalsContact C-N 3.34Å; R433-E435 PolarHBondContact O-N 2.84Å; R433-A436 PolarHBondContact O-N 2.9Å; R433-E437 WeakPolarHBondContact O-CB 3.17Å; R433-E437 PolarHBondContact O-N 3.15Å |
| 434 | E | 83.1 | Confident | 82.1 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 175.6 | -71.5 | 175.4 | -168.3 | 0 | 0 | 111.9 | Q430 G431 E437 R438 | Q430-E434 PolarHBondContact NE2-OE1 3.26Å; Q430-E434 WeakPolarHBondContact O-CG 3.41Å; Q430-E434 PolarHBondContact O-N 3.01Å; G431-E434 PolarHBondContact O-N 3.34Å; E434-E437 PolarHBondContact O-N 3.44Å; E434-R438 VanDerWaalsContact O-CB 3.32Å; E434-R438 WeakPolarHBondContact O-CB 3.48Å; E434-R438 PolarHBondContact O-N 3.09Å |
| 435 | E | 83 | Confident | 82.3 | Confident | 85 Ų | 85 | 99.6 Ų | 99.6 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 175.2 | -163.2 | -170.1 | 151.9 | 0 | 0 | 111.9 | G431 R433 R438 K439 | G431-E435 WeakPolarHBondContact O-CB 3.35Å; G431-E435 PolarHBondContact O-N 3.22Å; R433-E435 VanDerWaalsContact C-N 3.34Å; R433-E435 PolarHBondContact O-N 2.84Å; E435-R438 PolarHBondContact O-N 2.76Å; E435-K439 WeakPolarHBondContact O-CG 3.2Å; E435-K439 PolarHBondContact O-N 3.22Å; E435-K439 VanDerWaalsContact OE1-CE 3.26Å; E435-K439 WeakPolarHBondContact OE1-CE 3.45Å; E435-K439 IonicContact OE1-NZ 3.87Å; E435-K439 PolarHBondContact OE1-NZ 3.27Å |
| 436 | A | 79.8 | Confident | 82.7 | Confident | 57 Ų | 57 | 102.5 Ų | 102.5 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L432 R433 K439 A440 | L432-A436 WeakPolarHBondContact O-CB 3.3Å; L432-A436 PolarHBondContact O-N 3.18Å; R433-A436 PolarHBondContact O-N 2.9Å; A436-K439 PolarHBondContact O-N 3.1Å; A436-A440 WeakPolarHBondContact O-CB 3.49Å; A436-A440 PolarHBondContact O-N 3.18Å |
| 437 | E | 81.3 | Confident | 83.2 | Confident | 131 Ų | 131 | 108.3 Ų | 108.3 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 176.8 | -171.9 | 169.2 | -167.6 | 0 | 0 | 111.8 | R433 E434 K439 A440 S441 | R433-E437 WeakPolarHBondContact O-CB 3.17Å; R433-E437 PolarHBondContact O-N 3.15Å; E434-E437 PolarHBondContact O-N 3.44Å; E437-K439 VanDerWaalsContact C-N 3.33Å; E437-K439 PolarHBondContact O-N 3.44Å; E437-A440 PolarHBondContact O-N 2.94Å; E437-S441 WeakPolarHBondContact O-CB 3.45Å; E437-S441 PolarHBondContact O-N 3.29Å |
| 438 | R | 87.7 | Confident | 83.3 | Confident | 169 Ų | 169 | 106.9 Ų | 106.9 | 64% | 0.638 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 174.5 | -160.9 | -174.9 | -66.7 | 129.2 | -0.8 | 111.6 | E434 E435 A442 | E434-R438 VanDerWaalsContact O-CB 3.32Å; E434-R438 WeakPolarHBondContact O-CB 3.48Å; E434-R438 PolarHBondContact O-N 3.09Å; E435-R438 PolarHBondContact O-N 2.76Å; R438-A442 VanDerWaalsContact O-CB 3.3Å; R438-A442 WeakPolarHBondContact O-CB 3.17Å; R438-A442 PolarHBondContact O-N 2.72Å |
| 439 | K | 86.1 | Confident | 83.7 | Confident | 124 Ų | 124 | 104.4 Ų | 104.4 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 173.9 | -75.7 | 174.5 | -174 | 163.9 | 0 | 111.8 | E435 A436 E437 A442 T443 | E435-K439 WeakPolarHBondContact O-CG 3.2Å; E435-K439 PolarHBondContact O-N 3.22Å; E435-K439 VanDerWaalsContact OE1-CE 3.26Å; E435-K439 WeakPolarHBondContact OE1-CE 3.45Å; E435-K439 IonicContact OE1-NZ 3.87Å; E435-K439 PolarHBondContact OE1-NZ 3.27Å; A436-K439 PolarHBondContact O-N 3.1Å; E437-K439 VanDerWaalsContact C-N 3.33Å; E437-K439 PolarHBondContact O-N 3.44Å; K439-A442 PolarHBondContact O-N 3.09Å; K439-T443 WeakPolarHBondContact O-CB 3.45Å; K439-T443 PolarHBondContact O-N 3.36Å; K439-T443 PolarHBondContact O-OG1 3.33Å |
| 440 | A | 82.1 | Confident | 84.2 | Confident | 59 Ų | 59 | 106.7 Ų | 106.7 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A436 E437 A442 T443 E444 | A436-A440 WeakPolarHBondContact O-CB 3.49Å; A436-A440 PolarHBondContact O-N 3.18Å; E437-A440 PolarHBondContact O-N 2.94Å; A440-A442 PolarHBondContact O-N 3.3Å; A440-T443 WeakPolarHBondContact O-CB 3.34Å; A440-T443 PolarHBondContact O-N 3.36Å; A440-E444 PolarHBondContact O-N 2.94Å |
| 441 | S | 87.2 | Confident | 84.6 | Confident | 72 Ų | 72 | 107.5 Ų | 107.5 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 177.2 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | E437 T443 E444 A445 | E437-S441 WeakPolarHBondContact O-CB 3.45Å; E437-S441 PolarHBondContact O-N 3.29Å; S441-T443 VanDerWaalsContact C-N 3.28Å; S441-T443 PolarHBondContact O-N 2.92Å; S441-E444 PolarHBondContact O-N 3.44Å; S441-A445 WeakPolarHBondContact O-CB 3.47Å; S441-A445 PolarHBondContact O-N 3.24Å |
| 442 | A | 86.3 | Confident | 85 | Confident | 48 Ų | 48 | 111.7 Ų | 111.7 | 40% | 0.397 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R438 K439 A440 R446 | R438-A442 VanDerWaalsContact O-CB 3.3Å; R438-A442 WeakPolarHBondContact O-CB 3.17Å; R438-A442 PolarHBondContact O-N 2.72Å; K439-A442 PolarHBondContact O-N 3.09Å; A440-A442 PolarHBondContact O-N 3.3Å; A442-R446 VanDerWaalsContact O-CG 3.31Å; A442-R446 WeakPolarHBondContact O-CG 3.34Å; A442-R446 PolarHBondContact O-N 2.6Å; A442-R446 VanDerWaalsContact O-N 3.12Å |
| 443 | T | 81.7 | Confident | 85.3 | Confident | 92 Ų | 92 | 112 Ų | 112 | 56% | 0.564 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.7 | -41.1 | 176.8 | -53.3 | 0 | 0 | 0 | 0 | 111 | K439 A440 S441 R446 Y447 | K439-T443 WeakPolarHBondContact O-CB 3.45Å; K439-T443 PolarHBondContact O-N 3.36Å; K439-T443 PolarHBondContact O-OG1 3.33Å; A440-T443 WeakPolarHBondContact O-CB 3.34Å; A440-T443 PolarHBondContact O-N 3.36Å; S441-T443 VanDerWaalsContact C-N 3.28Å; S441-T443 PolarHBondContact O-N 2.92Å; T443-R446 PolarHBondContact O-N 2.89Å; T443-Y447 PolarHBondContact O-N 3.5Å |
| 444 | E | 87.1 | Confident | 85.8 | Confident | 122 Ų | 122 | 108.7 Ų | 108.7 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 174.7 | -170.2 | 177.4 | -174.6 | 0 | 0 | 111.8 | A440 S441 R446 Y447 N448 | A440-E444 PolarHBondContact O-N 2.94Å; S441-E444 PolarHBondContact O-N 3.44Å; E444-R446 VanDerWaalsContact C-N 3.34Å; E444-R446 PolarHBondContact O-N 3.13Å; E444-Y447 PolarHBondContact O-N 2.88Å; E444-N448 WeakPolarHBondContact O-CB 3.3Å; E444-N448 PolarHBondContact O-N 2.63Å |
| 445 | A | 86.9 | Confident | 85.9 | Confident | 58 Ų | 58 | 108.2 Ų | 108.2 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S441 K449 | S441-A445 WeakPolarHBondContact O-CB 3.47Å; S441-A445 PolarHBondContact O-N 3.24Å; A445-K449 WeakPolarHBondContact O-CB 3.16Å; A445-K449 PolarHBondContact O-N 3.47Å |
| 446 | R | 87.9 | Confident | 86.1 | Confident | 198 Ų | 198 | 108.6 Ų | 108.6 | 75% | 0.747 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 174.3 | -74.5 | 175.8 | -175.7 | -151.8 | 2 | 111.9 | A442 T443 E444 K449 L450 | A442-R446 VanDerWaalsContact O-CG 3.31Å; A442-R446 WeakPolarHBondContact O-CG 3.34Å; A442-R446 PolarHBondContact O-N 2.6Å; A442-R446 VanDerWaalsContact O-N 3.12Å; T443-R446 PolarHBondContact O-N 2.89Å; E444-R446 VanDerWaalsContact C-N 3.34Å; E444-R446 PolarHBondContact O-N 3.13Å; R446-K449 PolarHBondContact O-N 3.4Å; R446-L450 WeakPolarHBondContact O-CB 3.44Å; R446-L450 PolarHBondContact O-N 3.42Å |
| 447 | Y | 88.7 | Confident | 86.5 | Confident | 159 Ų | 159 | 111.5 Ų | 111.5 | 62% | 0.624 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.9 | -44.6 | 176.9 | -177.7 | -95.4 | 0 | 0 | 0 | 111.6 | T443 E444 K449 L450 K451 | T443-Y447 PolarHBondContact O-N 3.5Å; E444-Y447 PolarHBondContact O-N 2.88Å; Y447-K449 PolarHBondContact O-N 3.24Å; Y447-L450 PolarHBondContact O-N 2.71Å; Y447-K451 WeakPolarHBondContact O-CB 3.49Å; Y447-K451 PolarHBondContact O-N 2.85Å |
| 448 | N | 85.7 | Confident | 86.8 | Confident | 72 Ų | 72 | 109.1 Ų | 109.1 | 39% | 0.385 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.9 | -76.5 | -25.7 | 0 | 0 | 0 | 111.9 | E444 L450 K451 E452 | E444-N448 WeakPolarHBondContact O-CB 3.3Å; E444-N448 PolarHBondContact O-N 2.63Å; N448-L450 VanDerWaalsContact C-N 3.31Å; N448-L450 PolarHBondContact O-N 2.9Å; N448-K451 WeakPolarHBondContact O-CB 3.49Å; N448-K451 PolarHBondContact O-N 3.4Å; N448-E452 PolarHBondContact O-N 3.34Å |
| 449 | K | 88.8 | Confident | 86.8 | Confident | 140 Ų | 140 | 106.2 Ų | 106.2 | 61% | 0.609 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 175.3 | -165.5 | 171.6 | -173 | 173.6 | 0 | 112.4 | A445 R446 Y447 K453 | A445-K449 WeakPolarHBondContact O-CB 3.16Å; A445-K449 PolarHBondContact O-N 3.47Å; R446-K449 PolarHBondContact O-N 3.4Å; Y447-K449 PolarHBondContact O-N 3.24Å; K449-K453 VanDerWaalsContact O-CG 3.29Å; K449-K453 WeakPolarHBondContact O-CG 3.46Å; K449-K453 PolarHBondContact O-N 3.08Å |
| 450 | L | 88.4 | Confident | 86.8 | Confident | 118 Ų | 118 | 103.5 Ų | 103.5 | 62% | 0.618 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.9 | -40.4 | 174.7 | -174.1 | 64.6 | 0 | 0 | 0 | 111.5 | R446 Y447 N448 K453 H454 | R446-L450 WeakPolarHBondContact O-CB 3.44Å; R446-L450 PolarHBondContact O-N 3.42Å; Y447-L450 PolarHBondContact O-N 2.71Å; N448-L450 VanDerWaalsContact C-N 3.31Å; N448-L450 PolarHBondContact O-N 2.9Å; L450-K453 PolarHBondContact O-N 3.35Å; L450-H454 WeakPolarHBondContact O-CB 3Å; L450-H454 PolarHBondContact O-N 3.28Å |
| 451 | K | 87.9 | Confident | 86.9 | Confident | 131 Ų | 131 | 106.2 Ų | 106.2 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 175.5 | -175.1 | -176.9 | 177.2 | -175.4 | 0 | 111.6 | Y447 N448 H454 S455 | Y447-K451 WeakPolarHBondContact O-CB 3.49Å; Y447-K451 PolarHBondContact O-N 2.85Å; N448-K451 WeakPolarHBondContact O-CB 3.49Å; N448-K451 PolarHBondContact O-N 3.4Å; K451-H454 PolarHBondContact O-N 3.49Å; K451-S455 WeakPolarHBondContact O-CB 3.39Å; K451-S455 PolarHBondContact O-N 3.13Å |
| 452 | E | 90.3 | Very high | 86.7 | Confident | 122 Ų | 122 | 104.6 Ų | 104.6 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.3 | -49.3 | 172.8 | -77.5 | 177 | 172 | 0 | 0 | 111.2 | N448 H454 S455 E456 | N448-E452 PolarHBondContact O-N 3.34Å; E452-H454 VanDerWaalsContact C-N 3.29Å; E452-H454 PolarHBondContact O-N 3.28Å; E452-S455 CarbonylContact O-C 3.6Å; E452-S455 WeakPolarHBondContact O-CB 3.15Å; E452-S455 PolarHBondContact O-N 2.89Å; E452-S455 VanDerWaalsContact O-N 3.1Å; E452-E456 WeakPolarHBondContact O-CG 3.46Å; E452-E456 PolarHBondContact O-N 3.42Å |
| 453 | K | 87.6 | Confident | 86.6 | Confident | 113 Ų | 113 | 106.4 Ų | 106.4 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 177.2 | -71.8 | -72.7 | 157.9 | -150.1 | 0 | 112.7 | K449 L450 E456 L457 | K449-K453 VanDerWaalsContact O-CG 3.29Å; K449-K453 WeakPolarHBondContact O-CG 3.46Å; K449-K453 PolarHBondContact O-N 3.08Å; L450-K453 PolarHBondContact O-N 3.35Å; K453-E456 WeakPolarHBondContact CD-OE2 3.44Å; K453-E456 IonicContact NZ-OE1 2.71Å; K453-E456 IonicContact NZ-OE2 3.7Å; K453-E456 PolarHBondContact NZ-OE2 3.42Å; K453-L457 WeakPolarHBondContact O-CB 3.34Å; K453-L457 PolarHBondContact O-N 3.29Å |
| 454 | H | 84.9 | Confident | 86.8 | Confident | 124 Ų | 124 | 107 Ų | 107 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.3 | -43.4 | 173.9 | -175.1 | 69.5 | 0 | 0 | 0 | 111.3 | L450 K451 E452 L457 V458 | L450-H454 WeakPolarHBondContact O-CB 3Å; L450-H454 PolarHBondContact O-N 3.28Å; K451-H454 PolarHBondContact O-N 3.49Å; E452-H454 VanDerWaalsContact C-N 3.29Å; E452-H454 PolarHBondContact O-N 3.28Å; H454-L457 PolarHBondContact O-N 2.87Å; H454-V458 VanDerWaalsContact O-CG2 3.28Å; H454-V458 WeakPolarHBondContact O-CG2 3.29Å; H454-V458 PolarHBondContact O-N 3.17Å |
| 455 | S | 85.2 | Confident | 86.6 | Confident | 78 Ų | 78 | 106 Ų | 106 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 176.1 | -168.6 | 0 | 0 | 0 | 0 | 112.4 | K451 E452 V458 H459 | K451-S455 WeakPolarHBondContact O-CB 3.39Å; K451-S455 PolarHBondContact O-N 3.13Å; E452-S455 CarbonylContact O-C 3.6Å; E452-S455 WeakPolarHBondContact O-CB 3.15Å; E452-S455 PolarHBondContact O-N 2.89Å; E452-S455 VanDerWaalsContact O-N 3.1Å; S455-V458 PolarHBondContact O-N 3.21Å; S455-H459 WeakPolarHBondContact O-CB 3.37Å; S455-H459 PolarHBondContact O-N 2.86Å |
| 456 | E | 87.6 | Confident | 86.5 | Confident | 94 Ų | 94 | 111.3 Ų | 111.3 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 172.9 | -75 | 175 | -174.4 | 0 | 0 | 110.8 | E452 K453 V458 H459 V460 | E452-E456 WeakPolarHBondContact O-CG 3.46Å; E452-E456 PolarHBondContact O-N 3.42Å; K453-E456 WeakPolarHBondContact CD-OE2 3.44Å; K453-E456 IonicContact NZ-OE1 2.71Å; K453-E456 IonicContact NZ-OE2 3.7Å; K453-E456 PolarHBondContact NZ-OE2 3.42Å; E456-V458 PolarHBondContact O-N 3.21Å; E456-H459 WeakPolarHBondContact O-CB 3.47Å; E456-H459 PolarHBondContact O-N 3.29Å; E456-V460 WeakPolarHBondContact O-CB 3.5Å; E456-V460 WeakPolarHBondContact O-CG2 3.34Å; E456-V460 PolarHBondContact O-N 3.47Å |
| 457 | L | 87.9 | Confident | 86.3 | Confident | 118 Ų | 118 | 108.4 Ų | 108.4 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 179.4 | -167.4 | 72.4 | 0 | 0 | 0 | 111.8 | K453 H454 H459 V460 H461 | K453-L457 WeakPolarHBondContact O-CB 3.34Å; K453-L457 PolarHBondContact O-N 3.29Å; H454-L457 PolarHBondContact O-N 2.87Å; L457-H459 VanDerWaalsContact C-N 3.32Å; L457-V460 PolarHBondContact O-N 2.99Å; L457-H461 VanDerWaalsContact O-CB 3.26Å; L457-H461 WeakPolarHBondContact O-CB 3.48Å; L457-H461 PolarHBondContact O-N 3.28Å |
| 458 | V | 86.6 | Confident | 85.9 | Confident | 80 Ų | 80 | 106 Ų | 106 | 49% | 0.485 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -42 | 173.9 | 170 | 0 | 0 | 0 | 0 | 110.7 | H454 S455 E456 H461 A462 | H454-V458 VanDerWaalsContact O-CG2 3.28Å; H454-V458 WeakPolarHBondContact O-CG2 3.29Å; H454-V458 PolarHBondContact O-N 3.17Å; S455-V458 PolarHBondContact O-N 3.21Å; E456-V458 PolarHBondContact O-N 3.21Å; V458-H461 PolarHBondContact O-N 2.94Å; V458-A462 WeakPolarHBondContact O-CB 3.46Å; V458-A462 PolarHBondContact O-N 3.3Å |
| 459 | H | 87.4 | Confident | 85.6 | Confident | 108 Ų | 108 | 105 Ų | 105 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -49.2 | 177.1 | -171.2 | 71.1 | 0 | 0 | 0 | 111.9 | S455 E456 L457 H461 A462 E463 | S455-H459 WeakPolarHBondContact O-CB 3.37Å; S455-H459 PolarHBondContact O-N 2.86Å; E456-H459 WeakPolarHBondContact O-CB 3.47Å; E456-H459 PolarHBondContact O-N 3.29Å; L457-H459 VanDerWaalsContact C-N 3.32Å; H459-H461 VanDerWaalsContact C-N 3.31Å; H459-H461 PolarHBondContact O-N 2.92Å; H459-A462 WeakPolarHBondContact O-CB 3.48Å; H459-A462 PolarHBondContact O-N 3.32Å; H459-A462 VanDerWaalsContact O-N 3.15Å; H459-E463 IonicContact NE2-OE1 3.71Å; H459-E463 PolarHBondContact NE2-OE1 3.37Å; H459-E463 WeakPolarHBondContact O-CG 3.4Å; H459-E463 PolarHBondContact O-N 2.95Å |
| 460 | V | 86.3 | Confident | 85.4 | Confident | 68 Ų | 68 | 102.2 Ų | 102.2 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | E456 L457 E463 L464 | E456-V460 WeakPolarHBondContact O-CB 3.5Å; E456-V460 WeakPolarHBondContact O-CG2 3.34Å; E456-V460 PolarHBondContact O-N 3.47Å; L457-V460 PolarHBondContact O-N 2.99Å; V460-E463 PolarHBondContact O-N 3.19Å; V460-L464 HydrophobicContact CG1-CD1 3.89Å; V460-L464 HydrophobicContact CG1-CG 4.35Å; V460-L464 WeakPolarHBondContact O-CB 3.42Å; V460-L464 WeakPolarHBondContact O-CG 3.37Å; V460-L464 PolarHBondContact O-N 3.33Å |
| 461 | H | 84 | Confident | 84.9 | Confident | 116 Ų | 116 | 100.6 Ų | 100.6 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 175.5 | -173.8 | 64.7 | 0 | 0 | 0 | 111.7 | L457 V458 H459 L464 L465 | L457-H461 VanDerWaalsContact O-CB 3.26Å; L457-H461 WeakPolarHBondContact O-CB 3.48Å; L457-H461 PolarHBondContact O-N 3.28Å; V458-H461 PolarHBondContact O-N 2.94Å; H459-H461 VanDerWaalsContact C-N 3.31Å; H459-H461 PolarHBondContact O-N 2.92Å; H461-L464 PolarHBondContact O-N 2.76Å; H461-L465 WeakPolarHBondContact O-CG 3.45Å; H461-L465 PolarHBondContact O-N 3.19Å |
| 462 | A | 83.9 | Confident | 84.4 | Confident | 38 Ų | 38 | 96.9 Ų | 96.9 | 31% | 0.314 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V458 H459 L465 R466 | V458-A462 WeakPolarHBondContact O-CB 3.46Å; V458-A462 PolarHBondContact O-N 3.3Å; H459-A462 WeakPolarHBondContact O-CB 3.48Å; H459-A462 PolarHBondContact O-N 3.32Å; H459-A462 VanDerWaalsContact O-N 3.15Å; A462-L465 PolarHBondContact O-N 2.87Å; A462-R466 WeakPolarHBondContact O-CG 3.24Å; A462-R466 PolarHBondContact O-N 3.15Å |
| 463 | E | 84.3 | Confident | 84 | Confident | 85 Ų | 85 | 97.5 Ų | 97.5 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.7 | -73.2 | -167.3 | 149.3 | 0 | 0 | 112.6 | H459 V460 L465 R466 K467 | H459-E463 IonicContact NE2-OE1 3.71Å; H459-E463 PolarHBondContact NE2-OE1 3.37Å; H459-E463 WeakPolarHBondContact O-CG 3.4Å; H459-E463 PolarHBondContact O-N 2.95Å; V460-E463 PolarHBondContact O-N 3.19Å; E463-L465 VanDerWaalsContact C-N 3.33Å; E463-L465 PolarHBondContact O-N 2.81Å; E463-R466 PolarHBondContact O-N 3.21Å; E463-K467 PolarHBondContact O-N 2.86Å |
| 464 | L | 85.9 | Confident | 83.6 | Confident | 104 Ų | 104 | 98.4 Ų | 98.4 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 175.5 | -78.5 | 169.6 | 0 | 0 | 0 | 111.6 | V460 H461 K467 N468 | V460-L464 HydrophobicContact CG1-CD1 3.89Å; V460-L464 HydrophobicContact CG1-CG 4.35Å; V460-L464 WeakPolarHBondContact O-CB 3.42Å; V460-L464 WeakPolarHBondContact O-CG 3.37Å; V460-L464 PolarHBondContact O-N 3.33Å; H461-L464 PolarHBondContact O-N 2.76Å; L464-K467 PolarHBondContact O-N 3.19Å; L464-N468 VanDerWaalsContact O-CB 3.28Å; L464-N468 WeakPolarHBondContact O-CB 3.38Å; L464-N468 PolarHBondContact O-N 3.18Å |
| 465 | L | 81.9 | Confident | 83.2 | Confident | 101 Ų | 101 | 97.7 Ų | 97.7 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 173.2 | -75.8 | 172.2 | 0 | 0 | 0 | 111.8 | H461 A462 E463 N468 A469 | H461-L465 WeakPolarHBondContact O-CG 3.45Å; H461-L465 PolarHBondContact O-N 3.19Å; A462-L465 PolarHBondContact O-N 2.87Å; E463-L465 VanDerWaalsContact C-N 3.33Å; E463-L465 PolarHBondContact O-N 2.81Å; L465-N468 PolarHBondContact O-N 3.02Å; L465-A469 PolarHBondContact O-N 3.4Å |
| 466 | R | 85.3 | Confident | 82.8 | Confident | 170 Ų | 170 | 97.5 Ų | 97.5 | 64% | 0.642 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -48.8 | 174.3 | -73.4 | -179.2 | -169.8 | 152.3 | 2.3 | 111.7 | A462 E463 N468 A469 D470 | A462-R466 WeakPolarHBondContact O-CG 3.24Å; A462-R466 PolarHBondContact O-N 3.15Å; E463-R466 PolarHBondContact O-N 3.21Å; R466-N468 VanDerWaalsContact C-N 3.31Å; R466-N468 PolarHBondContact O-N 3.37Å; R466-A469 WeakPolarHBondContact O-CB 3.33Å; R466-A469 PolarHBondContact O-N 3.5Å; R466-A469 VanDerWaalsContact O-N 3.13Å; R466-D470 PolarHBondContact O-N 3.13Å |
| 467 | K | 83.1 | Confident | 82.5 | Confident | 137 Ų | 137 | 97.5 Ų | 97.5 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -39.1 | 176.9 | -79.9 | -175.3 | 176.9 | 172.3 | 0 | 112.2 | E463 L464 A469 D470 T471 | E463-K467 PolarHBondContact O-N 2.86Å; L464-K467 PolarHBondContact O-N 3.19Å; K467-A469 VanDerWaalsContact C-N 3.34Å; K467-D470 PolarHBondContact O-N 2.97Å; K467-T471 WeakPolarHBondContact O-CB 3.3Å; K467-T471 PolarHBondContact O-N 3.29Å; K467-T471 PolarHBondContact O-OG1 3.09Å |
| 468 | N | 80.3 | Confident | 81.9 | Confident | 109 Ų | 109 | 95.5 Ų | 95.5 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -40.6 | 176.3 | -164.5 | 5.6 | 0 | 0 | 0 | 111.1 | L464 L465 R466 T471 A472 | L464-N468 VanDerWaalsContact O-CB 3.28Å; L464-N468 WeakPolarHBondContact O-CB 3.38Å; L464-N468 PolarHBondContact O-N 3.18Å; L465-N468 PolarHBondContact O-N 3.02Å; R466-N468 VanDerWaalsContact C-N 3.31Å; R466-N468 PolarHBondContact O-N 3.37Å; N468-T471 PolarHBondContact O-N 3.25Å; N468-A472 WeakPolarHBondContact O-CB 3.47Å; N468-A472 PolarHBondContact O-N 2.81Å |
| 469 | A | 81.1 | Confident | 81.2 | Confident | 50 Ų | 50 | 96.9 Ų | 96.9 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | L465 R466 K467 A472 K473 | L465-A469 PolarHBondContact O-N 3.4Å; R466-A469 WeakPolarHBondContact O-CB 3.33Å; R466-A469 PolarHBondContact O-N 3.5Å; R466-A469 VanDerWaalsContact O-N 3.13Å; K467-A469 VanDerWaalsContact C-N 3.34Å; A469-A472 PolarHBondContact O-N 2.92Å; A469-K473 WeakPolarHBondContact O-CG 3.32Å; A469-K473 PolarHBondContact O-N 2.98Å; A469-K473 VanDerWaalsContact O-N 3.09Å |
| 470 | D | 83.6 | Confident | 80.7 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.4 | -40.4 | 177.3 | -68.8 | -26.5 | 0 | 0 | 0 | 111.9 | R466 K467 A472 K473 Q474 | R466-D470 PolarHBondContact O-N 3.13Å; K467-D470 PolarHBondContact O-N 2.97Å; D470-A472 VanDerWaalsContact C-N 3.34Å; D470-A472 PolarHBondContact O-N 3.2Å; D470-K473 PolarHBondContact O-N 3.45Å; D470-Q474 WeakPolarHBondContact O-CG 3.48Å; D470-Q474 PolarHBondContact O-N 3.02Å |
| 471 | T | 78.1 | Confident | 80.2 | Confident | 83 Ų | 83 | 96.9 Ų | 96.9 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 173.8 | -41.3 | 0 | 0 | 0 | 0 | 110.9 | K467 N468 K473 Q474 L475 | K467-T471 WeakPolarHBondContact O-CB 3.3Å; K467-T471 PolarHBondContact O-N 3.29Å; K467-T471 PolarHBondContact O-OG1 3.09Å; N468-T471 PolarHBondContact O-N 3.25Å; T471-K473 VanDerWaalsContact C-N 3.35Å; T471-K473 PolarHBondContact O-N 2.74Å; T471-Q474 PolarHBondContact O-N 3.18Å; T471-L475 WeakPolarHBondContact O-CB 3.35Å; T471-L475 PolarHBondContact O-N 3.31Å |
| 472 | A | 77.1 | Confident | 79.6 | Confident | 53 Ų | 53 | 98 Ų | 98 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N468 A469 D470 L475 T476 | N468-A472 WeakPolarHBondContact O-CB 3.47Å; N468-A472 PolarHBondContact O-N 2.81Å; A469-A472 PolarHBondContact O-N 2.92Å; D470-A472 VanDerWaalsContact C-N 3.34Å; D470-A472 PolarHBondContact O-N 3.2Å; A472-L475 PolarHBondContact O-N 3.25Å; A472-T476 PolarHBondContact O-N 3.47Å; A472-T476 VanDerWaalsContact O-N 3.16Å; A472-T476 PolarHBondContact O-OG1 3.39Å |
| 473 | K | 82 | Confident | 79.2 | Confident | 136 Ų | 136 | 103.2 Ų | 103.2 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 172.9 | -75.5 | 176.8 | -178.3 | 172.5 | 0 | 112.3 | A469 D470 T471 L475 T476 V477 | A469-K473 WeakPolarHBondContact O-CG 3.32Å; A469-K473 PolarHBondContact O-N 2.98Å; A469-K473 VanDerWaalsContact O-N 3.09Å; D470-K473 PolarHBondContact O-N 3.45Å; T471-K473 VanDerWaalsContact C-N 3.35Å; T471-K473 PolarHBondContact O-N 2.74Å; K473-L475 VanDerWaalsContact C-N 3.3Å; K473-L475 PolarHBondContact O-N 3.22Å; K473-T476 WeakPolarHBondContact CA-OG1 3.46Å; K473-T476 PolarHBondContact O-N 3.19Å; K473-T476 PolarHBondContact O-OG1 3.42Å; K473-T476 VanDerWaalsContact O-OG1 3.09Å; K473-V477 WeakPolarHBondContact O-CG2 3.4Å; K473-V477 PolarHBondContact O-N 2.92Å |
| 474 | Q | 79.1 | Confident | 78.8 | Confident | 132 Ų | 132 | 105.7 Ų | 105.7 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62 | -39.3 | 177.2 | -75 | -176.6 | -3.3 | 0 | 0 | 111.7 | D470 T471 T476 V477 T478 | D470-Q474 WeakPolarHBondContact O-CG 3.48Å; D470-Q474 PolarHBondContact O-N 3.02Å; T471-Q474 PolarHBondContact O-N 3.18Å; Q474-T476 VanDerWaalsContact C-N 3.34Å; Q474-T476 PolarHBondContact O-N 3.22Å; Q474-V477 PolarHBondContact O-N 3.25Å; Q474-T478 WeakPolarHBondContact O-CB 3.47Å; Q474-T478 PolarHBondContact O-N 3.18Å; Q474-T478 PolarHBondContact O-OG1 3.32Å |
| 475 | L | 77.4 | Confident | 78.3 | Confident | 109 Ų | 109 | 105.6 Ų | 105.6 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 176.6 | -169.9 | 70.4 | 0 | 0 | 0 | 111.8 | T471 A472 K473 T478 Q479 | T471-L475 WeakPolarHBondContact O-CB 3.35Å; T471-L475 PolarHBondContact O-N 3.31Å; A472-L475 PolarHBondContact O-N 3.25Å; K473-L475 VanDerWaalsContact C-N 3.3Å; K473-L475 PolarHBondContact O-N 3.22Å; L475-T478 PolarHBondContact O-N 3Å; L475-Q479 PolarHBondContact O-N 3.14Å |
| 476 | T | 76.9 | Confident | 77.9 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 176.6 | 3.1 | 0 | 0 | 0 | 0 | 111.7 | A472 K473 Q474 T478 Q479 Q480 | A472-T476 PolarHBondContact O-N 3.47Å; A472-T476 VanDerWaalsContact O-N 3.16Å; A472-T476 PolarHBondContact O-OG1 3.39Å; K473-T476 WeakPolarHBondContact CA-OG1 3.46Å; K473-T476 PolarHBondContact O-N 3.19Å; K473-T476 PolarHBondContact O-OG1 3.42Å; K473-T476 VanDerWaalsContact O-OG1 3.09Å; Q474-T476 VanDerWaalsContact C-N 3.34Å; Q474-T476 PolarHBondContact O-N 3.22Å; T476-T478 VanDerWaalsContact C-N 3.32Å; T476-T478 PolarHBondContact O-N 3.3Å; T476-Q479 PolarHBondContact O-N 3.04Å; T476-Q480 WeakPolarHBondContact O-CG 3.28Å; T476-Q480 PolarHBondContact O-N 2.86Å; T476-Q480 VanDerWaalsContact O-N 3.1Å |
| 477 | V | 81.1 | Confident | 77.5 | Confident | 93 Ų | 93 | 104.9 Ų | 104.9 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | K473 Q474 Q480 S481 | K473-V477 WeakPolarHBondContact O-CG2 3.4Å; K473-V477 PolarHBondContact O-N 2.92Å; Q474-V477 PolarHBondContact O-N 3.25Å; V477-Q480 PolarHBondContact O-N 3.18Å; V477-S481 PolarHBondContact O-N 3.29Å |
| 478 | T | 73.6 | Confident | 77.3 | Confident | 76 Ų | 76 | 102.7 Ų | 102.7 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -41 | -179.6 | -46.2 | 0 | 0 | 0 | 0 | 111.2 | Q474 L475 T476 Q480 S481 Q482 | Q474-T478 WeakPolarHBondContact O-CB 3.47Å; Q474-T478 PolarHBondContact O-N 3.18Å; Q474-T478 PolarHBondContact O-OG1 3.32Å; L475-T478 PolarHBondContact O-N 3Å; T476-T478 VanDerWaalsContact C-N 3.32Å; T476-T478 PolarHBondContact O-N 3.3Å; T478-Q480 PolarHBondContact O-N 3.5Å; T478-S481 PolarHBondContact O-N 3.15Å; T478-S481 PolarHBondContact O-OG 3.5Å; T478-Q482 PolarHBondContact O-N 2.96Å |
| 479 | Q | 72.9 | Confident | 76.9 | Confident | 110 Ų | 110 | 105.3 Ų | 105.3 | 51% | 0.514 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60 | -44.4 | 173.8 | -81.6 | 178 | -27.6 | 0 | 0 | 112.2 | L475 T476 S481 Q482 E483 | L475-Q479 PolarHBondContact O-N 3.14Å; T476-Q479 PolarHBondContact O-N 3.04Å; Q479-S481 PolarHBondContact O-N 3.43Å; Q479-Q482 PolarHBondContact O-N 2.85Å; Q479-E483 PolarHBondContact O-N 3.24Å; Q479-E483 VanDerWaalsContact O-N 3.08Å |
| 480 | Q | 77.1 | Confident | 76.7 | Confident | 121 Ų | 121 | 110.1 Ų | 110.1 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.7 | -43.3 | 176.4 | -72.7 | 177.2 | -15 | 0 | 0 | 112 | T476 V477 T478 Q482 E483 E484 | T476-Q480 WeakPolarHBondContact O-CG 3.28Å; T476-Q480 PolarHBondContact O-N 2.86Å; T476-Q480 VanDerWaalsContact O-N 3.1Å; V477-Q480 PolarHBondContact O-N 3.18Å; T478-Q480 PolarHBondContact O-N 3.5Å; Q480-Q482 VanDerWaalsContact C-N 3.3Å; Q480-Q482 PolarHBondContact O-N 3.27Å; Q480-E483 PolarHBondContact O-N 2.95Å; Q480-E484 PolarHBondContact O-N 2.98Å; Q480-E484 VanDerWaalsContact O-N 3.12Å |
| 481 | S | 75.7 | Confident | 76.3 | Confident | 54 Ų | 54 | 112.4 Ų | 112.4 | 38% | 0.378 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.7 | -33.8 | 177 | 74.2 | 0 | 0 | 0 | 0 | 113 | V477 T478 Q479 E484 V485 | V477-S481 PolarHBondContact O-N 3.29Å; T478-S481 PolarHBondContact O-N 3.15Å; T478-S481 PolarHBondContact O-OG 3.5Å; Q479-S481 PolarHBondContact O-N 3.43Å; S481-E484 PolarHBondContact O-N 3.44Å; S481-V485 VanDerWaalsContact O-CG2 3.27Å; S481-V485 WeakPolarHBondContact O-CG2 3.49Å; S481-V485 PolarHBondContact O-N 3.4Å |
| 482 | Q | 70.6 | Confident | 76 | Confident | 141 Ų | 141 | 113.6 Ų | 113.6 | 66% | 0.659 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.2 | -39.3 | 178.3 | -121.5 | -178.3 | -5.3 | 0 | 0 | 112 | T478 Q479 Q480 V485 A486 | T478-Q482 PolarHBondContact O-N 2.96Å; Q479-Q482 PolarHBondContact O-N 2.85Å; Q480-Q482 VanDerWaalsContact C-N 3.3Å; Q480-Q482 PolarHBondContact O-N 3.27Å; Q482-V485 PolarHBondContact O-N 3.08Å; Q482-A486 PolarHBondContact O-N 3.4Å |
| 483 | E | 75.8 | Confident | 75.7 | Confident | 146 Ų | 146 | 114.2 Ų | 114.2 | 68% | 0.682 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.6 | -40.9 | 174.5 | -73.3 | -179.2 | 172 | 0 | 0 | 111.7 | Q479 Q480 A486 R487 | Q479-E483 PolarHBondContact O-N 3.24Å; Q479-E483 VanDerWaalsContact O-N 3.08Å; Q480-E483 PolarHBondContact O-N 2.95Å; E483-A486 PolarHBondContact O-N 2.99Å; E483-R487 PolarHBondContact O-N 2.99Å; E483-R487 VanDerWaalsContact O-N 3.13Å |
| 484 | E | 76 | Confident | 75.3 | Confident | 138 Ų | 138 | 115 Ų | 115 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.1 | -43.5 | 175.6 | -73.8 | -176.8 | 166.2 | 0 | 0 | 112.4 | Q480 S481 A486 R487 V488 | Q480-E484 PolarHBondContact O-N 2.98Å; Q480-E484 VanDerWaalsContact O-N 3.12Å; S481-E484 PolarHBondContact O-N 3.44Å; E484-A486 PolarHBondContact O-N 3.47Å; E484-R487 WeakPolarHBondContact O-CB 3.48Å; E484-R487 PolarHBondContact O-N 3Å; E484-V488 WeakPolarHBondContact O-CG2 3.46Å; E484-V488 PolarHBondContact O-N 3.02Å |
| 485 | V | 74.8 | Confident | 75.2 | Confident | 102 Ų | 102 | 114 Ų | 114 | 62% | 0.618 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.1 | -39.8 | 177.6 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | S481 Q482 R487 V488 K489 | S481-V485 VanDerWaalsContact O-CG2 3.27Å; S481-V485 WeakPolarHBondContact O-CG2 3.49Å; S481-V485 PolarHBondContact O-N 3.4Å; Q482-V485 PolarHBondContact O-N 3.08Å; V485-R487 VanDerWaalsContact C-N 3.29Å; V485-R487 PolarHBondContact O-N 2.84Å; V485-V488 PolarHBondContact O-N 3.05Å; V485-K489 WeakPolarHBondContact O-CB 3.5Å; V485-K489 PolarHBondContact O-N 3.04Å; V485-K489 VanDerWaalsContact O-N 3.08Å |
| 486 | A | 74.3 | Confident | 75 | Confident | 59 Ų | 59 | 113.5 Ų | 113.5 | 49% | 0.488 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.8 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q482 E483 E484 K489 E490 | Q482-A486 PolarHBondContact O-N 3.4Å; E483-A486 PolarHBondContact O-N 2.99Å; E484-A486 PolarHBondContact O-N 3.47Å; A486-K489 PolarHBondContact O-N 2.95Å; A486-E490 PolarHBondContact O-N 3.39Å |
| 487 | R | 77.8 | Confident | 74.7 | Confident | 197 Ų | 197 | 114.9 Ų | 114.9 | 74% | 0.743 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.4 | -42.4 | 179.6 | -141.1 | 176 | 174.7 | -175.3 | -2.5 | 112.8 | E483 E484 V485 K489 E490 Q491 | E483-R487 PolarHBondContact O-N 2.99Å; E483-R487 VanDerWaalsContact O-N 3.13Å; E484-R487 WeakPolarHBondContact O-CB 3.48Å; E484-R487 PolarHBondContact O-N 3Å; V485-R487 VanDerWaalsContact C-N 3.29Å; V485-R487 PolarHBondContact O-N 2.84Å; R487-K489 VanDerWaalsContact C-N 3.35Å; R487-E490 PolarHBondContact O-N 3.36Å; R487-Q491 PolarHBondContact O-N 3.41Å |
| 488 | V | 77.7 | Confident | 74.4 | Confident | 90 Ų | 90 | 115.6 Ų | 115.6 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.7 | -38.6 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | E484 V485 E490 Q491 L492 | E484-V488 WeakPolarHBondContact O-CG2 3.46Å; E484-V488 PolarHBondContact O-N 3.02Å; V485-V488 PolarHBondContact O-N 3.05Å; V488-E490 VanDerWaalsContact C-N 3.34Å; V488-E490 PolarHBondContact O-N 3.44Å; V488-Q491 PolarHBondContact O-N 3.18Å; V488-L492 PolarHBondContact O-N 2.83Å |
| 489 | K | 73.1 | Confident | 74.4 | Confident | 164 Ų | 164 | 116.7 Ų | 116.7 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63 | -40.3 | 178.2 | -172.5 | -179.2 | 177.4 | -175.9 | 0 | 112.3 | V485 A486 R487 L492 A493 | V485-K489 WeakPolarHBondContact O-CB 3.5Å; V485-K489 PolarHBondContact O-N 3.04Å; V485-K489 VanDerWaalsContact O-N 3.08Å; A486-K489 PolarHBondContact O-N 2.95Å; R487-K489 VanDerWaalsContact C-N 3.35Å; K489-L492 PolarHBondContact O-N 3.38Å; K489-A493 PolarHBondContact O-N 3.38Å |
| 490 | E | 75.4 | Confident | 74.2 | Confident | 152 Ų | 152 | 117.6 Ų | 117.6 | 71% | 0.71 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.9 | -38.1 | 178.8 | -147.7 | 171.4 | -154.8 | 0 | 0 | 111.6 | A486 R487 V488 A493 F494 | A486-E490 PolarHBondContact O-N 3.39Å; R487-E490 PolarHBondContact O-N 3.36Å; V488-E490 VanDerWaalsContact C-N 3.34Å; V488-E490 PolarHBondContact O-N 3.44Å; E490-A493 PolarHBondContact O-N 3.32Å; E490-F494 PolarHBondContact O-N 2.92Å |
| 491 | Q | 75.2 | Confident | 73.7 | Confident | 131 Ų | 131 | 119.4 Ų | 119.4 | 61% | 0.612 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.1 | -36 | 177.8 | -156.5 | 171.3 | 8.8 | 0 | 0 | 112.8 | R487 V488 | R487-Q491 PolarHBondContact O-N 3.41Å; V488-Q491 PolarHBondContact O-N 3.18Å |
| 492 | L | 72.2 | Confident | 73.4 | Confident | 108 Ų | 108 | 122.2 Ų | 122.2 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.7 | -35.1 | 178.2 | -149 | 76.7 | 0 | 0 | 0 | 112.3 | V488 K489 F494 Q495 V496 | V488-L492 PolarHBondContact O-N 2.83Å; K489-L492 PolarHBondContact O-N 3.38Å; L492-F494 VanDerWaalsContact C-N 3.3Å; L492-F494 PolarHBondContact O-N 3.42Å; L492-Q495 PolarHBondContact O-N 3Å; L492-V496 WeakPolarHBondContact O-CG2 3.5Å; L492-V496 PolarHBondContact O-N 3.4Å |
| 493 | A | 70.6 | Confident | 73 | Confident | 65 Ų | 65 | 118.8 Ų | 118.8 | 54% | 0.537 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63 | -36.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K489 E490 | K489-A493 PolarHBondContact O-N 3.38Å; E490-A493 PolarHBondContact O-N 3.32Å |
| 494 | F | 75.1 | Confident | 72.3 | Confident | 153 Ų | 153 | 118.2 Ų | 118.2 | 67% | 0.671 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.5 | -39.3 | 178 | -172.8 | -96.9 | 0 | 0 | 0 | 112.9 | E490 L492 Q498 | E490-F494 PolarHBondContact O-N 2.92Å; L492-F494 VanDerWaalsContact C-N 3.3Å; L492-F494 PolarHBondContact O-N 3.42Å; F494-Q498 PolarHBondContact O-N 2.93Å |
| 495 | Q | 76.1 | Confident | 71.7 | Confident | 111 Ų | 111 | 118.3 Ų | 118.3 | 52% | 0.519 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.7 | -35.2 | -179.1 | -69.8 | -174.4 | 2.3 | 0 | 0 | 112.9 | L492 Q498 V499 | L492-Q495 PolarHBondContact O-N 3Å; Q495-Q498 PolarHBondContact O-N 3.02Å; Q495-V499 WeakPolarHBondContact O-CG2 3.27Å; Q495-V499 PolarHBondContact O-N 2.94Å |
| 496 | V | 72.6 | Confident | 71.1 | Confident | 99 Ų | 99 | 120.2 Ų | 120.2 | 60% | 0.6 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.4 | -39.1 | 179.5 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | L492 Q498 K500 | L492-V496 WeakPolarHBondContact O-CG2 3.5Å; L492-V496 PolarHBondContact O-N 3.4Å; V496-Q498 VanDerWaalsContact C-N 3.29Å; V496-Q498 PolarHBondContact O-N 3.27Å; V496-K500 PolarHBondContact O-N 3.45Å |
| 497 | E | 72.3 | Confident | 70.2 | Confident | 102 Ų | 102 | 124.1 Ų | 124.1 | 48% | 0.477 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.8 | -28.8 | 179.6 | -164.6 | 68 | -159.9 | 0 | 0 | 112.4 | R501 | E497-R501 IonicContact OE1-NH1 3.95Å; E497-R501 IonicContact OE1-NH2 3.21Å |
| 498 | Q | 73.4 | Confident | 69.2 | Low | 108 Ų | 108 | 122.6 Ų | 122.6 | 51% | 0.505 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -74.3 | -45.5 | 178.1 | -169.7 | 177.5 | -7.9 | 0 | 0 | 111.9 | F494 Q495 V496 K500 R501 | F494-Q498 PolarHBondContact O-N 2.93Å; Q495-Q498 PolarHBondContact O-N 3.02Å; V496-Q498 VanDerWaalsContact C-N 3.29Å; V496-Q498 PolarHBondContact O-N 3.27Å; Q498-K500 VanDerWaalsContact C-N 3.29Å; Q498-K500 PolarHBondContact O-N 3.48Å; Q498-R501 PolarHBondContact O-N 3.02Å |
| 499 | V | 74.4 | Confident | 68.2 | Low | 99 Ų | 99 | 125.5 Ų | 125.5 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.5 | -32.2 | -179 | 173.7 | 0 | 0 | 0 | 0 | 112 | Q495 R501 E502 S503 | Q495-V499 WeakPolarHBondContact O-CG2 3.27Å; Q495-V499 PolarHBondContact O-N 2.94Å; V499-R501 PolarHBondContact O-N 3.15Å; V499-E502 PolarHBondContact O-N 3.45Å; V499-S503 PolarHBondContact O-N 3.11Å |
| 500 | K | 68.5 | Low | 67.3 | Low | 129 Ų | 129 | 124.5 Ų | 124.5 | 56% | 0.561 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.7 | -35.4 | -179.5 | -166 | 178.6 | 177.1 | -172.6 | 0 | 113.3 | V496 Q498 S503 | V496-K500 PolarHBondContact O-N 3.45Å; Q498-K500 VanDerWaalsContact C-N 3.29Å; Q498-K500 PolarHBondContact O-N 3.48Å; K500-S503 PolarHBondContact O-OG 3.45Å |
| 501 | R | 66.9 | Low | 66.3 | Low | 160 Ų | 160 | 121.4 Ų | 121.4 | 60% | 0.604 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.6 | -27.7 | 177.4 | -73.9 | -169.9 | -179.2 | 88.1 | 6.2 | 113.1 | E497 Q498 V499 | E497-R501 IonicContact OE1-NH1 3.95Å; E497-R501 IonicContact OE1-NH2 3.21Å; Q498-R501 PolarHBondContact O-N 3.02Å; V499-R501 PolarHBondContact O-N 3.15Å |
| 502 | E | 67.9 | Low | 65.3 | Low | 112 Ų | 112 | 121.6 Ų | 121.6 | 52% | 0.523 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -78.4 | -23.9 | -179.2 | -71.7 | -177 | -179.6 | 0 | 0 | 113.5 | V499 | V499-E502 PolarHBondContact O-N 3.45Å |
| 503 | S | 62.6 | Low | 64.5 | Low | 70 Ų | 70 | 123.6 Ų | 123.6 | 49% | 0.49 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -81.6 | -31 | 179.6 | 73.9 | 0 | 0 | 0 | 0 | 113.5 | V499 K500 K506 | V499-S503 PolarHBondContact O-N 3.11Å; K500-S503 PolarHBondContact O-OG 3.45Å; S503-K506 PolarHBondContact O-N 2.88Å |
| 504 | E | 61.3 | Low | 63.5 | Low | 134 Ų | 134 | 127.5 Ų | 127.5 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.7 | -32.6 | -178.3 | -73.8 | 176.5 | 176 | 0 | 0 | 112.5 | K506 | E504-K506 PolarHBondContact O-N 2.67Å |
| 505 | L | 63.2 | Low | 62.6 | Low | 140 Ų | 140 | 128.5 Ų | 128.5 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -22 | 178.9 | -77.3 | 164.3 | 0 | 0 | 0 | 114.2 | ||
| 506 | K | 62.3 | Low | 61.4 | Low | 141 Ų | 141 | 132.2 Ų | 132.2 | 61% | 0.613 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -15 | -176.1 | -76.6 | 179.2 | 178.9 | 169.8 | 0 | 114.3 | S503 E504 | S503-K506 PolarHBondContact O-N 2.88Å; E504-K506 PolarHBondContact O-N 2.67Å |
| 507 | L | 55.2 | Low | 60.1 | Low | 142 Ų | 142 | 135.4 Ų | 135.4 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -79.7 | -23.4 | -175.3 | -139.7 | 100.5 | 0 | 0 | 0 | 112.9 | ||
| 508 | E | 56.9 | Low | 58.5 | Low | 165 Ų | 165 | 139.6 Ų | 139.6 | 77% | 0.771 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -82.7 | -23.2 | -177.3 | -142.2 | 151 | -160.5 | 0 | 0 | 112.2 | ||
| 509 | E | 58.2 | Low | 57.2 | Low | 150 Ų | 150 | 145 Ų | 145 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -82.4 | -19.7 | -179.2 | -131 | 174.2 | -167.9 | 0 | 0 | 113.7 | ||
| 510 | Q | 53.9 | Low | 55.8 | Low | 143 Ų | 143 | 149 Ų | 149 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -90 | -10.5 | -177 | -69.3 | -168.6 | -20.9 | 0 | 0 | 114.3 | ||
| 511 | S | 53.1 | Low | 54.2 | Low | 87 Ų | 87 | 149.4 Ų | 149.4 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -73.8 | -31.2 | -179.8 | -173.2 | 0 | 0 | 0 | 0 | 113 | Q513 | S511-Q513 PolarHBondContact O-N 2.93Š|
| 512 | D | 54.3 | Low | 52.9 | Low | 136 Ų | 136 | 151.9 Ų | 151.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -12 | -172.5 | -71.6 | -13.4 | 0 | 0 | 0 | 114.3 | ||
| 513 | Q | 55.3 | Low | 51.4 | Low | 149 Ų | 149 | 149.2 Ų | 149.2 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -15.4 | -177.4 | -64.7 | -175.4 | 3.4 | 0 | 0 | 113.7 | S511 | S511-Q513 PolarHBondContact O-N 2.93Š|
| 514 | L | 50.4 | Low | 50 | Low | 147 Ų | 147 | 155.7 Ų | 155.7 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -13.4 | -175.9 | -97.9 | 164.4 | 0 | 0 | 0 | 114.6 | ||
| 515 | E | 55.1 | Low | 48.8 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -14.4 | -179.7 | -117.1 | -178.6 | 176.1 | 0 | 0 | 114.1 | ||
| 516 | K | 50.7 | Low | 47.4 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -91.1 | -20.8 | -169.5 | -147.9 | 173.2 | -175.4 | 178.5 | 0 | 114.9 | ||
| 517 | L | 46.7 | Very low | 46.1 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -103.1 | 17.3 | -173.9 | -78.1 | 163.2 | 0 | 0 | 0 | 114.5 | ||
| 518 | K | 37.8 | Very low | 44.9 | Very low | 190 Ų | 190 | 154.7 Ų | 154.7 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -93 | 12.7 | 177.5 | -148.8 | -179.5 | -177.3 | 178.6 | 0 | 114.4 | ||
| 519 | R | 47.3 | Very low | 43.8 | Very low | 223 Ų | 223 | 151.1 Ų | 151.1 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -137.1 | 8.3 | -171.7 | -80 | -164.7 | -175.6 | 98.3 | -0.3 | 118.5 | ||
| 520 | E | 43.5 | Very low | 42.8 | Very low | 182 Ų | 182 | 152.4 Ų | 152.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -114.3 | 81.8 | 174.3 | -71.5 | -174.6 | 178.2 | 0 | 0 | 112.3 | ||
| 521 | L | 35.6 | Very low | 42.5 | Very low | 138 Ų | 138 | 151 Ų | 151 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | trans | 83.1 | 90.2 | 139 | -135.6 | 81.6 | 0 | 0 | 0 | 113.9 | A523 | L521-A523 HydrophobicContact CD1-CB 3.89Å; L521-A523 HydrophobicContact CD2-CB 4.3Å; L521-A523 HydrophobicContact CG-CB 3.65Å | ||
| 522 | E | 39.6 | Very low | 41.4 | Very low | 212 Ų | 212 | 154.2 Ų | 154.2 | 99% | 0.991 | 79% | 0.792 | S | S | * | * | cis | 48.6 | 7.7 | 30.9 | -111.3 | -179.5 | -160.5 | 0 | 0 | 117.1 | ||||
| 523 | A | 37.2 | Very low | 40.7 | Very low | 55 Ų | 55 | 155.3 Ų | 155.3 | 46% | 0.455 | 79% | 0.792 | S | S | . | * | trans | -146.1 | 93.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L521 | L521-A523 HydrophobicContact CD1-CB 3.89Å; L521-A523 HydrophobicContact CD2-CB 4.3Å; L521-A523 HydrophobicContact CG-CB 3.65Å | ||
| 524 | K | 33.3 | Very low | 39.8 | Very low | 207 Ų | 207 | 152.4 Ų | 152.4 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | trans | 166.4 | 77.1 | 130.7 | -85.1 | -80 | 176.9 | 177.8 | 0 | 109.1 | ||||
| 525 | A | 35.7 | Very low | 39.4 | Very low | 101 Ų | 101 | 154.1 Ų | 154.1 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -81.4 | 144.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 526 | G | 33.4 | Very low | 39.1 | Very low | 72 Ų | 72 | 150.8 Ų | 150.8 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 63.8 | 102.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 527 | E | 34.7 | Very low | 38.8 | Very low | 190 Ų | 190 | 150 Ų | 150 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | -178.7 | 100.6 | 123.1 | -97.4 | 172.3 | -160.1 | 0 | 0 | 107.9 | |||||
| 528 | L | 30.7 | Very low | 38.9 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | 59.1 | 107.5 | 90.7 | -107.7 | 153.4 | 0 | 0 | 0 | 114.5 | |||||
| 529 | A | 33.9 | Very low | 39.5 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | 167.3 | 130.8 | 114.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 530 | H | 37.8 | Very low | 39.8 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | 25.5 | 108 | 156.8 | -88.5 | -22.9 | 0 | 0 | 0 | 120.9 | ||||
| 531 | V | 46.7 | Very low | 40.4 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | 70.6 | 106.8 | 91.3 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 532 | Q | 30.8 | Very low | 41.5 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | -162.3 | 124.7 | 99.9 | -149.9 | 142.5 | -4.1 | 0 | 0 | 112.7 | |||||
| 533 | E | 39.3 | Very low | 42.6 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 32.4 | 115.4 | 137.4 | -61.7 | 169.5 | 139.5 | 0 | 0 | 119 | ||||
| 534 | A | 36.8 | Very low | 44 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | 163.2 | 87.5 | 93.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 535 | L | 40.1 | Very low | 45.4 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 95% | 0.953 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -169.8 | 37.4 | 150.7 | -138.7 | 65.9 | 0 | 0 | 0 | 113.5 | ||
| 536 | S | 48.9 | Very low | 47.1 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | trans | -94.6 | 157.3 | 169.8 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 537 | H | 44.5 | Very low | 49.1 | Very low | 172 Ų | 172 | 128.3 Ų | 128.3 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 109.7 | -0.5 | 145.5 | -136.5 | -76.2 | 0 | 0 | 0 | 120.6 | ||
| 538 | T | 48.5 | Very low | 51 | Low | 118 Ų | 118 | 126.2 Ų | 126.2 | 72% | 0.724 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -111.4 | -19.7 | 178.2 | 6.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 539 | Q | 51.1 | Low | 53.2 | Low | 159 Ų | 159 | 123.7 Ų | 123.7 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -90.1 | -24.6 | -172.3 | -155 | 73.8 | -7.5 | 0 | 0 | 113.8 | ||
| 540 | Q | 54.2 | Low | 55.3 | Low | 168 Ų | 168 | 124.2 Ų | 124.2 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -90 | -23.2 | -172.5 | -144.5 | 168.1 | 6.7 | 0 | 0 | 113.4 | K542 S543 | Q540-K542 VanDerWaalsContact C-N 3.32Å; Q540-S543 PolarHBondContact O-OG 3.29Å |
| 541 | S | 56.4 | Low | 57.3 | Low | 61 Ų | 61 | 119.8 Ų | 119.8 | 43% | 0.427 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.5 | -24 | 171.7 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | L545 | S541-L545 PolarHBondContact O-N 3.46Å |
| 542 | K | 57.3 | Low | 58.8 | Low | 150 Ų | 150 | 119.4 Ų | 119.4 | 65% | 0.652 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.6 | -34.2 | -179.6 | -162.2 | 176.7 | -177.8 | -179.4 | 0 | 112.8 | Q540 S546 | Q540-K542 VanDerWaalsContact C-N 3.32Å; K542-S546 WeakPolarHBondContact O-CB 3.19Å; K542-S546 PolarHBondContact O-N 3.25Å; K542-S546 VanDerWaalsContact O-N 3.15Å |
| 543 | S | 63.5 | Low | 61 | Low | 77 Ų | 77 | 114.6 Ų | 114.6 | 54% | 0.538 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -76 | -33.2 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 113 | Q540 S547 | Q540-S543 PolarHBondContact O-OG 3.29Å; S543-S547 PolarHBondContact O-N 3.04Å |
| 544 | E | 65.8 | Low | 63 | Low | 110 Ų | 110 | 110 Ų | 110 | 51% | 0.514 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -77 | -32 | 178.1 | -155.4 | -175.3 | 160.7 | 0 | 0 | 112.3 | S547 R548 | E544-S547 PolarHBondContact O-OG 3.34Å; E544-R548 WeakPolarHBondContact O-CG 3.35Å; E544-R548 PolarHBondContact O-N 3.12Å; E544-R548 IonicContact OE1-CZ 3.83Å; E544-R548 IonicContact OE1-NH2 2.91Å; E544-R548 PolarHBondContact OE1-NH2 3.15Å |
| 545 | L | 64.1 | Low | 65.1 | Low | 123 Ų | 123 | 111.3 Ų | 111.3 | 64% | 0.644 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.8 | -33.5 | 170.7 | -82.4 | 162.3 | 0 | 0 | 0 | 112.6 | S541 L549 | S541-L545 PolarHBondContact O-N 3.46Å; L545-L549 WeakPolarHBondContact O-CB 3.26Å; L545-L549 PolarHBondContact O-N 3.16Å |
| 546 | S | 70.9 | Confident | 67 | Low | 60 Ų | 60 | 109.7 Ų | 109.7 | 42% | 0.42 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.2 | -44.4 | 176.5 | -164.8 | 0 | 0 | 0 | 0 | 112 | K542 R548 L549 D550 | K542-S546 WeakPolarHBondContact O-CB 3.19Å; K542-S546 PolarHBondContact O-N 3.25Å; K542-S546 VanDerWaalsContact O-N 3.15Å; S546-R548 PolarHBondContact O-N 3.24Å; S546-L549 WeakPolarHBondContact O-CB 3.44Å; S546-L549 PolarHBondContact O-N 2.89Å; S546-D550 VanDerWaalsContact O-CG 3.31Å; S546-D550 PolarHBondContact O-N 2.81Å |
| 547 | S | 74.6 | Confident | 68.5 | Low | 65 Ų | 65 | 109.3 Ų | 109.3 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.6 | -35.9 | 179.7 | 75.9 | 0 | 0 | 0 | 0 | 112.4 | S543 E544 L549 D550 T551 | S543-S547 PolarHBondContact O-N 3.04Å; E544-S547 PolarHBondContact O-OG 3.34Å; S547-L549 VanDerWaalsContact C-N 3.33Å; S547-D550 PolarHBondContact O-N 2.75Å; S547-T551 WeakPolarHBondContact O-CG2 3.42Å; S547-T551 PolarHBondContact O-N 2.98Å; S547-T551 PolarHBondContact O-OG1 3.4Å |
| 548 | R | 75.2 | Confident | 70.4 | Confident | 146 Ų | 146 | 104.4 Ų | 104.4 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.3 | -33.6 | 173.4 | -69.4 | -176.5 | -167.9 | -167.2 | 8.2 | 112.4 | E544 S546 T551 L552 | E544-R548 WeakPolarHBondContact O-CG 3.35Å; E544-R548 PolarHBondContact O-N 3.12Å; E544-R548 IonicContact OE1-CZ 3.83Å; E544-R548 IonicContact OE1-NH2 2.91Å; E544-R548 PolarHBondContact OE1-NH2 3.15Å; S546-R548 PolarHBondContact O-N 3.24Å; R548-T551 WeakPolarHBondContact CA-OG1 3.48Å; R548-T551 PolarHBondContact O-OG1 2.98Å; R548-L552 VanDerWaalsContact O-CB 3.32Å; R548-L552 WeakPolarHBondContact O-CB 3.49Å; R548-L552 WeakPolarHBondContact O-CD1 3.48Å; R548-L552 VanDerWaalsContact O-CG 3.23Å; R548-L552 WeakPolarHBondContact O-CG 3.23Å; R548-L552 PolarHBondContact O-N 3.47Å |
| 549 | L | 76 | Confident | 71.9 | Confident | 120 Ų | 120 | 104.2 Ų | 104.2 | 63% | 0.628 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.2 | -39.6 | 174.5 | -168 | 69.8 | 0 | 0 | 0 | 111.4 | L545 S546 S547 L552 S553 | L545-L549 WeakPolarHBondContact O-CB 3.26Å; L545-L549 PolarHBondContact O-N 3.16Å; S546-L549 WeakPolarHBondContact O-CB 3.44Å; S546-L549 PolarHBondContact O-N 2.89Å; S547-L549 VanDerWaalsContact C-N 3.33Å; L549-L552 PolarHBondContact O-N 3.42Å; L549-S553 VanDerWaalsContact O-CB 3.31Å; L549-S553 WeakPolarHBondContact O-CB 3.41Å; L549-S553 PolarHBondContact O-N 3.01Å |
| 550 | D | 79.1 | Confident | 73.4 | Confident | 100 Ų | 100 | 98.6 Ų | 98.6 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.7 | -40 | 177.6 | -66.8 | -29.8 | 0 | 0 | 0 | 111.9 | S546 S547 S553 A554 | S546-D550 VanDerWaalsContact O-CG 3.31Å; S546-D550 PolarHBondContact O-N 2.81Å; S547-D550 PolarHBondContact O-N 2.75Å; D550-S553 PolarHBondContact O-N 2.94Å; D550-A554 WeakPolarHBondContact O-CB 3.25Å; D550-A554 PolarHBondContact O-N 2.83Å |
| 551 | T | 79.9 | Confident | 74.9 | Confident | 83 Ų | 83 | 92.3 Ų | 92.3 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 173.8 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | S547 R548 S553 A554 E555 | S547-T551 WeakPolarHBondContact O-CG2 3.42Å; S547-T551 PolarHBondContact O-N 2.98Å; S547-T551 PolarHBondContact O-OG1 3.4Å; R548-T551 WeakPolarHBondContact CA-OG1 3.48Å; R548-T551 PolarHBondContact O-OG1 2.98Å; T551-S553 VanDerWaalsContact C-N 3.32Å; T551-S553 PolarHBondContact O-N 3.4Å; T551-A554 PolarHBondContact O-N 3.3Å; T551-E555 WeakPolarHBondContact O-CB 3.34Å; T551-E555 WeakPolarHBondContact O-CG 2.88Å; T551-E555 PolarHBondContact O-N 3.46Å |
| 552 | L | 77.3 | Confident | 76.2 | Confident | 106 Ų | 106 | 92 Ų | 92 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69 | -30.6 | 175.6 | -74 | 171 | 0 | 0 | 0 | 112.1 | R548 L549 K556 | R548-L552 VanDerWaalsContact O-CB 3.32Å; R548-L552 WeakPolarHBondContact O-CB 3.49Å; R548-L552 WeakPolarHBondContact O-CD1 3.48Å; R548-L552 VanDerWaalsContact O-CG 3.23Å; R548-L552 WeakPolarHBondContact O-CG 3.23Å; R548-L552 PolarHBondContact O-N 3.47Å; L549-L552 PolarHBondContact O-N 3.42Å; L552-K556 WeakPolarHBondContact O-CB 3.19Å; L552-K556 PolarHBondContact O-N 3.45Å |
| 553 | S | 77.6 | Confident | 77.5 | Confident | 54 Ų | 54 | 88.4 Ų | 88.4 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 172.3 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | L549 D550 T551 K556 D557 | L549-S553 VanDerWaalsContact O-CB 3.31Å; L549-S553 WeakPolarHBondContact O-CB 3.41Å; L549-S553 PolarHBondContact O-N 3.01Å; D550-S553 PolarHBondContact O-N 2.94Å; T551-S553 VanDerWaalsContact C-N 3.32Å; T551-S553 PolarHBondContact O-N 3.4Å; S553-K556 WeakPolarHBondContact O-CB 3.4Å; S553-K556 PolarHBondContact O-N 3.28Å; S553-D557 WeakPolarHBondContact O-CB 3.5Å; S553-D557 PolarHBondContact O-N 3.45Å |
| 554 | A | 80.8 | Confident | 78.5 | Confident | 61 Ų | 61 | 93 Ų | 93 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D550 T551 D557 A558 | D550-A554 WeakPolarHBondContact O-CB 3.25Å; D550-A554 PolarHBondContact O-N 2.83Å; T551-A554 PolarHBondContact O-N 3.3Å; A554-D557 PolarHBondContact O-N 3.22Å; A554-A558 VanDerWaalsContact O-CB 3.32Å; A554-A558 WeakPolarHBondContact O-CB 3.47Å; A554-A558 PolarHBondContact O-N 3.39Å |
| 555 | E | 80.9 | Confident | 79.5 | Confident | 117 Ų | 117 | 93.1 Ų | 93.1 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 173.1 | -77.2 | -178.3 | 176.2 | 0 | 0 | 111.9 | T551 A558 L559 | T551-E555 WeakPolarHBondContact O-CB 3.34Å; T551-E555 WeakPolarHBondContact O-CG 2.88Å; T551-E555 PolarHBondContact O-N 3.46Å; E555-A558 PolarHBondContact O-N 3.04Å; E555-L559 VanDerWaalsContact O-CB 3.29Å; E555-L559 WeakPolarHBondContact O-CB 3.43Å; E555-L559 PolarHBondContact O-N 3.14Å |
| 556 | K | 79.6 | Confident | 80.4 | Confident | 149 Ų | 149 | 96.3 Ų | 96.3 | 65% | 0.648 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 174.7 | -177.9 | -172 | 175 | -175.4 | 0 | 111.6 | L552 S553 S560 | L552-K556 WeakPolarHBondContact O-CB 3.19Å; L552-K556 PolarHBondContact O-N 3.45Å; S553-K556 WeakPolarHBondContact O-CB 3.4Å; S553-K556 PolarHBondContact O-N 3.28Å; K556-S560 VanDerWaalsContact O-CB 3.31Å; K556-S560 WeakPolarHBondContact O-CB 3.33Å; K556-S560 PolarHBondContact O-N 3.46Å |
| 557 | D | 81.8 | Confident | 81.1 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 179.2 | -71.2 | -26.2 | 0 | 0 | 0 | 111.3 | S553 A554 S560 G561 | S553-D557 WeakPolarHBondContact O-CB 3.5Å; S553-D557 PolarHBondContact O-N 3.45Å; A554-D557 PolarHBondContact O-N 3.22Å; D557-S560 PolarHBondContact O-N 3.11Å; D557-S560 PolarHBondContact O-OG 3.12Å; D557-G561 PolarHBondContact O-N 2.81Å |
| 558 | A | 83.6 | Confident | 81.6 | Confident | 68 Ų | 68 | 98.1 Ų | 98.1 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A554 E555 G561 A562 | A554-A558 VanDerWaalsContact O-CB 3.32Å; A554-A558 WeakPolarHBondContact O-CB 3.47Å; A554-A558 PolarHBondContact O-N 3.39Å; E555-A558 PolarHBondContact O-N 3.04Å; A558-G561 PolarHBondContact O-N 3.4Å; A558-A562 WeakPolarHBondContact O-CB 3.28Å; A558-A562 PolarHBondContact O-N 2.95Å |
| 559 | L | 80.3 | Confident | 82.2 | Confident | 115 Ų | 115 | 94.9 Ų | 94.9 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -40.1 | 173 | -88.2 | 152.5 | 0 | 0 | 0 | 111.4 | E555 G561 A562 V563 | E555-L559 VanDerWaalsContact O-CB 3.29Å; E555-L559 WeakPolarHBondContact O-CB 3.43Å; E555-L559 PolarHBondContact O-N 3.14Å; L559-G561 VanDerWaalsContact C-N 3.33Å; L559-G561 PolarHBondContact O-N 3.19Å; L559-A562 PolarHBondContact O-N 2.97Å; L559-V563 WeakPolarHBondContact O-CB 3.18Å; L559-V563 VanDerWaalsContact O-CG2 3.26Å; L559-V563 WeakPolarHBondContact O-CG2 3.46Å; L559-V563 PolarHBondContact O-N 2.48Å |
| 560 | S | 82.1 | Confident | 82.6 | Confident | 40 Ų | 40 | 94.2 Ų | 94.2 | 28% | 0.28 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -38 | 176.3 | 85.9 | 0 | 0 | 0 | 0 | 112.1 | K556 D557 V563 R564 | K556-S560 VanDerWaalsContact O-CB 3.31Å; K556-S560 WeakPolarHBondContact O-CB 3.33Å; K556-S560 PolarHBondContact O-N 3.46Å; D557-S560 PolarHBondContact O-N 3.11Å; D557-S560 PolarHBondContact O-OG 3.12Å; S560-V563 PolarHBondContact O-N 3.25Å; S560-R564 WeakPolarHBondContact O-CG 3.28Å; S560-R564 PolarHBondContact O-N 3.45Å |
| 561 | G | 85.4 | Confident | 83.1 | Confident | 36 Ų | 36 | 94.4 Ų | 94.4 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | D557 A558 L559 R564 Q565 | D557-G561 PolarHBondContact O-N 2.81Å; A558-G561 PolarHBondContact O-N 3.4Å; L559-G561 VanDerWaalsContact C-N 3.33Å; L559-G561 PolarHBondContact O-N 3.19Å; G561-R564 PolarHBondContact O-N 3.1Å; G561-Q565 WeakPolarHBondContact O-CB 3.46Å; G561-Q565 PolarHBondContact O-N 2.74Å |
| 562 | A | 84.8 | Confident | 83.5 | Confident | 55 Ų | 55 | 93.4 Ų | 93.4 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A558 L559 Q565 R566 | A558-A562 WeakPolarHBondContact O-CB 3.28Å; A558-A562 PolarHBondContact O-N 2.95Å; L559-A562 PolarHBondContact O-N 2.97Å; A562-Q565 PolarHBondContact O-N 2.97Å; A562-R566 WeakPolarHBondContact O-CB 3.42Å; A562-R566 VanDerWaalsContact O-CG 3.28Å; A562-R566 WeakPolarHBondContact O-CG 3.3Å; A562-R566 PolarHBondContact O-N 2.95Å |
| 563 | V | 84.6 | Confident | 83.8 | Confident | 75 Ų | 75 | 90.8 Ų | 90.8 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 174.6 | 169 | 0 | 0 | 0 | 0 | 110.8 | L559 S560 Q565 R566 E567 | L559-V563 WeakPolarHBondContact O-CB 3.18Å; L559-V563 VanDerWaalsContact O-CG2 3.26Å; L559-V563 WeakPolarHBondContact O-CG2 3.46Å; L559-V563 PolarHBondContact O-N 2.48Å; S560-V563 PolarHBondContact O-N 3.25Å; V563-Q565 VanDerWaalsContact C-N 3.33Å; V563-Q565 PolarHBondContact O-N 3.3Å; V563-R566 CarbonylContact O-C 3.57Å; V563-R566 PolarHBondContact O-N 3.35Å; V563-R566 VanDerWaalsContact O-N 3.17Å; V563-E567 HydrophobicContact CG1-CG 4.42Å; V563-E567 WeakPolarHBondContact O-CG 3.24Å; V563-E567 PolarHBondContact O-N 2.74Å |
| 564 | R | 85 | Confident | 84.3 | Confident | 172 Ų | 172 | 92.4 Ų | 92.4 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -39.7 | 176.4 | -75.8 | 177.4 | -177.4 | 153.8 | 2.6 | 112.6 | S560 G561 E567 A568 | S560-R564 WeakPolarHBondContact O-CG 3.28Å; S560-R564 PolarHBondContact O-N 3.45Å; G561-R564 PolarHBondContact O-N 3.1Å; R564-E567 PolarHBondContact O-N 3.39Å; R564-A568 WeakPolarHBondContact O-CB 3.38Å; R564-A568 PolarHBondContact O-N 3.23Å |
| 565 | Q | 86.8 | Confident | 84.7 | Confident | 113 Ų | 113 | 92.7 Ų | 92.7 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.1 | -172.4 | 61.5 | 41.7 | 0 | 0 | 110.9 | G561 A562 V563 E567 A568 D569 | G561-Q565 WeakPolarHBondContact O-CB 3.46Å; G561-Q565 PolarHBondContact O-N 2.74Å; A562-Q565 PolarHBondContact O-N 2.97Å; V563-Q565 VanDerWaalsContact C-N 3.33Å; V563-Q565 PolarHBondContact O-N 3.3Å; Q565-E567 VanDerWaalsContact C-N 3.35Å; Q565-E567 PolarHBondContact O-N 2.85Å; Q565-A568 PolarHBondContact O-N 2.89Å; Q565-D569 PolarHBondContact NE2-OD1 2.97Å; Q565-D569 WeakPolarHBondContact O-CB 3.43Å; Q565-D569 PolarHBondContact O-N 3.21Å |
| 566 | R | 83 | Confident | 85.2 | Confident | 191 Ų | 191 | 92.2 Ų | 92.2 | 72% | 0.721 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -35.3 | 175.9 | -73.7 | -67.4 | -175.6 | 149.7 | -1.6 | 113.1 | A562 V563 L570 | A562-R566 WeakPolarHBondContact O-CB 3.42Å; A562-R566 VanDerWaalsContact O-CG 3.28Å; A562-R566 WeakPolarHBondContact O-CG 3.3Å; A562-R566 PolarHBondContact O-N 2.95Å; V563-R566 CarbonylContact O-C 3.57Å; V563-R566 PolarHBondContact O-N 3.35Å; V563-R566 VanDerWaalsContact O-N 3.17Å; R566-L570 VanDerWaalsContact O-CB 3.25Å; R566-L570 WeakPolarHBondContact O-CB 3.36Å; R566-L570 PolarHBondContact O-N 3.49Å |
| 567 | E | 84.6 | Confident | 85.6 | Confident | 113 Ų | 113 | 88.6 Ų | 88.6 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 172.6 | -75.5 | 175.5 | 168.4 | 0 | 0 | 111.7 | V563 R564 Q565 L570 L571 | V563-E567 HydrophobicContact CG1-CG 4.42Å; V563-E567 WeakPolarHBondContact O-CG 3.24Å; V563-E567 PolarHBondContact O-N 2.74Å; R564-E567 PolarHBondContact O-N 3.39Å; Q565-E567 VanDerWaalsContact C-N 3.35Å; Q565-E567 PolarHBondContact O-N 2.85Å; E567-L570 PolarHBondContact O-N 3.49Å; E567-L571 PolarHBondContact O-N 3.5Å |
| 568 | A | 86 | Confident | 85.9 | Confident | 50 Ų | 50 | 92.1 Ų | 92.1 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R564 Q565 L570 L571 A572 | R564-A568 WeakPolarHBondContact O-CB 3.38Å; R564-A568 PolarHBondContact O-N 3.23Å; Q565-A568 PolarHBondContact O-N 2.89Å; A568-L570 VanDerWaalsContact C-N 3.32Å; A568-L570 PolarHBondContact O-N 3.18Å; A568-L571 PolarHBondContact O-N 3.35Å; A568-A572 WeakPolarHBondContact O-CB 3.39Å; A568-A572 PolarHBondContact O-N 3.1Å |
| 569 | D | 86.9 | Confident | 86.1 | Confident | 78 Ų | 78 | 94.7 Ų | 94.7 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 176.1 | -64.2 | -17.8 | 0 | 0 | 0 | 111.2 | Q565 A572 A573 | Q565-D569 PolarHBondContact NE2-OD1 2.97Å; Q565-D569 WeakPolarHBondContact O-CB 3.43Å; Q565-D569 PolarHBondContact O-N 3.21Å; D569-A572 PolarHBondContact O-N 3.2Å; D569-A573 VanDerWaalsContact O-CB 3.31Å; D569-A573 WeakPolarHBondContact O-CB 3.37Å; D569-A573 PolarHBondContact O-N 3.49Å |
| 570 | L | 84.5 | Confident | 86.4 | Confident | 105 Ų | 105 | 92.9 Ų | 92.9 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 175.4 | -173.5 | 74.6 | 0 | 0 | 0 | 111.5 | R566 E567 A568 A573 Q574 | R566-L570 VanDerWaalsContact O-CB 3.25Å; R566-L570 WeakPolarHBondContact O-CB 3.36Å; R566-L570 PolarHBondContact O-N 3.49Å; E567-L570 PolarHBondContact O-N 3.49Å; A568-L570 VanDerWaalsContact C-N 3.32Å; A568-L570 PolarHBondContact O-N 3.18Å; L570-A573 PolarHBondContact O-N 3.48Å; L570-Q574 WeakPolarHBondContact O-CB 3.45Å; L570-Q574 VanDerWaalsContact O-CG 3.26Å; L570-Q574 WeakPolarHBondContact O-CG 3.38Å; L570-Q574 PolarHBondContact O-N 3.5Å |
| 571 | L | 89.4 | Confident | 86.6 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.7 | -87 | 155.7 | 0 | 0 | 0 | 112.2 | E567 A568 Q574 T575 | E567-L571 PolarHBondContact O-N 3.5Å; A568-L571 PolarHBondContact O-N 3.35Å; L571-Q574 PolarHBondContact O-N 2.87Å; L571-T575 WeakPolarHBondContact O-CB 2.79Å; L571-T575 PolarHBondContact O-N 2.9Å; L571-T575 PolarHBondContact O-OG1 3.38Å |
| 572 | A | 88.1 | Confident | 86.8 | Confident | 61 Ų | 61 | 96.3 Ų | 96.3 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A568 D569 T575 L576 | A568-A572 WeakPolarHBondContact O-CB 3.39Å; A568-A572 PolarHBondContact O-N 3.1Å; D569-A572 PolarHBondContact O-N 3.2Å; A572-T575 PolarHBondContact O-N 3.02Å; A572-L576 WeakPolarHBondContact O-CB 3.37Å; A572-L576 PolarHBondContact O-N 2.91Å |
| 573 | A | 84.9 | Confident | 87 | Confident | 52 Ų | 52 | 96.2 Ų | 96.2 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D569 L570 T575 L576 V577 | D569-A573 VanDerWaalsContact O-CB 3.31Å; D569-A573 WeakPolarHBondContact O-CB 3.37Å; D569-A573 PolarHBondContact O-N 3.49Å; L570-A573 PolarHBondContact O-N 3.48Å; A573-T575 VanDerWaalsContact C-N 3.31Å; A573-T575 PolarHBondContact O-N 2.79Å; A573-L576 PolarHBondContact O-N 3.33Å; A573-V577 WeakPolarHBondContact O-CB 3.29Å; A573-V577 VanDerWaalsContact O-CG2 3.26Å; A573-V577 WeakPolarHBondContact O-CG2 3.4Å; A573-V577 PolarHBondContact O-N 3.1Å |
| 574 | Q | 87.5 | Confident | 87.2 | Confident | 87 Ų | 87 | 97.7 Ų | 97.7 | 41% | 0.407 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 175.3 | -77.2 | 176.5 | 2.9 | 0 | 0 | 112.4 | L570 L571 R578 | L570-Q574 WeakPolarHBondContact O-CB 3.45Å; L570-Q574 VanDerWaalsContact O-CG 3.26Å; L570-Q574 WeakPolarHBondContact O-CG 3.38Å; L570-Q574 PolarHBondContact O-N 3.5Å; L571-Q574 PolarHBondContact O-N 2.87Å; Q574-R578 WeakPolarHBondContact O-CG 3.28Å; Q574-R578 PolarHBondContact O-N 3.32Å |
| 575 | T | 89.3 | Confident | 87.4 | Confident | 68 Ų | 68 | 93.8 Ų | 93.8 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 177.4 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | L571 A572 A573 V577 R578 E579 | L571-T575 WeakPolarHBondContact O-CB 2.79Å; L571-T575 PolarHBondContact O-N 2.9Å; L571-T575 PolarHBondContact O-OG1 3.38Å; A572-T575 PolarHBondContact O-N 3.02Å; A573-T575 VanDerWaalsContact C-N 3.31Å; A573-T575 PolarHBondContact O-N 2.79Å; T575-V577 VanDerWaalsContact C-N 3.33Å; T575-V577 PolarHBondContact O-N 3.26Å; T575-R578 PolarHBondContact O-N 3.12Å; T575-E579 WeakPolarHBondContact O-CG 3.46Å; T575-E579 PolarHBondContact O-N 3.18Å |
| 576 | L | 91.5 | Very high | 87.5 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | 175.8 | -172.2 | 68 | 0 | 0 | 0 | 112.1 | A572 A573 E579 T580 | A572-L576 WeakPolarHBondContact O-CB 3.37Å; A572-L576 PolarHBondContact O-N 2.91Å; A573-L576 PolarHBondContact O-N 3.33Å; L576-E579 PolarHBondContact O-N 2.82Å; L576-T580 WeakPolarHBondContact O-CB 3.4Å; L576-T580 WeakPolarHBondContact O-CG2 3.37Å; L576-T580 PolarHBondContact O-N 2.91Å; L576-T580 PolarHBondContact O-OG1 3.24Å |
| 577 | V | 87 | Confident | 87.6 | Confident | 73 Ų | 73 | 92.9 Ų | 92.9 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 173.7 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | A573 T575 E579 T580 E581 | A573-V577 WeakPolarHBondContact O-CB 3.29Å; A573-V577 VanDerWaalsContact O-CG2 3.26Å; A573-V577 WeakPolarHBondContact O-CG2 3.4Å; A573-V577 PolarHBondContact O-N 3.1Å; T575-V577 VanDerWaalsContact C-N 3.33Å; T575-V577 PolarHBondContact O-N 3.26Å; V577-E579 VanDerWaalsContact C-N 3.34Å; V577-E579 PolarHBondContact O-N 2.84Å; V577-T580 WeakPolarHBondContact CA-OG1 3.47Å; V577-T580 PolarHBondContact O-N 2.83Å; V577-T580 PolarHBondContact O-OG1 2.95Å; V577-E581 HydrophobicContact CG1-CG 4.31Å; V577-E581 WeakPolarHBondContact O-CB 3.46Å; V577-E581 WeakPolarHBondContact O-CG 3.45Å; V577-E581 PolarHBondContact O-N 2.8Å |
| 578 | R | 88.3 | Confident | 87.8 | Confident | 172 Ų | 172 | 93.1 Ų | 93.1 | 65% | 0.649 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.7 | -39.6 | 176.4 | -76.4 | 178.2 | 177.6 | 152.9 | 1.5 | 113 | Q574 T575 A582 | Q574-R578 WeakPolarHBondContact O-CG 3.28Å; Q574-R578 PolarHBondContact O-N 3.32Å; T575-R578 PolarHBondContact O-N 3.12Å; R578-A582 VanDerWaalsContact O-CB 3.32Å; R578-A582 WeakPolarHBondContact O-CB 3.31Å; R578-A582 PolarHBondContact O-N 3.03Å |
| 579 | E | 88.4 | Confident | 88 | Confident | 121 Ų | 121 | 96.3 Ų | 96.3 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.9 | -41.3 | 177.6 | -73.8 | 178.6 | 171.4 | 0 | 0 | 112.1 | T575 L576 V577 A582 A583 | T575-E579 WeakPolarHBondContact O-CG 3.46Å; T575-E579 PolarHBondContact O-N 3.18Å; L576-E579 PolarHBondContact O-N 2.82Å; V577-E579 VanDerWaalsContact C-N 3.34Å; V577-E579 PolarHBondContact O-N 2.84Å; E579-A582 PolarHBondContact O-N 3.35Å; E579-A583 WeakPolarHBondContact O-CB 3.49Å; E579-A583 PolarHBondContact O-N 3.23Å |
| 580 | T | 86.1 | Confident | 88.2 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | L576 V577 A583 L584 | L576-T580 WeakPolarHBondContact O-CB 3.4Å; L576-T580 WeakPolarHBondContact O-CG2 3.37Å; L576-T580 PolarHBondContact O-N 2.91Å; L576-T580 PolarHBondContact O-OG1 3.24Å; V577-T580 WeakPolarHBondContact CA-OG1 3.47Å; V577-T580 PolarHBondContact O-N 2.83Å; V577-T580 PolarHBondContact O-OG1 2.95Å; T580-A583 PolarHBondContact O-N 3.01Å; T580-L584 VanDerWaalsContact O-CB 3.31Å; T580-L584 WeakPolarHBondContact O-CB 3.39Å; T580-L584 PolarHBondContact O-N 3.02Å |
| 581 | E | 86.8 | Confident | 88.2 | Confident | 111 Ų | 111 | 96.8 Ų | 96.8 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 170.7 | -76.7 | 176.3 | 169.7 | 0 | 0 | 111.8 | V577 L584 N585 | V577-E581 HydrophobicContact CG1-CG 4.31Å; V577-E581 WeakPolarHBondContact O-CB 3.46Å; V577-E581 WeakPolarHBondContact O-CG 3.45Å; V577-E581 PolarHBondContact O-N 2.8Å; E581-L584 PolarHBondContact O-N 3.19Å; E581-N585 WeakPolarHBondContact O-CB 3.38Å; E581-N585 PolarHBondContact O-N 3.38Å; E581-N585 PolarHBondContact O-ND2 2.92Å |
| 582 | A | 89.1 | Confident | 88.2 | Confident | 37 Ų | 37 | 95.4 Ų | 95.4 | 31% | 0.306 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R578 E579 R586 | R578-A582 VanDerWaalsContact O-CB 3.32Å; R578-A582 WeakPolarHBondContact O-CB 3.31Å; R578-A582 PolarHBondContact O-N 3.03Å; E579-A582 PolarHBondContact O-N 3.35Å; A582-R586 VanDerWaalsContact O-CG 3.3Å; A582-R586 WeakPolarHBondContact O-CG 3.4Å; A582-R586 PolarHBondContact O-N 3.16Å; A582-R586 VanDerWaalsContact O-N 3.1Å |
| 583 | A | 88.7 | Confident | 88.3 | Confident | 53 Ų | 53 | 101 Ų | 101 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E579 T580 N585 R586 E587 | E579-A583 WeakPolarHBondContact O-CB 3.49Å; E579-A583 PolarHBondContact O-N 3.23Å; T580-A583 PolarHBondContact O-N 3.01Å; A583-N585 PolarHBondContact O-N 3.41Å; A583-R586 PolarHBondContact O-N 3.41Å; A583-E587 PolarHBondContact O-N 3.5Å |
| 584 | L | 89.1 | Confident | 88.5 | Confident | 107 Ų | 107 | 102.5 Ų | 102.5 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 176.5 | -174.9 | 67.4 | 0 | 0 | 0 | 111.6 | T580 E581 R586 E587 Q588 | T580-L584 VanDerWaalsContact O-CB 3.31Å; T580-L584 WeakPolarHBondContact O-CB 3.39Å; T580-L584 PolarHBondContact O-N 3.02Å; E581-L584 PolarHBondContact O-N 3.19Å; L584-R586 VanDerWaalsContact C-N 3.34Å; L584-R586 PolarHBondContact O-N 3.04Å; L584-E587 PolarHBondContact O-N 2.99Å; L584-Q588 WeakPolarHBondContact O-CB 3.38Å; L584-Q588 PolarHBondContact O-N 2.92Å |
| 585 | N | 88.8 | Confident | 88.4 | Confident | 89 Ų | 89 | 103.8 Ų | 103.8 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.4 | -82.8 | -36.5 | 0 | 0 | 0 | 112.3 | E581 A583 Q589 | E581-N585 WeakPolarHBondContact O-CB 3.38Å; E581-N585 PolarHBondContact O-N 3.38Å; E581-N585 PolarHBondContact O-ND2 2.92Å; A583-N585 PolarHBondContact O-N 3.41Å; N585-Q589 WeakPolarHBondContact O-CB 3.28Å; N585-Q589 VanDerWaalsContact O-CG 3.31Å; N585-Q589 WeakPolarHBondContact O-CG 3.49Å; N585-Q589 PolarHBondContact O-N 3.42Å |
| 586 | R | 89.7 | Confident | 88.4 | Confident | 178 Ų | 178 | 102.4 Ų | 102.4 | 67% | 0.672 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -42 | 175.1 | -72.1 | 172.3 | -167.1 | 164.8 | 5.3 | 111.6 | A582 A583 L584 Q589 R590 | A582-R586 VanDerWaalsContact O-CG 3.3Å; A582-R586 WeakPolarHBondContact O-CG 3.4Å; A582-R586 PolarHBondContact O-N 3.16Å; A582-R586 VanDerWaalsContact O-N 3.1Å; A583-R586 PolarHBondContact O-N 3.41Å; L584-R586 VanDerWaalsContact C-N 3.34Å; L584-R586 PolarHBondContact O-N 3.04Å; R586-Q589 PolarHBondContact O-N 3.17Å; R586-R590 WeakPolarHBondContact O-CB 3.1Å; R586-R590 PolarHBondContact O-N 3.35Å |
| 587 | E | 85.9 | Confident | 88.4 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 178.5 | -163 | 61 | -156.8 | 0 | 0 | 111.9 | A583 L584 R590 S591 | A583-E587 PolarHBondContact O-N 3.5Å; L584-E587 PolarHBondContact O-N 2.99Å; E587-R590 PolarHBondContact O-N 2.99Å; E587-S591 WeakPolarHBondContact O-CB 3.46Å; E587-S591 PolarHBondContact O-N 3.32Å |
| 588 | Q | 88.1 | Confident | 88.5 | Confident | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.2 | -43.2 | 171.3 | -88.1 | -177.5 | -20.1 | 0 | 0 | 112.1 | L584 S592 | L584-Q588 WeakPolarHBondContact O-CB 3.38Å; L584-Q588 PolarHBondContact O-N 2.92Å; Q588-S592 VanDerWaalsContact O-CB 3.23Å; Q588-S592 WeakPolarHBondContact O-CB 3.39Å; Q588-S592 PolarHBondContact O-N 2.96Å |
| 589 | Q | 89.7 | Confident | 88.5 | Confident | 118 Ų | 118 | 103.9 Ų | 103.9 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 175.5 | -76.5 | 179.9 | 0.1 | 0 | 0 | 112 | N585 R586 R593 | N585-Q589 WeakPolarHBondContact O-CB 3.28Å; N585-Q589 VanDerWaalsContact O-CG 3.31Å; N585-Q589 WeakPolarHBondContact O-CG 3.49Å; N585-Q589 PolarHBondContact O-N 3.42Å; R586-Q589 PolarHBondContact O-N 3.17Å; Q589-R593 WeakPolarHBondContact O-CG 3.36Å; Q589-R593 PolarHBondContact O-N 3.46Å |
| 590 | R | 90.8 | Very high | 88.6 | Confident | 144 Ų | 144 | 99.8 Ų | 99.8 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -49.6 | 176.1 | -174.3 | -176.8 | 179.3 | 166.6 | 5.3 | 111.4 | R586 E587 S592 R593 E594 | R586-R590 WeakPolarHBondContact O-CB 3.1Å; R586-R590 PolarHBondContact O-N 3.35Å; E587-R590 PolarHBondContact O-N 2.99Å; R590-S592 VanDerWaalsContact C-N 3.32Å; R590-S592 PolarHBondContact O-N 3.29Å; R590-R593 PolarHBondContact O-N 3.36Å; R590-R593 VanDerWaalsContact O-N 3.17Å; R590-E594 WeakPolarHBondContact CG-OE1 3.17Å; R590-E594 IonicContact CZ-OE1 3.39Å; R590-E594 IonicContact NE-OE1 2.78Å; R590-E594 PolarHBondContact NE-OE1 2.92Å; R590-E594 IonicContact NH2-OE1 2.67Å; R590-E594 WeakPolarHBondContact O-CG 3.28Å; R590-E594 PolarHBondContact O-N 3.41Å |
| 591 | S | 85.1 | Confident | 88.8 | Confident | 49 Ų | 49 | 104.3 Ų | 104.3 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 176.8 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | E587 E594 Q595 | E587-S591 WeakPolarHBondContact O-CB 3.46Å; E587-S591 PolarHBondContact O-N 3.32Å; S591-E594 PolarHBondContact O-N 2.93Å; S591-Q595 WeakPolarHBondContact O-CB 3.38Å; S591-Q595 VanDerWaalsContact O-CG 3.29Å; S591-Q595 WeakPolarHBondContact O-CG 3.3Å; S591-Q595 PolarHBondContact O-N 3.37Å |
| 592 | S | 89.9 | Confident | 88.9 | Confident | 76 Ų | 76 | 103.9 Ų | 103.9 | 53% | 0.531 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 175.1 | 176.2 | 0 | 0 | 0 | 0 | 112.6 | Q588 R590 G596 | Q588-S592 VanDerWaalsContact O-CB 3.23Å; Q588-S592 WeakPolarHBondContact O-CB 3.39Å; Q588-S592 PolarHBondContact O-N 2.96Å; R590-S592 VanDerWaalsContact C-N 3.32Å; R590-S592 PolarHBondContact O-N 3.29Å; S592-G596 PolarHBondContact O-N 3.11Å |
| 593 | R | 89.7 | Confident | 89 | Confident | 177 Ų | 177 | 104.6 Ų | 104.6 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66 | -47.2 | 174.2 | -73.5 | 174.5 | -175 | 177.6 | 2.9 | 111.9 | Q589 R590 Q595 G596 E597 | Q589-R593 WeakPolarHBondContact O-CG 3.36Å; Q589-R593 PolarHBondContact O-N 3.46Å; R590-R593 PolarHBondContact O-N 3.36Å; R590-R593 VanDerWaalsContact O-N 3.17Å; R593-Q595 VanDerWaalsContact C-N 3.33Å; R593-Q595 PolarHBondContact O-N 3.41Å; R593-G596 PolarHBondContact O-N 2.77Å; R593-G596 VanDerWaalsContact O-N 3.16Å; R593-E597 PolarHBondContact O-N 3.49Å |
| 594 | E | 90.1 | Very high | 89.1 | Confident | 84 Ų | 84 | 108 Ų | 108 | 39% | 0.393 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 177.7 | -71.1 | 174.7 | -171.7 | 0 | 0 | 111.3 | R590 S591 E597 L598 | R590-E594 WeakPolarHBondContact CG-OE1 3.17Å; R590-E594 IonicContact CZ-OE1 3.39Å; R590-E594 IonicContact NE-OE1 2.78Å; R590-E594 PolarHBondContact NE-OE1 2.92Å; R590-E594 IonicContact NH2-OE1 2.67Å; R590-E594 WeakPolarHBondContact O-CG 3.28Å; R590-E594 PolarHBondContact O-N 3.41Å; S591-E594 PolarHBondContact O-N 2.93Å; E594-E597 PolarHBondContact O-N 3.21Å; E594-L598 WeakPolarHBondContact O-CB 3.39Å; E594-L598 VanDerWaalsContact O-CG 3.25Å; E594-L598 WeakPolarHBondContact O-CG 3.23Å; E594-L598 PolarHBondContact O-N 3.49Å |
| 595 | Q | 84.9 | Confident | 89.1 | Confident | 115 Ų | 115 | 109.1 Ų | 109.1 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 172.4 | -77.9 | 179.3 | -2 | 0 | 0 | 112.2 | S591 R593 L598 Q599 | S591-Q595 WeakPolarHBondContact O-CB 3.38Å; S591-Q595 VanDerWaalsContact O-CG 3.29Å; S591-Q595 WeakPolarHBondContact O-CG 3.3Å; S591-Q595 PolarHBondContact O-N 3.37Å; R593-Q595 VanDerWaalsContact C-N 3.33Å; R593-Q595 PolarHBondContact O-N 3.41Å; Q595-L598 PolarHBondContact O-N 3.4Å; Q595-Q599 WeakPolarHBondContact O-CB 3.49Å; Q595-Q599 VanDerWaalsContact O-CG 3.31Å; Q595-Q599 WeakPolarHBondContact O-CG 3.46Å; Q595-Q599 PolarHBondContact O-N 3.09Å |
| 596 | G | 89.7 | Confident | 89.2 | Confident | 39 Ų | 39 | 109.6 Ų | 109.6 | 40% | 0.402 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | S592 R593 Q599 G600 | S592-G596 PolarHBondContact O-N 3.11Å; R593-G596 PolarHBondContact O-N 2.77Å; R593-G596 VanDerWaalsContact O-N 3.16Å; G596-Q599 PolarHBondContact O-N 3.2Å; G596-G600 PolarHBondContact O-N 2.94Å |
| 597 | E | 90.3 | Very high | 89.3 | Confident | 135 Ų | 135 | 104.7 Ų | 104.7 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 175.5 | -73.9 | 179.1 | -172 | 0 | 0 | 112 | R593 E594 G600 R601 | R593-E597 PolarHBondContact O-N 3.49Å; E594-E597 PolarHBondContact O-N 3.21Å; E597-G600 PolarHBondContact O-N 3.44Å; E597-R601 WeakPolarHBondContact O-CG 3.15Å; E597-R601 PolarHBondContact O-N 2.95Å |
| 598 | L | 89.8 | Confident | 89.6 | Confident | 110 Ų | 110 | 104.2 Ų | 104.2 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.6 | -40.3 | 177 | -72.2 | 172.6 | 0 | 0 | 0 | 112.1 | E594 Q595 R601 L602 | E594-L598 WeakPolarHBondContact O-CB 3.39Å; E594-L598 VanDerWaalsContact O-CG 3.25Å; E594-L598 WeakPolarHBondContact O-CG 3.23Å; E594-L598 PolarHBondContact O-N 3.49Å; Q595-L598 PolarHBondContact O-N 3.4Å; L598-R601 PolarHBondContact O-N 3.35Å; L598-L602 WeakPolarHBondContact O-CB 3.22Å; L598-L602 PolarHBondContact O-N 2.88Å |
| 599 | Q | 88.2 | Confident | 89.6 | Confident | 137 Ų | 137 | 103 Ų | 103 | 64% | 0.64 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 173.4 | -79.1 | 177.6 | -7.8 | 0 | 0 | 111.7 | Q595 G596 L602 A603 | Q595-Q599 WeakPolarHBondContact O-CB 3.49Å; Q595-Q599 VanDerWaalsContact O-CG 3.31Å; Q595-Q599 WeakPolarHBondContact O-CG 3.46Å; Q595-Q599 PolarHBondContact O-N 3.09Å; G596-Q599 PolarHBondContact O-N 3.2Å; Q599-L602 PolarHBondContact O-N 3.32Å; Q599-A603 WeakPolarHBondContact O-CB 3.41Å; Q599-A603 PolarHBondContact O-N 3.1Å |
| 600 | G | 89.9 | Confident | 89.7 | Confident | 35 Ų | 35 | 103.6 Ų | 103.6 | 36% | 0.361 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G596 E597 L602 A603 E604 | G596-G600 PolarHBondContact O-N 2.94Å; E597-G600 PolarHBondContact O-N 3.44Å; G600-L602 VanDerWaalsContact C-N 3.34Å; G600-L602 PolarHBondContact O-N 3.15Å; G600-A603 PolarHBondContact O-N 3.48Å; G600-E604 WeakPolarHBondContact O-CG 3.5Å; G600-E604 PolarHBondContact O-N 3.36Å |
| 601 | R | 90.9 | Very high | 89.8 | Confident | 172 Ų | 172 | 98.2 Ų | 98.2 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -36.2 | 176.7 | -72.7 | 178.2 | 66.3 | -176.3 | 0.1 | 113 | E597 L598 K605 | E597-R601 WeakPolarHBondContact O-CG 3.15Å; E597-R601 PolarHBondContact O-N 2.95Å; L598-R601 PolarHBondContact O-N 3.35Å; R601-K605 WeakPolarHBondContact O-CB 3.08Å; R601-K605 VanDerWaalsContact O-CG 3.28Å; R601-K605 WeakPolarHBondContact O-CG 3.02Å; R601-K605 PolarHBondContact O-N 2.92Å |
| 602 | L | 89.5 | Confident | 90.1 | Very high | 101 Ų | 101 | 100.7 Ų | 100.7 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 175.1 | -176.8 | 66.2 | 0 | 0 | 0 | 110.5 | L598 Q599 G600 E604 K605 E606 | L598-L602 WeakPolarHBondContact O-CB 3.22Å; L598-L602 PolarHBondContact O-N 2.88Å; Q599-L602 PolarHBondContact O-N 3.32Å; G600-L602 VanDerWaalsContact C-N 3.34Å; G600-L602 PolarHBondContact O-N 3.15Å; L602-E604 VanDerWaalsContact C-N 3.35Å; L602-E604 PolarHBondContact O-N 3.29Å; L602-K605 PolarHBondContact O-N 3.41Å; L602-K605 VanDerWaalsContact O-N 3.1Å; L602-E606 WeakPolarHBondContact O-CG 3.43Å; L602-E606 PolarHBondContact O-N 2.97Å |
| 603 | A | 90.4 | Very high | 90.2 | Very high | 53 Ų | 53 | 104.1 Ų | 104.1 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q599 G600 E606 S607 | Q599-A603 WeakPolarHBondContact O-CB 3.41Å; Q599-A603 PolarHBondContact O-N 3.1Å; G600-A603 PolarHBondContact O-N 3.48Å; A603-E606 PolarHBondContact O-N 2.92Å; A603-S607 WeakPolarHBondContact O-CB 3.25Å; A603-S607 PolarHBondContact O-N 2.95Å |
| 604 | E | 90.6 | Very high | 90.3 | Very high | 125 Ų | 125 | 100.2 Ų | 100.2 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 172.8 | -76.7 | 179.8 | 179.8 | 0 | 0 | 112.1 | G600 L602 S607 Q608 | G600-E604 WeakPolarHBondContact O-CG 3.5Å; G600-E604 PolarHBondContact O-N 3.36Å; L602-E604 VanDerWaalsContact C-N 3.35Å; L602-E604 PolarHBondContact O-N 3.29Å; E604-S607 PolarHBondContact O-N 3.23Å; E604-Q608 WeakPolarHBondContact O-CB 3.37Å; E604-Q608 VanDerWaalsContact O-CG 3.3Å; E604-Q608 WeakPolarHBondContact O-CG 3.41Å; E604-Q608 PolarHBondContact O-N 3.41Å |
| 605 | K | 90.3 | Very high | 90.4 | Very high | 129 Ų | 129 | 103.1 Ų | 103.1 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.7 | -41.7 | 178 | -76.8 | -73.1 | 168.1 | -156.6 | 0 | 112.3 | R601 L602 S607 Q608 E609 | R601-K605 WeakPolarHBondContact O-CB 3.08Å; R601-K605 VanDerWaalsContact O-CG 3.28Å; R601-K605 WeakPolarHBondContact O-CG 3.02Å; R601-K605 PolarHBondContact O-N 2.92Å; L602-K605 PolarHBondContact O-N 3.41Å; L602-K605 VanDerWaalsContact O-N 3.1Å; K605-S607 VanDerWaalsContact C-N 3.34Å; K605-Q608 PolarHBondContact O-N 3.26Å; K605-E609 WeakPolarHBondContact O-CB 3.32Å; K605-E609 PolarHBondContact O-N 3.36Å |
| 606 | E | 89.5 | Confident | 90.8 | Very high | 99 Ų | 99 | 101.2 Ų | 101.2 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 174.1 | -73.5 | 176.7 | 169.3 | 0 | 0 | 111.2 | L602 A603 E609 Q610 | L602-E606 WeakPolarHBondContact O-CG 3.43Å; L602-E606 PolarHBondContact O-N 2.97Å; A603-E606 PolarHBondContact O-N 2.92Å; E606-E609 PolarHBondContact O-N 2.87Å; E606-Q610 WeakPolarHBondContact O-CB 3.48Å; E606-Q610 VanDerWaalsContact O-CG 3.27Å; E606-Q610 WeakPolarHBondContact O-CG 3.48Å; E606-Q610 PolarHBondContact O-N 3.02Å |
| 607 | S | 92.2 | Very high | 90.9 | Very high | 75 Ų | 75 | 101.7 Ų | 101.7 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | A603 E604 K605 Q610 G611 | A603-S607 WeakPolarHBondContact O-CB 3.25Å; A603-S607 PolarHBondContact O-N 2.95Å; E604-S607 PolarHBondContact O-N 3.23Å; K605-S607 VanDerWaalsContact C-N 3.34Å; S607-Q610 PolarHBondContact O-N 3.26Å; S607-G611 PolarHBondContact O-N 2.98Å |
| 608 | Q | 92.4 | Very high | 91 | Very high | 98 Ų | 98 | 98.1 Ų | 98.1 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 175.1 | -76.9 | 174.7 | 6.3 | 0 | 0 | 112.1 | E604 K605 G611 L612 | E604-Q608 WeakPolarHBondContact O-CB 3.37Å; E604-Q608 VanDerWaalsContact O-CG 3.3Å; E604-Q608 WeakPolarHBondContact O-CG 3.41Å; E604-Q608 PolarHBondContact O-N 3.41Å; K605-Q608 PolarHBondContact O-N 3.26Å; Q608-G611 PolarHBondContact O-N 3.38Å; Q608-L612 WeakPolarHBondContact O-CG 3.22Å; Q608-L612 PolarHBondContact O-N 3.41Å |
| 609 | E | 88.8 | Confident | 91.2 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 179 | -171 | -178.1 | 152 | 0 | 0 | 111.6 | K605 E606 G611 L612 R613 | K605-E609 WeakPolarHBondContact O-CB 3.32Å; K605-E609 PolarHBondContact O-N 3.36Å; E606-E609 PolarHBondContact O-N 2.87Å; E609-G611 VanDerWaalsContact C-N 3.34Å; E609-G611 PolarHBondContact O-N 3.1Å; E609-L612 PolarHBondContact O-N 2.87Å; E609-R613 WeakPolarHBondContact O-CG 3.44Å; E609-R613 PolarHBondContact O-N 3.17Å; E609-R613 IonicContact OE1-CZ 2.65Å; E609-R613 IonicContact OE1-NH1 2.95Å; E609-R613 PolarHBondContact OE1-NH1 3.08Å; E609-R613 IonicContact OE1-NH2 2.87Å; E609-R613 PolarHBondContact OE1-NH2 3.24Å |
| 610 | Q | 91.3 | Very high | 91.5 | Very high | 129 Ų | 129 | 94.5 Ų | 94.5 | 60% | 0.603 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.9 | -44.1 | 172.1 | -73.3 | 174.1 | 7.6 | 0 | 0 | 111.4 | E606 S607 L612 R613 Q614 | E606-Q610 WeakPolarHBondContact O-CB 3.48Å; E606-Q610 VanDerWaalsContact O-CG 3.27Å; E606-Q610 WeakPolarHBondContact O-CG 3.48Å; E606-Q610 PolarHBondContact O-N 3.02Å; S607-Q610 PolarHBondContact O-N 3.26Å; Q610-L612 PolarHBondContact O-N 2.98Å; Q610-R613 PolarHBondContact O-N 2.93Å; Q610-Q614 PolarHBondContact O-N 3.5Å |
| 611 | G | 92.4 | Very high | 91.7 | Very high | 31 Ų | 31 | 93.9 Ų | 93.9 | 32% | 0.32 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.5 | -33.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | S607 Q608 E609 R615 | S607-G611 PolarHBondContact O-N 2.98Å; Q608-G611 PolarHBondContact O-N 3.38Å; E609-G611 VanDerWaalsContact C-N 3.34Å; E609-G611 PolarHBondContact O-N 3.1Å; G611-R615 WeakPolarHBondContact O-CB 3.33Å; G611-R615 WeakPolarHBondContact O-CG 3.2Å; G611-R615 PolarHBondContact O-N 3.09Å; G611-R615 VanDerWaalsContact O-N 3.15Å; G611-R615 PolarHBondContact O-NE 2.94Å |
| 612 | L | 91.7 | Very high | 91.9 | Very high | 102 Ų | 102 | 88.2 Ų | 88.2 | 53% | 0.534 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72 | -41.4 | 173.3 | -76 | 168.2 | 0 | 0 | 0 | 111.9 | Q608 E609 Q610 Q614 R615 L616 | Q608-L612 WeakPolarHBondContact O-CG 3.22Å; Q608-L612 PolarHBondContact O-N 3.41Å; E609-L612 PolarHBondContact O-N 2.87Å; Q610-L612 PolarHBondContact O-N 2.98Å; L612-Q614 PolarHBondContact O-N 2.63Å; L612-R615 PolarHBondContact O-N 3.06Å; L612-L616 PolarHBondContact O-N 3.19Å |
| 613 | R | 91.6 | Very high | 92.1 | Very high | 147 Ų | 147 | 87.4 Ų | 87.4 | 56% | 0.555 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60 | -44.9 | 174.4 | -78 | -176.2 | 174.1 | 118.5 | 6.6 | 111.7 | E609 Q610 L616 L617 | E609-R613 WeakPolarHBondContact O-CG 3.44Å; E609-R613 PolarHBondContact O-N 3.17Å; E609-R613 IonicContact OE1-CZ 2.65Å; E609-R613 IonicContact OE1-NH1 2.95Å; E609-R613 PolarHBondContact OE1-NH1 3.08Å; E609-R613 IonicContact OE1-NH2 2.87Å; E609-R613 PolarHBondContact OE1-NH2 3.24Å; Q610-R613 PolarHBondContact O-N 2.93Å; R613-L616 PolarHBondContact O-N 3.15Å; R613-L617 WeakPolarHBondContact O-CG 3.23Å; R613-L617 PolarHBondContact O-N 3.3Å; R613-L617 VanDerWaalsContact O-N 3.12Å |
| 614 | Q | 92.3 | Very high | 92.4 | Very high | 96 Ų | 96 | 84.9 Ų | 84.9 | 45% | 0.449 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 177.8 | -172.3 | 59.8 | 42.2 | 0 | 0 | 111.5 | Q610 L612 L616 L617 D618 | Q610-Q614 PolarHBondContact O-N 3.5Å; L612-Q614 PolarHBondContact O-N 2.63Å; Q614-L616 PolarHBondContact O-N 3.38Å; Q614-L617 PolarHBondContact O-N 2.97Å; Q614-D618 PolarHBondContact NE2-OD1 3.26Å; Q614-D618 PolarHBondContact NE2-OD2 3.17Å; Q614-D618 PolarHBondContact O-N 2.99Å |
| 615 | R | 92.9 | Very high | 92.6 | Very high | 144 Ų | 144 | 82.8 Ų | 82.8 | 54% | 0.543 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 175.6 | -81.5 | -174.2 | -76.2 | 173.4 | -6.8 | 112.8 | G611 L612 L617 D618 E619 | G611-R615 WeakPolarHBondContact O-CB 3.33Å; G611-R615 WeakPolarHBondContact O-CG 3.2Å; G611-R615 PolarHBondContact O-N 3.09Å; G611-R615 VanDerWaalsContact O-N 3.15Å; G611-R615 PolarHBondContact O-NE 2.94Å; L612-R615 PolarHBondContact O-N 3.06Å; R615-L617 VanDerWaalsContact C-N 3.34Å; R615-L617 PolarHBondContact O-N 3.23Å; R615-D618 PolarHBondContact O-N 3.14Å; R615-E619 WeakPolarHBondContact O-CB 3.33Å; R615-E619 WeakPolarHBondContact O-CG 3.42Å; R615-E619 PolarHBondContact O-N 3.07Å |
| 616 | L | 91.7 | Very high | 92.8 | Very high | 75 Ų | 75 | 78.7 Ų | 78.7 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 175.6 | 177.5 | 64.2 | 0 | 0 | 0 | 111.2 | L612 R613 Q614 D618 E619 Q620 A683 | L612-L616 PolarHBondContact O-N 3.19Å; R613-L616 PolarHBondContact O-N 3.15Å; Q614-L616 PolarHBondContact O-N 3.38Å; L616-D618 VanDerWaalsContact C-N 3.32Å; L616-D618 PolarHBondContact O-N 3.41Å; L616-E619 PolarHBondContact O-N 3.4Å; L616-Q620 HydrophobicContact CD1-CG 4.01Å; L616-Q620 HydrophobicContact CG-CG 4.36Å; L616-Q620 WeakPolarHBondContact O-CB 3.27Å; L616-Q620 WeakPolarHBondContact O-CG 3.37Å; L616-Q620 PolarHBondContact O-N 2.79Å; L616-A683 HydrophobicContact CD2-CB 4.14Å |
| 617 | L | 93.1 | Very high | 93.1 | Very high | 49 Ų | 49 | 74.8 Ų | 74.8 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 178.2 | -66.5 | 174.9 | 0 | 0 | 0 | 112.3 | R613 Q614 R615 F621 L682 A683 | R613-L617 WeakPolarHBondContact O-CG 3.23Å; R613-L617 PolarHBondContact O-N 3.3Å; R613-L617 VanDerWaalsContact O-N 3.12Å; Q614-L617 PolarHBondContact O-N 2.97Å; R615-L617 VanDerWaalsContact C-N 3.34Å; R615-L617 PolarHBondContact O-N 3.23Å; L617-F621 WeakPolarHBondContact O-CB 3.45Å; L617-F621 PolarHBondContact O-N 3.47Å; L617-F621 VanDerWaalsContact O-N 3.09Å; L617-L682 HydrophobicContact CD2-CB 3.8Å; L617-A683 HydrophobicContact CD2-CB 4.18Å |
| 618 | D | 92.5 | Very high | 93.2 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 33% | 0.326 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72 | -39.2 | 179.8 | -65.6 | -27.7 | 0 | 0 | 0 | 111.8 | Q614 R615 L616 F621 A622 R742 | Q614-D618 PolarHBondContact NE2-OD1 3.26Å; Q614-D618 PolarHBondContact NE2-OD2 3.17Å; Q614-D618 PolarHBondContact O-N 2.99Å; R615-D618 PolarHBondContact O-N 3.14Å; L616-D618 VanDerWaalsContact C-N 3.32Å; L616-D618 PolarHBondContact O-N 3.41Å; D618-F621 PolarHBondContact O-N 3.49Å; D618-A622 WeakPolarHBondContact O-CB 3.43Å; D618-A622 PolarHBondContact O-N 2.84Å; D618-R742 IonicContact OD1-CZ 3.1Å; D618-R742 IonicContact OD1-NH1 3.27Å; D618-R742 PolarHBondContact OD1-NH1 3.35Å; D618-R742 IonicContact OD1-NH2 2.64Å; D618-R742 PolarHBondContact OD1-NH2 3.08Å; D618-R742 VanDerWaalsContact OD1-NH2 3.1Å |
| 619 | E | 93.1 | Very high | 93.4 | Very high | 124 Ų | 124 | 68.7 Ų | 68.7 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.7 | -43.4 | 173.8 | -75.2 | 177.5 | -174.2 | 0 | 0 | 112.1 | R615 L616 F621 A622 V623 | R615-E619 WeakPolarHBondContact O-CB 3.33Å; R615-E619 WeakPolarHBondContact O-CG 3.42Å; R615-E619 PolarHBondContact O-N 3.07Å; L616-E619 PolarHBondContact O-N 3.4Å; E619-F621 VanDerWaalsContact C-N 3.33Å; E619-F621 PolarHBondContact O-N 3.09Å; E619-A622 WeakPolarHBondContact O-CB 3.44Å; E619-A622 PolarHBondContact O-N 2.82Å; E619-V623 WeakPolarHBondContact O-CG2 3.3Å; E619-V623 PolarHBondContact O-N 3.01Å |
| 620 | Q | 94.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 70.6 Ų | 70.6 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 177.4 | -69.9 | -71.2 | -28.1 | 0 | 0 | 111.6 | L616 V623 L624 A683 | L616-Q620 HydrophobicContact CD1-CG 4.01Å; L616-Q620 HydrophobicContact CG-CG 4.36Å; L616-Q620 WeakPolarHBondContact O-CB 3.27Å; L616-Q620 WeakPolarHBondContact O-CG 3.37Å; L616-Q620 PolarHBondContact O-N 2.79Å; Q620-V623 PolarHBondContact O-N 3.31Å; Q620-L624 PolarHBondContact O-N 3.03Å; Q620-L624 VanDerWaalsContact O-N 3.13Å; Q620-A683 VanDerWaalsContact CD-O 3.29Å; Q620-A683 WeakPolarHBondContact CG-O 3.36Å |
| 621 | F | 94.6 | Very high | 94 | Very high | 22 Ų | 22 | 64.6 Ų | 64.6 | 10% | 0.096 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 173.4 | -178.8 | -107 | 0 | 0 | 0 | 112.1 | L617 D618 E619 V623 L624 Q625 R742 L745 | L617-F621 WeakPolarHBondContact O-CB 3.45Å; L617-F621 PolarHBondContact O-N 3.47Å; L617-F621 VanDerWaalsContact O-N 3.09Å; D618-F621 PolarHBondContact O-N 3.49Å; E619-F621 VanDerWaalsContact C-N 3.33Å; E619-F621 PolarHBondContact O-N 3.09Å; F621-V623 VanDerWaalsContact C-N 3.32Å; F621-V623 PolarHBondContact O-N 3.16Å; F621-L624 PolarHBondContact O-N 3.41Å; F621-Q625 WeakPolarHBondContact O-CB 3.43Å; F621-Q625 PolarHBondContact O-N 3.46Å; F621-R742 HydrophobicContact CD2-CG 4.22Å; F621-R742 HydrophobicContact CE1-CB 3.98Å; F621-R742 HydrophobicContact CE1-CG 4.29Å; F621-R742 HydrophobicContact CE2-CB 3.92Å; F621-R742 HydrophobicContact CE2-CG 3.99Å; F621-R742 HydrophobicContact CG-CG 4.48Å; F621-R742 HydrophobicContact CZ-CB 3.57Å; F621-R742 HydrophobicContact CZ-CG 4.03Å; F621-L745 HydrophobicContact CD2-CD1 3.95Å; F621-L745 HydrophobicContact CE2-CD1 3.69Å; F621-L745 HydrophobicContact CE2-CG 4.31Å |
| 622 | A | 94.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 64 Ų | 64 | 44% | 0.438 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D618 E619 Q625 G626 | D618-A622 WeakPolarHBondContact O-CB 3.43Å; D618-A622 PolarHBondContact O-N 2.84Å; E619-A622 WeakPolarHBondContact O-CB 3.44Å; E619-A622 PolarHBondContact O-N 2.82Å; A622-Q625 PolarHBondContact O-N 3.49Å; A622-G626 PolarHBondContact O-N 3.03Å |
| 623 | V | 95.1 | Very high | 94.5 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 174.4 | 173 | 0 | 0 | 0 | 0 | 111.1 | E619 Q620 F621 G626 A627 V689 | E619-V623 WeakPolarHBondContact O-CG2 3.3Å; E619-V623 PolarHBondContact O-N 3.01Å; Q620-V623 PolarHBondContact O-N 3.31Å; F621-V623 VanDerWaalsContact C-N 3.32Å; F621-V623 PolarHBondContact O-N 3.16Å; V623-G626 PolarHBondContact O-N 2.78Å; V623-A627 WeakPolarHBondContact O-CB 3.37Å; V623-A627 PolarHBondContact O-N 2.72Å; V623-V689 HydrophobicContact CG1-CG2 4.16Å |
| 624 | L | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 175 | 176.7 | 61.5 | 0 | 0 | 0 | 111.6 | Q620 F621 G626 A627 A628 Y678 A685 L688 V689 L745 | Q620-L624 PolarHBondContact O-N 3.03Å; Q620-L624 VanDerWaalsContact O-N 3.13Å; F621-L624 PolarHBondContact O-N 3.41Å; L624-G626 PolarHBondContact O-N 2.64Å; L624-A627 PolarHBondContact O-N 3.14Å; L624-A628 WeakPolarHBondContact O-CB 3.31Å; L624-A628 PolarHBondContact O-N 2.95Å; L624-Y678 HydrophobicContact CD2-CD1 3.88Å; L624-Y678 HydrophobicContact CD2-CE1 3.38Å; L624-A685 HydrophobicContact CB-CB 4.34Å; L624-L688 HydrophobicContact CD1-CD2 3.53Å; L624-L688 HydrophobicContact CD1-CG 3.76Å; L624-L688 HydrophobicContact CD2-CD2 3.89Å; L624-L688 HydrophobicContact CG-CD2 4.38Å; L624-V689 HydrophobicContact CD1-CG2 4.4Å; L624-L745 HydrophobicContact CD2-CD2 3.94Å |
| 625 | Q | 94.9 | Very high | 95 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 178.6 | -174.2 | 178.5 | 56.6 | 0 | 0 | 111.4 | F621 A622 A628 A629 Q740 | F621-Q625 WeakPolarHBondContact O-CB 3.43Å; F621-Q625 PolarHBondContact O-N 3.46Å; A622-Q625 PolarHBondContact O-N 3.49Å; Q625-A628 PolarHBondContact O-N 3.26Å; Q625-A629 WeakPolarHBondContact O-CB 3.31Å; Q625-A629 PolarHBondContact O-N 3.25Å; Q625-Q740 HydrophobicContact CG-CB 4.21Å; Q625-Q740 HydrophobicContact CG-CG 4.17Å; Q625-Q740 PolarHBondContact NE2-O 3.49Å; Q625-Q740 VanDerWaalsContact NE2-O 3.08Å |
| 626 | G | 94.5 | Very high | 95.2 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A622 V623 L624 A629 E630 | A622-G626 PolarHBondContact O-N 3.03Å; V623-G626 PolarHBondContact O-N 2.78Å; L624-G626 PolarHBondContact O-N 2.64Å; G626-A629 PolarHBondContact O-N 3.38Å; G626-E630 PolarHBondContact O-N 3.02Å |
| 627 | A | 95.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V623 L624 E630 A631 V689 L692 | V623-A627 WeakPolarHBondContact O-CB 3.37Å; V623-A627 PolarHBondContact O-N 2.72Å; L624-A627 PolarHBondContact O-N 3.14Å; A627-E630 PolarHBondContact O-N 3.34Å; A627-A631 VanDerWaalsContact O-CB 3.27Å; A627-A631 WeakPolarHBondContact O-CB 3.47Å; A627-A631 PolarHBondContact O-N 3.26Å; A627-V689 HydrophobicContact CB-CB 4.39Å; A627-V689 HydrophobicContact CB-CG1 3.84Å; A627-V689 HydrophobicContact CB-CG2 3.99Å; A627-L692 HydrophobicContact CB-CD2 4.01Å |
| 628 | A | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L624 Q625 A632 L692 L739 Q740 | L624-A628 WeakPolarHBondContact O-CB 3.31Å; L624-A628 PolarHBondContact O-N 2.95Å; Q625-A628 PolarHBondContact O-N 3.26Å; A628-A632 WeakPolarHBondContact O-CB 3.49Å; A628-A632 PolarHBondContact O-N 3.02Å; A628-L692 HydrophobicContact CB-CD2 4.01Å; A628-L739 HydrophobicContact CB-CB 3.94Å; A628-Q740 HydrophobicContact CB-CG 3.79Å |
| 629 | A | 96.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 45.8 Ų | 45.8 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | Q625 G626 A632 G633 | Q625-A629 WeakPolarHBondContact O-CB 3.31Å; Q625-A629 PolarHBondContact O-N 3.25Å; G626-A629 PolarHBondContact O-N 3.38Å; A629-A632 WeakPolarHBondContact O-CB 3.37Å; A629-A632 PolarHBondContact O-N 3.45Å; A629-G633 PolarHBondContact O-N 3.47Å |
| 630 | E | 96.3 | Very high | 95.7 | Very high | 133 Ų | 133 | 42.5 Ų | 42.5 | 62% | 0.621 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | 176.7 | -172.4 | 65.5 | -164.7 | 0 | 0 | 111.6 | G626 A627 A632 G633 I634 | G626-E630 PolarHBondContact O-N 3.02Å; A627-E630 PolarHBondContact O-N 3.34Å; E630-A632 VanDerWaalsContact C-N 3.29Å; E630-A632 PolarHBondContact O-N 3.26Å; E630-G633 WeakPolarHBondContact O-CA 3.07Å; E630-G633 PolarHBondContact O-N 3.28Å; E630-G633 VanDerWaalsContact O-N 3.08Å; E630-I634 HydrophobicContact CG-CD1 4.41Å; E630-I634 WeakPolarHBondContact O-CG1 3.29Å; E630-I634 PolarHBondContact O-N 2.89Å |
| 631 | A | 97 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A627 I634 L635 L692 M736 | A627-A631 VanDerWaalsContact O-CB 3.27Å; A627-A631 WeakPolarHBondContact O-CB 3.47Å; A627-A631 PolarHBondContact O-N 3.26Å; A631-I634 PolarHBondContact O-N 2.95Å; A631-L635 WeakPolarHBondContact O-CD1 3.33Å; A631-L635 VanDerWaalsContact O-CG 3.31Å; A631-L635 WeakPolarHBondContact O-CG 3.19Å; A631-L635 PolarHBondContact O-N 3.37Å; A631-L635 VanDerWaalsContact O-N 3.1Å; A631-L692 HydrophobicContact CB-CD2 4.44Å; A631-L692 HydrophobicContact CB-CG 4.12Å; A631-M736 HydrophobicContact CB-CG 4.28Å; A631-M736 HydrophobicContact CB-SD 3.52Å; A631-M736 VanDerWaalsContact CB-SD 3.52Å |
| 632 | A | 96.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A628 A629 E630 L635 Q636 L733 M736 | A628-A632 WeakPolarHBondContact O-CB 3.49Å; A628-A632 PolarHBondContact O-N 3.02Å; A629-A632 WeakPolarHBondContact O-CB 3.37Å; A629-A632 PolarHBondContact O-N 3.45Å; E630-A632 VanDerWaalsContact C-N 3.29Å; E630-A632 PolarHBondContact O-N 3.26Å; A632-L635 PolarHBondContact O-N 3.08Å; A632-Q636 VanDerWaalsContact O-CB 3.24Å; A632-Q636 WeakPolarHBondContact O-CB 3.16Å; A632-Q636 PolarHBondContact O-N 3.49Å; A632-L733 HydrophobicContact CB-CD2 4.14Å; A632-L733 VanDerWaalsContact O-CD2 3.3Å; A632-L733 WeakPolarHBondContact O-CD2 3.27Å; A632-M736 HydrophobicContact CB-CB 3.81Å; A632-M736 HydrophobicContact CB-CG 4.1Å |
| 633 | G | 96.6 | Very high | 95.1 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A629 E630 L635 Q636 D637 | A629-G633 PolarHBondContact O-N 3.47Å; E630-G633 WeakPolarHBondContact O-CA 3.07Å; E630-G633 PolarHBondContact O-N 3.28Å; E630-G633 VanDerWaalsContact O-N 3.08Å; G633-L635 VanDerWaalsContact C-N 3.34Å; G633-L635 PolarHBondContact O-N 3.5Å; G633-Q636 PolarHBondContact O-N 2.97Å; G633-D637 WeakPolarHBondContact O-CB 3.49Å; G633-D637 PolarHBondContact O-N 3.44Å |
| 634 | I | 97.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 19% | 0.185 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 178.1 | -67.2 | 164 | 0 | 0 | 0 | 111.5 | E630 A631 A638 A700 | E630-I634 HydrophobicContact CG-CD1 4.41Å; E630-I634 WeakPolarHBondContact O-CG1 3.29Å; E630-I634 PolarHBondContact O-N 2.89Å; A631-I634 PolarHBondContact O-N 2.95Å; I634-A638 PolarHBondContact O-N 3.29Å; I634-A638 VanDerWaalsContact O-N 3.09Å; I634-A700 HydrophobicContact CG2-CB 3.72Å |
| 635 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 179.9 | -70.5 | 165.3 | 0 | 0 | 0 | 111.9 | A631 A632 G633 D637 A638 V639 A699 I703 A732 L733 M736 | A631-L635 WeakPolarHBondContact O-CD1 3.33Å; A631-L635 VanDerWaalsContact O-CG 3.31Å; A631-L635 WeakPolarHBondContact O-CG 3.19Å; A631-L635 PolarHBondContact O-N 3.37Å; A631-L635 VanDerWaalsContact O-N 3.1Å; A632-L635 PolarHBondContact O-N 3.08Å; G633-L635 VanDerWaalsContact C-N 3.34Å; G633-L635 PolarHBondContact O-N 3.5Å; L635-D637 VanDerWaalsContact C-N 3.33Å; L635-D637 PolarHBondContact O-N 3.21Å; L635-A638 WeakPolarHBondContact O-CB 3.27Å; L635-A638 PolarHBondContact O-N 3.19Å; L635-V639 WeakPolarHBondContact O-CG2 3.46Å; L635-V639 PolarHBondContact O-N 3.4Å; L635-A699 HydrophobicContact CD2-CB 3.81Å; L635-I703 HydrophobicContact CD2-CD1 4.49Å; L635-A732 HydrophobicContact CD1-CB 3.66Å; L635-A732 HydrophobicContact CD2-CB 4.17Å; L635-A732 HydrophobicContact CG-CB 4.48Å; L635-L733 HydrophobicContact CB-CD2 3.94Å; L635-L733 HydrophobicContact CB-CG 4.34Å; L635-M736 HydrophobicContact CD1-CG 3.94Å |
| 636 | Q | 97 | Very high | 93.3 | Very high | 97 Ų | 97 | 52 Ų | 52 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 177 | -174.5 | 63 | 59.9 | 0 | 0 | 111.1 | A632 G633 A638 V639 S640 L733 | A632-Q636 VanDerWaalsContact O-CB 3.24Å; A632-Q636 WeakPolarHBondContact O-CB 3.16Å; A632-Q636 PolarHBondContact O-N 3.49Å; G633-Q636 PolarHBondContact O-N 2.97Å; Q636-A638 VanDerWaalsContact C-N 3.34Å; Q636-V639 PolarHBondContact O-N 3.26Å; Q636-S640 WeakPolarHBondContact O-CB 3.16Å; Q636-S640 PolarHBondContact O-N 2.89Å; Q636-S640 PolarHBondContact O-OG 3.28Å; Q636-L733 HydrophobicContact CB-CD2 4.14Å; Q636-L733 VanDerWaalsContact OE1-CD1 3.31Å |
| 637 | D | 95.1 | Very high | 92.9 | Very high | 99 Ų | 99 | 50.6 Ų | 50.6 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174 | -82.1 | 1.8 | 0 | 0 | 0 | 111.2 | G633 L635 S640 K641 | G633-D637 WeakPolarHBondContact O-CB 3.49Å; G633-D637 PolarHBondContact O-N 3.44Å; L635-D637 VanDerWaalsContact C-N 3.33Å; L635-D637 PolarHBondContact O-N 3.21Å; D637-S640 PolarHBondContact O-N 3.25Å; D637-S640 PolarHBondContact O-OG 3.37Å; D637-K641 WeakPolarHBondContact O-CG 3.35Å; D637-K641 PolarHBondContact O-N 3.43Å |
| 638 | A | 96.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I634 L635 Q636 K641 A700 I703 V704 | I634-A638 PolarHBondContact O-N 3.29Å; I634-A638 VanDerWaalsContact O-N 3.09Å; L635-A638 WeakPolarHBondContact O-CB 3.27Å; L635-A638 PolarHBondContact O-N 3.19Å; Q636-A638 VanDerWaalsContact C-N 3.34Å; A638-K641 WeakPolarHBondContact O-CB 3.49Å; A638-K641 PolarHBondContact O-N 3.02Å; A638-A700 HydrophobicContact CB-CB 3.62Å; A638-I703 HydrophobicContact CB-CB 4.46Å; A638-I703 HydrophobicContact CB-CG2 4.34Å; A638-V704 HydrophobicContact CB-CG2 3.97Å |
| 639 | V | 96 | Very high | 91.2 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 176.8 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | L635 Q636 K641 L642 I703 | L635-V639 WeakPolarHBondContact O-CG2 3.46Å; L635-V639 PolarHBondContact O-N 3.4Å; Q636-V639 PolarHBondContact O-N 3.26Å; V639-K641 PolarHBondContact O-N 3.02Å; V639-L642 VanDerWaalsContact O-CB 3.31Å; V639-L642 WeakPolarHBondContact O-CB 3.29Å; V639-L642 PolarHBondContact O-N 3.21Å; V639-I703 HydrophobicContact CG2-CD1 4.34Å; V639-I703 HydrophobicContact CG2-CG2 4.48Å |
| 640 | S | 93.8 | Very high | 90.6 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -29 | 179.4 | 74.7 | 0 | 0 | 0 | 0 | 113.4 | Q636 D637 L642 D643 D644 | Q636-S640 WeakPolarHBondContact O-CB 3.16Å; Q636-S640 PolarHBondContact O-N 2.89Å; Q636-S640 PolarHBondContact O-OG 3.28Å; D637-S640 PolarHBondContact O-N 3.25Å; D637-S640 PolarHBondContact O-OG 3.37Å; S640-L642 VanDerWaalsContact C-N 3.25Å; S640-L642 PolarHBondContact O-N 2.98Å; S640-D643 PolarHBondContact O-N 3.37Å; S640-D644 PolarHBondContact O-N 3.41Å |
| 641 | K | 92.1 | Very high | 90.1 | Very high | 91 Ų | 91 | 62.6 Ų | 62.6 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -25.4 | 175.7 | -74.3 | 170.1 | -176.3 | 169 | 0 | 113.1 | D637 A638 V639 D643 D644 H647 V704 | D637-K641 WeakPolarHBondContact O-CG 3.35Å; D637-K641 PolarHBondContact O-N 3.43Å; A638-K641 WeakPolarHBondContact O-CB 3.49Å; A638-K641 PolarHBondContact O-N 3.02Å; V639-K641 PolarHBondContact O-N 3.02Å; K641-D643 PolarHBondContact O-N 3.04Å; K641-D644 PolarHBondContact O-N 3.24Å; K641-H647 WeakPolarHBondContact O-CB 3.3Å; K641-H647 VanDerWaalsContact O-CG 3.27Å; K641-V704 HydrophobicContact CD-CG2 3.79Å |
| 642 | L | 90.7 | Very high | 89.7 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.3 | 175.7 | -60.7 | -179.7 | 0 | 0 | 0 | 111.8 | V639 S640 I703 I722 C725 R726 | V639-L642 VanDerWaalsContact O-CB 3.31Å; V639-L642 WeakPolarHBondContact O-CB 3.29Å; V639-L642 PolarHBondContact O-N 3.21Å; S640-L642 VanDerWaalsContact C-N 3.25Å; S640-L642 PolarHBondContact O-N 2.98Å; L642-I703 HydrophobicContact CD1-CG2 3.91Å; L642-I703 HydrophobicContact CD2-CG2 4.25Å; L642-I703 HydrophobicContact CG-CG2 4.13Å; L642-I722 HydrophobicContact CD2-CD1 4.14Å; L642-C725 HydrophobicContact CD1-CB 3.92Å; L642-R726 HydrophobicContact CD1-CG 3.82Å |
| 643 | D | 87.2 | Confident | 89.3 | Confident | 100 Ų | 100 | 64.7 Ų | 64.7 | 54% | 0.535 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -3.3 | 179.6 | -58.1 | -42.9 | 0 | 0 | 0 | 113 | S640 K641 P645 R726 | S640-D643 PolarHBondContact O-N 3.37Å; K641-D643 PolarHBondContact O-N 3.04Å; D643-P645 WeakPolarHBondContact O-CD 3.38Å; D643-R726 IonicContact OD1-CZ 3.75Å; D643-R726 IonicContact OD1-NE 2.76Å; D643-R726 IonicContact OD1-NH2 2.77Å; D643-R726 PolarHBondContact OD1-NH2 3.32Å |
| 644 | D | 88.2 | Confident | 88.9 | Confident | 66 Ų | 66 | 64.3 Ų | 64.3 | 35% | 0.353 | 35% | 0.345 | S | S | . | . | trans | -75.8 | 120.4 | 179.5 | -177.2 | -5.7 | 0 | 0 | 0 | 110.7 | S640 K641 L646 H647 | S640-D644 PolarHBondContact O-N 3.41Å; K641-D644 PolarHBondContact O-N 3.24Å; D644-L646 PolarHBondContact O-N 3.24Å; D644-L646 VanDerWaalsContact O-N 3.07Å; D644-L646 WeakPolarHBondContact OD1-CB 3.42Å; D644-L646 PolarHBondContact OD1-N 2.9Å; D644-H647 HydrophobicContact CB-CB 4.18Å; D644-H647 VanDerWaalsContact O-CB 3.27Å; D644-H647 WeakPolarHBondContact O-CB 3.42Å; D644-H647 PolarHBondContact O-N 2.85Å | ||
| 645 | P | 78.5 | Confident | 88.2 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.1 | 176.1 | -24.1 | 34.3 | 0 | 0 | 0 | 114.3 | D643 H647 | D643-P645 WeakPolarHBondContact O-CD 3.38Å; P645-H647 VanDerWaalsContact C-N 3.35Å |
| 646 | L | 81.6 | Confident | 87.8 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 61% | 0.613 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -26.1 | 175.1 | -61.7 | 178.5 | 0 | 0 | 0 | 112.3 | D644 L648 R649 | D644-L646 PolarHBondContact O-N 3.24Å; D644-L646 VanDerWaalsContact O-N 3.07Å; D644-L646 WeakPolarHBondContact OD1-CB 3.42Å; D644-L646 PolarHBondContact OD1-N 2.9Å; L646-L648 VanDerWaalsContact C-N 3.28Å; L646-L648 PolarHBondContact O-N 3.29Å; L646-R649 PolarHBondContact O-N 2.7Å |
| 647 | H | 86.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -69 | -25.4 | 179 | -168.5 | -92.5 | 0 | 0 | 0 | 112.9 | K641 D644 P645 R649 C650 V704 A708 H711 | K641-H647 WeakPolarHBondContact O-CB 3.3Å; K641-H647 VanDerWaalsContact O-CG 3.27Å; D644-H647 HydrophobicContact CB-CB 4.18Å; D644-H647 VanDerWaalsContact O-CB 3.27Å; D644-H647 WeakPolarHBondContact O-CB 3.42Å; D644-H647 PolarHBondContact O-N 2.85Å; P645-H647 VanDerWaalsContact C-N 3.35Å; H647-R649 PolarHBondContact O-N 2.91Å; H647-C650 WeakPolarHBondContact O-CB 3.37Å; H647-C650 PolarHBondContact O-N 3.07Å; H647-V704 PolarHBondContact CE1-O 3.4Å; H647-V704 VanDerWaalsContact CE1-O 3.29Å; H647-V704 WeakPolarHBondContact NE2-CG1 3.43Å; H647-V704 PolarHBondContact NE2-O 3.17Å; H647-A708 PolarHBondContact CE1-N 3.24Å; H647-H711 AromaticContact ND1-NE2 3.29Å; H647-H711 PolarHBondContact ND1-NE2 2.95Å; H647-H711 PolarHBondContact O-CD2 3.37Å; H647-H711 VanDerWaalsContact O-CD2 3.32Å; H647-H711 PolarHBondContact O-NE2 3.46Å |
| 648 | L | 79.5 | Confident | 87.5 | Confident | 113 Ų | 113 | 62.9 Ų | 62.9 | 59% | 0.592 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -52.9 | -22.9 | 172.1 | -78.8 | 156.6 | 0 | 0 | 0 | 113.8 | L646 H711 | L646-L648 VanDerWaalsContact C-N 3.28Å; L646-L648 PolarHBondContact O-N 3.29Å; L648-H711 WeakPolarHBondContact CA-NE2 3.27Å |
| 649 | R | 75.6 | Confident | 87.3 | Confident | 183 Ų | 183 | 65 Ų | 65 | 69% | 0.691 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -86.6 | -10.6 | 178.2 | -59.8 | -177.6 | 176.9 | -173.6 | -1.4 | 113.3 | L646 H647 | L646-R649 PolarHBondContact O-N 2.7Å; H647-R649 PolarHBondContact O-N 2.91Å |
| 650 | C | 84.5 | Confident | 87.2 | Confident | 57 Ų | 57 | 66 Ų | 66 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | trans | -79.7 | 137.2 | 176.9 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | H647 A708 H711 | H647-C650 WeakPolarHBondContact O-CB 3.37Å; H647-C650 PolarHBondContact O-N 3.07Å; C650-A708 HydrophobicContact CB-CB 3.89Å; C650-H711 PolarHBondContact O-CD2 3.01Å; C650-H711 VanDerWaalsContact O-CD2 3.31Å | ||
| 651 | T | 85.2 | Confident | 87.3 | Confident | 95 Ų | 95 | 63.3 Ų | 63.3 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | trans | -129 | 135 | 176.7 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | A708 L712 | T651-A708 WeakPolarHBondContact CA-O 3.46Å; T651-L712 HydrophobicContact CG2-CD1 3.96Å; T651-L712 HydrophobicContact CG2-CD2 3.84Å; T651-L712 HydrophobicContact CG2-CG 3.86Å | ||
| 652 | S | 89 | Confident | 87.4 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | trans | -129.3 | 140.3 | 176.1 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | A708 T709 | S652-A708 PolarHBondContact N-O 3.43Å; S652-T709 VanDerWaalsContact CB-OG1 3.24Å; S652-T709 WeakPolarHBondContact CB-OG1 3.23Å; S652-T709 WeakPolarHBondContact O-CA 3.1Å; S652-T709 PolarHBondContact O-OG1 2.71Å; S652-T709 PolarHBondContact OG-OG1 3.33Å | ||
| 653 | S | 87.1 | Confident | 87.5 | Confident | 58 Ų | 58 | 65 Ų | 65 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | trans | -74.4 | 144.6 | 176.6 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | D655 Y656 L657 | S653-D655 PolarHBondContact O-N 3.48Å; S653-Y656 PolarHBondContact O-N 3Å; S653-Y656 WeakPolarHBondContact OG-CB 3.23Å; S653-Y656 PolarHBondContact OG-N 3.43Å; S653-L657 PolarHBondContact O-N 3.32Å; S653-L657 VanDerWaalsContact O-N 3.09Å | ||
| 654 | P | 88.1 | Confident | 87.9 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.2 | -36.4 | 174.8 | -27.6 | 35.1 | 0 | 0 | 0 | 113.3 | Y656 L657 V658 T709 G764 L767 K768 | P654-Y656 PolarHBondContact O-N 2.97Å; P654-L657 PolarHBondContact O-N 3.43Å; P654-V658 WeakPolarHBondContact O-CB 3.48Å; P654-V658 VanDerWaalsContact O-CG2 3.25Å; P654-V658 WeakPolarHBondContact O-CG2 3.45Å; P654-V658 PolarHBondContact O-N 3.15Å; P654-T709 HydrophobicContact CG-CG2 4.18Å; P654-G764 WeakPolarHBondContact CB-O 3.39Å; P654-L767 HydrophobicContact CB-CB 3.9Å; P654-L767 HydrophobicContact CG-CB 3.82Å; P654-L767 WeakPolarHBondContact CG-O 3.46Å; P654-K768 HydrophobicContact CB-CG 4.24Å |
| 655 | D | 84.1 | Confident | 88.2 | Confident | 78 Ų | 78 | 58 Ų | 58 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 175.7 | -70.6 | -62.6 | 0 | 0 | 0 | 113.6 | S653 S659 K768 | S653-D655 PolarHBondContact O-N 3.48Å; D655-S659 PolarHBondContact O-N 3.39Å; D655-K768 WeakPolarHBondContact OD1-CD 3.41Å; D655-K768 WeakPolarHBondContact OD1-CE 3.46Å; D655-K768 IonicContact OD1-NZ 3.28Å; D655-K768 PolarHBondContact OD1-NZ 2.91Å |
| 656 | Y | 87.1 | Confident | 88.9 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.1 | -41.9 | 179 | -174 | -115.5 | 0 | 0 | 0 | 111 | S653 P654 V658 S659 R660 | S653-Y656 PolarHBondContact O-N 3Å; S653-Y656 WeakPolarHBondContact OG-CB 3.23Å; S653-Y656 PolarHBondContact OG-N 3.43Å; P654-Y656 PolarHBondContact O-N 2.97Å; Y656-V658 VanDerWaalsContact C-N 3.34Å; Y656-V658 PolarHBondContact O-N 3.16Å; Y656-S659 PolarHBondContact O-N 3.18Å; Y656-R660 HydrophobicContact CD1-CG 4.42Å; Y656-R660 HydrophobicContact CE1-CG 4.07Å; Y656-R660 HydrophobicContact CE2-CG 4.42Å; Y656-R660 WeakPolarHBondContact O-CG 3.48Å; Y656-R660 PolarHBondContact O-N 2.83Å |
| 657 | L | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 172.8 | 175.9 | 60.8 | 0 | 0 | 0 | 111.6 | S653 P654 S659 R660 A661 T702 N705 T709 L721 I760 | S653-L657 PolarHBondContact O-N 3.32Å; S653-L657 VanDerWaalsContact O-N 3.09Å; P654-L657 PolarHBondContact O-N 3.43Å; L657-S659 VanDerWaalsContact C-N 3.3Å; L657-S659 PolarHBondContact O-N 3.14Å; L657-R660 PolarHBondContact O-N 3.3Å; L657-R660 VanDerWaalsContact O-N 3.16Å; L657-A661 WeakPolarHBondContact O-CB 3.47Å; L657-A661 PolarHBondContact O-N 3.03Å; L657-T702 HydrophobicContact CD1-CG2 4.4Å; L657-N705 HydrophobicContact CD1-CB 4.28Å; L657-T709 HydrophobicContact CD2-CG2 3.87Å; L657-L721 HydrophobicContact CD2-CD1 4.1Å; L657-L721 HydrophobicContact CD2-CD2 3.92Å; L657-I760 HydrophobicContact CD1-CG2 3.8Å; L657-I760 HydrophobicContact CD2-CG2 4.32Å; L657-I760 HydrophobicContact CG-CG2 4.23Å |
| 658 | V | 92.7 | Very high | 90 | Very high | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 178.3 | 165.4 | 0 | 0 | 0 | 0 | 111.7 | P654 Y656 Q662 L761 Q765 | P654-V658 WeakPolarHBondContact O-CB 3.48Å; P654-V658 VanDerWaalsContact O-CG2 3.25Å; P654-V658 WeakPolarHBondContact O-CG2 3.45Å; P654-V658 PolarHBondContact O-N 3.15Å; Y656-V658 VanDerWaalsContact C-N 3.34Å; Y656-V658 PolarHBondContact O-N 3.16Å; V658-Q662 WeakPolarHBondContact O-CB 3.34Å; V658-Q662 PolarHBondContact O-N 3.37Å; V658-L761 HydrophobicContact CB-CD1 4.26Å; V658-L761 HydrophobicContact CG1-CD1 3.77Å; V658-L761 HydrophobicContact CG2-CD1 4.44Å; V658-L761 WeakPolarHBondContact O-CD1 3.43Å; V658-Q765 HydrophobicContact CG1-CG 4.28Å; V658-Q765 HydrophobicContact CG2-CG 3.89Å |
| 659 | S | 91.8 | Very high | 90.6 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 174.8 | 165.9 | 0 | 0 | 0 | 0 | 112.3 | D655 Y656 L657 E663 | D655-S659 PolarHBondContact O-N 3.39Å; Y656-S659 PolarHBondContact O-N 3.18Å; L657-S659 VanDerWaalsContact C-N 3.3Å; L657-S659 PolarHBondContact O-N 3.14Å; S659-E663 WeakPolarHBondContact O-CG 3.25Å; S659-E663 PolarHBondContact O-N 3.3Å; S659-E663 VanDerWaalsContact O-N 3.16Å |
| 660 | R | 93.8 | Very high | 91.4 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 180 | -65.1 | -61.4 | 107.7 | -153.9 | -11 | 111.6 | Y656 L657 Q662 E663 A664 T702 | Y656-R660 HydrophobicContact CD1-CG 4.42Å; Y656-R660 HydrophobicContact CE1-CG 4.07Å; Y656-R660 HydrophobicContact CE2-CG 4.42Å; Y656-R660 WeakPolarHBondContact O-CG 3.48Å; Y656-R660 PolarHBondContact O-N 2.83Å; L657-R660 PolarHBondContact O-N 3.3Å; L657-R660 VanDerWaalsContact O-N 3.16Å; R660-Q662 VanDerWaalsContact C-N 3.32Å; R660-Q662 PolarHBondContact O-N 3.38Å; R660-E663 IonicContact CZ-OE1 2.63Å; R660-E663 IonicContact CZ-OE2 3.71Å; R660-E663 VanDerWaalsContact CZ-OE2 3.26Å; R660-E663 IonicContact NH1-OE1 3.71Å; R660-E663 IonicContact NH1-OE2 2.67Å; R660-E663 PolarHBondContact NH1-OE2 3.37Å; R660-E663 VanDerWaalsContact NH2-CD 3.34Å; R660-E663 IonicContact NH2-OE1 3.03Å; R660-E663 PolarHBondContact NH2-OE1 3.31Å; R660-E663 IonicContact NH2-OE2 3.45Å; R660-E663 PolarHBondContact NH2-OE2 2.98Å; R660-E663 PolarHBondContact O-N 3.39Å; R660-A664 WeakPolarHBondContact O-CB 3.27Å; R660-A664 PolarHBondContact O-N 3.46Å; R660-T702 PolarHBondContact O-OG1 3.42Å |
| 661 | A | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L657 A664 L665 T702 I760 L761 | L657-A661 WeakPolarHBondContact O-CB 3.47Å; L657-A661 PolarHBondContact O-N 3.03Å; A661-A664 PolarHBondContact O-N 3.25Å; A661-L665 WeakPolarHBondContact O-CB 3.18Å; A661-L665 PolarHBondContact O-N 2.92Å; A661-T702 HydrophobicContact CB-CG2 3.84Å; A661-I760 HydrophobicContact CB-CG2 4.17Å; A661-L761 HydrophobicContact CB-CB 4.03Å; A661-L761 HydrophobicContact CB-CD1 4.09Å |
| 662 | Q | 94.6 | Very high | 92.3 | Very high | 75 Ų | 75 | 37.6 Ų | 37.6 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65 | -47 | 174.5 | -173.1 | 63.5 | 58 | 0 | 0 | 111.8 | V658 R660 A664 L665 D666 L761 | V658-Q662 WeakPolarHBondContact O-CB 3.34Å; V658-Q662 PolarHBondContact O-N 3.37Å; R660-Q662 VanDerWaalsContact C-N 3.32Å; R660-Q662 PolarHBondContact O-N 3.38Å; Q662-A664 VanDerWaalsContact C-N 3.31Å; Q662-A664 PolarHBondContact O-N 3.2Å; Q662-L665 WeakPolarHBondContact O-CB 3.41Å; Q662-L665 PolarHBondContact O-N 3.39Å; Q662-D666 PolarHBondContact NE2-OD1 3.03Å; Q662-D666 PolarHBondContact O-N 3.24Å; Q662-L761 HydrophobicContact CB-CD1 4.34Å |
| 663 | E | 93.1 | Very high | 92.5 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 177.8 | -73.5 | 176.6 | -155 | 0 | 0 | 112.2 | S659 R660 A667 L698 | S659-E663 WeakPolarHBondContact O-CG 3.25Å; S659-E663 PolarHBondContact O-N 3.3Å; S659-E663 VanDerWaalsContact O-N 3.16Å; R660-E663 IonicContact CZ-OE1 2.63Å; R660-E663 IonicContact CZ-OE2 3.71Å; R660-E663 VanDerWaalsContact CZ-OE2 3.26Å; R660-E663 IonicContact NH1-OE1 3.71Å; R660-E663 IonicContact NH1-OE2 2.67Å; R660-E663 PolarHBondContact NH1-OE2 3.37Å; R660-E663 VanDerWaalsContact NH2-CD 3.34Å; R660-E663 IonicContact NH2-OE1 3.03Å; R660-E663 PolarHBondContact NH2-OE1 3.31Å; R660-E663 IonicContact NH2-OE2 3.45Å; R660-E663 PolarHBondContact NH2-OE2 2.98Å; R660-E663 PolarHBondContact O-N 3.39Å; E663-A667 PolarHBondContact O-N 2.67Å; E663-A667 VanDerWaalsContact O-N 3.12Å; E663-L698 HydrophobicContact CB-CD1 4.45Å; E663-L698 HydrophobicContact CB-CD2 4.13Å |
| 664 | A | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R660 A661 Q662 A667 V668 L698 T702 L757 | R660-A664 WeakPolarHBondContact O-CB 3.27Å; R660-A664 PolarHBondContact O-N 3.46Å; A661-A664 PolarHBondContact O-N 3.25Å; Q662-A664 VanDerWaalsContact C-N 3.31Å; Q662-A664 PolarHBondContact O-N 3.2Å; A664-A667 PolarHBondContact O-N 3.27Å; A664-V668 PolarHBondContact O-N 3.18Å; A664-L698 HydrophobicContact CB-CB 3.99Å; A664-T702 WeakPolarHBondContact CB-OG1 3.48Å; A664-L757 HydrophobicContact CB-CD1 4.33Å; A664-L757 HydrophobicContact CB-CD2 3.95Å |
| 665 | L | 94.7 | Very high | 93.1 | Very high | 18 Ų | 18 | 40.1 Ų | 40.1 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.4 | -173.9 | 66.1 | 0 | 0 | 0 | 111.8 | A661 Q662 A667 V668 R754 L757 Q758 L761 | A661-L665 WeakPolarHBondContact O-CB 3.18Å; A661-L665 PolarHBondContact O-N 2.92Å; Q662-L665 WeakPolarHBondContact O-CB 3.41Å; Q662-L665 PolarHBondContact O-N 3.39Å; L665-A667 VanDerWaalsContact C-N 3.28Å; L665-A667 PolarHBondContact O-N 2.97Å; L665-V668 WeakPolarHBondContact O-CB 3.29Å; L665-V668 PolarHBondContact O-N 3.36Å; L665-R754 HydrophobicContact CD1-CB 3.92Å; L665-R754 HydrophobicContact CD1-CG 3.91Å; L665-L757 HydrophobicContact CD1-CB 4.07Å; L665-Q758 HydrophobicContact CD1-CG 3.92Å; L665-Q758 HydrophobicContact CD2-CG 3.75Å; L665-L761 HydrophobicContact CD2-CD2 4.35Å |
| 666 | D | 92.6 | Very high | 93.5 | Very high | 94 Ų | 94 | 39 Ų | 39 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.6 | -34.8 | 177.3 | -64 | -16.2 | 0 | 0 | 0 | 111.5 | Q662 V668 S669 | Q662-D666 PolarHBondContact NE2-OD1 3.03Å; Q662-D666 PolarHBondContact O-N 3.24Å; D666-V668 VanDerWaalsContact C-N 3.28Å; D666-V668 PolarHBondContact O-N 3.39Å; D666-S669 PolarHBondContact O-N 3.49Å |
| 667 | A | 95.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 5% | 0.05 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.9 | -23.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E663 A664 L665 S669 A670 L671 F695 L698 | E663-A667 PolarHBondContact O-N 2.67Å; E663-A667 VanDerWaalsContact O-N 3.12Å; A664-A667 PolarHBondContact O-N 3.27Å; L665-A667 VanDerWaalsContact C-N 3.28Å; L665-A667 PolarHBondContact O-N 2.97Å; A667-S669 VanDerWaalsContact C-N 3.26Å; A667-S669 PolarHBondContact O-N 2.83Å; A667-A670 PolarHBondContact O-N 3.29Å; A667-L671 PolarHBondContact O-N 2.91Å; A667-L671 VanDerWaalsContact O-N 3.16Å; A667-F695 HydrophobicContact CB-CB 4.42Å; A667-F695 HydrophobicContact CB-CD2 4.39Å; A667-L698 HydrophobicContact CB-CD1 3.81Å |
| 668 | V | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -36.9 | 174.6 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | A664 L665 D666 A670 L671 E672 F695 A750 L753 R754 L757 | A664-V668 PolarHBondContact O-N 3.18Å; L665-V668 WeakPolarHBondContact O-CB 3.29Å; L665-V668 PolarHBondContact O-N 3.36Å; D666-V668 VanDerWaalsContact C-N 3.28Å; D666-V668 PolarHBondContact O-N 3.39Å; V668-A670 PolarHBondContact O-N 3.02Å; V668-L671 WeakPolarHBondContact O-CB 3.2Å; V668-L671 PolarHBondContact O-N 2.85Å; V668-L671 VanDerWaalsContact O-N 3.15Å; V668-E672 PolarHBondContact O-N 2.8Å; V668-F695 HydrophobicContact CG2-CD2 4.03Å; V668-F695 HydrophobicContact CG2-CE2 3.66Å; V668-A750 WeakPolarHBondContact CG1-O 3.38Å; V668-L753 HydrophobicContact CG2-CB 4.17Å; V668-R754 HydrophobicContact CB-CG 4.31Å; V668-R754 HydrophobicContact CG1-CG 3.85Å; V668-L757 HydrophobicContact CG2-CD1 3.77Å |
| 669 | S | 93.1 | Very high | 93.7 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 178.1 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | D666 A667 L671 E672 E673 R754 | D666-S669 PolarHBondContact O-N 3.49Å; A667-S669 VanDerWaalsContact C-N 3.26Å; A667-S669 PolarHBondContact O-N 2.83Å; S669-L671 VanDerWaalsContact C-N 3.27Å; S669-L671 PolarHBondContact O-N 2.88Å; S669-E672 PolarHBondContact O-N 3.48Å; S669-E673 WeakPolarHBondContact O-CG 3.41Å; S669-E673 PolarHBondContact O-N 3.35Å; S669-R754 PolarHBondContact OG-NH2 3.26Å |
| 670 | A | 93.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.2 | -32.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A667 V668 G674 A691 | A667-A670 PolarHBondContact O-N 3.29Å; V668-A670 PolarHBondContact O-N 3.02Å; A670-G674 PolarHBondContact O-N 2.8Å; A670-A691 HydrophobicContact CB-CB 4.25Å; A670-A691 WeakPolarHBondContact O-CB 3.49Å |
| 671 | L | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 176.1 | -173.4 | 63 | 0 | 0 | 0 | 111.8 | A667 V668 S669 H675 L688 A691 L692 F695 L735 A750 L753 | A667-L671 PolarHBondContact O-N 2.91Å; A667-L671 VanDerWaalsContact O-N 3.16Å; V668-L671 WeakPolarHBondContact O-CB 3.2Å; V668-L671 PolarHBondContact O-N 2.85Å; V668-L671 VanDerWaalsContact O-N 3.15Å; S669-L671 VanDerWaalsContact C-N 3.27Å; S669-L671 PolarHBondContact O-N 2.88Å; L671-H675 VanDerWaalsContact O-CB 3.28Å; L671-H675 WeakPolarHBondContact O-CB 3.46Å; L671-H675 PolarHBondContact O-N 2.9Å; L671-L688 HydrophobicContact CD1-CD1 3.83Å; L671-A691 HydrophobicContact CD1-CB 4.41Å; L671-L692 HydrophobicContact CD1-CB 4.22Å; L671-L692 HydrophobicContact CD1-CD1 3.75Å; L671-F695 HydrophobicContact CD2-CD1 4.04Å; L671-F695 HydrophobicContact CD2-CG 4.14Å; L671-L735 HydrophobicContact CD2-CD2 3.67Å; L671-A750 HydrophobicContact CD2-CB 3.96Å; L671-A750 HydrophobicContact CG-CB 4.09Å; L671-L753 HydrophobicContact CD2-CD1 4.43Å |
| 672 | E | 93.2 | Very high | 93.4 | Very high | 59 Ų | 59 | 49.5 Ų | 49.5 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 174.6 | -71.9 | 176.6 | 152.6 | 0 | 0 | 112.3 | V668 S669 H675 A676 A750 S751 R754 | V668-E672 PolarHBondContact O-N 2.8Å; S669-E672 PolarHBondContact O-N 3.48Å; E672-H675 PolarHBondContact O-N 3.19Å; E672-A676 WeakPolarHBondContact O-CB 3.46Å; E672-A676 PolarHBondContact O-N 3.44Å; E672-A750 HydrophobicContact CG-CB 3.8Å; E672-S751 WeakPolarHBondContact OE1-CA 3.27Å; E672-S751 WeakPolarHBondContact OE1-CB 3.47Å; E672-S751 PolarHBondContact OE1-N 3.33Å; E672-R754 IonicContact OE1-CZ 2.78Å; E672-R754 IonicContact OE1-NH1 2.74Å; E672-R754 PolarHBondContact OE1-NH1 2.8Å; E672-R754 IonicContact OE1-NH2 3.73Å; E672-R754 IonicContact OE2-CZ 2.73Å; E672-R754 IonicContact OE2-NH1 3.76Å; E672-R754 PolarHBondContact OE2-NH1 3.06Å; E672-R754 IonicContact OE2-NH2 3.04Å; E672-R754 PolarHBondContact OE2-NH2 3.05Å |
| 673 | E | 92.9 | Very high | 93.2 | Very high | 124 Ų | 124 | 47.7 Ų | 47.7 | 58% | 0.579 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.9 | -46.4 | 176.9 | -72.7 | 175.3 | -169.6 | 0 | 0 | 111.3 | S669 H675 A676 Q677 | S669-E673 WeakPolarHBondContact O-CG 3.41Å; S669-E673 PolarHBondContact O-N 3.35Å; E673-H675 VanDerWaalsContact C-N 3.3Å; E673-H675 PolarHBondContact O-N 2.87Å; E673-A676 PolarHBondContact O-N 2.66Å; E673-Q677 WeakPolarHBondContact O-CB 3.43Å; E673-Q677 VanDerWaalsContact O-CG 3.28Å; E673-Q677 WeakPolarHBondContact O-CG 3.37Å; E673-Q677 PolarHBondContact O-N 3.23Å |
| 674 | G | 93.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A670 Q677 Y678 | A670-G674 PolarHBondContact O-N 2.8Å; G674-Q677 PolarHBondContact O-N 2.89Å; G674-Y678 PolarHBondContact O-N 2.72Å |
| 675 | H | 94.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 178.1 | -177 | 60.7 | 0 | 0 | 0 | 112.1 | L671 E672 E673 Q677 Y678 L679 L688 L745 | L671-H675 VanDerWaalsContact O-CB 3.28Å; L671-H675 WeakPolarHBondContact O-CB 3.46Å; L671-H675 PolarHBondContact O-N 2.9Å; E672-H675 PolarHBondContact O-N 3.19Å; E673-H675 VanDerWaalsContact C-N 3.3Å; E673-H675 PolarHBondContact O-N 2.87Å; H675-Q677 VanDerWaalsContact C-N 3.33Å; H675-Q677 PolarHBondContact O-N 3.41Å; H675-Y678 PolarHBondContact O-N 3.2Å; H675-L679 WeakPolarHBondContact NE2-CD1 3.48Å; H675-L679 PolarHBondContact O-N 2.97Å; H675-L688 HydrophobicContact CB-CD1 4.13Å; H675-L745 PolarHBondContact CE1-O 3.35Å; H675-L745 PolarHBondContact NE2-O 2.96Å |
| 676 | A | 92.8 | Very high | 93 | Very high | 55 Ų | 55 | 50.5 Ų | 50.5 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E672 E673 L679 T680 | E672-A676 WeakPolarHBondContact O-CB 3.46Å; E672-A676 PolarHBondContact O-N 3.44Å; E673-A676 PolarHBondContact O-N 2.66Å; A676-L679 PolarHBondContact O-N 2.96Å; A676-T680 PolarHBondContact O-N 2.96Å; A676-T680 VanDerWaalsContact O-N 3.15Å; A676-T680 PolarHBondContact O-OG1 3.05Å |
| 677 | Q | 93.2 | Very high | 93.1 | Very high | 97 Ų | 97 | 48.9 Ų | 48.9 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 174.9 | -73.7 | 175 | 20.7 | 0 | 0 | 111.6 | E673 G674 H675 L679 T680 S681 T687 | E673-Q677 WeakPolarHBondContact O-CB 3.43Å; E673-Q677 VanDerWaalsContact O-CG 3.28Å; E673-Q677 WeakPolarHBondContact O-CG 3.37Å; E673-Q677 PolarHBondContact O-N 3.23Å; G674-Q677 PolarHBondContact O-N 2.89Å; H675-Q677 VanDerWaalsContact C-N 3.33Å; H675-Q677 PolarHBondContact O-N 3.41Å; Q677-L679 PolarHBondContact O-N 3.4Å; Q677-T680 WeakPolarHBondContact O-CB 3.47Å; Q677-T680 PolarHBondContact O-N 2.97Å; Q677-T680 VanDerWaalsContact O-N 3.11Å; Q677-S681 PolarHBondContact O-N 2.93Å; Q677-T687 PolarHBondContact OE1-OG1 3.49Å |
| 678 | Y | 93.7 | Very high | 93.1 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 177.6 | -178 | -113.9 | 0 | 0 | 0 | 112.5 | L624 G674 H675 T680 S681 L682 D684 A685 L688 L745 | L624-Y678 HydrophobicContact CD2-CD1 3.88Å; L624-Y678 HydrophobicContact CD2-CE1 3.38Å; G674-Y678 PolarHBondContact O-N 2.72Å; H675-Y678 PolarHBondContact O-N 3.2Å; Y678-T680 PolarHBondContact O-N 3.03Å; Y678-S681 CarbonylContact O-C 3.57Å; Y678-S681 PolarHBondContact O-N 3.38Å; Y678-L682 HydrophobicContact CD1-CD2 4.26Å; Y678-L682 HydrophobicContact CE1-CD2 3.88Å; Y678-L682 PolarHBondContact O-N 3.46Å; Y678-D684 WeakPolarHBondContact CD2-O 3.45Å; Y678-A685 HydrophobicContact CD2-CB 4.04Å; Y678-A685 HydrophobicContact CE2-CB 3.82Å; Y678-L688 HydrophobicContact CD1-CD2 3.94Å; Y678-L688 HydrophobicContact CG-CD2 3.97Å; Y678-L745 HydrophobicContact CE1-CD1 3.97Å; Y678-L745 HydrophobicContact CE1-CD2 4.38Å |
| 679 | L | 91.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.1 | -27.4 | 175.3 | -70.9 | -178.4 | 0 | 0 | 0 | 113 | H675 A676 Q677 | H675-L679 WeakPolarHBondContact NE2-CD1 3.48Å; H675-L679 PolarHBondContact O-N 2.97Å; A676-L679 PolarHBondContact O-N 2.96Å; Q677-L679 PolarHBondContact O-N 3.4Å |
| 680 | T | 92.1 | Very high | 93.2 | Very high | 127 Ų | 127 | 51 Ų | 51 | 78% | 0.779 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -76.9 | -35.2 | 175.4 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | A676 Q677 Y678 | A676-T680 PolarHBondContact O-N 2.96Å; A676-T680 VanDerWaalsContact O-N 3.15Å; A676-T680 PolarHBondContact O-OG1 3.05Å; Q677-T680 WeakPolarHBondContact O-CB 3.47Å; Q677-T680 PolarHBondContact O-N 2.97Å; Q677-T680 VanDerWaalsContact O-N 3.11Å; Y678-T680 PolarHBondContact O-N 3.03Å |
| 681 | S | 91.6 | Very high | 93.3 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 40% | 0.399 | 30% | 0.295 | S | S | . | . | trans | -139 | 94.5 | 177.9 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | Q677 Y678 A683 D684 | Q677-S681 PolarHBondContact O-N 2.93Å; Y678-S681 CarbonylContact O-C 3.57Å; Y678-S681 PolarHBondContact O-N 3.38Å; S681-A683 PolarHBondContact O-N 2.78Å; S681-D684 PolarHBondContact O-N 2.71Å; S681-D684 VanDerWaalsContact O-N 3.14Å | ||
| 682 | L | 91.4 | Very high | 93.3 | Very high | 76 Ų | 76 | 49.5 Ų | 49.5 | 40% | 0.398 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -8.7 | 178.7 | -63.2 | 175.5 | 0 | 0 | 0 | 113.8 | L617 Y678 D684 | L617-L682 HydrophobicContact CD2-CB 3.8Å; Y678-L682 HydrophobicContact CD1-CD2 4.26Å; Y678-L682 HydrophobicContact CE1-CD2 3.88Å; Y678-L682 PolarHBondContact O-N 3.46Å; L682-D684 VanDerWaalsContact C-N 3.34Å |
| 683 | A | 90.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 31% | 0.306 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L616 L617 Q620 S681 | L616-A683 HydrophobicContact CD2-CB 4.14Å; L617-A683 HydrophobicContact CD2-CB 4.18Å; Q620-A683 VanDerWaalsContact CD-O 3.29Å; Q620-A683 WeakPolarHBondContact CG-O 3.36Å; S681-A683 PolarHBondContact O-N 2.78Å |
| 684 | D | 91.9 | Very high | 93.5 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 42% | 0.422 | 30% | 0.303 | S | S | . | . | trans | -138.4 | 99.3 | -179.6 | -175.7 | 5.7 | 0 | 0 | 0 | 111.9 | Y678 S681 L682 S686 | Y678-D684 WeakPolarHBondContact CD2-O 3.45Å; S681-D684 PolarHBondContact O-N 2.71Å; S681-D684 VanDerWaalsContact O-N 3.14Å; L682-D684 VanDerWaalsContact C-N 3.34Å; D684-S686 WeakPolarHBondContact OD1-CB 3.35Å; D684-S686 PolarHBondContact OD1-N 3.48Å; D684-S686 PolarHBondContact OD1-OG 3.22Å | ||
| 685 | A | 93.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | trans | -88.5 | -0.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L624 Y678 T687 L688 V689 | L624-A685 HydrophobicContact CB-CB 4.34Å; Y678-A685 HydrophobicContact CD2-CB 4.04Å; Y678-A685 HydrophobicContact CE2-CB 3.82Å; A685-T687 PolarHBondContact O-N 2.93Å; A685-L688 PolarHBondContact O-N 3.43Å; A685-V689 HydrophobicContact CB-CG2 4.18Å; A685-V689 WeakPolarHBondContact O-CB 3.37Å; A685-V689 VanDerWaalsContact O-CG2 3.26Å; A685-V689 WeakPolarHBondContact O-CG2 3.4Å; A685-V689 PolarHBondContact O-N 3.47Å | ||
| 686 | S | 92.8 | Very high | 93.8 | Very high | 67 Ų | 67 | 50.9 Ų | 50.9 | 47% | 0.469 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | -164.2 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | D684 L688 V689 A690 | D684-S686 WeakPolarHBondContact OD1-CB 3.35Å; D684-S686 PolarHBondContact OD1-N 3.48Å; D684-S686 PolarHBondContact OD1-OG 3.22Å; S686-L688 PolarHBondContact O-N 3.18Å; S686-V689 PolarHBondContact O-N 3.01Å; S686-A690 WeakPolarHBondContact O-CB 3.45Å; S686-A690 PolarHBondContact O-N 3.46Å |
| 687 | T | 93.9 | Very high | 94 | Very high | 59 Ų | 59 | 52.8 Ų | 52.8 | 36% | 0.362 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 179.2 | -50.4 | 0 | 0 | 0 | 0 | 111.7 | Q677 A685 A690 A691 | Q677-T687 PolarHBondContact OE1-OG1 3.49Å; A685-T687 PolarHBondContact O-N 2.93Å; T687-A690 PolarHBondContact O-N 3.46Å; T687-A691 WeakPolarHBondContact O-CB 3.47Å; T687-A691 PolarHBondContact O-N 3.29Å |
| 688 | L | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 179 | 178.9 | 53.3 | 0 | 0 | 0 | 111.1 | L624 L671 H675 Y678 A685 S686 A690 A691 L692 L739 | L624-L688 HydrophobicContact CD1-CD2 3.53Å; L624-L688 HydrophobicContact CD1-CG 3.76Å; L624-L688 HydrophobicContact CD2-CD2 3.89Å; L624-L688 HydrophobicContact CG-CD2 4.38Å; L671-L688 HydrophobicContact CD1-CD1 3.83Å; H675-L688 HydrophobicContact CB-CD1 4.13Å; Y678-L688 HydrophobicContact CD1-CD2 3.94Å; Y678-L688 HydrophobicContact CG-CD2 3.97Å; A685-L688 PolarHBondContact O-N 3.43Å; S686-L688 PolarHBondContact O-N 3.18Å; L688-A690 VanDerWaalsContact C-N 3.33Å; L688-A690 PolarHBondContact O-N 3.35Å; L688-A691 PolarHBondContact O-N 2.97Å; L688-L692 WeakPolarHBondContact O-CB 3.22Å; L688-L692 PolarHBondContact O-N 3.46Å; L688-L739 HydrophobicContact CD2-CD2 4.36Å |
| 689 | V | 96.1 | Very high | 94.4 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 178 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | V623 L624 A627 A685 S686 L692 T693 | V623-V689 HydrophobicContact CG1-CG2 4.16Å; L624-V689 HydrophobicContact CD1-CG2 4.4Å; A627-V689 HydrophobicContact CB-CB 4.39Å; A627-V689 HydrophobicContact CB-CG1 3.84Å; A627-V689 HydrophobicContact CB-CG2 3.99Å; A685-V689 HydrophobicContact CB-CG2 4.18Å; A685-V689 WeakPolarHBondContact O-CB 3.37Å; A685-V689 VanDerWaalsContact O-CG2 3.26Å; A685-V689 WeakPolarHBondContact O-CG2 3.4Å; A685-V689 PolarHBondContact O-N 3.47Å; S686-V689 PolarHBondContact O-N 3.01Å; V689-L692 PolarHBondContact O-N 2.89Å; V689-T693 WeakPolarHBondContact O-CB 3.24Å; V689-T693 PolarHBondContact O-N 2.92Å; V689-T693 PolarHBondContact O-OG1 3.24Å |
| 690 | A | 94.6 | Very high | 94.7 | Very high | 63 Ų | 63 | 45.8 Ų | 45.8 | 52% | 0.521 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | S686 T687 L688 R694 | S686-A690 WeakPolarHBondContact O-CB 3.45Å; S686-A690 PolarHBondContact O-N 3.46Å; T687-A690 PolarHBondContact O-N 3.46Å; L688-A690 VanDerWaalsContact C-N 3.33Å; L688-A690 PolarHBondContact O-N 3.35Å; A690-R694 PolarHBondContact O-N 3.38Å; A690-R694 VanDerWaalsContact O-N 3.1Å |
| 691 | A | 95.5 | Very high | 94.8 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A670 L671 T687 L688 R694 F695 | A670-A691 HydrophobicContact CB-CB 4.25Å; A670-A691 WeakPolarHBondContact O-CB 3.49Å; L671-A691 HydrophobicContact CD1-CB 4.41Å; T687-A691 WeakPolarHBondContact O-CB 3.47Å; T687-A691 PolarHBondContact O-N 3.29Å; L688-A691 PolarHBondContact O-N 2.97Å; A691-R694 PolarHBondContact O-N 3.43Å; A691-F695 VanDerWaalsContact O-CB 3.29Å; A691-F695 WeakPolarHBondContact O-CB 3.48Å; A691-F695 PolarHBondContact O-N 2.98Å |
| 692 | L | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 177.7 | -166.2 | 71.3 | 0 | 0 | 0 | 112.1 | A627 A628 A631 L671 L688 V689 F695 S696 M736 L739 | A627-L692 HydrophobicContact CB-CD2 4.01Å; A628-L692 HydrophobicContact CB-CD2 4.01Å; A631-L692 HydrophobicContact CB-CD2 4.44Å; A631-L692 HydrophobicContact CB-CG 4.12Å; L671-L692 HydrophobicContact CD1-CB 4.22Å; L671-L692 HydrophobicContact CD1-CD1 3.75Å; L688-L692 WeakPolarHBondContact O-CB 3.22Å; L688-L692 PolarHBondContact O-N 3.46Å; V689-L692 PolarHBondContact O-N 2.89Å; L692-F695 PolarHBondContact O-N 3.41Å; L692-S696 WeakPolarHBondContact O-CB 3.38Å; L692-S696 PolarHBondContact O-N 2.84Å; L692-S696 PolarHBondContact O-OG 2.99Å; L692-M736 HydrophobicContact CD1-CE 3.49Å; L692-M736 VanDerWaalsContact CD1-CE 3.49Å; L692-M736 HydrophobicContact CD1-SD 3.46Å; L692-M736 WeakPolarHBondContact CD1-SD 3.42Å; L692-M736 HydrophobicContact CG-SD 4.1Å; L692-L739 HydrophobicContact CD1-CD1 3.56Å |
| 693 | T | 94.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 39% | 0.387 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 178.3 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | V689 F695 S696 H697 | V689-T693 WeakPolarHBondContact O-CB 3.24Å; V689-T693 PolarHBondContact O-N 2.92Å; V689-T693 PolarHBondContact O-OG1 3.24Å; T693-F695 PolarHBondContact O-N 3.29Å; T693-S696 PolarHBondContact O-N 3.3Å; T693-S696 PolarHBondContact O-OG 3.26Å; T693-H697 PolarHBondContact O-CD2 3.06Å; T693-H697 VanDerWaalsContact O-CD2 3.26Å; T693-H697 PolarHBondContact O-N 3.33Å |
| 694 | R | 95.4 | Very high | 95.7 | Very high | 167 Ų | 167 | 36.5 Ų | 36.5 | 63% | 0.63 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -62.4 | -45.5 | 178.9 | -178.1 | 174.8 | 178.2 | 174.2 | -1.4 | 112.2 | A690 A691 L698 | A690-R694 PolarHBondContact O-N 3.38Å; A690-R694 VanDerWaalsContact O-N 3.1Å; A691-R694 PolarHBondContact O-N 3.43Å; R694-L698 HydrophobicContact CG-CD1 3.85Å; R694-L698 WeakPolarHBondContact O-CG 3.41Å; R694-L698 PolarHBondContact O-N 2.87Å |
| 695 | F | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -49.1 | 179.1 | 170.7 | -98.7 | 0 | 0 | 0 | 111.5 | A667 V668 L671 A691 L692 T693 H697 L698 A699 A732 L753 L757 | A667-F695 HydrophobicContact CB-CB 4.42Å; A667-F695 HydrophobicContact CB-CD2 4.39Å; V668-F695 HydrophobicContact CG2-CD2 4.03Å; V668-F695 HydrophobicContact CG2-CE2 3.66Å; L671-F695 HydrophobicContact CD2-CD1 4.04Å; L671-F695 HydrophobicContact CD2-CG 4.14Å; A691-F695 VanDerWaalsContact O-CB 3.29Å; A691-F695 WeakPolarHBondContact O-CB 3.48Å; A691-F695 PolarHBondContact O-N 2.98Å; L692-F695 PolarHBondContact O-N 3.41Å; T693-F695 PolarHBondContact O-N 3.29Å; F695-H697 VanDerWaalsContact C-N 3.31Å; F695-H697 PolarHBondContact O-N 3.29Å; F695-L698 PolarHBondContact O-N 3.32Å; F695-L698 VanDerWaalsContact O-N 3.14Å; F695-A699 HydrophobicContact CE1-CB 4.09Å; F695-A699 HydrophobicContact CE2-CB 4.02Å; F695-A699 HydrophobicContact CZ-CB 3.72Å; F695-A699 VanDerWaalsContact O-CB 3.3Å; F695-A699 WeakPolarHBondContact O-CB 3.46Å; F695-A699 PolarHBondContact O-N 3.25Å; F695-A732 HydrophobicContact CE1-CB 4.3Å; F695-L753 HydrophobicContact CE1-CD1 3.74Å; F695-L753 HydrophobicContact CE2-CD1 4.1Å; F695-L753 HydrophobicContact CZ-CB 4.43Å; F695-L753 HydrophobicContact CZ-CD1 3.42Å; F695-L753 VanDerWaalsContact CZ-CD1 3.42Å; F695-L753 HydrophobicContact CZ-CD2 4.19Å; F695-L753 HydrophobicContact CZ-CG 4.23Å; F695-L757 HydrophobicContact CE2-CD1 4.05Å |
| 696 | S | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -41.6 | -176.7 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | L692 T693 A700 | L692-S696 WeakPolarHBondContact O-CB 3.38Å; L692-S696 PolarHBondContact O-N 2.84Å; L692-S696 PolarHBondContact O-OG 2.99Å; T693-S696 PolarHBondContact O-N 3.3Å; T693-S696 PolarHBondContact O-OG 3.26Å; S696-A700 WeakPolarHBondContact O-CB 3.48Å; S696-A700 PolarHBondContact O-N 3.48Å |
| 697 | H | 96.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 30.8 Ų | 30.8 | 44% | 0.444 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.8 | -45.8 | 174.8 | -76.8 | -64 | 0 | 0 | 0 | 113 | T693 F695 A700 D701 | T693-H697 PolarHBondContact O-CD2 3.06Å; T693-H697 VanDerWaalsContact O-CD2 3.26Å; T693-H697 PolarHBondContact O-N 3.33Å; F695-H697 VanDerWaalsContact C-N 3.31Å; F695-H697 PolarHBondContact O-N 3.29Å; H697-A700 PolarHBondContact O-N 2.8Å; H697-D701 WeakPolarHBondContact O-CB 3.43Å; H697-D701 PolarHBondContact O-N 3.25Å |
| 698 | L | 97 | Very high | 95.9 | Very high | 19 Ų | 19 | 28.2 Ų | 28.2 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68 | -38.4 | -178.8 | -70 | 170.8 | 0 | 0 | 0 | 112.3 | E663 A664 A667 R694 F695 T702 | E663-L698 HydrophobicContact CB-CD1 4.45Å; E663-L698 HydrophobicContact CB-CD2 4.13Å; A664-L698 HydrophobicContact CB-CB 3.99Å; A667-L698 HydrophobicContact CB-CD1 3.81Å; R694-L698 HydrophobicContact CG-CD1 3.85Å; R694-L698 WeakPolarHBondContact O-CG 3.41Å; R694-L698 PolarHBondContact O-N 2.87Å; F695-L698 PolarHBondContact O-N 3.32Å; F695-L698 VanDerWaalsContact O-N 3.14Å; L698-T702 WeakPolarHBondContact O-CB 3.38Å; L698-T702 PolarHBondContact O-N 3.21Å; L698-T702 PolarHBondContact O-OG1 2.9Å |
| 699 | A | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L635 F695 D701 T702 I703 | L635-A699 HydrophobicContact CD2-CB 3.81Å; F695-A699 HydrophobicContact CE1-CB 4.09Å; F695-A699 HydrophobicContact CE2-CB 4.02Å; F695-A699 HydrophobicContact CZ-CB 3.72Å; F695-A699 VanDerWaalsContact O-CB 3.3Å; F695-A699 WeakPolarHBondContact O-CB 3.46Å; F695-A699 PolarHBondContact O-N 3.25Å; A699-D701 PolarHBondContact O-N 2.94Å; A699-T702 WeakPolarHBondContact O-CB 3.31Å; A699-T702 PolarHBondContact O-N 3.35Å; A699-I703 VanDerWaalsContact O-CG1 3.29Å; A699-I703 WeakPolarHBondContact O-CG1 3.48Å; A699-I703 PolarHBondContact O-N 2.96Å |
| 700 | A | 97.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 7% | 0.066 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59 | -46 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I634 A638 S696 H697 T702 I703 V704 | I634-A700 HydrophobicContact CG2-CB 3.72Å; A638-A700 HydrophobicContact CB-CB 3.62Å; S696-A700 WeakPolarHBondContact O-CB 3.48Å; S696-A700 PolarHBondContact O-N 3.48Å; H697-A700 PolarHBondContact O-N 2.8Å; A700-T702 VanDerWaalsContact C-N 3.3Å; A700-T702 PolarHBondContact O-N 2.96Å; A700-I703 PolarHBondContact O-N 2.75Å; A700-V704 WeakPolarHBondContact O-CG2 3.5Å; A700-V704 PolarHBondContact O-N 2.77Å |
| 701 | D | 96 | Very high | 95.4 | Very high | 72 Ų | 72 | 27 Ų | 27 | 39% | 0.385 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 175.1 | -84.3 | -4.3 | 0 | 0 | 0 | 111.3 | H697 A699 N705 | H697-D701 WeakPolarHBondContact O-CB 3.43Å; H697-D701 PolarHBondContact O-N 3.25Å; A699-D701 PolarHBondContact O-N 2.94Å; D701-N705 VanDerWaalsContact O-CB 3.31Å; D701-N705 WeakPolarHBondContact O-CB 3.21Å; D701-N705 PolarHBondContact O-N 3.39Å; D701-N705 PolarHBondContact O-ND2 2.96Å |
| 702 | T | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.8 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | L657 R660 A661 A664 L698 A699 A700 G706 L757 I760 | L657-T702 HydrophobicContact CD1-CG2 4.4Å; R660-T702 PolarHBondContact O-OG1 3.42Å; A661-T702 HydrophobicContact CB-CG2 3.84Å; A664-T702 WeakPolarHBondContact CB-OG1 3.48Å; L698-T702 WeakPolarHBondContact O-CB 3.38Å; L698-T702 PolarHBondContact O-N 3.21Å; L698-T702 PolarHBondContact O-OG1 2.9Å; A699-T702 WeakPolarHBondContact O-CB 3.31Å; A699-T702 PolarHBondContact O-N 3.35Å; A700-T702 VanDerWaalsContact C-N 3.3Å; A700-T702 PolarHBondContact O-N 2.96Å; T702-G706 PolarHBondContact O-N 3.29Å; T702-L757 HydrophobicContact CG2-CD2 4.11Å; T702-I760 HydrophobicContact CG2-CD1 4.14Å; T702-I760 HydrophobicContact CG2-CG2 3.83Å |
| 703 | I | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -50 | 178.4 | -70 | 166.7 | 0 | 0 | 0 | 110.8 | L635 A638 V639 L642 A699 A700 G706 G707 C725 C728 | L635-I703 HydrophobicContact CD2-CD1 4.49Å; A638-I703 HydrophobicContact CB-CB 4.46Å; A638-I703 HydrophobicContact CB-CG2 4.34Å; V639-I703 HydrophobicContact CG2-CD1 4.34Å; V639-I703 HydrophobicContact CG2-CG2 4.48Å; L642-I703 HydrophobicContact CD1-CG2 3.91Å; L642-I703 HydrophobicContact CD2-CG2 4.25Å; L642-I703 HydrophobicContact CG-CG2 4.13Å; A699-I703 VanDerWaalsContact O-CG1 3.29Å; A699-I703 WeakPolarHBondContact O-CG1 3.48Å; A699-I703 PolarHBondContact O-N 2.96Å; A700-I703 PolarHBondContact O-N 2.75Å; I703-G706 PolarHBondContact O-N 3.24Å; I703-G707 PolarHBondContact O-N 3.39Å; I703-C725 HydrophobicContact CG2-CB 4.33Å; I703-C728 HydrophobicContact CG1-CB 4.45Å |
| 704 | V | 96.5 | Very high | 93.9 | Very high | 29 Ų | 29 | 34 Ų | 34 | 18% | 0.176 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | -179.9 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | A638 K641 H647 A700 G706 G707 A708 | A638-V704 HydrophobicContact CB-CG2 3.97Å; K641-V704 HydrophobicContact CD-CG2 3.79Å; H647-V704 PolarHBondContact CE1-O 3.4Å; H647-V704 VanDerWaalsContact CE1-O 3.29Å; H647-V704 WeakPolarHBondContact NE2-CG1 3.43Å; H647-V704 PolarHBondContact NE2-O 3.17Å; A700-V704 WeakPolarHBondContact O-CG2 3.5Å; A700-V704 PolarHBondContact O-N 2.77Å; V704-G706 VanDerWaalsContact C-N 3.32Å; V704-G706 PolarHBondContact O-N 2.93Å; V704-G707 PolarHBondContact O-N 2.93Å; V704-A708 PolarHBondContact O-N 2.75Å |
| 705 | N | 94.9 | Very high | 93.4 | Very high | 28 Ų | 28 | 31.2 Ų | 31.2 | 15% | 0.15 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70 | -30.2 | 178 | -73.3 | -72.4 | 0 | 0 | 0 | 112.3 | L657 D701 A708 T709 | L657-N705 HydrophobicContact CD1-CB 4.28Å; D701-N705 VanDerWaalsContact O-CB 3.31Å; D701-N705 WeakPolarHBondContact O-CB 3.21Å; D701-N705 PolarHBondContact O-N 3.39Å; D701-N705 PolarHBondContact O-ND2 2.96Å; N705-A708 PolarHBondContact O-N 3.07Å; N705-T709 WeakPolarHBondContact O-CB 3.43Å; N705-T709 PolarHBondContact O-N 3.17Å; N705-T709 PolarHBondContact O-OG1 3.45Å; N705-T709 VanDerWaalsContact O-OG1 3.08Å |
| 706 | G | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T702 I703 V704 T709 S710 L721 | T702-G706 PolarHBondContact O-N 3.29Å; I703-G706 PolarHBondContact O-N 3.24Å; V704-G706 VanDerWaalsContact C-N 3.32Å; V704-G706 PolarHBondContact O-N 2.93Å; G706-T709 PolarHBondContact O-N 3.12Å; G706-S710 PolarHBondContact O-N 2.84Å; G706-L721 VanDerWaalsContact O-CD2 3.24Å; G706-L721 WeakPolarHBondContact O-CD2 3.26Å |
| 707 | G | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I703 V704 T709 S710 H711 | I703-G707 PolarHBondContact O-N 3.39Å; V704-G707 PolarHBondContact O-N 2.93Å; G707-T709 VanDerWaalsContact C-N 3.3Å; G707-T709 PolarHBondContact O-N 2.79Å; G707-S710 WeakPolarHBondContact O-CB 3.37Å; G707-S710 PolarHBondContact O-N 3.29Å; G707-S710 VanDerWaalsContact O-N 3.13Å; G707-S710 PolarHBondContact O-OG 2.9Å; G707-H711 PolarHBondContact O-CD2 3.42Å; G707-H711 PolarHBondContact O-CE1 3.37Å; G707-H711 PolarHBondContact O-N 2.96Å; G707-H711 PolarHBondContact O-NE2 2.93Å |
| 708 | A | 92.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -30.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H647 C650 T651 S652 V704 N705 | H647-A708 PolarHBondContact CE1-N 3.24Å; C650-A708 HydrophobicContact CB-CB 3.89Å; T651-A708 WeakPolarHBondContact CA-O 3.46Å; S652-A708 PolarHBondContact N-O 3.43Å; V704-A708 PolarHBondContact O-N 2.75Å; N705-A708 PolarHBondContact O-N 3.07Å |
| 709 | T | 93 | Very high | 92.2 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.2 | -33.6 | 173.7 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | S652 P654 L657 N705 G706 G707 H711 L712 A713 L721 L767 | S652-T709 VanDerWaalsContact CB-OG1 3.24Å; S652-T709 WeakPolarHBondContact CB-OG1 3.23Å; S652-T709 WeakPolarHBondContact O-CA 3.1Å; S652-T709 PolarHBondContact O-OG1 2.71Å; S652-T709 PolarHBondContact OG-OG1 3.33Å; P654-T709 HydrophobicContact CG-CG2 4.18Å; L657-T709 HydrophobicContact CD2-CG2 3.87Å; N705-T709 WeakPolarHBondContact O-CB 3.43Å; N705-T709 PolarHBondContact O-N 3.17Å; N705-T709 PolarHBondContact O-OG1 3.45Å; N705-T709 VanDerWaalsContact O-OG1 3.08Å; G706-T709 PolarHBondContact O-N 3.12Å; G707-T709 VanDerWaalsContact C-N 3.3Å; G707-T709 PolarHBondContact O-N 2.79Å; T709-H711 PolarHBondContact O-N 3.3Å; T709-L712 PolarHBondContact O-N 3.04Å; T709-L712 VanDerWaalsContact O-N 3.15Å; T709-A713 PolarHBondContact O-N 3.4Å; T709-L721 HydrophobicContact CG2-CD2 4.06Å; T709-L767 HydrophobicContact CG2-CD1 4Å |
| 710 | S | 93.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -33.7 | 175.8 | 80.8 | 0 | 0 | 0 | 0 | 112.5 | G706 G707 L712 A713 A718 I722 | G706-S710 PolarHBondContact O-N 2.84Å; G707-S710 WeakPolarHBondContact O-CB 3.37Å; G707-S710 PolarHBondContact O-N 3.29Å; G707-S710 VanDerWaalsContact O-N 3.13Å; G707-S710 PolarHBondContact O-OG 2.9Å; S710-L712 PolarHBondContact O-N 3.37Å; S710-A713 PolarHBondContact O-N 2.99Å; S710-A718 VanDerWaalsContact O-CB 3.23Å; S710-A718 WeakPolarHBondContact O-CB 3.14Å; S710-I722 WeakPolarHBondContact OG-CD1 3.42Å; S710-I722 WeakPolarHBondContact OG-CG1 3.19Å |
| 711 | H | 89.4 | Confident | 91.9 | Very high | 60 Ų | 60 | 42 Ų | 42 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.3 | 179.8 | -57.3 | -28.7 | 0 | 0 | 0 | 113.6 | H647 L648 C650 G707 T709 | H647-H711 AromaticContact ND1-NE2 3.29Å; H647-H711 PolarHBondContact ND1-NE2 2.95Å; H647-H711 PolarHBondContact O-CD2 3.37Å; H647-H711 VanDerWaalsContact O-CD2 3.32Å; H647-H711 PolarHBondContact O-NE2 3.46Å; L648-H711 WeakPolarHBondContact CA-NE2 3.27Å; C650-H711 PolarHBondContact O-CD2 3.01Å; C650-H711 VanDerWaalsContact O-CD2 3.31Å; G707-H711 PolarHBondContact O-CD2 3.42Å; G707-H711 PolarHBondContact O-CE1 3.37Å; G707-H711 PolarHBondContact O-N 2.96Å; G707-H711 PolarHBondContact O-NE2 2.93Å; T709-H711 PolarHBondContact O-N 3.3Å |
| 712 | L | 83.4 | Confident | 91.9 | Very high | 116 Ų | 116 | 39.8 Ų | 39.8 | 61% | 0.607 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -3.5 | 175.4 | -65.4 | -177.8 | 0 | 0 | 0 | 113.3 | T651 T709 S710 | T651-L712 HydrophobicContact CG2-CD1 3.96Å; T651-L712 HydrophobicContact CG2-CD2 3.84Å; T651-L712 HydrophobicContact CG2-CG 3.86Å; T709-L712 PolarHBondContact O-N 3.04Å; T709-L712 VanDerWaalsContact O-N 3.15Å; S710-L712 PolarHBondContact O-N 3.37Å |
| 713 | A | 86.3 | Confident | 91.8 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -88.4 | 156.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T709 S710 A718 L767 | T709-A713 PolarHBondContact O-N 3.4Å; S710-A713 PolarHBondContact O-N 2.99Å; A713-A718 HydrophobicContact CB-CB 3.98Å; A713-L767 HydrophobicContact CB-CD1 3.84Å; A713-L767 HydrophobicContact CB-CD2 3.61Å; A713-L767 HydrophobicContact CB-CG 4.4Å |
| 714 | P | 85.9 | Confident | 91.7 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | trans | -56.2 | 152.4 | 166.9 | -20.7 | 31 | 0 | 0 | 0 | 111.2 | D716 P717 A718 | P714-D716 VanDerWaalsContact C-N 3.35Å; P714-D716 PolarHBondContact O-N 3.29Å; P714-P717 HydrophobicContact CB-CG 3.8Å; P714-P717 HydrophobicContact CG-CG 4.02Å; P714-P717 WeakPolarHBondContact O-CD 3.49Å; P714-P717 VanDerWaalsContact O-CG 3.24Å; P714-P717 WeakPolarHBondContact O-CG 3.32Å; P714-A718 WeakPolarHBondContact O-CB 3.44Å; P714-A718 PolarHBondContact O-N 2.98Å | ||
| 715 | T | 84.7 | Confident | 91.8 | Very high | 109 Ų | 109 | 44 Ų | 44 | 67% | 0.669 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -53.9 | -45.2 | -169.7 | -37.8 | 0 | 0 | 0 | 0 | 113.8 | A718 D719 | T715-A718 WeakPolarHBondContact O-CB 3.47Å; T715-A718 PolarHBondContact O-N 2.93Å; T715-D719 VanDerWaalsContact O-CG 3.31Å; T715-D719 PolarHBondContact O-N 3.22Å |
| 716 | D | 88.8 | Confident | 91.8 | Very high | 112 Ų | 112 | 47.7 Ų | 47.7 | 60% | 0.599 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.4 | -53.4 | -179.1 | -177.8 | 71 | 0 | 0 | 0 | 114 | P714 A718 D719 R720 | P714-D716 VanDerWaalsContact C-N 3.35Å; P714-D716 PolarHBondContact O-N 3.29Å; D716-A718 VanDerWaalsContact C-N 3.29Å; D716-A718 PolarHBondContact O-N 2.93Å; D716-D719 PolarHBondContact O-N 3.16Å; D716-R720 WeakPolarHBondContact O-CG 3.45Å; D716-R720 PolarHBondContact O-N 3.33Å; D716-R720 VanDerWaalsContact O-N 3.16Å |
| 717 | P | 89.5 | Confident | 91.8 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 14% | 0.143 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -24.5 | 173.3 | 26.1 | -34.9 | 0 | 0 | 0 | 113.5 | P714 L721 L767 | P714-P717 HydrophobicContact CB-CG 3.8Å; P714-P717 HydrophobicContact CG-CG 4.02Å; P714-P717 WeakPolarHBondContact O-CD 3.49Å; P714-P717 VanDerWaalsContact O-CG 3.24Å; P714-P717 WeakPolarHBondContact O-CG 3.32Å; P717-L721 WeakPolarHBondContact O-CB 3.39Å; P717-L721 PolarHBondContact O-N 3.28Å; P717-L767 HydrophobicContact CB-CD2 3.96Å; P717-L767 HydrophobicContact CG-CD2 3.97Å |
| 718 | A | 90.6 | Very high | 92 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.4 | -49.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S710 A713 P714 T715 D716 L721 I722 | S710-A718 VanDerWaalsContact O-CB 3.23Å; S710-A718 WeakPolarHBondContact O-CB 3.14Å; A713-A718 HydrophobicContact CB-CB 3.98Å; P714-A718 WeakPolarHBondContact O-CB 3.44Å; P714-A718 PolarHBondContact O-N 2.98Å; T715-A718 WeakPolarHBondContact O-CB 3.47Å; T715-A718 PolarHBondContact O-N 2.93Å; D716-A718 VanDerWaalsContact C-N 3.29Å; D716-A718 PolarHBondContact O-N 2.93Å; A718-L721 PolarHBondContact O-N 3.21Å; A718-I722 WeakPolarHBondContact O-CG1 3.49Å; A718-I722 PolarHBondContact O-N 3.1Å |
| 719 | D | 92.6 | Very high | 92.1 | Very high | 95 Ų | 95 | 52.5 Ų | 52.5 | 51% | 0.508 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 178.7 | -69.8 | -21.3 | 0 | 0 | 0 | 110.7 | T715 D716 L721 I722 D723 | T715-D719 VanDerWaalsContact O-CG 3.31Å; T715-D719 PolarHBondContact O-N 3.22Å; D716-D719 PolarHBondContact O-N 3.16Å; D719-L721 VanDerWaalsContact C-N 3.27Å; D719-L721 PolarHBondContact O-N 2.98Å; D719-I722 PolarHBondContact O-N 2.67Å; D719-D723 PolarHBondContact O-N 2.98Å |
| 720 | R | 94.8 | Very high | 92.2 | Very high | 112 Ų | 112 | 55.2 Ų | 55.2 | 42% | 0.423 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.8 | -39.3 | 174.8 | -71 | 174.5 | 62.6 | -149.9 | -6 | 112.3 | D716 T724 L763 E766 | D716-R720 WeakPolarHBondContact O-CG 3.45Å; D716-R720 PolarHBondContact O-N 3.33Å; D716-R720 VanDerWaalsContact O-N 3.16Å; R720-T724 WeakPolarHBondContact O-CB 3.27Å; R720-T724 PolarHBondContact O-N 3.4Å; R720-T724 PolarHBondContact O-OG1 3.45Å; R720-L763 HydrophobicContact CB-CD1 4.18Å; R720-L763 HydrophobicContact CB-CD2 4.32Å; R720-E766 IonicContact NH1-OE2 3.82Å |
| 721 | L | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.1 | -42 | 179.6 | -177.7 | 59.7 | 0 | 0 | 0 | 111.7 | L657 G706 T709 P717 A718 D719 T724 C725 I760 L763 L767 | L657-L721 HydrophobicContact CD2-CD1 4.1Å; L657-L721 HydrophobicContact CD2-CD2 3.92Å; G706-L721 VanDerWaalsContact O-CD2 3.24Å; G706-L721 WeakPolarHBondContact O-CD2 3.26Å; T709-L721 HydrophobicContact CG2-CD2 4.06Å; P717-L721 WeakPolarHBondContact O-CB 3.39Å; P717-L721 PolarHBondContact O-N 3.28Å; A718-L721 PolarHBondContact O-N 3.21Å; D719-L721 VanDerWaalsContact C-N 3.27Å; D719-L721 PolarHBondContact O-N 2.98Å; L721-T724 PolarHBondContact O-N 3.29Å; L721-C725 WeakPolarHBondContact O-CB 3.24Å; L721-C725 PolarHBondContact O-N 2.6Å; L721-C725 PolarHBondContact O-SG 3.46Å; L721-I760 HydrophobicContact CD1-CB 4.49Å; L721-I760 HydrophobicContact CD1-CG1 4.48Å; L721-I760 HydrophobicContact CD1-CG2 4.05Å; L721-L763 HydrophobicContact CB-CD1 4.18Å; L721-L763 HydrophobicContact CD1-CB 4.06Å; L721-L763 HydrophobicContact CD1-CD1 4.17Å; L721-L767 HydrophobicContact CD2-CD1 4.07Å |
| 722 | I | 94.7 | Very high | 92.7 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.8 | -71.3 | -66.6 | 0 | 0 | 0 | 111.2 | L642 S710 A718 D719 T724 C725 R726 | L642-I722 HydrophobicContact CD2-CD1 4.14Å; S710-I722 WeakPolarHBondContact OG-CD1 3.42Å; S710-I722 WeakPolarHBondContact OG-CG1 3.19Å; A718-I722 WeakPolarHBondContact O-CG1 3.49Å; A718-I722 PolarHBondContact O-N 3.1Å; D719-I722 PolarHBondContact O-N 2.67Å; I722-T724 VanDerWaalsContact C-N 3.35Å; I722-T724 PolarHBondContact O-N 3.41Å; I722-C725 WeakPolarHBondContact O-CB 3.43Å; I722-C725 PolarHBondContact O-N 3.13Å; I722-R726 PolarHBondContact O-N 2.97Å |
| 723 | D | 95.6 | Very high | 93.3 | Very high | 94 Ų | 94 | 50.1 Ų | 50.1 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 179.6 | -74.1 | -19.2 | 0 | 0 | 0 | 111.5 | D719 C725 R726 E727 | D719-D723 PolarHBondContact O-N 2.98Å; D723-C725 VanDerWaalsContact C-N 3.32Å; D723-C725 PolarHBondContact O-N 2.98Å; D723-R726 PolarHBondContact O-N 3.35Å; D723-E727 PolarHBondContact O-N 3.31Å |
| 724 | T | 96.4 | Very high | 93.6 | Very high | 23 Ų | 23 | 55.2 Ų | 55.2 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 176.3 | -45.8 | 0 | 0 | 0 | 0 | 111.7 | R720 L721 I722 C728 P756 I760 | R720-T724 WeakPolarHBondContact O-CB 3.27Å; R720-T724 PolarHBondContact O-N 3.4Å; R720-T724 PolarHBondContact O-OG1 3.45Å; L721-T724 PolarHBondContact O-N 3.29Å; I722-T724 VanDerWaalsContact C-N 3.35Å; I722-T724 PolarHBondContact O-N 3.41Å; T724-C728 WeakPolarHBondContact O-CB 3.25Å; T724-C728 PolarHBondContact O-N 3.48Å; T724-P756 HydrophobicContact CG2-CB 4.43Å; T724-P756 VanDerWaalsContact CG2-O 3.27Å; T724-P756 WeakPolarHBondContact CG2-O 3.41Å; T724-I760 HydrophobicContact CG2-CG1 3.74Å |
| 725 | C | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 173.4 | -70 | 0 | 0 | 0 | 0 | 112.2 | L642 I703 L721 I722 D723 C728 G729 | L642-C725 HydrophobicContact CD1-CB 3.92Å; I703-C725 HydrophobicContact CG2-CB 4.33Å; L721-C725 WeakPolarHBondContact O-CB 3.24Å; L721-C725 PolarHBondContact O-N 2.6Å; L721-C725 PolarHBondContact O-SG 3.46Å; I722-C725 WeakPolarHBondContact O-CB 3.43Å; I722-C725 PolarHBondContact O-N 3.13Å; D723-C725 VanDerWaalsContact C-N 3.32Å; D723-C725 PolarHBondContact O-N 2.98Å; C725-C728 PolarHBondContact O-N 3.32Å; C725-G729 PolarHBondContact O-N 2.89Å |
| 726 | R | 96.1 | Very high | 94.5 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 40% | 0.4 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.6 | -42.7 | 174.8 | -74.1 | -178.8 | 175.5 | 154.4 | -3.1 | 111.9 | L642 D643 I722 D723 G729 A730 | L642-R726 HydrophobicContact CD1-CG 3.82Å; D643-R726 IonicContact OD1-CZ 3.75Å; D643-R726 IonicContact OD1-NE 2.76Å; D643-R726 IonicContact OD1-NH2 2.77Å; D643-R726 PolarHBondContact OD1-NH2 3.32Å; I722-R726 PolarHBondContact O-N 2.97Å; D723-R726 PolarHBondContact O-N 3.35Å; R726-G729 PolarHBondContact O-N 3.38Å; R726-A730 WeakPolarHBondContact O-CB 3.5Å; R726-A730 PolarHBondContact O-N 3.47Å |
| 727 | E | 95.8 | Very high | 94.7 | Very high | 106 Ų | 106 | 42.8 Ų | 42.8 | 50% | 0.495 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -46 | 174.4 | -174.1 | 179.9 | -170.5 | 0 | 0 | 111.2 | D723 G729 A730 C731 P756 | D723-E727 PolarHBondContact O-N 3.31Å; E727-G729 VanDerWaalsContact C-N 3.31Å; E727-G729 PolarHBondContact O-N 2.98Å; E727-A730 PolarHBondContact O-N 3.19Å; E727-C731 WeakPolarHBondContact O-CB 3.24Å; E727-C731 PolarHBondContact O-N 3.28Å; E727-C731 PolarHBondContact O-SG 2.97Å; E727-C731 VanDerWaalsContact O-SG 3.37Å; E727-P756 HydrophobicContact CG-CB 4.3Å |
| 728 | C | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 174.6 | -171.9 | 0 | 0 | 0 | 0 | 112 | I703 T724 C725 A732 P756 L757 I760 | I703-C728 HydrophobicContact CG1-CB 4.45Å; T724-C728 WeakPolarHBondContact O-CB 3.25Å; T724-C728 PolarHBondContact O-N 3.48Å; C725-C728 PolarHBondContact O-N 3.32Å; C728-A732 VanDerWaalsContact O-CB 3.27Å; C728-A732 WeakPolarHBondContact O-CB 3.34Å; C728-A732 PolarHBondContact O-N 3.08Å; C728-P756 HydrophobicContact CB-CB 3.87Å; C728-P756 HydrophobicContact CB-CG 4.29Å; C728-L757 VanDerWaalsContact SG-CD2 3.59Å; C728-I760 HydrophobicContact CB-CD1 3.97Å |
| 729 | G | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | C725 R726 E727 A732 L733 | C725-G729 PolarHBondContact O-N 2.89Å; R726-G729 PolarHBondContact O-N 3.38Å; E727-G729 VanDerWaalsContact C-N 3.31Å; E727-G729 PolarHBondContact O-N 2.98Å; G729-A732 PolarHBondContact O-N 3.4Å; G729-L733 WeakPolarHBondContact O-CB 3.44Å; G729-L733 VanDerWaalsContact O-CG 3.28Å; G729-L733 WeakPolarHBondContact O-CG 3.34Å; G729-L733 PolarHBondContact O-N 3.15Å |
| 730 | A | 95.3 | Very high | 95 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.6 | -49 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R726 E727 A732 L733 E734 | R726-A730 WeakPolarHBondContact O-CB 3.5Å; R726-A730 PolarHBondContact O-N 3.47Å; E727-A730 PolarHBondContact O-N 3.19Å; A730-A732 VanDerWaalsContact C-N 3.29Å; A730-A732 PolarHBondContact O-N 2.89Å; A730-L733 PolarHBondContact O-N 2.84Å; A730-E734 PolarHBondContact O-N 2.85Å |
| 731 | C | 94.9 | Very high | 94.8 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 25% | 0.25 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 176.4 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | E727 L735 L753 | E727-C731 WeakPolarHBondContact O-CB 3.24Å; E727-C731 PolarHBondContact O-N 3.28Å; E727-C731 PolarHBondContact O-SG 2.97Å; E727-C731 VanDerWaalsContact O-SG 3.37Å; C731-L735 PolarHBondContact O-N 3.16Å; C731-L735 VanDerWaalsContact O-N 3.11Å; C731-L753 HydrophobicContact CB-CD2 3.83Å |
| 732 | A | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.7 | -42.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L635 F695 C728 G729 A730 L735 M736 L753 | L635-A732 HydrophobicContact CD1-CB 3.66Å; L635-A732 HydrophobicContact CD2-CB 4.17Å; L635-A732 HydrophobicContact CG-CB 4.48Å; F695-A732 HydrophobicContact CE1-CB 4.3Å; C728-A732 VanDerWaalsContact O-CB 3.27Å; C728-A732 WeakPolarHBondContact O-CB 3.34Å; C728-A732 PolarHBondContact O-N 3.08Å; G729-A732 PolarHBondContact O-N 3.4Å; A730-A732 VanDerWaalsContact C-N 3.29Å; A730-A732 PolarHBondContact O-N 2.89Å; A732-L735 WeakPolarHBondContact O-CB 3.49Å; A732-L735 PolarHBondContact O-N 3.36Å; A732-M736 VanDerWaalsContact O-CG 3.32Å; A732-M736 WeakPolarHBondContact O-CG 3.41Å; A732-M736 PolarHBondContact O-N 3.38Å; A732-L753 HydrophobicContact CB-CD2 3.75Å |
| 733 | L | 96.1 | Very high | 94 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 176.4 | -71.8 | 168.4 | 0 | 0 | 0 | 112.3 | A632 L635 Q636 G729 A730 L735 M736 G737 | A632-L733 HydrophobicContact CB-CD2 4.14Å; A632-L733 VanDerWaalsContact O-CD2 3.3Å; A632-L733 WeakPolarHBondContact O-CD2 3.27Å; L635-L733 HydrophobicContact CB-CD2 3.94Å; L635-L733 HydrophobicContact CB-CG 4.34Å; Q636-L733 HydrophobicContact CB-CD2 4.14Å; Q636-L733 VanDerWaalsContact OE1-CD1 3.31Å; G729-L733 WeakPolarHBondContact O-CB 3.44Å; G729-L733 VanDerWaalsContact O-CG 3.28Å; G729-L733 WeakPolarHBondContact O-CG 3.34Å; G729-L733 PolarHBondContact O-N 3.15Å; A730-L733 PolarHBondContact O-N 2.84Å; L733-L735 VanDerWaalsContact C-N 3.34Å; L733-L735 PolarHBondContact O-N 2.83Å; L733-M736 PolarHBondContact O-N 3.06Å; L733-G737 PolarHBondContact O-N 3.41Å |
| 734 | E | 94.1 | Very high | 93.7 | Very high | 127 Ų | 127 | 49.2 Ų | 49.2 | 59% | 0.593 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.7 | -44.8 | 174.6 | -173 | 179 | 176.2 | 0 | 0 | 111.2 | A730 M736 G737 Q738 | A730-E734 PolarHBondContact O-N 2.85Å; E734-M736 VanDerWaalsContact C-N 3.34Å; E734-M736 PolarHBondContact O-N 2.84Å; E734-G737 PolarHBondContact O-N 3.23Å; E734-G737 VanDerWaalsContact O-N 3.15Å; E734-Q738 WeakPolarHBondContact O-CG 3.33Å; E734-Q738 PolarHBondContact O-N 3.17Å |
| 735 | L | 94.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 175.7 | -167.6 | 80.3 | 0 | 0 | 0 | 111.9 | L671 C731 A732 L733 G737 Q738 L739 V748 A750 L753 | L671-L735 HydrophobicContact CD2-CD2 3.67Å; C731-L735 PolarHBondContact O-N 3.16Å; C731-L735 VanDerWaalsContact O-N 3.11Å; A732-L735 WeakPolarHBondContact O-CB 3.49Å; A732-L735 PolarHBondContact O-N 3.36Å; L733-L735 VanDerWaalsContact C-N 3.34Å; L733-L735 PolarHBondContact O-N 2.83Å; L735-G737 VanDerWaalsContact C-N 3.28Å; L735-G737 PolarHBondContact O-N 3.16Å; L735-Q738 PolarHBondContact O-N 2.73Å; L735-L739 WeakPolarHBondContact O-CG 3.47Å; L735-L739 PolarHBondContact O-N 3.5Å; L735-V748 HydrophobicContact CD1-CG1 3.42Å; L735-V748 VanDerWaalsContact CD1-CG1 3.42Å; L735-V748 HydrophobicContact CG-CG1 4.14Å; L735-A750 HydrophobicContact CD1-CB 4.43Å; L735-A750 HydrophobicContact CD2-CB 4Å; L735-L753 HydrophobicContact CD2-CD1 3.52Å |
| 736 | M | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 176.8 | -63.3 | -49.9 | 94.9 | 0 | 0 | 111.4 | A631 A632 L635 L692 A732 L733 E734 L739 Q740 | A631-M736 HydrophobicContact CB-CG 4.28Å; A631-M736 HydrophobicContact CB-SD 3.52Å; A631-M736 VanDerWaalsContact CB-SD 3.52Å; A632-M736 HydrophobicContact CB-CB 3.81Å; A632-M736 HydrophobicContact CB-CG 4.1Å; L635-M736 HydrophobicContact CD1-CG 3.94Å; L692-M736 HydrophobicContact CD1-CE 3.49Å; L692-M736 VanDerWaalsContact CD1-CE 3.49Å; L692-M736 HydrophobicContact CD1-SD 3.46Å; L692-M736 WeakPolarHBondContact CD1-SD 3.42Å; L692-M736 HydrophobicContact CG-SD 4.1Å; A732-M736 VanDerWaalsContact O-CG 3.32Å; A732-M736 WeakPolarHBondContact O-CG 3.41Å; A732-M736 PolarHBondContact O-N 3.38Å; L733-M736 PolarHBondContact O-N 3.06Å; E734-M736 VanDerWaalsContact C-N 3.34Å; E734-M736 PolarHBondContact O-N 2.84Å; M736-L739 HydrophobicContact CE-CD1 4.09Å; M736-L739 PolarHBondContact O-N 3.03Å; M736-Q740 WeakPolarHBondContact O-CG 3.26Å; M736-Q740 PolarHBondContact O-N 3.13Å; M736-Q740 PolarHBondContact O-NE2 3.25Å |
| 737 | G | 92.4 | Very high | 92.1 | Very high | 38 Ų | 38 | 60.1 Ų | 60.1 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L733 E734 L735 L739 Q740 | L733-G737 PolarHBondContact O-N 3.41Å; E734-G737 PolarHBondContact O-N 3.23Å; E734-G737 VanDerWaalsContact O-N 3.15Å; L735-G737 VanDerWaalsContact C-N 3.28Å; L735-G737 PolarHBondContact O-N 3.16Å; G737-L739 VanDerWaalsContact C-N 3.32Å; G737-L739 PolarHBondContact O-N 3.17Å; G737-Q740 WeakPolarHBondContact O-CB 3.1Å; G737-Q740 PolarHBondContact O-N 2.92Å; G737-Q740 VanDerWaalsContact O-N 3.16Å |
| 738 | Q | 93.1 | Very high | 91.8 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66 | -33.3 | 176.8 | -65.5 | 173.4 | 2.7 | 0 | 0 | 112.5 | E734 L735 Q740 D741 A744 V748 | E734-Q738 WeakPolarHBondContact O-CG 3.33Å; E734-Q738 PolarHBondContact O-N 3.17Å; L735-Q738 PolarHBondContact O-N 2.73Å; Q738-Q740 VanDerWaalsContact C-N 3.25Å; Q738-Q740 PolarHBondContact O-N 2.87Å; Q738-D741 PolarHBondContact O-N 2.73Å; Q738-A744 HydrophobicContact CB-CB 4.15Å; Q738-V748 HydrophobicContact CB-CG2 3.79Å |
| 739 | L | 92.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -20.2 | 174.9 | -74.1 | 170.5 | 0 | 0 | 0 | 113.5 | A628 L688 L692 L735 M736 G737 L745 V748 | A628-L739 HydrophobicContact CB-CB 3.94Å; L688-L739 HydrophobicContact CD2-CD2 4.36Å; L692-L739 HydrophobicContact CD1-CD1 3.56Å; L735-L739 WeakPolarHBondContact O-CG 3.47Å; L735-L739 PolarHBondContact O-N 3.5Å; M736-L739 HydrophobicContact CE-CD1 4.09Å; M736-L739 PolarHBondContact O-N 3.03Å; G737-L739 VanDerWaalsContact C-N 3.32Å; G737-L739 PolarHBondContact O-N 3.17Å; L739-L745 HydrophobicContact CD2-CD2 3.99Å; L739-V748 HydrophobicContact CD2-CG1 4.03Å; L739-V748 HydrophobicContact CD2-CG2 4.12Å; L739-V748 HydrophobicContact CG-CG1 4.22Å; L739-V748 HydrophobicContact CG-CG2 4.39Å |
| 740 | Q | 92.7 | Very high | 90.9 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 29% | 0.29 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -83.1 | -16 | 176 | -69.5 | 172.9 | 51.5 | 0 | 0 | 113.3 | Q625 A628 M736 G737 Q738 | Q625-Q740 HydrophobicContact CG-CB 4.21Å; Q625-Q740 HydrophobicContact CG-CG 4.17Å; Q625-Q740 PolarHBondContact NE2-O 3.49Å; Q625-Q740 VanDerWaalsContact NE2-O 3.08Å; A628-Q740 HydrophobicContact CB-CG 3.79Å; M736-Q740 WeakPolarHBondContact O-CG 3.26Å; M736-Q740 PolarHBondContact O-N 3.13Å; M736-Q740 PolarHBondContact O-NE2 3.25Å; G737-Q740 WeakPolarHBondContact O-CB 3.1Å; G737-Q740 PolarHBondContact O-N 2.92Å; G737-Q740 VanDerWaalsContact O-N 3.16Å; Q738-Q740 VanDerWaalsContact C-N 3.25Å; Q738-Q740 PolarHBondContact O-N 2.87Å |
| 741 | D | 91.3 | Very high | 90.6 | Very high | 76 Ų | 76 | 60.8 Ų | 60.8 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | trans | -103.8 | 119.9 | 177.8 | 178.6 | 9.4 | 0 | 0 | 0 | 111.5 | Q738 Q743 A744 L745 | Q738-D741 PolarHBondContact O-N 2.73Å; D741-Q743 PolarHBondContact O-N 3.05Å; D741-Q743 PolarHBondContact OD1-N 2.87Å; D741-A744 HydrophobicContact CB-CB 3.92Å; D741-A744 PolarHBondContact O-N 2.9Å; D741-A744 VanDerWaalsContact O-N 3.11Å; D741-L745 PolarHBondContact O-N 3.28Å | ||
| 742 | R | 86.8 | Confident | 90.4 | Very high | 112 Ų | 112 | 63.9 Ų | 63.9 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28 | -178.6 | -155.1 | 171.9 | -175.8 | 165.6 | 3.7 | 112.7 | D618 F621 L745 | D618-R742 IonicContact OD1-CZ 3.1Å; D618-R742 IonicContact OD1-NH1 3.27Å; D618-R742 PolarHBondContact OD1-NH1 3.35Å; D618-R742 IonicContact OD1-NH2 2.64Å; D618-R742 PolarHBondContact OD1-NH2 3.08Å; D618-R742 VanDerWaalsContact OD1-NH2 3.1Å; F621-R742 HydrophobicContact CD2-CG 4.22Å; F621-R742 HydrophobicContact CE1-CB 3.98Å; F621-R742 HydrophobicContact CE1-CG 4.29Å; F621-R742 HydrophobicContact CE2-CB 3.92Å; F621-R742 HydrophobicContact CE2-CG 3.99Å; F621-R742 HydrophobicContact CG-CG 4.48Å; F621-R742 HydrophobicContact CZ-CB 3.57Å; F621-R742 HydrophobicContact CZ-CG 4.03Å; R742-L745 HydrophobicContact CG-CD1 4.36Å |
| 743 | Q | 86.1 | Confident | 90.3 | Very high | 166 Ų | 166 | 64 Ų | 64 | 78% | 0.776 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -35.3 | 178.1 | -60 | -173.7 | 4.8 | 0 | 0 | 111.8 | D741 | D741-Q743 PolarHBondContact O-N 3.05Å; D741-Q743 PolarHBondContact OD1-N 2.87Å |
| 744 | A | 88.7 | Confident | 90.2 | Very high | 20 Ų | 20 | 64.8 Ų | 64.8 | 17% | 0.165 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -76.8 | -20.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q738 D741 R746 H747 V748 | Q738-A744 HydrophobicContact CB-CB 4.15Å; D741-A744 HydrophobicContact CB-CB 3.92Å; D741-A744 PolarHBondContact O-N 2.9Å; D741-A744 VanDerWaalsContact O-N 3.11Å; A744-R746 PolarHBondContact O-N 3.05Å; A744-H747 PolarHBondContact O-N 3.4Å; A744-V748 PolarHBondContact O-N 3.48Å |
| 745 | L | 86.9 | Confident | 90.2 | Very high | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -47 | -35.1 | -179.7 | -78.4 | 175.6 | 0 | 0 | 0 | 114.8 | F621 L624 H675 Y678 L739 D741 R742 H747 | F621-L745 HydrophobicContact CD2-CD1 3.95Å; F621-L745 HydrophobicContact CE2-CD1 3.69Å; F621-L745 HydrophobicContact CE2-CG 4.31Å; L624-L745 HydrophobicContact CD2-CD2 3.94Å; H675-L745 PolarHBondContact CE1-O 3.35Å; H675-L745 PolarHBondContact NE2-O 2.96Å; Y678-L745 HydrophobicContact CE1-CD1 3.97Å; Y678-L745 HydrophobicContact CE1-CD2 4.38Å; L739-L745 HydrophobicContact CD2-CD2 3.99Å; D741-L745 PolarHBondContact O-N 3.28Å; R742-L745 HydrophobicContact CG-CD1 4.36Å; L745-H747 PolarHBondContact O-N 3.37Å |
| 746 | R | 84.7 | Confident | 90.3 | Very high | 210 Ų | 210 | 63.3 Ų | 63.3 | 79% | 0.792 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -76.7 | -12.3 | -178.8 | -66.3 | -174.1 | 177.3 | -172.2 | -0.7 | 114.1 | A744 | A744-R746 PolarHBondContact O-N 3.05Š|
| 747 | H | 85.1 | Confident | 90.4 | Very high | 140 Ų | 140 | 63.3 Ų | 63.3 | 65% | 0.648 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -114.5 | 2.9 | -174.1 | -60.2 | -63 | 0 | 0 | 0 | 112.8 | A744 L745 Q749 | A744-H747 PolarHBondContact O-N 3.4Å; L745-H747 PolarHBondContact O-N 3.37Å; H747-Q749 PolarHBondContact O-N 2.89Å |
| 748 | V | 88.4 | Confident | 90.5 | Very high | 14 Ų | 14 | 66.2 Ų | 66.2 | 9% | 0.085 | 32% | 0.316 | C | S | . | . | trans | -63.9 | 125.1 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | L735 Q738 L739 A744 | L735-V748 HydrophobicContact CD1-CG1 3.42Å; L735-V748 VanDerWaalsContact CD1-CG1 3.42Å; L735-V748 HydrophobicContact CG-CG1 4.14Å; Q738-V748 HydrophobicContact CB-CG2 3.79Å; L739-V748 HydrophobicContact CD2-CG1 4.03Å; L739-V748 HydrophobicContact CD2-CG2 4.12Å; L739-V748 HydrophobicContact CG-CG1 4.22Å; L739-V748 HydrophobicContact CG-CG2 4.39Å; A744-V748 PolarHBondContact O-N 3.48Å | ||
| 749 | Q | 86.4 | Confident | 90.7 | Very high | 110 Ų | 110 | 64.6 Ų | 64.6 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | trans | -121.9 | 88.2 | 179.5 | -67.9 | -179.9 | 25.9 | 0 | 0 | 111 | H747 S751 L752 | H747-Q749 PolarHBondContact O-N 2.89Å; Q749-S751 PolarHBondContact O-N 2.91Å; Q749-L752 HydrophobicContact CB-CD1 4.04Å; Q749-L752 HydrophobicContact CB-CG 4.11Å; Q749-L752 PolarHBondContact O-N 3.42Å | ||
| 750 | A | 89.3 | Confident | 90.9 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -65.3 | -19.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | V668 L671 E672 L735 L752 L753 | V668-A750 WeakPolarHBondContact CG1-O 3.38Å; L671-A750 HydrophobicContact CD2-CB 3.96Å; L671-A750 HydrophobicContact CG-CB 4.09Å; E672-A750 HydrophobicContact CG-CB 3.8Å; L735-A750 HydrophobicContact CD1-CB 4.43Å; L735-A750 HydrophobicContact CD2-CB 4Å; A750-L752 PolarHBondContact O-N 3.49Å; A750-L753 WeakPolarHBondContact O-CB 3.38Å; A750-L753 PolarHBondContact O-N 3.35Å |
| 751 | S | 88.5 | Confident | 91 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 34% | 0.343 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -59.5 | -29.1 | 177.8 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | E672 Q749 L753 R754 | E672-S751 WeakPolarHBondContact OE1-CA 3.27Å; E672-S751 WeakPolarHBondContact OE1-CB 3.47Å; E672-S751 PolarHBondContact OE1-N 3.33Å; Q749-S751 PolarHBondContact O-N 2.91Å; S751-L753 PolarHBondContact O-N 2.96Å; S751-L753 VanDerWaalsContact O-N 3.17Å; S751-R754 WeakPolarHBondContact O-CB 3.36Å; S751-R754 PolarHBondContact O-N 2.89Å |
| 752 | L | 90.1 | Very high | 91.2 | Very high | 101 Ų | 101 | 63.9 Ų | 63.9 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -62.5 | -21.8 | -179.3 | -64.6 | 175.9 | 0 | 0 | 0 | 112.8 | Q749 A750 R754 P756 | Q749-L752 HydrophobicContact CB-CD1 4.04Å; Q749-L752 HydrophobicContact CB-CG 4.11Å; Q749-L752 PolarHBondContact O-N 3.42Å; A750-L752 PolarHBondContact O-N 3.49Å; L752-R754 VanDerWaalsContact C-N 3.29Å; L752-R754 PolarHBondContact O-N 3.21Å; L752-P756 VanDerWaalsContact O-CD 3.24Å; L752-P756 WeakPolarHBondContact O-CD 3.2Å |
| 753 | L | 93.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -73.8 | -19.2 | 176.9 | -67.5 | 164.7 | 0 | 0 | 0 | 113.6 | V668 L671 F695 C731 A732 L735 A750 S751 T755 P756 L757 | V668-L753 HydrophobicContact CG2-CB 4.17Å; L671-L753 HydrophobicContact CD2-CD1 4.43Å; F695-L753 HydrophobicContact CE1-CD1 3.74Å; F695-L753 HydrophobicContact CE2-CD1 4.1Å; F695-L753 HydrophobicContact CZ-CB 4.43Å; F695-L753 HydrophobicContact CZ-CD1 3.42Å; F695-L753 VanDerWaalsContact CZ-CD1 3.42Å; F695-L753 HydrophobicContact CZ-CD2 4.19Å; F695-L753 HydrophobicContact CZ-CG 4.23Å; C731-L753 HydrophobicContact CB-CD2 3.83Å; A732-L753 HydrophobicContact CB-CD2 3.75Å; L735-L753 HydrophobicContact CD2-CD1 3.52Å; A750-L753 WeakPolarHBondContact O-CB 3.38Å; A750-L753 PolarHBondContact O-N 3.35Å; S751-L753 PolarHBondContact O-N 2.96Å; S751-L753 VanDerWaalsContact O-N 3.17Å; L753-T755 VanDerWaalsContact C-N 3.33Å; L753-T755 PolarHBondContact O-N 3.17Å; L753-P756 WeakPolarHBondContact O-CD 3.23Å; L753-P756 WeakPolarHBondContact O-CG 3.48Å; L753-L757 WeakPolarHBondContact O-CB 3.13Å; L753-L757 WeakPolarHBondContact O-CD1 3.26Å; L753-L757 WeakPolarHBondContact O-CG 3.39Å; L753-L757 PolarHBondContact O-N 3.3Å |
| 754 | R | 94.7 | Very high | 91.7 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | -178.9 | -69.1 | -157.2 | 172 | 87.3 | -1.4 | 112.1 | L665 V668 S669 E672 S751 L752 Q758 | L665-R754 HydrophobicContact CD1-CB 3.92Å; L665-R754 HydrophobicContact CD1-CG 3.91Å; V668-R754 HydrophobicContact CB-CG 4.31Å; V668-R754 HydrophobicContact CG1-CG 3.85Å; S669-R754 PolarHBondContact OG-NH2 3.26Å; E672-R754 IonicContact OE1-CZ 2.78Å; E672-R754 IonicContact OE1-NH1 2.74Å; E672-R754 PolarHBondContact OE1-NH1 2.8Å; E672-R754 IonicContact OE1-NH2 3.73Å; E672-R754 IonicContact OE2-CZ 2.73Å; E672-R754 IonicContact OE2-NH1 3.76Å; E672-R754 PolarHBondContact OE2-NH1 3.06Å; E672-R754 IonicContact OE2-NH2 3.04Å; E672-R754 PolarHBondContact OE2-NH2 3.05Å; S751-R754 WeakPolarHBondContact O-CB 3.36Å; S751-R754 PolarHBondContact O-N 2.89Å; L752-R754 VanDerWaalsContact C-N 3.29Å; L752-R754 PolarHBondContact O-N 3.21Å; R754-Q758 VanDerWaalsContact O-CB 3.25Å; R754-Q758 WeakPolarHBondContact O-CB 3.46Å; R754-Q758 WeakPolarHBondContact O-CG 3.42Å; R754-Q758 PolarHBondContact O-N 3.39Å |
| 755 | T | 94.6 | Very high | 91.8 | Very high | 99 Ų | 99 | 54.8 Ų | 54.8 | 61% | 0.607 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.5 | -55.7 | -177.2 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | L753 L757 Q758 G759 | L753-T755 VanDerWaalsContact C-N 3.33Å; L753-T755 PolarHBondContact O-N 3.17Å; T755-L757 PolarHBondContact O-N 3.15Å; T755-Q758 PolarHBondContact O-N 3.4Å; T755-G759 PolarHBondContact O-N 3.37Å |
| 756 | P | 95.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 179 | 25.8 | -34.7 | 0 | 0 | 0 | 112.5 | T724 E727 C728 L752 L753 G759 I760 | T724-P756 HydrophobicContact CG2-CB 4.43Å; T724-P756 VanDerWaalsContact CG2-O 3.27Å; T724-P756 WeakPolarHBondContact CG2-O 3.41Å; E727-P756 HydrophobicContact CG-CB 4.3Å; C728-P756 HydrophobicContact CB-CB 3.87Å; C728-P756 HydrophobicContact CB-CG 4.29Å; L752-P756 VanDerWaalsContact O-CD 3.24Å; L752-P756 WeakPolarHBondContact O-CD 3.2Å; L753-P756 WeakPolarHBondContact O-CD 3.23Å; L753-P756 WeakPolarHBondContact O-CG 3.48Å; P756-G759 PolarHBondContact O-N 3.04Å; P756-I760 WeakPolarHBondContact O-CG1 3.35Å; P756-I760 PolarHBondContact O-N 2.91Å |
| 757 | L | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 175.3 | -74.5 | 171.2 | 0 | 0 | 0 | 112.8 | A664 L665 V668 F695 T702 C728 L753 T755 G759 I760 L761 | A664-L757 HydrophobicContact CB-CD1 4.33Å; A664-L757 HydrophobicContact CB-CD2 3.95Å; L665-L757 HydrophobicContact CD1-CB 4.07Å; V668-L757 HydrophobicContact CG2-CD1 3.77Å; F695-L757 HydrophobicContact CE2-CD1 4.05Å; T702-L757 HydrophobicContact CG2-CD2 4.11Å; C728-L757 VanDerWaalsContact SG-CD2 3.59Å; L753-L757 WeakPolarHBondContact O-CB 3.13Å; L753-L757 WeakPolarHBondContact O-CD1 3.26Å; L753-L757 WeakPolarHBondContact O-CG 3.39Å; L753-L757 PolarHBondContact O-N 3.3Å; T755-L757 PolarHBondContact O-N 3.15Å; L757-G759 VanDerWaalsContact C-N 3.32Å; L757-I760 PolarHBondContact O-N 3.05Å; L757-L761 WeakPolarHBondContact O-CB 3.24Å; L757-L761 PolarHBondContact O-N 3.03Å |
| 758 | Q | 96.3 | Very high | 91.7 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.7 | -37.4 | 172.1 | -77.9 | 172.2 | -1.7 | 0 | 0 | 111.6 | L665 R754 T755 L761 Q762 | L665-Q758 HydrophobicContact CD1-CG 3.92Å; L665-Q758 HydrophobicContact CD2-CG 3.75Å; R754-Q758 VanDerWaalsContact O-CB 3.25Å; R754-Q758 WeakPolarHBondContact O-CB 3.46Å; R754-Q758 WeakPolarHBondContact O-CG 3.42Å; R754-Q758 PolarHBondContact O-N 3.39Å; T755-Q758 PolarHBondContact O-N 3.4Å; Q758-L761 WeakPolarHBondContact O-CB 3.49Å; Q758-L761 PolarHBondContact O-N 3.2Å; Q758-Q762 WeakPolarHBondContact O-CB 3.45Å; Q758-Q762 PolarHBondContact O-N 2.99Å |
| 759 | G | 95.8 | Very high | 90.5 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 22% | 0.216 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T755 P756 L757 L761 Q762 L763 | T755-G759 PolarHBondContact O-N 3.37Å; P756-G759 PolarHBondContact O-N 3.04Å; L757-G759 VanDerWaalsContact C-N 3.32Å; G759-L761 VanDerWaalsContact C-N 3.34Å; G759-L761 PolarHBondContact O-N 3.09Å; G759-Q762 PolarHBondContact O-N 3.46Å; G759-L763 WeakPolarHBondContact O-CB 3.39Å; G759-L763 WeakPolarHBondContact O-CG 3.34Å; G759-L763 PolarHBondContact O-N 3.32Å |
| 760 | I | 96.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.6 | -64.7 | 168.4 | 0 | 0 | 0 | 110.7 | L657 A661 T702 L721 T724 C728 P756 L757 L763 G764 | L657-I760 HydrophobicContact CD1-CG2 3.8Å; L657-I760 HydrophobicContact CD2-CG2 4.32Å; L657-I760 HydrophobicContact CG-CG2 4.23Å; A661-I760 HydrophobicContact CB-CG2 4.17Å; T702-I760 HydrophobicContact CG2-CD1 4.14Å; T702-I760 HydrophobicContact CG2-CG2 3.83Å; L721-I760 HydrophobicContact CD1-CB 4.49Å; L721-I760 HydrophobicContact CD1-CG1 4.48Å; L721-I760 HydrophobicContact CD1-CG2 4.05Å; T724-I760 HydrophobicContact CG2-CG1 3.74Å; C728-I760 HydrophobicContact CB-CD1 3.97Å; P756-I760 WeakPolarHBondContact O-CG1 3.35Å; P756-I760 PolarHBondContact O-N 2.91Å; L757-I760 PolarHBondContact O-N 3.05Å; I760-L763 PolarHBondContact O-N 3.36Å; I760-G764 PolarHBondContact O-N 3Å |
| 761 | L | 95.8 | Very high | 87.1 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 178.2 | 179.6 | 65.7 | 0 | 0 | 0 | 111.7 | V658 A661 Q662 L665 L757 Q758 G759 G764 Q765 | V658-L761 HydrophobicContact CB-CD1 4.26Å; V658-L761 HydrophobicContact CG1-CD1 3.77Å; V658-L761 HydrophobicContact CG2-CD1 4.44Å; V658-L761 WeakPolarHBondContact O-CD1 3.43Å; A661-L761 HydrophobicContact CB-CB 4.03Å; A661-L761 HydrophobicContact CB-CD1 4.09Å; Q662-L761 HydrophobicContact CB-CD1 4.34Å; L665-L761 HydrophobicContact CD2-CD2 4.35Å; L757-L761 WeakPolarHBondContact O-CB 3.24Å; L757-L761 PolarHBondContact O-N 3.03Å; Q758-L761 WeakPolarHBondContact O-CB 3.49Å; Q758-L761 PolarHBondContact O-N 3.2Å; G759-L761 VanDerWaalsContact C-N 3.34Å; G759-L761 PolarHBondContact O-N 3.09Å; L761-G764 PolarHBondContact O-N 3.16Å; L761-Q765 WeakPolarHBondContact O-CG 3.39Å; L761-Q765 PolarHBondContact O-N 2.96Å |
| 762 | Q | 94.9 | Very high | 85.1 | Confident | 109 Ų | 109 | 65.4 Ų | 65.4 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 179.6 | -176.1 | -179.9 | -11.8 | 0 | 0 | 111.4 | Q758 G759 G764 Q765 E766 | Q758-Q762 WeakPolarHBondContact O-CB 3.45Å; Q758-Q762 PolarHBondContact O-N 2.99Å; G759-Q762 PolarHBondContact O-N 3.46Å; Q762-G764 VanDerWaalsContact C-N 3.3Å; Q762-G764 PolarHBondContact O-N 3.21Å; Q762-Q765 WeakPolarHBondContact O-CB 3.25Å; Q762-Q765 PolarHBondContact O-N 3.46Å; Q762-E766 PolarHBondContact NE2-OE1 3.18Å; Q762-E766 VanDerWaalsContact NE2-OE1 3.08Å; Q762-E766 WeakPolarHBondContact O-CG 3.48Å; Q762-E766 PolarHBondContact O-N 3.43Å |
| 763 | L | 93.5 | Very high | 83 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.8 | -73.8 | 170.2 | 0 | 0 | 0 | 111.6 | R720 L721 G759 I760 Q765 E766 L767 | R720-L763 HydrophobicContact CB-CD1 4.18Å; R720-L763 HydrophobicContact CB-CD2 4.32Å; L721-L763 HydrophobicContact CB-CD1 4.18Å; L721-L763 HydrophobicContact CD1-CB 4.06Å; L721-L763 HydrophobicContact CD1-CD1 4.17Å; G759-L763 WeakPolarHBondContact O-CB 3.39Å; G759-L763 WeakPolarHBondContact O-CG 3.34Å; G759-L763 PolarHBondContact O-N 3.32Å; I760-L763 PolarHBondContact O-N 3.36Å; L763-Q765 VanDerWaalsContact C-N 3.29Å; L763-Q765 PolarHBondContact O-N 3.31Å; L763-E766 PolarHBondContact O-N 2.74Å; L763-L767 WeakPolarHBondContact O-CB 3.43Å; L763-L767 VanDerWaalsContact O-CG 3.26Å; L763-L767 WeakPolarHBondContact O-CG 3.4Å; L763-L767 PolarHBondContact O-N 2.78Å |
| 764 | G | 91.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P654 I760 L761 Q762 | P654-G764 WeakPolarHBondContact CB-O 3.39Å; I760-G764 PolarHBondContact O-N 3Å; L761-G764 PolarHBondContact O-N 3.16Å; Q762-G764 VanDerWaalsContact C-N 3.3Å; Q762-G764 PolarHBondContact O-N 3.21Å |
| 765 | Q | 90 | Very high | 78.9 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.8 | -40.5 | 174.9 | -71.4 | 173.2 | 3 | 0 | 0 | 112.3 | V658 L761 Q762 L763 L767 K768 | V658-Q765 HydrophobicContact CG1-CG 4.28Å; V658-Q765 HydrophobicContact CG2-CG 3.89Å; L761-Q765 WeakPolarHBondContact O-CG 3.39Å; L761-Q765 PolarHBondContact O-N 2.96Å; Q762-Q765 WeakPolarHBondContact O-CB 3.25Å; Q762-Q765 PolarHBondContact O-N 3.46Å; L763-Q765 VanDerWaalsContact C-N 3.29Å; L763-Q765 PolarHBondContact O-N 3.31Å; Q765-L767 VanDerWaalsContact C-N 3.26Å; Q765-L767 PolarHBondContact O-N 2.98Å; Q765-K768 WeakPolarHBondContact O-CB 3.36Å; Q765-K768 PolarHBondContact O-N 3.47Å |
| 766 | E | 89 | Confident | 77 | Confident | 96 Ų | 96 | 77.5 Ų | 77.5 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -34.3 | 176.5 | -72.7 | 174.2 | -166.2 | 0 | 0 | 112 | R720 Q762 L763 K768 | R720-E766 IonicContact NH1-OE2 3.82Å; Q762-E766 PolarHBondContact NE2-OE1 3.18Å; Q762-E766 VanDerWaalsContact NE2-OE1 3.08Å; Q762-E766 WeakPolarHBondContact O-CG 3.48Å; Q762-E766 PolarHBondContact O-N 3.43Å; L763-E766 PolarHBondContact O-N 2.74Å; E766-K768 VanDerWaalsContact C-N 3.29Å; E766-K768 PolarHBondContact O-N 3.12Å |
| 767 | L | 85.5 | Confident | 75 | Confident | 30 Ų | 30 | 85.5 Ų | 85.5 | 16% | 0.157 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6 | 178.5 | -70.9 | 171.7 | 0 | 0 | 0 | 114.3 | P654 T709 A713 P717 L721 L763 Q765 | P654-L767 HydrophobicContact CB-CB 3.9Å; P654-L767 HydrophobicContact CG-CB 3.82Å; P654-L767 WeakPolarHBondContact CG-O 3.46Å; T709-L767 HydrophobicContact CG2-CD1 4Å; A713-L767 HydrophobicContact CB-CD1 3.84Å; A713-L767 HydrophobicContact CB-CD2 3.61Å; A713-L767 HydrophobicContact CB-CG 4.4Å; P717-L767 HydrophobicContact CB-CD2 3.96Å; P717-L767 HydrophobicContact CG-CD2 3.97Å; L721-L767 HydrophobicContact CD2-CD1 4.07Å; L763-L767 WeakPolarHBondContact O-CB 3.43Å; L763-L767 VanDerWaalsContact O-CG 3.26Å; L763-L767 WeakPolarHBondContact O-CG 3.4Å; L763-L767 PolarHBondContact O-N 2.78Å; Q765-L767 VanDerWaalsContact C-N 3.26Å; Q765-L767 PolarHBondContact O-N 2.98Å |
| 768 | K | 79.7 | Confident | 73.3 | Confident | 74 Ų | 74 | 90.4 Ų | 90.4 | 32% | 0.322 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -65 | 134.6 | 176.6 | -68.3 | -169.6 | -177.8 | -148.2 | 0 | 110.4 | P654 D655 Q765 E766 K770 | P654-K768 HydrophobicContact CB-CG 4.24Å; D655-K768 WeakPolarHBondContact OD1-CD 3.41Å; D655-K768 WeakPolarHBondContact OD1-CE 3.46Å; D655-K768 IonicContact OD1-NZ 3.28Å; D655-K768 PolarHBondContact OD1-NZ 2.91Å; Q765-K768 WeakPolarHBondContact O-CB 3.36Å; Q765-K768 PolarHBondContact O-N 3.47Å; E766-K768 VanDerWaalsContact C-N 3.29Å; E766-K768 PolarHBondContact O-N 3.12Å; K768-K770 PolarHBondContact O-N 3.22Å; K768-K770 VanDerWaalsContact O-N 3.09Å |
| 769 | P | 63.3 | Low | 71.8 | Confident | 101 Ų | 101 | 86.1 Ų | 86.1 | 66% | 0.656 | 43% | 0.433 | S | S | * | . | trans | -57.1 | 119.5 | 174 | -19.9 | 30.1 | 0 | 0 | 0 | 109.8 | S771 | P769-S771 PolarHBondContact O-N 3.33Š| ||
| 770 | K | 56.1 | Low | 70.3 | Confident | 193 Ų | 193 | 85.1 Ų | 85.1 | 84% | 0.839 | 42% | 0.423 | S | S | * | . | trans | -68.6 | 101.9 | 171.5 | -66.3 | -179.4 | -177.2 | 176.7 | 0 | 107.2 | K768 L772 | K768-K770 PolarHBondContact O-N 3.22Å; K768-K770 VanDerWaalsContact O-N 3.09Å; K770-L772 PolarHBondContact O-N 3.41Å | ||
| 771 | S | 47.4 | Very low | 69 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 78% | 0.776 | 44% | 0.442 | S | S | * | . | trans | -64.9 | 101.9 | -179.9 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | P769 | P769-S771 PolarHBondContact O-N 3.33Š| ||
| 772 | L | 47.8 | Very low | 68.1 | Low | 154 Ų | 154 | 89.7 Ų | 89.7 | 81% | 0.806 | 45% | 0.453 | S | S | * | . | trans | -106.5 | 125.4 | 162.7 | -83.7 | 152.8 | 0 | 0 | 0 | 108.1 | K770 | K770-L772 PolarHBondContact O-N 3.41Š| ||
| 773 | D | 45.2 | Very low | 67.5 | Low | 148 Ų | 148 | 84.6 Ų | 84.6 | 79% | 0.791 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 72.9 | 67.9 | 160.2 | -74.1 | -20.6 | 0 | 0 | 0 | 122.4 | ||
| 774 | V | 49.2 | Very low | 67 | Low | 82 Ų | 82 | 87.4 Ų | 87.4 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | S | Bend | -136.3 | 126.2 | 122.9 | -178.1 | 0 | 0 | 0 | 0 | 105.7 | Q776 L779 | V774-Q776 PolarHBondContact O-N 3.25Å; V774-L779 HydrophobicContact CB-CD1 4.3Å; V774-L779 HydrophobicContact CG1-CD1 3.86Å; V774-L779 HydrophobicContact CG1-CD2 4.29Å; V774-L779 HydrophobicContact CG1-CG 3.87Å | |
| 775 | R | 53.6 | Low | 66.8 | Low | 180 Ų | 180 | 94.4 Ų | 94.4 | 68% | 0.679 | 48% | 0.475 | S | S | * | . | trans | -57.1 | 105.7 | 177 | -68.3 | 179.6 | -173 | 168.8 | 0 | 108.3 | E777 E778 | R775-E777 PolarHBondContact O-N 3.46Å; R775-E778 HydrophobicContact CB-CG 4.44Å; R775-E778 IonicContact NH1-OE1 3.9Å; R775-E778 PolarHBondContact O-N 3.07Å | ||
| 776 | Q | 53.8 | Low | 66.8 | Low | 103 Ų | 103 | 90.9 Ų | 90.9 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -51.5 | -26.3 | -177.5 | -97.7 | 172.6 | -15.4 | 0 | 0 | 112.6 | V774 E778 A863 | V774-Q776 PolarHBondContact O-N 3.25Å; Q776-E778 PolarHBondContact O-N 3.36Å; Q776-A863 HydrophobicContact CB-CB 4.19Å; Q776-A863 WeakPolarHBondContact O-CB 3.46Å |
| 777 | E | 53.9 | Low | 66.8 | Low | 171 Ų | 171 | 86.5 Ų | 86.5 | 80% | 0.799 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.8 | -25.2 | 176.8 | -66.6 | -179.5 | 162.9 | 0 | 0 | 114.4 | R775 | R775-E777 PolarHBondContact O-N 3.46Å |
| 778 | E | 59.9 | Low | 67 | Low | 104 Ų | 104 | 88 Ų | 88 | 49% | 0.486 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -91.2 | -23.4 | -176.3 | -69.8 | 178.3 | -164.7 | 0 | 0 | 113.7 | R775 Q776 G780 A781 M782 | R775-E778 HydrophobicContact CB-CG 4.44Å; R775-E778 IonicContact NH1-OE1 3.9Å; R775-E778 PolarHBondContact O-N 3.07Å; Q776-E778 PolarHBondContact O-N 3.36Å; E778-G780 VanDerWaalsContact C-N 3.31Å; E778-G780 PolarHBondContact O-N 3.1Å; E778-A781 PolarHBondContact O-N 3.26Å; E778-M782 PolarHBondContact O-N 3.14Å |
| 779 | L | 64.8 | Low | 67.6 | Low | 8 Ų | 8 | 87.8 Ų | 87.8 | 4% | 0.042 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.6 | -34 | -178.3 | -80.8 | 162 | 0 | 0 | 0 | 112.6 | V774 A781 M782 T869 E870 I873 | V774-L779 HydrophobicContact CB-CD1 4.3Å; V774-L779 HydrophobicContact CG1-CD1 3.86Å; V774-L779 HydrophobicContact CG1-CD2 4.29Å; V774-L779 HydrophobicContact CG1-CG 3.87Å; L779-A781 PolarHBondContact O-N 3.5Å; L779-M782 PolarHBondContact O-N 3.43Å; L779-T869 HydrophobicContact CB-CG2 4.15Å; L779-T869 HydrophobicContact CD2-CG2 4.39Å; L779-E870 HydrophobicContact CD2-CG 3.94Å; L779-I873 HydrophobicContact CD2-CD1 4.22Å |
| 780 | G | 65 | Low | 69 | Low | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -69 | -30.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E778 | E778-G780 VanDerWaalsContact C-N 3.31Å; E778-G780 PolarHBondContact O-N 3.1Å |
| 781 | A | 68.4 | Low | 70.8 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -83 | -18.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E778 L779 | E778-A781 PolarHBondContact O-N 3.26Å; L779-A781 PolarHBondContact O-N 3.5Å |
| 782 | M | 77.6 | Confident | 72.9 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 31% | 0.31 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -78.1 | -29.4 | -174.9 | -162.6 | 178.4 | -58.9 | 0 | 0 | 113 | E778 L779 E786 I873 | E778-M782 PolarHBondContact O-N 3.14Å; L779-M782 PolarHBondContact O-N 3.43Å; M782-E786 VanDerWaalsContact O-CB 3.25Å; M782-E786 WeakPolarHBondContact O-CB 3.24Å; M782-E786 PolarHBondContact O-N 3.08Å; M782-I873 HydrophobicContact CB-CD1 3.9Å; M782-I873 HydrophobicContact CG-CD1 4.01Å; M782-I873 HydrophobicContact SD-CD1 4.18Å; M782-I873 HydrophobicContact SD-CG2 4.43Å |
| 783 | V | 83.2 | Confident | 75 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -55.2 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | K785 E786 M787 Y862 T869 L872 I873 | V783-K785 VanDerWaalsContact C-N 3.3Å; V783-K785 PolarHBondContact O-N 3.32Å; V783-E786 PolarHBondContact O-N 2.84Å; V783-M787 HydrophobicContact CG1-CG 4.31Å; V783-M787 WeakPolarHBondContact O-CB 3.46Å; V783-M787 VanDerWaalsContact O-CG 3.23Å; V783-M787 WeakPolarHBondContact O-CG 3.48Å; V783-M787 PolarHBondContact O-N 3.21Å; V783-Y862 HydrophobicContact CB-CE2 4.31Å; V783-Y862 HydrophobicContact CG1-CE1 4.29Å; V783-Y862 HydrophobicContact CG1-CE2 4.45Å; V783-Y862 HydrophobicContact CG2-CD1 4.09Å; V783-Y862 HydrophobicContact CG2-CD2 4.3Å; V783-Y862 HydrophobicContact CG2-CE1 4.23Å; V783-Y862 HydrophobicContact CG2-CE2 4.44Å; V783-Y862 HydrophobicContact CG2-CG 4.12Å; V783-T869 HydrophobicContact CG2-CG2 3.48Å; V783-T869 VanDerWaalsContact CG2-CG2 3.48Å; V783-L872 HydrophobicContact CG1-CD2 3.72Å; V783-I873 HydrophobicContact CG2-CD1 3.92Å; V783-I873 HydrophobicContact CG2-CG1 3.92Å |
| 784 | D | 82.8 | Confident | 77.3 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | -178.2 | -68.3 | -43 | 0 | 0 | 0 | 111.4 | A788 Q858 | D784-A788 VanDerWaalsContact O-CB 3.24Å; D784-A788 WeakPolarHBondContact O-CB 3.37Å; D784-A788 PolarHBondContact O-N 3.3Å; D784-Q858 PolarHBondContact OD2-NE2 3.16Å |
| 785 | K | 86.6 | Confident | 79.3 | Confident | 147 Ų | 147 | 58.5 Ų | 58.5 | 64% | 0.639 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.5 | -44.9 | 174.8 | -176.8 | -178.4 | 177.2 | -176.3 | 0 | 111.7 | V783 A788 T789 | V783-K785 VanDerWaalsContact C-N 3.3Å; V783-K785 PolarHBondContact O-N 3.32Å; K785-A788 PolarHBondContact O-N 3.38Å; K785-T789 WeakPolarHBondContact O-CB 3.44Å; K785-T789 PolarHBondContact O-N 2.95Å; K785-T789 PolarHBondContact O-OG1 3.35Å |
| 786 | E | 90.8 | Very high | 81.1 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.4 | -42.8 | -177.8 | -168 | 59.2 | -129.6 | 0 | 0 | 112.1 | M782 V783 A788 T789 T790 I873 K877 | M782-E786 VanDerWaalsContact O-CB 3.25Å; M782-E786 WeakPolarHBondContact O-CB 3.24Å; M782-E786 PolarHBondContact O-N 3.08Å; V783-E786 PolarHBondContact O-N 2.84Å; E786-A788 VanDerWaalsContact C-N 3.28Å; E786-A788 PolarHBondContact O-N 3.31Å; E786-T789 PolarHBondContact O-N 2.71Å; E786-T789 VanDerWaalsContact O-N 3.17Å; E786-T790 WeakPolarHBondContact O-CB 3.38Å; E786-T790 PolarHBondContact O-N 2.92Å; E786-T790 PolarHBondContact O-OG1 2.73Å; E786-I873 HydrophobicContact CB-CG2 4.3Å; E786-I873 HydrophobicContact CG-CG2 4.04Å; E786-K877 HydrophobicContact CG-CD 4.45Å; E786-K877 HydrophobicContact CG-CG 3.69Å; E786-K877 WeakPolarHBondContact OE1-CG 3.42Å; E786-K877 WeakPolarHBondContact OE2-CE 3.48Å; E786-K877 IonicContact OE2-NZ 2.72Å |
| 787 | M | 89.3 | Confident | 82.9 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -39.7 | 174.9 | -66.3 | -66 | -65.8 | 0 | 0 | 111 | V783 S791 V838 T842 S876 L917 | V783-M787 HydrophobicContact CG1-CG 4.31Å; V783-M787 WeakPolarHBondContact O-CB 3.46Å; V783-M787 VanDerWaalsContact O-CG 3.23Å; V783-M787 WeakPolarHBondContact O-CG 3.48Å; V783-M787 PolarHBondContact O-N 3.21Å; M787-S791 WeakPolarHBondContact O-CB 3.12Å; M787-S791 PolarHBondContact O-N 3.44Å; M787-V838 HydrophobicContact CE-CG1 4.19Å; M787-T842 WeakPolarHBondContact CE-OG1 3.44Å; M787-S876 PolarHBondContact SD-OG 2.98Å; M787-L917 HydrophobicContact SD-CD1 4.47Å |
| 788 | A | 89.4 | Confident | 84.7 | Confident | 60 Ų | 60 | 40.9 Ų | 40.9 | 50% | 0.496 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D784 K785 E786 S791 A792 | D784-A788 VanDerWaalsContact O-CB 3.24Å; D784-A788 WeakPolarHBondContact O-CB 3.37Å; D784-A788 PolarHBondContact O-N 3.3Å; K785-A788 PolarHBondContact O-N 3.38Å; E786-A788 VanDerWaalsContact C-N 3.28Å; E786-A788 PolarHBondContact O-N 3.31Å; A788-S791 PolarHBondContact O-N 3.16Å; A788-A792 WeakPolarHBondContact O-CB 3.46Å; A788-A792 PolarHBondContact O-N 3.04Å |
| 789 | T | 91.9 | Very high | 86.2 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 44% | 0.436 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | K785 E786 A792 A793 | K785-T789 WeakPolarHBondContact O-CB 3.44Å; K785-T789 PolarHBondContact O-N 2.95Å; K785-T789 PolarHBondContact O-OG1 3.35Å; E786-T789 PolarHBondContact O-N 2.71Å; E786-T789 VanDerWaalsContact O-N 3.17Å; T789-A792 PolarHBondContact O-N 3.27Å; T789-A793 PolarHBondContact O-N 3.02Å |
| 790 | T | 93.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.5 | -58.4 | 0 | 0 | 0 | 0 | 111 | E786 A792 A793 I794 V838 S876 V879 | E786-T790 WeakPolarHBondContact O-CB 3.38Å; E786-T790 PolarHBondContact O-N 2.92Å; E786-T790 PolarHBondContact O-OG1 2.73Å; T790-A792 VanDerWaalsContact C-N 3.35Å; T790-A792 PolarHBondContact O-N 3.42Å; T790-A793 PolarHBondContact O-N 3.2Å; T790-I794 HydrophobicContact CG2-CD1 4.1Å; T790-I794 WeakPolarHBondContact O-CD1 3.47Å; T790-I794 WeakPolarHBondContact O-CG1 3.42Å; T790-I794 PolarHBondContact O-N 3.35Å; T790-I794 VanDerWaalsContact O-N 3.07Å; T790-V838 HydrophobicContact CG2-CG1 4.32Å; T790-V838 HydrophobicContact CG2-CG2 4.16Å; T790-S876 WeakPolarHBondContact CB-OG 3.41Å; T790-S876 WeakPolarHBondContact CG2-O 3.49Å; T790-S876 PolarHBondContact OG1-O 3.21Å; T790-S876 VanDerWaalsContact OG1-O 3.06Å; T790-S876 PolarHBondContact OG1-OG 2.94Å; T790-V879 HydrophobicContact CG2-CB 4.17Å; T790-V879 HydrophobicContact CG2-CG1 4.04Å |
| 791 | S | 92.5 | Very high | 88.8 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.1 | -168.5 | 0 | 0 | 0 | 0 | 112.3 | M787 A788 I794 E795 | M787-S791 WeakPolarHBondContact O-CB 3.12Å; M787-S791 PolarHBondContact O-N 3.44Å; A788-S791 PolarHBondContact O-N 3.16Å; S791-I794 PolarHBondContact O-N 2.98Å; S791-E795 WeakPolarHBondContact O-CG 3.42Å; S791-E795 PolarHBondContact O-N 2.96Å |
| 792 | A | 91.9 | Very high | 89.8 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A788 T789 T790 I794 E795 D796 | A788-A792 WeakPolarHBondContact O-CB 3.46Å; A788-A792 PolarHBondContact O-N 3.04Å; T789-A792 PolarHBondContact O-N 3.27Å; T790-A792 VanDerWaalsContact C-N 3.35Å; T790-A792 PolarHBondContact O-N 3.42Å; A792-I794 VanDerWaalsContact C-N 3.32Å; A792-I794 PolarHBondContact O-N 3.44Å; A792-E795 PolarHBondContact O-N 2.91Å; A792-D796 WeakPolarHBondContact O-CB 3.15Å; A792-D796 PolarHBondContact O-N 3.27Å |
| 793 | A | 92.8 | Very high | 90.4 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T789 T790 A797 | T789-A793 PolarHBondContact O-N 3.02Å; T790-A793 PolarHBondContact O-N 3.2Å; A793-A797 VanDerWaalsContact O-CB 3.24Å; A793-A797 WeakPolarHBondContact O-CB 3.44Å; A793-A797 PolarHBondContact O-N 3.08Å |
| 794 | I | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68 | -40.4 | 175.6 | -64.2 | 157.6 | 0 | 0 | 0 | 111.2 | T790 S791 A792 A797 V798 M831 I834 R835 V838 V879 A883 | T790-I794 HydrophobicContact CG2-CD1 4.1Å; T790-I794 WeakPolarHBondContact O-CD1 3.47Å; T790-I794 WeakPolarHBondContact O-CG1 3.42Å; T790-I794 PolarHBondContact O-N 3.35Å; T790-I794 VanDerWaalsContact O-N 3.07Å; S791-I794 PolarHBondContact O-N 2.98Å; A792-I794 VanDerWaalsContact C-N 3.32Å; A792-I794 PolarHBondContact O-N 3.44Å; I794-A797 WeakPolarHBondContact O-CB 3.43Å; I794-A797 PolarHBondContact O-N 3.41Å; I794-V798 WeakPolarHBondContact O-CG2 3.33Å; I794-V798 PolarHBondContact O-N 3.21Å; I794-M831 HydrophobicContact CG2-SD 4.44Å; I794-I834 HydrophobicContact CD1-CG2 3.69Å; I794-I834 HydrophobicContact CG1-CG2 4.17Å; I794-R835 HydrophobicContact CG2-CB 3.84Å; I794-R835 HydrophobicContact CG2-CG 4.46Å; I794-V838 HydrophobicContact CD1-CB 4.17Å; I794-V838 HydrophobicContact CD1-CG2 3.6Å; I794-V879 HydrophobicContact CD1-CG1 4.4Å; I794-A883 HydrophobicContact CG1-CB 4.03Å |
| 795 | E | 90.9 | Very high | 91 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 177.1 | -72.9 | -176.2 | 173.4 | 0 | 0 | 112.9 | S791 A792 V798 R799 R835 | S791-E795 WeakPolarHBondContact O-CG 3.42Å; S791-E795 PolarHBondContact O-N 2.96Å; A792-E795 PolarHBondContact O-N 2.91Å; E795-V798 PolarHBondContact O-N 3.01Å; E795-R799 PolarHBondContact O-N 3.44Å; E795-R799 VanDerWaalsContact O-N 3.16Å; E795-R835 IonicContact OE1-CZ 3.14Å; E795-R835 IonicContact OE1-NE 2.64Å; E795-R835 PolarHBondContact OE1-NE 3.19Å; E795-R835 IonicContact OE1-NH2 2.75Å; E795-R835 PolarHBondContact OE1-NH2 2.9Å |
| 796 | D | 91.9 | Very high | 91 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 172.1 | -167.8 | 56.2 | 0 | 0 | 0 | 111 | A792 V798 R799 R800 | A792-D796 WeakPolarHBondContact O-CB 3.15Å; A792-D796 PolarHBondContact O-N 3.27Å; D796-V798 VanDerWaalsContact C-N 3.35Å; D796-V798 PolarHBondContact O-N 3.4Å; D796-R799 PolarHBondContact O-N 2.73Å; D796-R800 WeakPolarHBondContact O-CG 3.41Å; D796-R800 PolarHBondContact O-N 3.49Å; D796-R800 IonicContact OD2-CZ 3.9Å; D796-R800 IonicContact OD2-NE 3.7Å; D796-R800 PolarHBondContact OD2-NE 3.15Å; D796-R800 IonicContact OD2-NH2 2.7Å; D796-R800 PolarHBondContact OD2-NH2 3.3Å |
| 797 | A | 91.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57 | -44.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A793 I794 R800 I801 M831 V887 | A793-A797 VanDerWaalsContact O-CB 3.24Å; A793-A797 WeakPolarHBondContact O-CB 3.44Å; A793-A797 PolarHBondContact O-N 3.08Å; I794-A797 WeakPolarHBondContact O-CB 3.43Å; I794-A797 PolarHBondContact O-N 3.41Å; A797-R800 PolarHBondContact O-N 3.44Å; A797-I801 VanDerWaalsContact O-CG1 3.28Å; A797-I801 WeakPolarHBondContact O-CG1 3.34Å; A797-I801 PolarHBondContact O-N 3.24Å; A797-M831 HydrophobicContact CB-CE 3.93Å; A797-M831 HydrophobicContact CB-SD 4.18Å; A797-V887 HydrophobicContact CB-CG2 3.47Å; A797-V887 VanDerWaalsContact CB-CG2 3.47Å |
| 798 | V | 90.9 | Very high | 90.5 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | I794 E795 D796 R800 I801 E802 M831 | I794-V798 WeakPolarHBondContact O-CG2 3.33Å; I794-V798 PolarHBondContact O-N 3.21Å; E795-V798 PolarHBondContact O-N 3.01Å; D796-V798 VanDerWaalsContact C-N 3.35Å; D796-V798 PolarHBondContact O-N 3.4Å; V798-R800 VanDerWaalsContact C-N 3.35Å; V798-R800 PolarHBondContact O-N 3.33Å; V798-I801 PolarHBondContact O-N 3.36Å; V798-E802 PolarHBondContact O-N 2.94Å; V798-M831 HydrophobicContact CG2-CB 3.53Å; V798-M831 HydrophobicContact CG2-CG 4.38Å |
| 799 | R | 90.8 | Very high | 90.4 | Very high | 139 Ų | 139 | 53.1 Ų | 53.1 | 53% | 0.525 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 178.9 | -76.5 | -176 | -116.6 | 156.7 | -4.1 | 112 | E795 D796 I801 E802 D803 | E795-R799 PolarHBondContact O-N 3.44Å; E795-R799 VanDerWaalsContact O-N 3.16Å; D796-R799 PolarHBondContact O-N 2.73Å; R799-I801 VanDerWaalsContact C-N 3.31Å; R799-I801 PolarHBondContact O-N 3.12Å; R799-E802 WeakPolarHBondContact O-CB 3.5Å; R799-E802 PolarHBondContact O-N 3.42Å; R799-D803 PolarHBondContact O-N 2.96Å |
| 800 | R | 93.3 | Very high | 89.9 | Confident | 114 Ų | 114 | 58 Ų | 58 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 176.4 | -70.9 | -174.4 | -164.5 | -171.1 | 6.2 | 112.2 | D796 A797 V798 D803 M804 V887 | D796-R800 WeakPolarHBondContact O-CG 3.41Å; D796-R800 PolarHBondContact O-N 3.49Å; D796-R800 IonicContact OD2-CZ 3.9Å; D796-R800 IonicContact OD2-NE 3.7Å; D796-R800 PolarHBondContact OD2-NE 3.15Å; D796-R800 IonicContact OD2-NH2 2.7Å; D796-R800 PolarHBondContact OD2-NH2 3.3Å; A797-R800 PolarHBondContact O-N 3.44Å; V798-R800 VanDerWaalsContact C-N 3.35Å; V798-R800 PolarHBondContact O-N 3.33Å; R800-D803 PolarHBondContact O-N 3.47Å; R800-M804 WeakPolarHBondContact O-CB 3.34Å; R800-M804 VanDerWaalsContact O-CG 3.27Å; R800-M804 WeakPolarHBondContact O-CG 3.47Å; R800-M804 PolarHBondContact O-N 3.41Å; R800-V887 HydrophobicContact CB-CG1 3.72Å |
| 801 | I | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 174.4 | -63.5 | 162 | 0 | 0 | 0 | 111.6 | A797 V798 R799 M804 M805 L824 C827 T828 M831 V887 | A797-I801 VanDerWaalsContact O-CG1 3.28Å; A797-I801 WeakPolarHBondContact O-CG1 3.34Å; A797-I801 PolarHBondContact O-N 3.24Å; V798-I801 PolarHBondContact O-N 3.36Å; R799-I801 VanDerWaalsContact C-N 3.31Å; R799-I801 PolarHBondContact O-N 3.12Å; I801-M804 VanDerWaalsContact CA-CE 3.47Å; I801-M804 HydrophobicContact CB-CE 4.05Å; I801-M804 HydrophobicContact CG1-CE 3.65Å; I801-M804 PolarHBondContact O-N 2.87Å; I801-M805 WeakPolarHBondContact O-CG 3.48Å; I801-M805 PolarHBondContact O-N 3.09Å; I801-L824 HydrophobicContact CG2-CB 4.17Å; I801-L824 HydrophobicContact CG2-CD2 4.07Å; I801-L824 WeakPolarHBondContact CG2-O 3.46Å; I801-C827 HydrophobicContact CD1-CB 3.99Å; I801-T828 WeakPolarHBondContact CG2-OG1 3.37Å; I801-M831 HydrophobicContact CD1-CG 3.77Å; I801-V887 HydrophobicContact CD1-CG2 3.8Å; I801-V887 HydrophobicContact CG1-CG1 4.4Å; I801-V887 HydrophobicContact CG1-CG2 3.82Å |
| 802 | E | 89 | Confident | 88.4 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.6 | -68.9 | 175.2 | 171.3 | 0 | 0 | 112.1 | V798 R799 M805 N806 | V798-E802 PolarHBondContact O-N 2.94Å; R799-E802 WeakPolarHBondContact O-CB 3.5Å; R799-E802 PolarHBondContact O-N 3.42Å; E802-M805 WeakPolarHBondContact O-CB 2.98Å; E802-M805 PolarHBondContact O-N 3.02Å; E802-N806 PolarHBondContact O-N 2.93Å; E802-N806 VanDerWaalsContact O-N 3.14Å; E802-N806 PolarHBondContact O-ND2 2.88Å |
| 803 | D | 90.3 | Very high | 87.8 | Confident | 92 Ų | 92 | 63.9 Ų | 63.9 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 174.6 | -72.4 | -23.2 | 0 | 0 | 0 | 111.5 | R799 R800 M805 N806 Q807 | R799-D803 PolarHBondContact O-N 2.96Å; R800-D803 PolarHBondContact O-N 3.47Å; D803-M805 VanDerWaalsContact C-N 3.32Å; D803-M805 PolarHBondContact O-N 3.32Å; D803-N806 PolarHBondContact O-N 3.35Å; D803-Q807 WeakPolarHBondContact O-CG 3.45Å; D803-Q807 PolarHBondContact O-N 2.97Å |
| 804 | M | 91.1 | Very high | 87.3 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 174.4 | -73.2 | -174.7 | -63.7 | 0 | 0 | 112.1 | R800 I801 N806 Q807 A808 L824 V887 A890 D891 | R800-M804 WeakPolarHBondContact O-CB 3.34Å; R800-M804 VanDerWaalsContact O-CG 3.27Å; R800-M804 WeakPolarHBondContact O-CG 3.47Å; R800-M804 PolarHBondContact O-N 3.41Å; I801-M804 VanDerWaalsContact CA-CE 3.47Å; I801-M804 HydrophobicContact CB-CE 4.05Å; I801-M804 HydrophobicContact CG1-CE 3.65Å; I801-M804 PolarHBondContact O-N 2.87Å; M804-N806 VanDerWaalsContact C-N 3.32Å; M804-N806 PolarHBondContact O-N 2.95Å; M804-Q807 PolarHBondContact O-N 3.05Å; M804-A808 VanDerWaalsContact O-CB 3.28Å; M804-A808 WeakPolarHBondContact O-CB 3.38Å; M804-A808 PolarHBondContact O-N 3.42Å; M804-L824 HydrophobicContact CB-CD1 4.13Å; M804-L824 HydrophobicContact CB-CD2 4.12Å; M804-L824 HydrophobicContact CE-CD2 3.83Å; M804-L824 HydrophobicContact SD-CD2 4.37Å; M804-V887 HydrophobicContact CE-CG1 3.8Å; M804-A890 HydrophobicContact CE-CB 4.23Å; M804-D891 WeakPolarHBondContact SD-CA 3.37Å; M804-D891 HydrophobicContact SD-CB 3.33Å; M804-D891 WeakPolarHBondContact SD-CB 3.33Å |
| 805 | M | 86.8 | Confident | 86.8 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 176.3 | -77.3 | -177.4 | 70.3 | 0 | 0 | 111.6 | I801 E802 D803 R809 L824 N825 | I801-M805 WeakPolarHBondContact O-CG 3.48Å; I801-M805 PolarHBondContact O-N 3.09Å; E802-M805 WeakPolarHBondContact O-CB 2.98Å; E802-M805 PolarHBondContact O-N 3.02Å; D803-M805 VanDerWaalsContact C-N 3.32Å; D803-M805 PolarHBondContact O-N 3.32Å; M805-R809 WeakPolarHBondContact O-CG 3.45Å; M805-R809 PolarHBondContact O-N 3.43Å; M805-L824 HydrophobicContact CB-CD1 4.26Å; M805-L824 HydrophobicContact CG-CB 3.51Å; M805-L824 HydrophobicContact CG-CD1 3.62Å; M805-L824 HydrophobicContact CG-CG 4.19Å; M805-L824 HydrophobicContact SD-CB 4.23Å; M805-N825 WeakPolarHBondContact CE-OD1 3.26Å |
| 806 | N | 87 | Confident | 86.4 | Confident | 78 Ų | 78 | 70.1 Ų | 70.1 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 177.5 | -68.1 | -36.3 | 0 | 0 | 0 | 111.5 | E802 D803 M804 R809 H810 | E802-N806 PolarHBondContact O-N 2.93Å; E802-N806 VanDerWaalsContact O-N 3.14Å; E802-N806 PolarHBondContact O-ND2 2.88Å; D803-N806 PolarHBondContact O-N 3.35Å; M804-N806 VanDerWaalsContact C-N 3.32Å; M804-N806 PolarHBondContact O-N 2.95Å; N806-R809 PolarHBondContact O-N 2.85Å; N806-H810 PolarHBondContact O-CD2 3.1Å; N806-H810 PolarHBondContact O-N 3.39Å |
| 807 | Q | 86.3 | Confident | 86.2 | Confident | 114 Ų | 114 | 69.1 Ų | 69.1 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.8 | -69.7 | 176.6 | 16.3 | 0 | 0 | 112.2 | D803 M804 R809 H810 A811 | D803-Q807 WeakPolarHBondContact O-CG 3.45Å; D803-Q807 PolarHBondContact O-N 2.97Å; M804-Q807 PolarHBondContact O-N 3.05Å; Q807-R809 VanDerWaalsContact C-N 3.29Å; Q807-R809 PolarHBondContact O-N 3.4Å; Q807-H810 PolarHBondContact O-N 3.47Å; Q807-A811 WeakPolarHBondContact O-CB 3.45Å; Q807-A811 PolarHBondContact O-N 3.28Å |
| 808 | A | 84.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 2% | 0.017 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M804 H810 A811 S812 L817 N820 L824 V894 | M804-A808 VanDerWaalsContact O-CB 3.28Å; M804-A808 WeakPolarHBondContact O-CB 3.38Å; M804-A808 PolarHBondContact O-N 3.42Å; A808-H810 VanDerWaalsContact C-N 3.26Å; A808-H810 PolarHBondContact O-N 3.25Å; A808-A811 PolarHBondContact O-N 3.35Å; A808-S812 PolarHBondContact O-N 2.87Å; A808-S812 PolarHBondContact O-OG 2.79Å; A808-L817 HydrophobicContact CB-CD1 4.46Å; A808-L817 WeakPolarHBondContact O-CD1 3.38Å; A808-N820 HydrophobicContact CB-CB 4.38Å; A808-L824 HydrophobicContact CB-CD1 4.34Å; A808-V894 HydrophobicContact CB-CG1 3.92Å |
| 809 | R | 85.6 | Confident | 85.8 | Confident | 124 Ų | 124 | 73.3 Ų | 73.3 | 47% | 0.468 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -29.8 | 175.2 | -74.8 | 172.5 | 176.8 | 165.1 | 1.9 | 114.2 | M805 N806 Q807 L817 E821 | M805-R809 WeakPolarHBondContact O-CG 3.45Å; M805-R809 PolarHBondContact O-N 3.43Å; N806-R809 PolarHBondContact O-N 2.85Å; Q807-R809 VanDerWaalsContact C-N 3.29Å; Q807-R809 PolarHBondContact O-N 3.4Å; R809-L817 HydrophobicContact CB-CD1 4.49Å; R809-L817 HydrophobicContact CG-CD1 4.16Å; R809-E821 IonicContact CZ-OE1 2.74Å; R809-E821 IonicContact NE-OE1 3.62Å; R809-E821 PolarHBondContact NE-OE1 2.85Å; R809-E821 IonicContact NH2-OE1 2.91Å; R809-E821 PolarHBondContact NH2-OE1 3.39Å; R809-E821 VanDerWaalsContact NH2-OE1 3.13Å |
| 810 | H | 81.4 | Confident | 85.8 | Confident | 172 Ų | 172 | 66.8 Ų | 66.8 | 80% | 0.796 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -89.7 | -31 | 177.8 | -67.2 | -57.4 | 0 | 0 | 0 | 112.9 | N806 Q807 A808 | N806-H810 PolarHBondContact O-CD2 3.1Å; N806-H810 PolarHBondContact O-N 3.39Å; Q807-H810 PolarHBondContact O-N 3.47Å; A808-H810 VanDerWaalsContact C-N 3.26Å; A808-H810 PolarHBondContact O-N 3.25Å |
| 811 | A | 76.7 | Confident | 85.6 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 75% | 0.752 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -96.1 | -17.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q807 A808 | Q807-A811 WeakPolarHBondContact O-CB 3.45Å; Q807-A811 PolarHBondContact O-N 3.28Å; A808-A811 PolarHBondContact O-N 3.35Å |
| 812 | S | 77.9 | Confident | 85.6 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 12% | 0.119 | 36% | 0.363 | C | S | . | . | trans | -130.1 | 152 | -176.6 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | A808 L817 | A808-S812 PolarHBondContact O-N 2.87Å; A808-S812 PolarHBondContact O-OG 2.79Å; S812-L817 WeakPolarHBondContact OG-CD1 3.48Å | ||
| 813 | S | 79.9 | Confident | 85.8 | Confident | 101 Ų | 101 | 63.8 Ų | 63.8 | 71% | 0.706 | 34% | 0.342 | S | S | * | . | trans | -141.1 | 159.5 | 179.1 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 814 | G | 82.9 | Confident | 86 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -148.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K816 L817 E818 | G814-K816 PolarHBondContact O-N 2.94Å; G814-K816 VanDerWaalsContact O-N 3.11Å; G814-L817 PolarHBondContact O-N 2.94Å; G814-E818 PolarHBondContact O-N 3.32Å |
| 815 | V | 81.7 | Confident | 86.1 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -53.9 | -34.2 | -177.5 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | L817 E818 V819 Q959 | V815-L817 PolarHBondContact O-N 3.4Å; V815-E818 PolarHBondContact O-N 3.14Å; V815-V819 HydrophobicContact CG1-CG2 4.41Å; V815-V819 WeakPolarHBondContact O-CG2 3.45Å; V815-V819 PolarHBondContact O-N 3.26Å; V815-Q959 HydrophobicContact CG1-CB 4.38Å |
| 816 | K | 82.9 | Confident | 86.5 | Confident | 86 Ų | 86 | 62 Ų | 62 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 179.5 | -167.5 | 170.8 | -179.2 | 173.5 | 0 | 113 | G814 N820 H896 I960 | G814-K816 PolarHBondContact O-N 2.94Å; G814-K816 VanDerWaalsContact O-N 3.11Å; K816-N820 WeakPolarHBondContact O-CB 3.49Å; K816-N820 VanDerWaalsContact O-CG 3.26Å; K816-N820 PolarHBondContact O-N 3.5Å; K816-N820 VanDerWaalsContact O-N 3.13Å; K816-N820 PolarHBondContact O-ND2 3.41Å; K816-H896 WeakPolarHBondContact CE-CD2 3.33Å; K816-H896 WeakPolarHBondContact CE-CE1 3.12Å; K816-H896 WeakPolarHBondContact CE-NE2 3.14Å; K816-H896 PolarHBondContact NZ-CD2 2.98Å; K816-H896 VanDerWaalsContact NZ-CD2 3.3Å; K816-H896 PolarHBondContact NZ-NE2 3.31Å; K816-I960 HydrophobicContact CG-CD1 4.28Å |
| 817 | L | 86.9 | Confident | 86.9 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.2 | -42.5 | 175 | 176.4 | 61 | 0 | 0 | 0 | 111 | A808 R809 S812 G814 V815 V819 N820 E821 | A808-L817 HydrophobicContact CB-CD1 4.46Å; A808-L817 WeakPolarHBondContact O-CD1 3.38Å; R809-L817 HydrophobicContact CB-CD1 4.49Å; R809-L817 HydrophobicContact CG-CD1 4.16Å; S812-L817 WeakPolarHBondContact OG-CD1 3.48Å; G814-L817 PolarHBondContact O-N 2.94Å; V815-L817 PolarHBondContact O-N 3.4Å; L817-V819 VanDerWaalsContact C-N 3.32Å; L817-V819 PolarHBondContact O-N 3.04Å; L817-N820 PolarHBondContact O-N 3.49Å; L817-E821 HydrophobicContact CD1-CG 4.06Å; L817-E821 HydrophobicContact CG-CG 4.44Å; L817-E821 WeakPolarHBondContact O-CG 3.47Å; L817-E821 PolarHBondContact O-N 2.9Å |
| 818 | E | 86.2 | Confident | 87.2 | Confident | 113 Ų | 113 | 53.3 Ų | 53.3 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 179.3 | -64.8 | -178.7 | 179 | 0 | 0 | 112.2 | G814 V815 R822 | G814-E818 PolarHBondContact O-N 3.32Å; V815-E818 PolarHBondContact O-N 3.14Å; E818-R822 WeakPolarHBondContact O-CB 3.42Å; E818-R822 PolarHBondContact O-N 3.35Å |
| 819 | V | 88.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -48.4 | 175.3 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | V815 L817 E821 R822 I823 Q959 I960 | V815-V819 HydrophobicContact CG1-CG2 4.41Å; V815-V819 WeakPolarHBondContact O-CG2 3.45Å; V815-V819 PolarHBondContact O-N 3.26Å; L817-V819 VanDerWaalsContact C-N 3.32Å; L817-V819 PolarHBondContact O-N 3.04Å; V819-E821 PolarHBondContact O-N 3.48Å; V819-R822 PolarHBondContact O-N 2.88Å; V819-I823 HydrophobicContact CG1-CD1 3.83Å; V819-I823 WeakPolarHBondContact O-CG1 3.39Å; V819-I823 PolarHBondContact O-N 3.31Å; V819-Q959 HydrophobicContact CG2-CB 3.91Å; V819-I960 HydrophobicContact CB-CD1 3.79Å; V819-I960 HydrophobicContact CB-CG1 4.39Å; V819-I960 HydrophobicContact CG1-CD1 3.53Å; V819-I960 HydrophobicContact CG1-CG1 4.31Å; V819-I960 HydrophobicContact CG2-CD1 4.2Å; V819-I960 HydrophobicContact CG2-CG1 4.26Å |
| 820 | N | 90.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 179.2 | -74.6 | -11.8 | 0 | 0 | 0 | 111.8 | A808 K816 L817 I823 L824 V894 | A808-N820 HydrophobicContact CB-CB 4.38Å; K816-N820 WeakPolarHBondContact O-CB 3.49Å; K816-N820 VanDerWaalsContact O-CG 3.26Å; K816-N820 PolarHBondContact O-N 3.5Å; K816-N820 VanDerWaalsContact O-N 3.13Å; K816-N820 PolarHBondContact O-ND2 3.41Å; L817-N820 PolarHBondContact O-N 3.49Å; N820-I823 PolarHBondContact O-N 3.26Å; N820-L824 WeakPolarHBondContact O-CB 3.2Å; N820-L824 VanDerWaalsContact O-CG 3.26Å; N820-L824 WeakPolarHBondContact O-CG 3.46Å; N820-L824 PolarHBondContact O-N 2.96Å; N820-V894 HydrophobicContact CB-CG2 4.43Å |
| 821 | E | 90.3 | Very high | 88.8 | Confident | 49 Ų | 49 | 42 Ų | 42 | 23% | 0.229 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 175.4 | -75.2 | -164.6 | 138.5 | 0 | 0 | 112.2 | R809 L817 V819 N825 | R809-E821 IonicContact CZ-OE1 2.74Å; R809-E821 IonicContact NE-OE1 3.62Å; R809-E821 PolarHBondContact NE-OE1 2.85Å; R809-E821 IonicContact NH2-OE1 2.91Å; R809-E821 PolarHBondContact NH2-OE1 3.39Å; R809-E821 VanDerWaalsContact NH2-OE1 3.13Å; L817-E821 HydrophobicContact CD1-CG 4.06Å; L817-E821 HydrophobicContact CG-CG 4.44Å; L817-E821 WeakPolarHBondContact O-CG 3.47Å; L817-E821 PolarHBondContact O-N 2.9Å; V819-E821 PolarHBondContact O-N 3.48Å; E821-N825 VanDerWaalsContact O-CB 3.23Å; E821-N825 WeakPolarHBondContact O-CB 3.17Å; E821-N825 PolarHBondContact O-N 3.36Å; E821-N825 PolarHBondContact O-ND2 3.03Å |
| 822 | R | 91.9 | Very high | 89.6 | Confident | 97 Ų | 97 | 43.2 Ų | 43.2 | 37% | 0.366 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 177.8 | -171.2 | -175.6 | -64.1 | 142 | 8.5 | 111.5 | E818 V819 S826 | E818-R822 WeakPolarHBondContact O-CB 3.42Å; E818-R822 PolarHBondContact O-N 3.35Å; V819-R822 PolarHBondContact O-N 2.88Å; R822-S826 PolarHBondContact O-N 2.78Å |
| 823 | I | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -51.4 | 178.4 | -67.8 | 171.2 | 0 | 0 | 0 | 110.3 | V819 N820 N825 S826 C827 V893 Y900 L903 | V819-I823 HydrophobicContact CG1-CD1 3.83Å; V819-I823 WeakPolarHBondContact O-CG1 3.39Å; V819-I823 PolarHBondContact O-N 3.31Å; N820-I823 PolarHBondContact O-N 3.26Å; I823-N825 VanDerWaalsContact C-N 3.34Å; I823-N825 PolarHBondContact O-N 3.29Å; I823-S826 PolarHBondContact O-N 3.45Å; I823-S826 VanDerWaalsContact O-N 3.11Å; I823-S826 PolarHBondContact O-OG 3.02Å; I823-C827 PolarHBondContact O-N 2.83Å; I823-C827 PolarHBondContact O-SG 3.17Å; I823-V893 HydrophobicContact CD1-CG1 4.31Å; I823-Y900 HydrophobicContact CD1-CD1 4.38Å; I823-Y900 HydrophobicContact CD1-CE1 3.86Å; I823-L903 HydrophobicContact CG2-CD2 3.52Å |
| 824 | L | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -36 | -178.7 | -67.7 | 172.6 | 0 | 0 | 0 | 113 | I801 M804 M805 A808 N820 C827 T828 A890 V894 | I801-L824 HydrophobicContact CG2-CB 4.17Å; I801-L824 HydrophobicContact CG2-CD2 4.07Å; I801-L824 WeakPolarHBondContact CG2-O 3.46Å; M804-L824 HydrophobicContact CB-CD1 4.13Å; M804-L824 HydrophobicContact CB-CD2 4.12Å; M804-L824 HydrophobicContact CE-CD2 3.83Å; M804-L824 HydrophobicContact SD-CD2 4.37Å; M805-L824 HydrophobicContact CB-CD1 4.26Å; M805-L824 HydrophobicContact CG-CB 3.51Å; M805-L824 HydrophobicContact CG-CD1 3.62Å; M805-L824 HydrophobicContact CG-CG 4.19Å; M805-L824 HydrophobicContact SD-CB 4.23Å; A808-L824 HydrophobicContact CB-CD1 4.34Å; N820-L824 WeakPolarHBondContact O-CB 3.2Å; N820-L824 VanDerWaalsContact O-CG 3.26Å; N820-L824 WeakPolarHBondContact O-CG 3.46Å; N820-L824 PolarHBondContact O-N 2.96Å; L824-C827 PolarHBondContact O-N 2.98Å; L824-T828 WeakPolarHBondContact O-CB 3.39Å; L824-T828 PolarHBondContact O-N 2.74Å; L824-T828 PolarHBondContact O-OG1 3.33Å; L824-A890 HydrophobicContact CD2-CB 4.33Å; L824-V894 HydrophobicContact CD1-CG2 3.87Å; L824-V894 HydrophobicContact CD2-CG2 3.93Å; L824-V894 HydrophobicContact CG-CG2 3.93Å |
| 825 | N | 93.4 | Very high | 91.7 | Very high | 76 Ų | 76 | 40.8 Ų | 40.8 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 172.2 | -78.2 | -42.3 | 0 | 0 | 0 | 111.7 | M805 E821 I823 T828 D829 | M805-N825 WeakPolarHBondContact CE-OD1 3.26Å; E821-N825 VanDerWaalsContact O-CB 3.23Å; E821-N825 WeakPolarHBondContact O-CB 3.17Å; E821-N825 PolarHBondContact O-N 3.36Å; E821-N825 PolarHBondContact O-ND2 3.03Å; I823-N825 VanDerWaalsContact C-N 3.34Å; I823-N825 PolarHBondContact O-N 3.29Å; N825-T828 WeakPolarHBondContact O-CB 3.4Å; N825-T828 PolarHBondContact O-N 2.92Å; N825-D829 PolarHBondContact O-N 3.35Å |
| 826 | S | 95.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.3 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | R822 I823 T828 D829 L830 V949 | R822-S826 PolarHBondContact O-N 2.78Å; I823-S826 PolarHBondContact O-N 3.45Å; I823-S826 VanDerWaalsContact O-N 3.11Å; I823-S826 PolarHBondContact O-OG 3.02Å; S826-T828 VanDerWaalsContact C-N 3.33Å; S826-T828 PolarHBondContact O-N 3.27Å; S826-D829 PolarHBondContact O-N 3.05Å; S826-L830 PolarHBondContact O-N 3.15Å; S826-V949 VanDerWaalsContact C-CG2 3.46Å; S826-V949 WeakPolarHBondContact O-CG2 3.23Å; S826-V949 WeakPolarHBondContact OG-CA 3.41Å |
| 827 | C | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 174.5 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | I801 I823 L824 L830 M831 | I801-C827 HydrophobicContact CD1-CB 3.99Å; I823-C827 PolarHBondContact O-N 2.83Å; I823-C827 PolarHBondContact O-SG 3.17Å; L824-C827 PolarHBondContact O-N 2.98Å; C827-L830 PolarHBondContact O-N 2.95Å; C827-M831 WeakPolarHBondContact O-CG 3.38Å; C827-M831 PolarHBondContact O-N 3.18Å |
| 828 | T | 94 | Very high | 93.3 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.8 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | I801 L824 N825 S826 L830 M831 K832 | I801-T828 WeakPolarHBondContact CG2-OG1 3.37Å; L824-T828 WeakPolarHBondContact O-CB 3.39Å; L824-T828 PolarHBondContact O-N 2.74Å; L824-T828 PolarHBondContact O-OG1 3.33Å; N825-T828 WeakPolarHBondContact O-CB 3.4Å; N825-T828 PolarHBondContact O-N 2.92Å; S826-T828 VanDerWaalsContact C-N 3.33Å; S826-T828 PolarHBondContact O-N 3.27Å; T828-L830 VanDerWaalsContact C-N 3.34Å; T828-L830 PolarHBondContact O-N 3.34Å; T828-M831 PolarHBondContact O-N 3.32Å; T828-K832 HydrophobicContact CG2-CD 4.3Å; T828-K832 WeakPolarHBondContact O-CG 3.5Å; T828-K832 PolarHBondContact O-N 2.94Å |
| 829 | D | 94.5 | Very high | 93.7 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 33% | 0.332 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 177.8 | -82.7 | -2.7 | 0 | 0 | 0 | 112.2 | N825 S826 K832 A833 R945 | N825-D829 PolarHBondContact O-N 3.35Å; S826-D829 PolarHBondContact O-N 3.05Å; D829-K832 PolarHBondContact O-N 3.46Å; D829-A833 PolarHBondContact O-N 2.93Å; D829-A833 VanDerWaalsContact O-N 3.09Å; D829-R945 IonicContact OD2-NH1 3.04Å; D829-R945 PolarHBondContact OD2-NH1 3.38Å |
| 830 | L | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 173.2 | 176.7 | 56.1 | 0 | 0 | 0 | 111.1 | S826 C827 T828 K832 A833 I834 L886 I910 V942 R945 A946 V949 | S826-L830 PolarHBondContact O-N 3.15Å; C827-L830 PolarHBondContact O-N 2.95Å; T828-L830 VanDerWaalsContact C-N 3.34Å; T828-L830 PolarHBondContact O-N 3.34Å; L830-K832 VanDerWaalsContact C-N 3.33Å; L830-K832 PolarHBondContact O-N 3.43Å; L830-A833 WeakPolarHBondContact O-CB 3.35Å; L830-A833 PolarHBondContact O-N 2.94Å; L830-A833 VanDerWaalsContact O-N 3.11Å; L830-I834 HydrophobicContact CD1-CD1 3.78Å; L830-I834 HydrophobicContact CD1-CG1 4.06Å; L830-I834 HydrophobicContact CG-CD1 3.81Å; L830-I834 HydrophobicContact CG-CG1 4.48Å; L830-I834 VanDerWaalsContact O-CG1 3.3Å; L830-I834 WeakPolarHBondContact O-CG1 3.46Å; L830-I834 PolarHBondContact O-N 3.08Å; L830-L886 HydrophobicContact CD2-CD2 3.66Å; L830-L886 HydrophobicContact CG-CD2 4.36Å; L830-I910 HydrophobicContact CD2-CG2 4.14Å; L830-V942 HydrophobicContact CD1-CG1 3.94Å; L830-V942 WeakPolarHBondContact CD1-O 3.41Å; L830-R945 HydrophobicContact CB-CB 3.96Å; L830-R945 HydrophobicContact CD1-CB 3.86Å; L830-A946 HydrophobicContact CD1-CB 4.11Å; L830-A946 HydrophobicContact CD2-CB 4.2Å; L830-V949 HydrophobicContact CB-CG2 4.06Å; L830-V949 HydrophobicContact CD2-CG2 3.9Å |
| 831 | M | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -37.2 | 178.7 | -72.6 | -59.3 | -178.7 | 0 | 0 | 113.2 | I794 A797 V798 I801 C827 T828 A833 I834 R835 A883 L886 V887 I910 | I794-M831 HydrophobicContact CG2-SD 4.44Å; A797-M831 HydrophobicContact CB-CE 3.93Å; A797-M831 HydrophobicContact CB-SD 4.18Å; V798-M831 HydrophobicContact CG2-CB 3.53Å; V798-M831 HydrophobicContact CG2-CG 4.38Å; I801-M831 HydrophobicContact CD1-CG 3.77Å; C827-M831 WeakPolarHBondContact O-CG 3.38Å; C827-M831 PolarHBondContact O-N 3.18Å; T828-M831 PolarHBondContact O-N 3.32Å; M831-A833 VanDerWaalsContact C-N 3.35Å; M831-A833 PolarHBondContact O-N 3.44Å; M831-I834 PolarHBondContact O-N 3.27Å; M831-I834 HydrophobicContact SD-CD1 4.34Å; M831-R835 WeakPolarHBondContact O-CB 3.38Å; M831-R835 PolarHBondContact O-N 3.44Å; M831-A883 HydrophobicContact CE-CB 3.78Å; M831-A883 WeakPolarHBondContact CE-O 3.4Å; M831-A883 HydrophobicContact SD-CB 4.02Å; M831-L886 HydrophobicContact CE-CB 3.91Å; M831-L886 HydrophobicContact CE-CD2 3.53Å; M831-L886 HydrophobicContact CE-CG 4.24Å; M831-V887 HydrophobicContact CE-CG2 3.85Å; M831-I910 HydrophobicContact CE-CD1 4.07Å; M831-I910 HydrophobicContact SD-CD1 4.41Å |
| 832 | K | 93.2 | Very high | 94.2 | Very high | 115 Ų | 115 | 33.6 Ų | 33.6 | 50% | 0.5 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 172.9 | -73.4 | 170 | -177.7 | 164.9 | 0 | 111.9 | T828 D829 L830 R835 L836 | T828-K832 HydrophobicContact CG2-CD 4.3Å; T828-K832 WeakPolarHBondContact O-CG 3.5Å; T828-K832 PolarHBondContact O-N 2.94Å; D829-K832 PolarHBondContact O-N 3.46Å; L830-K832 VanDerWaalsContact C-N 3.33Å; L830-K832 PolarHBondContact O-N 3.43Å; K832-R835 PolarHBondContact O-N 2.98Å; K832-L836 PolarHBondContact O-N 2.89Å; K832-L836 VanDerWaalsContact O-N 3.16Å |
| 833 | A | 95.8 | Very high | 94.2 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D829 L830 M831 L836 L837 T941 V942 R945 | D829-A833 PolarHBondContact O-N 2.93Å; D829-A833 VanDerWaalsContact O-N 3.09Å; L830-A833 WeakPolarHBondContact O-CB 3.35Å; L830-A833 PolarHBondContact O-N 2.94Å; L830-A833 VanDerWaalsContact O-N 3.11Å; M831-A833 VanDerWaalsContact C-N 3.35Å; M831-A833 PolarHBondContact O-N 3.44Å; A833-L836 PolarHBondContact O-N 2.91Å; A833-L837 PolarHBondContact O-N 3.3Å; A833-T941 HydrophobicContact CB-CG2 4.05Å; A833-V942 HydrophobicContact CB-CG2 3.83Å; A833-R945 HydrophobicContact CB-CG 4.11Å |
| 834 | I | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 177.7 | -64.2 | 169.9 | 0 | 0 | 0 | 110.9 | I794 L830 M831 L836 L837 V838 V879 I910 T914 V942 | I794-I834 HydrophobicContact CD1-CG2 3.69Å; I794-I834 HydrophobicContact CG1-CG2 4.17Å; L830-I834 HydrophobicContact CD1-CD1 3.78Å; L830-I834 HydrophobicContact CD1-CG1 4.06Å; L830-I834 HydrophobicContact CG-CD1 3.81Å; L830-I834 HydrophobicContact CG-CG1 4.48Å; L830-I834 VanDerWaalsContact O-CG1 3.3Å; L830-I834 WeakPolarHBondContact O-CG1 3.46Å; L830-I834 PolarHBondContact O-N 3.08Å; M831-I834 PolarHBondContact O-N 3.27Å; M831-I834 HydrophobicContact SD-CD1 4.34Å; I834-L836 VanDerWaalsContact C-N 3.32Å; I834-L836 PolarHBondContact O-N 3.07Å; I834-L837 WeakPolarHBondContact O-CB 3.4Å; I834-L837 PolarHBondContact O-N 3.47Å; I834-L837 VanDerWaalsContact O-N 3.13Å; I834-V838 HydrophobicContact CG2-CG2 4.42Å; I834-V838 WeakPolarHBondContact O-CG2 3.49Å; I834-V838 PolarHBondContact O-N 3.3Å; I834-V879 HydrophobicContact CG2-CG1 3.82Å; I834-I910 HydrophobicContact CD1-CD1 3.27Å; I834-I910 HydrophobicContact CD1-CG1 3.65Å; I834-I910 HydrophobicContact CD1-CG2 4.38Å; I834-T914 HydrophobicContact CG1-CG2 4.19Å; I834-T914 HydrophobicContact CG2-CG2 4.1Å; I834-V942 HydrophobicContact CD1-CG1 4.44Å; I834-V942 HydrophobicContact CG1-CG1 3.84Å; I834-V942 HydrophobicContact CG1-CG2 3.8Å |
| 835 | R | 93.8 | Very high | 94 | Very high | 109 Ų | 109 | 31.5 Ų | 31.5 | 41% | 0.411 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -56.2 | -47.8 | 174.1 | -172.5 | -179 | -179.4 | -152.6 | 3.2 | 111.3 | I794 E795 M831 K832 L837 V838 M839 | I794-R835 HydrophobicContact CG2-CB 3.84Å; I794-R835 HydrophobicContact CG2-CG 4.46Å; E795-R835 IonicContact OE1-CZ 3.14Å; E795-R835 IonicContact OE1-NE 2.64Å; E795-R835 PolarHBondContact OE1-NE 3.19Å; E795-R835 IonicContact OE1-NH2 2.75Å; E795-R835 PolarHBondContact OE1-NH2 2.9Å; M831-R835 WeakPolarHBondContact O-CB 3.38Å; M831-R835 PolarHBondContact O-N 3.44Å; K832-R835 PolarHBondContact O-N 2.98Å; R835-L837 VanDerWaalsContact C-N 3.31Å; R835-L837 PolarHBondContact O-N 3.37Å; R835-V838 PolarHBondContact O-N 2.97Å; R835-M839 HydrophobicContact CG-SD 4.3Å; R835-M839 VanDerWaalsContact O-CG 3.3Å; R835-M839 WeakPolarHBondContact O-CG 3.47Å; R835-M839 PolarHBondContact O-N 3.38Å |
| 836 | L | 94.4 | Very high | 93.8 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 39% | 0.393 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 177.7 | -176.4 | 62.9 | 0 | 0 | 0 | 112 | K832 A833 I834 T840 | K832-L836 PolarHBondContact O-N 2.89Å; K832-L836 VanDerWaalsContact O-N 3.16Å; A833-L836 PolarHBondContact O-N 2.91Å; I834-L836 VanDerWaalsContact C-N 3.32Å; I834-L836 PolarHBondContact O-N 3.07Å; L836-T840 WeakPolarHBondContact O-CB 3.49Å; L836-T840 PolarHBondContact O-N 3.41Å; L836-T840 PolarHBondContact O-OG1 3.18Å |
| 837 | L | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -49.1 | 176.2 | -173.9 | 151.6 | 0 | 0 | 0 | 111.7 | A833 I834 R835 M839 T840 S841 T914 L917 V918 L935 C938 V942 | A833-L837 PolarHBondContact O-N 3.3Å; I834-L837 WeakPolarHBondContact O-CB 3.4Å; I834-L837 PolarHBondContact O-N 3.47Å; I834-L837 VanDerWaalsContact O-N 3.13Å; R835-L837 VanDerWaalsContact C-N 3.31Å; R835-L837 PolarHBondContact O-N 3.37Å; L837-M839 PolarHBondContact O-N 2.86Å; L837-T840 PolarHBondContact O-N 3.28Å; L837-S841 WeakPolarHBondContact O-CB 3.44Å; L837-S841 PolarHBondContact O-N 2.88Å; L837-T914 HydrophobicContact CD1-CG2 4.43Å; L837-T914 HydrophobicContact CD2-CG2 4.42Å; L837-L917 HydrophobicContact CD2-CD2 4.02Å; L837-V918 HydrophobicContact CD1-CG2 4.09Å; L837-V918 HydrophobicContact CD2-CG2 4.36Å; L837-V918 HydrophobicContact CG-CG2 4.45Å; L837-L935 HydrophobicContact CD2-CD1 4.19Å; L837-L935 HydrophobicContact CG-CD1 3.92Å; L837-L935 WeakPolarHBondContact O-CD1 3.38Å; L837-C938 HydrophobicContact CB-CB 3.93Å; L837-C938 HydrophobicContact CD1-CB 4.34Å; L837-C938 HydrophobicContact CG-CB 4.2Å; L837-V942 HydrophobicContact CB-CG2 4.3Å; L837-V942 HydrophobicContact CD1-CB 4.41Å; L837-V942 HydrophobicContact CD1-CG2 3.83Å |
| 838 | V | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 179.2 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | M787 T790 I794 I834 R835 T840 S841 T842 V879 L917 | M787-V838 HydrophobicContact CE-CG1 4.19Å; T790-V838 HydrophobicContact CG2-CG1 4.32Å; T790-V838 HydrophobicContact CG2-CG2 4.16Å; I794-V838 HydrophobicContact CD1-CB 4.17Å; I794-V838 HydrophobicContact CD1-CG2 3.6Å; I834-V838 HydrophobicContact CG2-CG2 4.42Å; I834-V838 WeakPolarHBondContact O-CG2 3.49Å; I834-V838 PolarHBondContact O-N 3.3Å; R835-V838 PolarHBondContact O-N 2.97Å; V838-T840 PolarHBondContact O-N 3.24Å; V838-S841 WeakPolarHBondContact O-CB 3.31Å; V838-S841 PolarHBondContact O-N 2.67Å; V838-T842 PolarHBondContact O-N 2.78Å; V838-T842 PolarHBondContact O-OG1 3.35Å; V838-V879 HydrophobicContact CG2-CG1 4Å; V838-L917 HydrophobicContact CG2-CD2 4.21Å |
| 839 | M | 93.1 | Very high | 92.8 | Very high | 97 Ų | 97 | 34.5 Ų | 34.5 | 48% | 0.478 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60 | -44.8 | 174.2 | -71.5 | 178.9 | 70.9 | 0 | 0 | 112.3 | R835 L837 S841 T842 S843 | R835-M839 HydrophobicContact CG-SD 4.3Å; R835-M839 VanDerWaalsContact O-CG 3.3Å; R835-M839 WeakPolarHBondContact O-CG 3.47Å; R835-M839 PolarHBondContact O-N 3.38Å; L837-M839 PolarHBondContact O-N 2.86Å; M839-S841 VanDerWaalsContact C-N 3.33Å; M839-T842 PolarHBondContact O-N 3.03Å; M839-S843 PolarHBondContact O-N 3.49Å; M839-S843 PolarHBondContact O-OG 2.95Å |
| 840 | T | 94 | Very high | 92.3 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | L836 L837 V838 S843 L844 R934 L935 | L836-T840 WeakPolarHBondContact O-CB 3.49Å; L836-T840 PolarHBondContact O-N 3.41Å; L836-T840 PolarHBondContact O-OG1 3.18Å; L837-T840 PolarHBondContact O-N 3.28Å; V838-T840 PolarHBondContact O-N 3.24Å; T840-S843 PolarHBondContact O-N 3.43Å; T840-L844 WeakPolarHBondContact O-CB 3.48Å; T840-L844 PolarHBondContact O-N 3.23Å; T840-R934 HydrophobicContact CG2-CB 3.97Å; T840-R934 HydrophobicContact CG2-CG 3.87Å; T840-L935 HydrophobicContact CG2-CB 3.97Å; T840-L935 HydrophobicContact CG2-CD1 4.41Å |
| 841 | S | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 173.9 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | L837 V838 M839 S843 L844 Q845 S921 | L837-S841 WeakPolarHBondContact O-CB 3.44Å; L837-S841 PolarHBondContact O-N 2.88Å; V838-S841 WeakPolarHBondContact O-CB 3.31Å; V838-S841 PolarHBondContact O-N 2.67Å; M839-S841 VanDerWaalsContact C-N 3.33Å; S841-S843 VanDerWaalsContact C-N 3.35Å; S841-S843 PolarHBondContact O-N 3.35Å; S841-L844 WeakPolarHBondContact O-CB 3.48Å; S841-L844 PolarHBondContact O-N 3.08Å; S841-Q845 WeakPolarHBondContact O-CG 3.36Å; S841-Q845 PolarHBondContact O-N 2.91Å; S841-S921 PolarHBondContact OG-OG 3.09Å |
| 842 | T | 92.1 | Very high | 90.7 | Very high | 34 Ų | 34 | 45 Ų | 45 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | M787 V838 M839 Q845 K846 | M787-T842 WeakPolarHBondContact CE-OG1 3.44Å; V838-T842 PolarHBondContact O-N 2.78Å; V838-T842 PolarHBondContact O-OG1 3.35Å; M839-T842 PolarHBondContact O-N 3.03Å; T842-Q845 PolarHBondContact O-N 3.03Å; T842-K846 WeakPolarHBondContact O-CG 3.32Å; T842-K846 PolarHBondContact O-N 2.88Å; T842-K846 VanDerWaalsContact O-N 3.13Å |
| 843 | S | 92.1 | Very high | 89.6 | Confident | 49 Ų | 49 | 44.9 Ų | 44.9 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | M839 T840 S841 Q845 K846 E847 | M839-S843 PolarHBondContact O-N 3.49Å; M839-S843 PolarHBondContact O-OG 2.95Å; T840-S843 PolarHBondContact O-N 3.43Å; S841-S843 VanDerWaalsContact C-N 3.35Å; S841-S843 PolarHBondContact O-N 3.35Å; S843-Q845 VanDerWaalsContact C-N 3.34Å; S843-Q845 PolarHBondContact O-N 3.31Å; S843-K846 PolarHBondContact O-N 2.85Å; S843-E847 PolarHBondContact O-N 3.23Å; S843-E847 VanDerWaalsContact O-N 3.09Å |
| 844 | L | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 174.7 | 179 | 60.9 | 0 | 0 | 0 | 111.5 | T840 S841 K846 E847 I848 A925 S929 H931 L932 L935 | T840-L844 WeakPolarHBondContact O-CB 3.48Å; T840-L844 PolarHBondContact O-N 3.23Å; S841-L844 WeakPolarHBondContact O-CB 3.48Å; S841-L844 PolarHBondContact O-N 3.08Å; L844-K846 VanDerWaalsContact C-N 3.31Å; L844-K846 PolarHBondContact O-N 2.92Å; L844-E847 WeakPolarHBondContact O-CB 3.3Å; L844-E847 PolarHBondContact O-N 2.72Å; L844-I848 HydrophobicContact CD1-CD1 4.32Å; L844-I848 HydrophobicContact CD1-CG1 4.34Å; L844-I848 HydrophobicContact CG-CD1 3.95Å; L844-I848 HydrophobicContact CG-CG1 4.43Å; L844-I848 VanDerWaalsContact O-CG1 3.26Å; L844-I848 WeakPolarHBondContact O-CG1 3.37Å; L844-I848 PolarHBondContact O-N 3.01Å; L844-A925 HydrophobicContact CD1-CB 4.03Å; L844-A925 HydrophobicContact CD2-CB 4.23Å; L844-A925 HydrophobicContact CG-CB 4.46Å; L844-S929 WeakPolarHBondContact CD1-OG 2.84Å; L844-H931 HydrophobicContact CB-CB 3.93Å; L844-H931 HydrophobicContact CD1-CB 3.93Å; L844-L932 HydrophobicContact CD1-CB 4.2Å; L844-L932 HydrophobicContact CD2-CB 4.19Å; L844-L932 HydrophobicContact CD2-CD1 3.94Å; L844-L935 HydrophobicContact CD2-CD2 3.65Å |
| 845 | Q | 90.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.2 | -67.1 | -55.4 | -26.6 | 0 | 0 | 112 | S841 T842 S843 I848 V849 L872 S921 | S841-Q845 WeakPolarHBondContact O-CG 3.36Å; S841-Q845 PolarHBondContact O-N 2.91Å; T842-Q845 PolarHBondContact O-N 3.03Å; S843-Q845 VanDerWaalsContact C-N 3.34Å; S843-Q845 PolarHBondContact O-N 3.31Å; Q845-I848 PolarHBondContact O-N 3.15Å; Q845-V849 VanDerWaalsContact O-CG2 3.29Å; Q845-V849 WeakPolarHBondContact O-CG2 3.46Å; Q845-V849 PolarHBondContact O-N 2.99Å; Q845-L872 HydrophobicContact CG-CD2 3.92Å; Q845-L872 VanDerWaalsContact NE2-CD1 3.31Å; Q845-S921 PolarHBondContact NE2-OG 3.44Å |
| 846 | K | 88.6 | Confident | 86.6 | Confident | 105 Ų | 105 | 48.1 Ų | 48.1 | 46% | 0.457 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 173.8 | -69 | 176.6 | -179.2 | -179.6 | 0 | 111.9 | T842 S843 L844 I848 V849 E850 | T842-K846 WeakPolarHBondContact O-CG 3.32Å; T842-K846 PolarHBondContact O-N 2.88Å; T842-K846 VanDerWaalsContact O-N 3.13Å; S843-K846 PolarHBondContact O-N 2.85Å; L844-K846 VanDerWaalsContact C-N 3.31Å; L844-K846 PolarHBondContact O-N 2.92Å; K846-I848 PolarHBondContact O-N 3.33Å; K846-V849 PolarHBondContact O-N 3.26Å; K846-E850 WeakPolarHBondContact O-CB 3.49Å; K846-E850 VanDerWaalsContact O-CG 3.28Å; K846-E850 WeakPolarHBondContact O-CG 3.22Å; K846-E850 PolarHBondContact O-N 3.48Å |
| 847 | E | 90.4 | Very high | 85.8 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176 | -176.6 | -172.3 | 144 | 0 | 0 | 112.3 | S843 L844 V849 E850 S851 S929 H931 | S843-E847 PolarHBondContact O-N 3.23Å; S843-E847 VanDerWaalsContact O-N 3.09Å; L844-E847 WeakPolarHBondContact O-CB 3.3Å; L844-E847 PolarHBondContact O-N 2.72Å; E847-V849 VanDerWaalsContact C-N 3.35Å; E847-V849 PolarHBondContact O-N 2.92Å; E847-E850 PolarHBondContact O-N 2.88Å; E847-S851 WeakPolarHBondContact O-CB 3.44Å; E847-S851 PolarHBondContact O-N 3.44Å; E847-S851 PolarHBondContact O-OG 3.12Å; E847-S929 WeakPolarHBondContact OE1-CB 3.23Å; E847-S929 PolarHBondContact OE1-OG 3.16Å; E847-S929 PolarHBondContact OE2-OG 2.97Å; E847-H931 IonicContact OE2-CE1 3.86Å; E847-H931 IonicContact OE2-CG 2.72Å; E847-H931 IonicContact OE2-ND1 3.9Å; E847-H931 PolarHBondContact OE2-ND1 3.09Å |
| 848 | I | 87.2 | Confident | 84.9 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 177.9 | -69.4 | 167 | 0 | 0 | 0 | 110.7 | L844 Q845 K846 S851 G852 F861 W868 K924 A925 | L844-I848 HydrophobicContact CD1-CD1 4.32Å; L844-I848 HydrophobicContact CD1-CG1 4.34Å; L844-I848 HydrophobicContact CG-CD1 3.95Å; L844-I848 HydrophobicContact CG-CG1 4.43Å; L844-I848 VanDerWaalsContact O-CG1 3.26Å; L844-I848 WeakPolarHBondContact O-CG1 3.37Å; L844-I848 PolarHBondContact O-N 3.01Å; Q845-I848 PolarHBondContact O-N 3.15Å; K846-I848 PolarHBondContact O-N 3.33Å; I848-S851 PolarHBondContact O-OG 3.19Å; I848-G852 WeakPolarHBondContact O-CA 3.5Å; I848-G852 PolarHBondContact O-N 3.49Å; I848-F861 HydrophobicContact CG2-CE1 4.02Å; I848-F861 HydrophobicContact CG2-CZ 4Å; I848-W868 HydrophobicContact CD1-CZ2 4.29Å; I848-W868 HydrophobicContact CG2-CH2 3.95Å; I848-W868 HydrophobicContact CG2-CZ2 4.43Å; I848-K924 HydrophobicContact CD1-CB 4.48Å; I848-K924 HydrophobicContact CG2-CB 3.77Å; I848-A925 HydrophobicContact CD1-CB 4.01Å; I848-A925 HydrophobicContact CG1-CB 4.33Å |
| 849 | V | 86.6 | Confident | 84 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.4 | -46.6 | 178.5 | 171 | 0 | 0 | 0 | 0 | 110.6 | Q845 K846 E847 S851 G852 R853 Q858 F861 Y862 | Q845-V849 VanDerWaalsContact O-CG2 3.29Å; Q845-V849 WeakPolarHBondContact O-CG2 3.46Å; Q845-V849 PolarHBondContact O-N 2.99Å; K846-V849 PolarHBondContact O-N 3.26Å; E847-V849 VanDerWaalsContact C-N 3.35Å; E847-V849 PolarHBondContact O-N 2.92Å; V849-S851 VanDerWaalsContact C-N 3.33Å; V849-S851 PolarHBondContact O-N 3.44Å; V849-G852 PolarHBondContact O-N 3.42Å; V849-R853 HydrophobicContact CG1-CB 4.47Å; V849-R853 WeakPolarHBondContact O-CB 3.37Å; V849-R853 WeakPolarHBondContact O-CD 3.43Å; V849-R853 WeakPolarHBondContact O-CG 3.44Å; V849-R853 PolarHBondContact O-N 3.47Å; V849-Q858 HydrophobicContact CG1-CB 3.83Å; V849-Q858 HydrophobicContact CG1-CG 3.81Å; V849-Q858 HydrophobicContact CG2-CG 4.42Å; V849-F861 HydrophobicContact CB-CD1 4.4Å; V849-F861 HydrophobicContact CG2-CD1 3.74Å; V849-F861 HydrophobicContact CG2-CE1 3.99Å; V849-Y862 HydrophobicContact CG2-CE1 4.01Å; V849-Y862 HydrophobicContact CG2-CE2 3.79Å; V849-Y862 VanDerWaalsContact CG2-CZ 3.44Å; V849-Y862 WeakPolarHBondContact CG2-OH 3.46Å |
| 850 | E | 83.8 | Confident | 83.1 | Confident | 142 Ų | 142 | 55.3 Ų | 55.3 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.2 | -39.6 | -179 | -75.9 | 173 | -176 | 0 | 0 | 112.6 | K846 E847 | K846-E850 WeakPolarHBondContact O-CB 3.49Å; K846-E850 VanDerWaalsContact O-CG 3.28Å; K846-E850 WeakPolarHBondContact O-CG 3.22Å; K846-E850 PolarHBondContact O-N 3.48Å; E847-E850 PolarHBondContact O-N 2.88Å |
| 851 | S | 81.4 | Confident | 82.5 | Confident | 94 Ų | 94 | 55.8 Ų | 55.8 | 66% | 0.657 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -78.2 | -30.8 | 177.4 | 58 | 0 | 0 | 0 | 0 | 113.7 | E847 I848 V849 | E847-S851 WeakPolarHBondContact O-CB 3.44Å; E847-S851 PolarHBondContact O-N 3.44Å; E847-S851 PolarHBondContact O-OG 3.12Å; I848-S851 PolarHBondContact O-OG 3.19Å; V849-S851 VanDerWaalsContact C-N 3.33Å; V849-S851 PolarHBondContact O-N 3.44Å |
| 852 | G | 74.5 | Confident | 81.9 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -102.5 | -15.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | I848 V849 F861 | I848-G852 WeakPolarHBondContact O-CA 3.5Å; I848-G852 PolarHBondContact O-N 3.49Å; V849-G852 PolarHBondContact O-N 3.42Å; G852-F861 VanDerWaalsContact C-CE2 3.46Å; G852-F861 WeakPolarHBondContact O-CE2 3.45Å |
| 853 | R | 70.3 | Confident | 81 | Confident | 112 Ų | 112 | 54.8 Ų | 54.8 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | trans | -78.1 | -25.5 | -171.7 | 71.8 | -168.9 | -178.4 | 103.7 | -5.3 | 115.4 | V849 A855 A856 F861 | V849-R853 HydrophobicContact CG1-CB 4.47Å; V849-R853 WeakPolarHBondContact O-CB 3.37Å; V849-R853 WeakPolarHBondContact O-CD 3.43Å; V849-R853 WeakPolarHBondContact O-CG 3.44Å; V849-R853 PolarHBondContact O-N 3.47Å; R853-A855 PolarHBondContact O-N 2.85Å; R853-A856 PolarHBondContact NH1-O 2.83Å; R853-A856 VanDerWaalsContact O-CB 3.25Å; R853-A856 WeakPolarHBondContact O-CB 3.04Å; R853-A856 PolarHBondContact O-N 3.24Å; R853-F861 HydrophobicContact CB-CB 4.18Å; R853-F861 HydrophobicContact CB-CD2 4.14Å; R853-F861 HydrophobicContact CB-CG 4.36Å | ||
| 854 | G | 78 | Confident | 80.1 | Confident | 66 Ų | 66 | 59.7 Ų | 59.7 | 68% | 0.68 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | -124.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A856 | G854-A856 VanDerWaalsContact C-N 3.34Š|
| 855 | A | 70.3 | Confident | 79.4 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 93% | 0.926 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R853 | R853-A855 PolarHBondContact O-N 2.85Š|
| 856 | A | 73.7 | Confident | 78.5 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -77.2 | 154.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R853 G854 E860 | R853-A856 PolarHBondContact NH1-O 2.83Å; R853-A856 VanDerWaalsContact O-CB 3.25Å; R853-A856 WeakPolarHBondContact O-CB 3.04Å; R853-A856 PolarHBondContact O-N 3.24Å; G854-A856 VanDerWaalsContact C-N 3.34Å; A856-E860 WeakPolarHBondContact CA-OE2 3.48Å; A856-E860 HydrophobicContact CB-CB 4.13Å; A856-E860 WeakPolarHBondContact CB-OE2 3.5Å |
| 857 | T | 78.1 | Confident | 77.8 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | trans | -71.3 | 158.3 | 171.2 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | Q859 E860 F861 | T857-Q859 PolarHBondContact O-N 3.47Å; T857-E860 WeakPolarHBondContact CG2-OE1 3.5Å; T857-E860 PolarHBondContact N-OE2 3.24Å; T857-E860 VanDerWaalsContact N-OE2 3.17Å; T857-E860 PolarHBondContact O-N 3.34Å; T857-E860 WeakPolarHBondContact OG1-CB 3.38Å; T857-E860 WeakPolarHBondContact OG1-CG 3.36Å; T857-E860 PolarHBondContact OG1-N 3.06Å; T857-E860 PolarHBondContact OG1-OE1 3.42Å; T857-F861 PolarHBondContact O-N 2.93Å | ||
| 858 | Q | 76.6 | Confident | 77.4 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 30% | 0.304 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57 | -37.3 | 176.1 | 169.1 | 164.1 | -11 | 0 | 0 | 111.9 | D784 V849 F861 Y862 | D784-Q858 PolarHBondContact OD2-NE2 3.16Å; V849-Q858 HydrophobicContact CG1-CB 3.83Å; V849-Q858 HydrophobicContact CG1-CG 3.81Å; V849-Q858 HydrophobicContact CG2-CG 4.42Å; Q858-F861 PolarHBondContact O-N 2.85Å; Q858-Y862 HydrophobicContact CG-CD2 4.06Å; Q858-Y862 HydrophobicContact CG-CE2 3.71Å; Q858-Y862 WeakPolarHBondContact O-CD2 3.26Å; Q858-Y862 PolarHBondContact O-N 3.46Å |
| 859 | Q | 76.3 | Confident | 77.3 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 178.2 | -66.6 | 176.8 | -9.9 | 0 | 0 | 111.7 | T857 F861 Y862 A863 | T857-Q859 PolarHBondContact O-N 3.47Å; Q859-F861 VanDerWaalsContact C-N 3.29Å; Q859-F861 PolarHBondContact O-N 3.33Å; Q859-Y862 PolarHBondContact O-N 3.47Å; Q859-A863 WeakPolarHBondContact O-CB 3.3Å; Q859-A863 PolarHBondContact O-N 3.23Å |
| 860 | E | 74.9 | Confident | 77.1 | Confident | 88 Ų | 88 | 69.2 Ų | 69.2 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 174.8 | -75.2 | 158.7 | -142 | 0 | 0 | 112.8 | A856 T857 A863 K864 | A856-E860 WeakPolarHBondContact CA-OE2 3.48Å; A856-E860 HydrophobicContact CB-CB 4.13Å; A856-E860 WeakPolarHBondContact CB-OE2 3.5Å; T857-E860 WeakPolarHBondContact CG2-OE1 3.5Å; T857-E860 PolarHBondContact N-OE2 3.24Å; T857-E860 VanDerWaalsContact N-OE2 3.17Å; T857-E860 PolarHBondContact O-N 3.34Å; T857-E860 WeakPolarHBondContact OG1-CB 3.38Å; T857-E860 WeakPolarHBondContact OG1-CG 3.36Å; T857-E860 PolarHBondContact OG1-N 3.06Å; T857-E860 PolarHBondContact OG1-OE1 3.42Å; E860-A863 PolarHBondContact O-N 3.23Å; E860-K864 WeakPolarHBondContact O-CB 3.39Å; E860-K864 VanDerWaalsContact O-CG 3.26Å; E860-K864 WeakPolarHBondContact O-CG 3.43Å; E860-K864 PolarHBondContact O-N 2.91Å |
| 861 | F | 81.1 | Confident | 77.2 | Confident | 21 Ų | 21 | 64 Ų | 64 | 9% | 0.092 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 177.3 | 178.2 | -94.5 | 0 | 0 | 0 | 111.8 | I848 V849 G852 R853 T857 Q858 Q859 N865 W868 | I848-F861 HydrophobicContact CG2-CE1 4.02Å; I848-F861 HydrophobicContact CG2-CZ 4Å; V849-F861 HydrophobicContact CB-CD1 4.4Å; V849-F861 HydrophobicContact CG2-CD1 3.74Å; V849-F861 HydrophobicContact CG2-CE1 3.99Å; G852-F861 VanDerWaalsContact C-CE2 3.46Å; G852-F861 WeakPolarHBondContact O-CE2 3.45Å; R853-F861 HydrophobicContact CB-CB 4.18Å; R853-F861 HydrophobicContact CB-CD2 4.14Å; R853-F861 HydrophobicContact CB-CG 4.36Å; T857-F861 PolarHBondContact O-N 2.93Å; Q858-F861 PolarHBondContact O-N 2.85Å; Q859-F861 VanDerWaalsContact C-N 3.29Å; Q859-F861 PolarHBondContact O-N 3.33Å; F861-N865 PolarHBondContact O-N 2.96Å; F861-N865 PolarHBondContact O-ND2 3.43Å; F861-W868 HydrophobicContact CE1-CH2 4.37Å; F861-W868 AromaticContact CE1-CZ3 3.94Å; F861-W868 HydrophobicContact CE1-CZ3 3.94Å |
| 862 | Y | 81.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 175.5 | -72.4 | -56.2 | 0 | 0 | 0 | 112.2 | V783 V849 Q858 Q859 K864 N865 S866 W868 T869 | V783-Y862 HydrophobicContact CB-CE2 4.31Å; V783-Y862 HydrophobicContact CG1-CE1 4.29Å; V783-Y862 HydrophobicContact CG1-CE2 4.45Å; V783-Y862 HydrophobicContact CG2-CD1 4.09Å; V783-Y862 HydrophobicContact CG2-CD2 4.3Å; V783-Y862 HydrophobicContact CG2-CE1 4.23Å; V783-Y862 HydrophobicContact CG2-CE2 4.44Å; V783-Y862 HydrophobicContact CG2-CG 4.12Å; V849-Y862 HydrophobicContact CG2-CE1 4.01Å; V849-Y862 HydrophobicContact CG2-CE2 3.79Å; V849-Y862 VanDerWaalsContact CG2-CZ 3.44Å; V849-Y862 WeakPolarHBondContact CG2-OH 3.46Å; Q858-Y862 HydrophobicContact CG-CD2 4.06Å; Q858-Y862 HydrophobicContact CG-CE2 3.71Å; Q858-Y862 WeakPolarHBondContact O-CD2 3.26Å; Q858-Y862 PolarHBondContact O-N 3.46Å; Q859-Y862 PolarHBondContact O-N 3.47Å; Y862-K864 VanDerWaalsContact C-N 3.34Å; Y862-K864 PolarHBondContact O-N 2.8Å; Y862-N865 CarbonylContact O-C 3.48Å; Y862-N865 VanDerWaalsContact O-C 3.22Å; Y862-N865 PolarHBondContact O-N 3.14Å; Y862-S866 PolarHBondContact O-N 3Å; Y862-W868 HydrophobicContact CD1-CE3 4.38Å; Y862-W868 HydrophobicContact CD1-CH2 4.34Å; Y862-W868 AromaticContact CD1-CZ3 3.62Å; Y862-W868 HydrophobicContact CD1-CZ3 3.62Å; Y862-W868 AromaticContact CE1-CH2 3.83Å; Y862-W868 HydrophobicContact CE1-CH2 3.83Å; Y862-W868 AromaticContact CE1-CZ3 3.59Å; Y862-W868 HydrophobicContact CE1-CZ3 3.59Å; Y862-T869 WeakPolarHBondContact CA-OG1 3.41Å; Y862-T869 HydrophobicContact CD1-CG2 4.46Å; Y862-T869 WeakPolarHBondContact CD1-OG1 3.4Å; Y862-T869 PolarHBondContact O-OG1 2.84Å; Y862-T869 VanDerWaalsContact O-OG1 3.05Å |
| 863 | A | 73.6 | Confident | 78.2 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 12% | 0.116 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q776 Q859 E860 N865 S866 | Q776-A863 HydrophobicContact CB-CB 4.19Å; Q776-A863 WeakPolarHBondContact O-CB 3.46Å; Q859-A863 WeakPolarHBondContact O-CB 3.3Å; Q859-A863 PolarHBondContact O-N 3.23Å; E860-A863 PolarHBondContact O-N 3.23Å; A863-N865 PolarHBondContact O-N 3.31Å; A863-S866 PolarHBondContact O-N 3Å |
| 864 | K | 72.8 | Confident | 79 | Confident | 151 Ų | 151 | 55.6 Ų | 55.6 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.4 | -22.1 | 175.6 | -75.2 | 174 | -177.2 | 175.7 | 0 | 113.3 | E860 Y862 | E860-K864 WeakPolarHBondContact O-CB 3.39Å; E860-K864 VanDerWaalsContact O-CG 3.26Å; E860-K864 WeakPolarHBondContact O-CG 3.43Å; E860-K864 PolarHBondContact O-N 2.91Å; Y862-K864 VanDerWaalsContact C-N 3.34Å; Y862-K864 PolarHBondContact O-N 2.8Å |
| 865 | N | 76.6 | Confident | 79.6 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 38.5 | 179.6 | -65.3 | -86.9 | 0 | 0 | 0 | 111.5 | F861 Y862 A863 R867 W868 T869 K924 | F861-N865 PolarHBondContact O-N 2.96Å; F861-N865 PolarHBondContact O-ND2 3.43Å; Y862-N865 CarbonylContact O-C 3.48Å; Y862-N865 VanDerWaalsContact O-C 3.22Å; Y862-N865 PolarHBondContact O-N 3.14Å; A863-N865 PolarHBondContact O-N 3.31Å; N865-R867 PolarHBondContact O-N 2.74Å; N865-R867 VanDerWaalsContact O-N 3.17Å; N865-W868 HydrophobicContact CB-CB 4.46Å; N865-W868 HydrophobicContact CB-CE3 3.84Å; N865-W868 WeakPolarHBondContact O-CB 3.4Å; N865-W868 PolarHBondContact O-N 2.82Å; N865-T869 PolarHBondContact O-N 2.99Å; N865-T869 PolarHBondContact O-OG1 3.17Å; N865-K924 WeakPolarHBondContact OD1-CE 3.39Å; N865-K924 PolarHBondContact OD1-NZ 3.35Å |
| 866 | S | 71.5 | Confident | 80.7 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 21% | 0.21 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -47.4 | -48.7 | -168.5 | 58.6 | 0 | 0 | 0 | 0 | 115.2 | Y862 A863 W868 T869 E870 | Y862-S866 PolarHBondContact O-N 3Å; A863-S866 PolarHBondContact O-N 3Å; S866-W868 VanDerWaalsContact C-N 3.33Å; S866-W868 PolarHBondContact O-N 3.25Å; S866-T869 WeakPolarHBondContact O-CB 3.33Å; S866-T869 PolarHBondContact O-N 2.85Å; S866-E870 WeakPolarHBondContact O-CG 3.16Å; S866-E870 PolarHBondContact O-N 3.48Å |
| 867 | R | 73.6 | Confident | 81.5 | Confident | 197 Ų | 197 | 51.3 Ų | 51.3 | 74% | 0.743 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -64 | -36.2 | -179.8 | -62.8 | -176.2 | 79.6 | 176.5 | 6.3 | 113.4 | N865 G871 | N865-R867 PolarHBondContact O-N 2.74Å; N865-R867 VanDerWaalsContact O-N 3.17Å; R867-G871 PolarHBondContact O-N 2.94Å |
| 868 | W | 83.9 | Confident | 82.2 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 9% | 0.087 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.5 | -42.4 | 175.9 | 168.5 | 68.9 | 0 | 0 | 0 | 110.5 | I848 F861 Y862 N865 S866 E870 G871 L872 A920 K924 | I848-W868 HydrophobicContact CD1-CZ2 4.29Å; I848-W868 HydrophobicContact CG2-CH2 3.95Å; I848-W868 HydrophobicContact CG2-CZ2 4.43Å; F861-W868 HydrophobicContact CE1-CH2 4.37Å; F861-W868 AromaticContact CE1-CZ3 3.94Å; F861-W868 HydrophobicContact CE1-CZ3 3.94Å; Y862-W868 HydrophobicContact CD1-CE3 4.38Å; Y862-W868 HydrophobicContact CD1-CH2 4.34Å; Y862-W868 AromaticContact CD1-CZ3 3.62Å; Y862-W868 HydrophobicContact CD1-CZ3 3.62Å; Y862-W868 AromaticContact CE1-CH2 3.83Å; Y862-W868 HydrophobicContact CE1-CH2 3.83Å; Y862-W868 AromaticContact CE1-CZ3 3.59Å; Y862-W868 HydrophobicContact CE1-CZ3 3.59Å; N865-W868 HydrophobicContact CB-CB 4.46Å; N865-W868 HydrophobicContact CB-CE3 3.84Å; N865-W868 WeakPolarHBondContact O-CB 3.4Å; N865-W868 PolarHBondContact O-N 2.82Å; S866-W868 VanDerWaalsContact C-N 3.33Å; S866-W868 PolarHBondContact O-N 3.25Å; W868-E870 PolarHBondContact O-N 2.93Å; W868-G871 PolarHBondContact O-N 2.98Å; W868-L872 HydrophobicContact CZ2-CD2 4.47Å; W868-L872 WeakPolarHBondContact O-CB 3.49Å; W868-L872 PolarHBondContact O-N 3.01Å; W868-A920 PolarHBondContact NE1-O 2.93Å; W868-K924 HydrophobicContact CD2-CB 4.43Å; W868-K924 HydrophobicContact CD2-CG 3.67Å; W868-K924 HydrophobicContact CE3-CG 4.12Å; W868-K924 HydrophobicContact CG-CG 4Å; W868-K924 HydrophobicContact CH2-CB 4.22Å; W868-K924 HydrophobicContact CH2-CG 4.37Å; W868-K924 HydrophobicContact CZ2-CB 3.81Å; W868-K924 HydrophobicContact CZ2-CG 3.98Å; W868-K924 HydrophobicContact CZ3-CG 4.44Å |
| 869 | T | 84.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 174.8 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | L779 V783 Y862 N865 S866 L872 I873 | L779-T869 HydrophobicContact CB-CG2 4.15Å; L779-T869 HydrophobicContact CD2-CG2 4.39Å; V783-T869 HydrophobicContact CG2-CG2 3.48Å; V783-T869 VanDerWaalsContact CG2-CG2 3.48Å; Y862-T869 WeakPolarHBondContact CA-OG1 3.41Å; Y862-T869 HydrophobicContact CD1-CG2 4.46Å; Y862-T869 WeakPolarHBondContact CD1-OG1 3.4Å; Y862-T869 PolarHBondContact O-OG1 2.84Å; Y862-T869 VanDerWaalsContact O-OG1 3.05Å; N865-T869 PolarHBondContact O-N 2.99Å; N865-T869 PolarHBondContact O-OG1 3.17Å; S866-T869 WeakPolarHBondContact O-CB 3.33Å; S866-T869 PolarHBondContact O-N 2.85Å; T869-L872 PolarHBondContact O-N 2.93Å; T869-I873 HydrophobicContact CG2-CD1 3.86Å; T869-I873 VanDerWaalsContact O-CG1 3.28Å; T869-I873 WeakPolarHBondContact O-CG1 3.48Å; T869-I873 PolarHBondContact O-N 3Å |
| 870 | E | 83.1 | Confident | 83.9 | Confident | 80 Ų | 80 | 41.7 Ų | 41.7 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 175.1 | -74.8 | 168.4 | -177.4 | 0 | 0 | 112.1 | L779 S866 W868 L872 I873 S874 | L779-E870 HydrophobicContact CD2-CG 3.94Å; S866-E870 WeakPolarHBondContact O-CG 3.16Å; S866-E870 PolarHBondContact O-N 3.48Å; W868-E870 PolarHBondContact O-N 2.93Å; E870-L872 VanDerWaalsContact C-N 3.29Å; E870-L872 PolarHBondContact O-N 3.4Å; E870-I873 PolarHBondContact O-N 2.96Å; E870-S874 WeakPolarHBondContact O-CB 3.41Å; E870-S874 PolarHBondContact O-N 3.28Å |
| 871 | G | 84.6 | Confident | 84.8 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 34% | 0.34 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.2 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | R867 W868 A875 | R867-G871 PolarHBondContact O-N 2.94Å; W868-G871 PolarHBondContact O-N 2.98Å; G871-A875 WeakPolarHBondContact O-CB 3.48Å; G871-A875 PolarHBondContact O-N 2.8Å |
| 872 | L | 88.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.6 | -46.4 | 176 | -177.6 | 67.1 | 0 | 0 | 0 | 112.2 | V783 Q845 W868 T869 E870 A875 S876 L917 A920 S921 | V783-L872 HydrophobicContact CG1-CD2 3.72Å; Q845-L872 HydrophobicContact CG-CD2 3.92Å; Q845-L872 VanDerWaalsContact NE2-CD1 3.31Å; W868-L872 HydrophobicContact CZ2-CD2 4.47Å; W868-L872 WeakPolarHBondContact O-CB 3.49Å; W868-L872 PolarHBondContact O-N 3.01Å; T869-L872 PolarHBondContact O-N 2.93Å; E870-L872 VanDerWaalsContact C-N 3.29Å; E870-L872 PolarHBondContact O-N 3.4Å; L872-A875 PolarHBondContact O-N 3.17Å; L872-S876 PolarHBondContact O-N 3.03Å; L872-L917 HydrophobicContact CD1-CD1 3.9Å; L872-A920 HydrophobicContact CD1-CB 4.25Å; L872-S921 WeakPolarHBondContact CD1-OG 3.34Å |
| 873 | I | 88.1 | Confident | 86 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 177.3 | -69.8 | 166.2 | 0 | 0 | 0 | 110.3 | L779 M782 V783 E786 T869 E870 S876 K877 | L779-I873 HydrophobicContact CD2-CD1 4.22Å; M782-I873 HydrophobicContact CB-CD1 3.9Å; M782-I873 HydrophobicContact CG-CD1 4.01Å; M782-I873 HydrophobicContact SD-CD1 4.18Å; M782-I873 HydrophobicContact SD-CG2 4.43Å; V783-I873 HydrophobicContact CG2-CD1 3.92Å; V783-I873 HydrophobicContact CG2-CG1 3.92Å; E786-I873 HydrophobicContact CB-CG2 4.3Å; E786-I873 HydrophobicContact CG-CG2 4.04Å; T869-I873 HydrophobicContact CG2-CD1 3.86Å; T869-I873 VanDerWaalsContact O-CG1 3.28Å; T869-I873 WeakPolarHBondContact O-CG1 3.48Å; T869-I873 PolarHBondContact O-N 3Å; E870-I873 PolarHBondContact O-N 2.96Å; I873-S876 PolarHBondContact O-N 3.36Å; I873-K877 HydrophobicContact CG2-CD 4.23Å; I873-K877 WeakPolarHBondContact O-CG 3.26Å; I873-K877 PolarHBondContact O-N 3.37Å |
| 874 | S | 88.4 | Confident | 87 | Confident | 65 Ų | 65 | 44.8 Ų | 44.8 | 46% | 0.455 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 178.6 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | E870 S876 K877 A878 | E870-S874 WeakPolarHBondContact O-CB 3.41Å; E870-S874 PolarHBondContact O-N 3.28Å; S874-S876 VanDerWaalsContact C-N 3.34Å; S874-S876 PolarHBondContact O-N 3.05Å; S874-K877 PolarHBondContact O-N 2.97Å; S874-A878 PolarHBondContact O-N 2.83Å |
| 875 | A | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65 | -37.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G871 L872 A878 V879 Q916 L917 A920 | G871-A875 WeakPolarHBondContact O-CB 3.48Å; G871-A875 PolarHBondContact O-N 2.8Å; L872-A875 PolarHBondContact O-N 3.17Å; A875-A878 PolarHBondContact O-N 3.49Å; A875-V879 WeakPolarHBondContact O-CG2 3.36Å; A875-V879 PolarHBondContact O-N 2.84Å; A875-Q916 HydrophobicContact CB-CB 4.47Å; A875-Q916 HydrophobicContact CB-CG 4Å; A875-L917 HydrophobicContact CB-CB 4.12Å; A875-L917 HydrophobicContact CB-CD1 4.11Å; A875-A920 HydrophobicContact CB-CB 4.24Å |
| 876 | S | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 174.7 | -167.7 | 0 | 0 | 0 | 0 | 111.7 | M787 T790 L872 I873 S874 A878 V879 G880 | M787-S876 PolarHBondContact SD-OG 2.98Å; T790-S876 WeakPolarHBondContact CB-OG 3.41Å; T790-S876 WeakPolarHBondContact CG2-O 3.49Å; T790-S876 PolarHBondContact OG1-O 3.21Å; T790-S876 VanDerWaalsContact OG1-O 3.06Å; T790-S876 PolarHBondContact OG1-OG 2.94Å; L872-S876 PolarHBondContact O-N 3.03Å; I873-S876 PolarHBondContact O-N 3.36Å; S874-S876 VanDerWaalsContact C-N 3.34Å; S874-S876 PolarHBondContact O-N 3.05Å; S876-A878 VanDerWaalsContact C-N 3.32Å; S876-A878 PolarHBondContact O-N 3.04Å; S876-V879 PolarHBondContact O-N 3.41Å; S876-G880 PolarHBondContact O-N 2.91Å |
| 877 | K | 91.8 | Very high | 89.9 | Confident | 98 Ų | 98 | 37.3 Ų | 37.3 | 43% | 0.426 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56.5 | -45.2 | 176.1 | -77.7 | 174.7 | 179.5 | -179 | 0 | 112.3 | E786 I873 S874 V879 G880 W881 | E786-K877 HydrophobicContact CG-CD 4.45Å; E786-K877 HydrophobicContact CG-CG 3.69Å; E786-K877 WeakPolarHBondContact OE1-CG 3.42Å; E786-K877 WeakPolarHBondContact OE2-CE 3.48Å; E786-K877 IonicContact OE2-NZ 2.72Å; I873-K877 HydrophobicContact CG2-CD 4.23Å; I873-K877 WeakPolarHBondContact O-CG 3.26Å; I873-K877 PolarHBondContact O-N 3.37Å; S874-K877 PolarHBondContact O-N 2.97Å; K877-V879 VanDerWaalsContact C-N 3.31Å; K877-V879 PolarHBondContact O-N 2.96Å; K877-G880 PolarHBondContact O-N 3.27Å; K877-W881 WeakPolarHBondContact O-CB 3.37Å; K877-W881 PolarHBondContact O-N 3.38Å |
| 878 | A | 92.1 | Very high | 90.8 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 21% | 0.207 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S874 A875 S876 W881 G882 | S874-A878 PolarHBondContact O-N 2.83Å; A875-A878 PolarHBondContact O-N 3.49Å; S876-A878 VanDerWaalsContact C-N 3.32Å; S876-A878 PolarHBondContact O-N 3.04Å; A878-W881 PolarHBondContact O-N 3.3Å; A878-G882 PolarHBondContact O-N 3.34Å |
| 879 | V | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | T790 I794 I834 V838 A875 S876 K877 G882 A883 S913 T914 L917 | T790-V879 HydrophobicContact CG2-CB 4.17Å; T790-V879 HydrophobicContact CG2-CG1 4.04Å; I794-V879 HydrophobicContact CD1-CG1 4.4Å; I834-V879 HydrophobicContact CG2-CG1 3.82Å; V838-V879 HydrophobicContact CG2-CG1 4Å; A875-V879 WeakPolarHBondContact O-CG2 3.36Å; A875-V879 PolarHBondContact O-N 2.84Å; S876-V879 PolarHBondContact O-N 3.41Å; K877-V879 VanDerWaalsContact C-N 3.31Å; K877-V879 PolarHBondContact O-N 2.96Å; V879-G882 PolarHBondContact O-N 2.96Å; V879-A883 PolarHBondContact O-N 3.18Å; V879-S913 VanDerWaalsContact CG2-C 3.47Å; V879-S913 WeakPolarHBondContact CG2-O 3.5Å; V879-T914 HydrophobicContact CG1-CG2 4Å; V879-T914 HydrophobicContact CG2-CG2 3.91Å; V879-L917 HydrophobicContact CG2-CB 4.12Å; V879-L917 HydrophobicContact CG2-CD2 4.09Å |
| 880 | G | 93.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | S876 K877 A883 T884 | S876-G880 PolarHBondContact O-N 2.91Å; K877-G880 PolarHBondContact O-N 3.27Å; G880-A883 WeakPolarHBondContact O-CB 3.25Å; G880-A883 PolarHBondContact O-N 3.33Å; G880-T884 PolarHBondContact O-N 3.33Å; G880-T884 PolarHBondContact O-OG1 3.49Å |
| 881 | W | 93.4 | Very high | 92.1 | Very high | 142 Ų | 142 | 29.3 Ų | 29.3 | 54% | 0.538 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 175.5 | 178.5 | 80.1 | 0 | 0 | 0 | 112 | K877 A878 A883 T884 Q885 E909 | K877-W881 WeakPolarHBondContact O-CB 3.37Å; K877-W881 PolarHBondContact O-N 3.38Å; A878-W881 PolarHBondContact O-N 3.3Å; W881-A883 PolarHBondContact O-N 3.48Å; W881-T884 PolarHBondContact O-N 3.01Å; W881-T884 VanDerWaalsContact O-N 3.1Å; W881-Q885 HydrophobicContact CD2-CG 3.76Å; W881-Q885 VanDerWaalsContact CE2-CG 3.4Å; W881-Q885 HydrophobicContact CE3-CG 4.04Å; W881-Q885 HydrophobicContact CG-CG 4.42Å; W881-Q885 HydrophobicContact CH2-CG 3.76Å; W881-Q885 HydrophobicContact CZ2-CG 3.43Å; W881-Q885 VanDerWaalsContact CZ2-CG 3.43Å; W881-Q885 HydrophobicContact CZ3-CG 4.05Å; W881-Q885 WeakPolarHBondContact O-CG 3.23Å; W881-Q885 PolarHBondContact O-N 3.43Å; W881-E909 HydrophobicContact CZ3-CG 4.08Å |
| 882 | G | 93.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58 | -36.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A878 V879 Q885 L886 I910 | A878-G882 PolarHBondContact O-N 3.34Å; V879-G882 PolarHBondContact O-N 2.96Å; G882-Q885 PolarHBondContact O-N 3.44Å; G882-L886 WeakPolarHBondContact O-CB 3.44Å; G882-L886 PolarHBondContact O-N 3.46Å; G882-I910 VanDerWaalsContact C-CD1 3.5Å |
| 883 | A | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I794 M831 V879 G880 W881 L886 V887 I910 | I794-A883 HydrophobicContact CG1-CB 4.03Å; M831-A883 HydrophobicContact CE-CB 3.78Å; M831-A883 WeakPolarHBondContact CE-O 3.4Å; M831-A883 HydrophobicContact SD-CB 4.02Å; V879-A883 PolarHBondContact O-N 3.18Å; G880-A883 WeakPolarHBondContact O-CB 3.25Å; G880-A883 PolarHBondContact O-N 3.33Å; W881-A883 PolarHBondContact O-N 3.48Å; A883-L886 PolarHBondContact O-N 3.41Å; A883-V887 PolarHBondContact O-N 3.27Å; A883-I910 VanDerWaalsContact CA-CD1 3.44Å; A883-I910 HydrophobicContact CB-CD1 4.02Å |
| 884 | T | 93.1 | Very high | 92.4 | Very high | 45 Ų | 45 | 31.5 Ų | 31.5 | 28% | 0.276 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.7 | -55 | 0 | 0 | 0 | 0 | 111.6 | G880 W881 L886 V887 E888 | G880-T884 PolarHBondContact O-N 3.33Å; G880-T884 PolarHBondContact O-OG1 3.49Å; W881-T884 PolarHBondContact O-N 3.01Å; W881-T884 VanDerWaalsContact O-N 3.1Å; T884-L886 VanDerWaalsContact C-N 3.33Å; T884-L886 PolarHBondContact O-N 2.98Å; T884-V887 PolarHBondContact O-N 2.88Å; T884-E888 HydrophobicContact CG2-CG 4.49Å; T884-E888 WeakPolarHBondContact O-CG 3.41Å; T884-E888 PolarHBondContact O-N 2.99Å |
| 885 | Q | 93.6 | Very high | 92.3 | Very high | 49 Ų | 49 | 32.6 Ų | 32.6 | 23% | 0.229 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 179.6 | -66 | -58.6 | 111.9 | 0 | 0 | 112.8 | W881 G882 V887 E888 A889 | W881-Q885 HydrophobicContact CD2-CG 3.76Å; W881-Q885 VanDerWaalsContact CE2-CG 3.4Å; W881-Q885 HydrophobicContact CE3-CG 4.04Å; W881-Q885 HydrophobicContact CG-CG 4.42Å; W881-Q885 HydrophobicContact CH2-CG 3.76Å; W881-Q885 HydrophobicContact CZ2-CG 3.43Å; W881-Q885 VanDerWaalsContact CZ2-CG 3.43Å; W881-Q885 HydrophobicContact CZ3-CG 4.05Å; W881-Q885 WeakPolarHBondContact O-CG 3.23Å; W881-Q885 PolarHBondContact O-N 3.43Å; G882-Q885 PolarHBondContact O-N 3.44Å; Q885-V887 VanDerWaalsContact C-N 3.33Å; Q885-V887 PolarHBondContact O-N 3.22Å; Q885-E888 PolarHBondContact O-N 3.27Å; Q885-A889 WeakPolarHBondContact O-CB 3.46Å; Q885-A889 PolarHBondContact O-N 3.28Å |
| 886 | L | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 177.4 | -173.8 | 77 | 0 | 0 | 0 | 111.6 | L830 M831 G882 A883 T884 A889 A890 L903 C906 S907 I910 | L830-L886 HydrophobicContact CD2-CD2 3.66Å; L830-L886 HydrophobicContact CG-CD2 4.36Å; M831-L886 HydrophobicContact CE-CB 3.91Å; M831-L886 HydrophobicContact CE-CD2 3.53Å; M831-L886 HydrophobicContact CE-CG 4.24Å; G882-L886 WeakPolarHBondContact O-CB 3.44Å; G882-L886 PolarHBondContact O-N 3.46Å; A883-L886 PolarHBondContact O-N 3.41Å; T884-L886 VanDerWaalsContact C-N 3.33Å; T884-L886 PolarHBondContact O-N 2.98Å; L886-A889 PolarHBondContact O-N 2.92Å; L886-A890 WeakPolarHBondContact O-CB 3.35Å; L886-A890 PolarHBondContact O-N 3.35Å; L886-L903 HydrophobicContact CD1-CD1 3.74Å; L886-L903 HydrophobicContact CG-CD1 4.35Å; L886-C906 HydrophobicContact CB-CB 4.47Å; L886-C906 HydrophobicContact CD1-CB 4Å; L886-S907 WeakPolarHBondContact CD1-OG 3.5Å; L886-I910 HydrophobicContact CB-CD1 4.42Å; L886-I910 HydrophobicContact CD2-CD1 4.4Å |
| 887 | V | 94.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.7 | -42.5 | 179.4 | 174 | 0 | 0 | 0 | 0 | 111.5 | A797 R800 I801 M804 M831 A883 T884 Q885 A889 A890 D891 | A797-V887 HydrophobicContact CB-CG2 3.47Å; A797-V887 VanDerWaalsContact CB-CG2 3.47Å; R800-V887 HydrophobicContact CB-CG1 3.72Å; I801-V887 HydrophobicContact CD1-CG2 3.8Å; I801-V887 HydrophobicContact CG1-CG1 4.4Å; I801-V887 HydrophobicContact CG1-CG2 3.82Å; M804-V887 HydrophobicContact CE-CG1 3.8Å; M831-V887 HydrophobicContact CE-CG2 3.85Å; A883-V887 PolarHBondContact O-N 3.27Å; T884-V887 PolarHBondContact O-N 2.88Å; Q885-V887 VanDerWaalsContact C-N 3.33Å; Q885-V887 PolarHBondContact O-N 3.22Å; V887-A889 VanDerWaalsContact C-N 3.33Å; V887-A889 PolarHBondContact O-N 2.87Å; V887-A890 PolarHBondContact O-N 2.95Å; V887-D891 WeakPolarHBondContact O-CB 3.46Å; V887-D891 PolarHBondContact O-N 3.28Å |
| 888 | E | 93.6 | Very high | 90.7 | Very high | 75 Ų | 75 | 40 Ų | 40 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.6 | -71 | -178.6 | -175.6 | 0 | 0 | 112 | T884 Q885 D891 K892 | T884-E888 HydrophobicContact CG2-CG 4.49Å; T884-E888 WeakPolarHBondContact O-CG 3.41Å; T884-E888 PolarHBondContact O-N 2.99Å; Q885-E888 PolarHBondContact O-N 3.27Å; E888-D891 PolarHBondContact O-N 3.44Å; E888-K892 VanDerWaalsContact O-CG 3.3Å; E888-K892 WeakPolarHBondContact O-CG 3.33Å; E888-K892 PolarHBondContact O-N 3.01Å |
| 889 | A | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q885 L886 V887 D891 K892 V893 E902 L903 C906 | Q885-A889 WeakPolarHBondContact O-CB 3.46Å; Q885-A889 PolarHBondContact O-N 3.28Å; L886-A889 PolarHBondContact O-N 2.92Å; V887-A889 VanDerWaalsContact C-N 3.33Å; V887-A889 PolarHBondContact O-N 2.87Å; A889-D891 PolarHBondContact O-N 3.26Å; A889-K892 PolarHBondContact O-N 3.36Å; A889-V893 WeakPolarHBondContact O-CG2 3.29Å; A889-V893 PolarHBondContact O-N 3.02Å; A889-E902 HydrophobicContact CB-CG 4.15Å; A889-L903 HydrophobicContact CB-CB 4.22Å; A889-L903 HydrophobicContact CB-CD1 4.09Å; A889-C906 HydrophobicContact CB-CB 4.36Å |
| 890 | A | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | M804 L824 L886 V887 V893 V894 L903 | M804-A890 HydrophobicContact CE-CB 4.23Å; L824-A890 HydrophobicContact CD2-CB 4.33Å; L886-A890 WeakPolarHBondContact O-CB 3.35Å; L886-A890 PolarHBondContact O-N 3.35Å; V887-A890 PolarHBondContact O-N 2.95Å; A890-V893 PolarHBondContact O-N 3.33Å; A890-V894 VanDerWaalsContact O-CG2 3.29Å; A890-V894 WeakPolarHBondContact O-CG2 3.43Å; A890-V894 PolarHBondContact O-N 3.24Å; A890-L903 HydrophobicContact CB-CD1 4.07Å |
| 891 | D | 91.8 | Very high | 89.9 | Confident | 56 Ų | 56 | 51 Ų | 51 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.5 | -49.4 | 176.1 | -167.9 | 33.1 | 0 | 0 | 0 | 111.6 | M804 V887 E888 A889 V893 V894 L895 | M804-D891 WeakPolarHBondContact SD-CA 3.37Å; M804-D891 HydrophobicContact SD-CB 3.33Å; M804-D891 WeakPolarHBondContact SD-CB 3.33Å; V887-D891 WeakPolarHBondContact O-CB 3.46Å; V887-D891 PolarHBondContact O-N 3.28Å; E888-D891 PolarHBondContact O-N 3.44Å; A889-D891 PolarHBondContact O-N 3.26Å; D891-V893 VanDerWaalsContact C-N 3.3Å; D891-V893 PolarHBondContact O-N 3.15Å; D891-V894 PolarHBondContact O-N 3.34Å; D891-L895 WeakPolarHBondContact O-CB 3.36Å; D891-L895 WeakPolarHBondContact O-CG 3.34Å; D891-L895 PolarHBondContact O-N 3.47Å |
| 892 | K | 90.9 | Very high | 89.8 | Confident | 74 Ų | 74 | 47.2 Ų | 47.2 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.2 | -38.2 | 177.8 | -65.7 | 173.3 | -166.8 | 172.3 | 0 | 112.4 | E888 A889 L895 H896 M897 G898 E902 | E888-K892 VanDerWaalsContact O-CG 3.3Å; E888-K892 WeakPolarHBondContact O-CG 3.33Å; E888-K892 PolarHBondContact O-N 3.01Å; A889-K892 PolarHBondContact O-N 3.36Å; K892-L895 PolarHBondContact O-N 2.75Å; K892-H896 PolarHBondContact O-N 3.46Å; K892-H896 VanDerWaalsContact O-N 3.14Å; K892-M897 PolarHBondContact O-N 3.19Å; K892-G898 PolarHBondContact O-N 3.4Å; K892-E902 IonicContact NZ-OE1 3.13Å; K892-E902 PolarHBondContact NZ-OE1 2.93Å; K892-E902 IonicContact NZ-OE2 3.4Å |
| 893 | V | 89.4 | Confident | 89.7 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 176.7 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | I823 A889 A890 D891 L895 H896 Y900 L903 | I823-V893 HydrophobicContact CD1-CG1 4.31Å; A889-V893 WeakPolarHBondContact O-CG2 3.29Å; A889-V893 PolarHBondContact O-N 3.02Å; A890-V893 PolarHBondContact O-N 3.33Å; D891-V893 VanDerWaalsContact C-N 3.3Å; D891-V893 PolarHBondContact O-N 3.15Å; V893-L895 VanDerWaalsContact C-N 3.33Å; V893-L895 PolarHBondContact O-N 3.04Å; V893-H896 PolarHBondContact O-N 3.06Å; V893-H896 VanDerWaalsContact O-N 3.16Å; V893-Y900 HydrophobicContact CG1-CD1 3.8Å; V893-Y900 HydrophobicContact CG1-CE1 3.43Å; V893-Y900 VanDerWaalsContact CG1-CE1 3.43Å; V893-L903 HydrophobicContact CG2-CB 4.11Å; V893-L903 HydrophobicContact CG2-CD2 4.29Å |
| 894 | V | 87.6 | Confident | 89.5 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.3 | -34.9 | 178 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | A808 N820 L824 A890 D891 H896 | A808-V894 HydrophobicContact CB-CG1 3.92Å; N820-V894 HydrophobicContact CB-CG2 4.43Å; L824-V894 HydrophobicContact CD1-CG2 3.87Å; L824-V894 HydrophobicContact CD2-CG2 3.93Å; L824-V894 HydrophobicContact CG-CG2 3.93Å; A890-V894 VanDerWaalsContact O-CG2 3.29Å; A890-V894 WeakPolarHBondContact O-CG2 3.43Å; A890-V894 PolarHBondContact O-N 3.24Å; D891-V894 PolarHBondContact O-N 3.34Å; V894-H896 VanDerWaalsContact C-N 3.27Å; V894-H896 PolarHBondContact O-CD2 3.01Å; V894-H896 VanDerWaalsContact O-CD2 3.31Å; V894-H896 PolarHBondContact O-N 3Å; V894-H896 PolarHBondContact O-NE2 3.49Å |
| 895 | L | 85.4 | Confident | 89.4 | Confident | 89 Ų | 89 | 50.6 Ų | 50.6 | 47% | 0.466 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -3 | 175.9 | -66.2 | 174.4 | 0 | 0 | 0 | 113.6 | D891 K892 V893 M897 | D891-L895 WeakPolarHBondContact O-CB 3.36Å; D891-L895 WeakPolarHBondContact O-CG 3.34Å; D891-L895 PolarHBondContact O-N 3.47Å; K892-L895 PolarHBondContact O-N 2.75Å; V893-L895 VanDerWaalsContact C-N 3.33Å; V893-L895 PolarHBondContact O-N 3.04Å; L895-M897 HydrophobicContact CB-CB 4.48Å; L895-M897 HydrophobicContact CB-CG 4.14Å; L895-M897 HydrophobicContact CB-SD 4.38Å; L895-M897 PolarHBondContact O-N 2.87Å |
| 896 | H | 81.2 | Confident | 89.3 | Confident | 77 Ų | 77 | 49 Ų | 49 | 36% | 0.356 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 27.6 | -173.5 | -54.2 | -72.1 | 0 | 0 | 0 | 114 | K816 K892 V893 V894 | K816-H896 WeakPolarHBondContact CE-CD2 3.33Å; K816-H896 WeakPolarHBondContact CE-CE1 3.12Å; K816-H896 WeakPolarHBondContact CE-NE2 3.14Å; K816-H896 PolarHBondContact NZ-CD2 2.98Å; K816-H896 VanDerWaalsContact NZ-CD2 3.3Å; K816-H896 PolarHBondContact NZ-NE2 3.31Å; K892-H896 PolarHBondContact O-N 3.46Å; K892-H896 VanDerWaalsContact O-N 3.14Å; V893-H896 PolarHBondContact O-N 3.06Å; V893-H896 VanDerWaalsContact O-N 3.16Å; V894-H896 VanDerWaalsContact C-N 3.27Å; V894-H896 PolarHBondContact O-CD2 3.01Å; V894-H896 VanDerWaalsContact O-CD2 3.31Å; V894-H896 PolarHBondContact O-N 3Å; V894-H896 PolarHBondContact O-NE2 3.49Å |
| 897 | M | 81.7 | Confident | 89.3 | Confident | 157 Ų | 157 | 49 Ų | 49 | 77% | 0.773 | 25% | 0.246 | S | C | * | . | trans | -104.3 | -10.6 | 176.4 | -64.9 | -175.6 | 65 | 0 | 0 | 112.2 | K892 L895 | K892-M897 PolarHBondContact O-N 3.19Å; L895-M897 HydrophobicContact CB-CB 4.48Å; L895-M897 HydrophobicContact CB-CG 4.14Å; L895-M897 HydrophobicContact CB-SD 4.38Å; L895-M897 PolarHBondContact O-N 2.87Å | ||
| 898 | G | 79.3 | Confident | 89 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -117 | 166.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K892 | K892-G898 PolarHBondContact O-N 3.4Š|
| 899 | K | 86.3 | Confident | 88.9 | Confident | 150 Ų | 150 | 54.7 Ų | 54.7 | 65% | 0.652 | 27% | 0.272 | S | S | * | . | trans | -92.1 | 140.1 | 176 | -68 | -174.8 | -178.6 | -177.1 | 0 | 110.2 | E901 E902 | K899-E901 WeakPolarHBondContact CB-OE2 3.25Å; K899-E901 PolarHBondContact O-N 2.71Å; K899-E902 HydrophobicContact CB-CB 4.47Å; K899-E902 WeakPolarHBondContact O-CB 3.21Å; K899-E902 PolarHBondContact O-N 3.38Å; K899-E902 VanDerWaalsContact O-N 3.08Å | ||
| 900 | Y | 88.1 | Confident | 88.9 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -32.1 | 174.7 | -73.8 | -88.9 | 0 | 0 | 0 | 111.2 | I823 V893 E902 L903 I904 T953 Q957 I960 | I823-Y900 HydrophobicContact CD1-CD1 4.38Å; I823-Y900 HydrophobicContact CD1-CE1 3.86Å; V893-Y900 HydrophobicContact CG1-CD1 3.8Å; V893-Y900 HydrophobicContact CG1-CE1 3.43Å; V893-Y900 VanDerWaalsContact CG1-CE1 3.43Å; Y900-E902 VanDerWaalsContact C-N 3.29Å; Y900-E902 PolarHBondContact O-N 2.57Å; Y900-L903 PolarHBondContact O-N 2.91Å; Y900-I904 WeakPolarHBondContact O-CG1 3.41Å; Y900-I904 PolarHBondContact O-N 2.71Å; Y900-T953 HydrophobicContact CD1-CG2 3.75Å; Y900-T953 HydrophobicContact CG-CG2 4.33Å; Y900-T953 WeakPolarHBondContact O-CG2 3.34Å; Y900-Q957 HydrophobicContact CD1-CB 4.16Å; Y900-Q957 HydrophobicContact CD2-CB 4.13Å; Y900-Q957 HydrophobicContact CD2-CG 4.17Å; Y900-Q957 HydrophobicContact CG-CB 3.89Å; Y900-Q957 HydrophobicContact CG-CG 4.27Å; Y900-I960 VanDerWaalsContact OH-CD1 3.29Å; Y900-I960 WeakPolarHBondContact OH-CD1 3.45Å |
| 901 | E | 89.4 | Confident | 88.9 | Confident | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.6 | -31.1 | 175.9 | -60.8 | 79 | -175.1 | 0 | 0 | 113 | K899 I904 V905 Q957 | K899-E901 WeakPolarHBondContact CB-OE2 3.25Å; K899-E901 PolarHBondContact O-N 2.71Å; E901-I904 PolarHBondContact O-N 3.25Å; E901-V905 WeakPolarHBondContact O-CG2 3.19Å; E901-V905 PolarHBondContact O-N 3.45Å; E901-Q957 PolarHBondContact OE1-NE2 3.27Å |
| 902 | E | 90.5 | Very high | 88.7 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.6 | -170.8 | 178.3 | 172.2 | 0 | 0 | 110.4 | A889 K892 K899 Y900 I904 V905 C906 | A889-E902 HydrophobicContact CB-CG 4.15Å; K892-E902 IonicContact NZ-OE1 3.13Å; K892-E902 PolarHBondContact NZ-OE1 2.93Å; K892-E902 IonicContact NZ-OE2 3.4Å; K899-E902 HydrophobicContact CB-CB 4.47Å; K899-E902 WeakPolarHBondContact O-CB 3.21Å; K899-E902 PolarHBondContact O-N 3.38Å; K899-E902 VanDerWaalsContact O-N 3.08Å; Y900-E902 VanDerWaalsContact C-N 3.29Å; Y900-E902 PolarHBondContact O-N 2.57Å; E902-I904 VanDerWaalsContact C-N 3.35Å; E902-I904 PolarHBondContact O-N 2.9Å; E902-V905 PolarHBondContact O-N 2.85Å; E902-C906 PolarHBondContact O-N 2.9Å; E902-C906 PolarHBondContact O-SG 2.92Å; E902-C906 VanDerWaalsContact O-SG 3.32Å |
| 903 | L | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 177.3 | -178.4 | 58.3 | 0 | 0 | 0 | 112.5 | I823 L886 A889 A890 V893 Y900 S907 V949 T953 | I823-L903 HydrophobicContact CG2-CD2 3.52Å; L886-L903 HydrophobicContact CD1-CD1 3.74Å; L886-L903 HydrophobicContact CG-CD1 4.35Å; A889-L903 HydrophobicContact CB-CB 4.22Å; A889-L903 HydrophobicContact CB-CD1 4.09Å; A890-L903 HydrophobicContact CB-CD1 4.07Å; V893-L903 HydrophobicContact CG2-CB 4.11Å; V893-L903 HydrophobicContact CG2-CD2 4.29Å; Y900-L903 PolarHBondContact O-N 2.91Å; L903-S907 WeakPolarHBondContact O-CB 3.5Å; L903-S907 PolarHBondContact O-N 3.24Å; L903-S907 PolarHBondContact O-OG 2.86Å; L903-V949 HydrophobicContact CD1-CG1 4.49Å; L903-V949 HydrophobicContact CG-CG1 4.38Å; L903-T953 HydrophobicContact CB-CG2 4.16Å; L903-T953 HydrophobicContact CD2-CG2 3.99Å; L903-T953 WeakPolarHBondContact CD2-OG1 3.39Å; L903-T953 HydrophobicContact CG-CG2 4.25Å |
| 904 | I | 90.9 | Very high | 89 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 174.3 | -66.9 | 171.7 | 0 | 0 | 0 | 110.6 | Y900 E901 E902 S907 H908 V950 T953 K954 | Y900-I904 WeakPolarHBondContact O-CG1 3.41Å; Y900-I904 PolarHBondContact O-N 2.71Å; E901-I904 PolarHBondContact O-N 3.25Å; E902-I904 VanDerWaalsContact C-N 3.35Å; E902-I904 PolarHBondContact O-N 2.9Å; I904-S907 WeakPolarHBondContact O-CB 3.39Å; I904-S907 PolarHBondContact O-N 3.49Å; I904-H908 PolarHBondContact O-CD2 3.5Å; I904-H908 VanDerWaalsContact O-CD2 3.29Å; I904-H908 PolarHBondContact O-N 3.26Å; I904-H908 VanDerWaalsContact O-N 3.15Å; I904-V950 HydrophobicContact CG1-CG1 4.25Å; I904-V950 HydrophobicContact CG2-CG1 3.99Å; I904-V950 HydrophobicContact CG2-CG2 4.08Å; I904-T953 HydrophobicContact CD1-CG2 4.3Å; I904-T953 HydrophobicContact CG1-CG2 3.85Å; I904-K954 HydrophobicContact CD1-CG 3.82Å |
| 905 | V | 90.4 | Very high | 89.2 | Confident | 96 Ų | 96 | 52.7 Ų | 52.7 | 58% | 0.582 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 179.7 | 173.9 | 0 | 0 | 0 | 0 | 111 | E901 E902 S907 H908 E909 | E901-V905 WeakPolarHBondContact O-CG2 3.19Å; E901-V905 PolarHBondContact O-N 3.45Å; E902-V905 PolarHBondContact O-N 2.85Å; V905-S907 VanDerWaalsContact C-N 3.26Å; V905-S907 PolarHBondContact O-N 2.66Å; V905-H908 PolarHBondContact O-N 3.29Å; V905-E909 WeakPolarHBondContact O-CB 3.45Å; V905-E909 PolarHBondContact O-N 3.13Å |
| 906 | C | 92 | Very high | 89.4 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 11% | 0.108 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -35.2 | 176.1 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | L886 A889 E902 E909 I910 | L886-C906 HydrophobicContact CB-CB 4.47Å; L886-C906 HydrophobicContact CD1-CB 4Å; A889-C906 HydrophobicContact CB-CB 4.36Å; E902-C906 PolarHBondContact O-N 2.9Å; E902-C906 PolarHBondContact O-SG 2.92Å; E902-C906 VanDerWaalsContact O-SG 3.32Å; C906-E909 PolarHBondContact O-N 3.41Å; C906-I910 WeakPolarHBondContact O-CG2 3.32Å; C906-I910 PolarHBondContact O-N 3.38Å |
| 907 | S | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | L886 L903 I904 V905 I910 A911 V949 | L886-S907 WeakPolarHBondContact CD1-OG 3.5Å; L903-S907 WeakPolarHBondContact O-CB 3.5Å; L903-S907 PolarHBondContact O-N 3.24Å; L903-S907 PolarHBondContact O-OG 2.86Å; I904-S907 WeakPolarHBondContact O-CB 3.39Å; I904-S907 PolarHBondContact O-N 3.49Å; V905-S907 VanDerWaalsContact C-N 3.26Å; V905-S907 PolarHBondContact O-N 2.66Å; S907-I910 WeakPolarHBondContact O-CG2 3.3Å; S907-A911 PolarHBondContact O-N 3.25Å; S907-V949 WeakPolarHBondContact OG-CG1 3.12Å |
| 908 | H | 89.6 | Confident | 90.5 | Very high | 113 Ų | 113 | 42.6 Ų | 42.6 | 52% | 0.523 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.7 | -40.8 | 173.6 | -75.9 | -61.5 | 0 | 0 | 0 | 112.4 | I904 V905 A911 A912 | I904-H908 PolarHBondContact O-CD2 3.5Å; I904-H908 VanDerWaalsContact O-CD2 3.29Å; I904-H908 PolarHBondContact O-N 3.26Å; I904-H908 VanDerWaalsContact O-N 3.15Å; V905-H908 PolarHBondContact O-N 3.29Å; H908-A911 PolarHBondContact O-N 2.83Å; H908-A912 PolarHBondContact O-N 3Å |
| 909 | E | 91.5 | Very high | 90.9 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 41% | 0.407 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.9 | -42.3 | -177.5 | -173.8 | 56.2 | -149.4 | 0 | 0 | 112.3 | W881 V905 C906 A911 A912 S913 | W881-E909 HydrophobicContact CZ3-CG 4.08Å; V905-E909 WeakPolarHBondContact O-CB 3.45Å; V905-E909 PolarHBondContact O-N 3.13Å; C906-E909 PolarHBondContact O-N 3.41Å; E909-A911 VanDerWaalsContact C-N 3.34Å; E909-A911 PolarHBondContact O-N 2.91Å; E909-A912 PolarHBondContact O-N 3.32Å; E909-S913 WeakPolarHBondContact O-CB 3.39Å; E909-S913 PolarHBondContact O-N 2.92Å; E909-S913 PolarHBondContact O-OG 3.4Å |
| 910 | I | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -36.8 | 177.1 | -161.6 | 174.5 | 0 | 0 | 0 | 111.5 | L830 M831 I834 G882 A883 L886 C906 S907 S913 T914 | L830-I910 HydrophobicContact CD2-CG2 4.14Å; M831-I910 HydrophobicContact CE-CD1 4.07Å; M831-I910 HydrophobicContact SD-CD1 4.41Å; I834-I910 HydrophobicContact CD1-CD1 3.27Å; I834-I910 HydrophobicContact CD1-CG1 3.65Å; I834-I910 HydrophobicContact CD1-CG2 4.38Å; G882-I910 VanDerWaalsContact C-CD1 3.5Å; A883-I910 VanDerWaalsContact CA-CD1 3.44Å; A883-I910 HydrophobicContact CB-CD1 4.02Å; L886-I910 HydrophobicContact CB-CD1 4.42Å; L886-I910 HydrophobicContact CD2-CD1 4.4Å; C906-I910 WeakPolarHBondContact O-CG2 3.32Å; C906-I910 PolarHBondContact O-N 3.38Å; S907-I910 WeakPolarHBondContact O-CG2 3.3Å; I910-S913 PolarHBondContact O-N 3.13Å; I910-T914 WeakPolarHBondContact O-CG2 3.4Å; I910-T914 PolarHBondContact O-N 3.27Å; I910-T914 PolarHBondContact O-OG1 3.33Å |
| 911 | A | 91.5 | Very high | 91 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S907 H908 E909 S913 T914 A915 A946 | S907-A911 PolarHBondContact O-N 3.25Å; H908-A911 PolarHBondContact O-N 2.83Å; E909-A911 VanDerWaalsContact C-N 3.34Å; E909-A911 PolarHBondContact O-N 2.91Å; A911-S913 PolarHBondContact O-N 3.49Å; A911-T914 PolarHBondContact O-N 2.99Å; A911-T914 PolarHBondContact O-OG1 3.09Å; A911-A915 PolarHBondContact O-N 3.01Å; A911-A946 HydrophobicContact CB-CB 3.94Å |
| 912 | A | 88.8 | Confident | 91 | Very high | 53 Ų | 53 | 38.5 Ų | 38.5 | 44% | 0.438 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H908 E909 T914 A915 Q916 | H908-A912 PolarHBondContact O-N 3Å; E909-A912 PolarHBondContact O-N 3.32Å; A912-T914 VanDerWaalsContact C-N 3.33Å; A912-T914 PolarHBondContact O-N 3.46Å; A912-A915 WeakPolarHBondContact O-CB 3.46Å; A912-A915 PolarHBondContact O-N 3.28Å; A912-A915 VanDerWaalsContact O-N 3.14Å; A912-Q916 PolarHBondContact O-N 3.32Å |
| 913 | S | 93.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 176.4 | -66.4 | 0 | 0 | 0 | 0 | 111.9 | V879 E909 I910 A911 Q916 L917 | V879-S913 VanDerWaalsContact CG2-C 3.47Å; V879-S913 WeakPolarHBondContact CG2-O 3.5Å; E909-S913 WeakPolarHBondContact O-CB 3.39Å; E909-S913 PolarHBondContact O-N 2.92Å; E909-S913 PolarHBondContact O-OG 3.4Å; I910-S913 PolarHBondContact O-N 3.13Å; A911-S913 PolarHBondContact O-N 3.49Å; S913-Q916 WeakPolarHBondContact O-CB 3.37Å; S913-Q916 PolarHBondContact O-N 3.3Å; S913-L917 PolarHBondContact O-N 3.4Å |
| 914 | T | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.7 | -33.7 | 175.8 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | I834 L837 V879 I910 A911 A912 L917 V918 V942 | I834-T914 HydrophobicContact CG1-CG2 4.19Å; I834-T914 HydrophobicContact CG2-CG2 4.1Å; L837-T914 HydrophobicContact CD1-CG2 4.43Å; L837-T914 HydrophobicContact CD2-CG2 4.42Å; V879-T914 HydrophobicContact CG1-CG2 4Å; V879-T914 HydrophobicContact CG2-CG2 3.91Å; I910-T914 WeakPolarHBondContact O-CG2 3.4Å; I910-T914 PolarHBondContact O-N 3.27Å; I910-T914 PolarHBondContact O-OG1 3.33Å; A911-T914 PolarHBondContact O-N 2.99Å; A911-T914 PolarHBondContact O-OG1 3.09Å; A912-T914 VanDerWaalsContact C-N 3.33Å; A912-T914 PolarHBondContact O-N 3.46Å; T914-L917 PolarHBondContact O-N 2.96Å; T914-V918 WeakPolarHBondContact O-CG2 3.38Å; T914-V918 PolarHBondContact O-N 3.02Å; T914-V942 HydrophobicContact CG2-CG1 4.15Å; T914-V942 WeakPolarHBondContact OG1-CG1 3.28Å |
| 915 | A | 90.4 | Very high | 90 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A911 A912 L917 V918 A919 | A911-A915 PolarHBondContact O-N 3.01Å; A912-A915 WeakPolarHBondContact O-CB 3.46Å; A912-A915 PolarHBondContact O-N 3.28Å; A912-A915 VanDerWaalsContact O-N 3.14Å; A915-L917 VanDerWaalsContact C-N 3.35Å; A915-V918 PolarHBondContact O-N 3.15Å; A915-A919 WeakPolarHBondContact O-CB 3.46Å; A915-A919 PolarHBondContact O-N 3.34Å |
| 916 | Q | 89.6 | Confident | 89.6 | Confident | 98 Ų | 98 | 44.6 Ų | 44.6 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 173.3 | -171 | -178.5 | -1.2 | 0 | 0 | 111.5 | A875 A912 S913 V918 A919 A920 | A875-Q916 HydrophobicContact CB-CB 4.47Å; A875-Q916 HydrophobicContact CB-CG 4Å; A912-Q916 PolarHBondContact O-N 3.32Å; S913-Q916 WeakPolarHBondContact O-CB 3.37Å; S913-Q916 PolarHBondContact O-N 3.3Å; Q916-V918 PolarHBondContact O-N 2.93Å; Q916-A919 PolarHBondContact O-N 3.11Å; Q916-A920 WeakPolarHBondContact O-CB 3.27Å; Q916-A920 PolarHBondContact O-N 2.66Å |
| 917 | L | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.7 | -178.4 | 60.4 | 0 | 0 | 0 | 112 | M787 L837 V838 L872 A875 V879 S913 T914 A915 A919 A920 S921 | M787-L917 HydrophobicContact SD-CD1 4.47Å; L837-L917 HydrophobicContact CD2-CD2 4.02Å; V838-L917 HydrophobicContact CG2-CD2 4.21Å; L872-L917 HydrophobicContact CD1-CD1 3.9Å; A875-L917 HydrophobicContact CB-CB 4.12Å; A875-L917 HydrophobicContact CB-CD1 4.11Å; V879-L917 HydrophobicContact CG2-CB 4.12Å; V879-L917 HydrophobicContact CG2-CD2 4.09Å; S913-L917 PolarHBondContact O-N 3.4Å; T914-L917 PolarHBondContact O-N 2.96Å; A915-L917 VanDerWaalsContact C-N 3.35Å; L917-A919 VanDerWaalsContact C-N 3.35Å; L917-A919 PolarHBondContact O-N 3.06Å; L917-A920 PolarHBondContact O-N 2.95Å; L917-S921 WeakPolarHBondContact O-CB 3.5Å; L917-S921 PolarHBondContact O-N 3.37Å; L917-S921 PolarHBondContact O-OG 3.48Å |
| 918 | V | 93.3 | Very high | 88.6 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 9% | 0.085 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.9 | 176 | 0 | 0 | 0 | 0 | 111 | L837 T914 A915 Q916 S921 K922 L935 | L837-V918 HydrophobicContact CD1-CG2 4.09Å; L837-V918 HydrophobicContact CD2-CG2 4.36Å; L837-V918 HydrophobicContact CG-CG2 4.45Å; T914-V918 WeakPolarHBondContact O-CG2 3.38Å; T914-V918 PolarHBondContact O-N 3.02Å; A915-V918 PolarHBondContact O-N 3.15Å; Q916-V918 PolarHBondContact O-N 2.93Å; V918-S921 PolarHBondContact O-N 3.5Å; V918-K922 WeakPolarHBondContact O-CB 3.3Å; V918-K922 PolarHBondContact O-N 3.01Å; V918-L935 HydrophobicContact CG1-CD2 4.42Å; V918-L935 HydrophobicContact CG1-CG 4.27Å; V918-L935 HydrophobicContact CG2-CD1 4.2Å; V918-L935 HydrophobicContact CG2-CG 4.05Å |
| 919 | A | 88.9 | Confident | 88.6 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 50% | 0.496 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A915 Q916 L917 S921 K922 | A915-A919 WeakPolarHBondContact O-CB 3.46Å; A915-A919 PolarHBondContact O-N 3.34Å; Q916-A919 PolarHBondContact O-N 3.11Å; L917-A919 VanDerWaalsContact C-N 3.35Å; L917-A919 PolarHBondContact O-N 3.06Å; A919-S921 PolarHBondContact O-N 3.39Å; A919-K922 PolarHBondContact O-N 3.3Å |
| 920 | A | 87.3 | Confident | 88.4 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 13% | 0.132 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W868 L872 A875 Q916 L917 K922 | W868-A920 PolarHBondContact NE1-O 2.93Å; L872-A920 HydrophobicContact CD1-CB 4.25Å; A875-A920 HydrophobicContact CB-CB 4.24Å; Q916-A920 WeakPolarHBondContact O-CB 3.27Å; Q916-A920 PolarHBondContact O-N 2.66Å; L917-A920 PolarHBondContact O-N 2.95Å; A920-K922 VanDerWaalsContact C-N 3.3Å; A920-K922 PolarHBondContact O-N 3.11Å |
| 921 | S | 89 | Confident | 88.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.4 | -24.3 | 178.6 | -67.2 | 0 | 0 | 0 | 0 | 114 | S841 Q845 L872 L917 V918 A919 | S841-S921 PolarHBondContact OG-OG 3.09Å; Q845-S921 PolarHBondContact NE2-OG 3.44Å; L872-S921 WeakPolarHBondContact CD1-OG 3.34Å; L917-S921 WeakPolarHBondContact O-CB 3.5Å; L917-S921 PolarHBondContact O-N 3.37Å; L917-S921 PolarHBondContact O-OG 3.48Å; V918-S921 PolarHBondContact O-N 3.5Å; A919-S921 PolarHBondContact O-N 3.39Å |
| 922 | K | 89.9 | Confident | 88.3 | Confident | 118 Ų | 118 | 59 Ų | 59 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75 | -27.6 | -179.7 | -177.4 | 177.3 | 178.1 | -178.4 | 0 | 114.1 | V918 A919 A920 K924 A925 L932 | V918-K922 WeakPolarHBondContact O-CB 3.3Å; V918-K922 PolarHBondContact O-N 3.01Å; A919-K922 PolarHBondContact O-N 3.3Å; A920-K922 VanDerWaalsContact C-N 3.3Å; A920-K922 PolarHBondContact O-N 3.11Å; K922-K924 PolarHBondContact O-N 2.88Å; K922-K924 VanDerWaalsContact O-N 3.16Å; K922-A925 PolarHBondContact O-N 3.5Å; K922-L932 HydrophobicContact CB-CD1 4.07Å; K922-L932 HydrophobicContact CG-CD1 4.08Å; K922-L932 HydrophobicContact CG-CD2 4.46Å |
| 923 | V | 84.8 | Confident | 88.4 | Confident | 100 Ų | 100 | 59.6 Ų | 59.6 | 61% | 0.606 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -35.1 | -168.6 | 176.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 924 | K | 83.4 | Confident | 88.4 | Confident | 95 Ų | 95 | 64.6 Ų | 64.6 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 5.4 | -177.4 | -65.2 | -73.3 | 177.6 | 157.9 | 0 | 113.5 | I848 N865 W868 K922 | I848-K924 HydrophobicContact CD1-CB 4.48Å; I848-K924 HydrophobicContact CG2-CB 3.77Å; N865-K924 WeakPolarHBondContact OD1-CE 3.39Å; N865-K924 PolarHBondContact OD1-NZ 3.35Å; W868-K924 HydrophobicContact CD2-CB 4.43Å; W868-K924 HydrophobicContact CD2-CG 3.67Å; W868-K924 HydrophobicContact CE3-CG 4.12Å; W868-K924 HydrophobicContact CG-CG 4Å; W868-K924 HydrophobicContact CH2-CB 4.22Å; W868-K924 HydrophobicContact CH2-CG 4.37Å; W868-K924 HydrophobicContact CZ2-CB 3.81Å; W868-K924 HydrophobicContact CZ2-CG 3.98Å; W868-K924 HydrophobicContact CZ3-CG 4.44Å; K922-K924 PolarHBondContact O-N 2.88Å; K922-K924 VanDerWaalsContact O-N 3.16Å |
| 925 | A | 83.9 | Confident | 88.4 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -80.3 | 145 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | L844 I848 K922 L932 | L844-A925 HydrophobicContact CD1-CB 4.03Å; L844-A925 HydrophobicContact CD2-CB 4.23Å; L844-A925 HydrophobicContact CG-CB 4.46Å; I848-A925 HydrophobicContact CD1-CB 4.01Å; I848-A925 HydrophobicContact CG1-CB 4.33Å; K922-A925 PolarHBondContact O-N 3.5Å; A925-L932 HydrophobicContact CB-CB 4.42Å; A925-L932 HydrophobicContact CB-CD1 4.17Å; A925-L932 HydrophobicContact CB-CD2 3.95Å; A925-L932 HydrophobicContact CB-CG 4.4Å |
| 926 | D | 82.6 | Confident | 88.5 | Confident | 98 Ų | 98 | 66.3 Ų | 66.3 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | trans | -63 | 137.6 | 166.7 | -167.9 | -32.5 | 0 | 0 | 0 | 109.7 | H928 S929 L932 | D926-H928 PolarHBondContact O-N 3Å; D926-H928 IonicContact OD1-CD2 3.74Å; D926-H928 PolarHBondContact OD1-N 3.49Å; D926-S929 WeakPolarHBondContact O-CB 3.43Å; D926-S929 PolarHBondContact O-N 3.34Å; D926-S929 VanDerWaalsContact O-N 3.12Å; D926-L932 WeakPolarHBondContact O-CD2 3.28Å | ||
| 927 | K | 80.7 | Confident | 88.6 | Confident | 186 Ų | 186 | 65.6 Ų | 65.6 | 81% | 0.809 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.3 | 176 | -66.6 | -179.3 | -178.6 | 175.1 | 0 | 112.7 | ||
| 928 | H | 83.3 | Confident | 88.7 | Confident | 167 Ų | 167 | 65.8 Ų | 65.8 | 77% | 0.773 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 9.9 | -179.8 | -60.7 | -61.7 | 0 | 0 | 0 | 113.8 | D926 | D926-H928 PolarHBondContact O-N 3Å; D926-H928 IonicContact OD1-CD2 3.74Å; D926-H928 PolarHBondContact OD1-N 3.49Å |
| 929 | S | 88.5 | Confident | 88.7 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | trans | -63.6 | 129.8 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 112 | L844 E847 D926 H931 L932 S933 | L844-S929 WeakPolarHBondContact CD1-OG 2.84Å; E847-S929 WeakPolarHBondContact OE1-CB 3.23Å; E847-S929 PolarHBondContact OE1-OG 3.16Å; E847-S929 PolarHBondContact OE2-OG 2.97Å; D926-S929 WeakPolarHBondContact O-CB 3.43Å; D926-S929 PolarHBondContact O-N 3.34Å; D926-S929 VanDerWaalsContact O-N 3.12Å; S929-H931 VanDerWaalsContact C-N 3.32Å; S929-H931 PolarHBondContact OG-N 3.43Å; S929-L932 PolarHBondContact O-N 3.28Å; S929-L932 PolarHBondContact OG-N 3.01Å; S929-S933 PolarHBondContact O-N 3.36Å; S929-S933 PolarHBondContact O-OG 2.95Å | ||
| 930 | P | 88.4 | Confident | 88.9 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.1 | -34.5 | 174.1 | 27.7 | -33.1 | 0 | 0 | 0 | 111.6 | S933 R934 | P930-S933 PolarHBondContact O-N 2.75Å; P930-R934 WeakPolarHBondContact O-CB 3.08Å; P930-R934 PolarHBondContact O-N 2.89Å |
| 931 | H | 90.6 | Very high | 89.3 | Confident | 73 Ų | 73 | 71.8 Ų | 71.8 | 34% | 0.338 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68 | -35.2 | 176.6 | -65.7 | 99.9 | 0 | 0 | 0 | 111.7 | L844 E847 S929 R934 L935 | L844-H931 HydrophobicContact CB-CB 3.93Å; L844-H931 HydrophobicContact CD1-CB 3.93Å; E847-H931 IonicContact OE2-CE1 3.86Å; E847-H931 IonicContact OE2-CG 2.72Å; E847-H931 IonicContact OE2-ND1 3.9Å; E847-H931 PolarHBondContact OE2-ND1 3.09Å; S929-H931 VanDerWaalsContact C-N 3.32Å; S929-H931 PolarHBondContact OG-N 3.43Å; H931-R934 PolarHBondContact O-N 2.94Å; H931-L935 VanDerWaalsContact O-CB 3.24Å; H931-L935 WeakPolarHBondContact O-CB 3.33Å; H931-L935 PolarHBondContact O-N 3.4Å |
| 932 | L | 90.8 | Very high | 89.6 | Confident | 8 Ų | 8 | 71.8 Ų | 71.8 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 173.4 | -179.5 | 63.9 | 0 | 0 | 0 | 111.9 | L844 K922 A925 D926 S929 R934 L935 Q936 | L844-L932 HydrophobicContact CD1-CB 4.2Å; L844-L932 HydrophobicContact CD2-CB 4.19Å; L844-L932 HydrophobicContact CD2-CD1 3.94Å; K922-L932 HydrophobicContact CB-CD1 4.07Å; K922-L932 HydrophobicContact CG-CD1 4.08Å; K922-L932 HydrophobicContact CG-CD2 4.46Å; A925-L932 HydrophobicContact CB-CB 4.42Å; A925-L932 HydrophobicContact CB-CD1 4.17Å; A925-L932 HydrophobicContact CB-CD2 3.95Å; A925-L932 HydrophobicContact CB-CG 4.4Å; D926-L932 WeakPolarHBondContact O-CD2 3.28Å; S929-L932 PolarHBondContact O-N 3.28Å; S929-L932 PolarHBondContact OG-N 3.01Å; L932-R934 VanDerWaalsContact C-N 3.35Å; L932-L935 PolarHBondContact O-N 2.97Å; L932-Q936 WeakPolarHBondContact O-CG 3.48Å; L932-Q936 PolarHBondContact O-N 2.94Å; L932-Q936 VanDerWaalsContact O-N 3.08Å |
| 933 | S | 90.9 | Very high | 89.6 | Confident | 66 Ų | 66 | 69.9 Ų | 69.9 | 46% | 0.462 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 176.9 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | S929 P930 Q936 E937 | S929-S933 PolarHBondContact O-N 3.36Å; S929-S933 PolarHBondContact O-OG 2.95Å; P930-S933 PolarHBondContact O-N 2.75Å; S933-Q936 PolarHBondContact O-N 3.44Å; S933-E937 PolarHBondContact O-N 3.17Å; S933-E937 VanDerWaalsContact O-N 3.14Å |
| 934 | R | 93.4 | Very high | 90.1 | Very high | 108 Ų | 108 | 70.7 Ų | 70.7 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 175.9 | -172.7 | 59.3 | 175.6 | 173.7 | 1.4 | 112.5 | T840 P930 H931 L932 Q936 E937 C938 | T840-R934 HydrophobicContact CG2-CB 3.97Å; T840-R934 HydrophobicContact CG2-CG 3.87Å; P930-R934 WeakPolarHBondContact O-CB 3.08Å; P930-R934 PolarHBondContact O-N 2.89Å; H931-R934 PolarHBondContact O-N 2.94Å; L932-R934 VanDerWaalsContact C-N 3.35Å; R934-Q936 VanDerWaalsContact C-N 3.35Å; R934-Q936 PolarHBondContact O-N 3.43Å; R934-E937 WeakPolarHBondContact CD-OE2 3.19Å; R934-E937 IonicContact CZ-OE2 2.95Å; R934-E937 IonicContact NH1-OE1 3.71Å; R934-E937 PolarHBondContact NH1-OE1 2.86Å; R934-E937 IonicContact NH1-OE2 3.97Å; R934-E937 PolarHBondContact NH1-OE2 3.39Å; R934-E937 WeakPolarHBondContact O-CB 3.43Å; R934-E937 PolarHBondContact O-N 3.5Å; R934-C938 PolarHBondContact O-N 3.05Å; R934-C938 PolarHBondContact O-SG 3.33Å |
| 935 | L | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 177.5 | -176.7 | 61.9 | 0 | 0 | 0 | 111.6 | L837 T840 L844 V918 H931 L932 C938 S939 | L837-L935 HydrophobicContact CD2-CD1 4.19Å; L837-L935 HydrophobicContact CG-CD1 3.92Å; L837-L935 WeakPolarHBondContact O-CD1 3.38Å; T840-L935 HydrophobicContact CG2-CB 3.97Å; T840-L935 HydrophobicContact CG2-CD1 4.41Å; L844-L935 HydrophobicContact CD2-CD2 3.65Å; V918-L935 HydrophobicContact CG1-CD2 4.42Å; V918-L935 HydrophobicContact CG1-CG 4.27Å; V918-L935 HydrophobicContact CG2-CD1 4.2Å; V918-L935 HydrophobicContact CG2-CG 4.05Å; H931-L935 VanDerWaalsContact O-CB 3.24Å; H931-L935 WeakPolarHBondContact O-CB 3.33Å; H931-L935 PolarHBondContact O-N 3.4Å; L932-L935 PolarHBondContact O-N 2.97Å; L935-C938 PolarHBondContact O-N 3.31Å; L935-S939 PolarHBondContact O-N 3.21Å |
| 936 | Q | 91.4 | Very high | 91.2 | Very high | 77 Ų | 77 | 69.8 Ų | 69.8 | 36% | 0.36 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.9 | -35 | 174.9 | -70.5 | 173 | 1.1 | 0 | 0 | 112.7 | L932 S933 R934 R940 | L932-Q936 WeakPolarHBondContact O-CG 3.48Å; L932-Q936 PolarHBondContact O-N 2.94Å; L932-Q936 VanDerWaalsContact O-N 3.08Å; S933-Q936 PolarHBondContact O-N 3.44Å; R934-Q936 VanDerWaalsContact C-N 3.35Å; R934-Q936 PolarHBondContact O-N 3.43Å; Q936-R940 PolarHBondContact O-N 3.3Å |
| 937 | E | 92 | Very high | 91.6 | Very high | 82 Ų | 82 | 67.6 Ų | 67.6 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 171.3 | -167.8 | -171.1 | 168.6 | 0 | 0 | 111.2 | S933 R934 S939 R940 T941 | S933-E937 PolarHBondContact O-N 3.17Å; S933-E937 VanDerWaalsContact O-N 3.14Å; R934-E937 WeakPolarHBondContact CD-OE2 3.19Å; R934-E937 IonicContact CZ-OE2 2.95Å; R934-E937 IonicContact NH1-OE1 3.71Å; R934-E937 PolarHBondContact NH1-OE1 2.86Å; R934-E937 IonicContact NH1-OE2 3.97Å; R934-E937 PolarHBondContact NH1-OE2 3.39Å; R934-E937 WeakPolarHBondContact O-CB 3.43Å; R934-E937 PolarHBondContact O-N 3.5Å; E937-S939 VanDerWaalsContact C-N 3.26Å; E937-S939 PolarHBondContact O-N 3.33Å; E937-R940 WeakPolarHBondContact O-CB 3.18Å; E937-R940 PolarHBondContact O-N 3.21Å; E937-R940 VanDerWaalsContact O-N 3.07Å; E937-T941 PolarHBondContact O-N 2.98Å; E937-T941 PolarHBondContact O-OG1 3.28Å |
| 938 | C | 94.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.7 | -40.1 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | L837 R934 L935 R940 T941 V942 | L837-C938 HydrophobicContact CB-CB 3.93Å; L837-C938 HydrophobicContact CD1-CB 4.34Å; L837-C938 HydrophobicContact CG-CB 4.2Å; R934-C938 PolarHBondContact O-N 3.05Å; R934-C938 PolarHBondContact O-SG 3.33Å; L935-C938 PolarHBondContact O-N 3.31Å; C938-R940 VanDerWaalsContact C-N 3.35Å; C938-R940 PolarHBondContact O-N 3.48Å; C938-T941 PolarHBondContact O-N 2.9Å; C938-V942 WeakPolarHBondContact O-CG2 3.44Å; C938-V942 PolarHBondContact O-N 3.22Å |
| 939 | S | 94 | Very high | 92.8 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 176 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | L935 E937 V942 N943 | L935-S939 PolarHBondContact O-N 3.21Å; E937-S939 VanDerWaalsContact C-N 3.26Å; E937-S939 PolarHBondContact O-N 3.33Å; S939-V942 PolarHBondContact O-N 2.97Å; S939-N943 PolarHBondContact O-N 3.46Å; S939-N943 VanDerWaalsContact O-N 3.1Å |
| 940 | R | 92.8 | Very high | 93 | Very high | 156 Ų | 156 | 55.1 Ų | 55.1 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 173.8 | -74.1 | -177.5 | -75.7 | 174.9 | -0.9 | 111.4 | Q936 E937 C938 V942 N943 E944 | Q936-R940 PolarHBondContact O-N 3.3Å; E937-R940 WeakPolarHBondContact O-CB 3.18Å; E937-R940 PolarHBondContact O-N 3.21Å; E937-R940 VanDerWaalsContact O-N 3.07Å; C938-R940 VanDerWaalsContact C-N 3.35Å; C938-R940 PolarHBondContact O-N 3.48Å; R940-V942 VanDerWaalsContact C-N 3.32Å; R940-V942 PolarHBondContact O-N 3.4Å; R940-N943 PolarHBondContact O-N 3.38Å; R940-E944 WeakPolarHBondContact O-CG 3.45Å; R940-E944 PolarHBondContact O-N 2.89Å |
| 941 | T | 95.4 | Very high | 93.1 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 28% | 0.282 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.9 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | A833 E937 C938 E944 R945 | A833-T941 HydrophobicContact CB-CG2 4.05Å; E937-T941 PolarHBondContact O-N 2.98Å; E937-T941 PolarHBondContact O-OG1 3.28Å; C938-T941 PolarHBondContact O-N 2.9Å; T941-E944 PolarHBondContact O-N 3.17Å; T941-R945 HydrophobicContact CG2-CG 4.35Å; T941-R945 VanDerWaalsContact O-CG 3.3Å; T941-R945 WeakPolarHBondContact O-CG 3.34Å; T941-R945 PolarHBondContact O-N 3.32Å |
| 942 | V | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 175.6 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L830 A833 I834 L837 T914 C938 S939 R940 E944 R945 A946 | L830-V942 HydrophobicContact CD1-CG1 3.94Å; L830-V942 WeakPolarHBondContact CD1-O 3.41Å; A833-V942 HydrophobicContact CB-CG2 3.83Å; I834-V942 HydrophobicContact CD1-CG1 4.44Å; I834-V942 HydrophobicContact CG1-CG1 3.84Å; I834-V942 HydrophobicContact CG1-CG2 3.8Å; L837-V942 HydrophobicContact CB-CG2 4.3Å; L837-V942 HydrophobicContact CD1-CB 4.41Å; L837-V942 HydrophobicContact CD1-CG2 3.83Å; T914-V942 HydrophobicContact CG2-CG1 4.15Å; T914-V942 WeakPolarHBondContact OG1-CG1 3.28Å; C938-V942 WeakPolarHBondContact O-CG2 3.44Å; C938-V942 PolarHBondContact O-N 3.22Å; S939-V942 PolarHBondContact O-N 2.97Å; R940-V942 VanDerWaalsContact C-N 3.32Å; R940-V942 PolarHBondContact O-N 3.4Å; V942-E944 PolarHBondContact O-N 3.08Å; V942-R945 PolarHBondContact O-N 3.29Å; V942-A946 WeakPolarHBondContact O-CB 3.37Å; V942-A946 PolarHBondContact O-N 3.47Å |
| 943 | N | 90.9 | Very high | 93.2 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.1 | -74.8 | -18.5 | 0 | 0 | 0 | 112.3 | S939 R940 A946 A947 | S939-N943 PolarHBondContact O-N 3.46Å; S939-N943 VanDerWaalsContact O-N 3.1Å; R940-N943 PolarHBondContact O-N 3.38Å; N943-A946 PolarHBondContact O-N 2.98Å; N943-A947 PolarHBondContact O-N 3.02Å |
| 944 | E | 94.4 | Very high | 93.1 | Very high | 116 Ų | 116 | 52.1 Ų | 52.1 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176 | -71.4 | 168.6 | -174.5 | 0 | 0 | 111.8 | R940 T941 V942 A947 N948 | R940-E944 WeakPolarHBondContact O-CG 3.45Å; R940-E944 PolarHBondContact O-N 2.89Å; T941-E944 PolarHBondContact O-N 3.17Å; V942-E944 PolarHBondContact O-N 3.08Å; E944-A947 PolarHBondContact O-N 3.47Å; E944-N948 VanDerWaalsContact O-CG 3.3Å; E944-N948 PolarHBondContact O-N 3.05Å; E944-N948 VanDerWaalsContact O-N 3.08Å; E944-N948 PolarHBondContact O-ND2 3.06Å |
| 945 | R | 96.1 | Very high | 92.8 | Very high | 89 Ų | 89 | 48.6 Ų | 48.6 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.4 | -36.1 | 177.5 | -62.8 | -53.3 | 173.4 | 163.4 | -9.8 | 112.5 | D829 L830 A833 T941 V942 N948 V949 | D829-R945 IonicContact OD2-NH1 3.04Å; D829-R945 PolarHBondContact OD2-NH1 3.38Å; L830-R945 HydrophobicContact CB-CB 3.96Å; L830-R945 HydrophobicContact CD1-CB 3.86Å; A833-R945 HydrophobicContact CB-CG 4.11Å; T941-R945 HydrophobicContact CG2-CG 4.35Å; T941-R945 VanDerWaalsContact O-CG 3.3Å; T941-R945 WeakPolarHBondContact O-CG 3.34Å; T941-R945 PolarHBondContact O-N 3.32Å; V942-R945 PolarHBondContact O-N 3.29Å; R945-N948 WeakPolarHBondContact O-CB 3.45Å; R945-N948 PolarHBondContact O-N 2.77Å; R945-V949 WeakPolarHBondContact O-CG2 3.48Å; R945-V949 PolarHBondContact O-N 2.89Å |
| 946 | A | 94.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L830 A911 V942 N943 N948 V949 V950 | L830-A946 HydrophobicContact CD1-CB 4.11Å; L830-A946 HydrophobicContact CD2-CB 4.2Å; A911-A946 HydrophobicContact CB-CB 3.94Å; V942-A946 WeakPolarHBondContact O-CB 3.37Å; V942-A946 PolarHBondContact O-N 3.47Å; N943-A946 PolarHBondContact O-N 2.98Å; A946-N948 VanDerWaalsContact C-N 3.31Å; A946-N948 PolarHBondContact O-N 3.27Å; A946-V949 PolarHBondContact O-N 3.33Å; A946-V950 WeakPolarHBondContact O-CG2 3.29Å; A946-V950 PolarHBondContact O-N 3.22Å |
| 947 | A | 91.3 | Very high | 92.1 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N943 E944 V949 V950 A951 | N943-A947 PolarHBondContact O-N 3.02Å; E944-A947 PolarHBondContact O-N 3.47Å; A947-V949 VanDerWaalsContact C-N 3.35Å; A947-V949 PolarHBondContact O-N 3.43Å; A947-V950 PolarHBondContact O-N 3.4Å; A947-A951 WeakPolarHBondContact O-CB 3.45Å; A947-A951 PolarHBondContact O-N 3.11Å |
| 948 | N | 94.3 | Very high | 91.6 | Very high | 81 Ų | 81 | 49.6 Ų | 49.6 | 43% | 0.433 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 176 | -69 | -18.2 | 0 | 0 | 0 | 113.1 | E944 R945 A946 S952 | E944-N948 VanDerWaalsContact O-CG 3.3Å; E944-N948 PolarHBondContact O-N 3.05Å; E944-N948 VanDerWaalsContact O-N 3.08Å; E944-N948 PolarHBondContact O-ND2 3.06Å; R945-N948 WeakPolarHBondContact O-CB 3.45Å; R945-N948 PolarHBondContact O-N 2.77Å; A946-N948 VanDerWaalsContact C-N 3.31Å; A946-N948 PolarHBondContact O-N 3.27Å; N948-S952 WeakPolarHBondContact O-CB 3.42Å; N948-S952 PolarHBondContact O-N 3.45Å; N948-S952 PolarHBondContact O-OG 3.29Å |
| 949 | V | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 172.7 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | S826 L830 L903 S907 R945 A946 A947 A951 S952 T953 | S826-V949 VanDerWaalsContact C-CG2 3.46Å; S826-V949 WeakPolarHBondContact O-CG2 3.23Å; S826-V949 WeakPolarHBondContact OG-CA 3.41Å; L830-V949 HydrophobicContact CB-CG2 4.06Å; L830-V949 HydrophobicContact CD2-CG2 3.9Å; L903-V949 HydrophobicContact CD1-CG1 4.49Å; L903-V949 HydrophobicContact CG-CG1 4.38Å; S907-V949 WeakPolarHBondContact OG-CG1 3.12Å; R945-V949 WeakPolarHBondContact O-CG2 3.48Å; R945-V949 PolarHBondContact O-N 2.89Å; A946-V949 PolarHBondContact O-N 3.33Å; A947-V949 VanDerWaalsContact C-N 3.35Å; A947-V949 PolarHBondContact O-N 3.43Å; V949-A951 PolarHBondContact O-N 2.95Å; V949-S952 PolarHBondContact O-N 2.93Å; V949-T953 VanDerWaalsContact O-CB 3.25Å; V949-T953 WeakPolarHBondContact O-CB 3.32Å; V949-T953 PolarHBondContact O-N 2.98Å; V949-T953 PolarHBondContact O-OG1 3.01Å |
| 950 | V | 93.9 | Very high | 90 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 177 | 174.5 | 0 | 0 | 0 | 0 | 111 | I904 A946 A947 T953 K954 | I904-V950 HydrophobicContact CG1-CG1 4.25Å; I904-V950 HydrophobicContact CG2-CG1 3.99Å; I904-V950 HydrophobicContact CG2-CG2 4.08Å; A946-V950 WeakPolarHBondContact O-CG2 3.29Å; A946-V950 PolarHBondContact O-N 3.22Å; A947-V950 PolarHBondContact O-N 3.4Å; V950-T953 PolarHBondContact O-N 2.84Å; V950-K954 HydrophobicContact CG1-CD 4.22Å; V950-K954 HydrophobicContact CG1-CG 4.48Å; V950-K954 WeakPolarHBondContact O-CG 3.43Å; V950-K954 PolarHBondContact O-N 3.3Å |
| 951 | A | 90.6 | Very high | 88.8 | Confident | 54 Ų | 54 | 53 Ų | 53 | 45% | 0.446 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A947 V949 T953 K954 S955 | A947-A951 WeakPolarHBondContact O-CB 3.45Å; A947-A951 PolarHBondContact O-N 3.11Å; V949-A951 PolarHBondContact O-N 2.95Å; A951-T953 VanDerWaalsContact C-N 3.3Å; A951-T953 PolarHBondContact O-N 3.44Å; A951-K954 PolarHBondContact O-N 2.98Å; A951-S955 VanDerWaalsContact O-CB 3.31Å; A951-S955 WeakPolarHBondContact O-CB 3.33Å; A951-S955 PolarHBondContact O-N 3.28Å |
| 952 | S | 91.6 | Very high | 87 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | N948 V949 G956 | N948-S952 WeakPolarHBondContact O-CB 3.42Å; N948-S952 PolarHBondContact O-N 3.45Å; N948-S952 PolarHBondContact O-OG 3.29Å; V949-S952 PolarHBondContact O-N 2.93Å; S952-G956 PolarHBondContact O-N 3.28Å |
| 953 | T | 91.7 | Very high | 85 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.6 | -46.8 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | Y900 L903 I904 V949 V950 A951 G956 Q957 | Y900-T953 HydrophobicContact CD1-CG2 3.75Å; Y900-T953 HydrophobicContact CG-CG2 4.33Å; Y900-T953 WeakPolarHBondContact O-CG2 3.34Å; L903-T953 HydrophobicContact CB-CG2 4.16Å; L903-T953 HydrophobicContact CD2-CG2 3.99Å; L903-T953 WeakPolarHBondContact CD2-OG1 3.39Å; L903-T953 HydrophobicContact CG-CG2 4.25Å; I904-T953 HydrophobicContact CD1-CG2 4.3Å; I904-T953 HydrophobicContact CG1-CG2 3.85Å; V949-T953 VanDerWaalsContact O-CB 3.25Å; V949-T953 WeakPolarHBondContact O-CB 3.32Å; V949-T953 PolarHBondContact O-N 2.98Å; V949-T953 PolarHBondContact O-OG1 3.01Å; V950-T953 PolarHBondContact O-N 2.84Å; A951-T953 VanDerWaalsContact C-N 3.3Å; A951-T953 PolarHBondContact O-N 3.44Å; T953-G956 PolarHBondContact O-N 3.23Å; T953-Q957 PolarHBondContact O-N 3.13Å |
| 954 | K | 88.6 | Confident | 83.2 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 175.3 | -72.8 | -178.2 | 176.5 | -174.1 | 0 | 112.4 | I904 V950 A951 G956 Q957 E958 | I904-K954 HydrophobicContact CD1-CG 3.82Å; V950-K954 HydrophobicContact CG1-CD 4.22Å; V950-K954 HydrophobicContact CG1-CG 4.48Å; V950-K954 WeakPolarHBondContact O-CG 3.43Å; V950-K954 PolarHBondContact O-N 3.3Å; A951-K954 PolarHBondContact O-N 2.98Å; K954-G956 PolarHBondContact O-N 3.37Å; K954-Q957 WeakPolarHBondContact O-CB 3.18Å; K954-Q957 PolarHBondContact O-N 3.47Å; K954-E958 PolarHBondContact O-N 2.92Å; K954-E958 VanDerWaalsContact O-N 3.08Å |
| 955 | S | 87.4 | Confident | 81.3 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 25% | 0.245 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | A951 Q959 | A951-S955 VanDerWaalsContact O-CB 3.31Å; A951-S955 WeakPolarHBondContact O-CB 3.33Å; A951-S955 PolarHBondContact O-N 3.28Å; S955-Q959 WeakPolarHBondContact O-CB 3.46Å; S955-Q959 VanDerWaalsContact O-CG 3.27Å; S955-Q959 WeakPolarHBondContact O-CG 3.4Å; S955-Q959 PolarHBondContact O-N 3.03Å; S955-Q959 PolarHBondContact OG-NE2 2.79Å |
| 956 | G | 84.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S952 T953 K954 Q959 I960 | S952-G956 PolarHBondContact O-N 3.28Å; T953-G956 PolarHBondContact O-N 3.23Å; K954-G956 PolarHBondContact O-N 3.37Å; G956-Q959 PolarHBondContact O-N 3.36Å; G956-I960 PolarHBondContact O-N 2.87Å; G956-I960 VanDerWaalsContact O-N 3.15Å |
| 957 | Q | 85.3 | Confident | 78 | Confident | 29 Ų | 29 | 81.2 Ų | 81.2 | 14% | 0.136 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.3 | -50.7 | 174.4 | -178 | 172.7 | 11.1 | 0 | 0 | 110.9 | Y900 E901 T953 K954 Q959 I960 E961 | Y900-Q957 HydrophobicContact CD1-CB 4.16Å; Y900-Q957 HydrophobicContact CD2-CB 4.13Å; Y900-Q957 HydrophobicContact CD2-CG 4.17Å; Y900-Q957 HydrophobicContact CG-CB 3.89Å; Y900-Q957 HydrophobicContact CG-CG 4.27Å; E901-Q957 PolarHBondContact OE1-NE2 3.27Å; T953-Q957 PolarHBondContact O-N 3.13Å; K954-Q957 WeakPolarHBondContact O-CB 3.18Å; K954-Q957 PolarHBondContact O-N 3.47Å; Q957-Q959 VanDerWaalsContact C-N 3.25Å; Q957-Q959 PolarHBondContact O-N 3.11Å; Q957-I960 PolarHBondContact O-N 3.46Å; Q957-E961 VanDerWaalsContact CG-CD 3.48Å; Q957-E961 HydrophobicContact CG-CG 4.11Å; Q957-E961 VanDerWaalsContact CG-OE1 3.23Å; Q957-E961 WeakPolarHBondContact CG-OE1 3.45Å; Q957-E961 PolarHBondContact NE2-OE1 3.28Å; Q957-E961 WeakPolarHBondContact O-CB 3.41Å; Q957-E961 WeakPolarHBondContact O-CG 3.26Å; Q957-E961 PolarHBondContact O-N 3.02Å |
| 958 | E | 81.9 | Confident | 76.9 | Confident | 151 Ų | 151 | 84.2 Ų | 84.2 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.9 | -27.7 | 179.4 | -68.8 | 173.2 | -177.1 | 0 | 0 | 114.2 | K954 | K954-E958 PolarHBondContact O-N 2.92Å; K954-E958 VanDerWaalsContact O-N 3.08Å |
| 959 | Q | 78.8 | Confident | 75.6 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 40% | 0.402 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -86.9 | -19.3 | -178.7 | -74.4 | 172.1 | 14.1 | 0 | 0 | 113.3 | V815 V819 S955 G956 Q957 | V815-Q959 HydrophobicContact CG1-CB 4.38Å; V819-Q959 HydrophobicContact CG2-CB 3.91Å; S955-Q959 WeakPolarHBondContact O-CB 3.46Å; S955-Q959 VanDerWaalsContact O-CG 3.27Å; S955-Q959 WeakPolarHBondContact O-CG 3.4Å; S955-Q959 PolarHBondContact O-N 3.03Å; S955-Q959 PolarHBondContact OG-NE2 2.79Å; G956-Q959 PolarHBondContact O-N 3.36Å; Q957-Q959 VanDerWaalsContact C-N 3.25Å; Q957-Q959 PolarHBondContact O-N 3.11Å |
| 960 | I | 75 | Confident | 74.2 | Confident | 49 Ų | 49 | 88.9 Ų | 88.9 | 25% | 0.251 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -107.3 | -27.2 | -178.6 | -69 | 176.5 | 0 | 0 | 0 | 111.9 | K816 V819 Y900 G956 Q957 D962 | K816-I960 HydrophobicContact CG-CD1 4.28Å; V819-I960 HydrophobicContact CB-CD1 3.79Å; V819-I960 HydrophobicContact CB-CG1 4.39Å; V819-I960 HydrophobicContact CG1-CD1 3.53Å; V819-I960 HydrophobicContact CG1-CG1 4.31Å; V819-I960 HydrophobicContact CG2-CD1 4.2Å; V819-I960 HydrophobicContact CG2-CG1 4.26Å; Y900-I960 VanDerWaalsContact OH-CD1 3.29Å; Y900-I960 WeakPolarHBondContact OH-CD1 3.45Å; G956-I960 PolarHBondContact O-N 2.87Å; G956-I960 VanDerWaalsContact O-N 3.15Å; Q957-I960 PolarHBondContact O-N 3.46Å; I960-D962 PolarHBondContact O-N 3.42Å; I960-D962 VanDerWaalsContact O-N 3.11Å |
| 961 | E | 68.6 | Low | 73.3 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -67.9 | 108.3 | 172.9 | -77.3 | -178.8 | 177.3 | 0 | 0 | 110 | Q957 R963 | Q957-E961 VanDerWaalsContact CG-CD 3.48Å; Q957-E961 HydrophobicContact CG-CG 4.11Å; Q957-E961 VanDerWaalsContact CG-OE1 3.23Å; Q957-E961 WeakPolarHBondContact CG-OE1 3.45Å; Q957-E961 PolarHBondContact NE2-OE1 3.28Å; Q957-E961 WeakPolarHBondContact O-CB 3.41Å; Q957-E961 WeakPolarHBondContact O-CG 3.26Å; Q957-E961 PolarHBondContact O-N 3.02Å; E961-R963 PolarHBondContact O-N 3.03Å |
| 962 | D | 56.8 | Low | 72.7 | Confident | 157 Ų | 157 | 91.5 Ų | 91.5 | 84% | 0.84 | 49% | 0.487 | S | S | * | . | trans | -58.4 | 103.9 | 164.4 | -91.2 | -29.1 | 0 | 0 | 0 | 107.3 | I960 D964 | I960-D962 PolarHBondContact O-N 3.42Å; I960-D962 VanDerWaalsContact O-N 3.11Å; D962-D964 VanDerWaalsContact C-N 3.33Å; D962-D964 PolarHBondContact O-N 2.87Å | ||
| 963 | R | 54.5 | Low | 71.7 | Confident | 227 Ų | 227 | 97.6 Ų | 97.6 | 86% | 0.857 | 52% | 0.517 | S | S | * | . | trans | -62.3 | 104.4 | 162.7 | -75.1 | -179 | 77 | 179.7 | 6.4 | 105.4 | E961 T965 | E961-R963 PolarHBondContact O-N 3.03Å; R963-T965 PolarHBondContact O-N 3.49Å | ||
| 964 | D | 52.9 | Low | 71 | Confident | 151 Ų | 151 | 104.3 Ų | 104.3 | 81% | 0.807 | 55% | 0.551 | S | S | * | * | trans | -48.1 | 97.6 | 163.4 | -84.3 | -29.3 | 0 | 0 | 0 | 106.7 | D962 M966 | D962-D964 VanDerWaalsContact C-N 3.33Å; D962-D964 PolarHBondContact O-N 2.87Å; D964-M966 PolarHBondContact O-N 2.9Å | ||
| 965 | T | 54.4 | Low | 70.5 | Confident | 126 Ų | 126 | 105.8 Ų | 105.8 | 77% | 0.773 | 56% | 0.558 | S | S | * | * | trans | -64.9 | 107 | 174.9 | 32.3 | 0 | 0 | 0 | 0 | 104 | R963 D967 | R963-T965 PolarHBondContact O-N 3.49Å; T965-D967 VanDerWaalsContact C-N 3.28Å; T965-D967 PolarHBondContact O-N 3.33Å | ||
| 966 | M | 58.7 | Low | 70.2 | Confident | 149 Ų | 149 | 107.3 Ų | 107.3 | 73% | 0.734 | 56% | 0.563 | S | S | * | * | trans | -59.3 | 95.2 | -175.6 | -67.7 | -166.4 | -84.4 | 0 | 0 | 108.9 | D964 F968 | D964-M966 PolarHBondContact O-N 2.9Å; M966-F968 HydrophobicContact CB-CD2 4.29Å; M966-F968 HydrophobicContact CB-CE1 4.14Å; M966-F968 HydrophobicContact CB-CE2 3.49Å; M966-F968 VanDerWaalsContact CB-CE2 3.49Å; M966-F968 HydrophobicContact CB-CZ 3.42Å; M966-F968 VanDerWaalsContact CB-CZ 3.42Å; M966-F968 HydrophobicContact CE-CZ 4.3Å; M966-F968 HydrophobicContact CG-CZ 4.18Å; M966-F968 WeakPolarHBondContact O-CD2 3.44Å; M966-F968 WeakPolarHBondContact O-CE2 3.37Å; M966-F968 PolarHBondContact O-N 2.83Å; M966-F968 HydrophobicContact SD-CE1 4.49Å; M966-F968 HydrophobicContact SD-CZ 3.76Å | ||
| 967 | D | 62 | Low | 69.8 | Low | 115 Ų | 115 | 113 Ų | 113 | 62% | 0.615 | 59% | 0.588 | S | S | * | * | trans | -86 | 98.8 | -179.8 | -173.8 | 5 | 0 | 0 | 0 | 108.3 | T965 S969 | T965-D967 VanDerWaalsContact C-N 3.28Å; T965-D967 PolarHBondContact O-N 3.33Å; D967-S969 WeakPolarHBondContact OD1-CB 3.37Å; D967-S969 PolarHBondContact OD1-N 2.92Å; D967-S969 PolarHBondContact OD1-OG 2.95Å; D967-S969 PolarHBondContact OD2-OG 3.38Å | ||
| 968 | F | 69.4 | Low | 69.6 | Low | 115 Ų | 115 | 117.3 Ų | 117.3 | 50% | 0.504 | 61% | 0.606 | S | S | . | * | trans | -84.3 | -0.9 | 177 | -56.2 | -72.1 | 0 | 0 | 0 | 112.5 | M966 G970 L971 L976 | M966-F968 HydrophobicContact CB-CD2 4.29Å; M966-F968 HydrophobicContact CB-CE1 4.14Å; M966-F968 HydrophobicContact CB-CE2 3.49Å; M966-F968 VanDerWaalsContact CB-CE2 3.49Å; M966-F968 HydrophobicContact CB-CZ 3.42Å; M966-F968 VanDerWaalsContact CB-CZ 3.42Å; M966-F968 HydrophobicContact CE-CZ 4.3Å; M966-F968 HydrophobicContact CG-CZ 4.18Å; M966-F968 WeakPolarHBondContact O-CD2 3.44Å; M966-F968 WeakPolarHBondContact O-CE2 3.37Å; M966-F968 PolarHBondContact O-N 2.83Å; M966-F968 HydrophobicContact SD-CE1 4.49Å; M966-F968 HydrophobicContact SD-CZ 3.76Å; F968-G970 PolarHBondContact O-N 3.42Å; F968-L971 HydrophobicContact CD1-CD1 4.46Å; F968-L971 PolarHBondContact O-N 3.38Å; F968-L976 HydrophobicContact CD1-CD1 3.64Å; F968-L976 HydrophobicContact CE1-CD1 3.94Å | ||
| 969 | S | 66.1 | Low | 69.7 | Low | 99 Ų | 99 | 114.1 Ų | 114.1 | 69% | 0.692 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 96 | -175.9 | 72.7 | 0 | 0 | 0 | 0 | 110.8 | D967 | D967-S969 WeakPolarHBondContact OD1-CB 3.37Å; D967-S969 PolarHBondContact OD1-N 2.92Å; D967-S969 PolarHBondContact OD1-OG 2.95Å; D967-S969 PolarHBondContact OD2-OG 3.38Å |
| 970 | G | 66.3 | Low | 69.8 | Low | 79 Ų | 79 | 113.8 Ų | 113.8 | 81% | 0.814 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.7 | -3.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F968 | F968-G970 PolarHBondContact O-N 3.42Š|
| 971 | L | 74.9 | Confident | 70 | Confident | 62 Ų | 62 | 117 Ų | 117 | 33% | 0.325 | 60% | 0.604 | S | S | . | * | trans | -89.8 | 132.3 | 177.7 | -68.2 | 165.3 | 0 | 0 | 0 | 111.5 | F968 K975 L976 | F968-L971 HydrophobicContact CD1-CD1 4.46Å; F968-L971 PolarHBondContact O-N 3.38Å; L971-K975 HydrophobicContact CD2-CB 4.11Å; L971-K975 HydrophobicContact CD2-CD 4.45Å; L971-L976 HydrophobicContact CD1-CD1 4.35Å | ||
| 972 | S | 76.1 | Confident | 70.7 | Confident | 61 Ų | 61 | 116.4 Ų | 116.4 | 43% | 0.427 | 60% | 0.602 | S | S | . | * | trans | -74.3 | 155.4 | 169.4 | 71.1 | 0 | 0 | 0 | 0 | 110.6 | I974 K975 L976 | S972-I974 PolarHBondContact O-N 2.87Å; S972-I974 VanDerWaalsContact O-N 3.1Å; S972-K975 WeakPolarHBondContact O-CA 3.36Å; S972-K975 PolarHBondContact O-N 2.92Å; S972-K975 PolarHBondContact OG-N 3.07Å; S972-L976 PolarHBondContact O-N 3.48Å | ||
| 973 | L | 72.6 | Confident | 72 | Confident | 148 Ų | 148 | 113.1 Ų | 113.1 | 78% | 0.775 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -51.5 | -38.3 | -179.3 | -174.3 | 67 | 0 | 0 | 0 | 113.1 | K977 | L973-K977 WeakPolarHBondContact O-CB 3.4Å; L973-K977 PolarHBondContact O-N 2.72Å |
| 974 | I | 76.8 | Confident | 72.8 | Confident | 140 Ų | 140 | 107.3 Ų | 107.3 | 72% | 0.718 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71 | -39.3 | 178.5 | -60.7 | 172.5 | 0 | 0 | 0 | 111.2 | S972 K977 K978 | S972-I974 PolarHBondContact O-N 2.87Å; S972-I974 VanDerWaalsContact O-N 3.1Å; I974-K977 PolarHBondContact O-N 3.43Å; I974-K978 WeakPolarHBondContact O-CB 3.42Å; I974-K978 PolarHBondContact O-N 3.41Å |
| 975 | K | 76.2 | Confident | 74.4 | Confident | 130 Ų | 130 | 103.7 Ų | 103.7 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.8 | -38.3 | 176 | -74.8 | -177.6 | 177.6 | -178.1 | 0 | 111.5 | L971 S972 K978 Q979 | L971-K975 HydrophobicContact CD2-CB 4.11Å; L971-K975 HydrophobicContact CD2-CD 4.45Å; S972-K975 WeakPolarHBondContact O-CA 3.36Å; S972-K975 PolarHBondContact O-N 2.92Å; S972-K975 PolarHBondContact OG-N 3.07Å; K975-K978 PolarHBondContact O-N 3.2Å; K975-Q979 PolarHBondContact O-N 3.41Å |
| 976 | L | 81.6 | Confident | 75.9 | Confident | 67 Ų | 67 | 104.3 Ų | 104.3 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 175.1 | -171.7 | 67.2 | 0 | 0 | 0 | 111.3 | F968 L971 S972 K978 Q979 E980 | F968-L976 HydrophobicContact CD1-CD1 3.64Å; F968-L976 HydrophobicContact CE1-CD1 3.94Å; L971-L976 HydrophobicContact CD1-CD1 4.35Å; S972-L976 PolarHBondContact O-N 3.48Å; L976-K978 VanDerWaalsContact C-N 3.31Å; L976-K978 PolarHBondContact O-N 2.93Å; L976-Q979 PolarHBondContact O-N 3.48Å; L976-E980 WeakPolarHBondContact O-CB 3.48Å; L976-E980 PolarHBondContact O-N 3.48Å |
| 977 | K | 76.4 | Confident | 76.9 | Confident | 121 Ų | 121 | 100.4 Ų | 100.4 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 176.5 | -164.4 | 73.5 | -160.5 | 163.4 | 0 | 112.5 | L973 I974 E980 M981 | L973-K977 WeakPolarHBondContact O-CB 3.4Å; L973-K977 PolarHBondContact O-N 2.72Å; I974-K977 PolarHBondContact O-N 3.43Å; K977-E980 WeakPolarHBondContact CD-OE2 3.11Å; K977-E980 WeakPolarHBondContact CE-OE2 3.2Å; K977-E980 IonicContact NZ-OE1 2.93Å; K977-E980 PolarHBondContact NZ-OE1 3.46Å; K977-E980 IonicContact NZ-OE2 2.67Å; K977-E980 PolarHBondContact NZ-OE2 2.97Å; K977-M981 PolarHBondContact O-N 3.01Å |
| 978 | K | 82.5 | Confident | 77.6 | Confident | 119 Ų | 119 | 100.4 Ų | 100.4 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 173.4 | -179.6 | 177.6 | 168.2 | 179.1 | 0 | 111.4 | I974 K975 L976 M981 E982 | I974-K978 WeakPolarHBondContact O-CB 3.42Å; I974-K978 PolarHBondContact O-N 3.41Å; K975-K978 PolarHBondContact O-N 3.2Å; L976-K978 VanDerWaalsContact C-N 3.31Å; L976-K978 PolarHBondContact O-N 2.93Å; K978-M981 PolarHBondContact O-N 2.92Å; K978-E982 WeakPolarHBondContact CE-OE1 2.84Å; K978-E982 IonicContact NZ-OE1 3.97Å; K978-E982 WeakPolarHBondContact O-CG 3.3Å; K978-E982 PolarHBondContact O-N 3.39Å |
| 979 | Q | 82.5 | Confident | 78.3 | Confident | 83 Ų | 83 | 99.3 Ų | 99.3 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.8 | -78.9 | -178.5 | -28.7 | 0 | 0 | 112 | K975 L976 M981 E982 T983 | K975-Q979 PolarHBondContact O-N 3.41Å; L976-Q979 PolarHBondContact O-N 3.48Å; Q979-M981 VanDerWaalsContact C-N 3.32Å; Q979-M981 PolarHBondContact O-N 3.17Å; Q979-E982 PolarHBondContact O-N 3.48Å; Q979-T983 WeakPolarHBondContact O-CB 3.47Å; Q979-T983 PolarHBondContact O-N 3.1Å; Q979-T983 PolarHBondContact O-OG1 3.26Å |
| 980 | E | 81 | Confident | 79.3 | Confident | 79 Ų | 79 | 99 Ų | 99 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 173.9 | -174.9 | -165 | 147.9 | 0 | 0 | 111.3 | L976 K977 T983 Q984 | L976-E980 WeakPolarHBondContact O-CB 3.48Å; L976-E980 PolarHBondContact O-N 3.48Å; K977-E980 WeakPolarHBondContact CD-OE2 3.11Å; K977-E980 WeakPolarHBondContact CE-OE2 3.2Å; K977-E980 IonicContact NZ-OE1 2.93Å; K977-E980 PolarHBondContact NZ-OE1 3.46Å; K977-E980 IonicContact NZ-OE2 2.67Å; K977-E980 PolarHBondContact NZ-OE2 2.97Å; E980-T983 PolarHBondContact O-N 2.83Å; E980-Q984 WeakPolarHBondContact O-CG 3.33Å; E980-Q984 PolarHBondContact O-N 3.27Å; E980-Q984 PolarHBondContact OE1-NE2 3.14Å |
| 981 | M | 79.2 | Confident | 79.8 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -40.7 | 177.9 | -169.2 | 170.8 | 70.1 | 0 | 0 | 112 | K977 K978 Q979 Q984 V985 | K977-M981 PolarHBondContact O-N 3.01Å; K978-M981 PolarHBondContact O-N 2.92Å; Q979-M981 VanDerWaalsContact C-N 3.32Å; Q979-M981 PolarHBondContact O-N 3.17Å; M981-Q984 PolarHBondContact O-N 2.91Å; M981-V985 WeakPolarHBondContact O-CG2 3.43Å; M981-V985 PolarHBondContact O-N 3.47Å |
| 982 | E | 83.8 | Confident | 80.3 | Confident | 100 Ų | 100 | 105.7 Ų | 105.7 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 174.3 | -73.7 | 171.4 | 172 | 0 | 0 | 111.8 | K978 Q979 V985 R986 | K978-E982 WeakPolarHBondContact CE-OE1 2.84Å; K978-E982 IonicContact NZ-OE1 3.97Å; K978-E982 WeakPolarHBondContact O-CG 3.3Å; K978-E982 PolarHBondContact O-N 3.39Å; Q979-E982 PolarHBondContact O-N 3.48Å; E982-V985 PolarHBondContact O-N 3.46Å; E982-R986 WeakPolarHBondContact O-CB 3.25Å; E982-R986 PolarHBondContact O-N 2.9Å |
| 983 | T | 83.8 | Confident | 80.9 | Confident | 88 Ų | 88 | 106.6 Ų | 106.6 | 54% | 0.54 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 173.5 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | Q979 E980 V985 R986 V987 | Q979-T983 WeakPolarHBondContact O-CB 3.47Å; Q979-T983 PolarHBondContact O-N 3.1Å; Q979-T983 PolarHBondContact O-OG1 3.26Å; E980-T983 PolarHBondContact O-N 2.83Å; T983-V985 PolarHBondContact O-N 3.48Å; T983-R986 WeakPolarHBondContact O-CB 3.48Å; T983-R986 PolarHBondContact O-N 3.19Å; T983-R986 VanDerWaalsContact O-N 3.14Å; T983-V987 WeakPolarHBondContact O-CG2 3.41Å; T983-V987 PolarHBondContact O-N 3.33Å |
| 984 | Q | 71.5 | Confident | 81.2 | Confident | 105 Ų | 105 | 103.9 Ų | 103.9 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 174.8 | -76.4 | 171.5 | -0.9 | 0 | 0 | 112.1 | E980 M981 R986 V987 L988 | E980-Q984 WeakPolarHBondContact O-CG 3.33Å; E980-Q984 PolarHBondContact O-N 3.27Å; E980-Q984 PolarHBondContact OE1-NE2 3.14Å; M981-Q984 PolarHBondContact O-N 2.91Å; Q984-R986 VanDerWaalsContact C-N 3.3Å; Q984-R986 PolarHBondContact O-N 2.98Å; Q984-V987 PolarHBondContact O-N 2.73Å; Q984-L988 WeakPolarHBondContact O-CG 3.24Å; Q984-L988 PolarHBondContact O-N 3.16Å; Q984-L988 VanDerWaalsContact O-N 3.15Å |
| 985 | V | 87.6 | Confident | 81.3 | Confident | 75 Ų | 75 | 101.9 Ų | 101.9 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 172.7 | 172 | 0 | 0 | 0 | 0 | 110.3 | M981 E982 T983 V987 L988 E989 | M981-V985 WeakPolarHBondContact O-CG2 3.43Å; M981-V985 PolarHBondContact O-N 3.47Å; E982-V985 PolarHBondContact O-N 3.46Å; T983-V985 PolarHBondContact O-N 3.48Å; V985-V987 VanDerWaalsContact C-N 3.32Å; V985-V987 PolarHBondContact O-N 3.32Å; V985-L988 PolarHBondContact O-N 3.5Å; V985-E989 WeakPolarHBondContact O-CG 3.24Å; V985-E989 PolarHBondContact O-N 2.88Å |
| 986 | R | 84.4 | Confident | 81.6 | Confident | 139 Ų | 139 | 98.4 Ų | 98.4 | 53% | 0.525 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 178.6 | -172.2 | 56.4 | 175.8 | 178.9 | 1.4 | 112.9 | E982 T983 Q984 E989 L990 | E982-R986 WeakPolarHBondContact O-CB 3.25Å; E982-R986 PolarHBondContact O-N 2.9Å; T983-R986 WeakPolarHBondContact O-CB 3.48Å; T983-R986 PolarHBondContact O-N 3.19Å; T983-R986 VanDerWaalsContact O-N 3.14Å; Q984-R986 VanDerWaalsContact C-N 3.3Å; Q984-R986 PolarHBondContact O-N 2.98Å; R986-E989 IonicContact CZ-OE2 3.38Å; R986-E989 IonicContact NH1-OE2 2.76Å; R986-E989 PolarHBondContact NH1-OE2 3.36Å; R986-E989 PolarHBondContact O-N 3.25Å; R986-L990 HydrophobicContact CG-CD1 4.16Å; R986-L990 WeakPolarHBondContact O-CB 3.28Å; R986-L990 VanDerWaalsContact O-CG 3.26Å; R986-L990 WeakPolarHBondContact O-CG 3.29Å; R986-L990 PolarHBondContact O-N 2.99Å |
| 987 | V | 79.9 | Confident | 81.8 | Confident | 68 Ų | 68 | 100 Ų | 100 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 173.8 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | T983 Q984 V985 E989 L990 E991 | T983-V987 WeakPolarHBondContact O-CG2 3.41Å; T983-V987 PolarHBondContact O-N 3.33Å; Q984-V987 PolarHBondContact O-N 2.73Å; V985-V987 VanDerWaalsContact C-N 3.32Å; V985-V987 PolarHBondContact O-N 3.32Å; V987-E989 VanDerWaalsContact C-N 3.32Å; V987-E989 PolarHBondContact O-N 3.04Å; V987-L990 PolarHBondContact O-N 2.88Å; V987-L990 VanDerWaalsContact O-N 3.12Å; V987-E991 HydrophobicContact CG1-CG 4.38Å; V987-E991 WeakPolarHBondContact O-CG 3.47Å; V987-E991 PolarHBondContact O-N 3.43Å |
| 988 | L | 77.6 | Confident | 81.8 | Confident | 114 Ų | 114 | 101.1 Ų | 101.1 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -38.4 | 179.4 | -67.5 | 171.8 | 0 | 0 | 0 | 112.6 | Q984 V985 K992 | Q984-L988 WeakPolarHBondContact O-CG 3.24Å; Q984-L988 PolarHBondContact O-N 3.16Å; Q984-L988 VanDerWaalsContact O-N 3.15Å; V985-L988 PolarHBondContact O-N 3.5Å; L988-K992 WeakPolarHBondContact O-CB 3.48Å; L988-K992 PolarHBondContact O-N 3.31Å; L988-K992 VanDerWaalsContact O-N 3.09Å |
| 989 | E | 83.9 | Confident | 81.6 | Confident | 93 Ų | 93 | 100.8 Ų | 100.8 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 173.9 | -72.8 | -179.8 | 168.2 | 0 | 0 | 112.2 | V985 R986 V987 T993 | V985-E989 WeakPolarHBondContact O-CG 3.24Å; V985-E989 PolarHBondContact O-N 2.88Å; R986-E989 IonicContact CZ-OE2 3.38Å; R986-E989 IonicContact NH1-OE2 2.76Å; R986-E989 PolarHBondContact NH1-OE2 3.36Å; R986-E989 PolarHBondContact O-N 3.25Å; V987-E989 VanDerWaalsContact C-N 3.32Å; V987-E989 PolarHBondContact O-N 3.04Å; E989-T993 WeakPolarHBondContact O-CB 3.43Å; E989-T993 PolarHBondContact O-N 3.3Å; E989-T993 PolarHBondContact O-OG1 3.25Å |
| 990 | L | 86.9 | Confident | 81.8 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 179.3 | -72.4 | 172.1 | 0 | 0 | 0 | 111.6 | R986 V987 T993 L994 | R986-L990 HydrophobicContact CG-CD1 4.16Å; R986-L990 WeakPolarHBondContact O-CB 3.28Å; R986-L990 VanDerWaalsContact O-CG 3.26Å; R986-L990 WeakPolarHBondContact O-CG 3.29Å; R986-L990 PolarHBondContact O-N 2.99Å; V987-L990 PolarHBondContact O-N 2.88Å; V987-L990 VanDerWaalsContact O-N 3.12Å; L990-T993 PolarHBondContact O-N 2.91Å; L990-L994 WeakPolarHBondContact O-CB 3.46Å; L990-L994 PolarHBondContact O-N 3.45Å |
| 991 | E | 76 | Confident | 81.3 | Confident | 114 Ų | 114 | 103.6 Ų | 103.6 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 174.3 | -74 | 176.5 | 164.5 | 0 | 0 | 111.7 | V987 T993 L994 E995 | V987-E991 HydrophobicContact CG1-CG 4.38Å; V987-E991 WeakPolarHBondContact O-CG 3.47Å; V987-E991 PolarHBondContact O-N 3.43Å; E991-T993 VanDerWaalsContact C-N 3.32Å; E991-T993 PolarHBondContact O-N 3.38Å; E991-L994 PolarHBondContact O-N 3.07Å; E991-E995 PolarHBondContact O-N 3.05Å |
| 992 | K | 86.7 | Confident | 80.8 | Confident | 166 Ų | 166 | 99.9 Ų | 99.9 | 72% | 0.722 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 176 | -176.5 | 179.9 | 178.6 | -178.7 | 0 | 112.1 | L988 A996 | L988-K992 WeakPolarHBondContact O-CB 3.48Å; L988-K992 PolarHBondContact O-N 3.31Å; L988-K992 VanDerWaalsContact O-N 3.09Å; K992-A996 PolarHBondContact O-N 3.32Å; K992-A996 VanDerWaalsContact O-N 3.15Å |
| 993 | T | 87.2 | Confident | 80.5 | Confident | 80 Ų | 80 | 100.6 Ų | 100.6 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 179.2 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | E989 L990 E991 A996 E997 | E989-T993 WeakPolarHBondContact O-CB 3.43Å; E989-T993 PolarHBondContact O-N 3.3Å; E989-T993 PolarHBondContact O-OG1 3.25Å; L990-T993 PolarHBondContact O-N 2.91Å; E991-T993 VanDerWaalsContact C-N 3.32Å; E991-T993 PolarHBondContact O-N 3.38Å; T993-A996 PolarHBondContact O-N 3.21Å; T993-E997 PolarHBondContact O-N 2.9Å |
| 994 | L | 80.1 | Confident | 80 | Confident | 91 Ų | 91 | 100.8 Ų | 100.8 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 175.6 | 178.4 | 65 | 0 | 0 | 0 | 111.5 | L990 E991 A996 E997 R998 | L990-L994 WeakPolarHBondContact O-CB 3.46Å; L990-L994 PolarHBondContact O-N 3.45Å; E991-L994 PolarHBondContact O-N 3.07Å; L994-A996 VanDerWaalsContact C-N 3.34Å; L994-A996 PolarHBondContact O-N 3.3Å; L994-E997 PolarHBondContact O-N 3.46Å; L994-R998 WeakPolarHBondContact O-CG 3.14Å; L994-R998 PolarHBondContact O-N 2.91Å |
| 995 | E | 78.1 | Confident | 79.9 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 178.1 | -169.6 | 58.2 | -153.5 | 0 | 0 | 111.6 | E991 R998 M999 | E991-E995 PolarHBondContact O-N 3.05Å; E995-R998 PolarHBondContact O-N 3.3Å; E995-M999 WeakPolarHBondContact O-CG 3.32Å; E995-M999 PolarHBondContact O-N 3.19Å |
| 996 | A | 84.1 | Confident | 79 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K992 T993 L994 M999 R1000 | K992-A996 PolarHBondContact O-N 3.32Å; K992-A996 VanDerWaalsContact O-N 3.15Å; T993-A996 PolarHBondContact O-N 3.21Å; L994-A996 VanDerWaalsContact C-N 3.34Å; L994-A996 PolarHBondContact O-N 3.3Å; A996-M999 PolarHBondContact O-N 3.05Å; A996-R1000 WeakPolarHBondContact O-CB 3.48Å; A996-R1000 PolarHBondContact O-N 3.31Å |
| 997 | E | 85.2 | Confident | 78.3 | Confident | 100 Ų | 100 | 104.9 Ų | 104.9 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -33.7 | 177.2 | -72.3 | -60.4 | 148.6 | 0 | 0 | 112.4 | T993 L994 R1000 L1001 | T993-E997 PolarHBondContact O-N 2.9Å; L994-E997 PolarHBondContact O-N 3.46Å; E997-R1000 PolarHBondContact O-N 3.45Å; E997-R1000 IonicContact OE1-NH1 3.18Å; E997-L1001 VanDerWaalsContact O-CB 3.3Å; E997-L1001 WeakPolarHBondContact O-CB 2.73Å; E997-L1001 PolarHBondContact O-N 3.46Å |
| 998 | R | 76.3 | Confident | 77.6 | Confident | 144 Ų | 144 | 107.5 Ų | 107.5 | 54% | 0.543 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 172.2 | -78.1 | 175.8 | 172.4 | 174.7 | -2 | 112.2 | L994 E995 L1001 G1002 | L994-R998 WeakPolarHBondContact O-CG 3.14Å; L994-R998 PolarHBondContact O-N 2.91Å; E995-R998 PolarHBondContact O-N 3.3Å; R998-L1001 PolarHBondContact O-N 3.41Å; R998-G1002 PolarHBondContact O-N 3.5Å |
| 999 | M | 78.2 | Confident | 76.5 | Confident | 112 Ų | 112 | 110.2 Ų | 110.2 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.7 | -47.3 | 175.7 | -74 | -62.9 | -66.2 | 0 | 0 | 111.3 | E995 A996 L1001 G1002 E1003 | E995-M999 WeakPolarHBondContact O-CG 3.32Å; E995-M999 PolarHBondContact O-N 3.19Å; A996-M999 PolarHBondContact O-N 3.05Å; M999-L1001 PolarHBondContact O-N 3.22Å; M999-G1002 WeakPolarHBondContact O-CA 3.49Å; M999-G1002 PolarHBondContact O-N 3.16Å; M999-G1002 VanDerWaalsContact O-N 3.12Å; M999-E1003 PolarHBondContact O-N 2.76Å |
| 1000 | R | 85.8 | Confident | 75.4 | Confident | 140 Ų | 140 | 110.3 Ų | 110.3 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 176.5 | -172.4 | -177.5 | -178.2 | -174.7 | 0.8 | 112.5 | A996 E997 G1002 E1003 L1004 | A996-R1000 WeakPolarHBondContact O-CB 3.48Å; A996-R1000 PolarHBondContact O-N 3.31Å; E997-R1000 PolarHBondContact O-N 3.45Å; E997-R1000 IonicContact OE1-NH1 3.18Å; R1000-G1002 VanDerWaalsContact C-N 3.31Å; R1000-G1002 PolarHBondContact O-N 3.06Å; R1000-E1003 PolarHBondContact O-N 2.69Å; R1000-L1004 HydrophobicContact CG-CD1 4.45Å; R1000-L1004 WeakPolarHBondContact O-CG 3.45Å; R1000-L1004 PolarHBondContact O-N 3.41Å |
| 1001 | L | 71 | Confident | 74.1 | Confident | 82 Ų | 82 | 111.9 Ų | 111.9 | 43% | 0.429 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 174.3 | 179.8 | 63.2 | 0 | 0 | 0 | 111.4 | E997 R998 M999 L1004 R1005 | E997-L1001 VanDerWaalsContact O-CB 3.3Å; E997-L1001 WeakPolarHBondContact O-CB 2.73Å; E997-L1001 PolarHBondContact O-N 3.46Å; R998-L1001 PolarHBondContact O-N 3.41Å; M999-L1001 PolarHBondContact O-N 3.22Å; L1001-L1004 PolarHBondContact O-N 3.3Å; L1001-R1005 WeakPolarHBondContact O-CB 3.28Å; L1001-R1005 WeakPolarHBondContact O-CG 3.43Å; L1001-R1005 PolarHBondContact O-N 2.93Å |
| 1002 | G | 68.9 | Low | 72.9 | Confident | 38 Ų | 38 | 109.4 Ų | 109.4 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R998 M999 R1000 R1005 K1006 | R998-G1002 PolarHBondContact O-N 3.5Å; M999-G1002 WeakPolarHBondContact O-CA 3.49Å; M999-G1002 PolarHBondContact O-N 3.16Å; M999-G1002 VanDerWaalsContact O-N 3.12Å; R1000-G1002 VanDerWaalsContact C-N 3.31Å; R1000-G1002 PolarHBondContact O-N 3.06Å; G1002-R1005 PolarHBondContact O-N 2.97Å; G1002-K1006 WeakPolarHBondContact O-CB 3.42Å; G1002-K1006 PolarHBondContact O-N 3.43Å |
| 1003 | E | 77.6 | Confident | 70.8 | Confident | 114 Ų | 114 | 104.7 Ų | 104.7 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 174.9 | -71.2 | 177.6 | 173.5 | 0 | 0 | 112.3 | M999 R1000 R1005 K1006 Q1007 | M999-E1003 PolarHBondContact O-N 2.76Å; R1000-E1003 PolarHBondContact O-N 2.69Å; E1003-R1005 VanDerWaalsContact C-N 3.35Å; E1003-R1005 PolarHBondContact O-N 3.2Å; E1003-K1006 WeakPolarHBondContact O-CB 3.28Å; E1003-K1006 PolarHBondContact O-N 3.13Å; E1003-Q1007 WeakPolarHBondContact O-CG 3.4Å; E1003-Q1007 PolarHBondContact O-N 3.43Å |
| 1004 | L | 72.2 | Confident | 68.3 | Low | 93 Ų | 93 | 103 Ų | 103 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 175.8 | -75 | 171.5 | 0 | 0 | 0 | 111.5 | R1000 L1001 Q1007 H1008 | R1000-L1004 HydrophobicContact CG-CD1 4.45Å; R1000-L1004 WeakPolarHBondContact O-CG 3.45Å; R1000-L1004 PolarHBondContact O-N 3.41Å; L1001-L1004 PolarHBondContact O-N 3.3Å; L1004-Q1007 PolarHBondContact O-N 3.25Å; L1004-H1008 WeakPolarHBondContact O-CB 3.11Å; L1004-H1008 PolarHBondContact O-N 3.37Å |
| 1005 | R | 70.2 | Confident | 66.1 | Low | 136 Ų | 136 | 104.2 Ų | 104.2 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 174.1 | -75.5 | 174.2 | 173.8 | 172.4 | -1 | 111.4 | L1001 G1002 E1003 Q1007 H1008 Y1009 | L1001-R1005 WeakPolarHBondContact O-CB 3.28Å; L1001-R1005 WeakPolarHBondContact O-CG 3.43Å; L1001-R1005 PolarHBondContact O-N 2.93Å; G1002-R1005 PolarHBondContact O-N 2.97Å; E1003-R1005 VanDerWaalsContact C-N 3.35Å; E1003-R1005 PolarHBondContact O-N 3.2Å; R1005-Q1007 PolarHBondContact O-N 2.74Å; R1005-H1008 WeakPolarHBondContact O-CB 3.33Å; R1005-H1008 PolarHBondContact O-N 2.93Å; R1005-Y1009 WeakPolarHBondContact O-CD2 3.27Å; R1005-Y1009 PolarHBondContact O-N 2.95Å |
| 1006 | K | 68.9 | Low | 64 | Low | 151 Ų | 151 | 102.3 Ų | 102.3 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.4 | -44.4 | 176 | -171.4 | 179.9 | -179.7 | -177.9 | 0 | 111.6 | G1002 E1003 Y1009 V1010 | G1002-K1006 WeakPolarHBondContact O-CB 3.42Å; G1002-K1006 PolarHBondContact O-N 3.43Å; E1003-K1006 WeakPolarHBondContact O-CB 3.28Å; E1003-K1006 PolarHBondContact O-N 3.13Å; K1006-Y1009 PolarHBondContact O-N 2.75Å; K1006-V1010 WeakPolarHBondContact O-CG2 3.37Å; K1006-V1010 PolarHBondContact O-N 3.31Å |
| 1007 | Q | 69.4 | Low | 61.5 | Low | 118 Ų | 118 | 104.5 Ų | 104.5 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.3 | -39.4 | 175.3 | -72.2 | -175.9 | -0.5 | 0 | 0 | 112.2 | E1003 L1004 R1005 Y1009 V1010 L1011 | E1003-Q1007 WeakPolarHBondContact O-CG 3.4Å; E1003-Q1007 PolarHBondContact O-N 3.43Å; L1004-Q1007 PolarHBondContact O-N 3.25Å; R1005-Q1007 PolarHBondContact O-N 2.74Å; Q1007-Y1009 VanDerWaalsContact C-N 3.31Å; Q1007-Y1009 PolarHBondContact O-N 2.91Å; Q1007-V1010 PolarHBondContact O-N 2.91Å; Q1007-V1010 VanDerWaalsContact O-N 3.16Å; Q1007-L1011 WeakPolarHBondContact O-CB 3.36Å; Q1007-L1011 WeakPolarHBondContact O-CG 3.49Å; Q1007-L1011 PolarHBondContact O-N 3.36Å |
| 1008 | H | 65.1 | Low | 59.2 | Low | 122 Ų | 122 | 106.2 Ų | 106.2 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.7 | -42.1 | 174.1 | -179.4 | -97.9 | 0 | 0 | 0 | 111.7 | L1004 R1005 L1011 A1012 | L1004-H1008 WeakPolarHBondContact O-CB 3.11Å; L1004-H1008 PolarHBondContact O-N 3.37Å; R1005-H1008 WeakPolarHBondContact O-CB 3.33Å; R1005-H1008 PolarHBondContact O-N 2.93Å; H1008-L1011 PolarHBondContact O-N 2.94Å; H1008-A1012 WeakPolarHBondContact O-CB 3.36Å; H1008-A1012 PolarHBondContact O-N 2.93Å |
| 1009 | Y | 54.6 | Low | 57.1 | Low | 172 Ų | 172 | 102.5 Ų | 102.5 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67 | -37.4 | 174.3 | -73.1 | -65.3 | 0 | 0 | 0 | 113.4 | R1005 K1006 Q1007 G1013 | R1005-Y1009 WeakPolarHBondContact O-CD2 3.27Å; R1005-Y1009 PolarHBondContact O-N 2.95Å; K1006-Y1009 PolarHBondContact O-N 2.75Å; Q1007-Y1009 VanDerWaalsContact C-N 3.31Å; Q1007-Y1009 PolarHBondContact O-N 2.91Å; Y1009-G1013 PolarHBondContact O-N 3.34Å |
| 1010 | V | 61.3 | Low | 55 | Low | 94 Ų | 94 | 106.4 Ų | 106.4 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.5 | -45.4 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | K1006 Q1007 G1013 A1014 | K1006-V1010 WeakPolarHBondContact O-CG2 3.37Å; K1006-V1010 PolarHBondContact O-N 3.31Å; Q1007-V1010 PolarHBondContact O-N 2.91Å; Q1007-V1010 VanDerWaalsContact O-N 3.16Å; V1010-G1013 CarbonylContact O-C 3.53Å; V1010-G1013 PolarHBondContact O-N 3.45Å; V1010-A1014 WeakPolarHBondContact O-CA 3.4Å; V1010-A1014 WeakPolarHBondContact O-CB 3.48Å; V1010-A1014 PolarHBondContact O-N 3.17Å |
| 1011 | L | 59.9 | Low | 52.4 | Low | 126 Ų | 126 | 108.9 Ų | 108.9 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.6 | -36.9 | 177.6 | -70.9 | 167.9 | 0 | 0 | 0 | 112.5 | Q1007 H1008 G1013 A1014 S1015 | Q1007-L1011 WeakPolarHBondContact O-CB 3.36Å; Q1007-L1011 WeakPolarHBondContact O-CG 3.49Å; Q1007-L1011 PolarHBondContact O-N 3.36Å; H1008-L1011 PolarHBondContact O-N 2.94Å; L1011-G1013 VanDerWaalsContact C-N 3.27Å; L1011-G1013 PolarHBondContact O-N 3.33Å; L1011-A1014 CarbonylContact O-C 3.58Å; L1011-A1014 PolarHBondContact O-N 3.05Å; L1011-S1015 PolarHBondContact O-N 3.32Å |
| 1012 | A | 51.1 | Low | 50.5 | Low | 63 Ų | 63 | 109.3 Ų | 109.3 | 52% | 0.521 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.9 | -24.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1008 | H1008-A1012 WeakPolarHBondContact O-CB 3.36Å; H1008-A1012 PolarHBondContact O-N 2.93Å |
| 1013 | G | 41.4 | Very low | 49.1 | Very low | 67 Ų | 67 | 112.7 Ų | 112.7 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -88.9 | -16.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1009 V1010 L1011 | Y1009-G1013 PolarHBondContact O-N 3.34Å; V1010-G1013 CarbonylContact O-C 3.53Å; V1010-G1013 PolarHBondContact O-N 3.45Å; L1011-G1013 VanDerWaalsContact C-N 3.27Å; L1011-G1013 PolarHBondContact O-N 3.33Å |
| 1014 | A | 35.1 | Very low | 46.8 | Very low | 45 Ų | 45 | 112.8 Ų | 112.8 | 37% | 0.372 | 68% | 0.678 | S | S | . | * | trans | -110.7 | 29.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | V1010 L1011 G1016 | V1010-A1014 WeakPolarHBondContact O-CA 3.4Å; V1010-A1014 WeakPolarHBondContact O-CB 3.48Å; V1010-A1014 PolarHBondContact O-N 3.17Å; L1011-A1014 CarbonylContact O-C 3.58Å; L1011-A1014 PolarHBondContact O-N 3.05Å; A1014-G1016 PolarHBondContact O-N 2.81Å | ||
| 1015 | S | 33.1 | Very low | 44.9 | Very low | 115 Ų | 115 | 117.3 Ų | 117.3 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -68.7 | 60 | 154.4 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | L1011 | L1011-S1015 PolarHBondContact O-N 3.32Š| ||
| 1016 | G | 35.4 | Very low | 43 | Very low | 60 Ų | 60 | 117.1 Ų | 117.1 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -177.3 | 87.4 | -175 | 0 | 0 | 0 | 0 | 0 | 108.1 | A1014 | A1014-G1016 PolarHBondContact O-N 2.81Š|
| 1017 | S | 30.7 | Very low | 40.8 | Very low | 102 Ų | 102 | 115.6 Ų | 115.6 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | 92.8 | 117.6 | 173.2 | -167 | 0 | 0 | 0 | 0 | 118.2 | G1019 | S1017-G1019 PolarHBondContact OG-N 3.3Š| ||
| 1018 | P | 37.7 | Very low | 38.8 | Very low | 136 Ų | 136 | 114.3 Ų | 114.3 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | trans | -105.4 | 113.5 | 131.8 | 29.7 | -17.1 | 0 | 0 | 0 | 108.9 | ||||
| 1019 | G | 30.7 | Very low | 37 | Very low | 66 Ų | 66 | 113 Ų | 113 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | trans | -103.5 | 113.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109 | S1017 | S1017-G1019 PolarHBondContact OG-N 3.3Š| ||
| 1020 | E | 35.6 | Very low | 35.9 | Very low | 194 Ų | 194 | 110.9 Ų | 110.9 | 91% | 0.907 | 75% | 0.748 | S | S | * | * | trans | -54.8 | 130.5 | 163.6 | -65.8 | 176 | 140.4 | 0 | 0 | 109.7 | ||||
| 1021 | E | 31.3 | Very low | 34.5 | Very low | 192 Ų | 192 | 118.1 Ų | 118.1 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -165.1 | 119 | 134.4 | -108.4 | 174.5 | -161.9 | 0 | 0 | 111.8 | ||||
| 1022 | A | 30.6 | Very low | 32.8 | Very low | 91 Ų | 91 | 117.4 Ų | 117.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 23.3 | 125.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | S1024 | A1022-S1024 PolarHBondContact O-N 2.94Š| ||
| 1023 | A | 40.1 | Very low | 31.7 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -50.5 | 122.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1024 | S | 28.7 | Very low | 31 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -145.8 | 125.3 | 152.8 | 53.9 | 0 | 0 | 0 | 0 | 110.5 | A1022 | A1022-S1024 PolarHBondContact O-N 2.94Š| ||
| 1025 | Q | 31.6 | Very low | 30.7 | Very low | 188 Ų | 188 | 126.6 Ų | 126.6 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -61.5 | 146.7 | 176.1 | -69.4 | 172.7 | -29.6 | 0 | 0 | 111.4 | S1027 | Q1025-S1027 PolarHBondContact O-N 3.07Š| ||
| 1026 | P | 30.2 | Very low | 30.4 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -88.5 | 108.3 | 159.9 | 27.4 | -18.7 | 0 | 0 | 0 | 110.4 | ||||
| 1027 | S | 23.6 | Very low | 30.2 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -69.4 | 152.8 | 161.7 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | Q1025 | Q1025-S1027 PolarHBondContact O-N 3.07Š| ||
| 1028 | A | 26.5 | Very low | 30.1 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -75.5 | 152 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1029 | A | 28.7 | Very low | 29.8 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | 73.7 | 155.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1030 | P | 31.3 | Very low | 29.9 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | cis | -137.8 | 174.6 | 19.8 | 38.6 | -17.6 | 0 | 0 | 0 | 117.8 | ||||
| 1031 | R | 31.4 | Very low | 29.6 | Very low | 245 Ų | 245 | 138 Ų | 138 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -73.2 | 144.4 | 171.8 | -68.1 | 174.4 | 165.6 | 175.7 | -4.3 | 113.1 | ||||
| 1032 | S | 23.8 | Very low | 29.7 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -167.6 | 114.6 | 136.3 | 72 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1033 | V | 28.1 | Very low | 29.8 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | 77.8 | 125.6 | 72.7 | 179.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1034 | T | 27.8 | Very low | 29.3 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | trans | 89.8 | 123 | 175.7 | 72.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1035 | T | 27.1 | Very low | 29.2 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | -161.3 | 140.8 | 51.4 | 39.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1036 | K | 27.7 | Very low | 29.3 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | 60.7 | 113.7 | 141.3 | -64.3 | -179.6 | 178.3 | 179 | 0 | 122 | ||||
| 1037 | K | 31.1 | Very low | 29.3 | Very low | 207 Ų | 207 | 139 Ų | 139 | 90% | 0.9 | 81% | 0.813 | S | S | * | * | trans | -63 | 146.2 | 155.7 | -80.5 | -179.9 | 171.6 | 179.1 | 0 | 112.7 | ||||
| 1038 | P | 28.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -107 | 170.2 | 143.5 | 1.5 | 20.5 | 0 | 0 | 0 | 112.3 | ||||
| 1039 | P | 31.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 164.5 | -149.2 | 36.1 | -35 | 0 | 0 | 0 | 115.9 | ||
| 1040 | L | 32.8 | Very low | 29.9 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 127.3 | 171.5 | -77.6 | 128.6 | 0 | 0 | 0 | 112.7 | ||
| 1041 | A | 30.4 | Very low | 30 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 131.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1042 | Q | 32.4 | Very low | 30 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 149.2 | -177.6 | -70.9 | 172.4 | -17.4 | 0 | 0 | 112.3 | ||
| 1043 | K | 32.6 | Very low | 30.2 | Very low | 201 Ų | 201 | 153 Ų | 153 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -60 | 139.2 | 168.8 | -78.2 | 178.6 | 171.6 | 179.9 | 0 | 111.1 | S1045 | K1043-S1045 PolarHBondContact O-N 3.48Š|
| 1044 | P | 29.4 | Very low | 30.4 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70 | 123.5 | 161.3 | -9.4 | 24.9 | 0 | 0 | 0 | 109.8 | V1046 | P1044-V1046 PolarHBondContact O-N 3.45Š|
| 1045 | S | 27.6 | Very low | 30.4 | Very low | 119 Ų | 119 | 157.7 Ų | 157.7 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | -74 | 115.7 | 168.1 | 59.3 | 0 | 0 | 0 | 0 | 109.8 | K1043 | K1043-S1045 PolarHBondContact O-N 3.48Š| ||
| 1046 | V | 32.1 | Very low | 30.7 | Very low | 138 Ų | 138 | 160.9 Ų | 160.9 | 84% | 0.836 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 121.8 | 167.4 | 178.1 | 0 | 0 | 0 | 0 | 108 | P1044 | P1044-V1046 PolarHBondContact O-N 3.45Š|
| 1047 | A | 31.9 | Very low | 30.8 | Very low | 81 Ų | 81 | 160.5 Ų | 160.5 | 67% | 0.669 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 146.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1049 | A1047-R1049 PolarHBondContact O-N 3.21Š|
| 1048 | P | 31.8 | Very low | 30.8 | Very low | 128 Ų | 128 | 157.4 Ų | 157.4 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 123.8 | -179.4 | 30.5 | -30.3 | 0 | 0 | 0 | 110.3 | ||
| 1049 | R | 29 | Very low | 30.8 | Very low | 253 Ų | 253 | 155.1 Ų | 155.1 | 96% | 0.955 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 132.9 | 166 | -90.2 | -173.8 | 173.8 | 169.2 | -1 | 109.9 | A1047 | A1047-R1049 PolarHBondContact O-N 3.21Š|
| 1050 | Q | 29.6 | Very low | 30.6 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68 | 141.4 | -169.2 | -69.6 | 164.1 | -26.6 | 0 | 0 | 113.3 | H1052 | Q1050-H1052 PolarHBondContact O-N 3.14Š|
| 1051 | D | 32.8 | Very low | 30.4 | Very low | 161 Ų | 161 | 158.5 Ų | 158.5 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 124.4 | 157.4 | -71.9 | -50.8 | 0 | 0 | 0 | 110.5 | ||
| 1052 | H | 31.5 | Very low | 30.9 | Very low | 174 Ų | 174 | 159 Ų | 159 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | trans | -129 | 134.5 | 158.7 | -92.7 | 37.6 | 0 | 0 | 0 | 110.6 | Q1050 | Q1050-H1052 PolarHBondContact O-N 3.14Š| ||
| 1053 | Q | 28.9 | Very low | 30.8 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -67.4 | 146.7 | -167.6 | -71.5 | 160 | -20.5 | 0 | 0 | 113 | D1055 | Q1053-D1055 PolarHBondContact O-N 3.24Š| ||
| 1054 | L | 31.5 | Very low | 30.6 | Very low | 182 Ų | 182 | 154.3 Ų | 154.3 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | -66.4 | 118.2 | 160.1 | -74.1 | 159.7 | 0 | 0 | 0 | 109 | ||||
| 1055 | D | 29.4 | Very low | 30.7 | Very low | 165 Ų | 165 | 156 Ų | 156 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -107.7 | 135.1 | 165.5 | -141.4 | -5.8 | 0 | 0 | 0 | 110.6 | Q1053 | Q1053-D1055 PolarHBondContact O-N 3.24Š| ||
| 1056 | K | 32.9 | Very low | 30.9 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -95.1 | 158.1 | 179.7 | -86.4 | 179.2 | 172.6 | 177.6 | 0 | 109.6 | ||||
| 1057 | K | 30.3 | Very low | 30.8 | Very low | 187 Ų | 187 | 155.2 Ų | 155.2 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | 114.7 | 143.5 | 162.8 | -70.2 | -174.6 | 169.6 | -179 | 0 | 111.9 | ||||
| 1058 | D | 30.7 | Very low | 31 | Very low | 143 Ų | 143 | 165.4 Ų | 165.4 | 77% | 0.765 | 83% | 0.831 | S | S | * | * | cis | -173.7 | 156.2 | -8.5 | -100.6 | -29 | 0 | 0 | 0 | 104.5 | ||||
| 1059 | G | 27.8 | Very low | 31 | Very low | 67 Ų | 67 | 167.3 Ų | 167.3 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | trans | 126.2 | 88.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1060 | I | 28.2 | Very low | 31.1 | Very low | 153 Ų | 153 | 162.7 Ų | 162.7 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | 71 | 100.1 | 74.1 | -59.8 | 177 | 0 | 0 | 0 | 113.5 | |||||
| 1061 | Y | 27.5 | Very low | 31.2 | Very low | 213 Ų | 213 | 162.2 Ų | 162.2 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 54.2 | 163 | 139.7 | -81.4 | -91.8 | 0 | 0 | 0 | 121.6 | ||||
| 1062 | P | 40.8 | Very low | 31.1 | Very low | 111 Ų | 111 | 162.3 Ų | 162.3 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | cis | -132.5 | 166.1 | -7.2 | 28.6 | -7.1 | 0 | 0 | 0 | 115.7 | ||||
| 1063 | A | 29.9 | Very low | 31.1 | Very low | 95 Ų | 95 | 161.6 Ų | 161.6 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -69 | 144.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1064 | Q | 28.5 | Very low | 31.2 | Very low | 197 Ų | 197 | 159.5 Ų | 159.5 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -119 | 134 | 163.5 | -114.8 | 176.8 | -10.2 | 0 | 0 | 110.4 | ||||
| 1065 | L | 32 | Very low | 31.2 | Very low | 156 Ų | 156 | 157.9 Ų | 157.9 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | trans | -74.9 | 151 | -178.9 | -100.7 | 105.6 | 0 | 0 | 0 | 112.4 | ||||
| 1066 | V | 31 | Very low | 31.3 | Very low | 105 Ų | 105 | 157.3 Ų | 157.3 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | 98.8 | 130.9 | 128.3 | 165.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 1067 | N | 31.8 | Very low | 31.2 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | 68.9 | 125 | 159.5 | -66.3 | -16 | 0 | 0 | 0 | 116.6 | ||||
| 1068 | Y | 35.7 | Very low | 31.3 | Very low | 294 Ų | 294 | 151.9 Ų | 151.9 | 100% | 1.153 | 80% | 0.804 | S | S | * | * | cis | -138.5 | 0 | 29.1 | -105 | -96 | 0 | 0 | 0 | 111.7 |
Retrieved 1,068 of 1,068 residues in 611.1 ms
(Link to these results)