| 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 | 37.7 | Very low | 38.1 | Very low | 249 Ų | 249 | 153.8 Ų | 153.8 | 100% | 1.227 | 78% | 0.782 | S | S | * | * | 0 | 93.2 | 0 | -83.6 | 173.4 | 163.4 | 0 | 0 | 108.4 | |||||
| 2 | Q | 30.6 | Very low | 38.3 | Very low | 197 Ų | 197 | 153.2 Ų | 153.2 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -95.1 | 111 | 172.9 | -80.3 | 177.4 | -6.1 | 0 | 0 | 107.8 | K4 | Q2-K4 PolarHBondContact O-N 3.5Š| ||
| 3 | A | 33.9 | Very low | 38.3 | Very low | 101 Ų | 101 | 152.9 Ų | 152.9 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -67.4 | 115.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S5 | A3-S5 PolarHBondContact O-N 3.01Å; A3-S5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | K | 35.3 | Very low | 38.3 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -60.5 | 112.4 | 173.2 | -80.2 | 177.5 | 172.8 | 177.3 | 0 | 109 | Q2 F6 | Q2-K4 PolarHBondContact O-N 3.5Å; K4-F6 VanDerWaalsContact C-N 3.27Å; K4-F6 HydrophobicContact CB-CB 4.5Å; K4-F6 PolarHBondContact O-N 3.48Å | ||
| 5 | S | 38.1 | Very low | 38.5 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -69.8 | 85.7 | 163.8 | 63.4 | 0 | 0 | 0 | 0 | 108.9 | A3 | A3-S5 PolarHBondContact O-N 3.01Å; A3-S5 VanDerWaalsContact O-N 3.14Å | ||
| 6 | F | 34.9 | Very low | 38.6 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 69% | 0.689 | 72% | 0.724 | S | S | * | * | trans | -133.3 | 73.3 | 179.8 | -154.9 | -84.3 | 0 | 0 | 0 | 107.6 | K4 | K4-F6 VanDerWaalsContact C-N 3.27Å; K4-F6 HydrophobicContact CB-CB 4.5Å; K4-F6 PolarHBondContact O-N 3.48Å | ||
| 7 | N | 40.5 | Very low | 39.1 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 59% | 0.594 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -160.8 | -13.6 | 160.2 | -116.5 | -3.3 | 0 | 0 | 0 | 120.3 | ||
| 8 | D | 44.2 | Very low | 40.2 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -79.9 | -26.2 | -175.6 | -78.5 | -27.1 | 0 | 0 | 0 | 115.1 | ||
| 9 | R | 40.1 | Very low | 41.6 | Very low | 222 Ų | 222 | 132 Ų | 132 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -76.1 | -27.5 | -178.7 | -65.2 | -172.5 | -168.5 | 177.7 | 3.6 | 113.5 | ||
| 10 | N | 43.8 | Very low | 43.1 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 46% | 0.46 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -81.2 | -28.5 | -179.5 | -75.3 | -24.1 | 0 | 0 | 0 | 112.7 | Q13 A14 | N10-Q13 PolarHBondContact O-N 3.1Å; N10-A14 WeakPolarHBondContact O-CB 3.37Å; N10-A14 PolarHBondContact O-N 2.97Å |
| 11 | L | 40.7 | Very low | 44.6 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 56% | 0.555 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.3 | -44.3 | 175.9 | -109.7 | 108.9 | 0 | 0 | 0 | 111.8 | Q13 A14 V15 | L11-Q13 PolarHBondContact O-N 3.1Å; L11-A14 PolarHBondContact O-N 3.17Å; L11-V15 WeakPolarHBondContact O-CB 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.36Å |
| 12 | H | 40 | Very low | 46.6 | Very low | 146 Ų | 146 | 118.6 Ų | 118.6 | 68% | 0.676 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.2 | -30.8 | 177.3 | -109.2 | -85.6 | 0 | 0 | 0 | 112.8 | F16 | H12-F16 VanDerWaalsContact O-CD2 3.28Å; H12-F16 WeakPolarHBondContact O-CD2 3.39Å |
| 13 | Q | 38.4 | Very low | 49.3 | Very low | 150 Ų | 150 | 113.3 Ų | 113.3 | 70% | 0.701 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -85.6 | -30.9 | 178.5 | -139.9 | 164.7 | 5.9 | 0 | 0 | 112.5 | N10 L11 F16 | N10-Q13 PolarHBondContact O-N 3.1Å; L11-Q13 PolarHBondContact O-N 3.1Å; Q13-F16 PolarHBondContact O-N 3.14Å |
| 14 | A | 38.6 | Very low | 51.9 | Low | 69 Ų | 69 | 112.1 Ų | 112.1 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.5 | -32.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | N10 L11 F16 C17 | N10-A14 WeakPolarHBondContact O-CB 3.37Å; N10-A14 PolarHBondContact O-N 2.97Å; L11-A14 PolarHBondContact O-N 3.17Å; A14-F16 PolarHBondContact O-N 2.85Å; A14-C17 PolarHBondContact O-N 2.96Å |
| 15 | V | 40.6 | Very low | 54.4 | Low | 78 Ų | 78 | 105.2 Ų | 105.2 | 47% | 0.473 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16.7 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | L11 C17 L20 | L11-V15 WeakPolarHBondContact O-CB 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.36Å; V15-C17 VanDerWaalsContact C-N 3.33Å; V15-C17 PolarHBondContact O-N 3.33Å; V15-L20 HydrophobicContact CG1-CD2 3.82Å; V15-L20 WeakPolarHBondContact O-CD2 3.29Å |
| 16 | F | 40.5 | Very low | 57 | Low | 128 Ų | 128 | 99.6 Ų | 99.6 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 20.4 | 176.2 | -95.4 | -98.9 | 0 | 0 | 0 | 114 | H12 Q13 A14 S18 | H12-F16 VanDerWaalsContact O-CD2 3.28Å; H12-F16 WeakPolarHBondContact O-CD2 3.39Å; Q13-F16 PolarHBondContact O-N 3.14Å; A14-F16 PolarHBondContact O-N 2.85Å; F16-S18 PolarHBondContact O-N 3.2Å |
| 17 | C | 47.6 | Very low | 59.7 | Low | 62 Ų | 62 | 96.3 Ų | 96.3 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | trans | -62.1 | 130.7 | 167.3 | -164.8 | 0 | 0 | 0 | 0 | 109.1 | A14 V15 N19 L20 K21 | A14-C17 PolarHBondContact O-N 2.96Å; V15-C17 VanDerWaalsContact C-N 3.33Å; V15-C17 PolarHBondContact O-N 3.33Å; C17-N19 PolarHBondContact O-N 2.95Å; C17-L20 PolarHBondContact O-N 3.18Å; C17-K21 PolarHBondContact O-N 3.47Å | ||
| 18 | S | 58.3 | Low | 62.1 | Low | 81 Ų | 81 | 95.4 Ų | 95.4 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -48.3 | -32.1 | 179.9 | 46.5 | 0 | 0 | 0 | 0 | 113.2 | F16 K21 Q22 | F16-S18 PolarHBondContact O-N 3.2Å; S18-K21 PolarHBondContact O-N 3.4Å; S18-Q22 PolarHBondContact O-N 3.37Å |
| 19 | N | 66.6 | Low | 64.4 | Low | 102 Ų | 102 | 88.5 Ų | 88.5 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 177 | -64.4 | -11.8 | 0 | 0 | 0 | 113 | C17 Q22 L23 | C17-N19 PolarHBondContact O-N 2.95Å; N19-Q22 PolarHBondContact O-N 2.92Å; N19-L23 WeakPolarHBondContact O-CG 3.35Å; N19-L23 PolarHBondContact O-N 3.28Å |
| 20 | L | 71.8 | Confident | 66.8 | Low | 81 Ų | 81 | 79.1 Ų | 79.1 | 42% | 0.424 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 179.5 | -139.4 | 94.2 | 0 | 0 | 0 | 110.6 | V15 C17 Q22 L23 V24 | V15-L20 HydrophobicContact CG1-CD2 3.82Å; V15-L20 WeakPolarHBondContact O-CD2 3.29Å; C17-L20 PolarHBondContact O-N 3.18Å; L20-Q22 VanDerWaalsContact C-N 3.34Å; L20-Q22 PolarHBondContact O-N 3.39Å; L20-L23 PolarHBondContact O-N 2.97Å; L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.93Å |
| 21 | K | 74.9 | Confident | 69 | Low | 95 Ų | 95 | 81 Ų | 81 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 174.1 | -66 | -175.7 | 178.6 | -176.9 | 0 | 110.9 | C17 S18 L23 V24 E25 | C17-K21 PolarHBondContact O-N 3.47Å; S18-K21 PolarHBondContact O-N 3.4Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 3.32Å; K21-V24 PolarHBondContact O-N 2.85Å; K21-E25 VanDerWaalsContact O-CG 3.26Å; K21-E25 WeakPolarHBondContact O-CG 3.33Å; K21-E25 PolarHBondContact O-N 3.19Å |
| 22 | Q | 80 | Confident | 71.3 | Confident | 55 Ų | 55 | 78.4 Ų | 78.4 | 26% | 0.257 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 177.6 | -172.5 | 174.4 | 7.1 | 0 | 0 | 111.9 | S18 N19 L20 E25 V26 | S18-Q22 PolarHBondContact O-N 3.37Å; N19-Q22 PolarHBondContact O-N 2.92Å; L20-Q22 VanDerWaalsContact C-N 3.34Å; L20-Q22 PolarHBondContact O-N 3.39Å; Q22-E25 PolarHBondContact O-N 3.33Å; Q22-V26 WeakPolarHBondContact O-CG2 3.39Å; Q22-V26 PolarHBondContact O-N 2.93Å |
| 23 | L | 86.3 | Confident | 73.6 | Confident | 87 Ų | 87 | 71.9 Ų | 71.9 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 176.9 | -73.7 | 171 | 0 | 0 | 0 | 112.8 | N19 L20 K21 E25 V26 V27 L40 | N19-L23 WeakPolarHBondContact O-CG 3.35Å; N19-L23 PolarHBondContact O-N 3.28Å; L20-L23 PolarHBondContact O-N 2.97Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 3.32Å; L23-E25 VanDerWaalsContact C-N 3.3Å; L23-E25 PolarHBondContact O-N 2.88Å; L23-V26 PolarHBondContact O-N 3.47Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 2.84Å; L23-L40 HydrophobicContact CD2-CD1 4.16Å |
| 24 | V | 88.2 | Confident | 75.9 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 173.9 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | L20 K21 V26 V27 L28 | L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.93Å; K21-V24 PolarHBondContact O-N 2.85Å; V24-V26 VanDerWaalsContact C-N 3.34Å; V24-V26 PolarHBondContact O-N 3.48Å; V24-V27 PolarHBondContact O-N 3.22Å; V24-V27 VanDerWaalsContact O-N 3.12Å; V24-L28 HydrophobicContact CG1-CD1 4.01Å; V24-L28 HydrophobicContact CG1-CG 4.29Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 2.85Å |
| 25 | E | 89.3 | Confident | 78.4 | Confident | 50 Ų | 50 | 67 Ų | 67 | 23% | 0.234 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 178.7 | -68.9 | -64.4 | 141.8 | 0 | 0 | 112.8 | K21 Q22 L23 L28 T29 V66 C101 | K21-E25 VanDerWaalsContact O-CG 3.26Å; K21-E25 WeakPolarHBondContact O-CG 3.33Å; K21-E25 PolarHBondContact O-N 3.19Å; Q22-E25 PolarHBondContact O-N 3.33Å; L23-E25 VanDerWaalsContact C-N 3.3Å; L23-E25 PolarHBondContact O-N 2.88Å; E25-L28 PolarHBondContact O-N 3.14Å; E25-T29 WeakPolarHBondContact O-CB 3.26Å; E25-T29 PolarHBondContact O-N 2.79Å; E25-T29 PolarHBondContact O-OG1 3.09Å; E25-V66 HydrophobicContact CB-CG1 3.59Å; E25-C101 VanDerWaalsContact CB-SG 3.51Å; E25-C101 HydrophobicContact CG-CB 3.96Å; E25-C101 WeakPolarHBondContact CG-SG 3.38Å; E25-C101 PolarHBondContact OE2-SG 3.28Å |
| 26 | V | 92 | Very high | 80.9 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.5 | -49 | 170 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | Q22 L23 V24 L28 T29 C30 D54 V55 V66 | Q22-V26 WeakPolarHBondContact O-CG2 3.39Å; Q22-V26 PolarHBondContact O-N 2.93Å; L23-V26 PolarHBondContact O-N 3.47Å; V24-V26 VanDerWaalsContact C-N 3.34Å; V24-V26 PolarHBondContact O-N 3.48Å; V26-L28 PolarHBondContact O-N 2.65Å; V26-T29 WeakPolarHBondContact O-CB 2.84Å; V26-T29 PolarHBondContact O-N 2.78Å; V26-C30 PolarHBondContact O-N 3.09Å; V26-C30 VanDerWaalsContact O-N 3.08Å; V26-C30 PolarHBondContact O-SG 2.95Å; V26-D54 HydrophobicContact CG1-CB 4.42Å; V26-D54 HydrophobicContact CG2-CB 3.86Å; V26-V55 HydrophobicContact CG1-CG2 3.93Å; V26-V66 HydrophobicContact CG2-CB 4.05Å; V26-V66 HydrophobicContact CG2-CG2 3.84Å |
| 27 | V | 91.9 | Very high | 83.5 | Confident | 87 Ų | 87 | 63.1 Ų | 63.1 | 53% | 0.527 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 179 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | L23 V24 T29 C30 V31 | L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 2.84Å; V24-V27 PolarHBondContact O-N 3.22Å; V24-V27 VanDerWaalsContact O-N 3.12Å; V27-T29 VanDerWaalsContact C-N 3.28Å; V27-T29 PolarHBondContact O-N 2.96Å; V27-C30 WeakPolarHBondContact O-CB 3.33Å; V27-C30 PolarHBondContact O-N 3.4Å; V27-C30 VanDerWaalsContact O-N 3.14Å; V27-V31 PolarHBondContact O-N 3.13Å |
| 28 | L | 90.8 | Very high | 85.6 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 48% | 0.482 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 176.4 | -69.9 | 176.4 | 0 | 0 | 0 | 111.6 | V24 E25 V26 C30 V31 S32 | V24-L28 HydrophobicContact CG1-CD1 4.01Å; V24-L28 HydrophobicContact CG1-CG 4.29Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 2.85Å; E25-L28 PolarHBondContact O-N 3.14Å; V26-L28 PolarHBondContact O-N 2.65Å; L28-C30 VanDerWaalsContact C-N 3.31Å; L28-C30 PolarHBondContact O-N 3.45Å; L28-V31 PolarHBondContact O-N 3.05Å; L28-S32 PolarHBondContact O-N 3.45Å |
| 29 | T | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 174.6 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | E25 V26 V27 V31 S32 V33 V55 I64 R99 | E25-T29 WeakPolarHBondContact O-CB 3.26Å; E25-T29 PolarHBondContact O-N 2.79Å; E25-T29 PolarHBondContact O-OG1 3.09Å; V26-T29 WeakPolarHBondContact O-CB 2.84Å; V26-T29 PolarHBondContact O-N 2.78Å; V27-T29 VanDerWaalsContact C-N 3.28Å; V27-T29 PolarHBondContact O-N 2.96Å; T29-V31 VanDerWaalsContact C-N 3.28Å; T29-V31 PolarHBondContact O-N 3.48Å; T29-S32 PolarHBondContact O-N 3.24Å; T29-S32 PolarHBondContact O-OG 3.32Å; T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 3.26Å; T29-V55 HydrophobicContact CG2-CG2 4.05Å; T29-I64 HydrophobicContact CG2-CB 4.49Å; T29-I64 HydrophobicContact CG2-CD1 4.04Å; T29-I64 HydrophobicContact CG2-CG2 3.92Å; T29-R99 VanDerWaalsContact OG1-CD 3.32Å; T29-R99 WeakPolarHBondContact OG1-CD 3.42Å |
| 30 | C | 91.4 | Very high | 88.7 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -35.5 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | V26 V27 L28 S32 V33 V36 L39 V55 | V26-C30 PolarHBondContact O-N 3.09Å; V26-C30 VanDerWaalsContact O-N 3.08Å; V26-C30 PolarHBondContact O-SG 2.95Å; V27-C30 WeakPolarHBondContact O-CB 3.33Å; V27-C30 PolarHBondContact O-N 3.4Å; V27-C30 VanDerWaalsContact O-N 3.14Å; L28-C30 VanDerWaalsContact C-N 3.31Å; L28-C30 PolarHBondContact O-N 3.45Å; C30-S32 VanDerWaalsContact C-N 3.29Å; C30-V33 VanDerWaalsContact O-O 3.13Å; C30-V36 HydrophobicContact CB-CG2 4.33Å; C30-L39 HydrophobicContact CB-CD2 4.39Å; C30-L39 WeakPolarHBondContact SG-CD2 3.47Å; C30-V55 VanDerWaalsContact SG-CG2 3.52Å |
| 31 | V | 90.2 | Very high | 89.8 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 77% | 0.77 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.3 | -27.3 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | V27 L28 T29 | V27-V31 PolarHBondContact O-N 3.13Å; L28-V31 PolarHBondContact O-N 3.05Å; T29-V31 VanDerWaalsContact C-N 3.28Å; T29-V31 PolarHBondContact O-N 3.48Å |
| 32 | S | 87.7 | Confident | 90.8 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -87.1 | -8.1 | -177.9 | 73.6 | 0 | 0 | 0 | 0 | 115.3 | L28 T29 C30 R99 | L28-S32 PolarHBondContact O-N 3.45Å; T29-S32 PolarHBondContact O-N 3.24Å; T29-S32 PolarHBondContact O-OG 3.32Å; C30-S32 VanDerWaalsContact C-N 3.29Å; S32-R99 PolarHBondContact OG-NH1 2.95Å |
| 33 | V | 89.3 | Confident | 91.5 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -126.3 | 142 | -178.8 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | T29 C30 V36 V55 A57 I64 W154 | T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 3.26Å; C30-V33 VanDerWaalsContact O-O 3.13Å; V33-V36 HydrophobicContact CG2-CG2 3.72Å; V33-V55 HydrophobicContact CG2-CG1 4.3Å; V33-A57 HydrophobicContact CB-CB 4.21Å; V33-A57 HydrophobicContact CG2-CB 3.66Å; V33-I64 HydrophobicContact CB-CD1 4.41Å; V33-I64 HydrophobicContact CG1-CD1 3.83Å; V33-I64 HydrophobicContact CG2-CD1 4.07Å; V33-W154 HydrophobicContact CG1-CH2 4.42Å |
| 34 | P | 86.9 | Confident | 91.7 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -83.3 | 161.3 | -176.4 | 35.5 | -37.4 | 0 | 0 | 0 | 112.3 | V36 N58 W156 | P34-V36 VanDerWaalsContact C-N 3.31Å; P34-V36 PolarHBondContact O-N 2.9Å; P34-N58 PolarHBondContact O-N 2.63Å; P34-W156 HydrophobicContact CB-CZ2 4.47Å; P34-W156 VanDerWaalsContact CD-CZ2 3.43Å; P34-W156 VanDerWaalsContact CD-NE1 3.25Å; P34-W156 HydrophobicContact CG-CD2 4.11Å; P34-W156 HydrophobicContact CG-CH2 3.86Å; P34-W156 HydrophobicContact CG-CZ2 3.01Å; P34-W156 VanDerWaalsContact CG-NE1 3.25Å |
| 35 | S | 90.1 | Very high | 91.7 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 52.2 | 47.7 | 170.9 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | T37 N58 N59 | S35-T37 PolarHBondContact O-N 3.47Å; S35-N58 PolarHBondContact O-N 3.5Å; S35-N59 PolarHBondContact O-N 3.18Å |
| 36 | V | 94.1 | Very high | 91.3 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | trans | -65.1 | 126.9 | 172.6 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | C30 V33 P34 L39 V55 V56 | C30-V36 HydrophobicContact CB-CG2 4.33Å; V33-V36 HydrophobicContact CG2-CG2 3.72Å; P34-V36 VanDerWaalsContact C-N 3.31Å; P34-V36 PolarHBondContact O-N 2.9Å; V36-L39 HydrophobicContact CG1-CD2 3.82Å; V36-V55 HydrophobicContact CG1-CG1 3.95Å; V36-V55 HydrophobicContact CG2-CG1 4.08Å; V36-V56 WeakPolarHBondContact CA-O 3.37Å | ||
| 37 | T | 94 | Very high | 91.1 | Very high | 72 Ų | 72 | 65 Ų | 65 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | trans | -118.5 | -5.7 | -177.2 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | S35 V56 | S35-T37 PolarHBondContact O-N 3.47Å; T37-V56 PolarHBondContact N-O 3.23Å; T37-V56 PolarHBondContact OG1-O 2.89Å | ||
| 38 | G | 93.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 144.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V56 | G38-V56 PolarHBondContact N-O 3.5Å; G38-V56 PolarHBondContact O-N 3.4Å |
| 39 | L | 95 | Very high | 90.7 | Very high | 98 Ų | 98 | 61.5 Ų | 61.5 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.9 | 173.8 | -57.6 | -177 | 0 | 0 | 0 | 109 | C30 V36 K41 D54 V55 | C30-L39 HydrophobicContact CB-CD2 4.39Å; C30-L39 WeakPolarHBondContact SG-CD2 3.47Å; V36-L39 HydrophobicContact CG1-CD2 3.82Å; L39-K41 PolarHBondContact O-N 3.35Å; L39-K41 VanDerWaalsContact O-N 3.11Å; L39-D54 CarbonylContact C-O 3.58Å; L39-D54 WeakPolarHBondContact CA-O 3.42Å; L39-V55 HydrophobicContact CD2-CG1 4.31Å; L39-V55 HydrophobicContact CD2-CG2 4.25Å |
| 40 | L | 94.2 | Very high | 90.8 | Very high | 86 Ų | 86 | 65.5 Ų | 65.5 | 45% | 0.45 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.2 | 41.5 | -179.6 | -58.2 | 172 | 0 | 0 | 0 | 111.8 | L23 I52 V53 D54 | L23-L40 HydrophobicContact CD2-CD1 4.16Å; L40-I52 HydrophobicContact CB-CG2 4.28Å; L40-I52 HydrophobicContact CD2-CG2 4.37Å; L40-V53 CarbonylContact C-O 3.55Å; L40-V53 WeakPolarHBondContact CA-O 3.48Å; L40-V53 PolarHBondContact N-O 2.93Å; L40-D54 PolarHBondContact N-O 2.78Å |
| 41 | K | 95.4 | Very high | 91 | Very high | 81 Ų | 81 | 64.7 Ų | 64.7 | 35% | 0.352 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130.2 | -171.4 | -173.6 | 168.9 | 179.8 | 173.4 | 0 | 109.9 | L39 F43 V53 V56 | L39-K41 PolarHBondContact O-N 3.35Å; L39-K41 VanDerWaalsContact O-N 3.11Å; K41-F43 HydrophobicContact CB-CE2 3.96Å; K41-F43 HydrophobicContact CD-CE2 3.92Å; K41-F43 HydrophobicContact CD-CZ 3.72Å; K41-F43 HydrophobicContact CG-CD2 4.37Å; K41-F43 HydrophobicContact CG-CE2 3.74Å; K41-F43 HydrophobicContact CG-CZ 4.02Å; K41-V53 PolarHBondContact N-O 2.55Å; K41-V53 PolarHBondContact O-N 3.48Å; K41-V56 HydrophobicContact CB-CG2 4.1Å; K41-V56 HydrophobicContact CD-CG2 4.2Å |
| 42 | V | 95.6 | Very high | 91.2 | Very high | 71 Ų | 71 | 63 Ų | 63 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.3 | 176.9 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | L44 P50 L51 I52 | V42-L44 HydrophobicContact CG1-CD2 4.44Å; V42-P50 HydrophobicContact CG1-CB 3.81Å; V42-L51 WeakPolarHBondContact CA-O 3.36Å; V42-I52 HydrophobicContact CG2-CG1 4.21Å |
| 43 | F | 94.7 | Very high | 91.6 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 13% | 0.132 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 154.7 | 167.3 | -65.9 | -91.1 | 0 | 0 | 0 | 109.5 | K41 P50 L51 V53 V56 W63 T83 N87 | K41-F43 HydrophobicContact CB-CE2 3.96Å; K41-F43 HydrophobicContact CD-CE2 3.92Å; K41-F43 HydrophobicContact CD-CZ 3.72Å; K41-F43 HydrophobicContact CG-CD2 4.37Å; K41-F43 HydrophobicContact CG-CE2 3.74Å; K41-F43 HydrophobicContact CG-CZ 4.02Å; F43-P50 CarbonylContact O-C 3.59Å; F43-P50 WeakPolarHBondContact O-CA 3.16Å; F43-L51 PolarHBondContact N-O 2.91Å; F43-L51 PolarHBondContact O-N 2.73Å; F43-V53 HydrophobicContact CD2-CB 4.14Å; F43-V53 HydrophobicContact CD2-CG2 3.55Å; F43-V53 HydrophobicContact CE2-CB 4.03Å; F43-V53 HydrophobicContact CE2-CG2 3.8Å; F43-V56 HydrophobicContact CE2-CG2 3.78Å; F43-V56 HydrophobicContact CZ-CG2 4Å; F43-W63 HydrophobicContact CB-CH2 3.83Å; F43-W63 HydrophobicContact CB-CZ2 4.45Å; F43-W63 HydrophobicContact CB-CZ3 4.46Å; F43-W63 AromaticContact CD1-CH2 3.71Å; F43-W63 HydrophobicContact CD1-CH2 3.71Å; F43-W63 AromaticContact CD1-CZ2 3.47Å; F43-W63 HydrophobicContact CD1-CZ2 3.47Å; F43-W63 VanDerWaalsContact CD1-CZ2 3.47Å; F43-W63 AromaticContact CD2-CH2 3.86Å; F43-W63 HydrophobicContact CD2-CH2 3.86Å; F43-W63 AromaticContact CD2-CZ2 3.86Å; F43-W63 HydrophobicContact CD2-CZ2 3.86Å; F43-W63 HydrophobicContact CD2-CZ3 4.34Å; F43-W63 HydrophobicContact CE1-CH2 4.17Å; F43-W63 AromaticContact CE1-CZ2 3.45Å; F43-W63 HydrophobicContact CE1-CZ2 3.45Å; F43-W63 VanDerWaalsContact CE1-CZ2 3.45Å; F43-W63 AromaticContact CE2-CE2 3.93Å; F43-W63 HydrophobicContact CE2-CH2 4.31Å; F43-W63 AromaticContact CE2-CZ2 3.84Å; F43-W63 HydrophobicContact CE2-CZ2 3.84Å; F43-W63 AromaticContact CG-CH2 3.51Å; F43-W63 HydrophobicContact CG-CH2 3.51Å; F43-W63 AromaticContact CG-CZ2 3.66Å; F43-W63 HydrophobicContact CG-CZ2 3.66Å; F43-W63 HydrophobicContact CG-CZ3 4.31Å; F43-W63 AromaticContact CZ-CE2 3.81Å; F43-W63 HydrophobicContact CZ-CH2 4.44Å; F43-W63 AromaticContact CZ-CZ2 3.63Å; F43-W63 HydrophobicContact CZ-CZ2 3.63Å; F43-W63 AromaticContact CZ-NE1 3.88Å; F43-T83 HydrophobicContact CB-CG2 3.93Å; F43-N87 HydrophobicContact CD1-CB 3.95Å |
| 44 | L | 91.3 | Very high | 91.9 | Very high | 81 Ų | 81 | 60.3 Ų | 60.3 | 42% | 0.424 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.3 | 177.5 | -57.6 | -179.9 | 0 | 0 | 0 | 108.6 | V42 V49 P50 N87 | V42-L44 HydrophobicContact CG1-CD2 4.44Å; L44-V49 WeakPolarHBondContact CA-O 3.47Å; L44-P50 HydrophobicContact CD2-CB 4.02Å; L44-N87 PolarHBondContact O-ND2 2.69Å |
| 45 | D | 86.9 | Confident | 92.4 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | trans | -73.5 | -164.6 | 171.3 | 72.5 | 7.5 | 0 | 0 | 0 | 112.1 | D47 G48 V49 T83 | D45-D47 VanDerWaalsContact C-N 3.31Å; D45-D47 PolarHBondContact O-N 3.28Å; D45-D47 WeakPolarHBondContact OD1-CA 3.42Å; D45-D47 PolarHBondContact OD1-N 3.4Å; D45-G48 PolarHBondContact O-N 3.15Å; D45-G48 PolarHBondContact OD1-N 2.63Å; D45-V49 PolarHBondContact N-O 2.82Å; D45-V49 VanDerWaalsContact N-O 3.07Å; D45-V49 PolarHBondContact OD1-N 3.13Å; D45-V49 VanDerWaalsContact OD2-CB 3.31Å; D45-V49 WeakPolarHBondContact OD2-CB 3.18Å; D45-T83 HydrophobicContact CB-CG2 4.35Å | ||
| 46 | R | 82.2 | Confident | 92.7 | Very high | 103 Ų | 103 | 54.9 Ų | 54.9 | 39% | 0.389 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -68.2 | -32 | -179.4 | -57.4 | -173 | 173.6 | 178.2 | -2.3 | 112.8 | G48 S86 R308 L310 | R46-G48 VanDerWaalsContact C-N 3.34Å; R46-S86 WeakPolarHBondContact CG-OG 3.39Å; R46-S86 PolarHBondContact NE-OG 2.68Å; R46-S86 VanDerWaalsContact NE-OG 3.12Å; R46-R308 PolarHBondContact NH2-O 2.66Å; R46-L310 HydrophobicContact CG-CD1 4.41Å |
| 47 | D | 86.8 | Confident | 92.7 | Very high | 147 Ų | 147 | 52.4 Ų | 52.4 | 79% | 0.786 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -93.2 | -2.1 | -176.2 | -59.7 | -45.6 | 0 | 0 | 0 | 111.7 | D45 V49 | D45-D47 VanDerWaalsContact C-N 3.31Å; D45-D47 PolarHBondContact O-N 3.28Å; D45-D47 WeakPolarHBondContact OD1-CA 3.42Å; D45-D47 PolarHBondContact OD1-N 3.4Å; D47-V49 HydrophobicContact CB-CG2 4.38Å |
| 48 | G | 86.3 | Confident | 92.5 | Very high | 41 Ų | 41 | 50.4 Ų | 50.4 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | trans | 87 | 12.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D45 R46 | D45-G48 PolarHBondContact O-N 3.15Å; D45-G48 PolarHBondContact OD1-N 2.63Å; R46-G48 VanDerWaalsContact C-N 3.34Å | ||
| 49 | V | 88.5 | Confident | 92.3 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 39% | 0.394 | 29% | 0.289 | S | S | . | . | trans | -72.8 | 129.7 | 177.1 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | L44 D45 D47 | L44-V49 WeakPolarHBondContact CA-O 3.47Å; D45-V49 PolarHBondContact N-O 2.82Å; D45-V49 VanDerWaalsContact N-O 3.07Å; D45-V49 PolarHBondContact OD1-N 3.13Å; D45-V49 VanDerWaalsContact OD2-CB 3.31Å; D45-V49 WeakPolarHBondContact OD2-CB 3.18Å; D47-V49 HydrophobicContact CB-CG2 4.38Å | ||
| 50 | P | 93 | Very high | 92.1 | Very high | 83 Ų | 83 | 49 Ų | 49 | 54% | 0.539 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134.7 | -180 | 30.5 | -33.8 | 0 | 0 | 0 | 112 | V42 F43 L44 | V42-P50 HydrophobicContact CG1-CB 3.81Å; F43-P50 CarbonylContact O-C 3.59Å; F43-P50 WeakPolarHBondContact O-CA 3.16Å; L44-P50 HydrophobicContact CD2-CB 4.02Å |
| 51 | L | 95 | Very high | 92 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.6 | 168.1 | -176.2 | 69.4 | 0 | 0 | 0 | 109.7 | V42 F43 W63 Q79 F80 T83 | V42-L51 WeakPolarHBondContact CA-O 3.36Å; F43-L51 PolarHBondContact N-O 2.91Å; F43-L51 PolarHBondContact O-N 2.73Å; L51-W63 HydrophobicContact CD2-CZ3 4.37Å; L51-Q79 HydrophobicContact CD1-CG 4.11Å; L51-F80 HydrophobicContact CD1-CD2 3.87Å; L51-F80 HydrophobicContact CD1-CE2 3.65Å; L51-F80 HydrophobicContact CD1-CZ 4.26Å; L51-F80 HydrophobicContact CD2-CB 4.35Å; L51-F80 HydrophobicContact CD2-CD1 3.96Å; L51-F80 HydrophobicContact CD2-CD2 3.82Å; L51-F80 HydrophobicContact CD2-CE1 4.16Å; L51-F80 HydrophobicContact CD2-CE2 4.02Å; L51-F80 HydrophobicContact CD2-CG 3.78Å; L51-F80 HydrophobicContact CD2-CZ 4.15Å; L51-F80 HydrophobicContact CG-CD2 4.32Å; L51-F80 HydrophobicContact CG-CE2 4.09Å; L51-F80 HydrophobicContact CG-CZ 4.26Å; L51-T83 HydrophobicContact CB-CG2 3.94Å; L51-T83 HydrophobicContact CD2-CG2 3.87Å |
| 52 | I | 95.4 | Very high | 92 | Very high | 90 Ų | 90 | 42 Ų | 42 | 46% | 0.462 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.3 | 176.2 | -58 | 174.9 | 0 | 0 | 0 | 109.2 | L40 V42 | L40-I52 HydrophobicContact CB-CG2 4.28Å; L40-I52 HydrophobicContact CD2-CG2 4.37Å; V42-I52 HydrophobicContact CG2-CG1 4.21Å |
| 53 | V | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.2 | 172.7 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | L40 K41 F43 V55 V56 W63 F80 | L40-V53 CarbonylContact C-O 3.55Å; L40-V53 WeakPolarHBondContact CA-O 3.48Å; L40-V53 PolarHBondContact N-O 2.93Å; K41-V53 PolarHBondContact N-O 2.55Å; K41-V53 PolarHBondContact O-N 3.48Å; F43-V53 HydrophobicContact CD2-CB 4.14Å; F43-V53 HydrophobicContact CD2-CG2 3.55Å; F43-V53 HydrophobicContact CE2-CB 4.03Å; F43-V53 HydrophobicContact CE2-CG2 3.8Å; V53-V55 WeakPolarHBondContact CG1-O 3.12Å; V53-V56 HydrophobicContact CB-CG2 4.24Å; V53-V56 HydrophobicContact CG1-CG2 3.78Å; V53-W63 HydrophobicContact CG1-CB 3.7Å; V53-W63 HydrophobicContact CG1-CD2 4.38Å; V53-W63 HydrophobicContact CG1-CG 3.96Å; V53-W63 HydrophobicContact CG2-CB 4.47Å; V53-W63 HydrophobicContact CG2-CD2 3.79Å; V53-W63 HydrophobicContact CG2-CE3 3.47Å; V53-W63 VanDerWaalsContact CG2-CE3 3.47Å; V53-W63 HydrophobicContact CG2-CG 4.24Å; V53-W63 HydrophobicContact CG2-CZ3 3.91Å; V53-F80 HydrophobicContact CB-CE1 4.49Å; V53-F80 HydrophobicContact CG2-CE1 3.88Å; V53-F80 HydrophobicContact CG2-CZ 4.43Å |
| 54 | D | 95.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -45.1 | -172.5 | -58.4 | -27.4 | 0 | 0 | 0 | 111.8 | V26 L39 L40 I64 K65 V66 | V26-D54 HydrophobicContact CG1-CB 4.42Å; V26-D54 HydrophobicContact CG2-CB 3.86Å; L39-D54 CarbonylContact C-O 3.58Å; L39-D54 WeakPolarHBondContact CA-O 3.42Å; L40-D54 PolarHBondContact N-O 2.78Å; D54-I64 PolarHBondContact N-O 2.98Å; D54-K65 VanDerWaalsContact CG-NZ 3.31Å; D54-K65 IonicContact OD1-NZ 3.66Å; D54-K65 PolarHBondContact OD1-NZ 3.41Å; D54-K65 VanDerWaalsContact OD2-CD 3.26Å; D54-K65 WeakPolarHBondContact OD2-CD 3.49Å; D54-K65 WeakPolarHBondContact OD2-CE 3.35Å; D54-K65 IonicContact OD2-NZ 2.65Å; D54-K65 PolarHBondContact OD2-NZ 3.11Å; D54-V66 HydrophobicContact CB-CG2 4.39Å; D54-V66 PolarHBondContact OD2-N 2.86Å |
| 55 | V | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.1 | 176 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | V26 T29 C30 V33 V36 L39 V53 I64 | V26-V55 HydrophobicContact CG1-CG2 3.93Å; T29-V55 HydrophobicContact CG2-CG2 4.05Å; C30-V55 VanDerWaalsContact SG-CG2 3.52Å; V33-V55 HydrophobicContact CG2-CG1 4.3Å; V36-V55 HydrophobicContact CG1-CG1 3.95Å; V36-V55 HydrophobicContact CG2-CG1 4.08Å; L39-V55 HydrophobicContact CD2-CG1 4.31Å; L39-V55 HydrophobicContact CD2-CG2 4.25Å; V53-V55 WeakPolarHBondContact CG1-O 3.12Å; V55-I64 HydrophobicContact CB-CB 4.19Å; V55-I64 PolarHBondContact N-O 2.57Å; V55-I64 VanDerWaalsContact N-O 3.1Å; V55-I64 PolarHBondContact O-N 3.48Å |
| 56 | V | 96.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 110 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | V36 T37 G38 K41 F43 V53 T62 | V36-V56 WeakPolarHBondContact CA-O 3.37Å; T37-V56 PolarHBondContact N-O 3.23Å; T37-V56 PolarHBondContact OG1-O 2.89Å; G38-V56 PolarHBondContact N-O 3.5Å; G38-V56 PolarHBondContact O-N 3.4Å; K41-V56 HydrophobicContact CB-CG2 4.1Å; K41-V56 HydrophobicContact CD-CG2 4.2Å; F43-V56 HydrophobicContact CE2-CG2 3.78Å; F43-V56 HydrophobicContact CZ-CG2 4Å; V53-V56 HydrophobicContact CB-CG2 4.24Å; V53-V56 HydrophobicContact CG1-CG2 3.78Å; V56-T62 WeakPolarHBondContact CA-O 3.49Å |
| 57 | A | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | -176.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V33 N59 G60 A61 T62 I64 | V33-A57 HydrophobicContact CB-CB 4.21Å; V33-A57 HydrophobicContact CG2-CB 3.66Å; A57-N59 VanDerWaalsContact C-N 3.28Å; A57-N59 PolarHBondContact O-N 2.76Å; A57-G60 CarbonylContact O-C 3.58Å; A57-G60 PolarHBondContact O-N 3.22Å; A57-A61 PolarHBondContact O-N 3.29Å; A57-T62 PolarHBondContact N-O 3.23Å; A57-T62 PolarHBondContact O-N 2.99Å; A57-I64 HydrophobicContact CB-CD1 4.29Å |
| 58 | N | 89.8 | Confident | 92.6 | Very high | 30 Ų | 30 | 24.3 Ų | 24.3 | 16% | 0.16 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | 52.3 | 45.3 | -179 | -162.3 | 10.7 | 0 | 0 | 0 | 112.7 | P34 S35 G60 A61 T62 W156 E163 | P34-N58 PolarHBondContact O-N 2.63Å; S35-N58 PolarHBondContact O-N 3.5Å; N58-G60 PolarHBondContact O-N 2.9Å; N58-A61 HydrophobicContact CB-CB 4.13Å; N58-A61 WeakPolarHBondContact O-CB 3.46Å; N58-A61 PolarHBondContact O-N 3.04Å; N58-T62 WeakPolarHBondContact CB-OG1 3.13Å; N58-W156 HydrophobicContact CB-CH2 3.55Å; N58-W156 HydrophobicContact CB-CZ3 3.95Å; N58-E163 PolarHBondContact ND2-OE2 3.08Å |
| 59 | N | 89 | Confident | 91.8 | Very high | 75 Ų | 75 | 24.5 Ų | 24.5 | 40% | 0.401 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | 58.5 | 16.8 | -176.5 | -57.4 | -67.4 | 0 | 0 | 0 | 115.3 | S35 A57 H89 | S35-N59 PolarHBondContact O-N 3.18Å; A57-N59 VanDerWaalsContact C-N 3.28Å; A57-N59 PolarHBondContact O-N 2.76Å; N59-H89 PolarHBondContact O-CE1 2.91Å; N59-H89 PolarHBondContact O-NE2 3.42Å |
| 60 | G | 90.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | 113.6 | -10.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A57 N58 T62 | A57-G60 CarbonylContact O-C 3.58Å; A57-G60 PolarHBondContact O-N 3.22Å; N58-G60 PolarHBondContact O-N 2.9Å; G60-T62 VanDerWaalsContact C-N 3.34Å |
| 61 | A | 91.6 | Very high | 89.2 | Confident | 22 Ų | 22 | 32.9 Ų | 32.9 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A57 N58 H89 P94 V95 | A57-A61 PolarHBondContact O-N 3.29Å; N58-A61 HydrophobicContact CB-CB 4.13Å; N58-A61 WeakPolarHBondContact O-CB 3.46Å; N58-A61 PolarHBondContact O-N 3.04Å; A61-H89 PolarHBondContact N-CD2 3.43Å; A61-P94 CarbonylContact O-C 3.58Å; A61-P94 VanDerWaalsContact O-CA 3.24Å; A61-P94 WeakPolarHBondContact O-CA 3.34Å; A61-V95 PolarHBondContact O-N 3.17Å |
| 62 | T | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.1 | -178.6 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | V56 A57 N58 G60 I64 V95 V97 W154 | V56-T62 WeakPolarHBondContact CA-O 3.49Å; A57-T62 PolarHBondContact N-O 3.23Å; A57-T62 PolarHBondContact O-N 2.99Å; N58-T62 WeakPolarHBondContact CB-OG1 3.13Å; G60-T62 VanDerWaalsContact C-N 3.34Å; T62-I64 HydrophobicContact CG2-CG1 4.17Å; T62-V95 CarbonylContact C-O 3.6Å; T62-V95 WeakPolarHBondContact CA-O 3.25Å; T62-V97 HydrophobicContact CG2-CG2 3.73Å; T62-W154 HydrophobicContact CG2-CZ2 4.49Å |
| 63 | W | 97.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.7 | 176.2 | -67 | 7.7 | 0 | 0 | 0 | 108.9 | F43 L51 V53 F80 T83 A84 N87 P94 V95 I96 V97 | F43-W63 HydrophobicContact CB-CH2 3.83Å; F43-W63 HydrophobicContact CB-CZ2 4.45Å; F43-W63 HydrophobicContact CB-CZ3 4.46Å; F43-W63 AromaticContact CD1-CH2 3.71Å; F43-W63 HydrophobicContact CD1-CH2 3.71Å; F43-W63 AromaticContact CD1-CZ2 3.47Å; F43-W63 HydrophobicContact CD1-CZ2 3.47Å; F43-W63 VanDerWaalsContact CD1-CZ2 3.47Å; F43-W63 AromaticContact CD2-CH2 3.86Å; F43-W63 HydrophobicContact CD2-CH2 3.86Å; F43-W63 AromaticContact CD2-CZ2 3.86Å; F43-W63 HydrophobicContact CD2-CZ2 3.86Å; F43-W63 HydrophobicContact CD2-CZ3 4.34Å; F43-W63 HydrophobicContact CE1-CH2 4.17Å; F43-W63 AromaticContact CE1-CZ2 3.45Å; F43-W63 HydrophobicContact CE1-CZ2 3.45Å; F43-W63 VanDerWaalsContact CE1-CZ2 3.45Å; F43-W63 AromaticContact CE2-CE2 3.93Å; F43-W63 HydrophobicContact CE2-CH2 4.31Å; F43-W63 AromaticContact CE2-CZ2 3.84Å; F43-W63 HydrophobicContact CE2-CZ2 3.84Å; F43-W63 AromaticContact CG-CH2 3.51Å; F43-W63 HydrophobicContact CG-CH2 3.51Å; F43-W63 AromaticContact CG-CZ2 3.66Å; F43-W63 HydrophobicContact CG-CZ2 3.66Å; F43-W63 HydrophobicContact CG-CZ3 4.31Å; F43-W63 AromaticContact CZ-CE2 3.81Å; F43-W63 HydrophobicContact CZ-CH2 4.44Å; F43-W63 AromaticContact CZ-CZ2 3.63Å; F43-W63 HydrophobicContact CZ-CZ2 3.63Å; F43-W63 AromaticContact CZ-NE1 3.88Å; L51-W63 HydrophobicContact CD2-CZ3 4.37Å; V53-W63 HydrophobicContact CG1-CB 3.7Å; V53-W63 HydrophobicContact CG1-CD2 4.38Å; V53-W63 HydrophobicContact CG1-CG 3.96Å; V53-W63 HydrophobicContact CG2-CB 4.47Å; V53-W63 HydrophobicContact CG2-CD2 3.79Å; V53-W63 HydrophobicContact CG2-CE3 3.47Å; V53-W63 VanDerWaalsContact CG2-CE3 3.47Å; V53-W63 HydrophobicContact CG2-CG 4.24Å; V53-W63 HydrophobicContact CG2-CZ3 3.91Å; W63-F80 HydrophobicContact CE3-CD1 4.32Å; W63-T83 HydrophobicContact CH2-CG2 4.21Å; W63-T83 HydrophobicContact CZ3-CG2 4.14Å; W63-A84 HydrophobicContact CE3-CB 4.27Å; W63-A84 HydrophobicContact CH2-CB 4.4Å; W63-A84 HydrophobicContact CZ3-CB 4Å; W63-N87 HydrophobicContact CH2-CB 3.65Å; W63-N87 HydrophobicContact CZ2-CB 3.75Å; W63-P94 HydrophobicContact CD2-CB 4.05Å; W63-P94 HydrophobicContact CD2-CG 4.31Å; W63-P94 HydrophobicContact CG-CB 3.91Å; W63-P94 HydrophobicContact CZ2-CG 3.97Å; W63-V95 PolarHBondContact N-O 3.49Å; W63-I96 HydrophobicContact CB-CD1 3.68Å; W63-I96 HydrophobicContact CD2-CD1 4.04Å; W63-I96 HydrophobicContact CE3-CD1 3.73Å; W63-I96 HydrophobicContact CG-CD1 4.07Å; W63-I96 WeakPolarHBondContact O-CA 3.28Å; W63-V97 PolarHBondContact O-N 3.17Å |
| 64 | I | 96.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.8 | -177.4 | -47.3 | 175.7 | 0 | 0 | 0 | 108.9 | T29 V33 D54 V55 A57 T62 V97 R99 | T29-I64 HydrophobicContact CG2-CB 4.49Å; T29-I64 HydrophobicContact CG2-CD1 4.04Å; T29-I64 HydrophobicContact CG2-CG2 3.92Å; V33-I64 HydrophobicContact CB-CD1 4.41Å; V33-I64 HydrophobicContact CG1-CD1 3.83Å; V33-I64 HydrophobicContact CG2-CD1 4.07Å; D54-I64 PolarHBondContact N-O 2.98Å; V55-I64 HydrophobicContact CB-CB 4.19Å; V55-I64 PolarHBondContact N-O 2.57Å; V55-I64 VanDerWaalsContact N-O 3.1Å; V55-I64 PolarHBondContact O-N 3.48Å; A57-I64 HydrophobicContact CB-CD1 4.29Å; T62-I64 HydrophobicContact CG2-CG1 4.17Å; I64-V97 CarbonylContact C-O 3.57Å; I64-V97 VanDerWaalsContact CA-O 3.3Å; I64-V97 WeakPolarHBondContact CA-O 3.45Å; I64-V97 HydrophobicContact CG1-CB 4.2Å; I64-V97 HydrophobicContact CG2-CB 4.35Å; I64-R99 HydrophobicContact CG2-CB 4.01Å |
| 65 | K | 95 | Very high | 87.9 | Confident | 22 Ų | 22 | 36.7 Ų | 36.7 | 10% | 0.096 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.2 | 169.6 | -176.6 | 73.8 | -157.6 | 163.5 | 0 | 108.9 | D54 I67 F80 V97 F98 R99 | D54-K65 VanDerWaalsContact CG-NZ 3.31Å; D54-K65 IonicContact OD1-NZ 3.66Å; D54-K65 PolarHBondContact OD1-NZ 3.41Å; D54-K65 VanDerWaalsContact OD2-CD 3.26Å; D54-K65 WeakPolarHBondContact OD2-CD 3.49Å; D54-K65 WeakPolarHBondContact OD2-CE 3.35Å; D54-K65 IonicContact OD2-NZ 2.65Å; D54-K65 PolarHBondContact OD2-NZ 3.11Å; K65-I67 HydrophobicContact CB-CD1 4.35Å; K65-I67 HydrophobicContact CG-CD1 3.54Å; K65-F80 HydrophobicContact CB-CE1 4.12Å; K65-F80 HydrophobicContact CB-CE2 4.36Å; K65-F80 HydrophobicContact CB-CZ 3.85Å; K65-F80 HydrophobicContact CD-CE2 3.82Å; K65-F80 HydrophobicContact CD-CZ 3.52Å; K65-F80 HydrophobicContact CG-CE2 4.22Å; K65-F80 HydrophobicContact CG-CZ 4.03Å; K65-V97 PolarHBondContact N-O 2.97Å; K65-F98 HydrophobicContact CB-CD1 3.75Å; K65-F98 HydrophobicContact CB-CE1 3.76Å; K65-F98 HydrophobicContact CB-CG 4.48Å; K65-F98 HydrophobicContact CG-CD1 4.49Å; K65-F98 HydrophobicContact CG-CE1 4.28Å; K65-F98 WeakPolarHBondContact O-CA 3.46Å; K65-R99 PolarHBondContact O-N 2.77Å |
| 66 | V | 92.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 124 | 176.2 | 178 | 0 | 0 | 0 | 0 | 109.1 | E25 V26 D54 C101 | E25-V66 HydrophobicContact CB-CG1 3.59Å; V26-V66 HydrophobicContact CG2-CB 4.05Å; V26-V66 HydrophobicContact CG2-CG2 3.84Å; D54-V66 HydrophobicContact CB-CG2 4.39Å; D54-V66 PolarHBondContact OD2-N 2.86Å; V66-C101 WeakPolarHBondContact CG1-SG 3.23Å |
| 67 | I | 90.5 | Very high | 87.6 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.046 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 111.9 | -175 | -51.4 | -56.7 | 0 | 0 | 0 | 109.7 | K65 L73 F98 R99 F100 C101 | K65-I67 HydrophobicContact CB-CD1 4.35Å; K65-I67 HydrophobicContact CG-CD1 3.54Å; I67-L73 HydrophobicContact CD1-CD2 3.78Å; I67-L73 HydrophobicContact CG1-CD2 4.37Å; I67-L73 HydrophobicContact CG2-CD1 4.02Å; I67-L73 HydrophobicContact CG2-CD2 3.77Å; I67-F98 HydrophobicContact CD1-CD2 3.9Å; I67-F98 HydrophobicContact CD1-CE2 4.21Å; I67-F98 HydrophobicContact CD1-CG 4.27Å; I67-F98 HydrophobicContact CG1-CB 4.12Å; I67-F98 HydrophobicContact CG1-CD2 4.05Å; I67-F98 HydrophobicContact CG1-CG 4.22Å; I67-R99 PolarHBondContact N-O 3.21Å; I67-F100 HydrophobicContact CB-CD1 4Å; I67-F100 HydrophobicContact CB-CD2 4.44Å; I67-F100 HydrophobicContact CB-CE1 4.18Å; I67-F100 HydrophobicContact CB-CG 4.14Å; I67-F100 HydrophobicContact CB-CZ 4.47Å; I67-F100 HydrophobicContact CG1-CD2 4.45Å; I67-F100 HydrophobicContact CG1-CE2 4.31Å; I67-F100 HydrophobicContact CG1-CZ 4.36Å; I67-F100 HydrophobicContact CG2-CD1 3.73Å; I67-F100 HydrophobicContact CG2-CE1 3.62Å; I67-F100 HydrophobicContact CG2-CG 4.38Å; I67-F100 HydrophobicContact CG2-CZ 4.19Å; I67-C101 PolarHBondContact O-N 2.61Å; I67-C101 VanDerWaalsContact O-N 3.1Å |
| 68 | S | 78.5 | Confident | 87.7 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 34% | 0.343 | 24% | 0.236 | S | C | . | . | trans | -114.4 | -1.1 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 69 | G | 69.8 | Low | 87.9 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -154.4 | -176.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 70 | R | 60 | Low | 88.3 | Confident | 157 Ų | 157 | 42.1 Ų | 42.1 | 59% | 0.592 | 23% | 0.225 | S | C | * | . | trans | -106.4 | 10.4 | -162.5 | -78.9 | -173.2 | 166.4 | 175.2 | -3.7 | 117.1 | ||||
| 71 | Q | 65.7 | Low | 88.5 | Confident | 167 Ų | 167 | 43 Ų | 43 | 78% | 0.78 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -89.9 | 121.2 | -170.4 | -67.8 | -104.1 | -25.9 | 0 | 0 | 112.1 | L73 | Q71-L73 VanDerWaalsContact C-N 3.34Å; Q71-L73 PolarHBondContact O-N 3.27Å; Q71-L73 VanDerWaalsContact O-N 3.08Å |
| 72 | N | 82.5 | Confident | 88.6 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | trans | 38.8 | 50.6 | 163.7 | -87 | -52 | 0 | 0 | 0 | 116.8 | L74 A75 Q76 E136 | N72-L74 VanDerWaalsContact C-N 3.28Å; N72-L74 PolarHBondContact O-N 3.17Å; N72-A75 HydrophobicContact CB-CB 4.43Å; N72-A75 PolarHBondContact O-N 3.06Å; N72-Q76 PolarHBondContact O-N 2.82Å; N72-E136 PolarHBondContact ND2-OE1 2.84Å; N72-E136 PolarHBondContact OD1-OE1 2.96Å; N72-E136 PolarHBondContact OD1-OE2 3.45Å | ||
| 73 | L | 90.2 | Very high | 88.6 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -27.8 | -173.4 | -66.7 | 173.5 | 0 | 0 | 0 | 113.8 | I67 Q71 A77 F100 L108 | I67-L73 HydrophobicContact CD1-CD2 3.78Å; I67-L73 HydrophobicContact CG1-CD2 4.37Å; I67-L73 HydrophobicContact CG2-CD1 4.02Å; I67-L73 HydrophobicContact CG2-CD2 3.77Å; Q71-L73 VanDerWaalsContact C-N 3.34Å; Q71-L73 PolarHBondContact O-N 3.27Å; Q71-L73 VanDerWaalsContact O-N 3.08Å; L73-A77 VanDerWaalsContact O-CB 3.32Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.47Å; L73-F100 HydrophobicContact CD1-CE1 3.8Å; L73-F100 HydrophobicContact CD1-CZ 3.99Å; L73-L108 HydrophobicContact CD1-CD2 3.71Å |
| 74 | L | 92.2 | Very high | 88.4 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 20% | 0.199 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.5 | -46.1 | 177.5 | -60.9 | 176.1 | 0 | 0 | 0 | 111.4 | N72 Q76 A77 E78 L108 R111 L112 L115 | N72-L74 VanDerWaalsContact C-N 3.28Å; N72-L74 PolarHBondContact O-N 3.17Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 2.95Å; L74-A77 WeakPolarHBondContact O-CB 3.26Å; L74-A77 PolarHBondContact O-N 2.96Å; L74-A77 VanDerWaalsContact O-N 3.12Å; L74-E78 WeakPolarHBondContact O-CG 3.3Å; L74-E78 PolarHBondContact O-N 2.8Å; L74-L108 HydrophobicContact CD2-CD1 4.2Å; L74-L108 HydrophobicContact CG-CD1 4.45Å; L74-R111 HydrophobicContact CD2-CB 4.01Å; L74-L112 HydrophobicContact CD2-CD2 3.94Å; L74-L112 HydrophobicContact CD2-CG 4.24Å; L74-L115 HydrophobicContact CB-CD1 4.42Å; L74-L115 HydrophobicContact CD2-CD1 3.82Å |
| 75 | A | 91.6 | Very high | 88.1 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N72 E78 Q79 | N72-A75 HydrophobicContact CB-CB 4.43Å; N72-A75 PolarHBondContact O-N 3.06Å; A75-E78 PolarHBondContact O-N 3.21Å; A75-Q79 PolarHBondContact O-N 3.13Å |
| 76 | Q | 92.7 | Very high | 87.7 | Confident | 55 Ų | 55 | 49.7 Ų | 49.7 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 173.7 | -173.1 | 171 | 56.4 | 0 | 0 | 111.8 | N72 L74 Q79 F80 F98 | N72-Q76 PolarHBondContact O-N 2.82Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 2.95Å; Q76-Q79 PolarHBondContact O-N 2.93Å; Q76-F80 HydrophobicContact CG-CD2 3.99Å; Q76-F80 HydrophobicContact CG-CE2 4.04Å; Q76-F80 WeakPolarHBondContact O-CD2 3.06Å; Q76-F80 PolarHBondContact O-N 2.88Å; Q76-F98 HydrophobicContact CB-CZ 4.47Å; Q76-F98 HydrophobicContact CG-CZ 4.11Å |
| 77 | A | 94.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L73 L74 Q79 F80 L81 F98 L112 L115 V117 | L73-A77 VanDerWaalsContact O-CB 3.32Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.47Å; L74-A77 WeakPolarHBondContact O-CB 3.26Å; L74-A77 PolarHBondContact O-N 2.96Å; L74-A77 VanDerWaalsContact O-N 3.12Å; A77-Q79 VanDerWaalsContact C-N 3.34Å; A77-Q79 PolarHBondContact O-N 2.89Å; A77-F80 WeakPolarHBondContact O-CA 3.4Å; A77-F80 WeakPolarHBondContact O-CB 3.24Å; A77-F80 PolarHBondContact O-N 2.85Å; A77-L81 VanDerWaalsContact O-CG 3.31Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 3.47Å; A77-F98 HydrophobicContact CB-CE2 4.13Å; A77-F98 HydrophobicContact CB-CZ 4.05Å; A77-L112 HydrophobicContact CB-CD2 3.65Å; A77-L115 HydrophobicContact CB-CD1 4.3Å; A77-V117 HydrophobicContact CB-CG2 3.75Å |
| 78 | E | 95.1 | Very high | 87.1 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.4 | -47.8 | 177 | -70.3 | 175 | 168.7 | 0 | 0 | 112 | L74 A75 F80 L81 E82 | L74-E78 WeakPolarHBondContact O-CG 3.3Å; L74-E78 PolarHBondContact O-N 2.8Å; A75-E78 PolarHBondContact O-N 3.21Å; E78-F80 VanDerWaalsContact C-N 3.29Å; E78-F80 PolarHBondContact O-N 2.96Å; E78-L81 WeakPolarHBondContact O-CB 3.34Å; E78-L81 PolarHBondContact O-N 2.61Å; E78-E82 WeakPolarHBondContact O-CG 3.28Å; E78-E82 PolarHBondContact O-N 3.46Å |
| 79 | Q | 94.4 | Very high | 87.1 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.5 | -40.4 | 176.6 | -169.2 | -175.4 | 30.4 | 0 | 0 | 112.6 | L51 A75 Q76 A77 T83 | L51-Q79 HydrophobicContact CD1-CG 4.11Å; A75-Q79 PolarHBondContact O-N 3.13Å; Q76-Q79 PolarHBondContact O-N 2.93Å; A77-Q79 VanDerWaalsContact C-N 3.34Å; A77-Q79 PolarHBondContact O-N 2.89Å; Q79-T83 VanDerWaalsContact O-CB 3.3Å; Q79-T83 WeakPolarHBondContact O-CB 3.44Å; Q79-T83 PolarHBondContact O-N 3.49Å; Q79-T83 PolarHBondContact O-OG1 3.25Å |
| 80 | F | 96.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 173.8 | -95.7 | -102.2 | 0 | 0 | 0 | 111.7 | L51 V53 W63 K65 Q76 A77 E78 A84 I96 F98 | L51-F80 HydrophobicContact CD1-CD2 3.87Å; L51-F80 HydrophobicContact CD1-CE2 3.65Å; L51-F80 HydrophobicContact CD1-CZ 4.26Å; L51-F80 HydrophobicContact CD2-CB 4.35Å; L51-F80 HydrophobicContact CD2-CD1 3.96Å; L51-F80 HydrophobicContact CD2-CD2 3.82Å; L51-F80 HydrophobicContact CD2-CE1 4.16Å; L51-F80 HydrophobicContact CD2-CE2 4.02Å; L51-F80 HydrophobicContact CD2-CG 3.78Å; L51-F80 HydrophobicContact CD2-CZ 4.15Å; L51-F80 HydrophobicContact CG-CD2 4.32Å; L51-F80 HydrophobicContact CG-CE2 4.09Å; L51-F80 HydrophobicContact CG-CZ 4.26Å; V53-F80 HydrophobicContact CB-CE1 4.49Å; V53-F80 HydrophobicContact CG2-CE1 3.88Å; V53-F80 HydrophobicContact CG2-CZ 4.43Å; W63-F80 HydrophobicContact CE3-CD1 4.32Å; K65-F80 HydrophobicContact CB-CE1 4.12Å; K65-F80 HydrophobicContact CB-CE2 4.36Å; K65-F80 HydrophobicContact CB-CZ 3.85Å; K65-F80 HydrophobicContact CD-CE2 3.82Å; K65-F80 HydrophobicContact CD-CZ 3.52Å; K65-F80 HydrophobicContact CG-CE2 4.22Å; K65-F80 HydrophobicContact CG-CZ 4.03Å; Q76-F80 HydrophobicContact CG-CD2 3.99Å; Q76-F80 HydrophobicContact CG-CE2 4.04Å; Q76-F80 WeakPolarHBondContact O-CD2 3.06Å; Q76-F80 PolarHBondContact O-N 2.88Å; A77-F80 WeakPolarHBondContact O-CA 3.4Å; A77-F80 WeakPolarHBondContact O-CB 3.24Å; A77-F80 PolarHBondContact O-N 2.85Å; E78-F80 VanDerWaalsContact C-N 3.29Å; E78-F80 PolarHBondContact O-N 2.96Å; F80-A84 WeakPolarHBondContact O-CB 3.39Å; F80-A84 PolarHBondContact O-N 3.21Å; F80-I96 HydrophobicContact CB-CG2 3.92Å; F80-I96 HydrophobicContact CD1-CD1 4.32Å; F80-I96 HydrophobicContact CD1-CG2 3.85Å; F80-I96 HydrophobicContact CG-CG2 4.19Å; F80-F98 HydrophobicContact CD1-CE1 4.47Å; F80-F98 HydrophobicContact CD2-CE1 4.22Å; F80-F98 HydrophobicContact CD2-CZ 4.3Å; F80-F98 HydrophobicContact CG-CE1 4.16Å |
| 81 | L | 95.4 | Very high | 88 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -50 | 178.4 | -55.3 | 172.7 | 0 | 0 | 0 | 110.7 | A77 E78 T83 A84 D85 L115 V117 | A77-L81 VanDerWaalsContact O-CG 3.31Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 3.47Å; E78-L81 WeakPolarHBondContact O-CB 3.34Å; E78-L81 PolarHBondContact O-N 2.61Å; L81-T83 PolarHBondContact O-N 3.49Å; L81-A84 PolarHBondContact O-N 3.35Å; L81-D85 VanDerWaalsContact O-CG 3.32Å; L81-D85 PolarHBondContact O-N 3.02Å; L81-L115 HydrophobicContact CD1-CB 4.38Å; L81-L115 WeakPolarHBondContact CD1-O 3.34Å; L81-V117 HydrophobicContact CD2-CG2 3.69Å; L81-V117 HydrophobicContact CG-CG2 4.32Å |
| 82 | E | 93.5 | Very high | 88.7 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | -179.1 | -70 | 179.7 | 165.5 | 0 | 0 | 112.7 | E78 D85 S86 | E78-E82 WeakPolarHBondContact O-CG 3.28Å; E78-E82 PolarHBondContact O-N 3.46Å; E82-D85 PolarHBondContact O-N 3.16Å; E82-S86 PolarHBondContact O-OG 3.34Å |
| 83 | T | 94.6 | Very high | 89 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | F43 D45 L51 W63 Q79 L81 D85 S86 N87 | F43-T83 HydrophobicContact CB-CG2 3.93Å; D45-T83 HydrophobicContact CB-CG2 4.35Å; L51-T83 HydrophobicContact CB-CG2 3.94Å; L51-T83 HydrophobicContact CD2-CG2 3.87Å; W63-T83 HydrophobicContact CH2-CG2 4.21Å; W63-T83 HydrophobicContact CZ3-CG2 4.14Å; Q79-T83 VanDerWaalsContact O-CB 3.3Å; Q79-T83 WeakPolarHBondContact O-CB 3.44Å; Q79-T83 PolarHBondContact O-N 3.49Å; Q79-T83 PolarHBondContact O-OG1 3.25Å; L81-T83 PolarHBondContact O-N 3.49Å; T83-D85 VanDerWaalsContact C-N 3.31Å; T83-D85 PolarHBondContact O-N 3.1Å; T83-S86 WeakPolarHBondContact O-CB 3.42Å; T83-S86 PolarHBondContact O-N 3.34Å; T83-S86 VanDerWaalsContact O-N 3.09Å; T83-N87 PolarHBondContact O-N 2.92Å; T83-N87 VanDerWaalsContact O-N 3.16Å; T83-N87 PolarHBondContact O-ND2 3.09Å |
| 84 | A | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | W63 F80 L81 S86 N87 R93 I96 | W63-A84 HydrophobicContact CE3-CB 4.27Å; W63-A84 HydrophobicContact CH2-CB 4.4Å; W63-A84 HydrophobicContact CZ3-CB 4Å; F80-A84 WeakPolarHBondContact O-CB 3.39Å; F80-A84 PolarHBondContact O-N 3.21Å; L81-A84 PolarHBondContact O-N 3.35Å; A84-S86 PolarHBondContact O-N 3.44Å; A84-S86 VanDerWaalsContact O-N 3.14Å; A84-N87 CarbonylContact O-C 3.55Å; A84-N87 PolarHBondContact O-N 3.32Å; A84-R93 HydrophobicContact CB-CG 4Å; A84-I96 HydrophobicContact CB-CD1 3.86Å; A84-I96 HydrophobicContact CB-CG1 4.35Å |
| 85 | D | 89.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.1 | 175 | -74.8 | -15.2 | 0 | 0 | 0 | 113.4 | L81 E82 T83 R93 | L81-D85 VanDerWaalsContact O-CG 3.32Å; L81-D85 PolarHBondContact O-N 3.02Å; E82-D85 PolarHBondContact O-N 3.16Å; T83-D85 VanDerWaalsContact C-N 3.31Å; T83-D85 PolarHBondContact O-N 3.1Å; D85-R93 WeakPolarHBondContact OD1-CD 2.95Å; D85-R93 IonicContact OD1-NE 2.63Å; D85-R93 PolarHBondContact OD1-NE 3.18Å |
| 86 | S | 86.3 | Confident | 89.5 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -13.6 | 178.7 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | R46 E82 T83 A84 T312 | R46-S86 WeakPolarHBondContact CG-OG 3.39Å; R46-S86 PolarHBondContact NE-OG 2.68Å; R46-S86 VanDerWaalsContact NE-OG 3.12Å; E82-S86 PolarHBondContact O-OG 3.34Å; T83-S86 WeakPolarHBondContact O-CB 3.42Å; T83-S86 PolarHBondContact O-N 3.34Å; T83-S86 VanDerWaalsContact O-N 3.09Å; A84-S86 PolarHBondContact O-N 3.44Å; A84-S86 VanDerWaalsContact O-N 3.14Å; S86-T312 WeakPolarHBondContact O-CG2 3.19Å; S86-T312 PolarHBondContact O-OG1 3.27Å |
| 87 | N | 88.5 | Confident | 89.7 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -123.4 | 55.5 | -176.4 | -67.7 | -85.1 | 0 | 0 | 0 | 110.7 | F43 L44 W63 T83 A84 H89 P94 | F43-N87 HydrophobicContact CD1-CB 3.95Å; L44-N87 PolarHBondContact O-ND2 2.69Å; W63-N87 HydrophobicContact CH2-CB 3.65Å; W63-N87 HydrophobicContact CZ2-CB 3.75Å; T83-N87 PolarHBondContact O-N 2.92Å; T83-N87 VanDerWaalsContact O-N 3.16Å; T83-N87 PolarHBondContact O-ND2 3.09Å; A84-N87 CarbonylContact O-C 3.55Å; A84-N87 PolarHBondContact O-N 3.32Å; N87-H89 PolarHBondContact O-N 3.03Å; N87-P94 WeakPolarHBondContact O-CG 3.35Å |
| 88 | V | 82.9 | Confident | 89.7 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | trans | -61.5 | 128.3 | -178.8 | -177 | 0 | 0 | 0 | 0 | 110.5 | K92 | V88-K92 CarbonylContact C-O 3.59Å; V88-K92 VanDerWaalsContact CG1-C 3.43Å; V88-K92 VanDerWaalsContact CG1-O 3.26Å; V88-K92 WeakPolarHBondContact CG1-O 3.47Å | ||
| 89 | H | 78.3 | Confident | 89.6 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -102.3 | 121.1 | 174.9 | -176.9 | 76.5 | 0 | 0 | 0 | 110.1 | N59 A61 N87 F91 K92 P94 | N59-H89 PolarHBondContact O-CE1 2.91Å; N59-H89 PolarHBondContact O-NE2 3.42Å; A61-H89 PolarHBondContact N-CD2 3.43Å; N87-H89 PolarHBondContact O-N 3.03Å; H89-F91 VanDerWaalsContact C-N 3.27Å; H89-F91 PolarHBondContact O-N 2.6Å; H89-K92 CarbonylContact C-O 3.4Å; H89-K92 PolarHBondContact N-O 2.94Å; H89-K92 PolarHBondContact O-N 2.73Å; H89-P94 HydrophobicContact CB-CG 4.17Å |
| 90 | R | 76.2 | Confident | 89.4 | Confident | 182 Ų | 182 | 47.5 Ų | 47.5 | 69% | 0.687 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 48 | -177.6 | -63.2 | 178.1 | 179.8 | 176.6 | 1 | 112.8 | K92 | R90-K92 PolarHBondContact O-N 3.39Å; R90-K92 VanDerWaalsContact O-N 3.08Å |
| 91 | F | 73.5 | Confident | 88.8 | Confident | 179 Ų | 179 | 49 Ų | 49 | 79% | 0.785 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 6.2 | -179.1 | -47.2 | -79.1 | 0 | 0 | 0 | 115.7 | H89 | H89-F91 VanDerWaalsContact C-N 3.27Å; H89-F91 PolarHBondContact O-N 2.6Å |
| 92 | K | 79.2 | Confident | 88.1 | Confident | 108 Ų | 108 | 54.1 Ų | 54.1 | 47% | 0.47 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -115.3 | 142.1 | 172 | -66.6 | -179.2 | -179.1 | 173.1 | 0 | 111.1 | V88 H89 R90 E163 | V88-K92 CarbonylContact C-O 3.59Å; V88-K92 VanDerWaalsContact CG1-C 3.43Å; V88-K92 VanDerWaalsContact CG1-O 3.26Å; V88-K92 WeakPolarHBondContact CG1-O 3.47Å; H89-K92 CarbonylContact C-O 3.4Å; H89-K92 PolarHBondContact N-O 2.94Å; H89-K92 PolarHBondContact O-N 2.73Å; R90-K92 PolarHBondContact O-N 3.39Å; R90-K92 VanDerWaalsContact O-N 3.08Å; K92-E163 IonicContact NZ-OE1 2.78Å |
| 93 | R | 89.5 | Confident | 87.6 | Confident | 85 Ų | 85 | 49.2 Ų | 49.2 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 130.5 | 167.4 | 179.5 | -168 | 178.2 | -110.1 | -37.3 | 108.5 | A84 D85 | A84-R93 HydrophobicContact CB-CG 4Å; D85-R93 WeakPolarHBondContact OD1-CD 2.95Å; D85-R93 IonicContact OD1-NE 2.63Å; D85-R93 PolarHBondContact OD1-NE 3.18Å |
| 94 | P | 93.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 141.7 | 173.6 | -24.8 | 33.6 | 0 | 0 | 0 | 111.9 | A61 W63 N87 H89 I96 | A61-P94 CarbonylContact O-C 3.58Å; A61-P94 VanDerWaalsContact O-CA 3.24Å; A61-P94 WeakPolarHBondContact O-CA 3.34Å; W63-P94 HydrophobicContact CD2-CB 4.05Å; W63-P94 HydrophobicContact CD2-CG 4.31Å; W63-P94 HydrophobicContact CG-CB 3.91Å; W63-P94 HydrophobicContact CZ2-CG 3.97Å; N87-P94 WeakPolarHBondContact O-CG 3.35Å; H89-P94 HydrophobicContact CB-CG 4.17Å; P94-I96 PolarHBondContact O-N 3.34Å |
| 95 | V | 94.3 | Very high | 86.8 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 129.1 | 171.9 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | A61 T62 W63 V97 Q118 Y159 | A61-V95 PolarHBondContact O-N 3.17Å; T62-V95 CarbonylContact C-O 3.6Å; T62-V95 WeakPolarHBondContact CA-O 3.25Å; W63-V95 PolarHBondContact N-O 3.49Å; V95-V97 HydrophobicContact CG1-CG2 4.26Å; V95-Q118 HydrophobicContact CG1-CG 3.69Å; V95-Y159 HydrophobicContact CG1-CE2 4.34Å; V95-Y159 HydrophobicContact CG2-CE2 3.98Å; V95-Y159 VanDerWaalsContact CG2-OH 3.32Å; V95-Y159 WeakPolarHBondContact CG2-OH 3.35Å |
| 96 | I | 96.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.6 | 179.8 | -52.9 | -51.2 | 0 | 0 | 0 | 108.9 | W63 F80 A84 P94 F98 V117 Q118 | W63-I96 HydrophobicContact CB-CD1 3.68Å; W63-I96 HydrophobicContact CD2-CD1 4.04Å; W63-I96 HydrophobicContact CE3-CD1 3.73Å; W63-I96 HydrophobicContact CG-CD1 4.07Å; W63-I96 WeakPolarHBondContact O-CA 3.28Å; F80-I96 HydrophobicContact CB-CG2 3.92Å; F80-I96 HydrophobicContact CD1-CD1 4.32Å; F80-I96 HydrophobicContact CD1-CG2 3.85Å; F80-I96 HydrophobicContact CG-CG2 4.19Å; A84-I96 HydrophobicContact CB-CD1 3.86Å; A84-I96 HydrophobicContact CB-CG1 4.35Å; P94-I96 PolarHBondContact O-N 3.34Å; I96-F98 HydrophobicContact CG2-CD1 4.1Å; I96-F98 HydrophobicContact CG2-CE1 3.9Å; I96-V117 HydrophobicContact CB-CG2 4.43Å; I96-V117 HydrophobicContact CG2-CG1 4.17Å; I96-V117 HydrophobicContact CG2-CG2 4.18Å; I96-Q118 WeakPolarHBondContact O-CB 3.38Å; I96-Q118 PolarHBondContact O-N 3.18Å |
| 97 | V | 96.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125 | 179.3 | -173 | 0 | 0 | 0 | 0 | 109.3 | T62 W63 I64 K65 V95 Q118 Q120 W154 | T62-V97 HydrophobicContact CG2-CG2 3.73Å; W63-V97 PolarHBondContact O-N 3.17Å; I64-V97 CarbonylContact C-O 3.57Å; I64-V97 VanDerWaalsContact CA-O 3.3Å; I64-V97 WeakPolarHBondContact CA-O 3.45Å; I64-V97 HydrophobicContact CG1-CB 4.2Å; I64-V97 HydrophobicContact CG2-CB 4.35Å; K65-V97 PolarHBondContact N-O 2.97Å; V95-V97 HydrophobicContact CG1-CG2 4.26Å; V97-Q118 CarbonylContact C-O 3.51Å; V97-Q118 VanDerWaalsContact CA-O 3.32Å; V97-Q118 WeakPolarHBondContact CA-O 3.3Å; V97-Q118 HydrophobicContact CB-CB 4.48Å; V97-Q118 HydrophobicContact CG2-CB 4.08Å; V97-Q120 HydrophobicContact CG1-CB 4.12Å; V97-W154 HydrophobicContact CG1-CD2 3.91Å; V97-W154 HydrophobicContact CG1-CE3 3.87Å; V97-W154 HydrophobicContact CG1-CG 4.23Å; V97-W154 HydrophobicContact CG1-CZ3 4.28Å; V97-W154 HydrophobicContact CG2-CD2 4.06Å; V97-W154 HydrophobicContact CG2-CG 4.39Å; V97-W154 HydrophobicContact CG2-CH2 4.45Å; V97-W154 HydrophobicContact CG2-CZ2 3.98Å |
| 98 | F | 95.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.8 | 169.3 | -82.9 | 25.3 | 0 | 0 | 0 | 108.5 | K65 I67 Q76 A77 F80 I96 F100 L112 V117 Q118 Q120 | K65-F98 HydrophobicContact CB-CD1 3.75Å; K65-F98 HydrophobicContact CB-CE1 3.76Å; K65-F98 HydrophobicContact CB-CG 4.48Å; K65-F98 HydrophobicContact CG-CD1 4.49Å; K65-F98 HydrophobicContact CG-CE1 4.28Å; K65-F98 WeakPolarHBondContact O-CA 3.46Å; I67-F98 HydrophobicContact CD1-CD2 3.9Å; I67-F98 HydrophobicContact CD1-CE2 4.21Å; I67-F98 HydrophobicContact CD1-CG 4.27Å; I67-F98 HydrophobicContact CG1-CB 4.12Å; I67-F98 HydrophobicContact CG1-CD2 4.05Å; I67-F98 HydrophobicContact CG1-CG 4.22Å; Q76-F98 HydrophobicContact CB-CZ 4.47Å; Q76-F98 HydrophobicContact CG-CZ 4.11Å; A77-F98 HydrophobicContact CB-CE2 4.13Å; A77-F98 HydrophobicContact CB-CZ 4.05Å; F80-F98 HydrophobicContact CD1-CE1 4.47Å; F80-F98 HydrophobicContact CD2-CE1 4.22Å; F80-F98 HydrophobicContact CD2-CZ 4.3Å; F80-F98 HydrophobicContact CG-CE1 4.16Å; I96-F98 HydrophobicContact CG2-CD1 4.1Å; I96-F98 HydrophobicContact CG2-CE1 3.9Å; F98-F100 HydrophobicContact CB-CE2 3.98Å; F98-L112 HydrophobicContact CD2-CD1 4.2Å; F98-L112 HydrophobicContact CD2-CD2 4.15Å; F98-L112 HydrophobicContact CE2-CD2 4.26Å; F98-V117 HydrophobicContact CB-CG1 4.04Å; F98-V117 HydrophobicContact CD1-CG1 3.65Å; F98-V117 HydrophobicContact CD2-CG1 4.38Å; F98-V117 HydrophobicContact CE1-CG1 4.21Å; F98-V117 HydrophobicContact CG-CG1 3.76Å; F98-Q118 PolarHBondContact N-O 2.74Å; F98-Q120 PolarHBondContact O-N 3.4Å |
| 99 | R | 93.4 | Very high | 87 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 113.3 | 179.9 | -173.5 | -180 | -175.5 | 123.1 | -5 | 110.4 | T29 S32 I64 K65 I67 Q120 | T29-R99 VanDerWaalsContact OG1-CD 3.32Å; T29-R99 WeakPolarHBondContact OG1-CD 3.42Å; S32-R99 PolarHBondContact OG-NH1 2.95Å; I64-R99 HydrophobicContact CG2-CB 4.01Å; K65-R99 PolarHBondContact O-N 2.77Å; I67-R99 PolarHBondContact N-O 3.21Å; R99-Q120 CarbonylContact C-O 3.55Å; R99-Q120 VanDerWaalsContact CA-O 3.3Å; R99-Q120 WeakPolarHBondContact CA-O 3.47Å; R99-Q120 HydrophobicContact CB-CB 4.34Å; R99-Q120 HydrophobicContact CG-CB 4.2Å; R99-Q120 HydrophobicContact CG-CG 4.24Å |
| 100 | F | 90.5 | Very high | 87.6 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.5 | -180 | -70.8 | -106.8 | 0 | 0 | 0 | 111.1 | I67 L73 F98 G103 A104 L108 L112 V119 Q120 A121 | I67-F100 HydrophobicContact CB-CD1 4Å; I67-F100 HydrophobicContact CB-CD2 4.44Å; I67-F100 HydrophobicContact CB-CE1 4.18Å; I67-F100 HydrophobicContact CB-CG 4.14Å; I67-F100 HydrophobicContact CB-CZ 4.47Å; I67-F100 HydrophobicContact CG1-CD2 4.45Å; I67-F100 HydrophobicContact CG1-CE2 4.31Å; I67-F100 HydrophobicContact CG1-CZ 4.36Å; I67-F100 HydrophobicContact CG2-CD1 3.73Å; I67-F100 HydrophobicContact CG2-CE1 3.62Å; I67-F100 HydrophobicContact CG2-CG 4.38Å; I67-F100 HydrophobicContact CG2-CZ 4.19Å; L73-F100 HydrophobicContact CD1-CE1 3.8Å; L73-F100 HydrophobicContact CD1-CZ 3.99Å; F98-F100 HydrophobicContact CB-CE2 3.98Å; F100-G103 WeakPolarHBondContact CD1-O 3.01Å; F100-A104 HydrophobicContact CB-CB 4.32Å; F100-A104 HydrophobicContact CD1-CB 3.91Å; F100-A104 HydrophobicContact CD2-CB 3.97Å; F100-A104 HydrophobicContact CE1-CB 4.17Å; F100-A104 HydrophobicContact CE2-CB 4.24Å; F100-A104 HydrophobicContact CG-CB 3.81Å; F100-A104 HydrophobicContact CZ-CB 4.33Å; F100-L108 HydrophobicContact CE1-CD2 4.11Å; F100-L108 HydrophobicContact CZ-CD2 4.18Å; F100-L112 HydrophobicContact CE2-CD1 3.93Å; F100-L112 HydrophobicContact CZ-CD1 3.78Å; F100-V119 HydrophobicContact CD2-CG1 3.97Å; F100-V119 HydrophobicContact CE2-CG1 3.91Å; F100-Q120 PolarHBondContact N-O 3.04Å; F100-A121 HydrophobicContact CB-CB 3.77Å; F100-A121 HydrophobicContact CD2-CB 4.2Å; F100-A121 HydrophobicContact CG-CB 4.25Å |
| 101 | C | 83.6 | Confident | 88.3 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -29.2 | -178.9 | -53.7 | 0 | 0 | 0 | 0 | 113 | E25 V66 I67 | E25-C101 VanDerWaalsContact CB-SG 3.51Å; E25-C101 HydrophobicContact CG-CB 3.96Å; E25-C101 WeakPolarHBondContact CG-SG 3.38Å; E25-C101 PolarHBondContact OE2-SG 3.28Å; V66-C101 WeakPolarHBondContact CG1-SG 3.23Å; I67-C101 PolarHBondContact O-N 2.61Å; I67-C101 VanDerWaalsContact O-N 3.1Å |
| 102 | H | 80.4 | Confident | 89.2 | Confident | 133 Ų | 133 | 38.7 Ų | 38.7 | 62% | 0.616 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 22.5 | -174.4 | -52.7 | 102.7 | 0 | 0 | 0 | 112.2 | ||
| 103 | G | 82.8 | Confident | 89.9 | Confident | 18 Ų | 18 | 35.7 Ų | 35.7 | 19% | 0.186 | 18% | 0.175 | C | C | . | . | trans | 78.6 | 169.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F100 S122 | F100-G103 WeakPolarHBondContact CD1-O 3.01Å; G103-S122 CarbonylContact C-O 3.44Å; G103-S122 WeakPolarHBondContact CA-O 3.29Å | ||
| 104 | A | 85.2 | Confident | 90 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | F100 A109 V119 A121 S122 L123 V124 | F100-A104 HydrophobicContact CB-CB 4.32Å; F100-A104 HydrophobicContact CD1-CB 3.91Å; F100-A104 HydrophobicContact CD2-CB 3.97Å; F100-A104 HydrophobicContact CE1-CB 4.17Å; F100-A104 HydrophobicContact CE2-CB 4.24Å; F100-A104 HydrophobicContact CG-CB 3.81Å; F100-A104 HydrophobicContact CZ-CB 4.33Å; A104-A109 HydrophobicContact CB-CB 4.42Å; A104-V119 HydrophobicContact CB-CG1 4.45Å; A104-A121 HydrophobicContact CB-CB 3.52Å; A104-S122 PolarHBondContact N-O 2.8Å; A104-L123 WeakPolarHBondContact O-CA 3.46Å; A104-V124 PolarHBondContact O-N 3.28Å |
| 105 | A | 86.4 | Confident | 90 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L108 A109 L126 Y132 | A105-L108 HydrophobicContact CB-CB 4.47Å; A105-L108 WeakPolarHBondContact O-CB 3.43Å; A105-L108 PolarHBondContact O-N 3.17Å; A105-L108 VanDerWaalsContact O-N 3.13Å; A105-A109 PolarHBondContact O-N 3.03Å; A105-L126 HydrophobicContact CB-CD1 3.51Å; A105-L126 HydrophobicContact CB-CD2 4.3Å; A105-L126 HydrophobicContact CB-CG 3.79Å; A105-Y132 HydrophobicContact CB-CE2 4.4Å |
| 106 | E | 86.9 | Confident | 90 | Very high | 66 Ų | 66 | 40.5 Ų | 40.5 | 31% | 0.308 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.1 | -43.9 | -176 | -166.1 | -172.3 | 147.4 | 0 | 0 | 113.9 | L108 A109 R110 L123 V151 | E106-L108 VanDerWaalsContact C-N 3.28Å; E106-L108 PolarHBondContact O-N 3.28Å; E106-A109 PolarHBondContact O-N 2.75Å; E106-R110 HydrophobicContact CG-CG 4.48Å; E106-R110 WeakPolarHBondContact O-CG 3.47Å; E106-R110 PolarHBondContact O-N 3.26Å; E106-R110 IonicContact OE1-CZ 2.72Å; E106-R110 IonicContact OE1-NE 3.13Å; E106-R110 PolarHBondContact OE1-NE 2.58Å; E106-R110 IonicContact OE1-NH2 4Å; E106-R110 PolarHBondContact OE1-NH2 2.76Å; E106-L123 HydrophobicContact CB-CD2 4.34Å; E106-L123 HydrophobicContact CG-CD1 4.29Å; E106-L123 HydrophobicContact CG-CD2 4.46Å; E106-V151 HydrophobicContact CG-CG2 3.71Å |
| 107 | P | 87.4 | Confident | 89.9 | Confident | 85 Ų | 85 | 40.4 Ų | 40.4 | 55% | 0.552 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.4 | -38.2 | 178.2 | -24.3 | 35.2 | 0 | 0 | 0 | 113 | R111 | P107-R111 WeakPolarHBondContact O-CG 3.24Å; P107-R111 PolarHBondContact O-N 3Å; P107-R111 VanDerWaalsContact O-N 3.09Å |
| 108 | L | 88.3 | Confident | 89.8 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.2 | -44.3 | 177.1 | 175.9 | 65 | 0 | 0 | 0 | 111.2 | L73 L74 F100 A105 E106 R110 R111 L112 | L73-L108 HydrophobicContact CD1-CD2 3.71Å; L74-L108 HydrophobicContact CD2-CD1 4.2Å; L74-L108 HydrophobicContact CG-CD1 4.45Å; F100-L108 HydrophobicContact CE1-CD2 4.11Å; F100-L108 HydrophobicContact CZ-CD2 4.18Å; A105-L108 HydrophobicContact CB-CB 4.47Å; A105-L108 WeakPolarHBondContact O-CB 3.43Å; A105-L108 PolarHBondContact O-N 3.17Å; A105-L108 VanDerWaalsContact O-N 3.13Å; E106-L108 VanDerWaalsContact C-N 3.28Å; E106-L108 PolarHBondContact O-N 3.28Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 3Å; L108-R111 PolarHBondContact O-N 3.03Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CD1-CG 4.45Å; L108-L112 HydrophobicContact CG-CD1 4.22Å; L108-L112 WeakPolarHBondContact O-CG 2.96Å; L108-L112 PolarHBondContact O-N 2.63Å |
| 109 | A | 89.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A104 A105 E106 R111 L112 L113 V119 L123 V151 | A104-A109 HydrophobicContact CB-CB 4.42Å; A105-A109 PolarHBondContact O-N 3.03Å; E106-A109 PolarHBondContact O-N 2.75Å; A109-R111 PolarHBondContact O-N 3.47Å; A109-L112 PolarHBondContact O-N 3.22Å; A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.33Å; A109-L113 PolarHBondContact O-N 2.97Å; A109-V119 HydrophobicContact CB-CG1 4.11Å; A109-L123 HydrophobicContact CB-CD2 4.27Å; A109-V151 HydrophobicContact CB-CG1 4.5Å |
| 110 | R | 89.7 | Confident | 89.7 | Confident | 57 Ų | 57 | 42.7 Ų | 42.7 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 175 | -73.1 | 175 | 179.6 | -75.3 | 1 | 112.2 | E106 L108 L113 K114 Q149 V151 | E106-R110 HydrophobicContact CG-CG 4.48Å; E106-R110 WeakPolarHBondContact O-CG 3.47Å; E106-R110 PolarHBondContact O-N 3.26Å; E106-R110 IonicContact OE1-CZ 2.72Å; E106-R110 IonicContact OE1-NE 3.13Å; E106-R110 PolarHBondContact OE1-NE 2.58Å; E106-R110 IonicContact OE1-NH2 4Å; E106-R110 PolarHBondContact OE1-NH2 2.76Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 3Å; R110-L113 PolarHBondContact O-N 3.41Å; R110-K114 WeakPolarHBondContact O-CG 3.28Å; R110-K114 PolarHBondContact O-N 3.38Å; R110-Q149 PolarHBondContact NH1-O 2.92Å; R110-Q149 PolarHBondContact NH2-O 3.37Å; R110-V151 HydrophobicContact CG-CG2 3.61Å |
| 111 | R | 91.4 | Very high | 89.6 | Confident | 93 Ų | 93 | 42.7 Ų | 42.7 | 35% | 0.351 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 178.1 | -72.3 | 173.8 | 75.3 | -167.6 | 10.4 | 112.3 | L74 P107 L108 A109 K114 L115 E137 | L74-R111 HydrophobicContact CD2-CB 4.01Å; P107-R111 WeakPolarHBondContact O-CG 3.24Å; P107-R111 PolarHBondContact O-N 3Å; P107-R111 VanDerWaalsContact O-N 3.09Å; L108-R111 PolarHBondContact O-N 3.03Å; A109-R111 PolarHBondContact O-N 3.47Å; R111-K114 PolarHBondContact O-N 3.38Å; R111-L115 WeakPolarHBondContact O-CG 3.38Å; R111-L115 PolarHBondContact O-N 3.14Å; R111-E137 IonicContact CZ-OE1 3.2Å; R111-E137 IonicContact NH1-OE1 2.82Å; R111-E137 PolarHBondContact NH1-OE1 3.37Å; R111-E137 IonicContact NH2-OE1 3.24Å |
| 112 | L | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 174.6 | -71.6 | 169.6 | 0 | 0 | 0 | 112 | L74 A77 F98 F100 L108 A109 L115 G116 V117 V119 | L74-L112 HydrophobicContact CD2-CD2 3.94Å; L74-L112 HydrophobicContact CD2-CG 4.24Å; A77-L112 HydrophobicContact CB-CD2 3.65Å; F98-L112 HydrophobicContact CD2-CD1 4.2Å; F98-L112 HydrophobicContact CD2-CD2 4.15Å; F98-L112 HydrophobicContact CE2-CD2 4.26Å; F100-L112 HydrophobicContact CE2-CD1 3.93Å; F100-L112 HydrophobicContact CZ-CD1 3.78Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CD1-CG 4.45Å; L108-L112 HydrophobicContact CG-CD1 4.22Å; L108-L112 WeakPolarHBondContact O-CG 2.96Å; L108-L112 PolarHBondContact O-N 2.63Å; A109-L112 PolarHBondContact O-N 3.22Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-L115 VanDerWaalsContact O-N 3.17Å; L112-G116 PolarHBondContact O-N 3.45Å; L112-V117 CarbonylContact C-O 3.35Å; L112-V117 HydrophobicContact CB-CB 4.39Å; L112-V117 PolarHBondContact O-N 3.11Å; L112-V119 HydrophobicContact CB-CG2 3.67Å; L112-V119 HydrophobicContact CD1-CG2 4.01Å |
| 113 | L | 93.2 | Very high | 89.9 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 175.3 | -71 | 167.5 | 0 | 0 | 0 | 111.7 | A109 R110 L115 G116 V117 V119 V151 | A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.33Å; A109-L113 PolarHBondContact O-N 2.97Å; R110-L113 PolarHBondContact O-N 3.41Å; L113-L115 PolarHBondContact O-N 3.16Å; L113-G116 PolarHBondContact O-N 2.88Å; L113-V117 WeakPolarHBondContact CA-O 3.23Å; L113-V117 PolarHBondContact N-O 3.22Å; L113-V119 HydrophobicContact CD2-CG2 4.45Å; L113-V119 HydrophobicContact CG-CG2 4.21Å; L113-V151 HydrophobicContact CD1-CG1 3.65Å |
| 114 | K | 92.5 | Very high | 89.8 | Confident | 126 Ų | 126 | 45 Ų | 45 | 55% | 0.548 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.1 | -34.8 | 174 | -76.1 | -175.5 | -175.9 | -176.1 | 0 | 112.1 | R110 R111 G116 D141 | R110-K114 WeakPolarHBondContact O-CG 3.28Å; R110-K114 PolarHBondContact O-N 3.38Å; R111-K114 PolarHBondContact O-N 3.38Å; K114-G116 PolarHBondContact O-N 3.31Å; K114-D141 IonicContact NZ-OD2 3.04Å; K114-D141 PolarHBondContact NZ-OD2 3.22Å |
| 115 | L | 93.5 | Very high | 89.1 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.2 | 174.6 | -70.5 | 174.4 | 0 | 0 | 0 | 113.6 | L74 A77 L81 R111 L112 L113 | L74-L115 HydrophobicContact CB-CD1 4.42Å; L74-L115 HydrophobicContact CD2-CD1 3.82Å; A77-L115 HydrophobicContact CB-CD1 4.3Å; L81-L115 HydrophobicContact CD1-CB 4.38Å; L81-L115 WeakPolarHBondContact CD1-O 3.34Å; R111-L115 WeakPolarHBondContact O-CG 3.38Å; R111-L115 PolarHBondContact O-N 3.14Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-L115 VanDerWaalsContact O-N 3.17Å; L113-L115 PolarHBondContact O-N 3.16Å |
| 116 | G | 93.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 54 Ų | 54 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 19.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L112 L113 K114 | L112-G116 PolarHBondContact O-N 3.45Å; L113-G116 PolarHBondContact O-N 2.88Å; K114-G116 PolarHBondContact O-N 3.31Å |
| 117 | V | 95 | Very high | 86.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -96.1 | 128.4 | 168.6 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | A77 L81 I96 F98 L112 L113 | A77-V117 HydrophobicContact CB-CG2 3.75Å; L81-V117 HydrophobicContact CD2-CG2 3.69Å; L81-V117 HydrophobicContact CG-CG2 4.32Å; I96-V117 HydrophobicContact CB-CG2 4.43Å; I96-V117 HydrophobicContact CG2-CG1 4.17Å; I96-V117 HydrophobicContact CG2-CG2 4.18Å; F98-V117 HydrophobicContact CB-CG1 4.04Å; F98-V117 HydrophobicContact CD1-CG1 3.65Å; F98-V117 HydrophobicContact CD2-CG1 4.38Å; F98-V117 HydrophobicContact CE1-CG1 4.21Å; F98-V117 HydrophobicContact CG-CG1 3.76Å; L112-V117 CarbonylContact C-O 3.35Å; L112-V117 HydrophobicContact CB-CB 4.39Å; L112-V117 PolarHBondContact O-N 3.11Å; L113-V117 WeakPolarHBondContact CA-O 3.23Å; L113-V117 PolarHBondContact N-O 3.22Å | ||
| 118 | Q | 95.3 | Very high | 84.2 | Confident | 66 Ų | 66 | 58 Ų | 58 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 142.5 | 173.8 | -59.9 | -57.6 | -48 | 0 | 0 | 109.9 | V95 I96 V97 F98 W154 | V95-Q118 HydrophobicContact CG1-CG 3.69Å; I96-Q118 WeakPolarHBondContact O-CB 3.38Å; I96-Q118 PolarHBondContact O-N 3.18Å; V97-Q118 CarbonylContact C-O 3.51Å; V97-Q118 VanDerWaalsContact CA-O 3.32Å; V97-Q118 WeakPolarHBondContact CA-O 3.3Å; V97-Q118 HydrophobicContact CB-CB 4.48Å; V97-Q118 HydrophobicContact CG2-CB 4.08Å; F98-Q118 PolarHBondContact N-O 2.74Å; Q118-W154 HydrophobicContact CB-CB 3.94Å; Q118-W154 HydrophobicContact CB-CG 3.89Å |
| 119 | V | 93.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.9 | -176 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | F100 A104 A109 L112 L113 A121 L153 W154 | F100-V119 HydrophobicContact CD2-CG1 3.97Å; F100-V119 HydrophobicContact CE2-CG1 3.91Å; A104-V119 HydrophobicContact CB-CG1 4.45Å; A109-V119 HydrophobicContact CB-CG1 4.11Å; L112-V119 HydrophobicContact CB-CG2 3.67Å; L112-V119 HydrophobicContact CD1-CG2 4.01Å; L113-V119 HydrophobicContact CD2-CG2 4.45Å; L113-V119 HydrophobicContact CG-CG2 4.21Å; V119-A121 HydrophobicContact CG1-CB 4.13Å; V119-L153 HydrophobicContact CB-CD2 4.15Å; V119-L153 HydrophobicContact CG1-CD2 3.95Å; V119-L153 CarbonylContact O-C 3.41Å; V119-W154 WeakPolarHBondContact O-CB 3.49Å; V119-W154 PolarHBondContact O-N 3.35Å |
| 120 | Q | 92.2 | Very high | 79.3 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 16% | 0.159 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 110.5 | 172.1 | -174 | 177 | 30.4 | 0 | 0 | 109.1 | V97 F98 R99 F100 W154 | V97-Q120 HydrophobicContact CG1-CB 4.12Å; F98-Q120 PolarHBondContact O-N 3.4Å; R99-Q120 CarbonylContact C-O 3.55Å; R99-Q120 VanDerWaalsContact CA-O 3.3Å; R99-Q120 WeakPolarHBondContact CA-O 3.47Å; R99-Q120 HydrophobicContact CB-CB 4.34Å; R99-Q120 HydrophobicContact CG-CB 4.2Å; R99-Q120 HydrophobicContact CG-CG 4.24Å; F100-Q120 PolarHBondContact N-O 3.04Å; Q120-W154 HydrophobicContact CB-CE3 4.03Å; Q120-W154 HydrophobicContact CG-CE3 4.2Å |
| 121 | A | 88.4 | Confident | 76.8 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | trans | -159.1 | 166.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F100 A104 V119 L153 | F100-A121 HydrophobicContact CB-CB 3.77Å; F100-A121 HydrophobicContact CD2-CB 4.2Å; F100-A121 HydrophobicContact CG-CB 4.25Å; A104-A121 HydrophobicContact CB-CB 3.52Å; V119-A121 HydrophobicContact CG1-CB 4.13Å; A121-L153 WeakPolarHBondContact O-CD1 3.5Å | ||
| 122 | S | 85.5 | Confident | 74.5 | Confident | 89 Ų | 89 | 76.7 Ų | 76.7 | 62% | 0.622 | 40% | 0.399 | S | S | * | . | trans | -88 | 131.2 | 152.2 | -56.8 | 0 | 0 | 0 | 0 | 108.3 | G103 A104 | G103-S122 CarbonylContact C-O 3.44Å; G103-S122 WeakPolarHBondContact CA-O 3.29Å; A104-S122 PolarHBondContact N-O 2.8Å | ||
| 123 | L | 83.6 | Confident | 71.8 | Confident | 72 Ų | 72 | 83.1 Ų | 83.1 | 38% | 0.377 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 137.5 | 174.5 | -67.7 | 179.6 | 0 | 0 | 0 | 110 | A104 E106 A109 V151 L153 | A104-L123 WeakPolarHBondContact O-CA 3.46Å; E106-L123 HydrophobicContact CB-CD2 4.34Å; E106-L123 HydrophobicContact CG-CD1 4.29Å; E106-L123 HydrophobicContact CG-CD2 4.46Å; A109-L123 HydrophobicContact CB-CD2 4.27Å; L123-V151 HydrophobicContact CD1-CB 4.35Å; L123-L153 HydrophobicContact CD1-CD1 4.43Å; L123-L153 HydrophobicContact CD2-CD1 4.21Å; L123-L153 HydrophobicContact CD2-CD2 4.22Å; L123-L153 HydrophobicContact CG-CD1 3.84Å |
| 124 | V | 81.3 | Confident | 69.3 | Low | 72 Ų | 72 | 89.3 Ų | 89.3 | 44% | 0.436 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.7 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | A104 L126 | A104-V124 PolarHBondContact O-N 3.28Å; V124-L126 PolarHBondContact O-N 3.4Å |
| 125 | D | 70.6 | Confident | 66.9 | Low | 142 Ų | 142 | 92.2 Ų | 92.2 | 76% | 0.759 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 123.8 | 171.5 | -70.3 | -30 | 0 | 0 | 0 | 109.5 | ||
| 126 | L | 62.5 | Low | 64.5 | Low | 58 Ų | 58 | 95.7 Ų | 95.7 | 30% | 0.304 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 131.2 | 171.3 | -73.3 | 170.3 | 0 | 0 | 0 | 108.7 | A105 V124 V128 Y132 | A105-L126 HydrophobicContact CB-CD1 3.51Å; A105-L126 HydrophobicContact CB-CD2 4.3Å; A105-L126 HydrophobicContact CB-CG 3.79Å; V124-L126 PolarHBondContact O-N 3.4Å; L126-V128 PolarHBondContact O-N 3.19Å; L126-Y132 HydrophobicContact CD1-CD2 4.31Å; L126-Y132 HydrophobicContact CD1-CE2 3.94Å |
| 127 | P | 48 | Very low | 62 | Low | 82 Ų | 82 | 99.2 Ų | 99.2 | 53% | 0.532 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 132.8 | 164.1 | -17.8 | 27.5 | 0 | 0 | 0 | 108.4 | R129 Y130 | P127-R129 PolarHBondContact O-N 3.25Å; P127-Y130 HydrophobicContact CB-CD2 4.12Å; P127-Y130 HydrophobicContact CB-CE2 4.47Å; P127-Y130 HydrophobicContact CG-CD2 3.94Å; P127-Y130 HydrophobicContact CG-CE2 4.09Å; P127-Y130 PolarHBondContact O-N 3.21Å |
| 128 | V | 47.1 | Very low | 59.1 | Low | 152 Ų | 152 | 108 Ų | 108 | 92% | 0.921 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -13 | -176 | -177.9 | 0 | 0 | 0 | 0 | 114.8 | L126 | L126-V128 PolarHBondContact O-N 3.19Š|
| 129 | R | 36.9 | Very low | 56.5 | Low | 233 Ų | 233 | 115.2 Ų | 115.2 | 88% | 0.879 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -6.5 | 178 | -75.7 | -176 | 172.8 | 179.2 | -2.3 | 116.2 | P127 T131 | P127-R129 PolarHBondContact O-N 3.25Å; R129-T131 PolarHBondContact O-N 3.05Å |
| 130 | Y | 39.1 | Very low | 53.8 | Low | 136 Ų | 136 | 121 Ų | 121 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | trans | -91 | 76.7 | 171.6 | -74.1 | -81.1 | 0 | 0 | 0 | 109.6 | P127 Y132 | P127-Y130 HydrophobicContact CB-CD2 4.12Å; P127-Y130 HydrophobicContact CB-CE2 4.47Å; P127-Y130 HydrophobicContact CG-CD2 3.94Å; P127-Y130 HydrophobicContact CG-CE2 4.09Å; P127-Y130 PolarHBondContact O-N 3.21Å; Y130-Y132 PolarHBondContact O-N 2.81Å | ||
| 131 | T | 37.5 | Very low | 51.4 | Low | 88 Ų | 88 | 124.4 Ų | 124.4 | 54% | 0.54 | 62% | 0.618 | S | S | . | * | trans | -60.7 | 117.5 | 151.5 | 49.4 | 0 | 0 | 0 | 0 | 105.6 | R129 D133 | R129-T131 PolarHBondContact O-N 3.05Å; T131-D133 PolarHBondContact O-N 2.97Å | ||
| 132 | Y | 41.4 | Very low | 49.1 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 39% | 0.392 | 65% | 0.646 | S | S | . | * | trans | -46.5 | 129.6 | 156 | -90.5 | -95.1 | 0 | 0 | 0 | 106.1 | A105 L126 Y130 K134 | A105-Y132 HydrophobicContact CB-CE2 4.4Å; L126-Y132 HydrophobicContact CD1-CD2 4.31Å; L126-Y132 HydrophobicContact CD1-CE2 3.94Å; Y130-Y132 PolarHBondContact O-N 2.81Å; Y132-K134 PolarHBondContact O-N 3.12Å | ||
| 133 | D | 38.4 | Very low | 47.2 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | trans | -43.4 | 117.1 | -172.3 | -72.9 | -47.5 | 0 | 0 | 0 | 108.9 | T131 E135 E136 | T131-D133 PolarHBondContact O-N 2.97Å; D133-E135 PolarHBondContact O-N 2.91Å; D133-E136 PolarHBondContact O-N 3.26Å | ||
| 134 | K | 39.5 | Very low | 45.6 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 1.7 | -175.2 | -81.8 | -177.2 | 170.3 | -176 | 0 | 113.6 | Y132 | Y132-K134 PolarHBondContact O-N 3.12Š|
| 135 | E | 41.7 | Very low | 44 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 88% | 0.879 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -12.7 | -176.1 | -60.7 | -175 | 176.6 | 0 | 0 | 112.7 | D133 | D133-E135 PolarHBondContact O-N 2.91Š|
| 136 | E | 44.3 | Very low | 43 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -102.8 | 5 | 177.2 | -72.9 | -171.3 | 161 | 0 | 0 | 114.9 | N72 D133 | N72-E136 PolarHBondContact ND2-OE1 2.84Å; N72-E136 PolarHBondContact OD1-OE1 2.96Å; N72-E136 PolarHBondContact OD1-OE2 3.45Å; D133-E136 PolarHBondContact O-N 3.26Å |
| 137 | E | 39.3 | Very low | 42.6 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 50% | 0.495 | 69% | 0.688 | S | S | . | * | trans | -131.1 | 79.7 | -176.5 | -72.7 | -179.8 | -163.2 | 0 | 0 | 113.7 | R111 | R111-E137 IonicContact CZ-OE1 3.2Å; R111-E137 IonicContact NH1-OE1 2.82Å; R111-E137 PolarHBondContact NH1-OE1 3.37Å; R111-E137 IonicContact NH2-OE1 3.24Å | ||
| 138 | E | 34.2 | Very low | 43 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | trans | -100.5 | 64.5 | 152 | -162.9 | 177.5 | -159.1 | 0 | 0 | 108.8 | ||||
| 139 | Y | 41.4 | Very low | 43.7 | Very low | 216 Ų | 216 | 142.3 Ų | 142.3 | 85% | 0.847 | 69% | 0.691 | S | S | * | * | trans | -138.7 | 102.5 | 162.5 | -85.7 | -80.7 | 0 | 0 | 0 | 108.1 | D141 | Y139-D141 PolarHBondContact O-N 2.92Š| ||
| 140 | V | 36.1 | Very low | 45.5 | Very low | 123 Ų | 123 | 140 Ų | 140 | 75% | 0.745 | 69% | 0.69 | S | S | * | * | trans | -66.1 | 106.4 | 172.5 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | D142 | V140-D142 WeakPolarHBondContact CG1-OD1 3.38Å; V140-D142 PolarHBondContact O-N 2.83Å | ||
| 141 | D | 42.6 | Very low | 47.3 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 56% | 0.561 | 67% | 0.67 | S | S | * | * | trans | -80.4 | 89.3 | 168.2 | -169.6 | 12.2 | 0 | 0 | 0 | 108.1 | K114 Y139 N143 | K114-D141 IonicContact NZ-OD2 3.04Å; K114-D141 PolarHBondContact NZ-OD2 3.22Å; Y139-D141 PolarHBondContact O-N 2.92Å; D141-N143 PolarHBondContact O-N 3.43Å | ||
| 142 | D | 40.9 | Very low | 49.5 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | trans | -68.5 | 41.1 | 172.9 | -81.1 | -27.5 | 0 | 0 | 0 | 112.8 | V140 | V140-D142 WeakPolarHBondContact CG1-OD1 3.38Å; V140-D142 PolarHBondContact O-N 2.83Å | ||
| 143 | N | 44.9 | Very low | 51.6 | Low | 119 Ų | 119 | 132.4 Ų | 132.4 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -139 | 78 | 173.8 | -98 | -59.5 | 0 | 0 | 0 | 112.1 | D141 G145 | D141-N143 PolarHBondContact O-N 3.43Å; N143-G145 PolarHBondContact O-N 3.49Å | ||
| 144 | E | 49.1 | Very low | 54 | Low | 189 Ų | 189 | 126.7 Ų | 126.7 | 88% | 0.883 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 13.1 | 165.9 | -66.3 | -170.2 | 159 | 0 | 0 | 114.2 | ||
| 145 | G | 47.9 | Very low | 56.2 | Low | 61 Ų | 61 | 121.3 Ų | 121.3 | 63% | 0.629 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -4.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | N143 | N143-G145 PolarHBondContact O-N 3.49Š|
| 146 | L | 49.7 | Very low | 58.2 | Low | 96 Ų | 96 | 113.7 Ų | 113.7 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | trans | -132.5 | 11.4 | -166.9 | -75.8 | 170.4 | 0 | 0 | 0 | 116 | N148 Q149 | L146-N148 PolarHBondContact O-N 3.06Å; L146-N148 VanDerWaalsContact O-N 3.08Å; L146-Q149 PolarHBondContact O-N 3.01Å | ||
| 147 | E | 55.7 | Low | 59.9 | Low | 160 Ų | 160 | 112.5 Ų | 112.5 | 75% | 0.748 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -19.2 | -179 | -69.5 | -169.5 | 151.8 | 0 | 0 | 113.8 | ||
| 148 | N | 54.8 | Low | 61.9 | Low | 165 Ų | 165 | 110.6 Ų | 110.6 | 88% | 0.882 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 5 | -173.8 | -71 | -20.6 | 0 | 0 | 0 | 116.1 | L146 | L146-N148 PolarHBondContact O-N 3.06Å; L146-N148 VanDerWaalsContact O-N 3.08Å |
| 149 | Q | 61.7 | Low | 64.1 | Low | 132 Ų | 132 | 102.9 Ų | 102.9 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -84.7 | 131.5 | 179.3 | -145.6 | 172.6 | 14.9 | 0 | 0 | 110.6 | R110 L146 V151 | R110-Q149 PolarHBondContact NH1-O 2.92Å; R110-Q149 PolarHBondContact NH2-O 3.37Å; L146-Q149 PolarHBondContact O-N 3.01Å; Q149-V151 PolarHBondContact O-N 2.72Å |
| 150 | E | 74.6 | Confident | 65.7 | Low | 184 Ų | 184 | 95.8 Ų | 95.8 | 86% | 0.86 | 52% | 0.516 | S | S | * | . | trans | -61.9 | 133.7 | -178.8 | -168 | 175.6 | -175.1 | 0 | 0 | 111.7 | S152 | E150-S152 PolarHBondContact O-N 3.2Å; E150-S152 VanDerWaalsContact O-N 3.16Å | ||
| 151 | V | 77.9 | Confident | 67.6 | Low | 21 Ų | 21 | 96.1 Ų | 96.1 | 13% | 0.127 | 51% | 0.509 | C | S | . | . | trans | -75.3 | 104.2 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | E106 A109 R110 L113 L123 Q149 L153 | E106-V151 HydrophobicContact CG-CG2 3.71Å; A109-V151 HydrophobicContact CB-CG1 4.5Å; R110-V151 HydrophobicContact CG-CG2 3.61Å; L113-V151 HydrophobicContact CD1-CG1 3.65Å; L123-V151 HydrophobicContact CD1-CB 4.35Å; Q149-V151 PolarHBondContact O-N 2.72Å; V151-L153 HydrophobicContact CG1-CD2 3.93Å; V151-L153 HydrophobicContact CG1-CG 4.26Å; V151-L153 PolarHBondContact O-N 2.65Å | ||
| 152 | S | 82.7 | Confident | 69.2 | Low | 97 Ų | 97 | 97 Ų | 97 | 68% | 0.678 | 51% | 0.508 | S | S | * | . | trans | -78.6 | 101.5 | 171.5 | -171.3 | 0 | 0 | 0 | 0 | 110 | E150 | E150-S152 PolarHBondContact O-N 3.2Å; E150-S152 VanDerWaalsContact O-N 3.16Å | ||
| 153 | L | 86.6 | Confident | 70.6 | Confident | 48 Ų | 48 | 92.1 Ų | 92.1 | 25% | 0.251 | 48% | 0.481 | S | S | . | . | trans | -75.8 | 145.4 | 173.7 | -66.4 | 174.7 | 0 | 0 | 0 | 110.8 | V119 A121 L123 V151 N155 | V119-L153 HydrophobicContact CB-CD2 4.15Å; V119-L153 HydrophobicContact CG1-CD2 3.95Å; V119-L153 CarbonylContact O-C 3.41Å; A121-L153 WeakPolarHBondContact O-CD1 3.5Å; L123-L153 HydrophobicContact CD1-CD1 4.43Å; L123-L153 HydrophobicContact CD2-CD1 4.21Å; L123-L153 HydrophobicContact CD2-CD2 4.22Å; L123-L153 HydrophobicContact CG-CD1 3.84Å; V151-L153 HydrophobicContact CG1-CD2 3.93Å; V151-L153 HydrophobicContact CG1-CG 4.26Å; V151-L153 PolarHBondContact O-N 2.65Å; L153-N155 PolarHBondContact O-N 3.49Å | ||
| 154 | W | 88.2 | Confident | 71.7 | Confident | 14 Ų | 14 | 89 Ų | 89 | 5% | 0.053 | 47% | 0.469 | C | S | . | . | trans | -67.9 | 128.3 | -177.9 | -173.3 | 86.7 | 0 | 0 | 0 | 111 | V33 T62 V97 Q118 V119 Q120 W156 Y159 | V33-W154 HydrophobicContact CG1-CH2 4.42Å; T62-W154 HydrophobicContact CG2-CZ2 4.49Å; V97-W154 HydrophobicContact CG1-CD2 3.91Å; V97-W154 HydrophobicContact CG1-CE3 3.87Å; V97-W154 HydrophobicContact CG1-CG 4.23Å; V97-W154 HydrophobicContact CG1-CZ3 4.28Å; V97-W154 HydrophobicContact CG2-CD2 4.06Å; V97-W154 HydrophobicContact CG2-CG 4.39Å; V97-W154 HydrophobicContact CG2-CH2 4.45Å; V97-W154 HydrophobicContact CG2-CZ2 3.98Å; Q118-W154 HydrophobicContact CB-CB 3.94Å; Q118-W154 HydrophobicContact CB-CG 3.89Å; V119-W154 WeakPolarHBondContact O-CB 3.49Å; V119-W154 PolarHBondContact O-N 3.35Å; Q120-W154 HydrophobicContact CB-CE3 4.03Å; Q120-W154 HydrophobicContact CG-CE3 4.2Å; W154-W156 HydrophobicContact CH2-CB 3.86Å; W154-W156 HydrophobicContact CH2-CD2 4.33Å; W154-W156 AromaticContact CH2-CE3 3.55Å; W154-W156 HydrophobicContact CH2-CE3 3.55Å; W154-W156 HydrophobicContact CH2-CG 4.49Å; W154-W156 HydrophobicContact CH2-CZ3 4.48Å; W154-W156 HydrophobicContact CZ2-CB 4.44Å; W154-W156 AromaticContact CZ2-CE3 3.58Å; W154-W156 HydrophobicContact CZ2-CE3 3.58Å; W154-W156 HydrophobicContact CZ2-CZ3 4.27Å; W154-W156 HydrophobicContact CZ3-CB 4.12Å; W154-Y159 AromaticContact NE1-CD2 3.71Å; W154-Y159 AromaticContact NE1-CG 3.71Å | ||
| 155 | N | 85.7 | Confident | 72.6 | Confident | 62 Ų | 62 | 83 Ų | 83 | 33% | 0.332 | 45% | 0.447 | S | S | . | . | trans | -128.5 | 136.3 | 172 | -175.1 | 34.1 | 0 | 0 | 0 | 110 | L153 E157 S158 Y159 | L153-N155 PolarHBondContact O-N 3.49Å; N155-E157 PolarHBondContact ND2-OE2 3.2Å; N155-E157 PolarHBondContact OD1-OE2 3.19Å; N155-S158 PolarHBondContact ND2-OG 3.41Å; N155-Y159 VanDerWaalsContact O-CB 3.31Å; N155-Y159 WeakPolarHBondContact O-CB 2.97Å; N155-Y159 PolarHBondContact O-N 2.86Å | ||
| 156 | W | 83.2 | Confident | 73.4 | Confident | 29 Ų | 29 | 81.6 Ų | 81.6 | 11% | 0.11 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.2 | -45.5 | -175.4 | 174.2 | -95.6 | 0 | 0 | 0 | 111.8 | P34 N58 W154 S158 Y159 V160 | P34-W156 HydrophobicContact CB-CZ2 4.47Å; P34-W156 VanDerWaalsContact CD-CZ2 3.43Å; P34-W156 VanDerWaalsContact CD-NE1 3.25Å; P34-W156 HydrophobicContact CG-CD2 4.11Å; P34-W156 HydrophobicContact CG-CH2 3.86Å; P34-W156 HydrophobicContact CG-CZ2 3.01Å; P34-W156 VanDerWaalsContact CG-NE1 3.25Å; N58-W156 HydrophobicContact CB-CH2 3.55Å; N58-W156 HydrophobicContact CB-CZ3 3.95Å; W154-W156 HydrophobicContact CH2-CB 3.86Å; W154-W156 HydrophobicContact CH2-CD2 4.33Å; W154-W156 AromaticContact CH2-CE3 3.55Å; W154-W156 HydrophobicContact CH2-CE3 3.55Å; W154-W156 HydrophobicContact CH2-CG 4.49Å; W154-W156 HydrophobicContact CH2-CZ3 4.48Å; W154-W156 HydrophobicContact CZ2-CB 4.44Å; W154-W156 AromaticContact CZ2-CE3 3.58Å; W154-W156 HydrophobicContact CZ2-CE3 3.58Å; W154-W156 HydrophobicContact CZ2-CZ3 4.27Å; W154-W156 HydrophobicContact CZ3-CB 4.12Å; W156-S158 PolarHBondContact O-N 3.18Å; W156-Y159 HydrophobicContact CE3-CD1 4.46Å; W156-Y159 HydrophobicContact CZ3-CD1 4.24Å; W156-Y159 PolarHBondContact O-N 3.17Å; W156-V160 HydrophobicContact CD2-CG2 4.14Å; W156-V160 HydrophobicContact CH2-CG2 4.19Å; W156-V160 HydrophobicContact CZ2-CG2 3.35Å; W156-V160 WeakPolarHBondContact O-CG2 2.89Å; W156-V160 PolarHBondContact O-N 2.84Å |
| 157 | E | 80.6 | Confident | 73.8 | Confident | 109 Ų | 109 | 81.9 Ų | 81.9 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | -178.8 | -61.7 | 79.9 | -158.4 | 0 | 0 | 111.1 | N155 Y159 V160 E161 | N155-E157 PolarHBondContact ND2-OE2 3.2Å; N155-E157 PolarHBondContact OD1-OE2 3.19Å; E157-Y159 VanDerWaalsContact C-N 3.31Å; E157-Y159 PolarHBondContact O-N 2.97Å; E157-V160 PolarHBondContact O-N 3.22Å; E157-E161 PolarHBondContact O-N 3.1Å; E157-E161 VanDerWaalsContact O-N 3.09Å |
| 158 | S | 82.2 | Confident | 73.9 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 177.9 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | N155 W156 F162 | N155-S158 PolarHBondContact ND2-OG 3.41Å; W156-S158 PolarHBondContact O-N 3.18Å; S158-F162 VanDerWaalsContact O-CB 3.27Å; S158-F162 WeakPolarHBondContact O-CB 3.28Å; S158-F162 PolarHBondContact O-N 3.1Å |
| 159 | Y | 79.9 | Confident | 73.8 | Confident | 25 Ų | 25 | 81.5 Ų | 81.5 | 10% | 0.098 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 175.6 | 176.1 | -95.6 | 0 | 0 | 0 | 112.1 | V95 W154 N155 W156 E157 F162 E163 | V95-Y159 HydrophobicContact CG1-CE2 4.34Å; V95-Y159 HydrophobicContact CG2-CE2 3.98Å; V95-Y159 VanDerWaalsContact CG2-OH 3.32Å; V95-Y159 WeakPolarHBondContact CG2-OH 3.35Å; W154-Y159 AromaticContact NE1-CD2 3.71Å; W154-Y159 AromaticContact NE1-CG 3.71Å; N155-Y159 VanDerWaalsContact O-CB 3.31Å; N155-Y159 WeakPolarHBondContact O-CB 2.97Å; N155-Y159 PolarHBondContact O-N 2.86Å; W156-Y159 HydrophobicContact CE3-CD1 4.46Å; W156-Y159 HydrophobicContact CZ3-CD1 4.24Å; W156-Y159 PolarHBondContact O-N 3.17Å; E157-Y159 VanDerWaalsContact C-N 3.31Å; E157-Y159 PolarHBondContact O-N 2.97Å; Y159-F162 PolarHBondContact O-N 3.01Å; Y159-E163 HydrophobicContact CE1-CG 3.88Å; Y159-E163 HydrophobicContact CE2-CG 4.1Å; Y159-E163 PolarHBondContact O-N 2.82Å; Y159-E163 WeakPolarHBondContact OH-CG 3.16Å; Y159-E163 PolarHBondContact OH-OE1 3.46Å; Y159-E163 PolarHBondContact OH-OE2 3.18Å |
| 160 | V | 74 | Confident | 73.4 | Confident | 66 Ų | 66 | 82.9 Ų | 82.9 | 40% | 0.4 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 177.3 | 172 | 0 | 0 | 0 | 0 | 111.2 | W156 E157 F162 E163 S164 | W156-V160 HydrophobicContact CD2-CG2 4.14Å; W156-V160 HydrophobicContact CH2-CG2 4.19Å; W156-V160 HydrophobicContact CZ2-CG2 3.35Å; W156-V160 WeakPolarHBondContact O-CG2 2.89Å; W156-V160 PolarHBondContact O-N 2.84Å; E157-V160 PolarHBondContact O-N 3.22Å; V160-F162 VanDerWaalsContact C-N 3.31Å; V160-F162 PolarHBondContact O-N 3.19Å; V160-E163 PolarHBondContact O-N 2.75Å; V160-S164 WeakPolarHBondContact O-CB 3.44Å; V160-S164 PolarHBondContact O-N 2.75Å; V160-S164 PolarHBondContact O-OG 2.97Å |
| 161 | E | 76.1 | Confident | 72.6 | Confident | 130 Ų | 130 | 76.2 Ų | 76.2 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.3 | -45.2 | 174.9 | -72 | 177.3 | 177.2 | 0 | 0 | 111.1 | E157 S164 S165 | E157-E161 PolarHBondContact O-N 3.1Å; E157-E161 VanDerWaalsContact O-N 3.09Å; E161-S164 PolarHBondContact O-N 3.43Å; E161-S164 PolarHBondContact O-OG 3.12Å; E161-S165 PolarHBondContact O-N 3.31Å; E161-S165 VanDerWaalsContact O-N 3.1Å; E161-S165 PolarHBondContact O-OG 2.85Å |
| 162 | F | 77.2 | Confident | 72.1 | Confident | 124 Ų | 124 | 79.2 Ų | 79.2 | 54% | 0.544 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 177.8 | -179.2 | -113.1 | 0 | 0 | 0 | 113.1 | S158 Y159 V160 S164 S165 I166 | S158-F162 VanDerWaalsContact O-CB 3.27Å; S158-F162 WeakPolarHBondContact O-CB 3.28Å; S158-F162 PolarHBondContact O-N 3.1Å; Y159-F162 PolarHBondContact O-N 3.01Å; V160-F162 VanDerWaalsContact C-N 3.31Å; V160-F162 PolarHBondContact O-N 3.19Å; F162-S164 VanDerWaalsContact C-N 3.34Å; F162-S164 PolarHBondContact O-N 3.46Å; F162-S165 WeakPolarHBondContact O-CB 3.27Å; F162-S165 PolarHBondContact O-N 2.9Å; F162-S165 VanDerWaalsContact O-N 3.1Å; F162-I166 HydrophobicContact CD1-CD1 3.7Å; F162-I166 HydrophobicContact CD1-CG1 4.48Å; F162-I166 HydrophobicContact CD2-CD1 4.35Å; F162-I166 HydrophobicContact CD2-CG1 4.5Å; F162-I166 HydrophobicContact CE1-CD1 3.12Å; F162-I166 HydrophobicContact CE1-CG1 4.19Å; F162-I166 HydrophobicContact CE2-CD1 3.85Å; F162-I166 HydrophobicContact CE2-CG1 4.17Å; F162-I166 HydrophobicContact CG-CD1 4.31Å; F162-I166 HydrophobicContact CZ-CD1 3.23Å; F162-I166 HydrophobicContact CZ-CG1 4.05Å; F162-I166 PolarHBondContact O-N 3.15Å |
| 163 | E | 70.2 | Confident | 71.7 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.5 | -100.4 | -142.3 | 129.5 | 0 | 0 | 111.4 | N58 K92 Y159 V160 S165 I166 E167 | N58-E163 PolarHBondContact ND2-OE2 3.08Å; K92-E163 IonicContact NZ-OE1 2.78Å; Y159-E163 HydrophobicContact CE1-CG 3.88Å; Y159-E163 HydrophobicContact CE2-CG 4.1Å; Y159-E163 PolarHBondContact O-N 2.82Å; Y159-E163 WeakPolarHBondContact OH-CG 3.16Å; Y159-E163 PolarHBondContact OH-OE1 3.46Å; Y159-E163 PolarHBondContact OH-OE2 3.18Å; V160-E163 PolarHBondContact O-N 2.75Å; E163-S165 PolarHBondContact O-N 3.42Å; E163-I166 PolarHBondContact O-N 3.02Å; E163-E167 WeakPolarHBondContact O-CB 3.36Å; E163-E167 WeakPolarHBondContact O-CG 3.33Å; E163-E167 PolarHBondContact O-N 3.02Å |
| 164 | S | 68.3 | Low | 71.4 | Confident | 53 Ų | 53 | 76 Ų | 76 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.9 | -28.5 | 176.5 | 80.7 | 0 | 0 | 0 | 0 | 112.6 | V160 E161 F162 K168 | V160-S164 WeakPolarHBondContact O-CB 3.44Å; V160-S164 PolarHBondContact O-N 2.75Å; V160-S164 PolarHBondContact O-OG 2.97Å; E161-S164 PolarHBondContact O-N 3.43Å; E161-S164 PolarHBondContact O-OG 3.12Å; F162-S164 VanDerWaalsContact C-N 3.34Å; F162-S164 PolarHBondContact O-N 3.46Å; S164-K168 WeakPolarHBondContact O-CG 3.38Å |
| 165 | S | 66.9 | Low | 71.1 | Confident | 62 Ų | 62 | 78.4 Ų | 78.4 | 43% | 0.434 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -79.2 | -45.5 | 176.6 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | E161 F162 E163 E167 K168 E169 | E161-S165 PolarHBondContact O-N 3.31Å; E161-S165 VanDerWaalsContact O-N 3.1Å; E161-S165 PolarHBondContact O-OG 2.85Å; F162-S165 WeakPolarHBondContact O-CB 3.27Å; F162-S165 PolarHBondContact O-N 2.9Å; F162-S165 VanDerWaalsContact O-N 3.1Å; E163-S165 PolarHBondContact O-N 3.42Å; S165-E167 PolarHBondContact O-N 3.3Å; S165-K168 WeakPolarHBondContact O-CB 3.3Å; S165-K168 PolarHBondContact O-N 3.21Å; S165-E169 PolarHBondContact O-N 3.01Å |
| 166 | I | 64.2 | Low | 71.2 | Confident | 32 Ų | 32 | 75.7 Ų | 75.7 | 16% | 0.164 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 175.1 | -77.1 | 179.5 | 0 | 0 | 0 | 111.6 | F162 E163 K168 E169 K170 | F162-I166 HydrophobicContact CD1-CD1 3.7Å; F162-I166 HydrophobicContact CD1-CG1 4.48Å; F162-I166 HydrophobicContact CD2-CD1 4.35Å; F162-I166 HydrophobicContact CD2-CG1 4.5Å; F162-I166 HydrophobicContact CE1-CD1 3.12Å; F162-I166 HydrophobicContact CE1-CG1 4.19Å; F162-I166 HydrophobicContact CE2-CD1 3.85Å; F162-I166 HydrophobicContact CE2-CG1 4.17Å; F162-I166 HydrophobicContact CG-CD1 4.31Å; F162-I166 HydrophobicContact CZ-CD1 3.23Å; F162-I166 HydrophobicContact CZ-CG1 4.05Å; F162-I166 PolarHBondContact O-N 3.15Å; E163-I166 PolarHBondContact O-N 3.02Å; I166-K168 PolarHBondContact O-N 3.11Å; I166-E169 PolarHBondContact O-N 3.08Å; I166-K170 HydrophobicContact CG2-CB 3.96Å; I166-K170 HydrophobicContact CG2-CD 3.83Å; I166-K170 HydrophobicContact CG2-CG 4.01Å; I166-K170 PolarHBondContact O-N 3.08Å |
| 167 | E | 59 | Low | 71.3 | Confident | 102 Ų | 102 | 77.9 Ų | 77.9 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.7 | -28.1 | -179.6 | -76.7 | -165.7 | 153.6 | 0 | 0 | 112.1 | E163 S165 S171 | E163-E167 WeakPolarHBondContact O-CB 3.36Å; E163-E167 WeakPolarHBondContact O-CG 3.33Å; E163-E167 PolarHBondContact O-N 3.02Å; S165-E167 PolarHBondContact O-N 3.3Å; E167-S171 PolarHBondContact O-OG 2.97Å |
| 168 | K | 57.2 | Low | 71.7 | Confident | 165 Ų | 165 | 75.2 Ų | 75.2 | 72% | 0.717 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.6 | -34.3 | 171.6 | -69.4 | 169.5 | -177.3 | 169 | 0 | 112.7 | S164 S165 I166 | S164-K168 WeakPolarHBondContact O-CG 3.38Å; S165-K168 WeakPolarHBondContact O-CB 3.3Å; S165-K168 PolarHBondContact O-N 3.21Å; I166-K168 PolarHBondContact O-N 3.11Å |
| 169 | E | 53.8 | Low | 71.9 | Confident | 152 Ų | 152 | 75.4 Ų | 75.4 | 71% | 0.71 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -96.3 | -40.4 | -176.4 | -82.8 | -172 | 157.4 | 0 | 0 | 115.3 | S165 I166 | S165-E169 PolarHBondContact O-N 3.01Å; I166-E169 PolarHBondContact O-N 3.08Å |
| 170 | K | 53.9 | Low | 72.1 | Confident | 161 Ų | 161 | 76.2 Ų | 76.2 | 70% | 0.7 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -95.1 | -15.9 | -167.4 | -72.4 | -168.9 | -176.6 | 169.7 | 0 | 115.5 | I166 L172 | I166-K170 HydrophobicContact CG2-CB 3.96Å; I166-K170 HydrophobicContact CG2-CD 3.83Å; I166-K170 HydrophobicContact CG2-CG 4.01Å; I166-K170 PolarHBondContact O-N 3.08Å; K170-L172 PolarHBondContact O-N 3.26Å; K170-L172 VanDerWaalsContact O-N 3.09Å |
| 171 | S | 56.2 | Low | 72.9 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 32% | 0.315 | 38% | 0.376 | S | S | . | . | trans | -89 | 49.8 | 178 | 73 | 0 | 0 | 0 | 0 | 112.5 | E167 T173 R229 | E167-S171 PolarHBondContact O-OG 2.97Å; S171-T173 PolarHBondContact O-N 3.4Å; S171-R229 WeakPolarHBondContact O-CD 3.15Å | ||
| 172 | L | 67.2 | Low | 73.5 | Confident | 83 Ų | 83 | 69 Ų | 69 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | trans | -67.8 | -12.6 | 171.8 | -77 | 167.3 | 0 | 0 | 0 | 112 | K170 P228 R229 K230 | K170-L172 PolarHBondContact O-N 3.26Å; K170-L172 VanDerWaalsContact O-N 3.09Å; L172-P228 HydrophobicContact CD2-CB 3.92Å; L172-P228 HydrophobicContact CD2-CG 3.72Å; L172-R229 CarbonylContact O-C 3.57Å; L172-R229 VanDerWaalsContact O-CA 3.23Å; L172-R229 WeakPolarHBondContact O-CA 3.31Å; L172-K230 WeakPolarHBondContact O-CA 3.31Å; L172-K230 WeakPolarHBondContact O-CB 3.35Å; L172-K230 PolarHBondContact O-N 2.85Å | ||
| 173 | T | 75.9 | Confident | 74 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.9 | 179.6 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | S171 K230 I232 | S171-T173 PolarHBondContact O-N 3.4Å; T173-K230 CarbonylContact C-O 3.35Å; T173-K230 VanDerWaalsContact CA-O 3.28Å; T173-K230 WeakPolarHBondContact CA-O 3.49Å; T173-K230 HydrophobicContact CG2-CD 4.4Å; T173-K230 HydrophobicContact CG2-CG 4.4Å; T173-I232 HydrophobicContact CG2-CB 4.38Å; T173-I232 HydrophobicContact CG2-CD1 3.71Å; T173-I232 HydrophobicContact CG2-CG1 3.89Å; T173-I232 HydrophobicContact CG2-CG2 3.66Å |
| 174 | I | 79.1 | Confident | 74.7 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 18% | 0.179 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.9 | 177.6 | -66.4 | 166.9 | 0 | 0 | 0 | 109 | L176 C224 R229 K230 L231 I232 | I174-L176 HydrophobicContact CG2-CD2 3.85Å; I174-L176 HydrophobicContact CG2-CG 4.46Å; I174-C224 HydrophobicContact CD1-CB 3.94Å; I174-C224 WeakPolarHBondContact CD1-O 3.42Å; I174-R229 HydrophobicContact CD1-CB 4.29Å; I174-K230 PolarHBondContact N-O 2.85Å; I174-L231 HydrophobicContact CB-CD2 4.14Å; I174-L231 CarbonylContact O-C 3.56Å; I174-L231 WeakPolarHBondContact O-CA 3.3Å; I174-I232 PolarHBondContact O-N 2.83Å |
| 175 | N | 83.5 | Confident | 75.7 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 35% | 0.353 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121 | 169.3 | 178.7 | 19.4 | 0 | 0 | 0 | 109.7 | I232 Y293 | N175-I232 WeakPolarHBondContact CA-O 3.46Å; N175-I232 HydrophobicContact CB-CD1 4.27Å; N175-I232 HydrophobicContact CB-CG1 3.96Å; N175-Y293 WeakPolarHBondContact ND2-CE2 3.16Å; N175-Y293 WeakPolarHBondContact OD1-CE2 3.28Å; N175-Y293 VanDerWaalsContact OD1-CZ 3.23Å; N175-Y293 PolarHBondContact OD1-OH 3.31Å |
| 176 | L | 86.1 | Confident | 76.8 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -96.6 | 129.7 | 176 | -61.5 | 178.2 | 0 | 0 | 0 | 109.9 | I174 T180 M181 L231 I232 C233 L260 I264 | I174-L176 HydrophobicContact CG2-CD2 3.85Å; I174-L176 HydrophobicContact CG2-CG 4.46Å; L176-T180 HydrophobicContact CD2-CG2 3.74Å; L176-M181 HydrophobicContact CB-CG 4.05Å; L176-M181 HydrophobicContact CD1-CG 4.49Å; L176-L231 HydrophobicContact CD1-CB 4.18Å; L176-L231 HydrophobicContact CD1-CD1 4.2Å; L176-L231 HydrophobicContact CD1-CD2 4.4Å; L176-L231 HydrophobicContact CD1-CG 4.49Å; L176-I232 PolarHBondContact N-O 2.84Å; L176-C233 PolarHBondContact O-SG 2.75Å; L176-L260 HydrophobicContact CD1-CD1 4.3Å; L176-I264 HydrophobicContact CD1-CD1 3.73Å; L176-I264 HydrophobicContact CD1-CG1 4Å |
| 177 | D | 85.9 | Confident | 77.9 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -91 | 171.3 | 170 | 73.3 | 3.4 | 0 | 0 | 0 | 111.7 | S179 T180 M181 | D177-S179 VanDerWaalsContact C-N 3.33Å; D177-S179 PolarHBondContact O-N 2.95Å; D177-S179 PolarHBondContact OD1-N 3.44Å; D177-S179 PolarHBondContact OD1-OG 2.95Å; D177-S179 PolarHBondContact OD2-OG 3.44Å; D177-T180 PolarHBondContact O-N 3.46Å; D177-T180 WeakPolarHBondContact OD1-CB 3.38Å; D177-T180 PolarHBondContact OD1-N 3.09Å; D177-T180 PolarHBondContact OD1-OG1 2.8Å; D177-M181 WeakPolarHBondContact O-CG 3.4Å; D177-M181 PolarHBondContact O-N 3.13Å |
| 178 | L | 89.4 | Confident | 79.3 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.6 | -47.7 | -179.7 | 177.1 | 62.3 | 0 | 0 | 0 | 112.4 | T180 M181 M182 F241 I244 | L178-T180 PolarHBondContact O-N 3.31Å; L178-M181 PolarHBondContact O-N 3.42Å; L178-M182 HydrophobicContact CD1-CG 4.47Å; L178-M182 WeakPolarHBondContact O-CG 3.45Å; L178-M182 PolarHBondContact O-N 3.1Å; L178-F241 HydrophobicContact CD1-CB 3.53Å; L178-F241 HydrophobicContact CD1-CD2 4.15Å; L178-F241 HydrophobicContact CD1-CG 4.35Å; L178-I244 HydrophobicContact CD1-CD1 4.19Å; L178-I244 HydrophobicContact CD2-CD1 4.07Å; L178-I244 HydrophobicContact CG-CD1 4.48Å |
| 179 | S | 85.5 | Confident | 80.5 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 179.9 | 22.9 | 0 | 0 | 0 | 0 | 111.8 | D177 M181 M182 T183 | D177-S179 VanDerWaalsContact C-N 3.33Å; D177-S179 PolarHBondContact O-N 2.95Å; D177-S179 PolarHBondContact OD1-N 3.44Å; D177-S179 PolarHBondContact OD1-OG 2.95Å; D177-S179 PolarHBondContact OD2-OG 3.44Å; S179-M181 VanDerWaalsContact C-N 3.34Å; S179-M181 PolarHBondContact O-N 3.12Å; S179-M182 PolarHBondContact O-N 3.36Å; S179-T183 PolarHBondContact O-N 3.41Å; S179-T183 PolarHBondContact O-OG1 3.18Å |
| 180 | T | 85.4 | Confident | 81.9 | Confident | 43 Ų | 43 | 47 Ų | 47 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 179.5 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | L176 D177 L178 M182 T183 Y184 | L176-T180 HydrophobicContact CD2-CG2 3.74Å; D177-T180 PolarHBondContact O-N 3.46Å; D177-T180 WeakPolarHBondContact OD1-CB 3.38Å; D177-T180 PolarHBondContact OD1-N 3.09Å; D177-T180 PolarHBondContact OD1-OG1 2.8Å; L178-T180 PolarHBondContact O-N 3.31Å; T180-M182 PolarHBondContact O-N 3.47Å; T180-T183 PolarHBondContact O-N 3.22Å; T180-Y184 HydrophobicContact CG2-CD2 4.04Å; T180-Y184 HydrophobicContact CG2-CE2 4.06Å; T180-Y184 WeakPolarHBondContact O-CD2 3.09Å; T180-Y184 PolarHBondContact O-N 2.91Å; T180-Y184 VanDerWaalsContact O-N 3.1Å |
| 181 | M | 89.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 175.4 | -67.5 | -172.2 | -69.3 | 0 | 0 | 111.9 | L176 D177 L178 S179 T183 Y184 V185 C233 A237 F241 L260 I264 | L176-M181 HydrophobicContact CB-CG 4.05Å; L176-M181 HydrophobicContact CD1-CG 4.49Å; D177-M181 WeakPolarHBondContact O-CG 3.4Å; D177-M181 PolarHBondContact O-N 3.13Å; L178-M181 PolarHBondContact O-N 3.42Å; S179-M181 VanDerWaalsContact C-N 3.34Å; S179-M181 PolarHBondContact O-N 3.12Å; M181-T183 PolarHBondContact O-N 2.87Å; M181-Y184 PolarHBondContact O-N 3.49Å; M181-Y184 VanDerWaalsContact O-N 3.16Å; M181-V185 WeakPolarHBondContact O-CG2 2.92Å; M181-V185 PolarHBondContact O-N 2.96Å; M181-C233 WeakPolarHBondContact CE-SG 3.48Å; M181-C233 HydrophobicContact SD-CB 4.34Å; M181-C233 VanDerWaalsContact SD-SG 3.66Å; M181-A237 HydrophobicContact CE-CB 4.27Å; M181-F241 HydrophobicContact CB-CD2 3.69Å; M181-F241 HydrophobicContact CB-CE1 4.4Å; M181-F241 HydrophobicContact CB-CE2 3.58Å; M181-F241 HydrophobicContact CB-CG 4.16Å; M181-F241 HydrophobicContact CB-CZ 3.93Å; M181-F241 HydrophobicContact CE-CB 3.73Å; M181-F241 HydrophobicContact CE-CD1 4.45Å; M181-F241 HydrophobicContact CE-CD2 4.45Å; M181-F241 HydrophobicContact CE-CG 3.99Å; M181-F241 HydrophobicContact SD-CD1 4.18Å; M181-F241 HydrophobicContact SD-CG 4.24Å; M181-L260 HydrophobicContact CB-CD2 4.12Å; M181-L260 HydrophobicContact CG-CD2 4.15Å; M181-I264 HydrophobicContact CG-CD1 4.36Å; M181-I264 HydrophobicContact SD-CD1 3.87Å |
| 182 | M | 90 | Very high | 84.5 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 22% | 0.222 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 176.5 | -74.7 | -56.2 | -57.1 | 0 | 0 | 112.2 | L178 S179 T180 Y184 V185 S186 F241 I244 | L178-M182 HydrophobicContact CD1-CG 4.47Å; L178-M182 WeakPolarHBondContact O-CG 3.45Å; L178-M182 PolarHBondContact O-N 3.1Å; S179-M182 PolarHBondContact O-N 3.36Å; T180-M182 PolarHBondContact O-N 3.47Å; M182-Y184 VanDerWaalsContact C-N 3.27Å; M182-Y184 PolarHBondContact O-N 3.25Å; M182-V185 WeakPolarHBondContact O-CG2 3.4Å; M182-V185 PolarHBondContact O-N 3.17Å; M182-V185 VanDerWaalsContact O-N 3.15Å; M182-S186 VanDerWaalsContact O-CB 3.24Å; M182-S186 WeakPolarHBondContact O-CB 3.5Å; M182-S186 PolarHBondContact O-N 3.45Å; M182-F241 HydrophobicContact CG-CD2 4.12Å; M182-F241 HydrophobicContact CG-CE2 4.29Å; M182-F241 HydrophobicContact SD-CD2 3.61Å; M182-F241 HydrophobicContact SD-CE2 3.62Å; M182-I244 HydrophobicContact CE-CG2 3.74Å; M182-I244 HydrophobicContact SD-CB 4.35Å; M182-I244 HydrophobicContact SD-CG2 3.79Å |
| 183 | T | 86.4 | Confident | 85.5 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.6 | -36.6 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | S179 T180 M181 V185 V214 | S179-T183 PolarHBondContact O-N 3.41Å; S179-T183 PolarHBondContact O-OG1 3.18Å; T180-T183 PolarHBondContact O-N 3.22Å; M181-T183 PolarHBondContact O-N 2.87Å; T183-V185 VanDerWaalsContact C-N 3.27Å; T183-V185 PolarHBondContact O-N 3.09Å; T183-V214 HydrophobicContact CG2-CB 4.26Å; T183-V214 HydrophobicContact CG2-CG1 3.5Å; T183-V214 VanDerWaalsContact CG2-CG1 3.5Å; T183-V214 HydrophobicContact CG2-CG2 4.25Å |
| 184 | Y | 85.3 | Confident | 86.1 | Confident | 25 Ų | 25 | 39.7 Ų | 39.7 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72 | -18.6 | 178.1 | -95.7 | -75.1 | 0 | 0 | 0 | 114.8 | T180 M181 M182 F190 L218 H221 K222 V225 | T180-Y184 HydrophobicContact CG2-CD2 4.04Å; T180-Y184 HydrophobicContact CG2-CE2 4.06Å; T180-Y184 WeakPolarHBondContact O-CD2 3.09Å; T180-Y184 PolarHBondContact O-N 2.91Å; T180-Y184 VanDerWaalsContact O-N 3.1Å; M181-Y184 PolarHBondContact O-N 3.49Å; M181-Y184 VanDerWaalsContact O-N 3.16Å; M182-Y184 VanDerWaalsContact C-N 3.27Å; M182-Y184 PolarHBondContact O-N 3.25Å; Y184-F190 WeakPolarHBondContact O-CE2 3.43Å; Y184-F190 WeakPolarHBondContact O-CZ 3.46Å; Y184-L218 HydrophobicContact CD1-CD2 4.38Å; Y184-L218 HydrophobicContact CE1-CD2 3.69Å; Y184-L218 HydrophobicContact CE2-CD2 4.29Å; Y184-H221 WeakPolarHBondContact OH-CB 3.3Å; Y184-H221 PolarHBondContact OH-O 3.06Å; Y184-K222 PolarHBondContact OH-N 3.02Å; Y184-V225 HydrophobicContact CE1-CB 4.36Å; Y184-V225 HydrophobicContact CE1-CG1 4.43Å; Y184-V225 HydrophobicContact CE1-CG2 4.45Å; Y184-V225 HydrophobicContact CE2-CB 4.45Å; Y184-V225 HydrophobicContact CE2-CG1 4.49Å; Y184-V225 HydrophobicContact CE2-CG2 3.74Å; Y184-V225 WeakPolarHBondContact OH-CB 3.37Å; Y184-V225 WeakPolarHBondContact OH-CG2 3.32Å |
| 185 | V | 89.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -113.8 | -17.9 | -177.5 | -56 | 0 | 0 | 0 | 0 | 113.5 | M181 M182 T183 D187 F241 L245 E253 R256 A257 L260 | M181-V185 WeakPolarHBondContact O-CG2 2.92Å; M181-V185 PolarHBondContact O-N 2.96Å; M182-V185 WeakPolarHBondContact O-CG2 3.4Å; M182-V185 PolarHBondContact O-N 3.17Å; M182-V185 VanDerWaalsContact O-N 3.15Å; T183-V185 VanDerWaalsContact C-N 3.27Å; T183-V185 PolarHBondContact O-N 3.09Å; V185-D187 PolarHBondContact O-N 3.14Å; V185-F241 HydrophobicContact CB-CZ 4.45Å; V185-F241 HydrophobicContact CG1-CZ 3.84Å; V185-F241 HydrophobicContact CG2-CE2 3.71Å; V185-F241 HydrophobicContact CG2-CZ 3.79Å; V185-L245 HydrophobicContact CG2-CD2 4.19Å; V185-E253 WeakPolarHBondContact O-CG 3.5Å; V185-R256 HydrophobicContact CB-CB 4.17Å; V185-R256 HydrophobicContact CG1-CB 4.1Å; V185-R256 VanDerWaalsContact O-CZ 3.26Å; V185-R256 PolarHBondContact O-NE 3.42Å; V185-R256 PolarHBondContact O-NH2 3.42Å; V185-A257 HydrophobicContact CG1-CB 4Å; V185-L260 HydrophobicContact CG1-CD2 4.07Å |
| 186 | S | 89.3 | Confident | 87 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | trans | -65 | 131 | -172.4 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | M182 M188 C189 F190 E253 | M182-S186 VanDerWaalsContact O-CB 3.24Å; M182-S186 WeakPolarHBondContact O-CB 3.5Å; M182-S186 PolarHBondContact O-N 3.45Å; S186-M188 PolarHBondContact O-N 3.16Å; S186-M188 WeakPolarHBondContact OG-CB 3.46Å; S186-M188 PolarHBondContact OG-N 2.91Å; S186-C189 PolarHBondContact O-N 3.07Å; S186-C189 VanDerWaalsContact O-N 3.08Å; S186-F190 WeakPolarHBondContact O-CD2 3.39Å; S186-F190 PolarHBondContact O-N 2.95Å; S186-E253 WeakPolarHBondContact CA-OE1 3.32Å | ||
| 187 | D | 88.7 | Confident | 87.3 | Confident | 56 Ų | 56 | 49 Ų | 49 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -58.8 | -29.8 | 175.3 | -108.6 | 0.6 | 0 | 0 | 0 | 112.3 | V185 C189 F190 G191 G192 E253 R256 | V185-D187 PolarHBondContact O-N 3.14Å; D187-C189 PolarHBondContact O-N 3.24Å; D187-F190 CarbonylContact O-C 3.54Å; D187-F190 PolarHBondContact O-N 3.07Å; D187-G191 PolarHBondContact O-N 3.4Å; D187-G192 VanDerWaalsContact O-CA 3.26Å; D187-G192 WeakPolarHBondContact O-CA 3.27Å; D187-G192 PolarHBondContact O-N 3.29Å; D187-E253 HydrophobicContact CB-CG 4.18Å; D187-E253 PolarHBondContact N-OE1 2.85Å; D187-R256 IonicContact OD1-CZ 3.34Å; D187-R256 IonicContact OD1-NH1 3.14Å; D187-R256 PolarHBondContact OD1-NH1 3.35Å; D187-R256 VanDerWaalsContact OD1-NH1 3.14Å; D187-R256 IonicContact OD1-NH2 2.65Å; D187-R256 PolarHBondContact OD1-NH2 2.77Å |
| 188 | M | 87.4 | Confident | 87.6 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 14% | 0.143 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -53 | -43.3 | 176.1 | -166.1 | 61.5 | 67 | 0 | 0 | 111.1 | S186 F190 S193 Y197 I202 A206 E209 | S186-M188 PolarHBondContact O-N 3.16Å; S186-M188 WeakPolarHBondContact OG-CB 3.46Å; S186-M188 PolarHBondContact OG-N 2.91Å; M188-F190 VanDerWaalsContact C-N 3.35Å; M188-S193 VanDerWaalsContact O-CB 3.3Å; M188-S193 WeakPolarHBondContact O-CB 3.49Å; M188-S193 PolarHBondContact O-N 3.41Å; M188-Y197 HydrophobicContact CE-CE2 4.04Å; M188-I202 HydrophobicContact CE-CG2 3.79Å; M188-A206 HydrophobicContact CE-CB 4.38Å; M188-A206 VanDerWaalsContact SD-CA 3.56Å; M188-A206 HydrophobicContact SD-CB 3.75Å; M188-E209 HydrophobicContact CG-CB 4.18Å; M188-E209 HydrophobicContact CG-CG 4.23Å |
| 189 | C | 82.9 | Confident | 87.8 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -80.9 | -9.6 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 113.7 | S186 D187 L215 | S186-C189 PolarHBondContact O-N 3.07Å; S186-C189 VanDerWaalsContact O-N 3.08Å; D187-C189 PolarHBondContact O-N 3.24Å; C189-L215 WeakPolarHBondContact O-CD1 3.43Å; C189-L215 WeakPolarHBondContact O-CG 2.93Å |
| 190 | F | 82.8 | Confident | 88.1 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 31% | 0.311 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -120.6 | 33.6 | -176.5 | -70.9 | -91.3 | 0 | 0 | 0 | 112.8 | Y184 S186 D187 M188 | Y184-F190 WeakPolarHBondContact O-CE2 3.43Å; Y184-F190 WeakPolarHBondContact O-CZ 3.46Å; S186-F190 WeakPolarHBondContact O-CD2 3.39Å; S186-F190 PolarHBondContact O-N 2.95Å; D187-F190 CarbonylContact O-C 3.54Å; D187-F190 PolarHBondContact O-N 3.07Å; M188-F190 VanDerWaalsContact C-N 3.35Å |
| 191 | G | 79.6 | Confident | 88.5 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.3 | -13.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D187 S193 N194 | D187-G191 PolarHBondContact O-N 3.4Å; G191-S193 PolarHBondContact O-N 3.17Å; G191-N194 WeakPolarHBondContact O-CB 3.29Å; G191-N194 PolarHBondContact O-N 3.34Å; G191-N194 PolarHBondContact O-ND2 3.2Å |
| 192 | G | 85.1 | Confident | 88.5 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -59.4 | -26.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D187 N194 Y195 Y197 | D187-G192 VanDerWaalsContact O-CA 3.26Å; D187-G192 WeakPolarHBondContact O-CA 3.27Å; D187-G192 PolarHBondContact O-N 3.29Å; G192-N194 PolarHBondContact O-N 3.46Å; G192-Y195 WeakPolarHBondContact O-CB 3.47Å; G192-Y195 PolarHBondContact O-N 3.08Å; G192-Y197 PolarHBondContact O-OH 2.91Å |
| 193 | S | 87.7 | Confident | 88.6 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -60.2 | -7.8 | 170.6 | 69.1 | 0 | 0 | 0 | 0 | 114.3 | M188 G191 R210 | M188-S193 VanDerWaalsContact O-CB 3.3Å; M188-S193 WeakPolarHBondContact O-CB 3.49Å; M188-S193 PolarHBondContact O-N 3.41Å; G191-S193 PolarHBondContact O-N 3.17Å; S193-R210 VanDerWaalsContact O-CD 3.27Å; S193-R210 WeakPolarHBondContact O-CD 3.42Å; S193-R210 WeakPolarHBondContact O-CG 3.37Å; S193-R210 PolarHBondContact O-NH1 2.8Å |
| 194 | N | 90 | Very high | 88.9 | Confident | 114 Ų | 114 | 64 Ų | 64 | 61% | 0.61 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -97.2 | -6.5 | 175.2 | -62.2 | -45 | 0 | 0 | 0 | 113.3 | G191 G192 | G191-N194 WeakPolarHBondContact O-CB 3.29Å; G191-N194 PolarHBondContact O-N 3.34Å; G191-N194 PolarHBondContact O-ND2 3.2Å; G192-N194 PolarHBondContact O-N 3.46Å |
| 195 | Y | 90.1 | Very high | 89.1 | Confident | 142 Ų | 142 | 67.1 Ų | 67.1 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -78.9 | 150.5 | 175.3 | -171.6 | -101.2 | 0 | 0 | 0 | 110.8 | G192 Y197 | G192-Y195 WeakPolarHBondContact O-CB 3.47Å; G192-Y195 PolarHBondContact O-N 3.08Å; Y195-Y197 AromaticContact CD1-CD1 3.6Å; Y195-Y197 HydrophobicContact CD1-CD1 3.6Å; Y195-Y197 AromaticContact CD1-CD2 3.92Å; Y195-Y197 HydrophobicContact CD1-CD2 3.92Å; Y195-Y197 AromaticContact CD1-CE1 3.63Å; Y195-Y197 HydrophobicContact CD1-CE1 3.63Å; Y195-Y197 AromaticContact CD1-CE2 3.94Å; Y195-Y197 HydrophobicContact CD1-CE2 3.94Å; Y195-Y197 AromaticContact CD1-CG 3.76Å; Y195-Y197 HydrophobicContact CD1-CG 3.76Å; Y195-Y197 AromaticContact CD1-CZ 3.81Å; Y195-Y197 AromaticContact CE1-CD1 3.95Å; Y195-Y197 HydrophobicContact CE1-CD1 3.95Å; Y195-Y197 HydrophobicContact CE1-CE1 4.28Å; Y195-Y197 HydrophobicContact CE1-CG 4.24Å; Y195-Y197 HydrophobicContact CG-CE2 4.48Å |
| 196 | V | 90.9 | Very high | 89.2 | Confident | 108 Ų | 108 | 67.1 Ų | 67.1 | 66% | 0.655 | 36% | 0.358 | S | S | * | . | trans | -103.7 | 111.2 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 197 | Y | 91.3 | Very high | 89.3 | Confident | 52 Ų | 52 | 69.9 Ų | 69.9 | 20% | 0.204 | 37% | 0.368 | C | S | . | . | trans | -85.1 | 158.1 | -178.4 | -60.4 | -92.4 | 0 | 0 | 0 | 110.9 | M188 G192 Y195 E199 I202 N203 A206 | M188-Y197 HydrophobicContact CE-CE2 4.04Å; G192-Y197 PolarHBondContact O-OH 2.91Å; Y195-Y197 AromaticContact CD1-CD1 3.6Å; Y195-Y197 HydrophobicContact CD1-CD1 3.6Å; Y195-Y197 AromaticContact CD1-CD2 3.92Å; Y195-Y197 HydrophobicContact CD1-CD2 3.92Å; Y195-Y197 AromaticContact CD1-CE1 3.63Å; Y195-Y197 HydrophobicContact CD1-CE1 3.63Å; Y195-Y197 AromaticContact CD1-CE2 3.94Å; Y195-Y197 HydrophobicContact CD1-CE2 3.94Å; Y195-Y197 AromaticContact CD1-CG 3.76Å; Y195-Y197 HydrophobicContact CD1-CG 3.76Å; Y195-Y197 AromaticContact CD1-CZ 3.81Å; Y195-Y197 AromaticContact CE1-CD1 3.95Å; Y195-Y197 HydrophobicContact CE1-CD1 3.95Å; Y195-Y197 HydrophobicContact CE1-CE1 4.28Å; Y195-Y197 HydrophobicContact CE1-CG 4.24Å; Y195-Y197 HydrophobicContact CG-CE2 4.48Å; Y197-E199 VanDerWaalsContact C-N 3.32Å; Y197-I202 HydrophobicContact CD1-CG2 3.72Å; Y197-I202 HydrophobicContact CD2-CB 4.3Å; Y197-I202 HydrophobicContact CD2-CG2 3.49Å; Y197-I202 VanDerWaalsContact CD2-CG2 3.49Å; Y197-I202 HydrophobicContact CE1-CG2 4Å; Y197-I202 HydrophobicContact CE2-CG2 3.79Å; Y197-I202 HydrophobicContact CG-CB 4.03Å; Y197-I202 HydrophobicContact CG-CG2 3.45Å; Y197-I202 VanDerWaalsContact CG-CG2 3.45Å; Y197-N203 PolarHBondContact N-OD1 3.45Å; Y197-N203 PolarHBondContact O-ND2 3.37Å; Y197-A206 HydrophobicContact CE2-CB 4.32Å | ||
| 198 | D | 93 | Very high | 89.4 | Confident | 153 Ų | 153 | 74.3 Ų | 74.3 | 82% | 0.818 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -70.5 | -33.9 | 175.1 | -66.5 | -32.8 | 0 | 0 | 0 | 110.8 | P200 | D198-P200 WeakPolarHBondContact O-CD 3.36Š|
| 199 | E | 93.3 | Very high | 89.3 | Confident | 106 Ų | 106 | 74 Ų | 74 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -80.8 | 124.5 | 179.5 | -67.9 | 73.7 | -161.6 | 0 | 0 | 113 | Y197 L201 I202 N203 | Y197-E199 VanDerWaalsContact C-N 3.32Å; E199-L201 VanDerWaalsContact C-N 3.27Å; E199-L201 PolarHBondContact O-N 2.98Å; E199-I202 HydrophobicContact CB-CB 4.48Å; E199-I202 HydrophobicContact CB-CD1 4.03Å; E199-I202 HydrophobicContact CB-CG1 4.04Å; E199-I202 HydrophobicContact CG-CD1 4.43Å; E199-I202 PolarHBondContact O-N 3.48Å; E199-N203 PolarHBondContact O-N 2.89Å |
| 200 | P | 93.2 | Very high | 89.6 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.7 | -34.5 | 179.5 | -26.3 | 34.2 | 0 | 0 | 0 | 114.4 | D198 N203 M204 | D198-P200 WeakPolarHBondContact O-CD 3.36Å; P200-N203 PolarHBondContact O-N 3Å; P200-M204 PolarHBondContact O-N 2.82Å |
| 201 | L | 92.7 | Very high | 89.8 | Confident | 113 Ų | 113 | 81.9 Ų | 81.9 | 59% | 0.592 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -69.2 | -35.8 | -177.2 | -169.7 | 131.3 | 0 | 0 | 0 | 112 | E199 M204 Q205 | E199-L201 VanDerWaalsContact C-N 3.27Å; E199-L201 PolarHBondContact O-N 2.98Å; L201-M204 PolarHBondContact O-N 2.68Å; L201-Q205 PolarHBondContact O-N 2.65Å |
| 202 | I | 90.3 | Very high | 89.9 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 25% | 0.251 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.9 | -39.8 | 176.9 | -56 | 179 | 0 | 0 | 0 | 109.7 | M188 Y197 E199 M204 Q205 A206 | M188-I202 HydrophobicContact CE-CG2 3.79Å; Y197-I202 HydrophobicContact CD1-CG2 3.72Å; Y197-I202 HydrophobicContact CD2-CB 4.3Å; Y197-I202 HydrophobicContact CD2-CG2 3.49Å; Y197-I202 VanDerWaalsContact CD2-CG2 3.49Å; Y197-I202 HydrophobicContact CE1-CG2 4Å; Y197-I202 HydrophobicContact CE2-CG2 3.79Å; Y197-I202 HydrophobicContact CG-CB 4.03Å; Y197-I202 HydrophobicContact CG-CG2 3.45Å; Y197-I202 VanDerWaalsContact CG-CG2 3.45Å; E199-I202 HydrophobicContact CB-CB 4.48Å; E199-I202 HydrophobicContact CB-CD1 4.03Å; E199-I202 HydrophobicContact CB-CG1 4.04Å; E199-I202 HydrophobicContact CG-CD1 4.43Å; E199-I202 PolarHBondContact O-N 3.48Å; I202-M204 VanDerWaalsContact C-N 3.28Å; I202-M204 PolarHBondContact O-N 3.46Å; I202-Q205 WeakPolarHBondContact O-CB 3.4Å; I202-Q205 PolarHBondContact O-N 3.25Å; I202-Q205 VanDerWaalsContact O-N 3.11Å; I202-A206 PolarHBondContact O-N 3.06Å |
| 203 | N | 92.3 | Very high | 89.5 | Confident | 35 Ų | 35 | 86.5 Ų | 86.5 | 19% | 0.187 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 172.7 | -76.4 | -35.5 | 0 | 0 | 0 | 112.6 | Y197 E199 P200 A206 E207 | Y197-N203 PolarHBondContact N-OD1 3.45Å; Y197-N203 PolarHBondContact O-ND2 3.37Å; E199-N203 PolarHBondContact O-N 2.89Å; P200-N203 PolarHBondContact O-N 3Å; N203-A206 PolarHBondContact O-N 3.32Å; N203-E207 PolarHBondContact O-N 3.02Å |
| 204 | M | 92.4 | Very high | 88.7 | Confident | 82 Ų | 82 | 88.2 Ų | 88.2 | 40% | 0.404 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.4 | -167.6 | 177.8 | 70.5 | 0 | 0 | 112 | P200 L201 I202 E207 W208 | P200-M204 PolarHBondContact O-N 2.82Å; L201-M204 PolarHBondContact O-N 2.68Å; I202-M204 VanDerWaalsContact C-N 3.28Å; I202-M204 PolarHBondContact O-N 3.46Å; M204-E207 WeakPolarHBondContact O-CB 3.45Å; M204-E207 PolarHBondContact O-N 3.16Å; M204-W208 HydrophobicContact CE-CH2 3.61Å; M204-W208 HydrophobicContact CE-CZ2 3.56Å; M204-W208 HydrophobicContact CE-CZ3 4.4Å; M204-W208 HydrophobicContact CG-CZ2 4.09Å; M204-W208 PolarHBondContact O-N 3.24Å; M204-W208 HydrophobicContact SD-CZ2 3.9Å |
| 205 | Q | 89.5 | Confident | 87.5 | Confident | 92 Ų | 92 | 85.9 Ų | 85.9 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 174 | -70.3 | 175.9 | -14.1 | 0 | 0 | 111.9 | L201 I202 E207 W208 E209 | L201-Q205 PolarHBondContact O-N 2.65Å; I202-Q205 WeakPolarHBondContact O-CB 3.4Å; I202-Q205 PolarHBondContact O-N 3.25Å; I202-Q205 VanDerWaalsContact O-N 3.11Å; Q205-E207 VanDerWaalsContact C-N 3.32Å; Q205-E207 PolarHBondContact O-N 3.21Å; Q205-W208 PolarHBondContact O-N 3.41Å; Q205-W208 VanDerWaalsContact O-N 3.16Å; Q205-E209 PolarHBondContact O-N 3.23Å |
| 206 | A | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M188 Y197 I202 N203 W208 E209 R210 | M188-A206 HydrophobicContact CE-CB 4.38Å; M188-A206 VanDerWaalsContact SD-CA 3.56Å; M188-A206 HydrophobicContact SD-CB 3.75Å; Y197-A206 HydrophobicContact CE2-CB 4.32Å; I202-A206 PolarHBondContact O-N 3.06Å; N203-A206 PolarHBondContact O-N 3.32Å; A206-W208 PolarHBondContact O-N 3Å; A206-E209 PolarHBondContact O-N 3.22Å; A206-R210 WeakPolarHBondContact O-CG 3.43Å; A206-R210 PolarHBondContact O-N 3.35Å |
| 207 | E | 91.9 | Very high | 84.5 | Confident | 86 Ų | 86 | 85.8 Ų | 85.8 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 172.4 | -78.5 | -177.6 | -165.1 | 0 | 0 | 113.3 | N203 M204 Q205 R210 K211 | N203-E207 PolarHBondContact O-N 3.02Å; M204-E207 WeakPolarHBondContact O-CB 3.45Å; M204-E207 PolarHBondContact O-N 3.16Å; Q205-E207 VanDerWaalsContact C-N 3.32Å; Q205-E207 PolarHBondContact O-N 3.21Å; E207-R210 PolarHBondContact O-N 3.44Å; E207-K211 WeakPolarHBondContact O-CG 3.37Å; E207-K211 PolarHBondContact O-N 3.19Å |
| 208 | W | 89 | Confident | 82.7 | Confident | 149 Ų | 149 | 83.6 Ų | 83.6 | 56% | 0.564 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 177.5 | -68.8 | -5.5 | 0 | 0 | 0 | 111.7 | M204 Q205 A206 R210 K211 N212 | M204-W208 HydrophobicContact CE-CH2 3.61Å; M204-W208 HydrophobicContact CE-CZ2 3.56Å; M204-W208 HydrophobicContact CE-CZ3 4.4Å; M204-W208 HydrophobicContact CG-CZ2 4.09Å; M204-W208 PolarHBondContact O-N 3.24Å; M204-W208 HydrophobicContact SD-CZ2 3.9Å; Q205-W208 PolarHBondContact O-N 3.41Å; Q205-W208 VanDerWaalsContact O-N 3.16Å; A206-W208 PolarHBondContact O-N 3Å; W208-R210 VanDerWaalsContact C-N 3.31Å; W208-R210 PolarHBondContact O-N 2.89Å; W208-K211 PolarHBondContact O-N 2.93Å; W208-N212 PolarHBondContact O-N 3.4Å |
| 209 | E | 86.7 | Confident | 80.6 | Confident | 22 Ų | 22 | 80.4 Ų | 80.4 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 175.3 | -173.1 | 60.9 | -150 | 0 | 0 | 111.3 | M188 Q205 A206 N212 S213 V214 | M188-E209 HydrophobicContact CG-CB 4.18Å; M188-E209 HydrophobicContact CG-CG 4.23Å; Q205-E209 PolarHBondContact O-N 3.23Å; A206-E209 PolarHBondContact O-N 3.22Å; E209-N212 CarbonylContact O-C 3.53Å; E209-S213 WeakPolarHBondContact O-CA 3.45Å; E209-S213 WeakPolarHBondContact O-CB 3.38Å; E209-S213 PolarHBondContact O-N 3.5Å; E209-S213 VanDerWaalsContact OE1-CA 3.3Å; E209-S213 WeakPolarHBondContact OE1-CA 3.33Å; E209-S213 PolarHBondContact OE1-OG 2.8Å; E209-V214 PolarHBondContact OE1-N 2.84Å |
| 210 | R | 89 | Confident | 78.6 | Confident | 102 Ų | 102 | 82.1 Ų | 82.1 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 173.1 | -72.8 | -175.4 | -61.1 | -114.3 | 7.4 | 112.9 | S193 A206 E207 W208 | S193-R210 VanDerWaalsContact O-CD 3.27Å; S193-R210 WeakPolarHBondContact O-CD 3.42Å; S193-R210 WeakPolarHBondContact O-CG 3.37Å; S193-R210 PolarHBondContact O-NH1 2.8Å; A206-R210 WeakPolarHBondContact O-CG 3.43Å; A206-R210 PolarHBondContact O-N 3.35Å; E207-R210 PolarHBondContact O-N 3.44Å; W208-R210 VanDerWaalsContact C-N 3.31Å; W208-R210 PolarHBondContact O-N 2.89Å |
| 211 | K | 87.3 | Confident | 76.8 | Confident | 144 Ų | 144 | 81.3 Ų | 81.3 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -75.3 | -43 | -179.3 | -75.1 | 174.3 | -178.4 | 168.2 | 0 | 112.5 | E207 W208 | E207-K211 WeakPolarHBondContact O-CG 3.37Å; E207-K211 PolarHBondContact O-N 3.19Å; W208-K211 PolarHBondContact O-N 2.93Å |
| 212 | N | 81.3 | Confident | 75.1 | Confident | 134 Ų | 134 | 80.9 Ų | 80.9 | 72% | 0.717 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -131.7 | 63.3 | -175.9 | -66.3 | -60.2 | 0 | 0 | 0 | 109.4 | W208 E209 V214 | W208-N212 PolarHBondContact O-N 3.4Å; E209-N212 CarbonylContact O-C 3.53Å; N212-V214 PolarHBondContact O-N 3.46Å |
| 213 | S | 76 | Confident | 73.5 | Confident | 13 Ų | 13 | 88.2 Ų | 88.2 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | trans | -61.1 | 132.1 | -175.7 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | E209 L215 F216 | E209-S213 WeakPolarHBondContact O-CA 3.45Å; E209-S213 WeakPolarHBondContact O-CB 3.38Å; E209-S213 PolarHBondContact O-N 3.5Å; E209-S213 VanDerWaalsContact OE1-CA 3.3Å; E209-S213 WeakPolarHBondContact OE1-CA 3.33Å; E209-S213 PolarHBondContact OE1-OG 2.8Å; S213-L215 PolarHBondContact O-N 3.4Å; S213-L215 VanDerWaalsContact O-N 3.17Å; S213-L215 VanDerWaalsContact OG-CB 3.28Å; S213-L215 WeakPolarHBondContact OG-CB 3.27Å; S213-L215 PolarHBondContact OG-N 3.12Å; S213-F216 WeakPolarHBondContact O-CB 3.26Å; S213-F216 PolarHBondContact O-N 2.96Å | ||
| 214 | V | 71.2 | Confident | 71.8 | Confident | 48 Ų | 48 | 87.9 Ų | 87.9 | 29% | 0.291 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.6 | -29.6 | 165.7 | 164.5 | 0 | 0 | 0 | 0 | 109.6 | T183 E209 N212 F216 V217 L218 | T183-V214 HydrophobicContact CG2-CB 4.26Å; T183-V214 HydrophobicContact CG2-CG1 3.5Å; T183-V214 VanDerWaalsContact CG2-CG1 3.5Å; T183-V214 HydrophobicContact CG2-CG2 4.25Å; E209-V214 PolarHBondContact OE1-N 2.84Å; N212-V214 PolarHBondContact O-N 3.46Å; V214-F216 PolarHBondContact O-N 3.02Å; V214-F216 VanDerWaalsContact O-N 3.12Å; V214-V217 CarbonylContact O-C 3.43Å; V214-V217 PolarHBondContact O-N 3.37Å; V214-L218 HydrophobicContact CG1-CD1 3.72Å; V214-L218 HydrophobicContact CG1-CD2 4.24Å; V214-L218 HydrophobicContact CG1-CG 3.65Å; V214-L218 VanDerWaalsContact O-CG 3.3Å; V214-L218 WeakPolarHBondContact O-CG 3.35Å; V214-L218 PolarHBondContact O-N 3.37Å |
| 215 | L | 64.8 | Low | 70.3 | Confident | 65 Ų | 65 | 84.3 Ų | 84.3 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58 | -22.4 | 172.7 | -73.4 | 170.8 | 0 | 0 | 0 | 114.6 | C189 S213 L218 P219 | C189-L215 WeakPolarHBondContact O-CD1 3.43Å; C189-L215 WeakPolarHBondContact O-CG 2.93Å; S213-L215 PolarHBondContact O-N 3.4Å; S213-L215 VanDerWaalsContact O-N 3.17Å; S213-L215 VanDerWaalsContact OG-CB 3.28Å; S213-L215 WeakPolarHBondContact OG-CB 3.27Å; S213-L215 PolarHBondContact OG-N 3.12Å; L215-L218 HydrophobicContact CB-CD1 4.48Å; L215-L218 HydrophobicContact CD2-CB 4.32Å; L215-L218 HydrophobicContact CD2-CD1 3.46Å; L215-L218 VanDerWaalsContact CD2-CD1 3.46Å; L215-L218 HydrophobicContact CD2-CG 4.49Å; L215-L218 HydrophobicContact CG-CD1 4.02Å; L215-P219 WeakPolarHBondContact O-CD 3.43Å |
| 216 | F | 58.7 | Low | 69.2 | Low | 163 Ų | 163 | 82.4 Ų | 82.4 | 72% | 0.715 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -75.9 | -26.8 | 174.6 | -67.7 | -60.3 | 0 | 0 | 0 | 112.8 | S213 V214 P219 | S213-F216 WeakPolarHBondContact O-CB 3.26Å; S213-F216 PolarHBondContact O-N 2.96Å; V214-F216 PolarHBondContact O-N 3.02Å; V214-F216 VanDerWaalsContact O-N 3.12Å; F216-P219 WeakPolarHBondContact O-CD 3.5Å |
| 217 | V | 60.4 | Low | 67.9 | Low | 86 Ų | 86 | 86.4 Ų | 86.4 | 52% | 0.521 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -91.6 | -21.1 | 174.1 | -136.5 | 0 | 0 | 0 | 0 | 111.3 | V214 H220 H221 | V214-V217 CarbonylContact O-C 3.43Å; V214-V217 PolarHBondContact O-N 3.37Å; V217-H220 WeakPolarHBondContact O-CB 3.36Å; V217-H220 PolarHBondContact O-N 2.97Å; V217-H221 PolarHBondContact O-N 3.01Å |
| 218 | L | 52.5 | Low | 66.9 | Low | 5 Ų | 5 | 87.5 Ų | 87.5 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.8 | -20.1 | 177.4 | -76 | 170.5 | 0 | 0 | 0 | 115.6 | Y184 V214 L215 H220 H221 K222 | Y184-L218 HydrophobicContact CD1-CD2 4.38Å; Y184-L218 HydrophobicContact CE1-CD2 3.69Å; Y184-L218 HydrophobicContact CE2-CD2 4.29Å; V214-L218 HydrophobicContact CG1-CD1 3.72Å; V214-L218 HydrophobicContact CG1-CD2 4.24Å; V214-L218 HydrophobicContact CG1-CG 3.65Å; V214-L218 VanDerWaalsContact O-CG 3.3Å; V214-L218 WeakPolarHBondContact O-CG 3.35Å; V214-L218 PolarHBondContact O-N 3.37Å; L215-L218 HydrophobicContact CB-CD1 4.48Å; L215-L218 HydrophobicContact CD2-CB 4.32Å; L215-L218 HydrophobicContact CD2-CD1 3.46Å; L215-L218 VanDerWaalsContact CD2-CD1 3.46Å; L215-L218 HydrophobicContact CD2-CG 4.49Å; L215-L218 HydrophobicContact CG-CD1 4.02Å; L218-H220 VanDerWaalsContact C-N 3.29Å; L218-H220 PolarHBondContact O-N 3.3Å; L218-H221 HydrophobicContact CD2-CB 3.86Å; L218-H221 CarbonylContact O-C 3.6Å; L218-H221 PolarHBondContact O-N 3.4Å; L218-K222 HydrophobicContact CB-CG 4.46Å; L218-K222 WeakPolarHBondContact O-CA 3.47Å; L218-K222 WeakPolarHBondContact O-CB 3.22Å; L218-K222 VanDerWaalsContact O-CG 3.3Å; L218-K222 WeakPolarHBondContact O-CG 3.31Å; L218-K222 PolarHBondContact O-N 2.81Å |
| 219 | P | 49.4 | Very low | 66.1 | Low | 86 Ų | 86 | 83.6 Ų | 83.6 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 169.3 | -29.8 | 29.7 | 0 | 0 | 0 | 111.4 | L215 F216 R223 | L215-P219 WeakPolarHBondContact O-CD 3.43Å; F216-P219 WeakPolarHBondContact O-CD 3.5Å; P219-R223 WeakPolarHBondContact O-CB 3.06Å; P219-R223 PolarHBondContact O-N 2.91Å |
| 220 | H | 50.9 | Low | 65.9 | Low | 143 Ų | 143 | 85.8 Ų | 85.8 | 66% | 0.662 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.7 | -45.2 | 172.3 | -121 | 84.6 | 0 | 0 | 0 | 110.4 | V217 L218 R223 C224 | V217-H220 WeakPolarHBondContact O-CB 3.36Å; V217-H220 PolarHBondContact O-N 2.97Å; L218-H220 VanDerWaalsContact C-N 3.29Å; L218-H220 PolarHBondContact O-N 3.3Å; H220-R223 WeakPolarHBondContact O-CB 3.14Å; H220-R223 PolarHBondContact O-N 2.93Å; H220-C224 PolarHBondContact O-N 3.2Å; H220-C224 PolarHBondContact O-SG 3.46Å |
| 221 | H | 55.1 | Low | 65.8 | Low | 91 Ų | 91 | 81 Ų | 81 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73.4 | -39 | -178 | -96.6 | -85.4 | 0 | 0 | 0 | 114.3 | Y184 V217 L218 R223 C224 V225 | Y184-H221 WeakPolarHBondContact OH-CB 3.3Å; Y184-H221 PolarHBondContact OH-O 3.06Å; V217-H221 PolarHBondContact O-N 3.01Å; L218-H221 HydrophobicContact CD2-CB 3.86Å; L218-H221 CarbonylContact O-C 3.6Å; L218-H221 PolarHBondContact O-N 3.4Å; H221-R223 VanDerWaalsContact C-N 3.28Å; H221-R223 PolarHBondContact O-N 2.79Å; H221-C224 CarbonylContact O-C 3.53Å; H221-C224 WeakPolarHBondContact O-CA 3.49Å; H221-C224 VanDerWaalsContact O-CB 3.28Å; H221-C224 WeakPolarHBondContact O-CB 3.41Å; H221-C224 PolarHBondContact O-N 3.09Å; H221-V225 WeakPolarHBondContact O-CB 3.24Å; H221-V225 VanDerWaalsContact O-CG2 3.29Å; H221-V225 WeakPolarHBondContact O-CG2 3.4Å; H221-V225 PolarHBondContact O-N 3.42Å |
| 222 | K | 56.1 | Low | 65.9 | Low | 104 Ų | 104 | 75 Ų | 75 | 45% | 0.452 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 170.8 | -81.1 | -174.7 | 176.8 | -179.1 | 0 | 109 | Y184 L218 C224 V225 S226 | Y184-K222 PolarHBondContact OH-N 3.02Å; L218-K222 HydrophobicContact CB-CG 4.46Å; L218-K222 WeakPolarHBondContact O-CA 3.47Å; L218-K222 WeakPolarHBondContact O-CB 3.22Å; L218-K222 VanDerWaalsContact O-CG 3.3Å; L218-K222 WeakPolarHBondContact O-CG 3.31Å; L218-K222 PolarHBondContact O-N 2.81Å; K222-C224 VanDerWaalsContact C-N 3.32Å; K222-C224 PolarHBondContact O-N 2.75Å; K222-V225 CarbonylContact O-C 3.39Å; K222-V225 PolarHBondContact O-N 3.3Å; K222-S226 WeakPolarHBondContact O-CA 3.41Å; K222-S226 WeakPolarHBondContact O-CB 3.41Å; K222-S226 PolarHBondContact O-N 2.91Å; K222-S226 PolarHBondContact O-OG 2.95Å |
| 223 | R | 57.7 | Low | 66.3 | Low | 202 Ų | 202 | 68.6 Ų | 68.6 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 172 | -163.7 | 179.4 | -169.2 | 179.6 | 4.1 | 111.4 | P219 H220 H221 V225 S226 | P219-R223 WeakPolarHBondContact O-CB 3.06Å; P219-R223 PolarHBondContact O-N 2.91Å; H220-R223 WeakPolarHBondContact O-CB 3.14Å; H220-R223 PolarHBondContact O-N 2.93Å; H221-R223 VanDerWaalsContact C-N 3.28Å; H221-R223 PolarHBondContact O-N 2.79Å; R223-V225 VanDerWaalsContact C-N 3.34Å; R223-S226 PolarHBondContact O-N 2.98Å |
| 224 | C | 55.5 | Low | 67 | Low | 28 Ų | 28 | 68.2 Ų | 68.2 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 173.9 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | I174 H220 H221 K222 S226 R229 | I174-C224 HydrophobicContact CD1-CB 3.94Å; I174-C224 WeakPolarHBondContact CD1-O 3.42Å; H220-C224 PolarHBondContact O-N 3.2Å; H220-C224 PolarHBondContact O-SG 3.46Å; H221-C224 CarbonylContact O-C 3.53Å; H221-C224 WeakPolarHBondContact O-CA 3.49Å; H221-C224 VanDerWaalsContact O-CB 3.28Å; H221-C224 WeakPolarHBondContact O-CB 3.41Å; H221-C224 PolarHBondContact O-N 3.09Å; K222-C224 VanDerWaalsContact C-N 3.32Å; K222-C224 PolarHBondContact O-N 2.75Å; C224-S226 VanDerWaalsContact C-N 3.34Å; C224-R229 WeakPolarHBondContact O-CB 3.45Å; C224-R229 VanDerWaalsContact O-CD 3.23Å; C224-R229 WeakPolarHBondContact O-CD 3.46Å |
| 225 | V | 63 | Low | 67.9 | Low | 8 Ų | 8 | 69.7 Ų | 69.7 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -91.3 | -4.5 | -176.4 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | Y184 H221 K222 R223 L231 L260 R263 | Y184-V225 HydrophobicContact CE1-CB 4.36Å; Y184-V225 HydrophobicContact CE1-CG1 4.43Å; Y184-V225 HydrophobicContact CE1-CG2 4.45Å; Y184-V225 HydrophobicContact CE2-CB 4.45Å; Y184-V225 HydrophobicContact CE2-CG1 4.49Å; Y184-V225 HydrophobicContact CE2-CG2 3.74Å; Y184-V225 WeakPolarHBondContact OH-CB 3.37Å; Y184-V225 WeakPolarHBondContact OH-CG2 3.32Å; H221-V225 WeakPolarHBondContact O-CB 3.24Å; H221-V225 VanDerWaalsContact O-CG2 3.29Å; H221-V225 WeakPolarHBondContact O-CG2 3.4Å; H221-V225 PolarHBondContact O-N 3.42Å; K222-V225 CarbonylContact O-C 3.39Å; K222-V225 PolarHBondContact O-N 3.3Å; R223-V225 VanDerWaalsContact C-N 3.34Å; V225-L231 HydrophobicContact CB-CD2 4.37Å; V225-L231 HydrophobicContact CG1-CD1 3.5Å; V225-L231 HydrophobicContact CG1-CD2 3.88Å; V225-L231 HydrophobicContact CG1-CG 4.33Å; V225-L231 HydrophobicContact CG2-CD2 4.48Å; V225-L260 HydrophobicContact CG1-CD1 4.36Å; V225-R263 PolarHBondContact O-NH1 3.37Å; V225-R263 PolarHBondContact O-NH2 2.92Å |
| 226 | S | 65.2 | Low | 69 | Low | 52 Ų | 52 | 68.9 Ų | 68.9 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -86.2 | 159.9 | 175.1 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | K222 R223 C224 R229 | K222-S226 WeakPolarHBondContact O-CA 3.41Å; K222-S226 WeakPolarHBondContact O-CB 3.41Å; K222-S226 PolarHBondContact O-N 2.91Å; K222-S226 PolarHBondContact O-OG 2.95Å; R223-S226 PolarHBondContact O-N 2.98Å; C224-S226 VanDerWaalsContact C-N 3.34Å; S226-R229 PolarHBondContact O-N 3.32Å; S226-R229 VanDerWaalsContact O-N 3.13Å |
| 227 | A | 65 | Low | 70.5 | Confident | 83 Ų | 83 | 61.8 Ų | 61.8 | 69% | 0.686 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 144.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 228 | P | 69 | Low | 72.1 | Confident | 109 Ų | 109 | 58.3 Ų | 58.3 | 71% | 0.708 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.3 | 7.7 | 11.8 | 35.3 | -36.7 | 0 | 0 | 0 | 115.1 | L172 K230 | L172-P228 HydrophobicContact CD2-CB 3.92Å; L172-P228 HydrophobicContact CD2-CG 3.72Å; P228-K230 PolarHBondContact O-N 3.49Å |
| 229 | R | 74.1 | Confident | 74 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 25% | 0.253 | 33% | 0.326 | S | S | . | . | trans | -73.9 | 123.7 | -175.5 | -56.6 | -160.3 | -176.7 | 178.5 | -1.8 | 111.7 | S171 L172 I174 C224 S226 | S171-R229 WeakPolarHBondContact O-CD 3.15Å; L172-R229 CarbonylContact O-C 3.57Å; L172-R229 VanDerWaalsContact O-CA 3.23Å; L172-R229 WeakPolarHBondContact O-CA 3.31Å; I174-R229 HydrophobicContact CD1-CB 4.29Å; C224-R229 WeakPolarHBondContact O-CB 3.45Å; C224-R229 VanDerWaalsContact O-CD 3.23Å; C224-R229 WeakPolarHBondContact O-CD 3.46Å; S226-R229 PolarHBondContact O-N 3.32Å; S226-R229 VanDerWaalsContact O-N 3.13Å | ||
| 230 | K | 81.8 | Confident | 76.1 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 30% | 0.3 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 135.4 | 166.7 | -177.1 | 178.7 | 178.5 | 175.6 | 0 | 110 | L172 T173 I174 P228 I232 E265 | L172-K230 WeakPolarHBondContact O-CA 3.31Å; L172-K230 WeakPolarHBondContact O-CB 3.35Å; L172-K230 PolarHBondContact O-N 2.85Å; T173-K230 CarbonylContact C-O 3.35Å; T173-K230 VanDerWaalsContact CA-O 3.28Å; T173-K230 WeakPolarHBondContact CA-O 3.49Å; T173-K230 HydrophobicContact CG2-CD 4.4Å; T173-K230 HydrophobicContact CG2-CG 4.4Å; I174-K230 PolarHBondContact N-O 2.85Å; P228-K230 PolarHBondContact O-N 3.49Å; K230-I232 HydrophobicContact CG-CG2 4.47Å; K230-E265 WeakPolarHBondContact CE-OE1 3.46Å; K230-E265 WeakPolarHBondContact CE-OE2 3.19Å; K230-E265 IonicContact NZ-OE1 2.84Å; K230-E265 PolarHBondContact NZ-OE1 3.08Å; K230-E265 IonicContact NZ-OE2 3.49Å; K230-E265 PolarHBondContact NZ-OE2 3.21Å |
| 231 | L | 87.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.9 | 176.7 | -51.7 | 174 | 0 | 0 | 0 | 108.1 | I174 L176 V225 L260 R263 I264 E265 | I174-L231 HydrophobicContact CB-CD2 4.14Å; I174-L231 CarbonylContact O-C 3.56Å; I174-L231 WeakPolarHBondContact O-CA 3.3Å; L176-L231 HydrophobicContact CD1-CB 4.18Å; L176-L231 HydrophobicContact CD1-CD1 4.2Å; L176-L231 HydrophobicContact CD1-CD2 4.4Å; L176-L231 HydrophobicContact CD1-CG 4.49Å; V225-L231 HydrophobicContact CB-CD2 4.37Å; V225-L231 HydrophobicContact CG1-CD1 3.5Å; V225-L231 HydrophobicContact CG1-CD2 3.88Å; V225-L231 HydrophobicContact CG1-CG 4.33Å; V225-L231 HydrophobicContact CG2-CD2 4.48Å; L231-L260 HydrophobicContact CD1-CD1 4.46Å; L231-R263 HydrophobicContact CD1-CB 4.07Å; L231-I264 HydrophobicContact CB-CG1 3.94Å; L231-I264 HydrophobicContact CD1-CG1 4.36Å; L231-E265 PolarHBondContact O-N 3.1Å |
| 232 | I | 89.5 | Confident | 80 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.5 | 173.5 | 63.6 | 178 | 0 | 0 | 0 | 109.9 | T173 I174 N175 L176 K230 E265 V267 Y293 | T173-I232 HydrophobicContact CG2-CB 4.38Å; T173-I232 HydrophobicContact CG2-CD1 3.71Å; T173-I232 HydrophobicContact CG2-CG1 3.89Å; T173-I232 HydrophobicContact CG2-CG2 3.66Å; I174-I232 PolarHBondContact O-N 2.83Å; N175-I232 WeakPolarHBondContact CA-O 3.46Å; N175-I232 HydrophobicContact CB-CD1 4.27Å; N175-I232 HydrophobicContact CB-CG1 3.96Å; L176-I232 PolarHBondContact N-O 2.84Å; K230-I232 HydrophobicContact CG-CG2 4.47Å; I232-E265 VanDerWaalsContact CA-O 3.26Å; I232-E265 WeakPolarHBondContact CA-O 3.32Å; I232-E265 HydrophobicContact CG2-CB 4.24Å; I232-V267 HydrophobicContact CB-CG2 4.28Å; I232-V267 HydrophobicContact CG2-CG2 4.34Å; I232-Y293 HydrophobicContact CB-CD1 4.24Å; I232-Y293 HydrophobicContact CB-CE1 4.01Å; I232-Y293 HydrophobicContact CD1-CD1 3.66Å; I232-Y293 HydrophobicContact CD1-CE1 4.07Å; I232-Y293 HydrophobicContact CD1-CG 3.94Å; I232-Y293 HydrophobicContact CG1-CD1 4.11Å; I232-Y293 HydrophobicContact CG1-CE1 4.01Å |
| 233 | C | 89.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 152.8 | 172.9 | -162.9 | 0 | 0 | 0 | 0 | 109.7 | L176 M181 A237 V238 I264 E265 V266 V267 Y293 | L176-C233 PolarHBondContact O-SG 2.75Å; M181-C233 WeakPolarHBondContact CE-SG 3.48Å; M181-C233 HydrophobicContact SD-CB 4.34Å; M181-C233 VanDerWaalsContact SD-SG 3.66Å; C233-A237 VanDerWaalsContact SG-CB 3.57Å; C233-V238 HydrophobicContact CB-CG2 3.7Å; C233-I264 HydrophobicContact CB-CG2 3.36Å; C233-E265 PolarHBondContact N-O 3.01Å; C233-E265 VanDerWaalsContact N-O 3.09Å; C233-V266 CarbonylContact O-C 3.22Å; C233-V266 VanDerWaalsContact O-CA 3.26Å; C233-V266 WeakPolarHBondContact O-CA 3.26Å; C233-V267 PolarHBondContact O-N 3.47Å; C233-Y293 VanDerWaalsContact C-CE1 3.4Å; C233-Y293 VanDerWaalsContact C-CZ 3.49Å; C233-Y293 WeakPolarHBondContact CA-OH 3.36Å; C233-Y293 WeakPolarHBondContact O-CE1 3.45Å |
| 234 | C | 89.3 | Confident | 83.6 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 150.9 | -171.8 | 73.6 | 0 | 0 | 0 | 0 | 107.2 | T236 A237 V238 V267 D269 Y293 | C234-T236 VanDerWaalsContact C-N 3.26Å; C234-T236 PolarHBondContact O-N 3.32Å; C234-A237 PolarHBondContact O-N 2.87Å; C234-A237 VanDerWaalsContact SG-CB 3.55Å; C234-V238 WeakPolarHBondContact O-CG2 3.46Å; C234-V238 PolarHBondContact O-N 2.93Å; C234-V267 WeakPolarHBondContact CA-O 3.38Å; C234-D269 VanDerWaalsContact CB-OD1 3.28Å; C234-D269 WeakPolarHBondContact CB-OD1 3.47Å; C234-D269 PolarHBondContact SG-OD1 2.91Å; C234-Y293 WeakPolarHBondContact CA-OH 3.33Å; C234-Y293 HydrophobicContact CB-CE1 4.02Å; C234-Y293 HydrophobicContact CB-CE2 3.97Å; C234-Y293 VanDerWaalsContact CB-CZ 3.48Å; C234-Y293 WeakPolarHBondContact CB-OH 3.32Å; C234-Y293 VanDerWaalsContact N-CZ 3.32Å; C234-Y293 PolarHBondContact N-OH 2.87Å |
| 235 | Q | 90.3 | Very high | 85.4 | Confident | 79 Ų | 79 | 47.5 Ų | 47.5 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -53.6 | -46.2 | -173.9 | -168.7 | 62.5 | 58.1 | 0 | 0 | 111.7 | A237 V238 D239 V266 V267 | Q235-A237 VanDerWaalsContact C-N 3.3Å; Q235-A237 PolarHBondContact O-N 3.28Å; Q235-V238 PolarHBondContact O-N 3.17Å; Q235-D239 PolarHBondContact NE2-OD1 3.35Å; Q235-D239 WeakPolarHBondContact O-CB 3.29Å; Q235-D239 PolarHBondContact O-N 3.48Å; Q235-V266 HydrophobicContact CB-CG1 4.29Å; Q235-V267 PolarHBondContact N-O 2.71Å; Q235-V267 VanDerWaalsContact N-O 3.11Å |
| 236 | T | 88.5 | Confident | 86.8 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 177.5 | -67.2 | 0 | 0 | 0 | 0 | 113 | C234 S240 D269 | C234-T236 VanDerWaalsContact C-N 3.26Å; C234-T236 PolarHBondContact O-N 3.32Å; T236-S240 WeakPolarHBondContact O-CB 3.39Å; T236-S240 PolarHBondContact O-N 3.35Å; T236-S240 PolarHBondContact O-OG 2.81Å; T236-D269 VanDerWaalsContact CB-OD2 3.24Å; T236-D269 WeakPolarHBondContact CB-OD2 3.46Å; T236-D269 PolarHBondContact N-OD2 3.47Å; T236-D269 VanDerWaalsContact OG1-CG 3.25Å; T236-D269 PolarHBondContact OG1-OD2 3.26Å |
| 237 | A | 89.7 | Confident | 88.1 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 12% | 0.116 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M181 C233 C234 Q235 S240 F241 | M181-A237 HydrophobicContact CE-CB 4.27Å; C233-A237 VanDerWaalsContact SG-CB 3.57Å; C234-A237 PolarHBondContact O-N 2.87Å; C234-A237 VanDerWaalsContact SG-CB 3.55Å; Q235-A237 VanDerWaalsContact C-N 3.3Å; Q235-A237 PolarHBondContact O-N 3.28Å; A237-S240 PolarHBondContact O-N 3.28Å; A237-F241 VanDerWaalsContact O-CB 3.25Å; A237-F241 WeakPolarHBondContact O-CB 3.42Å; A237-F241 PolarHBondContact O-N 2.59Å |
| 238 | V | 93.1 | Very high | 89.4 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 174.9 | 175.4 | 0 | 0 | 0 | 0 | 111 | C233 C234 Q235 S240 F241 M242 L261 V266 | C233-V238 HydrophobicContact CB-CG2 3.7Å; C234-V238 WeakPolarHBondContact O-CG2 3.46Å; C234-V238 PolarHBondContact O-N 2.93Å; Q235-V238 PolarHBondContact O-N 3.17Å; V238-S240 PolarHBondContact O-N 2.98Å; V238-F241 WeakPolarHBondContact O-CB 3.49Å; V238-F241 PolarHBondContact O-N 3.39Å; V238-M242 HydrophobicContact CG1-CG 4.34Å; V238-M242 WeakPolarHBondContact O-CB 3.36Å; V238-M242 WeakPolarHBondContact O-CG 3.44Å; V238-M242 PolarHBondContact O-N 3.28Å; V238-L261 HydrophobicContact CG1-CD2 4.12Å; V238-V266 HydrophobicContact CG2-CG1 4.04Å; V238-V266 HydrophobicContact CG2-CG2 3.99Å |
| 239 | D | 93.2 | Very high | 90.3 | Very high | 86 Ų | 86 | 55 Ų | 55 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 179 | -67.8 | -15 | 0 | 0 | 0 | 111.3 | Q235 F241 M242 K243 | Q235-D239 PolarHBondContact NE2-OD1 3.35Å; Q235-D239 WeakPolarHBondContact O-CB 3.29Å; Q235-D239 PolarHBondContact O-N 3.48Å; D239-F241 VanDerWaalsContact C-N 3.32Å; D239-F241 PolarHBondContact O-N 2.84Å; D239-M242 PolarHBondContact O-N 2.8Å; D239-K243 WeakPolarHBondContact O-CB 3.32Å; D239-K243 PolarHBondContact O-N 3.07Å |
| 240 | S | 92.9 | Very high | 91.1 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | T236 A237 V238 K243 I244 | T236-S240 WeakPolarHBondContact O-CB 3.39Å; T236-S240 PolarHBondContact O-N 3.35Å; T236-S240 PolarHBondContact O-OG 2.81Å; A237-S240 PolarHBondContact O-N 3.28Å; V238-S240 PolarHBondContact O-N 2.98Å; S240-K243 PolarHBondContact O-N 2.9Å; S240-I244 WeakPolarHBondContact O-CG1 3.14Å; S240-I244 PolarHBondContact O-N 2.99Å; S240-I244 VanDerWaalsContact O-N 3.09Å |
| 241 | F | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -48.9 | 177.6 | 176.8 | -114.3 | 0 | 0 | 0 | 111.9 | L178 M181 M182 V185 A237 V238 D239 K243 I244 L245 A257 L261 | L178-F241 HydrophobicContact CD1-CB 3.53Å; L178-F241 HydrophobicContact CD1-CD2 4.15Å; L178-F241 HydrophobicContact CD1-CG 4.35Å; M181-F241 HydrophobicContact CB-CD2 3.69Å; M181-F241 HydrophobicContact CB-CE1 4.4Å; M181-F241 HydrophobicContact CB-CE2 3.58Å; M181-F241 HydrophobicContact CB-CG 4.16Å; M181-F241 HydrophobicContact CB-CZ 3.93Å; M181-F241 HydrophobicContact CE-CB 3.73Å; M181-F241 HydrophobicContact CE-CD1 4.45Å; M181-F241 HydrophobicContact CE-CD2 4.45Å; M181-F241 HydrophobicContact CE-CG 3.99Å; M181-F241 HydrophobicContact SD-CD1 4.18Å; M181-F241 HydrophobicContact SD-CG 4.24Å; M182-F241 HydrophobicContact CG-CD2 4.12Å; M182-F241 HydrophobicContact CG-CE2 4.29Å; M182-F241 HydrophobicContact SD-CD2 3.61Å; M182-F241 HydrophobicContact SD-CE2 3.62Å; V185-F241 HydrophobicContact CB-CZ 4.45Å; V185-F241 HydrophobicContact CG1-CZ 3.84Å; V185-F241 HydrophobicContact CG2-CE2 3.71Å; V185-F241 HydrophobicContact CG2-CZ 3.79Å; A237-F241 VanDerWaalsContact O-CB 3.25Å; A237-F241 WeakPolarHBondContact O-CB 3.42Å; A237-F241 PolarHBondContact O-N 2.59Å; V238-F241 WeakPolarHBondContact O-CB 3.49Å; V238-F241 PolarHBondContact O-N 3.39Å; D239-F241 VanDerWaalsContact C-N 3.32Å; D239-F241 PolarHBondContact O-N 2.84Å; F241-K243 VanDerWaalsContact C-N 3.29Å; F241-K243 PolarHBondContact O-N 2.87Å; F241-I244 PolarHBondContact O-N 3.19Å; F241-L245 HydrophobicContact CD1-CD1 3.83Å; F241-L245 HydrophobicContact CD2-CD1 4.32Å; F241-L245 HydrophobicContact CE1-CD1 3.37Å; F241-L245 HydrophobicContact CE2-CD1 3.9Å; F241-L245 HydrophobicContact CE2-CG 4.31Å; F241-L245 HydrophobicContact CG-CD1 4.29Å; F241-L245 HydrophobicContact CZ-CD1 3.42Å; F241-L245 VanDerWaalsContact CZ-CD1 3.42Å; F241-L245 HydrophobicContact CZ-CG 4.27Å; F241-L245 PolarHBondContact O-N 3.29Å; F241-A257 HydrophobicContact CE1-CB 4.03Å; F241-A257 HydrophobicContact CZ-CB 4.02Å; F241-L261 HydrophobicContact CD1-CD1 4.35Å; F241-L261 HydrophobicContact CD1-CD2 4.25Å; F241-L261 HydrophobicContact CE1-CD1 4.08Å; F241-L261 HydrophobicContact CE1-CD2 4.28Å; F241-L261 HydrophobicContact CE1-CG 4.16Å |
| 242 | M | 95 | Very high | 91.8 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 177.6 | -71.9 | -59.5 | -68.9 | 0 | 0 | 112.2 | V238 D239 L245 K246 L261 | V238-M242 HydrophobicContact CG1-CG 4.34Å; V238-M242 WeakPolarHBondContact O-CB 3.36Å; V238-M242 WeakPolarHBondContact O-CG 3.44Å; V238-M242 PolarHBondContact O-N 3.28Å; D239-M242 PolarHBondContact O-N 2.8Å; M242-L245 PolarHBondContact O-N 2.82Å; M242-L245 HydrophobicContact SD-CD1 4.33Å; M242-K246 WeakPolarHBondContact O-CB 3.43Å; M242-K246 PolarHBondContact O-N 2.88Å; M242-L261 HydrophobicContact CG-CD1 4.42Å; M242-L261 HydrophobicContact SD-CD1 3.38Å; M242-L261 WeakPolarHBondContact SD-CD1 3.3Å |
| 243 | K | 94.7 | Very high | 92 | Very high | 141 Ų | 141 | 60.3 Ų | 60.3 | 61% | 0.613 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62 | -48.2 | 174.6 | -173.8 | 176.2 | -179.5 | 178.8 | 0 | 111.5 | D239 S240 F241 L245 K246 D247 | D239-K243 WeakPolarHBondContact O-CB 3.32Å; D239-K243 PolarHBondContact O-N 3.07Å; S240-K243 PolarHBondContact O-N 2.9Å; F241-K243 VanDerWaalsContact C-N 3.29Å; F241-K243 PolarHBondContact O-N 2.87Å; K243-L245 PolarHBondContact O-N 2.87Å; K243-K246 PolarHBondContact O-N 2.83Å; K243-D247 VanDerWaalsContact O-CG 3.25Å; K243-D247 PolarHBondContact O-N 3.34Å |
| 244 | I | 93.5 | Very high | 92.2 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 30% | 0.297 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 177.3 | -67.3 | 170.6 | 0 | 0 | 0 | 110.5 | L178 M182 S240 F241 K246 D247 V248 | L178-I244 HydrophobicContact CD1-CD1 4.19Å; L178-I244 HydrophobicContact CD2-CD1 4.07Å; L178-I244 HydrophobicContact CG-CD1 4.48Å; M182-I244 HydrophobicContact CE-CG2 3.74Å; M182-I244 HydrophobicContact SD-CB 4.35Å; M182-I244 HydrophobicContact SD-CG2 3.79Å; S240-I244 WeakPolarHBondContact O-CG1 3.14Å; S240-I244 PolarHBondContact O-N 2.99Å; S240-I244 VanDerWaalsContact O-N 3.09Å; F241-I244 PolarHBondContact O-N 3.19Å; I244-K246 VanDerWaalsContact C-N 3.28Å; I244-K246 PolarHBondContact O-N 3.1Å; I244-D247 PolarHBondContact O-N 2.83Å; I244-D247 VanDerWaalsContact O-N 3.13Å; I244-V248 HydrophobicContact CG2-CG2 3.71Å; I244-V248 WeakPolarHBondContact O-CG2 3.5Å; I244-V248 PolarHBondContact O-N 3.13Å |
| 245 | L | 93.3 | Very high | 92.4 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.1 | -35.9 | 178.4 | -80.6 | 168.2 | 0 | 0 | 0 | 113.5 | V185 F241 M242 K243 G249 E253 A257 | V185-L245 HydrophobicContact CG2-CD2 4.19Å; F241-L245 HydrophobicContact CD1-CD1 3.83Å; F241-L245 HydrophobicContact CD2-CD1 4.32Å; F241-L245 HydrophobicContact CE1-CD1 3.37Å; F241-L245 HydrophobicContact CE2-CD1 3.9Å; F241-L245 HydrophobicContact CE2-CG 4.31Å; F241-L245 HydrophobicContact CG-CD1 4.29Å; F241-L245 HydrophobicContact CZ-CD1 3.42Å; F241-L245 VanDerWaalsContact CZ-CD1 3.42Å; F241-L245 HydrophobicContact CZ-CG 4.27Å; F241-L245 PolarHBondContact O-N 3.29Å; M242-L245 PolarHBondContact O-N 2.82Å; M242-L245 HydrophobicContact SD-CD1 4.33Å; K243-L245 PolarHBondContact O-N 2.87Å; L245-G249 WeakPolarHBondContact O-CA 3.4Å; L245-G249 PolarHBondContact O-N 2.84Å; L245-E253 HydrophobicContact CD2-CB 4.24Å; L245-A257 HydrophobicContact CD1-CB 3.27Å; L245-A257 HydrophobicContact CD2-CB 4.21Å; L245-A257 HydrophobicContact CG-CB 4.39Å |
| 246 | K | 93.8 | Very high | 92.4 | Very high | 177 Ų | 177 | 67.7 Ų | 67.7 | 77% | 0.77 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.6 | -38.5 | 175.9 | -174.1 | -178.2 | 178 | -176.3 | 0 | 111.9 | M242 K243 I244 | M242-K246 WeakPolarHBondContact O-CB 3.43Å; M242-K246 PolarHBondContact O-N 2.88Å; K243-K246 PolarHBondContact O-N 2.83Å; I244-K246 VanDerWaalsContact C-N 3.28Å; I244-K246 PolarHBondContact O-N 3.1Å |
| 247 | D | 92.7 | Very high | 92.6 | Very high | 113 Ų | 113 | 65.6 Ų | 65.6 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -80.2 | -36.3 | -174.2 | -67.4 | -15.2 | 0 | 0 | 0 | 112.2 | K243 I244 | K243-D247 VanDerWaalsContact O-CG 3.25Å; K243-D247 PolarHBondContact O-N 3.34Å; I244-D247 PolarHBondContact O-N 2.83Å; I244-D247 VanDerWaalsContact O-N 3.13Å |
| 248 | V | 90.3 | Very high | 92.8 | Very high | 108 Ų | 108 | 72.3 Ų | 72.3 | 66% | 0.655 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -132.7 | -6.9 | -173.4 | -61.5 | 0 | 0 | 0 | 0 | 115.4 | I244 | I244-V248 HydrophobicContact CG2-CG2 3.71Å; I244-V248 WeakPolarHBondContact O-CG2 3.5Å; I244-V248 PolarHBondContact O-N 3.13Å |
| 249 | G | 88.5 | Confident | 92.7 | Very high | 12 Ų | 12 | 76.4 Ų | 76.4 | 12% | 0.124 | 39% | 0.394 | C | S | . | . | trans | -78.5 | 124.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114 | L245 E253 Q254 | L245-G249 WeakPolarHBondContact O-CA 3.4Å; L245-G249 PolarHBondContact O-N 2.84Å; G249-E253 WeakPolarHBondContact CA-OE2 3.32Å; G249-Q254 PolarHBondContact O-NE2 2.77Å | ||
| 250 | G | 91.9 | Very high | 92.6 | Very high | 22 Ų | 22 | 73.1 Ų | 73.1 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | trans | -70.1 | 170 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E252 E253 Q254 | G250-E252 VanDerWaalsContact C-N 3.33Å; G250-E252 PolarHBondContact O-N 3.44Å; G250-E253 PolarHBondContact N-OE2 3.28Å; G250-E253 PolarHBondContact O-N 2.81Å; G250-Q254 WeakPolarHBondContact O-CG 3.5Å; G250-Q254 PolarHBondContact O-N 3.42Å | ||
| 251 | P | 92.7 | Very high | 92.6 | Very high | 110 Ų | 110 | 72.7 Ų | 72.7 | 71% | 0.714 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.7 | -39.4 | -177.2 | 22 | -31.6 | 0 | 0 | 0 | 113.2 | Q254 L255 | P251-Q254 PolarHBondContact O-N 3.05Å; P251-L255 PolarHBondContact O-N 2.82Å |
| 252 | E | 91.5 | Very high | 92.4 | Very high | 104 Ų | 104 | 77.2 Ų | 77.2 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70 | -38.2 | 177.4 | -69.9 | -59.8 | 130.2 | 0 | 0 | 112.4 | G250 L255 R256 | G250-E252 VanDerWaalsContact C-N 3.33Å; G250-E252 PolarHBondContact O-N 3.44Å; E252-L255 PolarHBondContact O-N 3.27Å; E252-R256 WeakPolarHBondContact O-CG 3.4Å; E252-R256 PolarHBondContact O-N 3.32Å |
| 253 | E | 92.8 | Very high | 92.2 | Very high | 29 Ų | 29 | 77.8 Ų | 77.8 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 175.7 | -58.6 | -177.5 | 124.5 | 0 | 0 | 110.9 | V185 S186 D187 L245 G249 G250 R256 A257 | V185-E253 WeakPolarHBondContact O-CG 3.5Å; S186-E253 WeakPolarHBondContact CA-OE1 3.32Å; D187-E253 HydrophobicContact CB-CG 4.18Å; D187-E253 PolarHBondContact N-OE1 2.85Å; L245-E253 HydrophobicContact CD2-CB 4.24Å; G249-E253 WeakPolarHBondContact CA-OE2 3.32Å; G250-E253 PolarHBondContact N-OE2 3.28Å; G250-E253 PolarHBondContact O-N 2.81Å; E253-R256 PolarHBondContact O-N 3.02Å; E253-A257 VanDerWaalsContact O-CB 3.29Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 2.95Å |
| 254 | Q | 93.5 | Very high | 92 | Very high | 106 Ų | 106 | 71.8 Ų | 71.8 | 50% | 0.495 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.2 | -69.7 | -177.3 | 32.8 | 0 | 0 | 112.1 | G249 G250 P251 A257 K258 | G249-Q254 PolarHBondContact O-NE2 2.77Å; G250-Q254 WeakPolarHBondContact O-CG 3.5Å; G250-Q254 PolarHBondContact O-N 3.42Å; P251-Q254 PolarHBondContact O-N 3.05Å; Q254-A257 PolarHBondContact O-N 3.04Å; Q254-K258 PolarHBondContact O-N 3.26Å |
| 255 | L | 93.3 | Very high | 92 | Very high | 90 Ų | 90 | 72.4 Ų | 72.4 | 47% | 0.471 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 175.6 | -179 | 63.8 | 0 | 0 | 0 | 111.4 | P251 E252 A257 K258 N259 | P251-L255 PolarHBondContact O-N 2.82Å; E252-L255 PolarHBondContact O-N 3.27Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 3.35Å; L255-K258 PolarHBondContact O-N 3.22Å; L255-N259 PolarHBondContact O-N 3.22Å; L255-N259 PolarHBondContact O-ND2 3.04Å |
| 256 | R | 91.1 | Very high | 92 | Very high | 43 Ų | 43 | 74.9 Ų | 74.9 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 175.8 | -72.1 | -173.3 | -64.5 | -97.6 | 1.1 | 111.8 | V185 D187 E252 E253 N259 L260 | V185-R256 HydrophobicContact CB-CB 4.17Å; V185-R256 HydrophobicContact CG1-CB 4.1Å; V185-R256 VanDerWaalsContact O-CZ 3.26Å; V185-R256 PolarHBondContact O-NE 3.42Å; V185-R256 PolarHBondContact O-NH2 3.42Å; D187-R256 IonicContact OD1-CZ 3.34Å; D187-R256 IonicContact OD1-NH1 3.14Å; D187-R256 PolarHBondContact OD1-NH1 3.35Å; D187-R256 VanDerWaalsContact OD1-NH1 3.14Å; D187-R256 IonicContact OD1-NH2 2.65Å; D187-R256 PolarHBondContact OD1-NH2 2.77Å; E252-R256 WeakPolarHBondContact O-CG 3.4Å; E252-R256 PolarHBondContact O-N 3.32Å; E253-R256 PolarHBondContact O-N 3.02Å; R256-N259 PolarHBondContact O-N 3.08Å; R256-L260 WeakPolarHBondContact O-CB 3.3Å; R256-L260 PolarHBondContact O-N 2.82Å |
| 257 | A | 93.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V185 F241 L245 E253 Q254 L255 N259 L260 L261 | V185-A257 HydrophobicContact CG1-CB 4Å; F241-A257 HydrophobicContact CE1-CB 4.03Å; F241-A257 HydrophobicContact CZ-CB 4.02Å; L245-A257 HydrophobicContact CD1-CB 3.27Å; L245-A257 HydrophobicContact CD2-CB 4.21Å; L245-A257 HydrophobicContact CG-CB 4.39Å; E253-A257 VanDerWaalsContact O-CB 3.29Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 2.95Å; Q254-A257 PolarHBondContact O-N 3.04Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 3.35Å; A257-N259 VanDerWaalsContact C-N 3.3Å; A257-N259 PolarHBondContact O-N 3.26Å; A257-L260 PolarHBondContact O-N 2.91Å; A257-L261 WeakPolarHBondContact O-CB 3.47Å; A257-L261 WeakPolarHBondContact O-CG 3.18Å; A257-L261 PolarHBondContact O-N 2.9Å |
| 258 | K | 93.8 | Very high | 91.3 | Very high | 156 Ų | 156 | 69 Ų | 69 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | 175.9 | -171.3 | 178.4 | -180 | -179.5 | 0 | 111.9 | Q254 L255 S262 | Q254-K258 PolarHBondContact O-N 3.26Å; L255-K258 PolarHBondContact O-N 3.22Å; K258-S262 PolarHBondContact O-N 2.77Å |
| 259 | N | 90.7 | Very high | 90.8 | Very high | 99 Ų | 99 | 65.9 Ų | 65.9 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.9 | -34.3 | 176.5 | -74.1 | -28.2 | 0 | 0 | 0 | 113.1 | L255 R256 A257 S262 | L255-N259 PolarHBondContact O-N 3.22Å; L255-N259 PolarHBondContact O-ND2 3.04Å; R256-N259 PolarHBondContact O-N 3.08Å; A257-N259 VanDerWaalsContact C-N 3.3Å; A257-N259 PolarHBondContact O-N 3.26Å; N259-S262 PolarHBondContact O-OG 2.87Å |
| 260 | L | 90.4 | Very high | 90 | Very high | 16 Ų | 16 | 67.3 Ų | 67.3 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.7 | -49.4 | 176.8 | -179.7 | 61.9 | 0 | 0 | 0 | 111 | L176 M181 V185 V225 L231 R256 A257 S262 R263 I264 | L176-L260 HydrophobicContact CD1-CD1 4.3Å; M181-L260 HydrophobicContact CB-CD2 4.12Å; M181-L260 HydrophobicContact CG-CD2 4.15Å; V185-L260 HydrophobicContact CG1-CD2 4.07Å; V225-L260 HydrophobicContact CG1-CD1 4.36Å; L231-L260 HydrophobicContact CD1-CD1 4.46Å; R256-L260 WeakPolarHBondContact O-CB 3.3Å; R256-L260 PolarHBondContact O-N 2.82Å; A257-L260 PolarHBondContact O-N 2.91Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 2.82Å; L260-R263 PolarHBondContact O-N 3.11Å; L260-R263 VanDerWaalsContact O-N 3.1Å; L260-I264 HydrophobicContact CD1-CD1 4.24Å; L260-I264 HydrophobicContact CD2-CD1 4.42Å; L260-I264 HydrophobicContact CG-CD1 3.83Å; L260-I264 WeakPolarHBondContact O-CG1 3.46Å; L260-I264 PolarHBondContact O-N 3.24Å |
| 261 | L | 92.6 | Very high | 88.9 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65 | -30.9 | -177.2 | -72 | 167.3 | 0 | 0 | 0 | 113 | V238 F241 M242 A257 R263 I264 | V238-L261 HydrophobicContact CG1-CD2 4.12Å; F241-L261 HydrophobicContact CD1-CD1 4.35Å; F241-L261 HydrophobicContact CD1-CD2 4.25Å; F241-L261 HydrophobicContact CE1-CD1 4.08Å; F241-L261 HydrophobicContact CE1-CD2 4.28Å; F241-L261 HydrophobicContact CE1-CG 4.16Å; M242-L261 HydrophobicContact CG-CD1 4.42Å; M242-L261 HydrophobicContact SD-CD1 3.38Å; M242-L261 WeakPolarHBondContact SD-CD1 3.3Å; A257-L261 WeakPolarHBondContact O-CB 3.47Å; A257-L261 WeakPolarHBondContact O-CG 3.18Å; A257-L261 PolarHBondContact O-N 2.9Å; L261-R263 PolarHBondContact O-N 3.29Å; L261-R263 VanDerWaalsContact O-N 3.1Å; L261-I264 HydrophobicContact CD2-CD1 4.3Å; L261-I264 PolarHBondContact O-N 2.69Å; L261-I264 VanDerWaalsContact O-N 3.14Å |
| 262 | S | 92.1 | Very high | 87.7 | Confident | 95 Ų | 95 | 64.2 Ų | 64.2 | 66% | 0.664 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.6 | 175.4 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | K258 N259 L260 | K258-S262 PolarHBondContact O-N 2.77Å; N259-S262 PolarHBondContact O-OG 2.87Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 2.82Å |
| 263 | R | 89.9 | Confident | 86.4 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -9.3 | 178.7 | -62.8 | -173.3 | 60.6 | -139.1 | -15 | 113.7 | V225 L231 L260 L261 | V225-R263 PolarHBondContact O-NH1 3.37Å; V225-R263 PolarHBondContact O-NH2 2.92Å; L231-R263 HydrophobicContact CD1-CB 4.07Å; L260-R263 PolarHBondContact O-N 3.11Å; L260-R263 VanDerWaalsContact O-N 3.1Å; L261-R263 PolarHBondContact O-N 3.29Å; L261-R263 VanDerWaalsContact O-N 3.1Å |
| 264 | I | 91.3 | Very high | 85.3 | Confident | 14 Ų | 14 | 67.2 Ų | 67.2 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.1 | -178.9 | -69 | 172.6 | 0 | 0 | 0 | 108.5 | L176 M181 L231 C233 L260 L261 V266 | L176-I264 HydrophobicContact CD1-CD1 3.73Å; L176-I264 HydrophobicContact CD1-CG1 4Å; M181-I264 HydrophobicContact CG-CD1 4.36Å; M181-I264 HydrophobicContact SD-CD1 3.87Å; L231-I264 HydrophobicContact CB-CG1 3.94Å; L231-I264 HydrophobicContact CD1-CG1 4.36Å; C233-I264 HydrophobicContact CB-CG2 3.36Å; L260-I264 HydrophobicContact CD1-CD1 4.24Å; L260-I264 HydrophobicContact CD2-CD1 4.42Å; L260-I264 HydrophobicContact CG-CD1 3.83Å; L260-I264 WeakPolarHBondContact O-CG1 3.46Å; L260-I264 PolarHBondContact O-N 3.24Å; L261-I264 HydrophobicContact CD2-CD1 4.3Å; L261-I264 PolarHBondContact O-N 2.69Å; L261-I264 VanDerWaalsContact O-N 3.14Å; I264-V266 HydrophobicContact CG2-CG2 4.46Å |
| 265 | E | 92.7 | Very high | 84.1 | Confident | 71 Ų | 71 | 62.9 Ų | 62.9 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 114.9 | 163.5 | 177.8 | 176.4 | 119.8 | 0 | 0 | 108.8 | K230 L231 I232 C233 V267 | K230-E265 WeakPolarHBondContact CE-OE1 3.46Å; K230-E265 WeakPolarHBondContact CE-OE2 3.19Å; K230-E265 IonicContact NZ-OE1 2.84Å; K230-E265 PolarHBondContact NZ-OE1 3.08Å; K230-E265 IonicContact NZ-OE2 3.49Å; K230-E265 PolarHBondContact NZ-OE2 3.21Å; L231-E265 PolarHBondContact O-N 3.1Å; I232-E265 VanDerWaalsContact CA-O 3.26Å; I232-E265 WeakPolarHBondContact CA-O 3.32Å; I232-E265 HydrophobicContact CG2-CB 4.24Å; C233-E265 PolarHBondContact N-O 3.01Å; C233-E265 VanDerWaalsContact N-O 3.09Å; E265-V267 HydrophobicContact CG-CG2 4.39Å |
| 266 | V | 92.2 | Very high | 83.2 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 129 | 176.6 | -169.1 | 0 | 0 | 0 | 0 | 109 | C233 Q235 V238 I264 | C233-V266 CarbonylContact O-C 3.22Å; C233-V266 VanDerWaalsContact O-CA 3.26Å; C233-V266 WeakPolarHBondContact O-CA 3.26Å; Q235-V266 HydrophobicContact CB-CG1 4.29Å; V238-V266 HydrophobicContact CG2-CG1 4.04Å; V238-V266 HydrophobicContact CG2-CG2 3.99Å; I264-V266 HydrophobicContact CG2-CG2 4.46Å |
| 267 | V | 87.8 | Confident | 82.5 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.2 | -179.5 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | I232 C233 C234 Q235 E265 Y293 | I232-V267 HydrophobicContact CB-CG2 4.28Å; I232-V267 HydrophobicContact CG2-CG2 4.34Å; C233-V267 PolarHBondContact O-N 3.47Å; C234-V267 WeakPolarHBondContact CA-O 3.38Å; Q235-V267 PolarHBondContact N-O 2.71Å; Q235-V267 VanDerWaalsContact N-O 3.11Å; E265-V267 HydrophobicContact CG-CG2 4.39Å; V267-Y293 HydrophobicContact CB-CD1 3.22Å; V267-Y293 HydrophobicContact CB-CE1 3.51Å; V267-Y293 HydrophobicContact CB-CG 4.34Å; V267-Y293 HydrophobicContact CG1-CD1 3.53Å; V267-Y293 HydrophobicContact CG1-CE1 4.28Å; V267-Y293 HydrophobicContact CG1-CG 4.24Å; V267-Y293 HydrophobicContact CG2-CD1 3.48Å; V267-Y293 VanDerWaalsContact CG2-CD1 3.48Å; V267-Y293 HydrophobicContact CG2-CE1 3.81Å |
| 268 | E | 84.9 | Confident | 81.6 | Confident | 156 Ų | 156 | 73 Ų | 73 | 73% | 0.729 | 36% | 0.361 | S | S | * | . | trans | -61.7 | 141.4 | 178.8 | -69.8 | -171.8 | 169.2 | 0 | 0 | 112.2 | C270 | E268-C270 PolarHBondContact O-N 3.23Å; E268-C270 VanDerWaalsContact O-N 3.17Å | ||
| 269 | D | 80.3 | Confident | 80.8 | Confident | 42 Ų | 42 | 71.5 Ų | 71.5 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | trans | -69 | 107.3 | 174.5 | -77.6 | -49.3 | 0 | 0 | 0 | 111.3 | C234 T236 V290 | C234-D269 VanDerWaalsContact CB-OD1 3.28Å; C234-D269 WeakPolarHBondContact CB-OD1 3.47Å; C234-D269 PolarHBondContact SG-OD1 2.91Å; T236-D269 VanDerWaalsContact CB-OD2 3.24Å; T236-D269 WeakPolarHBondContact CB-OD2 3.46Å; T236-D269 PolarHBondContact N-OD2 3.47Å; T236-D269 VanDerWaalsContact OG1-CG 3.25Å; T236-D269 PolarHBondContact OG1-OD2 3.26Å; D269-V290 HydrophobicContact CB-CG1 3.35Å; D269-V290 VanDerWaalsContact CG-CG1 3.49Å | ||
| 270 | C | 70.3 | Confident | 80.3 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -99.6 | 121.1 | 174.2 | -67 | 0 | 0 | 0 | 0 | 111.8 | E268 M291 R292 | E268-C270 PolarHBondContact O-N 3.23Å; E268-C270 VanDerWaalsContact O-N 3.17Å; C270-M291 CarbonylContact O-C 3.49Å; C270-R292 HydrophobicContact CB-CB 4.13Å; C270-R292 WeakPolarHBondContact CB-O 2.95Å; C270-R292 PolarHBondContact N-O 3.42Å; C270-R292 VanDerWaalsContact O-CB 3.27Å; C270-R292 WeakPolarHBondContact O-CB 3.38Å; C270-R292 PolarHBondContact O-N 3.14Å |
| 271 | V | 68.6 | Low | 79.9 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 120 | 173 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | A275 K276 I289 V290 | V271-A275 HydrophobicContact CG1-CB 4.02Å; V271-K276 HydrophobicContact CB-CG 4.37Å; V271-K276 HydrophobicContact CG1-CG 3.59Å; V271-I289 HydrophobicContact CG1-CG2 3.65Å; V271-V290 HydrophobicContact CG2-CB 4.43Å; V271-V290 HydrophobicContact CG2-CG1 4.37Å; V271-V290 HydrophobicContact CG2-CG2 4.03Å |
| 272 | S | 68 | Low | 78.8 | Confident | 20 Ų | 20 | 77.3 Ų | 77.3 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -69 | 147.6 | 174.9 | 73.8 | 0 | 0 | 0 | 0 | 111.9 | R274 A275 K276 | S272-R274 PolarHBondContact O-N 2.93Å; S272-R274 VanDerWaalsContact O-N 3.12Å; S272-A275 WeakPolarHBondContact O-CA 3.37Å; S272-A275 WeakPolarHBondContact O-CB 3.09Å; S272-A275 PolarHBondContact O-N 3.4Å; S272-A275 WeakPolarHBondContact OG-CB 3.33Å; S272-A275 PolarHBondContact OG-N 3.27Å; S272-A275 VanDerWaalsContact OG-N 3.15Å; S272-K276 PolarHBondContact O-N 2.95Å |
| 273 | E | 65.7 | Low | 77.8 | Confident | 111 Ų | 111 | 81.6 Ų | 81.6 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -53.2 | -34.7 | 175.2 | -72.5 | -55.2 | 124.1 | 0 | 0 | 112.9 | K276 K277 | E273-K276 PolarHBondContact O-N 3.47Å; E273-K276 WeakPolarHBondContact OE1-CE 3.33Å; E273-K276 IonicContact OE1-NZ 2.59Å; E273-K276 PolarHBondContact OE1-NZ 2.85Å; E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 3.18Å |
| 274 | R | 68 | Low | 76.9 | Confident | 85 Ų | 85 | 79 Ų | 79 | 32% | 0.321 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 174.9 | -172.2 | 166.5 | -175.6 | -79.5 | -0 | 112.4 | S272 K276 K277 L310 I311 S313 | S272-R274 PolarHBondContact O-N 2.93Å; S272-R274 VanDerWaalsContact O-N 3.12Å; R274-K276 VanDerWaalsContact C-N 3.32Å; R274-K277 PolarHBondContact O-N 3.4Å; R274-L310 HydrophobicContact CB-CD2 4.29Å; R274-I311 WeakPolarHBondContact CD-O 3.38Å; R274-I311 PolarHBondContact NH1-O 3.44Å; R274-I311 VanDerWaalsContact NH1-O 3.1Å; R274-S313 PolarHBondContact NH1-OG 3.29Å |
| 275 | A | 68.8 | Low | 76 | Confident | 15 Ų | 15 | 83.2 Ų | 83.2 | 12% | 0.124 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V271 S272 K277 L278 I289 | V271-A275 HydrophobicContact CG1-CB 4.02Å; S272-A275 WeakPolarHBondContact O-CA 3.37Å; S272-A275 WeakPolarHBondContact O-CB 3.09Å; S272-A275 PolarHBondContact O-N 3.4Å; S272-A275 WeakPolarHBondContact OG-CB 3.33Å; S272-A275 PolarHBondContact OG-N 3.27Å; S272-A275 VanDerWaalsContact OG-N 3.15Å; A275-K277 PolarHBondContact O-N 3.28Å; A275-L278 WeakPolarHBondContact O-CB 3.26Å; A275-L278 PolarHBondContact O-N 2.97Å; A275-L278 VanDerWaalsContact O-N 3.13Å; A275-I289 HydrophobicContact CB-CG2 3.92Å; A275-I289 WeakPolarHBondContact O-CG2 3.5Å |
| 276 | K | 73.8 | Confident | 74.8 | Confident | 121 Ų | 121 | 84.1 Ų | 84.1 | 53% | 0.526 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61 | -30.3 | 172.7 | -64 | -178.5 | -173.4 | 169.2 | 0 | 113.1 | V271 S272 E273 R274 L278 | V271-K276 HydrophobicContact CB-CG 4.37Å; V271-K276 HydrophobicContact CG1-CG 3.59Å; S272-K276 PolarHBondContact O-N 2.95Å; E273-K276 PolarHBondContact O-N 3.47Å; E273-K276 WeakPolarHBondContact OE1-CE 3.33Å; E273-K276 IonicContact OE1-NZ 2.59Å; E273-K276 PolarHBondContact OE1-NZ 2.85Å; R274-K276 VanDerWaalsContact C-N 3.32Å; K276-L278 VanDerWaalsContact C-N 3.3Å |
| 277 | K | 77.4 | Confident | 73.6 | Confident | 173 Ų | 173 | 89.8 Ų | 89.8 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -7 | 178.4 | -67.8 | 174.6 | -176.3 | -175.3 | 0 | 113.6 | E273 R274 A275 T279 | E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 3.18Å; R274-K277 PolarHBondContact O-N 3.4Å; A275-K277 PolarHBondContact O-N 3.28Å; K277-T279 PolarHBondContact O-N 3.24Å |
| 278 | L | 74.2 | Confident | 72.5 | Confident | 55 Ų | 55 | 93.2 Ų | 93.2 | 29% | 0.288 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -72.4 | 125.9 | 179.5 | -69.1 | 171.7 | 0 | 0 | 0 | 110.5 | A275 K276 L280 I284 | A275-L278 WeakPolarHBondContact O-CB 3.26Å; A275-L278 PolarHBondContact O-N 2.97Å; A275-L278 VanDerWaalsContact O-N 3.13Å; K276-L278 VanDerWaalsContact C-N 3.3Å; L278-L280 PolarHBondContact O-N 3.12Å; L278-I284 HydrophobicContact CB-CG2 4.48Å |
| 279 | T | 77.9 | Confident | 71.5 | Confident | 124 Ų | 124 | 87.2 Ų | 87.2 | 76% | 0.761 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 127.7 | 172.3 | 5.2 | 0 | 0 | 0 | 0 | 110.1 | K277 S281 | K277-T279 PolarHBondContact O-N 3.24Å; T279-S281 PolarHBondContact O-N 2.91Å |
| 280 | L | 79.7 | Confident | 70.3 | Confident | 104 Ų | 104 | 86.8 Ų | 86.8 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 137.2 | 174.5 | -67.6 | 171.3 | 0 | 0 | 0 | 109.8 | L278 I284 P286 I289 | L278-L280 PolarHBondContact O-N 3.12Å; L280-I284 WeakPolarHBondContact CA-O 3.4Å; L280-I284 WeakPolarHBondContact CD2-O 3.37Å; L280-P286 HydrophobicContact CD1-CG 4.1Å; L280-P286 HydrophobicContact CD2-CB 4.33Å; L280-P286 HydrophobicContact CD2-CG 3.82Å; L280-I289 HydrophobicContact CD2-CD1 3.61Å |
| 281 | S | 81 | Confident | 69.2 | Low | 58 Ų | 58 | 90.3 Ų | 90.3 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | trans | -146.4 | 173.7 | 177 | 66.9 | 0 | 0 | 0 | 0 | 109.9 | T279 K283 I284 | T279-S281 PolarHBondContact O-N 2.91Å; S281-K283 PolarHBondContact O-N 2.87Å; S281-K283 VanDerWaalsContact O-N 3.08Å; S281-K283 PolarHBondContact OG-N 3.39Å; S281-I284 PolarHBondContact N-O 3.05Å; S281-I284 CarbonylContact O-C 3.6Å; S281-I284 VanDerWaalsContact O-C 3.22Å; S281-I284 PolarHBondContact O-N 3.02Å; S281-I284 PolarHBondContact OG-N 2.98Å; S281-I284 VanDerWaalsContact OG-N 3.11Å | ||
| 282 | S | 70.9 | Confident | 67.9 | Low | 114 Ų | 114 | 90.1 Ų | 90.1 | 80% | 0.797 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -54 | -29.4 | 173.3 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 283 | K | 70.8 | Confident | 66.4 | Low | 186 Ų | 186 | 91 Ų | 91 | 81% | 0.809 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -87.5 | -30.4 | 175.7 | -63.7 | -175.1 | 179.3 | -179.8 | 0 | 113.4 | S281 | S281-K283 PolarHBondContact O-N 2.87Å; S281-K283 VanDerWaalsContact O-N 3.08Å; S281-K283 PolarHBondContact OG-N 3.39Å |
| 284 | I | 69.5 | Low | 64.6 | Low | 50 Ų | 50 | 89.5 Ų | 89.5 | 26% | 0.256 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -111.2 | 91.6 | -178 | -54.7 | 175.5 | 0 | 0 | 0 | 108.8 | L278 L280 S281 I289 | L278-I284 HydrophobicContact CB-CG2 4.48Å; L280-I284 WeakPolarHBondContact CA-O 3.4Å; L280-I284 WeakPolarHBondContact CD2-O 3.37Å; S281-I284 PolarHBondContact N-O 3.05Å; S281-I284 CarbonylContact O-C 3.6Å; S281-I284 VanDerWaalsContact O-C 3.22Å; S281-I284 PolarHBondContact O-N 3.02Å; S281-I284 PolarHBondContact OG-N 2.98Å; S281-I284 VanDerWaalsContact OG-N 3.11Å; I284-I289 HydrophobicContact CG2-CD1 4.07Å; I284-I289 HydrophobicContact CG2-CG1 3.86Å |
| 285 | K | 73.1 | Confident | 62.8 | Low | 102 Ų | 102 | 91.7 Ų | 91.7 | 44% | 0.443 | 47% | 0.469 | S | S | . | . | trans | -83.7 | 156.7 | 175.8 | -63 | -176.3 | -179.8 | -177.1 | 0 | 110 | R287 T288 | K285-R287 HydrophobicContact CB-CG 4.09Å; K285-R287 PolarHBondContact O-N 3.38Å; K285-T288 WeakPolarHBondContact O-CA 3.44Å; K285-T288 VanDerWaalsContact O-CB 3.29Å; K285-T288 WeakPolarHBondContact O-CB 3.3Å; K285-T288 PolarHBondContact O-N 3.4Å; K285-T288 PolarHBondContact O-OG1 3.49Å | ||
| 286 | P | 68.7 | Low | 60.8 | Low | 90 Ų | 90 | 97.7 Ų | 97.7 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -54 | -41 | 178.6 | -25.9 | 33.9 | 0 | 0 | 0 | 112.9 | L280 T288 I289 | L280-P286 HydrophobicContact CD1-CG 4.1Å; L280-P286 HydrophobicContact CD2-CB 4.33Å; L280-P286 HydrophobicContact CD2-CG 3.82Å; P286-T288 PolarHBondContact O-N 3.49Å; P286-I289 PolarHBondContact O-N 3.48Å |
| 287 | R | 66.6 | Low | 58.6 | Low | 180 Ų | 180 | 96.8 Ų | 96.8 | 68% | 0.679 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -61.8 | -21.9 | 175.8 | 70.6 | 179.8 | -173 | 177.8 | 4.3 | 114.6 | K285 | K285-R287 HydrophobicContact CB-CG 4.09Å; K285-R287 PolarHBondContact O-N 3.38Å |
| 288 | T | 64.7 | Low | 56.1 | Low | 81 Ų | 81 | 93.2 Ų | 93.2 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -84.7 | -17.9 | -177.7 | -44.6 | 0 | 0 | 0 | 0 | 111.8 | K285 P286 V290 | K285-T288 WeakPolarHBondContact O-CA 3.44Å; K285-T288 VanDerWaalsContact O-CB 3.29Å; K285-T288 WeakPolarHBondContact O-CB 3.3Å; K285-T288 PolarHBondContact O-N 3.4Å; K285-T288 PolarHBondContact O-OG1 3.49Å; P286-T288 PolarHBondContact O-N 3.49Å; T288-V290 VanDerWaalsContact C-N 3.25Å; T288-V290 PolarHBondContact O-N 3.41Å |
| 289 | I | 63.3 | Low | 53.7 | Low | 30 Ų | 30 | 99 Ų | 99 | 15% | 0.154 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -77.7 | -17.4 | -178.9 | -66.2 | 178.5 | 0 | 0 | 0 | 111.4 | V271 A275 L280 I284 P286 | V271-I289 HydrophobicContact CG1-CG2 3.65Å; A275-I289 HydrophobicContact CB-CG2 3.92Å; A275-I289 WeakPolarHBondContact O-CG2 3.5Å; L280-I289 HydrophobicContact CD2-CD1 3.61Å; I284-I289 HydrophobicContact CG2-CD1 4.07Å; I284-I289 HydrophobicContact CG2-CG1 3.86Å; P286-I289 PolarHBondContact O-N 3.48Å |
| 290 | V | 55.2 | Low | 51.3 | Low | 33 Ų | 33 | 101.3 Ų | 101.3 | 20% | 0.2 | 54% | 0.538 | C | S | . | . | trans | -95.4 | 99.2 | -174.5 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | D269 V271 T288 | D269-V290 HydrophobicContact CB-CG1 3.35Å; D269-V290 VanDerWaalsContact CG-CG1 3.49Å; V271-V290 HydrophobicContact CG2-CB 4.43Å; V271-V290 HydrophobicContact CG2-CG1 4.37Å; V271-V290 HydrophobicContact CG2-CG2 4.03Å; T288-V290 VanDerWaalsContact C-N 3.25Å; T288-V290 PolarHBondContact O-N 3.41Å | ||
| 291 | M | 47.3 | Very low | 48.6 | Very low | 118 Ų | 118 | 103.2 Ų | 103.2 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | trans | -171.4 | 109.5 | 162 | -109.5 | -169.3 | -72.7 | 0 | 0 | 111 | C270 | C270-M291 CarbonylContact O-C 3.49Š| ||
| 292 | R | 41.3 | Very low | 45.9 | Very low | 43 Ų | 43 | 105.6 Ų | 105.6 | 16% | 0.162 | 57% | 0.566 | C | S | . | * | trans | -162.7 | 135.4 | 155 | -155.9 | -166.6 | -156.3 | 143.7 | 22.4 | 111.2 | C270 I309 L310 I311 | C270-R292 HydrophobicContact CB-CB 4.13Å; C270-R292 WeakPolarHBondContact CB-O 2.95Å; C270-R292 PolarHBondContact N-O 3.42Å; C270-R292 VanDerWaalsContact O-CB 3.27Å; C270-R292 WeakPolarHBondContact O-CB 3.38Å; C270-R292 PolarHBondContact O-N 3.14Å; R292-I309 VanDerWaalsContact CZ-C 3.41Å; R292-I309 PolarHBondContact NH1-O 3.36Å; R292-I309 PolarHBondContact NH2-O 3.14Å; R292-L310 VanDerWaalsContact NH2-CA 3.34Å; R292-I311 HydrophobicContact CG-CD1 4.26Å; R292-I311 VanDerWaalsContact NH2-CG1 3.33Å | ||
| 293 | Y | 36.8 | Very low | 43.7 | Very low | 39 Ų | 39 | 105.9 Ų | 105.9 | 15% | 0.153 | 56% | 0.563 | C | S | . | * | trans | -95.5 | 130.5 | 170.6 | -64 | -103.4 | 0 | 0 | 0 | 109.9 | N175 I232 C233 C234 V267 | N175-Y293 WeakPolarHBondContact ND2-CE2 3.16Å; N175-Y293 WeakPolarHBondContact OD1-CE2 3.28Å; N175-Y293 VanDerWaalsContact OD1-CZ 3.23Å; N175-Y293 PolarHBondContact OD1-OH 3.31Å; I232-Y293 HydrophobicContact CB-CD1 4.24Å; I232-Y293 HydrophobicContact CB-CE1 4.01Å; I232-Y293 HydrophobicContact CD1-CD1 3.66Å; I232-Y293 HydrophobicContact CD1-CE1 4.07Å; I232-Y293 HydrophobicContact CD1-CG 3.94Å; I232-Y293 HydrophobicContact CG1-CD1 4.11Å; I232-Y293 HydrophobicContact CG1-CE1 4.01Å; C233-Y293 VanDerWaalsContact C-CE1 3.4Å; C233-Y293 VanDerWaalsContact C-CZ 3.49Å; C233-Y293 WeakPolarHBondContact CA-OH 3.36Å; C233-Y293 WeakPolarHBondContact O-CE1 3.45Å; C234-Y293 WeakPolarHBondContact CA-OH 3.33Å; C234-Y293 HydrophobicContact CB-CE1 4.02Å; C234-Y293 HydrophobicContact CB-CE2 3.97Å; C234-Y293 VanDerWaalsContact CB-CZ 3.48Å; C234-Y293 WeakPolarHBondContact CB-OH 3.32Å; C234-Y293 VanDerWaalsContact N-CZ 3.32Å; C234-Y293 PolarHBondContact N-OH 2.87Å; V267-Y293 HydrophobicContact CB-CD1 3.22Å; V267-Y293 HydrophobicContact CB-CE1 3.51Å; V267-Y293 HydrophobicContact CB-CG 4.34Å; V267-Y293 HydrophobicContact CG1-CD1 3.53Å; V267-Y293 HydrophobicContact CG1-CE1 4.28Å; V267-Y293 HydrophobicContact CG1-CG 4.24Å; V267-Y293 HydrophobicContact CG2-CD1 3.48Å; V267-Y293 VanDerWaalsContact CG2-CD1 3.48Å; V267-Y293 HydrophobicContact CG2-CE1 3.81Å | ||
| 294 | S | 27.7 | Very low | 41.4 | Very low | 78 Ų | 78 | 107.3 Ų | 107.3 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | trans | -117.7 | 85.7 | 162.3 | 31.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 295 | F | 29.7 | Very low | 39.2 | Very low | 132 Ų | 132 | 110.5 Ų | 110.5 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | trans | -154.8 | 100 | 161.9 | -121.8 | -84.6 | 0 | 0 | 0 | 111.5 | ||||
| 296 | L | 28.2 | Very low | 36.8 | Very low | 141 Ų | 141 | 113.7 Ų | 113.7 | 74% | 0.738 | 61% | 0.608 | S | S | * | * | trans | -140 | 126.1 | 142.9 | -94.9 | 169.9 | 0 | 0 | 0 | 106.3 | A298 | L296-A298 PolarHBondContact O-N 2.98Š| ||
| 297 | P | 27.4 | Very low | 34.7 | Very low | 102 Ų | 102 | 114.7 Ų | 114.7 | 66% | 0.662 | 61% | 0.612 | S | S | * | * | trans | -69.9 | 129.8 | 178.5 | 17.3 | -11.1 | 0 | 0 | 0 | 109.4 | Q299 | P297-Q299 PolarHBondContact O-N 3.32Š| ||
| 298 | A | 24 | Very low | 32.6 | Very low | 97 Ų | 97 | 114.8 Ų | 114.8 | 80% | 0.802 | 61% | 0.612 | S | S | * | * | trans | -56.5 | 116.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L296 | L296-A298 PolarHBondContact O-N 2.98Š| ||
| 299 | Q | 23.2 | Very low | 30.8 | Very low | 176 Ų | 176 | 115.2 Ų | 115.2 | 82% | 0.822 | 61% | 0.61 | S | S | * | * | trans | -173.6 | 79.4 | 157 | -91.2 | -103.6 | -18.2 | 0 | 0 | 108.5 | P297 | P297-Q299 PolarHBondContact O-N 3.32Š| ||
| 300 | I | 27.1 | Very low | 29 | Very low | 173 Ų | 173 | 116.2 Ų | 116.2 | 89% | 0.887 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -147.6 | 132.9 | 136.3 | -57.6 | -170 | 0 | 0 | 0 | 106.5 | ||
| 301 | N | 23 | Very low | 27.7 | Very low | 145 Ų | 145 | 117.7 Ų | 117.7 | 78% | 0.775 | 62% | 0.622 | S | S | * | * | trans | -62.7 | 155.5 | -161.8 | -69.5 | -42.8 | 0 | 0 | 0 | 116.5 | ||||
| 302 | S | 25.4 | Very low | 26.6 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 75% | 0.748 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 69.1 | 87.8 | 154.5 | -159.1 | 0 | 0 | 0 | 0 | 117.4 | ||
| 303 | T | 24.3 | Very low | 25.8 | Very low | 120 Ų | 120 | 115 Ų | 115 | 74% | 0.736 | 62% | 0.619 | S | S | * | * | S | Bend | 146.1 | 126.7 | 127.2 | 47.7 | 0 | 0 | 0 | 0 | 109.6 | T305 | T303-T305 PolarHBondContact O-N 3.29Å; T303-T305 PolarHBondContact O-OG1 2.89Å | |
| 304 | K | 23.8 | Very low | 25.3 | Very low | 216 Ų | 216 | 126.8 Ų | 126.8 | 94% | 0.939 | 66% | 0.664 | S | S | * | * | trans | -7.8 | 88.6 | 177.4 | -67.8 | 174.9 | 176.5 | 175.7 | 0 | 115.2 | ||||
| 305 | T | 22.4 | Very low | 25.2 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 67% | 0.67 | S | S | * | * | trans | -116.2 | 93.4 | 166.5 | -55.7 | 0 | 0 | 0 | 0 | 108.5 | T303 V307 | T303-T305 PolarHBondContact O-N 3.29Å; T303-T305 PolarHBondContact O-OG1 2.89Å; T305-V307 HydrophobicContact CG2-CG2 3.69Å; T305-V307 PolarHBondContact O-N 3.49Å; T305-V307 VanDerWaalsContact O-N 3.17Å | ||
| 306 | Q | 23.3 | Very low | 24.9 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | trans | -72.9 | 98 | 161.2 | -78.4 | -166.1 | 11.4 | 0 | 0 | 107.8 | R308 | Q306-R308 PolarHBondContact O-N 2.96Š| ||
| 307 | V | 23.2 | Very low | 24.8 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 67% | 0.673 | 67% | 0.671 | S | S | * | * | trans | -74.5 | 93.1 | 172.2 | -178 | 0 | 0 | 0 | 0 | 108.1 | T305 I309 | T305-V307 HydrophobicContact CG2-CG2 3.69Å; T305-V307 PolarHBondContact O-N 3.49Å; T305-V307 VanDerWaalsContact O-N 3.17Å; V307-I309 HydrophobicContact CG1-CD1 4.21Å; V307-I309 HydrophobicContact CG1-CG1 3.95Å | ||
| 308 | R | 24 | Very low | 24.6 | Very low | 182 Ų | 182 | 130 Ų | 130 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | trans | -122.8 | 89.8 | 173.4 | -120.2 | -177.6 | -177.3 | -179.8 | 1.2 | 108.8 | R46 Q306 | R46-R308 PolarHBondContact NH2-O 2.66Å; Q306-R308 PolarHBondContact O-N 2.96Å | ||
| 309 | I | 26.2 | Very low | 24.6 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 46% | 0.456 | 66% | 0.663 | S | S | . | * | trans | -83.3 | 139.3 | 178.6 | -37 | 179 | 0 | 0 | 0 | 107.2 | R292 V307 | R292-I309 VanDerWaalsContact CZ-C 3.41Å; R292-I309 PolarHBondContact NH1-O 3.36Å; R292-I309 PolarHBondContact NH2-O 3.14Å; V307-I309 HydrophobicContact CG1-CD1 4.21Å; V307-I309 HydrophobicContact CG1-CG1 3.95Å | ||
| 310 | L | 25.8 | Very low | 24.7 | Very low | 52 Ų | 52 | 129.1 Ų | 129.1 | 27% | 0.272 | 65% | 0.653 | S | S | . | * | trans | -134.5 | 136.3 | 168.3 | -101.1 | 157.2 | 0 | 0 | 0 | 107.6 | R46 R274 R292 | R46-L310 HydrophobicContact CG-CD1 4.41Å; R274-L310 HydrophobicContact CB-CD2 4.29Å; R292-L310 VanDerWaalsContact NH2-CA 3.34Å | ||
| 311 | I | 27.9 | Very low | 24.6 | Very low | 63 Ų | 63 | 126 Ų | 126 | 32% | 0.323 | 64% | 0.636 | S | S | . | * | trans | -102.7 | 115.9 | -175.8 | -58.2 | -175.4 | 0 | 0 | 0 | 112.2 | R274 R292 | R274-I311 WeakPolarHBondContact CD-O 3.38Å; R274-I311 PolarHBondContact NH1-O 3.44Å; R274-I311 VanDerWaalsContact NH1-O 3.1Å; R292-I311 HydrophobicContact CG-CD1 4.26Å; R292-I311 VanDerWaalsContact NH2-CG1 3.33Å | ||
| 312 | T | 24.2 | Very low | 24.7 | Very low | 43 Ų | 43 | 124.5 Ų | 124.5 | 26% | 0.264 | 63% | 0.625 | S | S | . | * | trans | -52.4 | 114.6 | 153.3 | 121.3 | 0 | 0 | 0 | 0 | 117 | S86 | S86-T312 WeakPolarHBondContact O-CG2 3.19Å; S86-T312 PolarHBondContact O-OG1 3.27Å | ||
| 313 | S | 23.9 | Very low | 24.6 | Very low | 62 Ų | 62 | 126 Ų | 126 | 43% | 0.434 | 62% | 0.615 | S | S | . | * | trans | -81.9 | 108.8 | 165.6 | 62.2 | 0 | 0 | 0 | 0 | 109 | R274 | R274-S313 PolarHBondContact NH1-OG 3.29Š| ||
| 314 | R | 26.9 | Very low | 24.7 | Very low | 287 Ų | 287 | 126.5 Ų | 126.5 | 100% | 1.083 | 60% | 0.604 | S | S | * | * | trans | -149.5 | 0 | 149.2 | -77.1 | -159.3 | -180 | -177.9 | 2 | 108.9 |
Retrieved 314 of 314 residues in 2084.2 ms
(Link to these results)