| 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 | 45.3 | Very low | 43.2 | Very low | 247 Ų | 247 | 160.1 Ų | 160.1 | 100% | 1.217 | 86% | 0.861 | S | S | * | * | 0 | 145.2 | 0 | -161.5 | 170.9 | -172.6 | 0 | 0 | 107.1 | |||||
| 2 | A | 38.8 | Very low | 43.2 | Very low | 94 Ų | 94 | 160.3 Ų | 160.3 | 78% | 0.777 | 86% | 0.862 | S | S | * | * | trans | 73 | 159.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3 | P | 51.4 | Low | 43.5 | Very low | 124 Ų | 124 | 162.1 Ų | 162.1 | 81% | 0.805 | 86% | 0.861 | S | S | * | * | -135.4 | -178.6 | -88.9 | 34.1 | -13.9 | 0 | 0 | 0 | 115.6 | |||||
| 4 | I | 48.9 | Very low | 44.5 | Very low | 157 Ų | 157 | 161.7 Ų | 161.7 | 81% | 0.805 | 86% | 0.857 | S | S | * | * | trans | -75.6 | 139.1 | 174.9 | -61.3 | 163.4 | 0 | 0 | 0 | 111.1 | ||||
| 5 | T | 44.6 | Very low | 45.1 | Very low | 139 Ų | 139 | 156.6 Ų | 156.6 | 85% | 0.853 | 84% | 0.837 | S | S | * | * | trans | -138.8 | 148.4 | 155.1 | 39.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 6 | T | 46.6 | Very low | 45.8 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 82% | 0.816 | 83% | 0.83 | S | S | * | * | trans | -116 | 138.3 | -173.2 | 31.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 7 | S | 37.3 | Very low | 46.3 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -154.7 | 109.1 | 154.2 | 45.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 8 | R | 38.5 | Very low | 46.8 | Very low | 250 Ų | 250 | 149.1 Ų | 149.1 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | 79.3 | 122.1 | 75.5 | -141.2 | 177.6 | -159.5 | 168.1 | 3.9 | 112.4 | |||||
| 9 | V | 42.8 | Very low | 47.2 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 144 | -175.4 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | F11 | V9-F11 HydrophobicContact CG1-CD2 3.7Å; V9-F11 HydrophobicContact CG1-CE2 3.86Å | ||
| 10 | E | 36.7 | Very low | 47.6 | Very low | 193 Ų | 193 | 141.4 Ų | 141.4 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -123.2 | 125.6 | 162.4 | -163.2 | 157.2 | -136.9 | 0 | 0 | 107.5 | ||||
| 11 | F | 43.8 | Very low | 48.1 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -95 | 128.9 | 175.9 | -92.7 | -95 | 0 | 0 | 0 | 107.8 | V9 | V9-F11 HydrophobicContact CG1-CD2 3.7Å; V9-F11 HydrophobicContact CG1-CE2 3.86Å | ||
| 12 | D | 43.2 | Very low | 48.7 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | trans | -108.2 | 130.9 | 175.4 | -147.6 | -0.1 | 0 | 0 | 0 | 109.9 | ||||
| 13 | E | 47.9 | Very low | 49.7 | Very low | 184 Ų | 184 | 130 Ų | 130 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 132 | -169.3 | -66 | -173.3 | 139.8 | 0 | 0 | 112.2 | ||
| 14 | I | 57.8 | Low | 50.3 | Low | 157 Ų | 157 | 131 Ų | 131 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 126.6 | 174.3 | -58.7 | 176.3 | 0 | 0 | 0 | 109.1 | T16 | I14-T16 PolarHBondContact O-N 3.08Š|
| 15 | P | 52.7 | Low | 51.2 | Low | 85 Ų | 85 | 125.4 Ų | 125.4 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 120.1 | -168.2 | 26.3 | -34.9 | 0 | 0 | 0 | 113.5 | V17 V18 | P15-V17 PolarHBondContact O-N 2.72Å; P15-V18 PolarHBondContact O-N 2.79Å |
| 16 | T | 57.2 | Low | 52.2 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -16.1 | -178.9 | -25.3 | 0 | 0 | 0 | 0 | 114.8 | I14 V18 G19 | I14-T16 PolarHBondContact O-N 3.08Å; T16-V18 VanDerWaalsContact C-N 3.31Å; T16-V18 PolarHBondContact O-N 3.33Å; T16-G19 PolarHBondContact O-N 3.07Å |
| 17 | V | 54.3 | Low | 53.4 | Low | 104 Ų | 104 | 122.3 Ų | 122.3 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -61.4 | -35 | -176.8 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | P15 G19 I20 | P15-V17 PolarHBondContact O-N 2.72Å; V17-G19 PolarHBondContact O-N 3.14Å; V17-I20 PolarHBondContact O-N 3.23Å |
| 18 | V | 54.7 | Low | 55.1 | Low | 113 Ų | 113 | 124 Ų | 124 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.8 | -34.6 | -176 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | P15 T16 | P15-V18 PolarHBondContact O-N 2.79Å; T16-V18 VanDerWaalsContact C-N 3.31Å; T16-V18 PolarHBondContact O-N 3.33Å |
| 19 | G | 54.5 | Low | 56.8 | Low | 52 Ų | 52 | 116.2 Ų | 116.2 | 54% | 0.536 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -68.4 | -34.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | T16 V17 A23 | T16-G19 PolarHBondContact O-N 3.07Å; V17-G19 PolarHBondContact O-N 3.14Å; G19-A23 PolarHBondContact O-N 3.2Å |
| 20 | I | 56 | Low | 58.3 | Low | 92 Ų | 92 | 115.2 Ų | 115.2 | 47% | 0.472 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71.8 | -42.9 | -174.9 | -63.3 | 175.5 | 0 | 0 | 0 | 111.2 | V17 S22 A23 F24 | V17-I20 PolarHBondContact O-N 3.23Å; I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 3.19Å; I20-A23 PolarHBondContact O-N 2.79Å; I20-F24 HydrophobicContact CG2-CD2 3.75Å; I20-F24 HydrophobicContact CG2-CE2 3.61Å; I20-F24 WeakPolarHBondContact O-CD2 3.46Å; I20-F24 PolarHBondContact O-N 3.28Å |
| 21 | V | 56.8 | Low | 60.2 | Low | 106 Ų | 106 | 109.4 Ų | 109.4 | 64% | 0.642 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.2 | -36.2 | 179.1 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | G25 | V21-G25 PolarHBondContact O-N 3.29Å |
| 22 | S | 58.9 | Low | 61.8 | Low | 82 Ų | 82 | 104.6 Ų | 104.6 | 57% | 0.573 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.2 | -47.3 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 112.6 | I20 G25 L26 | I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 3.19Å; S22-G25 PolarHBondContact O-N 3.02Å; S22-L26 PolarHBondContact O-N 3.1Å |
| 23 | A | 59.8 | Low | 63.3 | Low | 56 Ų | 56 | 104 Ų | 104 | 46% | 0.463 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.9 | -43.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G19 I20 G25 L26 V27 | G19-A23 PolarHBondContact O-N 3.2Å; I20-A23 PolarHBondContact O-N 2.79Å; A23-G25 PolarHBondContact O-N 2.86Å; A23-L26 PolarHBondContact O-N 3.21Å; A23-V27 PolarHBondContact O-N 3.2Å |
| 24 | F | 63.9 | Low | 64.6 | Low | 146 Ų | 146 | 97.8 Ų | 97.8 | 64% | 0.64 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.7 | -35.5 | -179.6 | -78.8 | -66.7 | 0 | 0 | 0 | 113 | I20 L26 V27 F28 | I20-F24 HydrophobicContact CG2-CD2 3.75Å; I20-F24 HydrophobicContact CG2-CE2 3.61Å; I20-F24 WeakPolarHBondContact O-CD2 3.46Å; I20-F24 PolarHBondContact O-N 3.28Å; F24-L26 PolarHBondContact O-N 3.35Å; F24-V27 PolarHBondContact O-N 2.97Å; F24-F28 WeakPolarHBondContact O-CB 3.24Å; F24-F28 PolarHBondContact O-N 3.5Å |
| 25 | G | 68.3 | Low | 65.5 | Low | 38 Ų | 38 | 99.1 Ų | 99.1 | 39% | 0.392 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.9 | -37.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V21 S22 A23 T29 | V21-G25 PolarHBondContact O-N 3.29Å; S22-G25 PolarHBondContact O-N 3.02Å; A23-G25 PolarHBondContact O-N 2.86Å; G25-T29 WeakPolarHBondContact O-CG2 3.28Å; G25-T29 PolarHBondContact O-N 3.08Å; G25-T29 VanDerWaalsContact O-N 3.17Å; G25-T29 PolarHBondContact O-OG1 3.34Å |
| 26 | L | 64.3 | Low | 66.7 | Low | 116 Ų | 116 | 98.9 Ų | 98.9 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.2 | -41.4 | 177.3 | -109.4 | 167.6 | 0 | 0 | 0 | 112.6 | S22 A23 F24 F28 T29 V30 | S22-L26 PolarHBondContact O-N 3.1Å; A23-L26 PolarHBondContact O-N 3.21Å; F24-L26 PolarHBondContact O-N 3.35Å; L26-F28 PolarHBondContact O-N 2.86Å; L26-T29 PolarHBondContact O-OG1 2.68Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 2.85Å |
| 27 | V | 72.3 | Confident | 67.2 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 56% | 0.558 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -38.6 | 177.3 | 176 | 0 | 0 | 0 | 0 | 111.4 | A23 F24 S31 | A23-V27 PolarHBondContact O-N 3.2Å; F24-V27 PolarHBondContact O-N 2.97Å; V27-S31 WeakPolarHBondContact O-CB 3.2Å; V27-S31 PolarHBondContact O-N 3.19Å; V27-S31 VanDerWaalsContact O-N 3.14Å; V27-S31 PolarHBondContact O-OG 2.87Å |
| 28 | F | 72.7 | Confident | 67.9 | Low | 151 Ų | 151 | 96 Ų | 96 | 66% | 0.662 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67 | -43.3 | 179.3 | -147.7 | -92.4 | 0 | 0 | 0 | 112.1 | F24 L26 S31 L32 | F24-F28 WeakPolarHBondContact O-CB 3.24Å; F24-F28 PolarHBondContact O-N 3.5Å; L26-F28 PolarHBondContact O-N 2.86Å; F28-S31 PolarHBondContact O-N 2.95Å; F28-L32 HydrophobicContact CD1-CD1 4.23Å; F28-L32 HydrophobicContact CE1-CD1 3.96Å; F28-L32 WeakPolarHBondContact O-CB 3.45Å; F28-L32 PolarHBondContact O-N 2.85Å |
| 29 | T | 73.4 | Confident | 68.4 | Low | 86 Ų | 86 | 96.5 Ų | 96.5 | 53% | 0.528 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 179.7 | 47 | 0 | 0 | 0 | 0 | 113 | G25 L26 L32 F33 | G25-T29 WeakPolarHBondContact O-CG2 3.28Å; G25-T29 PolarHBondContact O-N 3.08Å; G25-T29 VanDerWaalsContact O-N 3.17Å; G25-T29 PolarHBondContact O-OG1 3.34Å; L26-T29 PolarHBondContact O-OG1 2.68Å; T29-L32 PolarHBondContact O-N 3.24Å; T29-F33 PolarHBondContact O-N 3.26Å |
| 30 | V | 75.3 | Confident | 68.3 | Low | 95 Ų | 95 | 103.3 Ų | 103.3 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.6 | -42.2 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | L26 F33 A34 | L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 2.85Å; V30-F33 PolarHBondContact O-N 2.79Å; V30-A34 PolarHBondContact O-N 3.39Å |
| 31 | S | 77.1 | Confident | 68 | Low | 71 Ų | 71 | 109.2 Ų | 109.2 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.3 | -40.3 | 179.4 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | V27 F28 A34 W35 | V27-S31 WeakPolarHBondContact O-CB 3.2Å; V27-S31 PolarHBondContact O-N 3.19Å; V27-S31 VanDerWaalsContact O-N 3.14Å; V27-S31 PolarHBondContact O-OG 2.87Å; F28-S31 PolarHBondContact O-N 2.95Å; S31-A34 PolarHBondContact O-N 2.95Å; S31-W35 PolarHBondContact O-N 3.47Å |
| 32 | L | 76.9 | Confident | 67.6 | Low | 91 Ų | 91 | 109.2 Ų | 109.2 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.3 | -35.3 | 179.5 | -152.4 | 147 | 0 | 0 | 0 | 111.4 | F28 T29 W35 I36 | F28-L32 HydrophobicContact CD1-CD1 4.23Å; F28-L32 HydrophobicContact CE1-CD1 3.96Å; F28-L32 WeakPolarHBondContact O-CB 3.45Å; F28-L32 PolarHBondContact O-N 2.85Å; T29-L32 PolarHBondContact O-N 3.24Å; L32-W35 PolarHBondContact O-N 3.19Å; L32-I36 HydrophobicContact CD2-CD1 3.71Å; L32-I36 HydrophobicContact CD2-CG1 4.44Å; L32-I36 WeakPolarHBondContact O-CG1 3.38Å; L32-I36 PolarHBondContact O-N 2.77Å |
| 33 | F | 75.1 | Confident | 67 | Low | 150 Ų | 150 | 109.8 Ų | 109.8 | 66% | 0.658 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.5 | -39.8 | 172.4 | -141.9 | -89.6 | 0 | 0 | 0 | 112.3 | T29 V30 I36 C37 | T29-F33 PolarHBondContact O-N 3.26Å; V30-F33 PolarHBondContact O-N 2.79Å; F33-I36 PolarHBondContact O-N 2.64Å; F33-C37 WeakPolarHBondContact O-CB 3.4Å; F33-C37 PolarHBondContact O-N 3.29Å; F33-C37 PolarHBondContact O-SG 3.42Å |
| 34 | A | 73.6 | Confident | 66.4 | Low | 53 Ų | 53 | 115.4 Ų | 115.4 | 44% | 0.438 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -43.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | V30 S31 C37 C38 | V30-A34 PolarHBondContact O-N 3.39Å; S31-A34 PolarHBondContact O-N 2.95Å; A34-C37 PolarHBondContact O-N 3.41Å; A34-C38 PolarHBondContact O-N 2.83Å; A34-C38 PolarHBondContact O-SG 3.05Å; A34-C38 VanDerWaalsContact O-SG 3.41Å |
| 35 | W | 77.6 | Confident | 65.2 | Low | 186 Ų | 186 | 113.4 Ų | 113.4 | 71% | 0.705 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -57.6 | -51.1 | 174.4 | -171.8 | -53.2 | 0 | 0 | 0 | 111.4 | S31 L32 C37 C38 Q39 | S31-W35 PolarHBondContact O-N 3.47Å; L32-W35 PolarHBondContact O-N 3.19Å; W35-C37 VanDerWaalsContact C-N 3.3Å; W35-C37 PolarHBondContact O-N 3.27Å; W35-C38 PolarHBondContact O-N 3.33Å; W35-C38 VanDerWaalsContact O-N 3.14Å; W35-Q39 WeakPolarHBondContact O-CB 3.34Å; W35-Q39 PolarHBondContact O-N 3.27Å |
| 36 | I | 77.3 | Confident | 64.2 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 41% | 0.41 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -58.9 | -42.4 | 179.2 | -70.6 | 169.9 | 0 | 0 | 0 | 111 | L32 F33 Q39 R40 | L32-I36 HydrophobicContact CD2-CD1 3.71Å; L32-I36 HydrophobicContact CD2-CG1 4.44Å; L32-I36 WeakPolarHBondContact O-CG1 3.38Å; L32-I36 PolarHBondContact O-N 2.77Å; F33-I36 PolarHBondContact O-N 2.64Å; I36-Q39 PolarHBondContact O-N 3.31Å; I36-R40 VanDerWaalsContact O-CB 3.3Å; I36-R40 WeakPolarHBondContact O-CB 3.44Å; I36-R40 PolarHBondContact O-N 2.84Å |
| 37 | C | 69.4 | Low | 62.9 | Low | 70 Ų | 70 | 122.5 Ų | 122.5 | 47% | 0.473 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -61.7 | -42.5 | 175.4 | -75 | 0 | 0 | 0 | 0 | 112.8 | F33 A34 W35 R41 | F33-C37 WeakPolarHBondContact O-CB 3.4Å; F33-C37 PolarHBondContact O-N 3.29Å; F33-C37 PolarHBondContact O-SG 3.42Å; A34-C37 PolarHBondContact O-N 3.41Å; W35-C37 VanDerWaalsContact C-N 3.3Å; W35-C37 PolarHBondContact O-N 3.27Å; C37-R41 PolarHBondContact O-N 2.88Å |
| 38 | C | 67.4 | Low | 61.3 | Low | 89 Ų | 89 | 124.6 Ų | 124.6 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.6 | -43.3 | 176.6 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | A34 W35 R40 R41 S42 | A34-C38 PolarHBondContact O-N 2.83Å; A34-C38 PolarHBondContact O-SG 3.05Å; A34-C38 VanDerWaalsContact O-SG 3.41Å; W35-C38 PolarHBondContact O-N 3.33Å; W35-C38 VanDerWaalsContact O-N 3.14Å; C38-R40 VanDerWaalsContact C-N 3.33Å; C38-R40 PolarHBondContact O-N 2.69Å; C38-R41 WeakPolarHBondContact O-CB 3.42Å; C38-R41 PolarHBondContact O-N 3.46Å; C38-R41 VanDerWaalsContact O-N 3.07Å; C38-S42 PolarHBondContact O-N 2.86Å |
| 39 | Q | 65.4 | Low | 59.5 | Low | 124 Ų | 124 | 121.4 Ų | 121.4 | 58% | 0.579 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.6 | -39.1 | 178.4 | -164.7 | 173.1 | 14.9 | 0 | 0 | 111.7 | W35 I36 R41 S42 S43 | W35-Q39 WeakPolarHBondContact O-CB 3.34Å; W35-Q39 PolarHBondContact O-N 3.27Å; I36-Q39 PolarHBondContact O-N 3.31Å; Q39-R41 PolarHBondContact O-N 2.78Å; Q39-S42 PolarHBondContact O-N 2.9Å; Q39-S43 PolarHBondContact O-N 3.16Å |
| 40 | R | 52.4 | Low | 57.7 | Low | 196 Ų | 196 | 123.7 Ų | 123.7 | 74% | 0.74 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.5 | -14.9 | 175.2 | -153.1 | 174.4 | -165.8 | 171.8 | 4.6 | 113.8 | I36 C38 | I36-R40 VanDerWaalsContact O-CB 3.3Å; I36-R40 WeakPolarHBondContact O-CB 3.44Å; I36-R40 PolarHBondContact O-N 2.84Å; C38-R40 VanDerWaalsContact C-N 3.33Å; C38-R40 PolarHBondContact O-N 2.69Å |
| 41 | R | 50.7 | Low | 55.7 | Low | 216 Ų | 216 | 128.1 Ų | 128.1 | 82% | 0.815 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -89.8 | -31 | 172.5 | -157.1 | 173.7 | -173.8 | 177.8 | 0.8 | 112 | C37 C38 Q39 | C37-R41 PolarHBondContact O-N 2.88Å; C38-R41 WeakPolarHBondContact O-CB 3.42Å; C38-R41 PolarHBondContact O-N 3.46Å; C38-R41 VanDerWaalsContact O-N 3.07Å; Q39-R41 PolarHBondContact O-N 2.78Å |
| 42 | S | 47.8 | Very low | 53.6 | Low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -72.8 | -31.4 | 178.5 | -172 | 0 | 0 | 0 | 0 | 113.8 | C38 Q39 K44 | C38-S42 PolarHBondContact O-N 2.86Å; Q39-S42 PolarHBondContact O-N 2.9Å; S42-K44 PolarHBondContact O-N 2.97Å; S42-K44 VanDerWaalsContact O-N 3.15Å |
| 43 | S | 47.3 | Very low | 51.8 | Low | 95 Ų | 95 | 137.1 Ų | 137.1 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 1 | -177.1 | 62.5 | 0 | 0 | 0 | 0 | 116 | Q39 S45 | Q39-S43 PolarHBondContact O-N 3.16Å; S43-S45 PolarHBondContact O-N 3.41Å |
| 44 | K | 46.9 | Very low | 50.1 | Low | 173 Ų | 173 | 133.9 Ų | 133.9 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | trans | -86.5 | 83.3 | 175.8 | -69.8 | -169.6 | 176.7 | -174.4 | 0 | 111.1 | S42 N46 | S42-K44 PolarHBondContact O-N 2.97Å; S42-K44 VanDerWaalsContact O-N 3.15Å; K44-N46 PolarHBondContact O-N 2.89Å | ||
| 45 | S | 38.4 | Very low | 48.8 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | trans | -58.1 | 130 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 112 | S43 K47 | S43-S45 PolarHBondContact O-N 3.41Å; S45-K47 PolarHBondContact O-N 3.27Å; S45-K47 VanDerWaalsContact O-N 3.14Å | ||
| 46 | N | 47.5 | Very low | 46.9 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 85% | 0.85 | 67% | 0.67 | S | S | * | * | trans | -72.3 | 98.9 | 175.9 | -81 | -43.5 | 0 | 0 | 0 | 111.4 | K44 | K44-N46 PolarHBondContact O-N 2.89Š| ||
| 47 | K | 37.5 | Very low | 45.3 | Very low | 186 Ų | 186 | 130 Ų | 130 | 81% | 0.809 | 67% | 0.668 | S | S | * | * | trans | -140.8 | 97.1 | 158.3 | -70.2 | -168.6 | 179.5 | -178.9 | 0 | 110.5 | S45 P49 | S45-K47 PolarHBondContact O-N 3.27Å; S45-K47 VanDerWaalsContact O-N 3.14Å; K47-P49 WeakPolarHBondContact O-CD 3.43Å | ||
| 48 | T | 38.3 | Very low | 43.8 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | trans | -86.4 | 116.2 | 169.4 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 49 | P | 33.8 | Very low | 42.6 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | trans | -73.5 | 154.3 | 167.4 | 28.2 | -30.1 | 0 | 0 | 0 | 111.2 | K47 Y51 | K47-P49 WeakPolarHBondContact O-CD 3.43Å; P49-Y51 HydrophobicContact CB-CD2 4Å; P49-Y51 HydrophobicContact CB-CE2 3.83Å; P49-Y51 HydrophobicContact CG-CD2 3.78Å; P49-Y51 HydrophobicContact CG-CE2 3.66Å; P49-Y51 PolarHBondContact O-N 3.03Å | ||
| 50 | P | 35.4 | Very low | 41.2 | Very low | 133 Ų | 133 | 135 Ų | 135 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -79.1 | 91.8 | -176.1 | 32.2 | -34.5 | 0 | 0 | 0 | 111.3 | ||||
| 51 | Y | 34.9 | Very low | 40.6 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 74% | 0.737 | 71% | 0.706 | S | S | * | * | trans | -107.5 | 117.1 | 172.6 | -79.7 | -86.7 | 0 | 0 | 0 | 111.6 | P49 F53 | P49-Y51 HydrophobicContact CB-CD2 4Å; P49-Y51 HydrophobicContact CB-CE2 3.83Å; P49-Y51 HydrophobicContact CG-CD2 3.78Å; P49-Y51 HydrophobicContact CG-CE2 3.66Å; P49-Y51 PolarHBondContact O-N 3.03Å; Y51-F53 PolarHBondContact O-N 3.22Å | ||
| 52 | K | 31.7 | Very low | 40 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -67.9 | 118 | 163.1 | -73.5 | -177.7 | 174 | -178.8 | 0 | 108.7 | V54 | K52-V54 PolarHBondContact O-N 3.39Š| ||
| 53 | F | 38.6 | Very low | 39.4 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | trans | -74.3 | 107.1 | 171.5 | -85.4 | -91.2 | 0 | 0 | 0 | 109.8 | Y51 | Y51-F53 PolarHBondContact O-N 3.22Š| ||
| 54 | V | 39.9 | Very low | 38.8 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 112.2 | 168.4 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | K52 V56 | K52-V54 PolarHBondContact O-N 3.39Å; V54-V56 VanDerWaalsContact C-N 3.34Å; V54-V56 HydrophobicContact CB-CG2 4.46Å; V54-V56 HydrophobicContact CG1-CG2 3.82Å; V54-V56 PolarHBondContact O-N 3.45Å |
| 55 | H | 46.2 | Very low | 38.5 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 37% | 0.366 | 72% | 0.716 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75 | 87.5 | 173.4 | -80 | -85.7 | 0 | 0 | 0 | 110.3 | L57 | H55-L57 PolarHBondContact O-N 3.29Å; H55-L57 VanDerWaalsContact O-N 3.15Å |
| 56 | V | 38.5 | Very low | 38.1 | Very low | 87 Ų | 87 | 138 Ų | 138 | 53% | 0.527 | 72% | 0.718 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.1 | 91 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | V54 K58 Y226 | V54-V56 VanDerWaalsContact C-N 3.34Å; V54-V56 HydrophobicContact CB-CG2 4.46Å; V54-V56 HydrophobicContact CG1-CG2 3.82Å; V54-V56 PolarHBondContact O-N 3.45Å; V56-K58 PolarHBondContact O-N 3.06Å; V56-Y226 HydrophobicContact CG1-CE2 4.1Å |
| 57 | L | 42.9 | Very low | 37.4 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 37% | 0.372 | 72% | 0.72 | S | S | . | * | trans | -76.4 | 87.9 | 175.5 | -72.2 | 167.7 | 0 | 0 | 0 | 111.3 | H55 V206 | H55-L57 PolarHBondContact O-N 3.29Å; H55-L57 VanDerWaalsContact O-N 3.15Å; L57-V206 HydrophobicContact CD1-CG1 4.16Å | ||
| 58 | K | 38.4 | Very low | 37.1 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | trans | -83.3 | 116.9 | 144.6 | -102.2 | -178.6 | 174.9 | 177.3 | 0 | 106.5 | V56 V60 | V56-K58 PolarHBondContact O-N 3.06Å; K58-V60 PolarHBondContact O-N 3.31Å | ||
| 59 | G | 42.7 | Very low | 36.7 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -61.1 | 100.5 | -161.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 60 | V | 36.3 | Very low | 36.7 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -148.8 | 140.1 | 154.7 | -178.5 | 0 | 0 | 0 | 0 | 106.3 | K58 I62 | K58-V60 PolarHBondContact O-N 3.31Å; V60-I62 WeakPolarHBondContact O-CG1 3.39Å; V60-I62 PolarHBondContact O-N 3.24Å |
| 61 | D | 38.4 | Very low | 36.5 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -63.3 | 130.4 | 177.3 | -66.9 | -66.1 | 0 | 0 | 0 | 111.8 | Y63 | D61-Y63 PolarHBondContact O-N 3.15Š| ||
| 62 | I | 38.8 | Very low | 36.4 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -100.7 | 37.8 | -173.3 | -35.7 | 179.9 | 0 | 0 | 0 | 111.8 | V60 | V60-I62 WeakPolarHBondContact O-CG1 3.39Å; V60-I62 PolarHBondContact O-N 3.24Å | ||
| 63 | Y | 35.6 | Very low | 36.2 | Very low | 218 Ų | 218 | 145.7 Ų | 145.7 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -130.1 | 123.3 | 167.3 | -76.5 | -76.9 | 0 | 0 | 0 | 109.6 | D61 E65 | D61-Y63 PolarHBondContact O-N 3.15Å; Y63-E65 PolarHBondContact O-N 3.34Å |
| 64 | P | 34.4 | Very low | 35.8 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -74.5 | 111.4 | 178.9 | 29.4 | -32.6 | 0 | 0 | 0 | 110.1 | N66 | P64-N66 PolarHBondContact O-N 3.17Š| ||
| 65 | E | 39.9 | Very low | 35.3 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -64.4 | 123.5 | 157.6 | -72.8 | -163.6 | 161.4 | 0 | 0 | 109.1 | Y63 | Y63-E65 PolarHBondContact O-N 3.34Š| ||
| 66 | N | 30.8 | Very low | 34.5 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -165.3 | 119.4 | 157.9 | -103.1 | -40.8 | 0 | 0 | 0 | 110.5 | P64 | P64-N66 PolarHBondContact O-N 3.17Š| ||
| 67 | L | 32.2 | Very low | 34.2 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | 161.8 | 70.9 | 123.9 | -84.6 | 167.2 | 0 | 0 | 0 | 112.5 | |||||
| 68 | S | 30.7 | Very low | 33.7 | Very low | 125 Ų | 125 | 150.8 Ų | 150.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -157.9 | 47.6 | 163.2 | 61 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 69 | S | 30.8 | Very low | 33.2 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -128.2 | 88.7 | 165.1 | 58 | 0 | 0 | 0 | 0 | 112.4 | K71 | S69-K71 PolarHBondContact O-N 3.07Š| ||
| 70 | K | 33.2 | Very low | 32.6 | Very low | 208 Ų | 208 | 154.5 Ų | 154.5 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -64.2 | 113.2 | 170.9 | -164.3 | 173.9 | -171.5 | 173.9 | 0 | 108.5 | K72 | K70-K72 PolarHBondContact O-N 3.21Š| ||
| 71 | K | 32.6 | Very low | 32.4 | Very low | 197 Ų | 197 | 153.2 Ų | 153.2 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -50.1 | 123 | 174.9 | -80.2 | -178.7 | 173.8 | 179 | 0 | 110.3 | S69 | S69-K71 PolarHBondContact O-N 3.07Š| ||
| 72 | K | 32.4 | Very low | 32 | Very low | 204 Ų | 204 | 155.1 Ų | 155.1 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -111.6 | 130 | 151.7 | -90 | -168.5 | 171.4 | -173.1 | 0 | 107.9 | K70 | K70-K72 PolarHBondContact O-N 3.21Š| ||
| 73 | F | 28 | Very low | 31.5 | Very low | 212 Ų | 212 | 156 Ų | 156 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -64.8 | 142.4 | 168.2 | -90.2 | -105.7 | 0 | 0 | 0 | 109.9 | ||||
| 74 | G | 29.2 | Very low | 31.1 | Very low | 73 Ų | 73 | 154.5 Ų | 154.5 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -149.4 | 123.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 75 | G | 28.9 | Very low | 31 | Very low | 72 Ų | 72 | 154.4 Ų | 154.4 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | -84.9 | 172.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 76 | D | 30.7 | Very low | 30.4 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | 23.9 | 135.6 | 155.4 | -51.7 | -19.8 | 0 | 0 | 0 | 118.7 | ||||
| 77 | D | 31.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 63% | 0.626 | 81% | 0.814 | S | S | * | * | -164 | 157.6 | 50.7 | -153.7 | -4 | 0 | 0 | 0 | 114 | |||||
| 78 | K | 32.2 | Very low | 30.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 81% | 0.811 | S | S | * | * | trans | 41.8 | 120 | 159.8 | -77.2 | 149.1 | -163.2 | 122 | 0 | 123.2 | ||||
| 79 | N | 28.2 | Very low | 30.5 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -66.6 | 147.7 | 146.7 | -70.8 | -50.8 | 0 | 0 | 0 | 111.7 | ||||
| 80 | E | 29.8 | Very low | 30.4 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -145.3 | 142.7 | 140.9 | -145.5 | -173.3 | -168.7 | 0 | 0 | 110.5 | ||||
| 81 | A | 32 | Very low | 30.1 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -121.9 | 141.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 82 | K | 29.7 | Very low | 29.9 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -136.8 | 152.9 | 166.7 | -76.3 | -171.6 | 177.4 | 166 | 0 | 112.7 | ||||
| 83 | N | 28.8 | Very low | 29.6 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -110.8 | 144.3 | -158.8 | -92.7 | -58.6 | 0 | 0 | 0 | 114 | ||||
| 84 | K | 26.9 | Very low | 29.8 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 62.6 | 169.4 | 143.6 | -69.6 | -176.5 | 178.8 | -178.3 | 0 | 119.3 | ||||
| 85 | P | 33.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | cis | -127.5 | -171.9 | -19.1 | 26.1 | -2.5 | 0 | 0 | 0 | 113.9 | ||||
| 86 | A | 27.8 | Very low | 29.9 | Very low | 83 Ų | 83 | 146.5 Ų | 146.5 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | -86.2 | -174.5 | 164 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 87 | V | 27.7 | Very low | 30 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | cis | -158.8 | -168.1 | 23.4 | -122.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 88 | P | 35.3 | Very low | 30.1 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | cis | -131.1 | -128.7 | 3.1 | 38 | -14.2 | 0 | 0 | 0 | 114.7 | ||||
| 89 | K | 32 | Very low | 30.2 | Very low | 184 Ų | 184 | 149 Ų | 149 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -103.9 | 161.6 | -176.8 | -62.6 | 166.3 | 172.2 | 174.7 | 0 | 113.1 | ||||
| 90 | I | 27.6 | Very low | 30.5 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -133.7 | 142.1 | 145.3 | -64.5 | -177.6 | 0 | 0 | 0 | 109.6 | ||||
| 91 | S | 28.3 | Very low | 30.6 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -147 | 121.8 | 179.8 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 92 | L | 27.8 | Very low | 30.6 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -156.4 | 141.1 | 165.1 | -68.1 | 179.2 | 0 | 0 | 0 | 106.4 | ||||
| 93 | H | 27.3 | Very low | 31 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | cis | 82.4 | 142.3 | 4.4 | -155.5 | 44.8 | 0 | 0 | 0 | 117.9 | ||||
| 94 | L | 30.8 | Very low | 31 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | 63.4 | 145.3 | -171.8 | -69.2 | 107.3 | 0 | 0 | 0 | 116.1 | ||||
| 95 | D | 27.8 | Very low | 31.4 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | -166.4 | 169.8 | -25.5 | -129.9 | -17.6 | 0 | 0 | 0 | 109.6 | ||||
| 96 | L | 32.9 | Very low | 31.8 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 152.3 | 127 | 130.9 | -95.9 | 117.8 | 0 | 0 | 0 | 114.6 | ||||
| 97 | E | 31.8 | Very low | 32 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 62% | 0.617 | 79% | 0.791 | S | S | * | * | trans | -71.9 | 161.7 | 170.2 | -55.7 | 176.1 | 108.4 | 0 | 0 | 113.2 | R99 | E97-R99 IonicContact OE1-CZ 2.78Å; E97-R99 VanDerWaalsContact OE1-CZ 3.3Å; E97-R99 IonicContact OE1-NH1 2.8Å; E97-R99 PolarHBondContact OE1-NH1 3.24Å; E97-R99 IonicContact OE1-NH2 2.64Å; E97-R99 PolarHBondContact OE1-NH2 3Å; E97-R99 VanDerWaalsContact OE1-NH2 3.08Å; E97-R99 IonicContact OE2-NH1 2.76Å | ||
| 98 | K | 35.2 | Very low | 32.1 | Very low | 208 Ų | 208 | 151.6 Ų | 151.6 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | -160.7 | 152.7 | 115.7 | -106.6 | 166.7 | -172.3 | -178.3 | 0 | 113.3 | |||||
| 99 | R | 33.6 | Very low | 31.7 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 60% | 0.604 | 79% | 0.789 | S | S | * | * | trans | -94.8 | 166.3 | -176.7 | -62.6 | 171.1 | 173.1 | 70.4 | 10.6 | 110.8 | E97 | E97-R99 IonicContact OE1-CZ 2.78Å; E97-R99 VanDerWaalsContact OE1-CZ 3.3Å; E97-R99 IonicContact OE1-NH1 2.8Å; E97-R99 PolarHBondContact OE1-NH1 3.24Å; E97-R99 IonicContact OE1-NH2 2.64Å; E97-R99 PolarHBondContact OE1-NH2 3Å; E97-R99 VanDerWaalsContact OE1-NH2 3.08Å; E97-R99 IonicContact OE2-NH1 2.76Å | ||
| 100 | D | 33.3 | Very low | 31.6 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | -165.2 | 131.1 | 122.6 | -80.5 | -28.2 | 0 | 0 | 0 | 106.5 | |||||
| 101 | L | 33.3 | Very low | 31.6 | Very low | 140 Ų | 140 | 153.2 Ų | 153.2 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | cis | 77.7 | 66.6 | 34.2 | -64.3 | 178.8 | 0 | 0 | 0 | 116 | ||||
| 102 | N | 32.3 | Very low | 31.7 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | trans | -133.7 | 95.8 | 147.8 | -103.2 | -21.1 | 0 | 0 | 0 | 109.5 | ||||
| 103 | G | 36.3 | Very low | 31.6 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -88.8 | 120.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 104 | N | 29.5 | Very low | 31.6 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -157.3 | 137.6 | 153 | -130.8 | -6.8 | 0 | 0 | 0 | 111.7 | ||||
| 105 | F | 36.6 | Very low | 32.2 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -97.9 | 152.9 | 168.1 | -78.9 | -88.7 | 0 | 0 | 0 | 109.7 | ||||
| 106 | P | 40.5 | Very low | 32.3 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -125 | 146.1 | 135.3 | 12.1 | 7.6 | 0 | 0 | 0 | 112.9 | ||||
| 107 | K | 32.8 | Very low | 32.1 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -95 | 142.1 | 171.4 | -59.6 | 166.5 | 177.3 | 172.2 | 0 | 110 | ||||
| 108 | T | 29.6 | Very low | 32.2 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -150.7 | 106.3 | 145.2 | 41.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 109 | N | 26.9 | Very low | 31.8 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | 43.6 | 109.9 | 77.6 | -81.4 | -24.3 | 0 | 0 | 0 | 114.3 | |||||
| 110 | L | 30.2 | Very low | 31.5 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | -171.6 | 174.7 | 101.5 | -95.7 | 168.1 | 0 | 0 | 0 | 112 | |||||
| 111 | K | 27.2 | Very low | 31.3 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -138.7 | 138.3 | -154.8 | -172.4 | -172.4 | -173.6 | -174.9 | 0 | 110.9 | ||||
| 112 | A | 30.2 | Very low | 31 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | 47.6 | 134.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 113 | G | 25.6 | Very low | 31.2 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 177.6 | 115 | 163 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 114 | S | 27.5 | Very low | 30.7 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -98 | -176.1 | 154 | 56.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 115 | P | 43 | Very low | 30.4 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | cis | -142.1 | -169.1 | 9.9 | 36.1 | -11.3 | 0 | 0 | 0 | 116.7 | ||||
| 116 | S | 29.4 | Very low | 29.9 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | 64.7 | 152.4 | 155.9 | 16.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 117 | D | 29.2 | Very low | 29.2 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | cis | -163 | 169.1 | 4.4 | -115.8 | -29.2 | 0 | 0 | 0 | 113.2 | ||||
| 118 | L | 33.3 | Very low | 29 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | 67.9 | 141.7 | 155.3 | -70.8 | 155.8 | 0 | 0 | 0 | 119.3 | ||||
| 119 | E | 28.4 | Very low | 28.8 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | cis | -141.1 | 150.2 | 9.7 | -82.9 | -160.5 | 103.4 | 0 | 0 | 114.2 | ||||
| 120 | N | 27.1 | Very low | 28.8 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | trans | 38 | 139.5 | 134 | -52.9 | -35.8 | 0 | 0 | 0 | 121 | ||||
| 121 | V | 27.8 | Very low | 28.7 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | cis | -150.4 | 146.5 | 36 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 122 | T | 27.1 | Very low | 28.5 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -127 | 149 | 156.8 | -18.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 123 | P | 37.1 | Very low | 28.4 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | -143.9 | 179.2 | 92.3 | 18.6 | 5.8 | 0 | 0 | 0 | 112.3 | |||||
| 124 | K | 26.3 | Very low | 28.3 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | cis | -159.3 | 137.6 | -6.2 | -107.5 | 156.2 | -169.8 | 176.8 | 0 | 104.4 | ||||
| 125 | L | 23.7 | Very low | 28.2 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | 93.7 | 103 | 60 | -164.1 | 87.6 | 0 | 0 | 0 | 114 | |||||
| 126 | F | 25.1 | Very low | 27.9 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | 65.2 | 159.2 | 147.5 | -71.2 | -136 | 0 | 0 | 0 | 117.4 | ||||
| 127 | T | 25.5 | Very low | 27.8 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | cis | -150.9 | 170.9 | 10.3 | -19.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 128 | E | 28.8 | Very low | 27.9 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | -55.8 | 159 | 172.6 | -48.5 | 155.1 | 128.2 | 0 | 0 | 115.6 | ||||
| 129 | R | 25.7 | Very low | 27.8 | Very low | 245 Ų | 245 | 143.4 Ų | 143.4 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | -172.5 | 163.2 | 113.7 | -103.2 | 172.6 | -175.3 | -174.9 | 1.4 | 114.8 | |||||
| 130 | E | 26.3 | Very low | 27.9 | Very low | 152 Ų | 152 | 145 Ų | 145 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | trans | -89.8 | 171.1 | -169.5 | -42.2 | 174 | 114.2 | 0 | 0 | 115.3 | ||||
| 131 | K | 28.7 | Very low | 28 | Very low | 152 Ų | 152 | 144 Ų | 144 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | trans | 106.3 | 124.2 | 134.5 | -89.3 | 165.6 | -178.5 | 139.8 | 0 | 122.2 | ||||
| 132 | E | 23.7 | Very low | 28.1 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 76.8 | 112.7 | 137.8 | -77 | 169.7 | 171.5 | 0 | 0 | 122.7 | ||||
| 133 | A | 27 | Very low | 28.3 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | 50 | 129.2 | 129.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 134 | T | 23.8 | Very low | 27.9 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | -175.7 | 144.1 | 114.3 | -71.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 135 | S | 26.4 | Very low | 28.6 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -95.6 | 147.6 | 172 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 136 | P | 34.7 | Very low | 28.8 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | -144.3 | 167.9 | 110.2 | 34.3 | -17.6 | 0 | 0 | 0 | 115.9 | |||||
| 137 | E | 27.6 | Very low | 29.3 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -66.5 | 167.2 | 171.1 | -41.6 | 168.6 | 120.8 | 0 | 0 | 110.6 | ||||
| 138 | S | 31 | Very low | 29.7 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | cis | -169.1 | 161 | 24.3 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 139 | L | 31.9 | Very low | 30.1 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | 66.5 | 121.8 | 146.3 | -71.8 | 164.3 | 0 | 0 | 0 | 124.1 | ||||
| 140 | K | 31.3 | Very low | 30.8 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 74.5 | 138.7 | 152.2 | -59.1 | 167.7 | -172.3 | 177.2 | 0 | 116.6 | ||||
| 141 | S | 28.7 | Very low | 31.9 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -162.2 | 169.1 | -0.3 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 142 | S | 29.1 | Very low | 33.8 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | 64.5 | 106.6 | 152.6 | 53.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 143 | T | 31.6 | Very low | 36.7 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | 73.9 | 100.8 | 130.9 | -40 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 144 | S | 30 | Very low | 39.8 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -157 | 141.6 | 131.7 | 24.8 | 0 | 0 | 0 | 0 | 111.8 | T146 | S144-T146 PolarHBondContact O-N 2.99Š| ||
| 145 | L | 40.5 | Very low | 43.2 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 90% | 0.895 | 72% | 0.723 | S | S | * | * | trans | -67.8 | 118.5 | -171.5 | -64.4 | 154.5 | 0 | 0 | 0 | 112.6 | ||||
| 146 | T | 27.4 | Very low | 46.6 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 77% | 0.767 | 70% | 0.7 | S | S | * | * | trans | -129.8 | 98.7 | 146.9 | 43.1 | 0 | 0 | 0 | 0 | 108.4 | S144 E148 | S144-T146 PolarHBondContact O-N 2.99Å; T146-E148 PolarHBondContact O-N 2.99Å | ||
| 147 | S | 35.3 | Very low | 49.6 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | trans | -73.8 | 82.3 | 168.6 | 54 | 0 | 0 | 0 | 0 | 108.8 | E149 | S147-E149 PolarHBondContact O-N 2.82Š| ||
| 148 | E | 33.7 | Very low | 52.9 | Low | 171 Ų | 171 | 117.9 Ų | 117.9 | 80% | 0.799 | 63% | 0.633 | S | S | * | * | trans | -58.1 | 120.2 | 160.8 | -66.9 | -174.1 | 163.9 | 0 | 0 | 107.7 | T146 K150 | T146-E148 PolarHBondContact O-N 2.99Å; E148-K150 VanDerWaalsContact C-N 3.28Å; E148-K150 PolarHBondContact O-N 2.88Å | ||
| 149 | E | 38.8 | Very low | 56.1 | Low | 191 Ų | 191 | 113.3 Ų | 113.3 | 89% | 0.893 | 60% | 0.601 | S | S | * | * | trans | -63.3 | 94.1 | 172.1 | -70.1 | -171.7 | 151.3 | 0 | 0 | 108.2 | S147 Q151 | S147-E149 PolarHBondContact O-N 2.82Å; E149-Q151 VanDerWaalsContact C-N 3.27Å; E149-Q151 PolarHBondContact O-N 2.77Å | ||
| 150 | K | 40.2 | Very low | 59.2 | Low | 198 Ų | 198 | 106.7 Ų | 106.7 | 86% | 0.861 | 57% | 0.566 | S | S | * | * | trans | -68.9 | 88.4 | -177.1 | -157.7 | 178.1 | -168.5 | 178.8 | 0 | 108.7 | E148 E152 | E148-K150 VanDerWaalsContact C-N 3.28Å; E148-K150 PolarHBondContact O-N 2.88Å; K150-E152 PolarHBondContact O-N 2.8Å | ||
| 151 | Q | 49.6 | Very low | 62.3 | Low | 181 Ų | 181 | 97.6 Ų | 97.6 | 85% | 0.846 | 53% | 0.527 | S | S | * | . | trans | -56.3 | 109.7 | -172.9 | -156.7 | 172.1 | 28.3 | 0 | 0 | 109.6 | E149 K153 | E149-Q151 VanDerWaalsContact C-N 3.27Å; E149-Q151 PolarHBondContact O-N 2.77Å; Q151-K153 PolarHBondContact O-N 3.45Å | ||
| 152 | E | 66.8 | Low | 65.5 | Low | 146 Ų | 146 | 95.6 Ų | 95.6 | 68% | 0.682 | 51% | 0.506 | S | S | * | . | trans | -60.6 | 108.3 | -175.1 | -66.6 | 176.8 | 147.6 | 0 | 0 | 109.9 | K150 L154 K279 | K150-E152 PolarHBondContact O-N 2.8Å; E152-L154 PolarHBondContact O-N 3.08Å; E152-K279 IonicContact OE2-NZ 3.57Å | ||
| 153 | K | 85.2 | Confident | 68.7 | Low | 176 Ų | 176 | 91.5 Ų | 91.5 | 77% | 0.765 | 48% | 0.476 | S | S | * | . | trans | -72.1 | 127.6 | 174.5 | -63.5 | -169.2 | 176.3 | -164.5 | 0 | 108.7 | Q151 G155 | Q151-K153 PolarHBondContact O-N 3.45Å; K153-G155 VanDerWaalsContact C-N 3.32Å | ||
| 154 | L | 92.5 | Very high | 71.7 | Confident | 16 Ų | 16 | 86.9 Ų | 86.9 | 8% | 0.084 | 45% | 0.446 | C | S | . | . | trans | -96.8 | 16.4 | -176.1 | -55.7 | 168.8 | 0 | 0 | 0 | 113.1 | E152 P181 I277 K279 | E152-L154 PolarHBondContact O-N 3.08Å; L154-P181 HydrophobicContact CD2-CG 3.95Å; L154-I277 HydrophobicContact CB-CB 4.19Å; L154-I277 HydrophobicContact CB-CG2 3.94Å; L154-I277 WeakPolarHBondContact O-CD1 3.02Å; L154-K279 HydrophobicContact CD1-CB 3.61Å; L154-K279 HydrophobicContact CD1-CG 4.06Å; L154-K279 VanDerWaalsContact CD1-N 3.31Å | ||
| 155 | G | 94.8 | Very high | 74.6 | Confident | 11 Ų | 11 | 85.9 Ų | 85.9 | 11% | 0.113 | 43% | 0.426 | C | S | . | . | trans | 88.6 | -175.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K153 Q178 G179 I277 | K153-G155 VanDerWaalsContact C-N 3.32Å; G155-Q178 CarbonylContact C-O 3.57Å; G155-Q178 WeakPolarHBondContact CA-O 3.37Å; G155-G179 WeakPolarHBondContact CA-O 3.28Å; G155-G179 PolarHBondContact N-O 2.82Å; G155-I277 WeakPolarHBondContact O-CB 3.28Å; G155-I277 PolarHBondContact O-N 3.45Å | ||
| 156 | T | 97.5 | Very high | 77 | Confident | 35 Ų | 35 | 86 Ų | 86 | 22% | 0.215 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.2 | -176.9 | -60.4 | 0 | 0 | 0 | 0 | 110 | F158 A177 Q178 N274 | T156-F158 HydrophobicContact CG2-CD2 4.27Å; T156-F158 HydrophobicContact CG2-CE2 3.71Å; T156-F158 HydrophobicContact CG2-CZ 3.92Å; T156-A177 CarbonylContact O-C 3.6Å; T156-A177 VanDerWaalsContact O-CA 3.23Å; T156-A177 WeakPolarHBondContact O-CA 3.1Å; T156-Q178 PolarHBondContact N-O 2.86Å; T156-Q178 PolarHBondContact O-N 3.25Å; T156-N274 HydrophobicContact CG2-CB 3.88Å |
| 157 | L | 97.9 | Very high | 80 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.9 | 174.7 | 178.6 | 60.1 | 0 | 0 | 0 | 110.6 | L159 I174 A177 I194 F240 V257 N274 R275 I277 | L157-L159 HydrophobicContact CD2-CD2 4.3Å; L157-L159 HydrophobicContact CG-CD2 4.11Å; L157-I174 HydrophobicContact CD1-CG2 4.2Å; L157-A177 HydrophobicContact CD1-CB 4.42Å; L157-I194 HydrophobicContact CD1-CD1 3.4Å; L157-I194 VanDerWaalsContact CD1-CD1 3.4Å; L157-I194 HydrophobicContact CD2-CD1 4.47Å; L157-F240 HydrophobicContact CD2-CB 3.89Å; L157-F240 HydrophobicContact CD2-CD1 4.12Å; L157-F240 HydrophobicContact CD2-CD2 3.99Å; L157-F240 HydrophobicContact CD2-CG 3.73Å; L157-V257 HydrophobicContact CB-CG2 4.15Å; L157-V257 HydrophobicContact CD2-CB 4.26Å; L157-V257 HydrophobicContact CD2-CG2 4.07Å; L157-N274 CarbonylContact O-C 3.55Å; L157-N274 WeakPolarHBondContact O-CA 3.15Å; L157-R275 PolarHBondContact N-O 3.2Å; L157-R275 PolarHBondContact O-N 2.96Å; L157-I277 HydrophobicContact CB-CG1 4.26Å |
| 158 | F | 98.1 | Very high | 82.7 | Confident | 53 Ų | 53 | 87.2 Ų | 87.2 | 23% | 0.232 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.9 | 175.1 | -63.7 | -99.7 | 0 | 0 | 0 | 110.3 | T156 K175 E176 Q178 N274 | T156-F158 HydrophobicContact CG2-CD2 4.27Å; T156-F158 HydrophobicContact CG2-CE2 3.71Å; T156-F158 HydrophobicContact CG2-CZ 3.92Å; F158-K175 HydrophobicContact CB-CB 4.45Å; F158-K175 WeakPolarHBondContact O-CB 3.41Å; F158-K175 PolarHBondContact O-N 3.49Å; F158-E176 HydrophobicContact CB-CG 3.84Å; F158-E176 HydrophobicContact CD2-CG 4.06Å; F158-E176 HydrophobicContact CG-CG 4.15Å; F158-E176 PolarHBondContact N-O 3.02Å; F158-E176 PolarHBondContact O-N 3.28Å; F158-Q178 HydrophobicContact CD2-CG 4.16Å; F158-Q178 HydrophobicContact CE2-CB 4.04Å; F158-Q178 VanDerWaalsContact CE2-CD 3.46Å; F158-Q178 HydrophobicContact CE2-CG 3.68Å; F158-N274 HydrophobicContact CD1-CB 3.62Å; F158-N274 HydrophobicContact CE1-CB 3.68Å; F158-N274 HydrophobicContact CG-CB 4.2Å; F158-N274 HydrophobicContact CZ-CB 4.29Å |
| 159 | L | 97.8 | Very high | 85.5 | Confident | 2 Ų | 2 | 79.1 Ų | 79.1 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 177.2 | -177.9 | 66.1 | 132.7 | 0 | 0 | 0 | 111.7 | L157 L161 N173 F240 I259 M273 | L157-L159 HydrophobicContact CD2-CD2 4.3Å; L157-L159 HydrophobicContact CG-CD2 4.11Å; L159-L161 HydrophobicContact CD1-CD1 4.49Å; L159-L161 HydrophobicContact CD1-CD2 3.7Å; L159-L161 HydrophobicContact CD1-CG 3.99Å; L159-N173 CarbonylContact C-O 3.54Å; L159-N173 VanDerWaalsContact CA-O 3.31Å; L159-N173 WeakPolarHBondContact CA-O 3.41Å; L159-F240 HydrophobicContact CD1-CE2 4.37Å; L159-F240 HydrophobicContact CD1-CZ 4.09Å; L159-I259 HydrophobicContact CD1-CD1 3.96Å; L159-I259 HydrophobicContact CD2-CD1 3.72Å; L159-I259 HydrophobicContact CG-CD1 4.47Å; L159-M273 HydrophobicContact CD1-CG 4.11Å; L159-M273 HydrophobicContact CD1-SD 4.36Å; L159-M273 HydrophobicContact CD2-CG 4.25Å; L159-M273 HydrophobicContact CG-CG 3.91Å; L159-M273 PolarHBondContact N-O 2.67Å; L159-M273 PolarHBondContact O-N 2.78Å; L159-M273 VanDerWaalsContact O-O 3.05Å |
| 160 | S | 97 | Very high | 88.2 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 147.9 | 170.5 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | N173 K270 M271 L272 | S160-N173 PolarHBondContact N-O 3.01Å; S160-N173 PolarHBondContact O-N 2.94Å; S160-N173 WeakPolarHBondContact OG-CB 3.37Å; S160-N173 PolarHBondContact OG-OD1 2.86Å; S160-K270 WeakPolarHBondContact OG-CE 3.13Å; S160-K270 PolarHBondContact OG-NZ 3.38Å; S160-M271 CarbonylContact C-O 3.45Å; S160-M271 WeakPolarHBondContact CA-O 3.15Å; S160-M271 WeakPolarHBondContact CB-O 3.46Å; S160-L272 VanDerWaalsContact CB-CD2 3.45Å |
| 161 | L | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138 | -173.3 | -55.8 | 179.9 | 0 | 0 | 0 | 108.7 | L159 F170 V171 V172 L238 L261 I264 L266 M271 M273 | L159-L161 HydrophobicContact CD1-CD1 4.49Å; L159-L161 HydrophobicContact CD1-CD2 3.7Å; L159-L161 HydrophobicContact CD1-CG 3.99Å; L161-F170 HydrophobicContact CB-CE2 4.35Å; L161-F170 HydrophobicContact CD2-CE2 4.39Å; L161-F170 HydrophobicContact CD2-CZ 4.05Å; L161-V171 WeakPolarHBondContact CA-O 3.47Å; L161-V172 HydrophobicContact CD2-CB 4.28Å; L161-V172 HydrophobicContact CD2-CG1 3.92Å; L161-V172 HydrophobicContact CD2-CG2 3.84Å; L161-L238 HydrophobicContact CD1-CD1 4.46Å; L161-L238 HydrophobicContact CD2-CD1 3.52Å; L161-L261 HydrophobicContact CD1-CD2 3.82Å; L161-I264 HydrophobicContact CD1-CD1 4.18Å; L161-L266 HydrophobicContact CB-CD1 4.42Å; L161-L266 HydrophobicContact CB-CD2 3.84Å; L161-M271 HydrophobicContact CB-CB 4.48Å; L161-M271 PolarHBondContact N-O 2.87Å; L161-M271 PolarHBondContact O-N 3.08Å; L161-M273 HydrophobicContact CD1-CE 4.44Å; L161-M273 HydrophobicContact CD1-SD 4.28Å |
| 162 | E | 95.9 | Very high | 93.1 | Very high | 62 Ų | 62 | 53 Ų | 53 | 29% | 0.29 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 145.1 | -179.9 | -177.5 | -172.2 | 142.5 | 0 | 0 | 108.3 | F170 V171 K270 | E162-F170 WeakPolarHBondContact O-CD2 3.4Å; E162-V171 HydrophobicContact CB-CB 4.25Å; E162-V171 PolarHBondContact N-O 2.84Å; E162-V171 PolarHBondContact O-N 2.89Å; E162-K270 HydrophobicContact CB-CB 4.39Å; E162-K270 HydrophobicContact CB-CG 4.49Å; E162-K270 HydrophobicContact CG-CB 4.43Å |
| 163 | Y | 95.5 | Very high | 94.5 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.2 | 171.4 | -171.8 | -89.1 | 0 | 0 | 0 | 110.7 | F165 K168 F170 I228 Y230 I233 | Y163-F165 AromaticContact CD1-CD1 3.79Å; Y163-F165 HydrophobicContact CD1-CD1 3.79Å; Y163-F165 AromaticContact CD1-CD2 3.97Å; Y163-F165 HydrophobicContact CD1-CD2 3.97Å; Y163-F165 AromaticContact CD1-CE1 3.81Å; Y163-F165 HydrophobicContact CD1-CE1 3.81Å; Y163-F165 AromaticContact CD1-CE2 3.98Å; Y163-F165 HydrophobicContact CD1-CE2 3.98Å; Y163-F165 AromaticContact CD1-CG 3.87Å; Y163-F165 HydrophobicContact CD1-CG 3.87Å; Y163-F165 AromaticContact CD1-CZ 3.91Å; Y163-F165 HydrophobicContact CD1-CZ 3.91Å; Y163-F165 AromaticContact CE1-CD1 3.75Å; Y163-F165 HydrophobicContact CE1-CD1 3.75Å; Y163-F165 HydrophobicContact CE1-CE1 4.03Å; Y163-F165 HydrophobicContact CE1-CG 4.07Å; Y163-F165 WeakPolarHBondContact O-CD2 3.38Å; Y163-F165 PolarHBondContact O-N 2.8Å; Y163-K168 WeakPolarHBondContact OH-CA 3Å; Y163-F170 HydrophobicContact CD2-CB 4.13Å; Y163-F170 HydrophobicContact CE2-CB 4.48Å; Y163-I228 VanDerWaalsContact CE2-O 3.31Å; Y163-I228 WeakPolarHBondContact CE2-O 3.45Å; Y163-I228 PolarHBondContact OH-O 2.94Å; Y163-Y230 AromaticContact CD1-CD2 3.56Å; Y163-Y230 HydrophobicContact CD1-CD2 3.56Å; Y163-Y230 HydrophobicContact CD1-CE2 4.38Å; Y163-Y230 HydrophobicContact CD1-CG 4.33Å; Y163-Y230 HydrophobicContact CD2-CD2 4.12Å; Y163-Y230 AromaticContact CE1-CD2 3.99Å; Y163-Y230 HydrophobicContact CE1-CD2 3.99Å; Y163-Y230 HydrophobicContact CE1-CG 4.34Å; Y163-Y230 AromaticContact CG-CD2 3.63Å; Y163-Y230 HydrophobicContact CG-CD2 3.63Å; Y163-Y230 HydrophobicContact CG-CE2 4.31Å; Y163-Y230 PolarHBondContact OH-N 2.72Å; Y163-Y230 VanDerWaalsContact OH-N 3.13Å; Y163-I233 HydrophobicContact CD2-CD1 4.04Å; Y163-I233 HydrophobicContact CD2-CG1 4.03Å; Y163-I233 HydrophobicContact CE2-CD1 4.2Å; Y163-I233 HydrophobicContact CE2-CG1 4.17Å |
| 164 | N | 93.9 | Very high | 95.2 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 19% | 0.193 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 104.1 | 176.4 | -172.5 | -72.3 | 0 | 0 | 0 | 109.7 | E166 K167 K168 A169 | N164-E166 PolarHBondContact OD1-N 2.88Å; N164-K167 VanDerWaalsContact OD1-CB 3.25Å; N164-K167 WeakPolarHBondContact OD1-CB 3.05Å; N164-K167 WeakPolarHBondContact OD1-CG 3.27Å; N164-K167 PolarHBondContact OD1-N 3.03Å; N164-K168 WeakPolarHBondContact O-CA 3.41Å; N164-K168 PolarHBondContact O-N 3.05Å; N164-A169 PolarHBondContact N-O 2.83Å; N164-A169 PolarHBondContact O-N 2.96Å; N164-A169 VanDerWaalsContact O-N 3.08Å |
| 165 | F | 91.6 | Very high | 95.4 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 44% | 0.439 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -40 | -177.8 | -69.6 | -87.3 | 0 | 0 | 0 | 113.6 | Y163 K167 K168 Y230 | Y163-F165 AromaticContact CD1-CD1 3.79Å; Y163-F165 HydrophobicContact CD1-CD1 3.79Å; Y163-F165 AromaticContact CD1-CD2 3.97Å; Y163-F165 HydrophobicContact CD1-CD2 3.97Å; Y163-F165 AromaticContact CD1-CE1 3.81Å; Y163-F165 HydrophobicContact CD1-CE1 3.81Å; Y163-F165 AromaticContact CD1-CE2 3.98Å; Y163-F165 HydrophobicContact CD1-CE2 3.98Å; Y163-F165 AromaticContact CD1-CG 3.87Å; Y163-F165 HydrophobicContact CD1-CG 3.87Å; Y163-F165 AromaticContact CD1-CZ 3.91Å; Y163-F165 HydrophobicContact CD1-CZ 3.91Å; Y163-F165 AromaticContact CE1-CD1 3.75Å; Y163-F165 HydrophobicContact CE1-CD1 3.75Å; Y163-F165 HydrophobicContact CE1-CE1 4.03Å; Y163-F165 HydrophobicContact CE1-CG 4.07Å; Y163-F165 WeakPolarHBondContact O-CD2 3.38Å; Y163-F165 PolarHBondContact O-N 2.8Å; F165-K167 PolarHBondContact O-N 3.07Å; F165-K168 PolarHBondContact O-N 2.87Å; F165-Y230 HydrophobicContact CE1-CD1 4.18Å; F165-Y230 AromaticContact CE1-CD2 3.61Å; F165-Y230 HydrophobicContact CE1-CD2 3.61Å; F165-Y230 AromaticContact CE1-CE2 3.98Å; F165-Y230 HydrophobicContact CE1-CE2 3.98Å; F165-Y230 AromaticContact CE1-CG 3.71Å; F165-Y230 HydrophobicContact CE1-CG 3.71Å; F165-Y230 HydrophobicContact CE2-CE2 4.47Å; F165-Y230 AromaticContact CZ-CD2 3.59Å; F165-Y230 HydrophobicContact CZ-CD2 3.59Å; F165-Y230 HydrophobicContact CZ-CE1 4.48Å; F165-Y230 AromaticContact CZ-CE2 3.5Å; F165-Y230 HydrophobicContact CZ-CE2 3.5Å; F165-Y230 HydrophobicContact CZ-CG 4.12Å; F165-Y230 AromaticContact CZ-CZ 3.99Å |
| 166 | E | 90.9 | Very high | 95.5 | Very high | 174 Ų | 174 | 42.3 Ų | 42.3 | 81% | 0.813 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -45 | 179 | -57.5 | 177.9 | 159.9 | 0 | 0 | 112 | N164 | N164-E166 PolarHBondContact OD1-N 2.88Š|
| 167 | K | 89.9 | Confident | 95.6 | Very high | 127 Ų | 127 | 40.7 Ų | 40.7 | 55% | 0.552 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.5 | -175.4 | -62.1 | 170.9 | -174.2 | 168.4 | 0 | 113.1 | N164 F165 A169 Y226 | N164-K167 VanDerWaalsContact OD1-CB 3.25Å; N164-K167 WeakPolarHBondContact OD1-CB 3.05Å; N164-K167 WeakPolarHBondContact OD1-CG 3.27Å; N164-K167 PolarHBondContact OD1-N 3.03Å; F165-K167 PolarHBondContact O-N 3.07Å; K167-A169 VanDerWaalsContact C-N 3.28Å; K167-A169 HydrophobicContact CB-CB 4.05Å; K167-A169 PolarHBondContact O-N 3.17Å; K167-Y226 HydrophobicContact CB-CE1 4.28Å |
| 168 | K | 91.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 44.6 Ų | 44.6 | 61% | 0.609 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 54 | -172.2 | -59.1 | -179.3 | -178.4 | -179.9 | 0 | 111.1 | Y163 N164 F165 G227 | Y163-K168 WeakPolarHBondContact OH-CA 3Å; N164-K168 WeakPolarHBondContact O-CA 3.41Å; N164-K168 PolarHBondContact O-N 3.05Å; F165-K168 PolarHBondContact O-N 2.87Å; K168-G227 PolarHBondContact O-N 3.2Å |
| 169 | A | 93.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N164 K167 T224 F225 Y226 | N164-A169 PolarHBondContact N-O 2.83Å; N164-A169 PolarHBondContact O-N 2.96Å; N164-A169 VanDerWaalsContact O-N 3.08Å; K167-A169 VanDerWaalsContact C-N 3.28Å; K167-A169 HydrophobicContact CB-CB 4.05Å; K167-A169 PolarHBondContact O-N 3.17Å; A169-T224 HydrophobicContact CB-CG2 3.79Å; A169-F225 WeakPolarHBondContact CA-O 3.43Å; A169-Y226 HydrophobicContact CB-CD1 3.62Å; A169-Y226 HydrophobicContact CB-CE1 3.85Å; A169-Y226 HydrophobicContact CB-CG 4.28Å |
| 170 | F | 94.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.2 | 173.3 | 178.6 | -136 | 0 | 0 | 0 | 109.9 | L161 E162 Y163 V172 I198 F225 I233 L238 L261 L266 | L161-F170 HydrophobicContact CB-CE2 4.35Å; L161-F170 HydrophobicContact CD2-CE2 4.39Å; L161-F170 HydrophobicContact CD2-CZ 4.05Å; E162-F170 WeakPolarHBondContact O-CD2 3.4Å; Y163-F170 HydrophobicContact CD2-CB 4.13Å; Y163-F170 HydrophobicContact CE2-CB 4.48Å; F170-V172 HydrophobicContact CD1-CG2 4.21Å; F170-V172 HydrophobicContact CE1-CG2 3.67Å; F170-V172 HydrophobicContact CE2-CG2 4.36Å; F170-V172 HydrophobicContact CZ-CG2 3.75Å; F170-I198 HydrophobicContact CD1-CD1 4.47Å; F170-F225 HydrophobicContact CB-CB 4.45Å; F170-F225 HydrophobicContact CD1-CD2 4.36Å; F170-F225 PolarHBondContact N-O 2.84Å; F170-F225 PolarHBondContact O-N 2.76Å; F170-I233 HydrophobicContact CB-CD1 3.79Å; F170-I233 HydrophobicContact CD1-CD1 4.06Å; F170-I233 HydrophobicContact CD2-CD1 3.98Å; F170-I233 HydrophobicContact CG-CD1 3.69Å; F170-L238 HydrophobicContact CE1-CD1 4.37Å; F170-L238 HydrophobicContact CE1-CD2 4.01Å; F170-L238 HydrophobicContact CZ-CD1 4.17Å; F170-L261 HydrophobicContact CE1-CD1 3.66Å; F170-L261 HydrophobicContact CE2-CD1 4.4Å; F170-L261 HydrophobicContact CZ-CD1 3.48Å; F170-L261 VanDerWaalsContact CZ-CD1 3.48Å; F170-L261 HydrophobicContact CZ-CD2 4.47Å; F170-L266 HydrophobicContact CD2-CD1 4.11Å; F170-L266 HydrophobicContact CE2-CD1 3.63Å |
| 171 | V | 95.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.9 | -174.1 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | L161 E162 T222 F223 T224 | L161-V171 WeakPolarHBondContact CA-O 3.47Å; E162-V171 HydrophobicContact CB-CB 4.25Å; E162-V171 PolarHBondContact N-O 2.84Å; E162-V171 PolarHBondContact O-N 2.89Å; V171-T222 HydrophobicContact CG1-CG2 3.49Å; V171-T222 VanDerWaalsContact CG1-CG2 3.49Å; V171-F223 WeakPolarHBondContact CA-O 3.42Å; V171-T224 HydrophobicContact CG2-CG2 4.12Å |
| 172 | V | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 116.7 | 175 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | L161 F170 I174 M196 F223 F225 L238 F240 | L161-V172 HydrophobicContact CD2-CB 4.28Å; L161-V172 HydrophobicContact CD2-CG1 3.92Å; L161-V172 HydrophobicContact CD2-CG2 3.84Å; F170-V172 HydrophobicContact CD1-CG2 4.21Å; F170-V172 HydrophobicContact CE1-CG2 3.67Å; F170-V172 HydrophobicContact CE2-CG2 4.36Å; F170-V172 HydrophobicContact CZ-CG2 3.75Å; V172-I174 HydrophobicContact CG1-CG1 4.45Å; V172-M196 HydrophobicContact CB-CE 4.29Å; V172-M196 HydrophobicContact CB-SD 4.02Å; V172-M196 HydrophobicContact CG1-CE 4.49Å; V172-M196 HydrophobicContact CG1-SD 3.72Å; V172-M196 HydrophobicContact CG2-CE 4Å; V172-M196 HydrophobicContact CG2-SD 4.31Å; V172-F223 PolarHBondContact N-O 3.19Å; V172-F223 PolarHBondContact O-N 3.11Å; V172-F225 HydrophobicContact CB-CE2 4.4Å; V172-F225 HydrophobicContact CG2-CD2 4.49Å; V172-F225 HydrophobicContact CG2-CE2 4.14Å; V172-L238 HydrophobicContact CG1-CD1 4.24Å; V172-L238 HydrophobicContact CG2-CD1 3.92Å; V172-L238 HydrophobicContact CG2-CD2 4.43Å; V172-F240 HydrophobicContact CG1-CE1 4.31Å; V172-F240 HydrophobicContact CG1-CZ 4.1Å |
| 173 | N | 97.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 109.2 | 175.4 | 163.3 | -114.1 | 0 | 0 | 0 | 108.9 | L159 S160 K175 D220 E221 T222 K270 | L159-N173 CarbonylContact C-O 3.54Å; L159-N173 VanDerWaalsContact CA-O 3.31Å; L159-N173 WeakPolarHBondContact CA-O 3.41Å; S160-N173 PolarHBondContact N-O 3.01Å; S160-N173 PolarHBondContact O-N 2.94Å; S160-N173 WeakPolarHBondContact OG-CB 3.37Å; S160-N173 PolarHBondContact OG-OD1 2.86Å; N173-K175 PolarHBondContact O-N 2.92Å; N173-K175 WeakPolarHBondContact OD1-CG 3.49Å; N173-D220 PolarHBondContact ND2-OD1 2.85Å; N173-E221 CarbonylContact C-O 3.53Å; N173-E221 WeakPolarHBondContact CA-O 3.08Å; N173-T222 HydrophobicContact CB-CG2 4.33Å; N173-T222 PolarHBondContact ND2-OG1 2.98Å; N173-T222 VanDerWaalsContact ND2-OG1 3.12Å; N173-K270 PolarHBondContact OD1-NZ 3.4Å |
| 174 | I | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 109.3 | 175.2 | -56.8 | -174.2 | 0 | 0 | 0 | 106.5 | L157 V172 I194 M196 T208 F219 D220 E221 F223 F240 | L157-I174 HydrophobicContact CD1-CG2 4.2Å; V172-I174 HydrophobicContact CG1-CG1 4.45Å; I174-I194 HydrophobicContact CD1-CG2 4.15Å; I174-I194 HydrophobicContact CG2-CD1 3.97Å; I174-M196 HydrophobicContact CD1-CB 4.28Å; I174-T208 HydrophobicContact CB-CG2 4.42Å; I174-T208 HydrophobicContact CD1-CG2 3.95Å; I174-T208 HydrophobicContact CG2-CG2 4.23Å; I174-F219 HydrophobicContact CG2-CB 4.35Å; I174-F219 HydrophobicContact CG2-CD2 3.97Å; I174-F219 HydrophobicContact CG2-CG 4.38Å; I174-D220 WeakPolarHBondContact O-CA 3.16Å; I174-D220 PolarHBondContact O-N 3.42Å; I174-E221 PolarHBondContact N-O 3.33Å; I174-E221 PolarHBondContact O-N 2.88Å; I174-F223 HydrophobicContact CD1-CD2 4.2Å; I174-F223 HydrophobicContact CD1-CE2 3.76Å; I174-F223 HydrophobicContact CG1-CD2 4.29Å; I174-F223 HydrophobicContact CG1-CE2 4.09Å; I174-F240 HydrophobicContact CD1-CD1 3.91Å; I174-F240 HydrophobicContact CD1-CE1 3.69Å; I174-F240 HydrophobicContact CG1-CE1 3.96Å |
| 175 | K | 97.5 | Very high | 93.1 | Very high | 65 Ų | 65 | 57 Ų | 57 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -66.9 | -173.1 | -67.1 | -175.5 | 171.3 | -168.6 | 0 | 110.9 | F158 N173 V218 F219 D220 | F158-K175 HydrophobicContact CB-CB 4.45Å; F158-K175 WeakPolarHBondContact O-CB 3.41Å; F158-K175 PolarHBondContact O-N 3.49Å; N173-K175 PolarHBondContact O-N 2.92Å; N173-K175 WeakPolarHBondContact OD1-CG 3.49Å; K175-V218 CarbonylContact O-C 3.56Å; K175-F219 WeakPolarHBondContact O-CA 3.48Å; K175-F219 PolarHBondContact O-N 3Å; K175-D220 PolarHBondContact O-N 3.19Å |
| 176 | E | 97.9 | Very high | 92.6 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 161.9 | -172.1 | 59.1 | -172.1 | -144.8 | 0 | 0 | 110.8 | F158 Q178 P217 V218 | F158-E176 HydrophobicContact CB-CG 3.84Å; F158-E176 HydrophobicContact CD2-CG 4.06Å; F158-E176 HydrophobicContact CG-CG 4.15Å; F158-E176 PolarHBondContact N-O 3.02Å; F158-E176 PolarHBondContact O-N 3.28Å; E176-Q178 PolarHBondContact OE1-NE2 2.81Å; E176-P217 CarbonylContact C-O 3.52Å; E176-P217 WeakPolarHBondContact CA-O 3.35Å; E176-P217 VanDerWaalsContact CB-O 3.31Å; E176-P217 WeakPolarHBondContact CB-O 3.46Å; E176-V218 HydrophobicContact CB-CB 4.45Å; E176-V218 HydrophobicContact CB-CG2 4.19Å |
| 177 | A | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 152.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | T156 L157 L180 D216 P217 I277 | T156-A177 CarbonylContact O-C 3.6Å; T156-A177 VanDerWaalsContact O-CA 3.23Å; T156-A177 WeakPolarHBondContact O-CA 3.1Å; L157-A177 HydrophobicContact CD1-CB 4.42Å; A177-L180 HydrophobicContact CB-CD1 4.27Å; A177-L180 HydrophobicContact CB-CD2 4Å; A177-L180 HydrophobicContact CB-CG 4.22Å; A177-D216 CarbonylContact O-C 3.12Å; A177-D216 VanDerWaalsContact O-C 3.31Å; A177-D216 VanDerWaalsContact O-CA 3.25Å; A177-D216 WeakPolarHBondContact O-CA 3.21Å; A177-P217 HydrophobicContact CB-CG 3.97Å; A177-P217 PolarHBondContact N-O 2.9Å; A177-P217 VanDerWaalsContact O-CD 3.27Å; A177-P217 WeakPolarHBondContact O-CD 3.38Å; A177-I277 HydrophobicContact CB-CD1 4.43Å |
| 178 | Q | 96.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.6 | 178.9 | -62 | 179.7 | -0.6 | 0 | 0 | 110.5 | G155 T156 F158 E176 D216 | G155-Q178 CarbonylContact C-O 3.57Å; G155-Q178 WeakPolarHBondContact CA-O 3.37Å; T156-Q178 PolarHBondContact N-O 2.86Å; T156-Q178 PolarHBondContact O-N 3.25Å; F158-Q178 HydrophobicContact CD2-CG 4.16Å; F158-Q178 HydrophobicContact CE2-CB 4.04Å; F158-Q178 VanDerWaalsContact CE2-CD 3.46Å; F158-Q178 HydrophobicContact CE2-CG 3.68Å; E176-Q178 PolarHBondContact OE1-NE2 2.81Å; Q178-D216 WeakPolarHBondContact CA-OD1 3.36Å |
| 179 | G | 94.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 65.9 | 36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G155 L215 D216 | G155-G179 WeakPolarHBondContact CA-O 3.28Å; G155-G179 PolarHBondContact N-O 2.82Å; G179-L215 PolarHBondContact N-O 2.85Å; G179-D216 PolarHBondContact N-OD1 2.9Å |
| 180 | L | 96 | Very high | 92.2 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 147.3 | 173.2 | -59.2 | -178.3 | 0 | 0 | 0 | 110.7 | A177 P192 L215 P217 V242 I254 I277 | A177-L180 HydrophobicContact CB-CD1 4.27Å; A177-L180 HydrophobicContact CB-CD2 4Å; A177-L180 HydrophobicContact CB-CG 4.22Å; L180-P192 HydrophobicContact CD1-CB 3.63Å; L180-P192 HydrophobicContact CD1-CG 4.11Å; L180-L215 HydrophobicContact CB-CB 4.5Å; L180-L215 VanDerWaalsContact CB-O 3.3Å; L180-L215 WeakPolarHBondContact CB-O 3.27Å; L180-L215 WeakPolarHBondContact CG-O 3.38Å; L180-L215 PolarHBondContact N-O 2.9Å; L180-L215 WeakPolarHBondContact O-CB 3.44Å; L180-L215 WeakPolarHBondContact O-CD2 3.32Å; L180-P217 HydrophobicContact CD1-CG 3.69Å; L180-V242 HydrophobicContact CD1-CG1 4.32Å; L180-V242 HydrophobicContact CD2-CG1 4.21Å; L180-I254 HydrophobicContact CD1-CD1 4.28Å; L180-I254 HydrophobicContact CD2-CG2 4.3Å; L180-I277 HydrophobicContact CD2-CD1 3.37Å |
| 181 | P | 93.2 | Very high | 92.2 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 149.5 | 170.2 | 30.7 | -37.3 | 0 | 0 | 0 | 111.5 | L154 M183 S190 I254 | L154-P181 HydrophobicContact CD2-CG 3.95Å; P181-M183 HydrophobicContact CB-CE 3.85Å; P181-M183 HydrophobicContact CG-CE 3.46Å; P181-M183 VanDerWaalsContact CG-CE 3.46Å; P181-S190 PolarHBondContact O-OG 3Å; P181-I254 HydrophobicContact CG-CG2 3.72Å |
| 182 | A | 92.5 | Very high | 92.3 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -71 | 130.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | M188 L215 | A182-M188 VanDerWaalsContact CB-C 3.45Å; A182-M188 WeakPolarHBondContact CB-O 3.42Å; A182-L215 HydrophobicContact CB-CD2 4.3Å |
| 183 | M | 87.5 | Confident | 92.4 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 31% | 0.31 | 27% | 0.266 | S | S | . | . | trans | -107.2 | -26 | 177 | -67.6 | -72.6 | 134 | 0 | 0 | 111.9 | P181 T189 S190 D252 I254 | P181-M183 HydrophobicContact CB-CE 3.85Å; P181-M183 HydrophobicContact CG-CE 3.46Å; P181-M183 VanDerWaalsContact CG-CE 3.46Å; M183-T189 PolarHBondContact N-O 3.26Å; M183-S190 PolarHBondContact N-OG 2.85Å; M183-D252 HydrophobicContact CB-CB 4.34Å; M183-D252 HydrophobicContact CG-CB 4.22Å; M183-D252 HydrophobicContact SD-CB 4.03Å; M183-I254 HydrophobicContact CE-CG1 4.23Å; M183-I254 HydrophobicContact CG-CD1 4.31Å; M183-I254 HydrophobicContact CG-CG1 3.77Å; M183-I254 HydrophobicContact SD-CG1 4.34Å | ||
| 184 | D | 82.6 | Confident | 92.4 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | 105 | 172.4 | 172 | 14.7 | 0 | 0 | 0 | 110.2 | Q186 S187 M188 T189 | D184-Q186 PolarHBondContact O-N 2.91Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.4Å; D184-Q186 PolarHBondContact OD1-N 3.18Å; D184-S187 PolarHBondContact O-N 2.88Å; D184-S187 PolarHBondContact OD1-N 2.93Å; D184-S187 WeakPolarHBondContact OD2-CB 3.3Å; D184-S187 PolarHBondContact OD2-N 2.86Å; D184-S187 PolarHBondContact OD2-OG 2.8Å; D184-M188 WeakPolarHBondContact O-CA 3.16Å; D184-M188 PolarHBondContact O-N 2.82Å; D184-T189 PolarHBondContact N-O 3.35Å |
| 185 | E | 78.7 | Confident | 92.2 | Very high | 178 Ų | 178 | 52.9 Ų | 52.9 | 83% | 0.832 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.9 | 177.4 | -62 | -177.1 | 170.4 | 0 | 0 | 113.3 | ||
| 186 | Q | 81.3 | Confident | 92 | Very high | 187 Ų | 187 | 49.9 Ų | 49.9 | 87% | 0.874 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -36.3 | -175.5 | -56.6 | 178.8 | 12 | 0 | 0 | 112.1 | D184 | D184-Q186 PolarHBondContact O-N 2.91Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.4Å; D184-Q186 PolarHBondContact OD1-N 3.18Å |
| 187 | S | 81.9 | Confident | 91.5 | Very high | 34 Ų | 34 | 49 Ų | 49 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -11.9 | 178 | 69.8 | 0 | 0 | 0 | 0 | 114.2 | D184 T189 | D184-S187 PolarHBondContact O-N 2.88Å; D184-S187 PolarHBondContact OD1-N 2.93Å; D184-S187 WeakPolarHBondContact OD2-CB 3.3Å; D184-S187 PolarHBondContact OD2-N 2.86Å; D184-S187 PolarHBondContact OD2-OG 2.8Å; S187-T189 PolarHBondContact O-N 3.28Å; S187-T189 PolarHBondContact OG-N 2.74Å; S187-T189 PolarHBondContact OG-OG1 2.92Å |
| 188 | M | 88.8 | Confident | 91 | Very high | 135 Ų | 135 | 49.3 Ų | 49.3 | 67% | 0.665 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 32.8 | -169.6 | -65 | -65 | -64.8 | 0 | 0 | 112.5 | A182 D184 | A182-M188 VanDerWaalsContact CB-C 3.45Å; A182-M188 WeakPolarHBondContact CB-O 3.42Å; D184-M188 WeakPolarHBondContact O-CA 3.16Å; D184-M188 PolarHBondContact O-N 2.82Å |
| 189 | T | 91.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 17% | 0.172 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -134.1 | -175.6 | 177.4 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | M183 D184 S187 K213 | M183-T189 PolarHBondContact N-O 3.26Å; D184-T189 PolarHBondContact N-O 3.35Å; S187-T189 PolarHBondContact O-N 3.28Å; S187-T189 PolarHBondContact OG-N 2.74Å; S187-T189 PolarHBondContact OG-OG1 2.92Å; T189-K213 HydrophobicContact CG2-CB 4.37Å; T189-K213 WeakPolarHBondContact OG1-CA 3.47Å |
| 190 | S | 93.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | trans | -132.2 | 160.9 | 171.1 | -71.7 | 0 | 0 | 0 | 0 | 109.3 | P181 M183 P192 K213 T214 | P181-S190 PolarHBondContact O-OG 3Å; M183-S190 PolarHBondContact N-OG 2.85Å; S190-P192 WeakPolarHBondContact O-CD 3.44Å; S190-K213 CarbonylContact O-C 3.57Å; S190-K213 VanDerWaalsContact O-CA 3.3Å; S190-K213 WeakPolarHBondContact O-CA 3.41Å; S190-K213 PolarHBondContact O-N 3.48Å; S190-K213 VanDerWaalsContact O-N 3.15Å; S190-T214 PolarHBondContact O-N 3.38Å | ||
| 191 | D | 96.1 | Very high | 87 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | trans | -108.8 | 68 | 171 | -76.4 | -17.7 | 0 | 0 | 0 | 109.5 | V210 L211 R212 K213 S244 F245 | D191-V210 HydrophobicContact CB-CG1 4.08Å; D191-L211 CarbonylContact C-O 3.56Å; D191-L211 WeakPolarHBondContact CA-O 3.45Å; D191-R212 WeakPolarHBondContact OD1-CA 3.47Å; D191-R212 VanDerWaalsContact OD1-CD 3.31Å; D191-R212 WeakPolarHBondContact OD1-CD 3.5Å; D191-R212 WeakPolarHBondContact OD2-CD 3.3Å; D191-R212 IonicContact OD2-CZ 3.21Å; D191-R212 IonicContact OD2-NE 3.61Å; D191-R212 IonicContact OD2-NH1 3.47Å; D191-R212 PolarHBondContact OD2-NH1 2.78Å; D191-K213 PolarHBondContact OD1-N 2.76Å; D191-S244 PolarHBondContact N-OG 2.8Å; D191-F245 HydrophobicContact CB-CB 4.07Å; D191-F245 PolarHBondContact O-N 3.46Å | ||
| 192 | P | 97.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 143.7 | -164.2 | 29.4 | -39.5 | 0 | 0 | 0 | 114.6 | L180 S190 L211 T214 P217 F219 L243 | L180-P192 HydrophobicContact CD1-CB 3.63Å; L180-P192 HydrophobicContact CD1-CG 4.11Å; S190-P192 WeakPolarHBondContact O-CD 3.44Å; P192-L211 VanDerWaalsContact CD-O 3.28Å; P192-L211 WeakPolarHBondContact CD-O 3.24Å; P192-L211 PolarHBondContact O-N 3.27Å; P192-T214 VanDerWaalsContact CD-O 3.25Å; P192-T214 WeakPolarHBondContact CD-O 3.46Å; P192-T214 HydrophobicContact CG-CG2 3.77Å; P192-T214 WeakPolarHBondContact CG-O 3.49Å; P192-P217 HydrophobicContact CB-CB 4.34Å; P192-P217 HydrophobicContact CB-CG 3.95Å; P192-P217 HydrophobicContact CG-CB 3.6Å; P192-P217 HydrophobicContact CG-CG 3.58Å; P192-F219 HydrophobicContact CB-CZ 4.44Å; P192-L243 CarbonylContact C-O 3.48Å; P192-L243 VanDerWaalsContact CA-O 3.25Å; P192-L243 WeakPolarHBondContact CA-O 3.49Å |
| 193 | Y | 98 | Very high | 84.3 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 160.4 | 164.7 | 79.4 | -83.2 | 0 | 0 | 0 | 111.6 | K195 K207 R209 V210 L243 F245 D251 | Y193-K195 HydrophobicContact CD2-CG 4.46Å; Y193-K195 HydrophobicContact CE2-CD 4.31Å; Y193-K195 VanDerWaalsContact CE2-CE 3.49Å; Y193-K195 HydrophobicContact CE2-CG 3.77Å; Y193-K195 WeakPolarHBondContact OH-CE 3.41Å; Y193-K195 PolarHBondContact OH-NZ 3.13Å; Y193-K207 HydrophobicContact CE2-CD 4.17Å; Y193-R209 WeakPolarHBondContact CB-O 3.44Å; Y193-V210 HydrophobicContact CD1-CG2 3.94Å; Y193-V210 HydrophobicContact CG-CG2 4.04Å; Y193-L243 HydrophobicContact CD1-CB 4.22Å; Y193-L243 HydrophobicContact CE1-CB 3.84Å; Y193-L243 HydrophobicContact CE2-CD1 4.29Å; Y193-L243 PolarHBondContact N-O 3.07Å; Y193-L243 PolarHBondContact O-N 3.29Å; Y193-F245 HydrophobicContact CD1-CB 4.09Å; Y193-F245 HydrophobicContact CE1-CB 4.13Å; Y193-D251 HydrophobicContact CE1-CB 4.43Å; Y193-D251 PolarHBondContact OH-OD2 3.48Å |
| 194 | I | 97.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.4 | -174.4 | -59.4 | -176.7 | 0 | 0 | 0 | 110.4 | L157 I174 K207 T208 F219 F240 T241 V242 | L157-I194 HydrophobicContact CD1-CD1 3.4Å; L157-I194 VanDerWaalsContact CD1-CD1 3.4Å; L157-I194 HydrophobicContact CD2-CD1 4.47Å; I174-I194 HydrophobicContact CD1-CG2 4.15Å; I174-I194 HydrophobicContact CG2-CD1 3.97Å; I194-K207 CarbonylContact O-C 3.55Å; I194-K207 VanDerWaalsContact O-CA 3.28Å; I194-K207 WeakPolarHBondContact O-CA 3.21Å; I194-T208 HydrophobicContact CB-CG2 4.06Å; I194-T208 PolarHBondContact N-OG1 3.09Å; I194-T208 PolarHBondContact O-N 3.08Å; I194-F219 HydrophobicContact CD1-CD2 4.08Å; I194-F219 HydrophobicContact CD1-CE2 3.49Å; I194-F219 VanDerWaalsContact CD1-CE2 3.49Å; I194-F219 HydrophobicContact CD1-CZ 4.04Å; I194-F219 HydrophobicContact CG1-CE2 3.89Å; I194-F219 HydrophobicContact CG1-CZ 3.88Å; I194-F240 HydrophobicContact CG2-CB 3.93Å; I194-F240 HydrophobicContact CG2-CD1 3.87Å; I194-F240 HydrophobicContact CG2-CG 4.4Å; I194-T241 WeakPolarHBondContact CA-O 3.3Å; I194-V242 HydrophobicContact CD1-CG2 4.27Å; I194-V242 HydrophobicContact CG1-CG1 4.31Å; I194-V242 HydrophobicContact CG1-CG2 4.2Å |
| 195 | K | 94.8 | Very high | 84 | Confident | 58 Ų | 58 | 66.7 Ų | 66.7 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.4 | 166 | -62.8 | 174.3 | -175.3 | 155.1 | 0 | 107.9 | Y193 K207 F240 T241 L243 D251 | Y193-K195 HydrophobicContact CD2-CG 4.46Å; Y193-K195 HydrophobicContact CE2-CD 4.31Å; Y193-K195 VanDerWaalsContact CE2-CE 3.49Å; Y193-K195 HydrophobicContact CE2-CG 3.77Å; Y193-K195 WeakPolarHBondContact OH-CE 3.41Å; Y193-K195 PolarHBondContact OH-NZ 3.13Å; K195-K207 HydrophobicContact CG-CD 4.29Å; K195-K207 HydrophobicContact CG-CG 4.11Å; K195-F240 CarbonylContact O-C 3.52Å; K195-F240 WeakPolarHBondContact O-CA 3.48Å; K195-T241 PolarHBondContact N-O 2.92Å; K195-T241 PolarHBondContact O-N 3.44Å; K195-L243 HydrophobicContact CB-CD1 4.31Å; K195-L243 HydrophobicContact CD-CD1 3.59Å; K195-L243 HydrophobicContact CD-CD2 4.48Å; K195-L243 HydrophobicContact CG-CD1 3.71Å; K195-D251 IonicContact NZ-OD2 3.91Å |
| 196 | M | 93.8 | Very high | 84.7 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.1 | 174.2 | 179.6 | -164.2 | 129.7 | 0 | 0 | 110.4 | V172 I174 I198 K205 V206 F225 L238 H239 F240 | V172-M196 HydrophobicContact CB-CE 4.29Å; V172-M196 HydrophobicContact CB-SD 4.02Å; V172-M196 HydrophobicContact CG1-CE 4.49Å; V172-M196 HydrophobicContact CG1-SD 3.72Å; V172-M196 HydrophobicContact CG2-CE 4Å; V172-M196 HydrophobicContact CG2-SD 4.31Å; I174-M196 HydrophobicContact CD1-CB 4.28Å; M196-I198 HydrophobicContact CE-CD1 4.25Å; M196-I198 HydrophobicContact CE-CG1 3.82Å; M196-K205 WeakPolarHBondContact O-CA 3.36Å; M196-V206 HydrophobicContact CB-CG2 3.79Å; M196-V206 HydrophobicContact CG-CG2 4.35Å; M196-V206 PolarHBondContact N-O 3.03Å; M196-V206 PolarHBondContact O-N 3.18Å; M196-V206 HydrophobicContact SD-CG2 4.15Å; M196-F225 HydrophobicContact CE-CD2 4.39Å; M196-F225 HydrophobicContact CE-CE1 4.32Å; M196-F225 HydrophobicContact CE-CE2 3.36Å; M196-F225 HydrophobicContact CE-CZ 3.32Å; M196-F225 HydrophobicContact SD-CE2 4.48Å; M196-F225 HydrophobicContact SD-CZ 4.42Å; M196-L238 HydrophobicContact CE-CD2 3.72Å; M196-H239 CarbonylContact C-O 3.48Å; M196-H239 WeakPolarHBondContact CA-O 3.48Å; M196-F240 HydrophobicContact CB-CD1 3.79Å; M196-F240 HydrophobicContact CB-CE1 3.93Å; M196-F240 HydrophobicContact CG-CD1 3.76Å; M196-F240 HydrophobicContact CG-CE1 3.49Å; M196-F240 VanDerWaalsContact CG-CE1 3.49Å; M196-F240 HydrophobicContact CG-CZ 4.16Å; M196-F240 HydrophobicContact SD-CD1 4.5Å; M196-F240 HydrophobicContact SD-CE1 3.68Å; M196-F240 HydrophobicContact SD-CZ 4.18Å |
| 197 | M | 87.3 | Confident | 85.3 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.9 | 174 | -57.5 | -174.4 | -72.8 | 0 | 0 | 111.3 | H204 K205 H239 | M197-H204 WeakPolarHBondContact CA-O 3.44Å; M197-K205 HydrophobicContact CG-CB 4.3Å; M197-K205 HydrophobicContact CG-CD 4.47Å; M197-K205 HydrophobicContact CG-CG 3.94Å; M197-K205 HydrophobicContact SD-CD 4.15Å; M197-K205 HydrophobicContact SD-CG 4.21Å; M197-H239 VanDerWaalsContact CE-ND1 3.26Å; M197-H239 WeakPolarHBondContact CE-ND1 3.45Å; M197-H239 PolarHBondContact N-O 3.03Å; M197-H239 PolarHBondContact O-N 3.42Å |
| 198 | I | 86.8 | Confident | 86.1 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.6 | 169.7 | -54 | -176.3 | 0 | 0 | 0 | 109.3 | F170 M196 K202 H204 F225 I228 L236 L238 | F170-I198 HydrophobicContact CD1-CD1 4.47Å; M196-I198 HydrophobicContact CE-CD1 4.25Å; M196-I198 HydrophobicContact CE-CG1 3.82Å; I198-K202 WeakPolarHBondContact O-CA 3.45Å; I198-K202 PolarHBondContact O-N 3.11Å; I198-H204 HydrophobicContact CB-CB 4.18Å; I198-H204 HydrophobicContact CD1-CB 3.99Å; I198-H204 HydrophobicContact CG1-CB 4.06Å; I198-H204 PolarHBondContact N-O 3.21Å; I198-H204 VanDerWaalsContact N-O 3.11Å; I198-F225 HydrophobicContact CD1-CB 4.25Å; I198-F225 HydrophobicContact CD1-CD1 3.69Å; I198-F225 HydrophobicContact CD1-CD2 3.85Å; I198-F225 HydrophobicContact CD1-CE1 4Å; I198-F225 HydrophobicContact CD1-CE2 4.15Å; I198-F225 HydrophobicContact CD1-CG 3.62Å; I198-F225 HydrophobicContact CD1-CZ 4.23Å; I198-I228 HydrophobicContact CD1-CD1 4.01Å; I198-L236 HydrophobicContact CG2-CB 4.26Å; I198-L236 HydrophobicContact CG2-CD1 3.92Å; I198-L236 HydrophobicContact CG2-CD2 4.02Å; I198-L236 HydrophobicContact CG2-CG 4.28Å; I198-L238 HydrophobicContact CG1-CD2 3.94Å |
| 199 | L | 77.7 | Confident | 86.4 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 149.6 | 175.2 | -54.7 | -174.6 | 0 | 0 | 0 | 109.9 | K202 L236 S237 H239 L258 | L199-K202 HydrophobicContact CD2-CD 4.08Å; L199-K202 HydrophobicContact CD2-CG 3.49Å; L199-K202 VanDerWaalsContact CD2-CG 3.49Å; L199-L236 WeakPolarHBondContact O-CA 3.34Å; L199-L236 VanDerWaalsContact O-CD2 3.29Å; L199-L236 WeakPolarHBondContact O-CD2 3.22Å; L199-S237 WeakPolarHBondContact CB-O 3.15Å; L199-S237 PolarHBondContact N-O 3.21Å; L199-S237 PolarHBondContact O-N 2.97Å; L199-S237 VanDerWaalsContact O-N 3.09Å; L199-H239 HydrophobicContact CD1-CB 4.02Å; L199-H239 HydrophobicContact CG-CB 4.21Å; L199-L258 HydrophobicContact CD1-CD1 3.86Å |
| 200 | P | 64 | Low | 86.7 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 60% | 0.604 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.1 | -22.4 | 7.9 | 32.2 | -35.3 | 0 | 0 | 0 | 114.8 | K202 | P200-K202 VanDerWaalsContact C-N 3.31Å; P200-K202 PolarHBondContact O-N 3.26Å |
| 201 | E | 62.2 | Low | 86.9 | Confident | 117 Ų | 117 | 57.9 Ų | 57.9 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -22.8 | -164.6 | -64.6 | -161.3 | -169.8 | 0 | 0 | 115.3 | K203 | E201-K203 HydrophobicContact CB-CD 4.38Å; E201-K203 HydrophobicContact CB-CG 4.32Å; E201-K203 PolarHBondContact O-N 3.29Å; E201-K203 WeakPolarHBondContact OE2-CD 3.19Å; E201-K203 WeakPolarHBondContact OE2-CE 3.48Å; E201-K203 IonicContact OE2-NZ 3.79Å; E201-K203 PolarHBondContact OE2-NZ 3.09Å |
| 202 | K | 62.6 | Low | 86.8 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 47% | 0.465 | 29% | 0.289 | S | S | . | . | trans | 55.7 | 9.2 | 177.9 | -68 | 174 | -176.1 | 176.2 | 0 | 115.6 | I198 L199 P200 K205 | I198-K202 WeakPolarHBondContact O-CA 3.45Å; I198-K202 PolarHBondContact O-N 3.11Å; L199-K202 HydrophobicContact CD2-CD 4.08Å; L199-K202 HydrophobicContact CD2-CG 3.49Å; L199-K202 VanDerWaalsContact CD2-CG 3.49Å; P200-K202 VanDerWaalsContact C-N 3.31Å; P200-K202 PolarHBondContact O-N 3.26Å; K202-K205 WeakPolarHBondContact O-CE 3.29Å | ||
| 203 | K | 67.5 | Low | 86.7 | Confident | 151 Ų | 151 | 70 Ų | 70 | 66% | 0.657 | 32% | 0.319 | S | S | * | . | trans | -70.6 | -47.9 | 174.6 | -64.6 | 173.2 | -171 | 160.4 | 0 | 111.1 | E201 K205 | E201-K203 HydrophobicContact CB-CD 4.38Å; E201-K203 HydrophobicContact CB-CG 4.32Å; E201-K203 PolarHBondContact O-N 3.29Å; E201-K203 WeakPolarHBondContact OE2-CD 3.19Å; E201-K203 WeakPolarHBondContact OE2-CE 3.48Å; E201-K203 IonicContact OE2-NZ 3.79Å; E201-K203 PolarHBondContact OE2-NZ 3.09Å; K203-K205 PolarHBondContact O-N 2.9Å | ||
| 204 | H | 77.2 | Confident | 86.6 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 32% | 0.324 | 33% | 0.327 | S | S | . | . | trans | -79 | 103.7 | 179 | -54.6 | -66.3 | 0 | 0 | 0 | 109.7 | M197 I198 F225 | M197-H204 WeakPolarHBondContact CA-O 3.44Å; I198-H204 HydrophobicContact CB-CB 4.18Å; I198-H204 HydrophobicContact CD1-CB 3.99Å; I198-H204 HydrophobicContact CG1-CB 4.06Å; I198-H204 PolarHBondContact N-O 3.21Å; I198-H204 VanDerWaalsContact N-O 3.11Å; H204-F225 HydrophobicContact CB-CD1 3.9Å; H204-F225 HydrophobicContact CB-CE1 3.9Å | ||
| 205 | K | 86 | Confident | 86.5 | Confident | 125 Ų | 125 | 73.3 Ų | 73.3 | 54% | 0.543 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.4 | 172.4 | -50.6 | -176.5 | -168.9 | 156.5 | 0 | 108.6 | M196 M197 K202 K203 | M196-K205 WeakPolarHBondContact O-CA 3.36Å; M197-K205 HydrophobicContact CG-CB 4.3Å; M197-K205 HydrophobicContact CG-CD 4.47Å; M197-K205 HydrophobicContact CG-CG 3.94Å; M197-K205 HydrophobicContact SD-CD 4.15Å; M197-K205 HydrophobicContact SD-CG 4.21Å; K202-K205 WeakPolarHBondContact O-CE 3.29Å; K203-K205 PolarHBondContact O-N 2.9Å |
| 206 | V | 92.3 | Very high | 86.6 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 162.3 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | L57 M196 F223 F225 | L57-V206 HydrophobicContact CD1-CG1 4.16Å; M196-V206 HydrophobicContact CB-CG2 3.79Å; M196-V206 HydrophobicContact CG-CG2 4.35Å; M196-V206 PolarHBondContact N-O 3.03Å; M196-V206 PolarHBondContact O-N 3.18Å; M196-V206 HydrophobicContact SD-CG2 4.15Å; V206-F223 HydrophobicContact CB-CD1 3.58Å; V206-F223 HydrophobicContact CB-CE1 3.74Å; V206-F223 HydrophobicContact CB-CG 4.14Å; V206-F223 HydrophobicContact CB-CZ 4.42Å; V206-F223 HydrophobicContact CG1-CD1 3.85Å; V206-F223 HydrophobicContact CG1-CE1 4.42Å; V206-F223 HydrophobicContact CG1-CG 4.42Å; V206-F223 HydrophobicContact CG2-CB 4.17Å; V206-F223 HydrophobicContact CG2-CD1 3.57Å; V206-F223 HydrophobicContact CG2-CD2 3.91Å; V206-F223 HydrophobicContact CG2-CE1 3.89Å; V206-F223 HydrophobicContact CG2-CE2 4.21Å; V206-F223 HydrophobicContact CG2-CG 3.59Å; V206-F223 HydrophobicContact CG2-CZ 4.2Å; V206-F225 HydrophobicContact CG1-CE1 4.03Å; V206-F225 HydrophobicContact CG1-CZ 4.07Å; V206-F225 HydrophobicContact CG2-CZ 4.11Å |
| 207 | K | 94.8 | Very high | 86.8 | Confident | 131 Ų | 131 | 74.9 Ų | 74.9 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.7 | 177 | -56.1 | -175 | -179.3 | 175.2 | 0 | 108.7 | Y193 I194 K195 | Y193-K207 HydrophobicContact CE2-CD 4.17Å; I194-K207 CarbonylContact O-C 3.55Å; I194-K207 VanDerWaalsContact O-CA 3.28Å; I194-K207 WeakPolarHBondContact O-CA 3.21Å; K195-K207 HydrophobicContact CG-CD 4.29Å; K195-K207 HydrophobicContact CG-CG 4.11Å |
| 208 | T | 97.8 | Very high | 87.3 | Confident | 9 Ų | 9 | 77 Ų | 77 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 168.4 | 165.2 | 66 | 0 | 0 | 0 | 0 | 110.8 | I174 I194 F219 E221 F223 | I174-T208 HydrophobicContact CB-CG2 4.42Å; I174-T208 HydrophobicContact CD1-CG2 3.95Å; I174-T208 HydrophobicContact CG2-CG2 4.23Å; I194-T208 HydrophobicContact CB-CG2 4.06Å; I194-T208 PolarHBondContact N-OG1 3.09Å; I194-T208 PolarHBondContact O-N 3.08Å; T208-F219 HydrophobicContact CG2-CB 4.28Å; T208-F219 HydrophobicContact CG2-CD1 3.97Å; T208-F219 HydrophobicContact CG2-CG 4.07Å; T208-F219 WeakPolarHBondContact OG1-CD1 3.47Å; T208-F219 WeakPolarHBondContact OG1-CE1 3.23Å; T208-E221 VanDerWaalsContact CA-OE2 3.25Å; T208-E221 WeakPolarHBondContact CA-OE2 3.37Å; T208-E221 WeakPolarHBondContact CB-OE1 3.44Å; T208-E221 HydrophobicContact CG2-CB 4.49Å; T208-F223 HydrophobicContact CG2-CE2 4.25Å; T208-F223 HydrophobicContact CG2-CZ 4.27Å |
| 209 | R | 96.6 | Very high | 87.8 | Confident | 138 Ų | 138 | 76.8 Ų | 76.8 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 156.5 | 160.8 | 73.3 | -147.2 | 161.6 | 131.1 | -3.9 | 111.1 | Y193 L211 V218 F219 E221 | Y193-R209 WeakPolarHBondContact CB-O 3.44Å; R209-L211 HydrophobicContact CG-CD2 3.95Å; R209-L211 HydrophobicContact CG-CG 4.4Å; R209-V218 PolarHBondContact NH2-O 3.05Å; R209-F219 PolarHBondContact NH2-O 3.49Å; R209-E221 WeakPolarHBondContact CD-OE1 3.44Å; R209-E221 WeakPolarHBondContact CG-OE1 3.17Å; R209-E221 PolarHBondContact N-OE1 2.98Å; R209-E221 PolarHBondContact N-OE2 2.88Å; R209-E221 IonicContact NE-OE1 3.66Å; R209-E221 PolarHBondContact NE-OE1 2.79Å |
| 210 | V | 97.3 | Very high | 88.8 | Confident | 49 Ų | 49 | 79.7 Ų | 79.7 | 30% | 0.297 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -80 | 121.7 | 168 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | D191 Y193 F245 | D191-V210 HydrophobicContact CB-CG1 4.08Å; Y193-V210 HydrophobicContact CD1-CG2 3.94Å; Y193-V210 HydrophobicContact CG-CG2 4.04Å; V210-F245 HydrophobicContact CG1-CB 3.68Å; V210-F245 HydrophobicContact CG1-CG 4.12Å; V210-F245 HydrophobicContact CG2-CB 4.02Å; V210-F245 HydrophobicContact CG2-CD2 4.12Å; V210-F245 HydrophobicContact CG2-CG 4.17Å |
| 211 | L | 96.8 | Very high | 90.4 | Very high | 34 Ų | 34 | 76.3 Ų | 76.3 | 18% | 0.178 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -95 | 139.8 | 167 | -61.9 | -179.5 | 0 | 0 | 0 | 108.1 | D191 P192 R209 T214 P217 V218 F219 | D191-L211 CarbonylContact C-O 3.56Å; D191-L211 WeakPolarHBondContact CA-O 3.45Å; P192-L211 VanDerWaalsContact CD-O 3.28Å; P192-L211 WeakPolarHBondContact CD-O 3.24Å; P192-L211 PolarHBondContact O-N 3.27Å; R209-L211 HydrophobicContact CG-CD2 3.95Å; R209-L211 HydrophobicContact CG-CG 4.4Å; L211-T214 HydrophobicContact CB-CG2 3.92Å; L211-P217 HydrophobicContact CB-CB 4.38Å; L211-P217 HydrophobicContact CD1-CB 3.7Å; L211-V218 WeakPolarHBondContact CD1-O 3.41Å; L211-F219 HydrophobicContact CD1-CD1 3.93Å; L211-F219 HydrophobicContact CD1-CE1 4.11Å; L211-F219 HydrophobicContact CG-CD1 4.27Å; L211-F219 HydrophobicContact CG-CE1 4.26Å |
| 212 | R | 95.1 | Very high | 92 | Very high | 137 Ų | 137 | 72.5 Ų | 72.5 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -99.6 | 140.9 | -173 | -65.6 | -67.3 | -177.7 | 162.8 | -9.1 | 111.4 | D191 T214 F245 | D191-R212 WeakPolarHBondContact OD1-CA 3.47Å; D191-R212 VanDerWaalsContact OD1-CD 3.31Å; D191-R212 WeakPolarHBondContact OD1-CD 3.5Å; D191-R212 WeakPolarHBondContact OD2-CD 3.3Å; D191-R212 IonicContact OD2-CZ 3.21Å; D191-R212 IonicContact OD2-NE 3.61Å; D191-R212 IonicContact OD2-NH1 3.47Å; D191-R212 PolarHBondContact OD2-NH1 2.78Å; R212-T214 PolarHBondContact O-N 3.18Å; R212-F245 VanDerWaalsContact NH1-CD1 3.3Å |
| 213 | K | 94.3 | Very high | 93.6 | Very high | 146 Ų | 146 | 67.6 Ų | 67.6 | 64% | 0.635 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 49 | 54.3 | 171.6 | -56.6 | -167.9 | 174.9 | -163.6 | 0 | 113.7 | T189 S190 D191 | T189-K213 HydrophobicContact CG2-CB 4.37Å; T189-K213 WeakPolarHBondContact OG1-CA 3.47Å; S190-K213 CarbonylContact O-C 3.57Å; S190-K213 VanDerWaalsContact O-CA 3.3Å; S190-K213 WeakPolarHBondContact O-CA 3.41Å; S190-K213 PolarHBondContact O-N 3.48Å; S190-K213 VanDerWaalsContact O-N 3.15Å; D191-K213 PolarHBondContact OD1-N 2.76Å |
| 214 | T | 96.4 | Very high | 94.9 | Very high | 35 Ų | 35 | 61 Ų | 61 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | trans | -143.9 | 143 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | S190 P192 L211 R212 D216 P217 | S190-T214 PolarHBondContact O-N 3.38Å; P192-T214 VanDerWaalsContact CD-O 3.25Å; P192-T214 WeakPolarHBondContact CD-O 3.46Å; P192-T214 HydrophobicContact CG-CG2 3.77Å; P192-T214 WeakPolarHBondContact CG-O 3.49Å; L211-T214 HydrophobicContact CB-CG2 3.92Å; R212-T214 PolarHBondContact O-N 3.18Å; T214-D216 PolarHBondContact OG1-N 3.1Å; T214-D216 VanDerWaalsContact OG1-N 3.12Å; T214-D216 PolarHBondContact OG1-O 2.94Å; T214-P217 HydrophobicContact CG2-CB 3.94Å | ||
| 215 | L | 96.3 | Very high | 95.7 | Very high | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -102.5 | -10.1 | 172 | -56.9 | -174.9 | 0 | 0 | 0 | 112.1 | G179 L180 A182 P217 | G179-L215 PolarHBondContact N-O 2.85Å; L180-L215 HydrophobicContact CB-CB 4.5Å; L180-L215 VanDerWaalsContact CB-O 3.3Å; L180-L215 WeakPolarHBondContact CB-O 3.27Å; L180-L215 WeakPolarHBondContact CG-O 3.38Å; L180-L215 PolarHBondContact N-O 2.9Å; L180-L215 WeakPolarHBondContact O-CB 3.44Å; L180-L215 WeakPolarHBondContact O-CD2 3.32Å; A182-L215 HydrophobicContact CB-CD2 4.3Å; L215-P217 WeakPolarHBondContact O-CD 3.44Å |
| 216 | D | 97 | Very high | 96 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -125.7 | 66 | 179 | -57 | -74.4 | 0 | 0 | 0 | 109.9 | A177 Q178 G179 T214 V218 | A177-D216 CarbonylContact O-C 3.12Å; A177-D216 VanDerWaalsContact O-C 3.31Å; A177-D216 VanDerWaalsContact O-CA 3.25Å; A177-D216 WeakPolarHBondContact O-CA 3.21Å; Q178-D216 WeakPolarHBondContact CA-OD1 3.36Å; G179-D216 PolarHBondContact N-OD1 2.9Å; T214-D216 PolarHBondContact OG1-N 3.1Å; T214-D216 VanDerWaalsContact OG1-N 3.12Å; T214-D216 PolarHBondContact OG1-O 2.94Å; D216-V218 PolarHBondContact O-N 2.82Å |
| 217 | P | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | trans | -71.3 | 123.3 | -175.7 | 27.1 | -36.1 | 0 | 0 | 0 | 113.5 | E176 A177 L180 P192 L211 T214 L215 F219 | E176-P217 CarbonylContact C-O 3.52Å; E176-P217 WeakPolarHBondContact CA-O 3.35Å; E176-P217 VanDerWaalsContact CB-O 3.31Å; E176-P217 WeakPolarHBondContact CB-O 3.46Å; A177-P217 HydrophobicContact CB-CG 3.97Å; A177-P217 PolarHBondContact N-O 2.9Å; A177-P217 VanDerWaalsContact O-CD 3.27Å; A177-P217 WeakPolarHBondContact O-CD 3.38Å; L180-P217 HydrophobicContact CD1-CG 3.69Å; P192-P217 HydrophobicContact CB-CB 4.34Å; P192-P217 HydrophobicContact CB-CG 3.95Å; P192-P217 HydrophobicContact CG-CB 3.6Å; P192-P217 HydrophobicContact CG-CG 3.58Å; L211-P217 HydrophobicContact CB-CB 4.38Å; L211-P217 HydrophobicContact CD1-CB 3.7Å; T214-P217 HydrophobicContact CG2-CB 3.94Å; L215-P217 WeakPolarHBondContact O-CD 3.44Å; P217-F219 HydrophobicContact CB-CD2 4.41Å; P217-F219 HydrophobicContact CB-CE1 4.04Å; P217-F219 HydrophobicContact CB-CE2 3.75Å; P217-F219 HydrophobicContact CB-CZ 3.54Å; P217-F219 HydrophobicContact CG-CE2 3.62Å; P217-F219 HydrophobicContact CG-CZ 3.62Å | ||
| 218 | V | 98.1 | Very high | 95.5 | Very high | 83 Ų | 83 | 53.2 Ų | 53.2 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 97.3 | 168.9 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | K175 E176 R209 L211 D216 | K175-V218 CarbonylContact O-C 3.56Å; E176-V218 HydrophobicContact CB-CB 4.45Å; E176-V218 HydrophobicContact CB-CG2 4.19Å; R209-V218 PolarHBondContact NH2-O 3.05Å; L211-V218 WeakPolarHBondContact CD1-O 3.41Å; D216-V218 PolarHBondContact O-N 2.82Å |
| 219 | F | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -52.7 | 179.1 | -58.7 | -73.1 | 0 | 0 | 0 | 112 | I174 K175 P192 I194 T208 R209 L211 P217 E221 | I174-F219 HydrophobicContact CG2-CB 4.35Å; I174-F219 HydrophobicContact CG2-CD2 3.97Å; I174-F219 HydrophobicContact CG2-CG 4.38Å; K175-F219 WeakPolarHBondContact O-CA 3.48Å; K175-F219 PolarHBondContact O-N 3Å; P192-F219 HydrophobicContact CB-CZ 4.44Å; I194-F219 HydrophobicContact CD1-CD2 4.08Å; I194-F219 HydrophobicContact CD1-CE2 3.49Å; I194-F219 VanDerWaalsContact CD1-CE2 3.49Å; I194-F219 HydrophobicContact CD1-CZ 4.04Å; I194-F219 HydrophobicContact CG1-CE2 3.89Å; I194-F219 HydrophobicContact CG1-CZ 3.88Å; T208-F219 HydrophobicContact CG2-CB 4.28Å; T208-F219 HydrophobicContact CG2-CD1 3.97Å; T208-F219 HydrophobicContact CG2-CG 4.07Å; T208-F219 WeakPolarHBondContact OG1-CD1 3.47Å; T208-F219 WeakPolarHBondContact OG1-CE1 3.23Å; R209-F219 PolarHBondContact NH2-O 3.49Å; L211-F219 HydrophobicContact CD1-CD1 3.93Å; L211-F219 HydrophobicContact CD1-CE1 4.11Å; L211-F219 HydrophobicContact CG-CD1 4.27Å; L211-F219 HydrophobicContact CG-CE1 4.26Å; P217-F219 HydrophobicContact CB-CD2 4.41Å; P217-F219 HydrophobicContact CB-CE1 4.04Å; P217-F219 HydrophobicContact CB-CE2 3.75Å; P217-F219 HydrophobicContact CB-CZ 3.54Å; P217-F219 HydrophobicContact CG-CE2 3.62Å; P217-F219 HydrophobicContact CG-CZ 3.62Å; F219-E221 VanDerWaalsContact C-N 3.29Å; F219-E221 PolarHBondContact O-N 2.83Å |
| 220 | D | 96.9 | Very high | 94.9 | Very high | 94 Ų | 94 | 51.3 Ų | 51.3 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 40.3 | 50.2 | -165.9 | -164.6 | 30.8 | 0 | 0 | 0 | 114.2 | N173 I174 K175 | N173-D220 PolarHBondContact ND2-OD1 2.85Å; I174-D220 WeakPolarHBondContact O-CA 3.16Å; I174-D220 PolarHBondContact O-N 3.42Å; K175-D220 PolarHBondContact O-N 3.19Å |
| 221 | E | 97.7 | Very high | 94.6 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.5 | -178.7 | -76.2 | -179.8 | -121.8 | 0 | 0 | 111.6 | N173 I174 T208 R209 F219 F223 | N173-E221 CarbonylContact C-O 3.53Å; N173-E221 WeakPolarHBondContact CA-O 3.08Å; I174-E221 PolarHBondContact N-O 3.33Å; I174-E221 PolarHBondContact O-N 2.88Å; T208-E221 VanDerWaalsContact CA-OE2 3.25Å; T208-E221 WeakPolarHBondContact CA-OE2 3.37Å; T208-E221 WeakPolarHBondContact CB-OE1 3.44Å; T208-E221 HydrophobicContact CG2-CB 4.49Å; R209-E221 WeakPolarHBondContact CD-OE1 3.44Å; R209-E221 WeakPolarHBondContact CG-OE1 3.17Å; R209-E221 PolarHBondContact N-OE1 2.98Å; R209-E221 PolarHBondContact N-OE2 2.88Å; R209-E221 IonicContact NE-OE1 3.66Å; R209-E221 PolarHBondContact NE-OE1 2.79Å; F219-E221 VanDerWaalsContact C-N 3.29Å; F219-E221 PolarHBondContact O-N 2.83Å; E221-F223 HydrophobicContact CB-CE2 3.97Å; E221-F223 HydrophobicContact CB-CZ 3.97Å |
| 222 | T | 97 | Very high | 94.2 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 22% | 0.221 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.3 | -174.5 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | V171 N173 | V171-T222 HydrophobicContact CG1-CG2 3.49Å; V171-T222 VanDerWaalsContact CG1-CG2 3.49Å; N173-T222 HydrophobicContact CB-CG2 4.33Å; N173-T222 PolarHBondContact ND2-OG1 2.98Å; N173-T222 VanDerWaalsContact ND2-OG1 3.12Å |
| 223 | F | 96.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.7 | 179.4 | -55.4 | -75.9 | 0 | 0 | 0 | 110 | V171 V172 I174 V206 T208 E221 F225 | V171-F223 WeakPolarHBondContact CA-O 3.42Å; V172-F223 PolarHBondContact N-O 3.19Å; V172-F223 PolarHBondContact O-N 3.11Å; I174-F223 HydrophobicContact CD1-CD2 4.2Å; I174-F223 HydrophobicContact CD1-CE2 3.76Å; I174-F223 HydrophobicContact CG1-CD2 4.29Å; I174-F223 HydrophobicContact CG1-CE2 4.09Å; V206-F223 HydrophobicContact CB-CD1 3.58Å; V206-F223 HydrophobicContact CB-CE1 3.74Å; V206-F223 HydrophobicContact CB-CG 4.14Å; V206-F223 HydrophobicContact CB-CZ 4.42Å; V206-F223 HydrophobicContact CG1-CD1 3.85Å; V206-F223 HydrophobicContact CG1-CE1 4.42Å; V206-F223 HydrophobicContact CG1-CG 4.42Å; V206-F223 HydrophobicContact CG2-CB 4.17Å; V206-F223 HydrophobicContact CG2-CD1 3.57Å; V206-F223 HydrophobicContact CG2-CD2 3.91Å; V206-F223 HydrophobicContact CG2-CE1 3.89Å; V206-F223 HydrophobicContact CG2-CE2 4.21Å; V206-F223 HydrophobicContact CG2-CG 3.59Å; V206-F223 HydrophobicContact CG2-CZ 4.2Å; T208-F223 HydrophobicContact CG2-CE2 4.25Å; T208-F223 HydrophobicContact CG2-CZ 4.27Å; E221-F223 HydrophobicContact CB-CE2 3.97Å; E221-F223 HydrophobicContact CB-CZ 3.97Å; F223-F225 HydrophobicContact CB-CE2 3.62Å; F223-F225 HydrophobicContact CB-CZ 3.64Å |
| 224 | T | 95.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.08 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122 | -177.1 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | A169 V171 Y226 | A169-T224 HydrophobicContact CB-CG2 3.79Å; V171-T224 HydrophobicContact CG2-CG2 4.12Å; T224-Y226 HydrophobicContact CG2-CD2 4.15Å; T224-Y226 HydrophobicContact CG2-CE1 4Å; T224-Y226 HydrophobicContact CG2-CE2 3.6Å |
| 225 | F | 93.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.022 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 96.8 | -176.7 | -55.3 | -82.1 | 0 | 0 | 0 | 109.7 | A169 F170 V172 M196 I198 H204 V206 F223 I228 | A169-F225 WeakPolarHBondContact CA-O 3.43Å; F170-F225 HydrophobicContact CB-CB 4.45Å; F170-F225 HydrophobicContact CD1-CD2 4.36Å; F170-F225 PolarHBondContact N-O 2.84Å; F170-F225 PolarHBondContact O-N 2.76Å; V172-F225 HydrophobicContact CB-CE2 4.4Å; V172-F225 HydrophobicContact CG2-CD2 4.49Å; V172-F225 HydrophobicContact CG2-CE2 4.14Å; M196-F225 HydrophobicContact CE-CD2 4.39Å; M196-F225 HydrophobicContact CE-CE1 4.32Å; M196-F225 HydrophobicContact CE-CE2 3.36Å; M196-F225 HydrophobicContact CE-CZ 3.32Å; M196-F225 HydrophobicContact SD-CE2 4.48Å; M196-F225 HydrophobicContact SD-CZ 4.42Å; I198-F225 HydrophobicContact CD1-CB 4.25Å; I198-F225 HydrophobicContact CD1-CD1 3.69Å; I198-F225 HydrophobicContact CD1-CD2 3.85Å; I198-F225 HydrophobicContact CD1-CE1 4Å; I198-F225 HydrophobicContact CD1-CE2 4.15Å; I198-F225 HydrophobicContact CD1-CG 3.62Å; I198-F225 HydrophobicContact CD1-CZ 4.23Å; H204-F225 HydrophobicContact CB-CD1 3.9Å; H204-F225 HydrophobicContact CB-CE1 3.9Å; V206-F225 HydrophobicContact CG1-CE1 4.03Å; V206-F225 HydrophobicContact CG1-CZ 4.07Å; V206-F225 HydrophobicContact CG2-CZ 4.11Å; F223-F225 HydrophobicContact CB-CE2 3.62Å; F223-F225 HydrophobicContact CB-CZ 3.64Å; F225-I228 HydrophobicContact CB-CD1 3.7Å; F225-I228 HydrophobicContact CB-CG1 4.44Å |
| 226 | Y | 91.9 | Very high | 92.5 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 37% | 0.365 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 146.3 | 178.4 | -62.8 | -84.3 | 0 | 0 | 0 | 111.8 | V56 K167 A169 T224 | V56-Y226 HydrophobicContact CG1-CE2 4.1Å; K167-Y226 HydrophobicContact CB-CE1 4.28Å; A169-Y226 HydrophobicContact CB-CD1 3.62Å; A169-Y226 HydrophobicContact CB-CE1 3.85Å; A169-Y226 HydrophobicContact CB-CG 4.28Å; T224-Y226 HydrophobicContact CG2-CD2 4.15Å; T224-Y226 HydrophobicContact CG2-CE1 4Å; T224-Y226 HydrophobicContact CG2-CE2 3.6Å |
| 227 | G | 86.9 | Confident | 92.1 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 9.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115 | K168 P229 | K168-G227 PolarHBondContact O-N 3.2Å; G227-P229 WeakPolarHBondContact O-CD 3.45Å |
| 228 | I | 88.9 | Confident | 91.8 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | trans | -89.2 | 114.5 | 168.2 | -56.5 | -179.2 | 0 | 0 | 0 | 107.6 | Y163 I198 F225 I233 L236 | Y163-I228 VanDerWaalsContact CE2-O 3.31Å; Y163-I228 WeakPolarHBondContact CE2-O 3.45Å; Y163-I228 PolarHBondContact OH-O 2.94Å; I198-I228 HydrophobicContact CD1-CD1 4.01Å; F225-I228 HydrophobicContact CB-CD1 3.7Å; F225-I228 HydrophobicContact CB-CG1 4.44Å; I228-I233 HydrophobicContact CB-CD1 4.48Å; I228-I233 HydrophobicContact CG2-CD1 3.59Å; I228-I233 HydrophobicContact CG2-CG1 4.38Å; I228-L236 HydrophobicContact CD1-CD1 4.25Å; I228-L236 HydrophobicContact CG2-CD1 3.8Å | ||
| 229 | P | 90.9 | Very high | 91.4 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 36% | 0.357 | 24% | 0.241 | S | C | . | . | trans | -67 | 143.5 | 174.8 | -20.7 | 34.5 | 0 | 0 | 0 | 112.2 | G227 P231 H232 | G227-P229 WeakPolarHBondContact O-CD 3.45Å; P229-P231 VanDerWaalsContact C-CD 3.48Å; P229-H232 WeakPolarHBondContact CD-ND1 3.49Å; P229-H232 PolarHBondContact O-N 2.96Å; P229-H232 VanDerWaalsContact O-N 3.08Å | ||
| 230 | Y | 92.7 | Very high | 91.3 | Very high | 52 Ų | 52 | 44.2 Ų | 44.2 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -50.6 | -44.9 | 179 | -174.3 | -101 | 0 | 0 | 0 | 114.4 | Y163 F165 H232 I233 L266 S267 | Y163-Y230 AromaticContact CD1-CD2 3.56Å; Y163-Y230 HydrophobicContact CD1-CD2 3.56Å; Y163-Y230 HydrophobicContact CD1-CE2 4.38Å; Y163-Y230 HydrophobicContact CD1-CG 4.33Å; Y163-Y230 HydrophobicContact CD2-CD2 4.12Å; Y163-Y230 AromaticContact CE1-CD2 3.99Å; Y163-Y230 HydrophobicContact CE1-CD2 3.99Å; Y163-Y230 HydrophobicContact CE1-CG 4.34Å; Y163-Y230 AromaticContact CG-CD2 3.63Å; Y163-Y230 HydrophobicContact CG-CD2 3.63Å; Y163-Y230 HydrophobicContact CG-CE2 4.31Å; Y163-Y230 PolarHBondContact OH-N 2.72Å; Y163-Y230 VanDerWaalsContact OH-N 3.13Å; F165-Y230 HydrophobicContact CE1-CD1 4.18Å; F165-Y230 AromaticContact CE1-CD2 3.61Å; F165-Y230 HydrophobicContact CE1-CD2 3.61Å; F165-Y230 AromaticContact CE1-CE2 3.98Å; F165-Y230 HydrophobicContact CE1-CE2 3.98Å; F165-Y230 AromaticContact CE1-CG 3.71Å; F165-Y230 HydrophobicContact CE1-CG 3.71Å; F165-Y230 HydrophobicContact CE2-CE2 4.47Å; F165-Y230 AromaticContact CZ-CD2 3.59Å; F165-Y230 HydrophobicContact CZ-CD2 3.59Å; F165-Y230 HydrophobicContact CZ-CE1 4.48Å; F165-Y230 AromaticContact CZ-CE2 3.5Å; F165-Y230 HydrophobicContact CZ-CE2 3.5Å; F165-Y230 HydrophobicContact CZ-CG 4.12Å; F165-Y230 AromaticContact CZ-CZ 3.99Å; Y230-H232 VanDerWaalsContact C-N 3.29Å; Y230-H232 PolarHBondContact O-N 2.87Å; Y230-I233 VanDerWaalsContact O-CB 3.25Å; Y230-I233 WeakPolarHBondContact O-CB 3.45Å; Y230-I233 WeakPolarHBondContact O-CG1 3.32Å; Y230-I233 PolarHBondContact O-N 2.97Å; Y230-I233 VanDerWaalsContact O-N 3.07Å; Y230-L266 HydrophobicContact CE2-CB 4.05Å; Y230-L266 PolarHBondContact OH-N 2.8Å; Y230-S267 PolarHBondContact OH-N 3.29Å |
| 231 | P | 90.2 | Very high | 91.1 | Very high | 91 Ų | 91 | 40.1 Ų | 40.1 | 59% | 0.591 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.4 | -37 | 179.6 | -24.7 | 36.1 | 0 | 0 | 0 | 113.3 | P229 I233 Q234 | P229-P231 VanDerWaalsContact C-CD 3.48Å; P231-I233 PolarHBondContact O-N 2.75Å; P231-Q234 PolarHBondContact O-N 2.64Å |
| 232 | H | 88.1 | Confident | 91.1 | Very high | 94 Ų | 94 | 39 Ų | 39 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.5 | -17.6 | 179.6 | -59.3 | 164.3 | 0 | 0 | 0 | 112.7 | P229 Y230 Q234 E235 L236 | P229-H232 WeakPolarHBondContact CD-ND1 3.49Å; P229-H232 PolarHBondContact O-N 2.96Å; P229-H232 VanDerWaalsContact O-N 3.08Å; Y230-H232 VanDerWaalsContact C-N 3.29Å; Y230-H232 PolarHBondContact O-N 2.87Å; H232-Q234 PolarHBondContact O-N 2.92Å; H232-E235 WeakPolarHBondContact O-CB 3.25Å; H232-E235 PolarHBondContact O-N 2.78Å; H232-L236 WeakPolarHBondContact O-CG 3.45Å |
| 233 | I | 89.3 | Confident | 90.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.7 | -37.7 | 177.4 | -61.8 | -70 | 0 | 0 | 0 | 111 | Y163 F170 I228 Y230 P231 E235 L236 L261 L266 | Y163-I233 HydrophobicContact CD2-CD1 4.04Å; Y163-I233 HydrophobicContact CD2-CG1 4.03Å; Y163-I233 HydrophobicContact CE2-CD1 4.2Å; Y163-I233 HydrophobicContact CE2-CG1 4.17Å; F170-I233 HydrophobicContact CB-CD1 3.79Å; F170-I233 HydrophobicContact CD1-CD1 4.06Å; F170-I233 HydrophobicContact CD2-CD1 3.98Å; F170-I233 HydrophobicContact CG-CD1 3.69Å; I228-I233 HydrophobicContact CB-CD1 4.48Å; I228-I233 HydrophobicContact CG2-CD1 3.59Å; I228-I233 HydrophobicContact CG2-CG1 4.38Å; Y230-I233 VanDerWaalsContact O-CB 3.25Å; Y230-I233 WeakPolarHBondContact O-CB 3.45Å; Y230-I233 WeakPolarHBondContact O-CG1 3.32Å; Y230-I233 PolarHBondContact O-N 2.97Å; Y230-I233 VanDerWaalsContact O-N 3.07Å; P231-I233 PolarHBondContact O-N 2.75Å; I233-E235 PolarHBondContact O-N 3.02Å; I233-L236 HydrophobicContact CD1-CD1 4.3Å; I233-L236 PolarHBondContact O-N 3Å; I233-L236 VanDerWaalsContact O-N 3.09Å; I233-L261 HydrophobicContact CG2-CB 4.13Å; I233-L261 HydrophobicContact CG2-CD1 3.9Å; I233-L261 VanDerWaalsContact O-CB 3.22Å; I233-L261 WeakPolarHBondContact O-CB 3.15Å; I233-L266 HydrophobicContact CG2-CD1 4.2Å |
| 234 | Q | 86.6 | Confident | 90.8 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 33% | 0.327 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -20.2 | -179.8 | -60.7 | -60.1 | -40.5 | 0 | 0 | 113.7 | P231 H232 L261 S262 I264 | P231-Q234 PolarHBondContact O-N 2.64Å; H232-Q234 PolarHBondContact O-N 2.92Å; Q234-L261 PolarHBondContact OE1-O 2.84Å; Q234-S262 WeakPolarHBondContact O-CA 3.35Å; Q234-S262 WeakPolarHBondContact O-CB 3.29Å; Q234-S262 PolarHBondContact O-N 3.01Å; Q234-I264 PolarHBondContact NE2-O 3.14Å |
| 235 | E | 83.6 | Confident | 90.7 | Very high | 146 Ų | 146 | 40 Ų | 40 | 68% | 0.682 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -9.4 | 179.1 | -58.8 | 175.8 | -163.7 | 0 | 0 | 113 | H232 I233 | H232-E235 WeakPolarHBondContact O-CB 3.25Å; H232-E235 PolarHBondContact O-N 2.78Å; I233-E235 PolarHBondContact O-N 3.02Å |
| 236 | L | 86.4 | Confident | 90.3 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | trans | -91.1 | 163.4 | -174.7 | -60.6 | 178 | 0 | 0 | 0 | 112.5 | I198 L199 I228 H232 I233 L261 | I198-L236 HydrophobicContact CG2-CB 4.26Å; I198-L236 HydrophobicContact CG2-CD1 3.92Å; I198-L236 HydrophobicContact CG2-CD2 4.02Å; I198-L236 HydrophobicContact CG2-CG 4.28Å; L199-L236 WeakPolarHBondContact O-CA 3.34Å; L199-L236 VanDerWaalsContact O-CD2 3.29Å; L199-L236 WeakPolarHBondContact O-CD2 3.22Å; I228-L236 HydrophobicContact CD1-CD1 4.25Å; I228-L236 HydrophobicContact CG2-CD1 3.8Å; H232-L236 WeakPolarHBondContact O-CG 3.45Å; I233-L236 HydrophobicContact CD1-CD1 4.3Å; I233-L236 PolarHBondContact O-N 3Å; I233-L236 VanDerWaalsContact O-N 3.09Å; L236-L261 HydrophobicContact CB-CD1 4.09Å; L236-L261 PolarHBondContact O-N 3.01Å | ||
| 237 | S | 88.2 | Confident | 90.1 | Very high | 28 Ų | 28 | 47 Ų | 47 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 140.5 | 166.9 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | L199 I259 | L199-S237 WeakPolarHBondContact CB-O 3.15Å; L199-S237 PolarHBondContact N-O 3.21Å; L199-S237 PolarHBondContact O-N 2.97Å; L199-S237 VanDerWaalsContact O-N 3.09Å; S237-I259 CarbonylContact C-O 3.56Å; S237-I259 VanDerWaalsContact CA-O 3.32Å; S237-I259 WeakPolarHBondContact CA-O 3.29Å |
| 238 | L | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.7 | 173.3 | -62.9 | -177.1 | 0 | 0 | 0 | 109.9 | L161 F170 V172 M196 I198 F240 L258 I259 L261 | L161-L238 HydrophobicContact CD1-CD1 4.46Å; L161-L238 HydrophobicContact CD2-CD1 3.52Å; F170-L238 HydrophobicContact CE1-CD1 4.37Å; F170-L238 HydrophobicContact CE1-CD2 4.01Å; F170-L238 HydrophobicContact CZ-CD1 4.17Å; V172-L238 HydrophobicContact CG1-CD1 4.24Å; V172-L238 HydrophobicContact CG2-CD1 3.92Å; V172-L238 HydrophobicContact CG2-CD2 4.43Å; M196-L238 HydrophobicContact CE-CD2 3.72Å; I198-L238 HydrophobicContact CG1-CD2 3.94Å; L238-F240 HydrophobicContact CB-CD2 4.39Å; L238-F240 HydrophobicContact CB-CE2 3.6Å; L238-F240 HydrophobicContact CB-CZ 4.01Å; L238-F240 HydrophobicContact CD1-CE2 4.17Å; L238-F240 HydrophobicContact CD1-CZ 3.92Å; L238-L258 WeakPolarHBondContact O-CA 3.48Å; L238-I259 HydrophobicContact CB-CB 4.33Å; L238-I259 PolarHBondContact N-O 3.37Å; L238-I259 PolarHBondContact O-N 3.35Å; L238-L261 HydrophobicContact CD1-CD2 4.13Å; L238-L261 HydrophobicContact CG-CD1 4.21Å; L238-L261 HydrophobicContact CG-CD2 4.08Å; L238-L261 HydrophobicContact CG-CG 4.37Å |
| 239 | H | 89.8 | Confident | 89.2 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.4 | 172.5 | -178.4 | -142.7 | 0 | 0 | 0 | 109.6 | M196 M197 L199 E256 L258 | M196-H239 CarbonylContact C-O 3.48Å; M196-H239 WeakPolarHBondContact CA-O 3.48Å; M197-H239 VanDerWaalsContact CE-ND1 3.26Å; M197-H239 WeakPolarHBondContact CE-ND1 3.45Å; M197-H239 PolarHBondContact N-O 3.03Å; M197-H239 PolarHBondContact O-N 3.42Å; L199-H239 HydrophobicContact CD1-CB 4.02Å; L199-H239 HydrophobicContact CG-CB 4.21Å; H239-E256 IonicContact CD2-OE2 3.72Å; H239-E256 IonicContact CE1-OE2 2.72Å; H239-E256 PolarHBondContact CE1-OE2 2.8Å; H239-E256 IonicContact NE2-OE2 2.7Å; H239-E256 PolarHBondContact NE2-OE2 3.22Å; H239-L258 HydrophobicContact CB-CD1 4.17Å |
| 240 | F | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.6 | 172.6 | -54 | -90.8 | 0 | 0 | 0 | 108.3 | L157 L159 V172 I174 I194 K195 M196 L238 E256 V257 I259 | L157-F240 HydrophobicContact CD2-CB 3.89Å; L157-F240 HydrophobicContact CD2-CD1 4.12Å; L157-F240 HydrophobicContact CD2-CD2 3.99Å; L157-F240 HydrophobicContact CD2-CG 3.73Å; L159-F240 HydrophobicContact CD1-CE2 4.37Å; L159-F240 HydrophobicContact CD1-CZ 4.09Å; V172-F240 HydrophobicContact CG1-CE1 4.31Å; V172-F240 HydrophobicContact CG1-CZ 4.1Å; I174-F240 HydrophobicContact CD1-CD1 3.91Å; I174-F240 HydrophobicContact CD1-CE1 3.69Å; I174-F240 HydrophobicContact CG1-CE1 3.96Å; I194-F240 HydrophobicContact CG2-CB 3.93Å; I194-F240 HydrophobicContact CG2-CD1 3.87Å; I194-F240 HydrophobicContact CG2-CG 4.4Å; K195-F240 CarbonylContact O-C 3.52Å; K195-F240 WeakPolarHBondContact O-CA 3.48Å; M196-F240 HydrophobicContact CB-CD1 3.79Å; M196-F240 HydrophobicContact CB-CE1 3.93Å; M196-F240 HydrophobicContact CG-CD1 3.76Å; M196-F240 HydrophobicContact CG-CE1 3.49Å; M196-F240 VanDerWaalsContact CG-CE1 3.49Å; M196-F240 HydrophobicContact CG-CZ 4.16Å; M196-F240 HydrophobicContact SD-CD1 4.5Å; M196-F240 HydrophobicContact SD-CE1 3.68Å; M196-F240 HydrophobicContact SD-CZ 4.18Å; L238-F240 HydrophobicContact CB-CD2 4.39Å; L238-F240 HydrophobicContact CB-CE2 3.6Å; L238-F240 HydrophobicContact CB-CZ 4.01Å; L238-F240 HydrophobicContact CD1-CE2 4.17Å; L238-F240 HydrophobicContact CD1-CZ 3.92Å; F240-E256 CarbonylContact O-C 3.36Å; F240-E256 WeakPolarHBondContact O-CA 3.28Å; F240-E256 WeakPolarHBondContact O-CB 3.27Å; F240-V257 HydrophobicContact CB-CB 4.26Å; F240-V257 HydrophobicContact CD2-CB 4.26Å; F240-V257 HydrophobicContact CD2-CG1 4.35Å; F240-V257 PolarHBondContact N-O 3.45Å; F240-V257 PolarHBondContact O-N 2.84Å; F240-I259 HydrophobicContact CD2-CD1 4.38Å; F240-I259 HydrophobicContact CE2-CD1 3.78Å; F240-I259 HydrophobicContact CE2-CG1 4.19Å |
| 241 | T | 94.2 | Very high | 88 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.3 | 165.7 | -53.5 | 0 | 0 | 0 | 0 | 107.3 | I194 K195 L243 I253 R280 | I194-T241 WeakPolarHBondContact CA-O 3.3Å; K195-T241 PolarHBondContact N-O 2.92Å; K195-T241 PolarHBondContact O-N 3.44Å; T241-L243 HydrophobicContact CG2-CD1 3.87Å; T241-L243 HydrophobicContact CG2-CG 4.2Å; T241-L243 WeakPolarHBondContact O-CD1 3.29Å; T241-I253 HydrophobicContact CG2-CG2 3.86Å; T241-R280 PolarHBondContact OG1-NH1 2.84Å |
| 242 | V | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.5 | 178.6 | -170.8 | 0 | 0 | 0 | 0 | 107.6 | L180 I194 I254 G255 I277 | L180-V242 HydrophobicContact CD1-CG1 4.32Å; L180-V242 HydrophobicContact CD2-CG1 4.21Å; I194-V242 HydrophobicContact CD1-CG2 4.27Å; I194-V242 HydrophobicContact CG1-CG1 4.31Å; I194-V242 HydrophobicContact CG1-CG2 4.2Å; V242-I254 HydrophobicContact CB-CB 4.38Å; V242-I254 HydrophobicContact CG1-CB 4.25Å; V242-I254 HydrophobicContact CG1-CD1 4.26Å; V242-I254 HydrophobicContact CG1-CG2 4.49Å; V242-I254 PolarHBondContact O-N 2.86Å; V242-G255 PolarHBondContact N-O 3.44Å; V242-G255 PolarHBondContact O-N 2.86Å; V242-I277 HydrophobicContact CG2-CD1 4.06Å; V242-I277 HydrophobicContact CG2-CG1 4.35Å; V242-I277 HydrophobicContact CG2-CG2 4.45Å |
| 243 | L | 94.6 | Very high | 87.8 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.4 | -178.3 | -56.6 | 96.2 | 0 | 0 | 0 | 111.4 | P192 Y193 K195 T241 D251 D252 I253 | P192-L243 CarbonylContact C-O 3.48Å; P192-L243 VanDerWaalsContact CA-O 3.25Å; P192-L243 WeakPolarHBondContact CA-O 3.49Å; Y193-L243 HydrophobicContact CD1-CB 4.22Å; Y193-L243 HydrophobicContact CE1-CB 3.84Å; Y193-L243 HydrophobicContact CE2-CD1 4.29Å; Y193-L243 PolarHBondContact N-O 3.07Å; Y193-L243 PolarHBondContact O-N 3.29Å; K195-L243 HydrophobicContact CB-CD1 4.31Å; K195-L243 HydrophobicContact CD-CD1 3.59Å; K195-L243 HydrophobicContact CD-CD2 4.48Å; K195-L243 HydrophobicContact CG-CD1 3.71Å; T241-L243 HydrophobicContact CG2-CD1 3.87Å; T241-L243 HydrophobicContact CG2-CG 4.2Å; T241-L243 WeakPolarHBondContact O-CD1 3.29Å; L243-D251 HydrophobicContact CB-CB 4.36Å; L243-D251 HydrophobicContact CD2-CB 3.84Å; L243-D252 CarbonylContact C-O 3.59Å; L243-D252 WeakPolarHBondContact CA-O 3.36Å; L243-D252 VanDerWaalsContact CB-O 3.32Å; L243-D252 WeakPolarHBondContact CB-O 3.15Å; L243-I253 HydrophobicContact CD2-CG1 3.83Å; L243-I253 HydrophobicContact CG-CG1 4.24Å |
| 244 | S | 93.7 | Very high | 87.9 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.1 | 160.4 | -168.3 | 0 | 0 | 0 | 0 | 108.9 | D191 D251 D252 | D191-S244 PolarHBondContact N-OG 2.8Å; S244-D251 CarbonylContact O-C 3.31Å; S244-D251 VanDerWaalsContact O-CA 3.25Å; S244-D251 WeakPolarHBondContact O-CA 3.45Å; S244-D251 WeakPolarHBondContact O-CB 3.46Å; S244-D252 PolarHBondContact N-O 2.95Å; S244-D252 PolarHBondContact O-N 2.96Å; S244-D252 VanDerWaalsContact O-N 3.12Å |
| 245 | F | 92.9 | Very high | 88.1 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | trans | -78 | 132.7 | 176 | 172.2 | -83.5 | 0 | 0 | 0 | 111.1 | D191 Y193 V210 R212 R247 D251 | D191-F245 HydrophobicContact CB-CB 4.07Å; D191-F245 PolarHBondContact O-N 3.46Å; Y193-F245 HydrophobicContact CD1-CB 4.09Å; Y193-F245 HydrophobicContact CE1-CB 4.13Å; V210-F245 HydrophobicContact CG1-CB 3.68Å; V210-F245 HydrophobicContact CG1-CG 4.12Å; V210-F245 HydrophobicContact CG2-CB 4.02Å; V210-F245 HydrophobicContact CG2-CD2 4.12Å; V210-F245 HydrophobicContact CG2-CG 4.17Å; R212-F245 VanDerWaalsContact NH1-CD1 3.3Å; F245-R247 HydrophobicContact CE1-CB 4.11Å; F245-D251 WeakPolarHBondContact CA-OD1 3.2Å | ||
| 246 | D | 85.6 | Confident | 88.5 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | trans | -113.2 | 142.3 | 167.7 | -166.5 | -29 | 0 | 0 | 0 | 110.3 | F248 S249 D251 | D246-F248 PolarHBondContact OD1-N 2.98Å; D246-S249 VanDerWaalsContact CG-N 3.34Å; D246-S249 VanDerWaalsContact CG-OG 3.3Å; D246-S249 PolarHBondContact OD1-N 2.71Å; D246-S249 VanDerWaalsContact OD1-N 3.16Å; D246-S249 WeakPolarHBondContact OD2-CB 3.32Å; D246-S249 PolarHBondContact OD2-OG 2.7Å; D246-D251 PolarHBondContact N-OD1 2.72Å | ||
| 247 | R | 86.5 | Confident | 88.7 | Confident | 193 Ų | 193 | 50.5 Ų | 50.5 | 73% | 0.728 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -82.7 | -29.4 | 175.9 | -178.5 | 174 | 178.9 | -173.2 | -1 | 113.3 | F245 | F245-R247 HydrophobicContact CE1-CB 4.11Š|
| 248 | F | 80 | Confident | 88.8 | Confident | 174 Ų | 174 | 53.7 Ų | 53.7 | 76% | 0.763 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -120.5 | -15.8 | -168.1 | -56.5 | -66.7 | 0 | 0 | 0 | 113.3 | D246 | D246-F248 PolarHBondContact OD1-N 2.98Š|
| 249 | S | 77.9 | Confident | 88.7 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 52% | 0.524 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -122.9 | -157.1 | 174.5 | 96.4 | 0 | 0 | 0 | 0 | 112.6 | D246 | D246-S249 VanDerWaalsContact CG-N 3.34Å; D246-S249 VanDerWaalsContact CG-OG 3.3Å; D246-S249 PolarHBondContact OD1-N 2.71Å; D246-S249 VanDerWaalsContact OD1-N 3.16Å; D246-S249 WeakPolarHBondContact OD2-CB 3.32Å; D246-S249 PolarHBondContact OD2-OG 2.7Å |
| 250 | R | 74.4 | Confident | 88.5 | Confident | 189 Ų | 189 | 55.8 Ų | 55.8 | 71% | 0.713 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 139.1 | 175.3 | -69.8 | -169.3 | -69.2 | -172.2 | -3.7 | 109.1 | D252 D318 | R250-D252 PolarHBondContact O-N 3.15Å; R250-D318 IonicContact NH1-OD2 2.64Å; R250-D318 PolarHBondContact NH1-OD2 2.96Å |
| 251 | D | 83.5 | Confident | 88.1 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 122.9 | 175.8 | -59.2 | -27.1 | 0 | 0 | 0 | 112.8 | Y193 K195 L243 S244 F245 D246 | Y193-D251 HydrophobicContact CE1-CB 4.43Å; Y193-D251 PolarHBondContact OH-OD2 3.48Å; K195-D251 IonicContact NZ-OD2 3.91Å; L243-D251 HydrophobicContact CB-CB 4.36Å; L243-D251 HydrophobicContact CD2-CB 3.84Å; S244-D251 CarbonylContact O-C 3.31Å; S244-D251 VanDerWaalsContact O-CA 3.25Å; S244-D251 WeakPolarHBondContact O-CA 3.45Å; S244-D251 WeakPolarHBondContact O-CB 3.46Å; F245-D251 WeakPolarHBondContact CA-OD1 3.2Å; D246-D251 PolarHBondContact N-OD1 2.72Å |
| 252 | D | 83.9 | Confident | 87.7 | Confident | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 134.4 | 176.6 | -69.7 | -59.2 | 0 | 0 | 0 | 111.8 | M183 L243 S244 R250 I254 | M183-D252 HydrophobicContact CB-CB 4.34Å; M183-D252 HydrophobicContact CG-CB 4.22Å; M183-D252 HydrophobicContact SD-CB 4.03Å; L243-D252 CarbonylContact C-O 3.59Å; L243-D252 WeakPolarHBondContact CA-O 3.36Å; L243-D252 VanDerWaalsContact CB-O 3.32Å; L243-D252 WeakPolarHBondContact CB-O 3.15Å; S244-D252 PolarHBondContact N-O 2.95Å; S244-D252 PolarHBondContact O-N 2.96Å; S244-D252 VanDerWaalsContact O-N 3.12Å; R250-D252 PolarHBondContact O-N 3.15Å; D252-I254 PolarHBondContact O-N 2.81Å |
| 253 | I | 89.2 | Confident | 86.9 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 105.6 | 174.8 | -59.9 | 172.8 | 0 | 0 | 0 | 108.8 | T241 L243 R280 | T241-I253 HydrophobicContact CG2-CG2 3.86Å; L243-I253 HydrophobicContact CD2-CG1 3.83Å; L243-I253 HydrophobicContact CG-CG1 4.24Å; I253-R280 HydrophobicContact CG2-CB 4.16Å |
| 254 | I | 91.8 | Very high | 86.6 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -47.1 | 173.3 | -65.5 | 172.9 | 0 | 0 | 0 | 109.9 | L180 P181 M183 V242 D252 | L180-I254 HydrophobicContact CD1-CD1 4.28Å; L180-I254 HydrophobicContact CD2-CG2 4.3Å; P181-I254 HydrophobicContact CG-CG2 3.72Å; M183-I254 HydrophobicContact CE-CG1 4.23Å; M183-I254 HydrophobicContact CG-CD1 4.31Å; M183-I254 HydrophobicContact CG-CG1 3.77Å; M183-I254 HydrophobicContact SD-CG1 4.34Å; V242-I254 HydrophobicContact CB-CB 4.38Å; V242-I254 HydrophobicContact CG1-CB 4.25Å; V242-I254 HydrophobicContact CG1-CD1 4.26Å; V242-I254 HydrophobicContact CG1-CG2 4.49Å; V242-I254 PolarHBondContact O-N 2.86Å; D252-I254 PolarHBondContact O-N 2.81Å |
| 255 | G | 91.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174 | -166.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V242 I278 | V242-G255 PolarHBondContact N-O 3.44Å; V242-G255 PolarHBondContact O-N 2.86Å; G255-I278 WeakPolarHBondContact CA-O 3.41Å |
| 256 | E | 90.6 | Very high | 86.1 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 18% | 0.178 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 161.9 | 178.8 | 65.3 | -172.2 | 174.6 | 0 | 0 | 113.3 | H239 F240 I278 R280 | H239-E256 IonicContact CD2-OE2 3.72Å; H239-E256 IonicContact CE1-OE2 2.72Å; H239-E256 PolarHBondContact CE1-OE2 2.8Å; H239-E256 IonicContact NE2-OE2 2.7Å; H239-E256 PolarHBondContact NE2-OE2 3.22Å; F240-E256 CarbonylContact O-C 3.36Å; F240-E256 WeakPolarHBondContact O-CA 3.28Å; F240-E256 WeakPolarHBondContact O-CB 3.27Å; E256-I278 HydrophobicContact CG-CD1 4.43Å; E256-I278 HydrophobicContact CG-CG1 4.1Å; E256-I278 PolarHBondContact N-O 3.01Å; E256-I278 WeakPolarHBondContact O-CG1 3.5Å; E256-I278 PolarHBondContact O-N 2.77Å; E256-R280 HydrophobicContact CG-CB 4.23Å; E256-R280 HydrophobicContact CG-CG 4.44Å; E256-R280 IonicContact OE2-CZ 3.93Å; E256-R280 IonicContact OE2-NE 3.28Å; E256-R280 IonicContact OE2-NH1 2.86Å; E256-R280 PolarHBondContact OE2-NH1 2.95Å |
| 257 | V | 92.5 | Very high | 85.9 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 128.6 | 173.7 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | L157 F240 I259 R275 I277 | L157-V257 HydrophobicContact CB-CG2 4.15Å; L157-V257 HydrophobicContact CD2-CB 4.26Å; L157-V257 HydrophobicContact CD2-CG2 4.07Å; F240-V257 HydrophobicContact CB-CB 4.26Å; F240-V257 HydrophobicContact CD2-CB 4.26Å; F240-V257 HydrophobicContact CD2-CG1 4.35Å; F240-V257 PolarHBondContact N-O 3.45Å; F240-V257 PolarHBondContact O-N 2.84Å; V257-I259 HydrophobicContact CG1-CD1 4.06Å; V257-I259 HydrophobicContact CG1-CG1 3.75Å; V257-R275 HydrophobicContact CG1-CB 3.49Å; V257-R275 VanDerWaalsContact CG1-CB 3.49Å; V257-R275 HydrophobicContact CG1-CG 3.9Å; V257-R275 HydrophobicContact CG2-CB 4.46Å; V257-I277 HydrophobicContact CG2-CB 4.48Å; V257-I277 HydrophobicContact CG2-CG1 3.96Å |
| 258 | L | 90 | Very high | 85.6 | Confident | 95 Ų | 95 | 64.4 Ų | 64.4 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125 | 173.1 | -176.9 | 68.5 | 0 | 0 | 0 | 109 | L199 L238 H239 | L199-L258 HydrophobicContact CD1-CD1 3.86Å; L238-L258 WeakPolarHBondContact O-CA 3.48Å; H239-L258 HydrophobicContact CB-CD1 4.17Å |
| 259 | I | 88.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 99.7 | 179.8 | -44.9 | -173.3 | 0 | 0 | 0 | 108.4 | L159 S237 L238 F240 V257 L261 I264 M273 R275 | L159-I259 HydrophobicContact CD1-CD1 3.96Å; L159-I259 HydrophobicContact CD2-CD1 3.72Å; L159-I259 HydrophobicContact CG-CD1 4.47Å; S237-I259 CarbonylContact C-O 3.56Å; S237-I259 VanDerWaalsContact CA-O 3.32Å; S237-I259 WeakPolarHBondContact CA-O 3.29Å; L238-I259 HydrophobicContact CB-CB 4.33Å; L238-I259 PolarHBondContact N-O 3.37Å; L238-I259 PolarHBondContact O-N 3.35Å; F240-I259 HydrophobicContact CD2-CD1 4.38Å; F240-I259 HydrophobicContact CE2-CD1 3.78Å; F240-I259 HydrophobicContact CE2-CG1 4.19Å; V257-I259 HydrophobicContact CG1-CD1 4.06Å; V257-I259 HydrophobicContact CG1-CG1 3.75Å; I259-L261 HydrophobicContact CG2-CD2 4.41Å; I259-L261 PolarHBondContact O-N 3.43Å; I259-I264 HydrophobicContact CG2-CD1 4.08Å; I259-M273 HydrophobicContact CD1-SD 3.85Å; I259-M273 HydrophobicContact CG2-SD 3.9Å; I259-R275 HydrophobicContact CD1-CG 3.79Å; I259-R275 HydrophobicContact CG1-CG 4.11Å |
| 260 | P | 85.9 | Confident | 86.2 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 133.7 | 163.5 | -20 | 33.1 | 0 | 0 | 0 | 109.5 | ||
| 261 | L | 87.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -90.6 | -5.5 | 177.2 | -59.8 | -172.8 | 0 | 0 | 0 | 112.6 | L161 F170 I233 Q234 L236 L238 I259 G263 I264 | L161-L261 HydrophobicContact CD1-CD2 3.82Å; F170-L261 HydrophobicContact CE1-CD1 3.66Å; F170-L261 HydrophobicContact CE2-CD1 4.4Å; F170-L261 HydrophobicContact CZ-CD1 3.48Å; F170-L261 VanDerWaalsContact CZ-CD1 3.48Å; F170-L261 HydrophobicContact CZ-CD2 4.47Å; I233-L261 HydrophobicContact CG2-CB 4.13Å; I233-L261 HydrophobicContact CG2-CD1 3.9Å; I233-L261 VanDerWaalsContact O-CB 3.22Å; I233-L261 WeakPolarHBondContact O-CB 3.15Å; Q234-L261 PolarHBondContact OE1-O 2.84Å; L236-L261 HydrophobicContact CB-CD1 4.09Å; L236-L261 PolarHBondContact O-N 3.01Å; L238-L261 HydrophobicContact CD1-CD2 4.13Å; L238-L261 HydrophobicContact CG-CD1 4.21Å; L238-L261 HydrophobicContact CG-CD2 4.08Å; L238-L261 HydrophobicContact CG-CG 4.37Å; I259-L261 HydrophobicContact CG2-CD2 4.41Å; I259-L261 PolarHBondContact O-N 3.43Å; L261-G263 PolarHBondContact O-N 2.87Å; L261-I264 HydrophobicContact CD2-CD1 3.85Å; L261-I264 WeakPolarHBondContact O-CB 3.49Å; L261-I264 PolarHBondContact O-N 3.42Å | ||
| 262 | S | 84.1 | Confident | 87.6 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 122.9 | 170.1 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | Q234 I264 | Q234-S262 WeakPolarHBondContact O-CA 3.35Å; Q234-S262 WeakPolarHBondContact O-CB 3.29Å; Q234-S262 PolarHBondContact O-N 3.01Å; S262-I264 VanDerWaalsContact C-N 3.29Å |
| 263 | G | 81.3 | Confident | 88.1 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 76% | 0.763 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 3.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L261 | L261-G263 PolarHBondContact O-N 2.87Š|
| 264 | I | 86.9 | Confident | 88.4 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | trans | -90.1 | 113.7 | 170.3 | -55.5 | -174.2 | 0 | 0 | 0 | 108.3 | L161 Q234 I259 L261 S262 L266 M273 | L161-I264 HydrophobicContact CD1-CD1 4.18Å; Q234-I264 PolarHBondContact NE2-O 3.14Å; I259-I264 HydrophobicContact CG2-CD1 4.08Å; L261-I264 HydrophobicContact CD2-CD1 3.85Å; L261-I264 WeakPolarHBondContact O-CB 3.49Å; L261-I264 PolarHBondContact O-N 3.42Å; S262-I264 VanDerWaalsContact C-N 3.29Å; I264-L266 HydrophobicContact CG2-CD2 3.79Å; I264-L266 HydrophobicContact CG2-CG 4.09Å; I264-M273 HydrophobicContact CD1-CE 3.7Å | ||
| 265 | E | 86.7 | Confident | 88.5 | Confident | 132 Ų | 132 | 59 Ų | 59 | 62% | 0.617 | 33% | 0.332 | S | S | * | . | trans | -86.1 | 127.6 | 173.8 | -173.7 | 148.4 | -132.2 | 0 | 0 | 110.2 | S267 | E265-S267 VanDerWaalsContact CG-OG 3.29Å; E265-S267 WeakPolarHBondContact CG-OG 3.46Å | ||
| 266 | L | 89.1 | Confident | 88.7 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | trans | -124.8 | 23.8 | -177.9 | -59.5 | 177 | 0 | 0 | 0 | 111.4 | L161 F170 Y230 I233 I264 M271 | L161-L266 HydrophobicContact CB-CD1 4.42Å; L161-L266 HydrophobicContact CB-CD2 3.84Å; F170-L266 HydrophobicContact CD2-CD1 4.11Å; F170-L266 HydrophobicContact CE2-CD1 3.63Å; Y230-L266 HydrophobicContact CE2-CB 4.05Å; Y230-L266 PolarHBondContact OH-N 2.8Å; I233-L266 HydrophobicContact CG2-CD1 4.2Å; I264-L266 HydrophobicContact CG2-CD2 3.79Å; I264-L266 HydrophobicContact CG2-CG 4.09Å; L266-M271 HydrophobicContact CD2-CB 3.77Å | ||
| 267 | S | 83 | Confident | 88.9 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -69.6 | -42.6 | 172.7 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | Y230 E265 G269 | Y230-S267 PolarHBondContact OH-N 3.29Å; E265-S267 VanDerWaalsContact CG-OG 3.29Å; E265-S267 WeakPolarHBondContact CG-OG 3.46Å; S267-G269 PolarHBondContact O-N 2.96Å; S267-G269 VanDerWaalsContact O-N 3.14Å |
| 268 | D | 78.9 | Confident | 88.7 | Confident | 158 Ų | 158 | 68.2 Ų | 68.2 | 85% | 0.845 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -89.9 | 22.5 | -165 | -61.5 | 7.1 | 0 | 0 | 0 | 112.4 | ||
| 269 | G | 82.5 | Confident | 88.4 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 32% | 0.32 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 94.2 | -132.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S267 M271 | S267-G269 PolarHBondContact O-N 2.96Å; S267-G269 VanDerWaalsContact O-N 3.14Å; G269-M271 PolarHBondContact O-N 2.85Å |
| 270 | K | 89.3 | Confident | 87.6 | Confident | 101 Ų | 101 | 74.1 Ų | 74.1 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | trans | -91 | 101.2 | -164.9 | -175.1 | 170.2 | -178.9 | 170 | 0 | 112.4 | S160 E162 N173 L272 | S160-K270 WeakPolarHBondContact OG-CE 3.13Å; S160-K270 PolarHBondContact OG-NZ 3.38Å; E162-K270 HydrophobicContact CB-CB 4.39Å; E162-K270 HydrophobicContact CB-CG 4.49Å; E162-K270 HydrophobicContact CG-CB 4.43Å; N173-K270 PolarHBondContact OD1-NZ 3.4Å; K270-L272 HydrophobicContact CG-CD2 4.33Å | ||
| 271 | M | 92.5 | Very high | 85.8 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 39% | 0.389 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.4 | 173 | -177.7 | 59 | 67.4 | 0 | 0 | 111 | S160 L161 L266 G269 | S160-M271 CarbonylContact C-O 3.45Å; S160-M271 WeakPolarHBondContact CA-O 3.15Å; S160-M271 WeakPolarHBondContact CB-O 3.46Å; L161-M271 HydrophobicContact CB-CB 4.48Å; L161-M271 PolarHBondContact N-O 2.87Å; L161-M271 PolarHBondContact O-N 3.08Å; L266-M271 HydrophobicContact CD2-CB 3.77Å; G269-M271 PolarHBondContact O-N 2.85Å |
| 272 | L | 94.4 | Very high | 83.9 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 53% | 0.534 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.5 | 171.8 | -56.3 | -171.2 | 0 | 0 | 0 | 109.8 | S160 K270 | S160-L272 VanDerWaalsContact CB-CD2 3.45Å; K270-L272 HydrophobicContact CG-CD2 4.33Å |
| 273 | M | 93.9 | Very high | 81.8 | Confident | 27 Ų | 27 | 83.8 Ų | 83.8 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 157.4 | 171.6 | 60.1 | 166 | 52.5 | 0 | 0 | 113.4 | L159 L161 I259 I264 | L159-M273 HydrophobicContact CD1-CG 4.11Å; L159-M273 HydrophobicContact CD1-SD 4.36Å; L159-M273 HydrophobicContact CD2-CG 4.25Å; L159-M273 HydrophobicContact CG-CG 3.91Å; L159-M273 PolarHBondContact N-O 2.67Å; L159-M273 PolarHBondContact O-N 2.78Å; L159-M273 VanDerWaalsContact O-O 3.05Å; L161-M273 HydrophobicContact CD1-CE 4.44Å; L161-M273 HydrophobicContact CD1-SD 4.28Å; I259-M273 HydrophobicContact CD1-SD 3.85Å; I259-M273 HydrophobicContact CG2-SD 3.9Å; I264-M273 HydrophobicContact CD1-CE 3.7Å |
| 274 | N | 95.1 | Very high | 79.9 | Confident | 84 Ų | 84 | 89.7 Ų | 89.7 | 45% | 0.449 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 154.8 | 169.4 | 66.4 | 73.5 | 0 | 0 | 0 | 110.3 | T156 L157 F158 | T156-N274 HydrophobicContact CG2-CB 3.88Å; L157-N274 CarbonylContact O-C 3.55Å; L157-N274 WeakPolarHBondContact O-CA 3.15Å; F158-N274 HydrophobicContact CD1-CB 3.62Å; F158-N274 HydrophobicContact CE1-CB 3.68Å; F158-N274 HydrophobicContact CG-CB 4.2Å; F158-N274 HydrophobicContact CZ-CB 4.29Å |
| 275 | R | 94.7 | Very high | 77.7 | Confident | 104 Ų | 104 | 92.7 Ų | 92.7 | 39% | 0.392 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 134.7 | 177 | -69 | -64.9 | 177.8 | -104.4 | 9.8 | 110.2 | L157 V257 I259 | L157-R275 PolarHBondContact N-O 3.2Å; L157-R275 PolarHBondContact O-N 2.96Å; V257-R275 HydrophobicContact CG1-CB 3.49Å; V257-R275 VanDerWaalsContact CG1-CB 3.49Å; V257-R275 HydrophobicContact CG1-CG 3.9Å; V257-R275 HydrophobicContact CG2-CB 4.46Å; I259-R275 HydrophobicContact CD1-CG 3.79Å; I259-R275 HydrophobicContact CG1-CG 4.11Å |
| 276 | E | 95.3 | Very high | 75.8 | Confident | 136 Ų | 136 | 90.1 Ų | 90.1 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 139.2 | 171 | -62 | -170.3 | 146.8 | 0 | 0 | 110.3 | I278 | E276-I278 PolarHBondContact O-N 3.28Å |
| 277 | I | 94.6 | Very high | 74.5 | Confident | 8 Ų | 8 | 92 Ų | 92 | 4% | 0.041 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 117.5 | 175.2 | -63.7 | 166.7 | 0 | 0 | 0 | 107.3 | L154 G155 L157 A177 L180 V242 V257 | L154-I277 HydrophobicContact CB-CB 4.19Å; L154-I277 HydrophobicContact CB-CG2 3.94Å; L154-I277 WeakPolarHBondContact O-CD1 3.02Å; G155-I277 WeakPolarHBondContact O-CB 3.28Å; G155-I277 PolarHBondContact O-N 3.45Å; L157-I277 HydrophobicContact CB-CG1 4.26Å; A177-I277 HydrophobicContact CB-CD1 4.43Å; L180-I277 HydrophobicContact CD2-CD1 3.37Å; V242-I277 HydrophobicContact CG2-CD1 4.06Å; V242-I277 HydrophobicContact CG2-CG1 4.35Å; V242-I277 HydrophobicContact CG2-CG2 4.45Å; V257-I277 HydrophobicContact CG2-CB 4.48Å; V257-I277 HydrophobicContact CG2-CG1 3.96Å |
| 278 | I | 88.6 | Confident | 74.2 | Confident | 91 Ų | 91 | 92.7 Ų | 92.7 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -91.5 | 146.3 | 179.2 | 58.6 | 163.5 | 0 | 0 | 0 | 110.7 | G255 E256 E276 R280 | G255-I278 WeakPolarHBondContact CA-O 3.41Å; E256-I278 HydrophobicContact CG-CD1 4.43Å; E256-I278 HydrophobicContact CG-CG1 4.1Å; E256-I278 PolarHBondContact N-O 3.01Å; E256-I278 WeakPolarHBondContact O-CG1 3.5Å; E256-I278 PolarHBondContact O-N 2.77Å; E276-I278 PolarHBondContact O-N 3.28Å; I278-R280 PolarHBondContact O-N 2.82Å; I278-R280 VanDerWaalsContact O-N 3.15Å |
| 279 | K | 83.8 | Confident | 74.5 | Confident | 135 Ų | 135 | 85.3 Ų | 85.3 | 59% | 0.587 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 121.9 | 174.5 | -160.7 | 160.5 | -169.2 | 158.9 | 0 | 107.3 | E152 L154 N281 | E152-K279 IonicContact OE2-NZ 3.57Å; L154-K279 HydrophobicContact CD1-CB 3.61Å; L154-K279 HydrophobicContact CD1-CG 4.06Å; L154-K279 VanDerWaalsContact CD1-N 3.31Å; K279-N281 PolarHBondContact O-N 3.11Å; K279-N281 PolarHBondContact O-ND2 3.16Å |
| 280 | R | 71.7 | Confident | 75 | Confident | 86 Ų | 86 | 86 Ų | 86 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | trans | -59.2 | 105.8 | 176.8 | -177.3 | 172.4 | -170.7 | 117.5 | -24.7 | 107.6 | T241 I253 E256 I278 A282 | T241-R280 PolarHBondContact OG1-NH1 2.84Å; I253-R280 HydrophobicContact CG2-CB 4.16Å; E256-R280 HydrophobicContact CG-CB 4.23Å; E256-R280 HydrophobicContact CG-CG 4.44Å; E256-R280 IonicContact OE2-CZ 3.93Å; E256-R280 IonicContact OE2-NE 3.28Å; E256-R280 IonicContact OE2-NH1 2.86Å; E256-R280 PolarHBondContact OE2-NH1 2.95Å; I278-R280 PolarHBondContact O-N 2.82Å; I278-R280 VanDerWaalsContact O-N 3.15Å; R280-A282 VanDerWaalsContact C-N 3.29Å; R280-A282 PolarHBondContact O-N 3.49Å | ||
| 281 | N | 48.9 | Very low | 75.3 | Confident | 93 Ų | 93 | 81.1 Ų | 81.1 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | trans | -74.3 | 87.7 | -172 | -102.4 | -80.6 | 0 | 0 | 0 | 108.7 | K279 K283 K284 | K279-N281 PolarHBondContact O-N 3.11Å; K279-N281 PolarHBondContact O-ND2 3.16Å; N281-K283 PolarHBondContact O-N 3.08Å; N281-K283 VanDerWaalsContact O-N 3.11Å; N281-K284 HydrophobicContact CB-CB 4.47Å; N281-K284 PolarHBondContact O-N 2.65Å | ||
| 282 | A | 46.5 | Very low | 75.5 | Confident | 58 Ų | 58 | 78.5 Ų | 78.5 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -45.8 | -45.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | R280 K284 S285 S286 | R280-A282 VanDerWaalsContact C-N 3.29Å; R280-A282 PolarHBondContact O-N 3.49Å; A282-K284 PolarHBondContact O-N 3.14Å; A282-S285 CarbonylContact O-C 3.54Å; A282-S285 VanDerWaalsContact O-C 3.29Å; A282-S285 WeakPolarHBondContact O-CA 3.39Å; A282-S285 PolarHBondContact O-N 3.42Å; A282-S286 VanDerWaalsContact C-OG 3.31Å; A282-S286 WeakPolarHBondContact O-CA 3.19Å; A282-S286 WeakPolarHBondContact O-CB 3.34Å; A282-S286 PolarHBondContact O-N 2.82Å; A282-S286 PolarHBondContact O-OG 2.88Å |
| 283 | K | 40.1 | Very low | 75.7 | Confident | 190 Ų | 190 | 73.7 Ų | 73.7 | 83% | 0.826 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -55.7 | -19.2 | 177.5 | -66.1 | -174.5 | 176.9 | 179.3 | 0 | 116.6 | N281 | N281-K283 PolarHBondContact O-N 3.08Å; N281-K283 VanDerWaalsContact O-N 3.11Å |
| 284 | K | 40.8 | Very low | 75.9 | Confident | 198 Ų | 198 | 72.8 Ų | 72.8 | 86% | 0.861 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -98.5 | -5.5 | 171.7 | -81.5 | -174.3 | 175.7 | 177.4 | 0 | 114 | N281 A282 | N281-K284 HydrophobicContact CB-CB 4.47Å; N281-K284 PolarHBondContact O-N 2.65Å; A282-K284 PolarHBondContact O-N 3.14Å |
| 285 | S | 40.8 | Very low | 76 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -130.2 | 12.7 | 174.9 | 70.6 | 0 | 0 | 0 | 0 | 114.5 | A282 | A282-S285 CarbonylContact O-C 3.54Å; A282-S285 VanDerWaalsContact O-C 3.29Å; A282-S285 WeakPolarHBondContact O-CA 3.39Å; A282-S285 PolarHBondContact O-N 3.42Å |
| 286 | S | 48.4 | Very low | 76.1 | Confident | 77 Ų | 77 | 64.5 Ų | 64.5 | 54% | 0.538 | 34% | 0.335 | S | S | . | . | trans | -122.2 | 29.7 | -173.7 | 78.5 | 0 | 0 | 0 | 0 | 113.6 | A282 | A282-S286 VanDerWaalsContact C-OG 3.31Å; A282-S286 WeakPolarHBondContact O-CA 3.19Å; A282-S286 WeakPolarHBondContact O-CB 3.34Å; A282-S286 PolarHBondContact O-N 2.82Å; A282-S286 PolarHBondContact O-OG 2.88Å | ||
| 287 | G | 61 | Low | 76 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -74.5 | 150.2 | 145.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | G289 | G287-G289 PolarHBondContact O-N 2.83Š|
| 288 | R | 75.6 | Confident | 76 | Confident | 63 Ų | 63 | 62 Ų | 62 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | trans | -73.3 | 30.3 | 170.7 | -74.9 | 166.8 | 165.6 | -117.3 | 19.1 | 112.3 | L314 V387 I388 L422 C423 D424 | R288-L314 WeakPolarHBondContact O-CD2 3.43Å; R288-V387 PolarHBondContact NH1-O 3.36Å; R288-I388 VanDerWaalsContact CB-O 3.28Å; R288-I388 WeakPolarHBondContact CB-O 3.17Å; R288-I388 WeakPolarHBondContact CD-O 3.25Å; R288-I388 WeakPolarHBondContact CG-O 3.07Å; R288-I388 PolarHBondContact NH1-O 3.31Å; R288-L422 HydrophobicContact CB-CB 3.74Å; R288-L422 WeakPolarHBondContact O-CD1 3.46Å; R288-C423 WeakPolarHBondContact CD-O 3.33Å; R288-D424 IonicContact CZ-OD1 3.71Å; R288-D424 IonicContact NE-OD1 3.72Å; R288-D424 PolarHBondContact NE-OD1 2.89Å; R288-D424 IonicContact NH2-OD1 2.76Å; R288-D424 PolarHBondContact NH2-OD1 2.84Å | ||
| 289 | G | 86.4 | Confident | 76 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | trans | 77 | -176.2 | -161.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G287 R312 H313 L422 | G287-G289 PolarHBondContact O-N 2.83Å; G289-R312 CarbonylContact C-O 3.41Å; G289-R312 VanDerWaalsContact CA-O 3.23Å; G289-R312 WeakPolarHBondContact CA-O 3.36Å; G289-H313 WeakPolarHBondContact CA-O 3.48Å; G289-H313 PolarHBondContact N-O 2.89Å; G289-L422 WeakPolarHBondContact O-CB 3.47Å; G289-L422 PolarHBondContact O-N 3.43Å | ||
| 290 | E | 92.1 | Very high | 76.3 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.9 | 173 | -62.8 | 169.2 | 111.7 | 0 | 0 | 109.5 | A311 R312 H313 W419 H420 M421 | E290-A311 CarbonylContact O-C 3.56Å; E290-A311 WeakPolarHBondContact O-CA 3.15Å; E290-R312 HydrophobicContact CB-CG 4.27Å; E290-R312 PolarHBondContact N-O 2.99Å; E290-R312 PolarHBondContact O-N 2.81Å; E290-R312 IonicContact OE1-NH2 2.77Å; E290-R312 PolarHBondContact OE1-NH2 2.79Å; E290-R312 IonicContact OE2-CZ 3.08Å; E290-R312 IonicContact OE2-NE 2.64Å; E290-R312 PolarHBondContact OE2-NE 2.86Å; E290-R312 IonicContact OE2-NH2 2.72Å; E290-R312 PolarHBondContact OE2-NH2 3.47Å; E290-H313 IonicContact OE2-ND1 2.82Å; E290-W419 HydrophobicContact CB-CE3 3.77Å; E290-W419 HydrophobicContact CB-CZ3 4.13Å; E290-H420 CarbonylContact C-O 3.51Å; E290-H420 WeakPolarHBondContact CA-O 3.31Å; E290-H420 WeakPolarHBondContact CB-O 3.42Å; E290-M421 HydrophobicContact CG-CG 4.3Å |
| 291 | L | 95.7 | Very high | 77.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.7 | 176.8 | -169.2 | 68.7 | 0 | 0 | 0 | 110.2 | V293 V308 A311 V327 F374 V376 L391 H420 L422 | L291-V293 HydrophobicContact CD2-CG1 3.56Å; L291-V293 HydrophobicContact CG-CG1 3.71Å; L291-V308 HydrophobicContact CD1-CG1 4.22Å; L291-A311 HydrophobicContact CD1-CB 3.86Å; L291-V327 HydrophobicContact CD1-CG2 4.2Å; L291-V327 HydrophobicContact CD2-CG1 4.33Å; L291-F374 HydrophobicContact CD2-CB 3.83Å; L291-F374 HydrophobicContact CD2-CD1 4.1Å; L291-F374 HydrophobicContact CD2-CG 4.07Å; L291-V376 HydrophobicContact CD1-CG2 4.48Å; L291-V376 HydrophobicContact CD2-CG2 4.36Å; L291-L391 HydrophobicContact CD2-CD2 4.29Å; L291-H420 PolarHBondContact N-O 3.21Å; L291-H420 PolarHBondContact O-N 3.07Å; L291-L422 HydrophobicContact CB-CD1 4.41Å; L291-L422 HydrophobicContact CB-CD2 4.2Å; L291-L422 HydrophobicContact CB-CG 4.37Å |
| 292 | L | 97.3 | Very high | 79.3 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 112.3 | 168.9 | -178.5 | 59 | 0 | 0 | 0 | 108.3 | L309 K310 A417 K418 W419 | L292-L309 HydrophobicContact CB-CB 4.37Å; L292-L309 HydrophobicContact CD2-CB 4.12Å; L292-L309 HydrophobicContact CD2-CD1 4.04Å; L292-L309 HydrophobicContact CG-CB 4.01Å; L292-L309 HydrophobicContact CG-CD1 3.86Å; L292-L309 WeakPolarHBondContact O-CB 3.18Å; L292-L309 PolarHBondContact O-N 2.88Å; L292-L309 VanDerWaalsContact O-N 3.08Å; L292-K310 HydrophobicContact CB-CG 4.06Å; L292-K310 WeakPolarHBondContact CB-O 3.26Å; L292-K310 HydrophobicContact CD2-CD 4.45Å; L292-K310 HydrophobicContact CD2-CG 3.98Å; L292-K310 PolarHBondContact N-O 2.86Å; L292-K310 PolarHBondContact O-N 2.97Å; L292-A417 HydrophobicContact CD1-CB 4.46Å; L292-K418 VanDerWaalsContact CD1-C 3.41Å; L292-K418 WeakPolarHBondContact CD1-O 3.17Å; L292-W419 HydrophobicContact CB-CD2 3.78Å; L292-W419 HydrophobicContact CB-CE3 3.66Å; L292-W419 HydrophobicContact CB-CH2 3.9Å; L292-W419 HydrophobicContact CB-CZ2 4.01Å; L292-W419 HydrophobicContact CB-CZ3 3.71Å; L292-W419 HydrophobicContact CD1-CD2 4.25Å; L292-W419 HydrophobicContact CD1-CG 4.18Å; L292-W419 HydrophobicContact CD2-CZ2 4.14Å; L292-W419 HydrophobicContact CG-CD2 4.45Å |
| 293 | V | 97.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 152.4 | 174.7 | -60 | 0 | 0 | 0 | 0 | 109.9 | L291 L295 V307 F374 L391 L393 A417 K418 | L291-V293 HydrophobicContact CD2-CG1 3.56Å; L291-V293 HydrophobicContact CG-CG1 3.71Å; V293-L295 HydrophobicContact CB-CD1 4.15Å; V293-L295 HydrophobicContact CG2-CD1 3.73Å; V293-V307 WeakPolarHBondContact CA-O 3.35Å; V293-F374 HydrophobicContact CB-CE1 4.28Å; V293-F374 HydrophobicContact CB-CZ 4.18Å; V293-F374 HydrophobicContact CG1-CD1 3.95Å; V293-F374 HydrophobicContact CG1-CE1 3.67Å; V293-F374 HydrophobicContact CG1-CE2 4.45Å; V293-F374 HydrophobicContact CG1-CG 4.45Å; V293-F374 HydrophobicContact CG1-CZ 3.95Å; V293-F374 HydrophobicContact CG2-CZ 4.35Å; V293-L391 HydrophobicContact CG1-CD2 4.48Å; V293-L391 HydrophobicContact CG2-CD2 4.29Å; V293-L393 HydrophobicContact CG2-CD1 4.02Å; V293-A417 WeakPolarHBondContact O-CA 3.36Å; V293-K418 PolarHBondContact N-O 3.38Å; V293-K418 VanDerWaalsContact N-O 3.16Å; V293-K418 PolarHBondContact O-N 3.32Å |
| 294 | S | 97.9 | Very high | 84.3 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.7 | 174.3 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | V306 V307 Q415 I416 | S294-V306 CarbonylContact O-C 3.29Å; S294-V306 WeakPolarHBondContact O-CA 3.47Å; S294-V307 PolarHBondContact N-O 3.2Å; S294-V307 PolarHBondContact O-N 3.32Å; S294-Q415 VanDerWaalsContact C-NE2 3.34Å; S294-Q415 WeakPolarHBondContact OG-CG 3.46Å; S294-Q415 PolarHBondContact OG-NE2 2.87Å; S294-I416 CarbonylContact C-O 3.42Å; S294-I416 WeakPolarHBondContact CA-O 3.18Å; S294-I416 WeakPolarHBondContact CB-O 3.08Å; S294-I416 VanDerWaalsContact OG-C 3.31Å; S294-I416 PolarHBondContact OG-O 2.82Å |
| 295 | L | 97.4 | Very high | 87 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.5 | -177.6 | -75.3 | 82.9 | 0 | 0 | 0 | 110.5 | V293 L304 T305 V306 F374 L393 W405 I408 Q415 I416 | V293-L295 HydrophobicContact CB-CD1 4.15Å; V293-L295 HydrophobicContact CG2-CD1 3.73Å; L295-L304 HydrophobicContact CD2-CD1 4.47Å; L295-T305 CarbonylContact C-O 3.39Å; L295-T305 WeakPolarHBondContact CA-O 3.42Å; L295-V306 HydrophobicContact CG-CG2 4.32Å; L295-F374 HydrophobicContact CD1-CZ 4.48Å; L295-L393 HydrophobicContact CD1-CD1 3.38Å; L295-L393 HydrophobicContact CD2-CD1 3.67Å; L295-L393 HydrophobicContact CG-CD1 4.21Å; L295-W405 HydrophobicContact CD2-CE3 4.04Å; L295-W405 HydrophobicContact CD2-CZ3 3.71Å; L295-I408 HydrophobicContact CB-CD1 4.07Å; L295-I408 HydrophobicContact CB-CG2 3.89Å; L295-I408 HydrophobicContact CD2-CD1 3.92Å; L295-Q415 PolarHBondContact O-NE2 3.35Å; L295-I416 PolarHBondContact N-O 2.91Å; L295-I416 PolarHBondContact O-N 3.37Å |
| 296 | C | 96.5 | Very high | 89.7 | Confident | 15 Ų | 15 | 32.2 Ų | 32.2 | 10% | 0.101 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 118.3 | 172.4 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | T305 R413 Q415 | C296-T305 PolarHBondContact N-O 3.31Å; C296-T305 PolarHBondContact O-N 2.94Å; C296-R413 VanDerWaalsContact SG-C 3.57Å; C296-Q415 HydrophobicContact CB-CB 4.35Å |
| 297 | Y | 95.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 6% | 0.059 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 133.5 | 171.3 | 175.6 | -126.1 | 0 | 0 | 0 | 110.7 | N302 T303 I362 E365 L367 R413 | Y297-N302 PolarHBondContact OH-OD1 2.85Å; Y297-T303 WeakPolarHBondContact CD2-O 3.46Å; Y297-I362 HydrophobicContact CE2-CG1 4.42Å; Y297-E365 PolarHBondContact OH-O 2.89Å; Y297-E365 VanDerWaalsContact OH-O 3.05Å; Y297-L367 HydrophobicContact CD1-CD1 3.48Å; Y297-L367 VanDerWaalsContact CD1-CD1 3.48Å; Y297-L367 HydrophobicContact CD1-CG 4.13Å; Y297-L367 HydrophobicContact CD2-CD1 4.09Å; Y297-L367 HydrophobicContact CD2-CD2 4.06Å; Y297-L367 HydrophobicContact CD2-CG 4.4Å; Y297-L367 HydrophobicContact CE1-CD1 3.85Å; Y297-L367 HydrophobicContact CE1-CG 3.98Å; Y297-L367 HydrophobicContact CE2-CD1 4.44Å; Y297-L367 HydrophobicContact CE2-CD2 3.94Å; Y297-L367 HydrophobicContact CE2-CG 4.29Å; Y297-L367 HydrophobicContact CG-CD1 3.6Å; Y297-L367 HydrophobicContact CG-CD2 4.42Å; Y297-L367 HydrophobicContact CG-CG 4.32Å; Y297-R413 PolarHBondContact O-N 3.06Å |
| 298 | Q | 93.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 27.5 Ų | 27.5 | 35% | 0.35 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 96.3 | 175.1 | -178.1 | 175.1 | -6.1 | 0 | 0 | 109.7 | T300 T301 N302 T303 R413 | Q298-T300 VanDerWaalsContact C-N 3.28Å; Q298-T300 VanDerWaalsContact CG-OG1 3.28Å; Q298-T300 WeakPolarHBondContact CG-OG1 3.19Å; Q298-T300 PolarHBondContact NE2-OG1 2.84Å; Q298-T300 PolarHBondContact O-N 2.6Å; Q298-T301 VanDerWaalsContact CD-OG1 3.26Å; Q298-T301 VanDerWaalsContact CG-OG1 3.24Å; Q298-T301 WeakPolarHBondContact CG-OG1 3.49Å; Q298-T301 PolarHBondContact O-N 3Å; Q298-T301 PolarHBondContact O-OG1 3.33Å; Q298-N302 PolarHBondContact O-N 3Å; Q298-T303 PolarHBondContact N-O 3.49Å; Q298-T303 PolarHBondContact O-N 2.89Å; Q298-R413 HydrophobicContact CG-CG 4.19Å |
| 299 | S | 89.5 | Confident | 94.8 | Very high | 52 Ų | 52 | 26.6 Ų | 26.6 | 36% | 0.364 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -59.4 | -32.7 | -179.2 | 52.8 | 0 | 0 | 0 | 0 | 114 | T301 N302 | S299-T301 PolarHBondContact O-N 3.27Å; S299-T301 VanDerWaalsContact O-N 3.1Å; S299-N302 PolarHBondContact O-N 3.49Å; S299-N302 PolarHBondContact O-OD1 2.93Å |
| 300 | T | 90.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 30.9 Ų | 30.9 | 59% | 0.589 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -62.1 | -20.9 | 179.3 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | Q298 | Q298-T300 VanDerWaalsContact C-N 3.28Å; Q298-T300 VanDerWaalsContact CG-OG1 3.28Å; Q298-T300 WeakPolarHBondContact CG-OG1 3.19Å; Q298-T300 PolarHBondContact NE2-OG1 2.84Å; Q298-T300 PolarHBondContact O-N 2.6Å |
| 301 | T | 91.4 | Very high | 95.2 | Very high | 75 Ų | 75 | 28.9 Ų | 28.9 | 46% | 0.46 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -124.7 | 1.6 | -178.1 | 44 | 0 | 0 | 0 | 0 | 111.9 | Q298 S299 T303 | Q298-T301 VanDerWaalsContact CD-OG1 3.26Å; Q298-T301 VanDerWaalsContact CG-OG1 3.24Å; Q298-T301 WeakPolarHBondContact CG-OG1 3.49Å; Q298-T301 PolarHBondContact O-N 3Å; Q298-T301 PolarHBondContact O-OG1 3.33Å; S299-T301 PolarHBondContact O-N 3.27Å; S299-T301 VanDerWaalsContact O-N 3.1Å; T301-T303 PolarHBondContact O-N 2.88Å; T301-T303 PolarHBondContact OG1-OG1 2.88Å |
| 302 | N | 91.9 | Very high | 94.8 | Very high | 41 Ų | 41 | 33 Ų | 33 | 22% | 0.219 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 41.3 | -168.4 | -67.4 | -37.3 | 0 | 0 | 0 | 113 | Y297 Q298 S299 I362 | Y297-N302 PolarHBondContact OH-OD1 2.85Å; Q298-N302 PolarHBondContact O-N 3Å; S299-N302 PolarHBondContact O-N 3.49Å; S299-N302 PolarHBondContact O-OD1 2.93Å; N302-I362 HydrophobicContact CB-CB 4.46Å; N302-I362 VanDerWaalsContact O-CB 3.28Å; N302-I362 WeakPolarHBondContact O-CB 3.41Å; N302-I362 WeakPolarHBondContact O-CG1 2.96Å; N302-I362 PolarHBondContact O-N 2.84Å |
| 303 | T | 94.3 | Very high | 94.2 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 13% | 0.129 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.3 | 179.3 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | Y297 Q298 T301 V359 F360 | Y297-T303 WeakPolarHBondContact CD2-O 3.46Å; Q298-T303 PolarHBondContact N-O 3.49Å; Q298-T303 PolarHBondContact O-N 2.89Å; T301-T303 PolarHBondContact O-N 2.88Å; T301-T303 PolarHBondContact OG1-OG1 2.88Å; T303-V359 HydrophobicContact CG2-CG1 4.23Å; T303-F360 CarbonylContact C-O 3.59Å; T303-F360 WeakPolarHBondContact CA-O 3.23Å |
| 304 | L | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.3 | 170.7 | -177 | 67.6 | 0 | 0 | 0 | 109.5 | L295 V306 L331 F360 I362 V372 W405 I408 | L295-L304 HydrophobicContact CD2-CD1 4.47Å; L304-V306 HydrophobicContact CD2-CG2 4.11Å; L304-V306 HydrophobicContact CG-CG2 3.98Å; L304-L331 HydrophobicContact CD2-CD1 4.47Å; L304-F360 PolarHBondContact N-O 2.95Å; L304-F360 PolarHBondContact O-N 3.02Å; L304-I362 HydrophobicContact CB-CD1 3.76Å; L304-I362 HydrophobicContact CB-CG1 3.96Å; L304-I362 HydrophobicContact CD2-CD1 4.35Å; L304-V372 HydrophobicContact CD2-CG2 3.63Å; L304-W405 HydrophobicContact CD2-CH2 3.75Å; L304-W405 HydrophobicContact CD2-CZ3 4.1Å; L304-I408 HydrophobicContact CD1-CD1 3.91Å |
| 305 | T | 97.3 | Very high | 92.5 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 121.7 | 173.4 | -63 | 0 | 0 | 0 | 0 | 109.4 | L295 C296 V307 L357 | L295-T305 CarbonylContact C-O 3.39Å; L295-T305 WeakPolarHBondContact CA-O 3.42Å; C296-T305 PolarHBondContact N-O 3.31Å; C296-T305 PolarHBondContact O-N 2.94Å; T305-V307 HydrophobicContact CG2-CG2 4.42Å; T305-L357 HydrophobicContact CG2-CD1 3.82Å; T305-L357 HydrophobicContact CG2-CD2 4.3Å; T305-L357 HydrophobicContact CG2-CG 3.94Å |
| 306 | V | 98.1 | Very high | 91 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.5 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | S294 L295 L304 V329 F358 F360 F374 | S294-V306 CarbonylContact O-C 3.29Å; S294-V306 WeakPolarHBondContact O-CA 3.47Å; L295-V306 HydrophobicContact CG-CG2 4.32Å; L304-V306 HydrophobicContact CD2-CG2 4.11Å; L304-V306 HydrophobicContact CG-CG2 3.98Å; V306-V329 HydrophobicContact CG1-CG1 4.36Å; V306-F358 PolarHBondContact N-O 3.37Å; V306-F358 PolarHBondContact O-N 2.55Å; V306-F360 HydrophobicContact CB-CE2 4.19Å; V306-F360 HydrophobicContact CG2-CD2 4.04Å; V306-F360 HydrophobicContact CG2-CE2 4.02Å; V306-F374 HydrophobicContact CG1-CE1 3.52Å; V306-F374 HydrophobicContact CG1-CZ 3.52Å |
| 307 | V | 98.2 | Very high | 89.2 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.2 | 174.3 | -167.4 | 0 | 0 | 0 | 0 | 109.3 | V293 S294 T305 L309 E356 L357 | V293-V307 WeakPolarHBondContact CA-O 3.35Å; S294-V307 PolarHBondContact N-O 3.2Å; S294-V307 PolarHBondContact O-N 3.32Å; T305-V307 HydrophobicContact CG2-CG2 4.42Å; V307-L309 HydrophobicContact CG1-CD2 3.73Å; V307-L309 HydrophobicContact CG1-CG 4.07Å; V307-L309 PolarHBondContact O-N 2.88Å; V307-E356 WeakPolarHBondContact CA-O 3.49Å; V307-L357 HydrophobicContact CG2-CB 4.23Å; V307-L357 HydrophobicContact CG2-CD1 3.95Å; V307-L357 HydrophobicContact CG2-CG 4.06Å |
| 308 | V | 98.2 | Very high | 87 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 107 | 168.6 | -176.4 | 0 | 0 | 0 | 0 | 106.8 | L291 V327 V329 T343 F354 N355 E356 F358 F374 | L291-V308 HydrophobicContact CD1-CG1 4.22Å; V308-V327 HydrophobicContact CG1-CB 4.2Å; V308-V327 HydrophobicContact CG1-CG1 4.5Å; V308-V327 HydrophobicContact CG1-CG2 3.89Å; V308-V329 HydrophobicContact CG2-CG2 3.79Å; V308-T343 HydrophobicContact CB-CG2 4.03Å; V308-T343 HydrophobicContact CG1-CG2 4.05Å; V308-T343 HydrophobicContact CG2-CG2 4.26Å; V308-F354 HydrophobicContact CB-CB 4.41Å; V308-F354 HydrophobicContact CG1-CB 4.01Å; V308-F354 HydrophobicContact CG1-CD2 3.7Å; V308-F354 HydrophobicContact CG1-CE2 4.47Å; V308-F354 HydrophobicContact CG1-CG 3.99Å; V308-F354 WeakPolarHBondContact O-CB 3.41Å; V308-N355 WeakPolarHBondContact O-CA 3.34Å; V308-N355 PolarHBondContact O-N 2.75Å; V308-E356 PolarHBondContact N-O 3.4Å; V308-E356 PolarHBondContact O-N 3.16Å; V308-F358 HydrophobicContact CG2-CD2 4.2Å; V308-F358 HydrophobicContact CG2-CE2 3.88Å; V308-F374 HydrophobicContact CG2-CD1 4.14Å; V308-F374 HydrophobicContact CG2-CE1 4.01Å |
| 309 | L | 96.4 | Very high | 84.6 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -68.1 | -173.5 | -69.2 | 165.7 | 0 | 0 | 0 | 110.6 | L292 V307 F354 N355 A417 | L292-L309 HydrophobicContact CB-CB 4.37Å; L292-L309 HydrophobicContact CD2-CB 4.12Å; L292-L309 HydrophobicContact CD2-CD1 4.04Å; L292-L309 HydrophobicContact CG-CB 4.01Å; L292-L309 HydrophobicContact CG-CD1 3.86Å; L292-L309 WeakPolarHBondContact O-CB 3.18Å; L292-L309 PolarHBondContact O-N 2.88Å; L292-L309 VanDerWaalsContact O-N 3.08Å; V307-L309 HydrophobicContact CG1-CD2 3.73Å; V307-L309 HydrophobicContact CG1-CG 4.07Å; V307-L309 PolarHBondContact O-N 2.88Å; L309-F354 PolarHBondContact O-N 2.93Å; L309-N355 PolarHBondContact O-N 2.64Å; L309-N355 PolarHBondContact O-OD1 2.75Å; L309-A417 HydrophobicContact CD1-CB 4.25Å |
| 310 | K | 93.3 | Very high | 82.6 | Confident | 93 Ų | 93 | 53.9 Ų | 53.9 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 154.4 | -178.2 | 55.5 | -178.8 | 175 | -177.8 | 0 | 112.5 | L292 A352 V353 W419 | L292-K310 HydrophobicContact CB-CG 4.06Å; L292-K310 WeakPolarHBondContact CB-O 3.26Å; L292-K310 HydrophobicContact CD2-CD 4.45Å; L292-K310 HydrophobicContact CD2-CG 3.98Å; L292-K310 PolarHBondContact N-O 2.86Å; L292-K310 PolarHBondContact O-N 2.97Å; K310-A352 CarbonylContact C-O 3.54Å; K310-A352 WeakPolarHBondContact CA-O 3.1Å; K310-A352 VanDerWaalsContact CB-O 3.3Å; K310-A352 WeakPolarHBondContact CB-O 3.44Å; K310-V353 HydrophobicContact CB-CB 4.46Å; K310-V353 HydrophobicContact CB-CG2 4.11Å; K310-W419 HydrophobicContact CD-CH2 4.26Å; K310-W419 HydrophobicContact CD-CZ2 4.39Å; K310-W419 HydrophobicContact CG-CH2 3.9Å; K310-W419 HydrophobicContact CG-CZ2 4.33Å |
| 311 | A | 93.4 | Very high | 80.8 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 155.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E290 L291 L314 N351 A352 F354 | E290-A311 CarbonylContact O-C 3.56Å; E290-A311 WeakPolarHBondContact O-CA 3.15Å; L291-A311 HydrophobicContact CD1-CB 3.86Å; A311-L314 HydrophobicContact CB-CD1 3.77Å; A311-L314 HydrophobicContact CB-CD2 4Å; A311-L314 HydrophobicContact CB-CG 3.93Å; A311-N351 CarbonylContact O-C 3.5Å; A311-N351 VanDerWaalsContact O-CA 3.32Å; A311-N351 WeakPolarHBondContact O-CA 3.32Å; A311-A352 PolarHBondContact N-O 3.43Å; A311-A352 PolarHBondContact O-N 3.44Å; A311-F354 HydrophobicContact CB-CE2 4.19Å |
| 312 | R | 87.5 | Confident | 79.1 | Confident | 87 Ų | 87 | 51.6 Ų | 51.6 | 33% | 0.328 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 158.6 | 170.5 | 70 | -177.9 | -179.8 | -172.9 | -0.5 | 111.6 | G289 E290 L314 N351 W419 | G289-R312 CarbonylContact C-O 3.41Å; G289-R312 VanDerWaalsContact CA-O 3.23Å; G289-R312 WeakPolarHBondContact CA-O 3.36Å; E290-R312 HydrophobicContact CB-CG 4.27Å; E290-R312 PolarHBondContact N-O 2.99Å; E290-R312 PolarHBondContact O-N 2.81Å; E290-R312 IonicContact OE1-NH2 2.77Å; E290-R312 PolarHBondContact OE1-NH2 2.79Å; E290-R312 IonicContact OE2-CZ 3.08Å; E290-R312 IonicContact OE2-NE 2.64Å; E290-R312 PolarHBondContact OE2-NE 2.86Å; E290-R312 IonicContact OE2-NH2 2.72Å; E290-R312 PolarHBondContact OE2-NH2 3.47Å; R312-L314 PolarHBondContact O-N 3.39Å; R312-N351 VanDerWaalsContact CA-OD1 3.27Å; R312-N351 WeakPolarHBondContact CA-OD1 3.16Å; R312-N351 WeakPolarHBondContact CB-OD1 3.48Å; R312-W419 HydrophobicContact CB-CH2 4.1Å; R312-W419 HydrophobicContact CB-CZ3 4.34Å; R312-W419 HydrophobicContact CG-CE3 4.45Å; R312-W419 HydrophobicContact CG-CH2 3.64Å; R312-W419 HydrophobicContact CG-CZ2 4.45Å; R312-W419 HydrophobicContact CG-CZ3 3.65Å |
| 313 | H | 83.6 | Confident | 78 | Confident | 121 Ų | 121 | 49.8 Ų | 49.8 | 56% | 0.56 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 56.8 | 27.6 | 179.2 | -47.1 | 140 | 0 | 0 | 0 | 113.8 | G289 E290 P350 N351 | G289-H313 WeakPolarHBondContact CA-O 3.48Å; G289-H313 PolarHBondContact N-O 2.89Å; E290-H313 IonicContact OE2-ND1 2.82Å; H313-P350 PolarHBondContact N-O 3.21Å; H313-N351 PolarHBondContact N-OD1 2.78Å |
| 314 | L | 84.6 | Confident | 77.6 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 138.6 | 174.9 | -63 | 175.1 | 0 | 0 | 0 | 109.5 | R288 A311 R312 P325 P350 V376 I388 L422 | R288-L314 WeakPolarHBondContact O-CD2 3.43Å; A311-L314 HydrophobicContact CB-CD1 3.77Å; A311-L314 HydrophobicContact CB-CD2 4Å; A311-L314 HydrophobicContact CB-CG 3.93Å; R312-L314 PolarHBondContact O-N 3.39Å; L314-P325 HydrophobicContact CD1-CB 3.67Å; L314-P325 HydrophobicContact CD1-CG 3.86Å; L314-P350 WeakPolarHBondContact CB-O 3.21Å; L314-P350 PolarHBondContact N-O 3.37Å; L314-P350 VanDerWaalsContact N-O 3.1Å; L314-P350 WeakPolarHBondContact O-CB 3.03Å; L314-V376 HydrophobicContact CD1-CG1 4.19Å; L314-V376 HydrophobicContact CD2-CG1 3.96Å; L314-I388 HydrophobicContact CD2-CG2 3.94Å; L314-L422 HydrophobicContact CD2-CD1 3.79Å |
| 315 | P | 75.6 | Confident | 77.3 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 164.2 | 170.6 | 28.4 | -36.3 | 0 | 0 | 0 | 110.8 | I388 | P315-I388 HydrophobicContact CG-CG2 3.67Š|
| 316 | K | 66.1 | Low | 77.2 | Confident | 104 Ų | 104 | 49.2 Ų | 49.2 | 45% | 0.452 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -101.8 | 139.3 | 179 | -60.3 | -179.8 | 170.7 | -153.2 | 0 | 108.7 | D318 | K316-D318 PolarHBondContact O-N 3.04Š|
| 317 | S | 58.5 | Low | 77.1 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 133.1 | 164.6 | 157.5 | 0 | 0 | 0 | 0 | 110 | V319 G321 D378 E380 | S317-V319 PolarHBondContact O-N 2.93Å; S317-V319 PolarHBondContact OG-N 2.96Å; S317-G321 PolarHBondContact O-N 3.47Å; S317-G321 VanDerWaalsContact O-N 3.16Å; S317-D378 WeakPolarHBondContact CB-OD2 3.47Å; S317-E380 WeakPolarHBondContact CB-OE1 3.37Å; S317-E380 PolarHBondContact OG-OE1 3.21Å |
| 318 | D | 48.8 | Very low | 77 | Confident | 128 Ų | 128 | 50.1 Ų | 50.1 | 68% | 0.684 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.3 | -175.4 | -85.6 | -3.7 | 0 | 0 | 0 | 112.9 | R250 K316 | R250-D318 IonicContact NH1-OD2 2.64Å; R250-D318 PolarHBondContact NH1-OD2 2.96Å; K316-D318 PolarHBondContact O-N 3.04Å |
| 319 | V | 44.9 | Very low | 77 | Confident | 132 Ų | 132 | 50.1 Ų | 50.1 | 80% | 0.8 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -36.3 | -169.3 | -175.3 | 0 | 0 | 0 | 0 | 113 | S317 | S317-V319 PolarHBondContact O-N 2.93Å; S317-V319 PolarHBondContact OG-N 2.96Å |
| 320 | S | 46.5 | Very low | 77.1 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 52% | 0.517 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -30.1 | -172.8 | 174.9 | 0 | 0 | 0 | 0 | 113 | L322 | S320-L322 PolarHBondContact O-N 3.15Å; S320-L322 VanDerWaalsContact O-N 3.08Å; S320-L322 PolarHBondContact OG-O 3.45Å |
| 321 | G | 52.3 | Low | 77.2 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 67 | 0.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | S317 | S317-G321 PolarHBondContact O-N 3.47Å; S317-G321 VanDerWaalsContact O-N 3.16Å |
| 322 | L | 55.3 | Low | 77.3 | Confident | 96 Ų | 96 | 46.1 Ų | 46.1 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | trans | -118.8 | 118.3 | 169.3 | -56.6 | 172.9 | 0 | 0 | 0 | 107 | S320 C348 | S320-L322 PolarHBondContact O-N 3.15Å; S320-L322 VanDerWaalsContact O-N 3.08Å; S320-L322 PolarHBondContact OG-O 3.45Å; L322-C348 HydrophobicContact CB-CB 4.24Å; L322-C348 HydrophobicContact CD2-CB 4.22Å | ||
| 323 | S | 69 | Low | 77.6 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | trans | -98.4 | 141 | 174.7 | 44.4 | 0 | 0 | 0 | 0 | 111 | P325 C348 T349 D378 | S323-P325 WeakPolarHBondContact O-CD 3.49Å; S323-C348 CarbonylContact O-C 3.58Å; S323-C348 WeakPolarHBondContact O-CA 3.23Å; S323-C348 PolarHBondContact O-N 2.98Å; S323-T349 PolarHBondContact O-N 3.2Å; S323-D378 VanDerWaalsContact CA-OD2 3.23Å; S323-D378 WeakPolarHBondContact CA-OD2 3.5Å; S323-D378 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 324 | D | 85.1 | Confident | 77.8 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -109.1 | 65.7 | 176.9 | -82.3 | 8.9 | 0 | 0 | 0 | 109.7 | V345 K346 K347 C348 D378 S379 | D324-V345 HydrophobicContact CB-CG1 3.84Å; D324-V345 WeakPolarHBondContact O-CG1 3.28Å; D324-K346 CarbonylContact C-O 3.45Å; D324-K346 WeakPolarHBondContact CA-O 2.87Å; D324-K347 WeakPolarHBondContact OD1-CA 3.32Å; D324-C348 PolarHBondContact OD1-N 3.04Å; D324-D378 WeakPolarHBondContact CA-OD1 3.4Å; D324-D378 PolarHBondContact N-OD1 2.95Å; D324-S379 WeakPolarHBondContact O-CB 3.39Å; D324-S379 PolarHBondContact O-N 3.12Å | ||
| 325 | P | 90.7 | Very high | 77.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 146.4 | -171.8 | 27.8 | -39.3 | 0 | 0 | 0 | 115.1 | L314 S323 K346 T349 A352 V376 L377 I388 | L314-P325 HydrophobicContact CD1-CB 3.67Å; L314-P325 HydrophobicContact CD1-CG 3.86Å; S323-P325 WeakPolarHBondContact O-CD 3.49Å; P325-K346 WeakPolarHBondContact CD-O 3.46Å; P325-K346 PolarHBondContact O-N 3.01Å; P325-T349 WeakPolarHBondContact CD-O 3.1Å; P325-T349 HydrophobicContact CG-CG2 4.5Å; P325-T349 VanDerWaalsContact CG-O 3.28Å; P325-T349 WeakPolarHBondContact CG-O 3.48Å; P325-A352 HydrophobicContact CB-CB 4.45Å; P325-A352 HydrophobicContact CG-CB 3.66Å; P325-V376 HydrophobicContact CB-CG1 4.47Å; P325-L377 CarbonylContact C-O 3.49Å; P325-L377 VanDerWaalsContact CA-O 3.27Å; P325-L377 WeakPolarHBondContact CA-O 3.12Å; P325-I388 HydrophobicContact CB-CD1 4.31Å |
| 326 | Y | 94.4 | Very high | 78.8 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 157.5 | 165.5 | 73.2 | -71.6 | 0 | 0 | 0 | 111.2 | K328 K342 V345 L377 N385 | Y326-K328 HydrophobicContact CD2-CG 4.44Å; Y326-K328 HydrophobicContact CE2-CD 4.33Å; Y326-K328 VanDerWaalsContact CE2-CE 3.46Å; Y326-K328 HydrophobicContact CE2-CG 3.91Å; Y326-K328 WeakPolarHBondContact OH-CE 3.41Å; Y326-K328 PolarHBondContact OH-NZ 3.4Å; Y326-K342 HydrophobicContact CD2-CB 4.47Å; Y326-V345 HydrophobicContact CD1-CG2 4.22Å; Y326-V345 HydrophobicContact CG-CG2 4.15Å; Y326-L377 HydrophobicContact CD1-CB 4.17Å; Y326-L377 WeakPolarHBondContact CD1-O 3.3Å; Y326-L377 HydrophobicContact CE1-CB 3.65Å; Y326-L377 HydrophobicContact CE2-CD1 4.43Å; Y326-L377 PolarHBondContact N-O 2.87Å; Y326-L377 PolarHBondContact O-N 3.17Å; Y326-N385 PolarHBondContact OH-ND2 2.99Å |
| 327 | V | 96.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.2 | -178.7 | -168.7 | 0 | 0 | 0 | 0 | 110 | L291 V308 V329 K342 T343 F354 F374 L375 V376 | L291-V327 HydrophobicContact CD1-CG2 4.2Å; L291-V327 HydrophobicContact CD2-CG1 4.33Å; V308-V327 HydrophobicContact CG1-CB 4.2Å; V308-V327 HydrophobicContact CG1-CG1 4.5Å; V308-V327 HydrophobicContact CG1-CG2 3.89Å; V327-V329 HydrophobicContact CG1-CG2 4.41Å; V327-K342 CarbonylContact O-C 3.55Å; V327-K342 VanDerWaalsContact O-CA 3.24Å; V327-K342 WeakPolarHBondContact O-CA 3.44Å; V327-T343 HydrophobicContact CB-CG2 3.94Å; V327-T343 HydrophobicContact CG2-CG2 4.44Å; V327-T343 PolarHBondContact N-OG1 2.86Å; V327-T343 PolarHBondContact O-N 3.26Å; V327-F354 HydrophobicContact CG2-CD2 4.21Å; V327-F354 HydrophobicContact CG2-CE1 4.33Å; V327-F354 HydrophobicContact CG2-CE2 3.7Å; V327-F354 HydrophobicContact CG2-CZ 3.78Å; V327-F374 HydrophobicContact CG1-CB 3.99Å; V327-F374 HydrophobicContact CG1-CD1 4.17Å; V327-L375 CarbonylContact C-O 3.56Å; V327-L375 WeakPolarHBondContact CA-O 3.48Å; V327-V376 HydrophobicContact CG2-CG2 4.15Å |
| 328 | K | 97.1 | Very high | 81.8 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.9 | 164.3 | -66.2 | 171.5 | -171 | 145.9 | 0 | 108.2 | Y326 K341 K342 F374 L375 L377 | Y326-K328 HydrophobicContact CD2-CG 4.44Å; Y326-K328 HydrophobicContact CE2-CD 4.33Å; Y326-K328 VanDerWaalsContact CE2-CE 3.46Å; Y326-K328 HydrophobicContact CE2-CG 3.91Å; Y326-K328 WeakPolarHBondContact OH-CE 3.41Å; Y326-K328 PolarHBondContact OH-NZ 3.4Å; K328-K341 WeakPolarHBondContact CA-O 3.31Å; K328-K342 HydrophobicContact CG-CB 4.3Å; K328-F374 WeakPolarHBondContact O-CA 3.08Å; K328-L375 HydrophobicContact CB-CB 4.4Å; K328-L375 PolarHBondContact N-O 3.28Å; K328-L375 PolarHBondContact O-N 2.88Å; K328-L377 HydrophobicContact CB-CD1 4.29Å; K328-L377 HydrophobicContact CD-CD1 3.56Å; K328-L377 HydrophobicContact CG-CD1 3.8Å |
| 329 | V | 97.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 111.9 | 176.2 | -172 | 0 | 0 | 0 | 0 | 107.6 | V306 V308 V327 K340 K341 F358 F360 V372 E373 F374 | V306-V329 HydrophobicContact CG1-CG1 4.36Å; V308-V329 HydrophobicContact CG2-CG2 3.79Å; V327-V329 HydrophobicContact CG1-CG2 4.41Å; V329-K340 CarbonylContact O-C 3.57Å; V329-K340 WeakPolarHBondContact O-CA 3.12Å; V329-K341 PolarHBondContact N-O 3.12Å; V329-K341 PolarHBondContact O-N 3.2Å; V329-F358 HydrophobicContact CB-CD2 4.48Å; V329-F358 HydrophobicContact CG2-CD2 3.86Å; V329-F358 HydrophobicContact CG2-CE2 3.84Å; V329-F360 HydrophobicContact CB-CZ 4.3Å; V329-F360 HydrophobicContact CG1-CE2 3.96Å; V329-F360 HydrophobicContact CG1-CZ 3.81Å; V329-V372 HydrophobicContact CG1-CG1 3.61Å; V329-E373 CarbonylContact C-O 3.52Å; V329-E373 WeakPolarHBondContact CA-O 3.4Å; V329-F374 HydrophobicContact CG1-CD1 4.3Å; V329-F374 HydrophobicContact CG1-CE1 4.03Å; V329-F374 HydrophobicContact CG2-CD1 3.87Å; V329-F374 HydrophobicContact CG2-CE1 4.04Å |
| 330 | N | 97.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.6 | 178.9 | -57.9 | -48.1 | 0 | 0 | 0 | 109 | Y332 R337 S339 K340 V372 E373 | N330-Y332 HydrophobicContact CB-CD2 4.17Å; N330-Y332 HydrophobicContact CB-CE2 3.52Å; N330-R337 HydrophobicContact CB-CG 4.22Å; N330-S339 WeakPolarHBondContact CA-O 3.5Å; N330-K340 WeakPolarHBondContact OD1-CD 3.38Å; N330-K340 VanDerWaalsContact OD1-CG 3.29Å; N330-K340 WeakPolarHBondContact OD1-CG 3.19Å; N330-V372 WeakPolarHBondContact O-CA 3.27Å; N330-E373 HydrophobicContact CB-CB 4.31Å; N330-E373 PolarHBondContact N-O 3.36Å; N330-E373 PolarHBondContact ND2-OE2 3.42Å; N330-E373 PolarHBondContact O-N 3.19Å |
| 331 | L | 96.4 | Very high | 89 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.2 | 172.4 | -176.2 | 70.6 | 0 | 0 | 0 | 109.4 | L304 R337 I338 S339 F360 I362 I370 V372 | L304-L331 HydrophobicContact CD2-CD1 4.47Å; L331-R337 CarbonylContact O-C 3.6Å; L331-R337 WeakPolarHBondContact O-CA 3.32Å; L331-R337 WeakPolarHBondContact O-CG 3.2Å; L331-I338 HydrophobicContact CB-CG1 4.23Å; L331-I338 HydrophobicContact CD2-CD1 3.61Å; L331-I338 HydrophobicContact CD2-CG1 3.9Å; L331-I338 HydrophobicContact CG-CD1 3.93Å; L331-I338 HydrophobicContact CG-CG1 3.86Å; L331-I338 WeakPolarHBondContact O-CG1 3.21Å; L331-I338 PolarHBondContact O-N 2.81Å; L331-S339 PolarHBondContact N-O 2.98Å; L331-S339 PolarHBondContact O-N 2.75Å; L331-F360 HydrophobicContact CB-CD1 4.14Å; L331-F360 HydrophobicContact CB-CE1 4.27Å; L331-F360 HydrophobicContact CD2-CB 3.79Å; L331-F360 HydrophobicContact CD2-CD1 4.01Å; L331-F360 HydrophobicContact CD2-CG 4.08Å; L331-I362 HydrophobicContact CD1-CD1 4.24Å; L331-I362 HydrophobicContact CD2-CD1 3.95Å; L331-I370 HydrophobicContact CD1-CG2 3.8Å; L331-V372 HydrophobicContact CD1-CG2 3.8Å |
| 332 | Y | 94.8 | Very high | 91.1 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144 | 178.9 | -72.6 | -101.2 | 0 | 0 | 0 | 110.8 | N330 K335 K336 R337 I370 S371 E373 | N330-Y332 HydrophobicContact CB-CD2 4.17Å; N330-Y332 HydrophobicContact CB-CE2 3.52Å; Y332-K335 WeakPolarHBondContact CD1-O 3.34Å; Y332-K336 VanDerWaalsContact CA-O 3.3Å; Y332-K336 WeakPolarHBondContact CA-O 3.44Å; Y332-R337 HydrophobicContact CD1-CB 3.93Å; Y332-R337 HydrophobicContact CD2-CG 4.5Å; Y332-R337 HydrophobicContact CE1-CB 3.6Å; Y332-R337 HydrophobicContact CE1-CG 4.33Å; Y332-R337 HydrophobicContact CE2-CB 4.33Å; Y332-R337 HydrophobicContact CE2-CG 4.16Å; Y332-R337 HydrophobicContact CG-CB 4.42Å; Y332-I370 WeakPolarHBondContact O-CA 3.08Å; Y332-S371 PolarHBondContact N-O 3.21Å; Y332-S371 PolarHBondContact O-N 3.38Å; Y332-E373 HydrophobicContact CD2-CB 4.38Å; Y332-E373 HydrophobicContact CE2-CB 4.05Å |
| 333 | H | 93.4 | Very high | 93.1 | Very high | 45 Ų | 45 | 55.2 Ų | 55.2 | 21% | 0.208 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128.8 | 169.7 | 177.4 | -105.5 | 0 | 0 | 0 | 107.7 | K335 K336 I338 P363 E369 I370 | H333-K335 PolarHBondContact O-N 2.87Å; H333-K336 PolarHBondContact N-O 2.49Å; H333-K336 WeakPolarHBondContact O-CB 3.25Å; H333-K336 PolarHBondContact O-N 2.91Å; H333-I338 HydrophobicContact CB-CD1 3.86Å; H333-I338 HydrophobicContact CB-CG1 4.29Å; H333-I338 HydrophobicContact CB-CG2 4.03Å; H333-P363 HydrophobicContact CB-CG 4.37Å; H333-E369 WeakPolarHBondContact CA-O 3.31Å; H333-E369 IonicContact CE1-OE2 3.98Å; H333-E369 IonicContact NE2-OE2 3.46Å; H333-I370 HydrophobicContact CB-CD1 3.91Å; H333-I370 VanDerWaalsContact CD2-CD1 3.49Å; H333-I370 WeakPolarHBondContact CD2-CD1 3.41Å |
| 334 | A | 89.1 | Confident | 94.3 | Very high | 58 Ų | 58 | 61.6 Ų | 61.6 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 44.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K336 E369 | A334-K336 PolarHBondContact O-N 3.06Å; A334-E369 PolarHBondContact N-O 2.87Å; A334-E369 VanDerWaalsContact N-O 3.07Å |
| 335 | K | 86.9 | Confident | 94.5 | Very high | 196 Ų | 196 | 63.2 Ų | 63.2 | 85% | 0.852 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | -0.1 | -174.5 | -52.5 | 175.6 | -176.5 | 174.8 | 0 | 116.2 | Y332 H333 | Y332-K335 WeakPolarHBondContact CD1-O 3.34Å; H333-K335 PolarHBondContact O-N 2.87Å |
| 336 | K | 92.6 | Very high | 94.4 | Very high | 155 Ų | 155 | 65.8 Ų | 65.8 | 67% | 0.674 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.8 | 172.4 | -175 | 178.3 | 179.5 | -179 | 0 | 110.3 | Y332 H333 A334 I338 | Y332-K336 VanDerWaalsContact CA-O 3.3Å; Y332-K336 WeakPolarHBondContact CA-O 3.44Å; H333-K336 PolarHBondContact N-O 2.49Å; H333-K336 WeakPolarHBondContact O-CB 3.25Å; H333-K336 PolarHBondContact O-N 2.91Å; A334-K336 PolarHBondContact O-N 3.06Å; K336-I338 PolarHBondContact O-N 3.2Å |
| 337 | R | 95.1 | Very high | 93.7 | Very high | 128 Ų | 128 | 71.8 Ų | 71.8 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 117.5 | 174.4 | -168.9 | 178.6 | 63.5 | -145.4 | -8.4 | 109.8 | N330 L331 Y332 S339 | N330-R337 HydrophobicContact CB-CG 4.22Å; L331-R337 CarbonylContact O-C 3.6Å; L331-R337 WeakPolarHBondContact O-CA 3.32Å; L331-R337 WeakPolarHBondContact O-CG 3.2Å; Y332-R337 HydrophobicContact CD1-CB 3.93Å; Y332-R337 HydrophobicContact CD2-CG 4.5Å; Y332-R337 HydrophobicContact CE1-CB 3.6Å; Y332-R337 HydrophobicContact CE1-CG 4.33Å; Y332-R337 HydrophobicContact CE2-CB 4.33Å; Y332-R337 HydrophobicContact CE2-CG 4.16Å; Y332-R337 HydrophobicContact CG-CB 4.42Å; R337-S339 WeakPolarHBondContact CG-O 2.86Å |
| 338 | I | 94.4 | Very high | 92.6 | Very high | 73 Ų | 73 | 75.1 Ų | 75.1 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -27.2 | -178.8 | 55.8 | 164.6 | 0 | 0 | 0 | 113.3 | L331 H333 K336 P363 | L331-I338 HydrophobicContact CB-CG1 4.23Å; L331-I338 HydrophobicContact CD2-CD1 3.61Å; L331-I338 HydrophobicContact CD2-CG1 3.9Å; L331-I338 HydrophobicContact CG-CD1 3.93Å; L331-I338 HydrophobicContact CG-CG1 3.86Å; L331-I338 WeakPolarHBondContact O-CG1 3.21Å; L331-I338 PolarHBondContact O-N 2.81Å; H333-I338 HydrophobicContact CB-CD1 3.86Å; H333-I338 HydrophobicContact CB-CG1 4.29Å; H333-I338 HydrophobicContact CB-CG2 4.03Å; K336-I338 PolarHBondContact O-N 3.2Å; I338-P363 HydrophobicContact CD1-CG 4.05Å |
| 339 | S | 95.7 | Very high | 91.6 | Very high | 37 Ų | 37 | 75 Ų | 75 | 26% | 0.259 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 157.9 | 175.8 | -161.7 | 0 | 0 | 0 | 0 | 112.1 | N330 L331 R337 | N330-S339 WeakPolarHBondContact CA-O 3.5Å; L331-S339 PolarHBondContact N-O 2.98Å; L331-S339 PolarHBondContact O-N 2.75Å; R337-S339 WeakPolarHBondContact CG-O 2.86Å |
| 340 | K | 96.6 | Very high | 90.6 | Very high | 112 Ų | 112 | 77.1 Ų | 77.1 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 120.6 | 179 | 174.2 | 171.7 | 178.1 | -173 | 0 | 110.2 | V329 N330 | V329-K340 CarbonylContact O-C 3.57Å; V329-K340 WeakPolarHBondContact O-CA 3.12Å; N330-K340 WeakPolarHBondContact OD1-CD 3.38Å; N330-K340 VanDerWaalsContact OD1-CG 3.29Å; N330-K340 WeakPolarHBondContact OD1-CG 3.19Å |
| 341 | K | 97.4 | Very high | 90 | Very high | 80 Ų | 80 | 81.1 Ų | 81.1 | 35% | 0.348 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 166.8 | 173.3 | -61.8 | -174.2 | 179.6 | -175.9 | 0 | 109.3 | K328 V329 F358 V359 F360 | K328-K341 WeakPolarHBondContact CA-O 3.31Å; V329-K341 PolarHBondContact N-O 3.12Å; V329-K341 PolarHBondContact O-N 3.2Å; K341-F358 HydrophobicContact CB-CD1 3.65Å; K341-F358 HydrophobicContact CB-CE1 3.89Å; K341-F358 HydrophobicContact CB-CG 4.15Å; K341-F358 HydrophobicContact CD-CB 4.04Å; K341-F358 HydrophobicContact CD-CD1 3.73Å; K341-F358 HydrophobicContact CD-CG 4.21Å; K341-F358 HydrophobicContact CG-CD1 4.26Å; K341-V359 PolarHBondContact NZ-O 3.42Å; K341-F360 HydrophobicContact CB-CE1 4.49Å; K341-F360 HydrophobicContact CB-CZ 4.23Å; K341-F360 HydrophobicContact CD-CD1 4.49Å; K341-F360 HydrophobicContact CD-CE1 3.8Å; K341-F360 HydrophobicContact CD-CZ 3.91Å; K341-F360 HydrophobicContact CG-CE1 3.88Å; K341-F360 HydrophobicContact CG-CZ 4.06Å |
| 342 | K | 96.6 | Very high | 89.6 | Confident | 141 Ų | 141 | 81 Ų | 81 | 61% | 0.613 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 149.3 | 177.3 | 66.9 | 174.6 | -175.5 | 172.8 | 0 | 110.4 | Y326 V327 K328 F358 | Y326-K342 HydrophobicContact CD2-CB 4.47Å; V327-K342 CarbonylContact O-C 3.55Å; V327-K342 VanDerWaalsContact O-CA 3.24Å; V327-K342 WeakPolarHBondContact O-CA 3.44Å; K328-K342 HydrophobicContact CG-CB 4.3Å; K342-F358 WeakPolarHBondContact O-CZ 3.47Å |
| 343 | T | 97.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 82.1 Ų | 82.1 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 170.1 | 170.1 | 68 | 0 | 0 | 0 | 0 | 111.3 | V308 V327 F354 E356 F358 | V308-T343 HydrophobicContact CB-CG2 4.03Å; V308-T343 HydrophobicContact CG1-CG2 4.05Å; V308-T343 HydrophobicContact CG2-CG2 4.26Å; V327-T343 HydrophobicContact CB-CG2 3.94Å; V327-T343 HydrophobicContact CG2-CG2 4.44Å; V327-T343 PolarHBondContact N-OG1 2.86Å; V327-T343 PolarHBondContact O-N 3.26Å; T343-F354 HydrophobicContact CG2-CB 4.21Å; T343-F354 HydrophobicContact CG2-CD1 3.94Å; T343-F354 HydrophobicContact CG2-CG 4.12Å; T343-F354 WeakPolarHBondContact OG1-CD1 3.25Å; T343-F354 WeakPolarHBondContact OG1-CE1 3.43Å; T343-E356 WeakPolarHBondContact CA-OE2 3.47Å; T343-E356 WeakPolarHBondContact CB-OE1 3.41Å; T343-E356 HydrophobicContact CG2-CB 4.29Å; T343-F358 HydrophobicContact CG2-CE2 3.94Å; T343-F358 HydrophobicContact CG2-CZ 3.96Å |
| 344 | H | 93.9 | Very high | 89.6 | Confident | 136 Ų | 136 | 80.4 Ų | 80.4 | 63% | 0.63 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 153.9 | 160.8 | -64.6 | 72.9 | 0 | 0 | 0 | 110.5 | E356 | H344-E356 WeakPolarHBondContact CB-OE1 3.33Å; H344-E356 IonicContact CE1-OE2 3.52Å; H344-E356 IonicContact CG-OE1 3.15Å; H344-E356 IonicContact CG-OE2 3.84Å; H344-E356 VanDerWaalsContact N-CD 3.35Å; H344-E356 PolarHBondContact N-OE1 2.93Å; H344-E356 PolarHBondContact N-OE2 3.15Å; H344-E356 IonicContact ND1-OE1 3.82Å; H344-E356 IonicContact ND1-OE2 2.71Å; H344-E356 PolarHBondContact ND1-OE2 2.76Å |
| 345 | V | 90.9 | Very high | 89.9 | Confident | 56 Ų | 56 | 82.7 Ų | 82.7 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 128 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | D324 Y326 | D324-V345 HydrophobicContact CB-CG1 3.84Å; D324-V345 WeakPolarHBondContact O-CG1 3.28Å; Y326-V345 HydrophobicContact CD1-CG2 4.22Å; Y326-V345 HydrophobicContact CG-CG2 4.15Å |
| 346 | K | 88.1 | Confident | 90.4 | Very high | 54 Ų | 54 | 74.6 Ų | 74.6 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 116.7 | 175.2 | -54.5 | -64.7 | 166.1 | 143.9 | 0 | 107.4 | D324 P325 T349 A352 V353 F354 E356 | D324-K346 CarbonylContact C-O 3.45Å; D324-K346 WeakPolarHBondContact CA-O 2.87Å; P325-K346 WeakPolarHBondContact CD-O 3.46Å; P325-K346 PolarHBondContact O-N 3.01Å; K346-T349 HydrophobicContact CB-CG2 3.98Å; K346-A352 HydrophobicContact CB-CB 4.01Å; K346-A352 HydrophobicContact CG-CB 4.2Å; K346-V353 VanDerWaalsContact CD-O 3.29Å; K346-V353 WeakPolarHBondContact CD-O 3.46Å; K346-V353 WeakPolarHBondContact CE-O 3.39Å; K346-V353 PolarHBondContact NZ-O 2.56Å; K346-F354 HydrophobicContact CB-CE1 4.4Å; K346-F354 HydrophobicContact CD-CD1 4.42Å; K346-F354 HydrophobicContact CG-CD1 3.71Å; K346-F354 HydrophobicContact CG-CE1 3.53Å; K346-F354 HydrophobicContact CG-CZ 4.34Å; K346-F354 PolarHBondContact NZ-O 3.12Å; K346-E356 IonicContact NZ-OE1 3.67Å |
| 347 | K | 80.2 | Confident | 90.7 | Very high | 140 Ų | 140 | 72.1 Ų | 72.1 | 61% | 0.609 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 145.2 | -169.9 | -63.6 | -179 | 178.3 | 170.8 | 0 | 112.9 | D324 T349 | D324-K347 WeakPolarHBondContact OD1-CA 3.32Å; K347-T349 VanDerWaalsContact C-N 3.31Å; K347-T349 PolarHBondContact O-N 2.84Å |
| 348 | C | 73.1 | Confident | 90.8 | Very high | 70 Ų | 70 | 67 Ų | 67 | 47% | 0.473 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.7 | 167 | -56.7 | 0 | 0 | 0 | 0 | 115.1 | L322 S323 D324 | L322-C348 HydrophobicContact CB-CB 4.24Å; L322-C348 HydrophobicContact CD2-CB 4.22Å; S323-C348 CarbonylContact O-C 3.58Å; S323-C348 WeakPolarHBondContact O-CA 3.23Å; S323-C348 PolarHBondContact O-N 2.98Å; D324-C348 PolarHBondContact OD1-N 3.04Å |
| 349 | T | 75.4 | Confident | 90.9 | Very high | 36 Ų | 36 | 66.2 Ų | 66.2 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | trans | -140.5 | 126 | -174.9 | -178.6 | 0 | 0 | 0 | 0 | 114.7 | S323 P325 K346 K347 N351 A352 | S323-T349 PolarHBondContact O-N 3.2Å; P325-T349 WeakPolarHBondContact CD-O 3.1Å; P325-T349 HydrophobicContact CG-CG2 4.5Å; P325-T349 VanDerWaalsContact CG-O 3.28Å; P325-T349 WeakPolarHBondContact CG-O 3.48Å; K346-T349 HydrophobicContact CB-CG2 3.98Å; K347-T349 VanDerWaalsContact C-N 3.31Å; K347-T349 PolarHBondContact O-N 2.84Å; T349-N351 PolarHBondContact O-N 2.83Å; T349-N351 VanDerWaalsContact OG1-C 3.32Å; T349-N351 PolarHBondContact OG1-N 3.22Å; T349-N351 VanDerWaalsContact OG1-N 3.11Å; T349-N351 PolarHBondContact OG1-O 3.28Å; T349-A352 HydrophobicContact CG2-CB 4.05Å | ||
| 350 | P | 76.8 | Confident | 90.9 | Very high | 44 Ų | 44 | 64.7 Ų | 64.7 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -80.3 | -5.9 | 170.1 | 35 | -36.1 | 0 | 0 | 0 | 113.1 | H313 L314 | H313-P350 PolarHBondContact N-O 3.21Å; L314-P350 WeakPolarHBondContact CB-O 3.21Å; L314-P350 PolarHBondContact N-O 3.37Å; L314-P350 VanDerWaalsContact N-O 3.1Å; L314-P350 WeakPolarHBondContact O-CB 3.03Å |
| 351 | N | 84.4 | Confident | 90.8 | Very high | 86 Ų | 86 | 65.3 Ų | 65.3 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -125.7 | 68.5 | -178.6 | -64.4 | -37.9 | 0 | 0 | 0 | 108.8 | A311 R312 H313 T349 | A311-N351 CarbonylContact O-C 3.5Å; A311-N351 VanDerWaalsContact O-CA 3.32Å; A311-N351 WeakPolarHBondContact O-CA 3.32Å; R312-N351 VanDerWaalsContact CA-OD1 3.27Å; R312-N351 WeakPolarHBondContact CA-OD1 3.16Å; R312-N351 WeakPolarHBondContact CB-OD1 3.48Å; H313-N351 PolarHBondContact N-OD1 2.78Å; T349-N351 PolarHBondContact O-N 2.83Å; T349-N351 VanDerWaalsContact OG1-C 3.32Å; T349-N351 PolarHBondContact OG1-N 3.22Å; T349-N351 VanDerWaalsContact OG1-N 3.11Å; T349-N351 PolarHBondContact OG1-O 3.28Å |
| 352 | A | 88.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -75.9 | 130.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K310 A311 P325 K346 T349 F354 | K310-A352 CarbonylContact C-O 3.54Å; K310-A352 WeakPolarHBondContact CA-O 3.1Å; K310-A352 VanDerWaalsContact CB-O 3.3Å; K310-A352 WeakPolarHBondContact CB-O 3.44Å; A311-A352 PolarHBondContact N-O 3.43Å; A311-A352 PolarHBondContact O-N 3.44Å; P325-A352 HydrophobicContact CB-CB 4.45Å; P325-A352 HydrophobicContact CG-CB 3.66Å; K346-A352 HydrophobicContact CB-CB 4.01Å; K346-A352 HydrophobicContact CG-CB 4.2Å; T349-A352 HydrophobicContact CG2-CB 4.05Å; A352-F354 HydrophobicContact CB-CD2 4.47Å; A352-F354 HydrophobicContact CB-CE1 4.16Å; A352-F354 HydrophobicContact CB-CE2 3.63Å; A352-F354 HydrophobicContact CB-CZ 3.45Å; A352-F354 VanDerWaalsContact CB-CZ 3.45Å | ||
| 353 | V | 93 | Very high | 90 | Very high | 73 Ų | 73 | 59.4 Ų | 59.4 | 44% | 0.442 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.9 | 171.2 | -178.6 | 0 | 0 | 0 | 0 | 109 | K310 K346 | K310-V353 HydrophobicContact CB-CB 4.46Å; K310-V353 HydrophobicContact CB-CG2 4.11Å; K346-V353 VanDerWaalsContact CD-O 3.29Å; K346-V353 WeakPolarHBondContact CD-O 3.46Å; K346-V353 WeakPolarHBondContact CE-O 3.39Å; K346-V353 PolarHBondContact NZ-O 2.56Å |
| 354 | F | 95.8 | Very high | 89 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -62.4 | -179 | -58.9 | -75.2 | 0 | 0 | 0 | 110.2 | V308 L309 A311 V327 T343 K346 A352 E356 | V308-F354 HydrophobicContact CB-CB 4.41Å; V308-F354 HydrophobicContact CG1-CB 4.01Å; V308-F354 HydrophobicContact CG1-CD2 3.7Å; V308-F354 HydrophobicContact CG1-CE2 4.47Å; V308-F354 HydrophobicContact CG1-CG 3.99Å; V308-F354 WeakPolarHBondContact O-CB 3.41Å; L309-F354 PolarHBondContact O-N 2.93Å; A311-F354 HydrophobicContact CB-CE2 4.19Å; V327-F354 HydrophobicContact CG2-CD2 4.21Å; V327-F354 HydrophobicContact CG2-CE1 4.33Å; V327-F354 HydrophobicContact CG2-CE2 3.7Å; V327-F354 HydrophobicContact CG2-CZ 3.78Å; T343-F354 HydrophobicContact CG2-CB 4.21Å; T343-F354 HydrophobicContact CG2-CD1 3.94Å; T343-F354 HydrophobicContact CG2-CG 4.12Å; T343-F354 WeakPolarHBondContact OG1-CD1 3.25Å; T343-F354 WeakPolarHBondContact OG1-CE1 3.43Å; K346-F354 HydrophobicContact CB-CE1 4.4Å; K346-F354 HydrophobicContact CD-CD1 4.42Å; K346-F354 HydrophobicContact CG-CD1 3.71Å; K346-F354 HydrophobicContact CG-CE1 3.53Å; K346-F354 HydrophobicContact CG-CZ 4.34Å; K346-F354 PolarHBondContact NZ-O 3.12Å; A352-F354 HydrophobicContact CB-CD2 4.47Å; A352-F354 HydrophobicContact CB-CE1 4.16Å; A352-F354 HydrophobicContact CB-CE2 3.63Å; A352-F354 HydrophobicContact CB-CZ 3.45Å; A352-F354 VanDerWaalsContact CB-CZ 3.45Å; F354-E356 VanDerWaalsContact C-N 3.3Å |
| 355 | N | 95.2 | Very high | 88 | Confident | 106 Ų | 106 | 62.8 Ų | 62.8 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.4 | 44.1 | -171 | -62.9 | -18.9 | 0 | 0 | 0 | 112.6 | V308 L309 | V308-N355 WeakPolarHBondContact O-CA 3.34Å; V308-N355 PolarHBondContact O-N 2.75Å; L309-N355 PolarHBondContact O-N 2.64Å; L309-N355 PolarHBondContact O-OD1 2.75Å |
| 356 | E | 97.8 | Very high | 87.4 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 12% | 0.121 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.3 | -174.8 | -70.2 | 176.8 | -119.4 | 0 | 0 | 110.9 | V307 V308 T343 H344 K346 F354 F358 | V307-E356 WeakPolarHBondContact CA-O 3.49Å; V308-E356 PolarHBondContact N-O 3.4Å; V308-E356 PolarHBondContact O-N 3.16Å; T343-E356 WeakPolarHBondContact CA-OE2 3.47Å; T343-E356 WeakPolarHBondContact CB-OE1 3.41Å; T343-E356 HydrophobicContact CG2-CB 4.29Å; H344-E356 WeakPolarHBondContact CB-OE1 3.33Å; H344-E356 IonicContact CE1-OE2 3.52Å; H344-E356 IonicContact CG-OE1 3.15Å; H344-E356 IonicContact CG-OE2 3.84Å; H344-E356 VanDerWaalsContact N-CD 3.35Å; H344-E356 PolarHBondContact N-OE1 2.93Å; H344-E356 PolarHBondContact N-OE2 3.15Å; H344-E356 IonicContact ND1-OE1 3.82Å; H344-E356 IonicContact ND1-OE2 2.71Å; H344-E356 PolarHBondContact ND1-OE2 2.76Å; K346-E356 IonicContact NZ-OE1 3.67Å; F354-E356 VanDerWaalsContact C-N 3.3Å; E356-F358 HydrophobicContact CB-CE2 4.32Å; E356-F358 HydrophobicContact CB-CZ 4.12Å |
| 357 | L | 97.5 | Very high | 87.4 | Confident | 104 Ų | 104 | 60.3 Ų | 60.3 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.5 | -175.3 | -178.6 | 151.6 | 0 | 0 | 0 | 110.8 | T305 V307 V359 | T305-L357 HydrophobicContact CG2-CD1 3.82Å; T305-L357 HydrophobicContact CG2-CD2 4.3Å; T305-L357 HydrophobicContact CG2-CG 3.94Å; V307-L357 HydrophobicContact CG2-CB 4.23Å; V307-L357 HydrophobicContact CG2-CD1 3.95Å; V307-L357 HydrophobicContact CG2-CG 4.06Å; L357-V359 HydrophobicContact CD2-CG2 3.68Å |
| 358 | F | 97.7 | Very high | 87.7 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 9% | 0.088 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 113 | 178.1 | -57.2 | -63.2 | 0 | 0 | 0 | 109.5 | V306 V308 V329 K341 K342 T343 E356 F360 | V306-F358 PolarHBondContact N-O 3.37Å; V306-F358 PolarHBondContact O-N 2.55Å; V308-F358 HydrophobicContact CG2-CD2 4.2Å; V308-F358 HydrophobicContact CG2-CE2 3.88Å; V329-F358 HydrophobicContact CB-CD2 4.48Å; V329-F358 HydrophobicContact CG2-CD2 3.86Å; V329-F358 HydrophobicContact CG2-CE2 3.84Å; K341-F358 HydrophobicContact CB-CD1 3.65Å; K341-F358 HydrophobicContact CB-CE1 3.89Å; K341-F358 HydrophobicContact CB-CG 4.15Å; K341-F358 HydrophobicContact CD-CB 4.04Å; K341-F358 HydrophobicContact CD-CD1 3.73Å; K341-F358 HydrophobicContact CD-CG 4.21Å; K341-F358 HydrophobicContact CG-CD1 4.26Å; K342-F358 WeakPolarHBondContact O-CZ 3.47Å; T343-F358 HydrophobicContact CG2-CE2 3.94Å; T343-F358 HydrophobicContact CG2-CZ 3.96Å; E356-F358 HydrophobicContact CB-CE2 4.32Å; E356-F358 HydrophobicContact CB-CZ 4.12Å; F358-F360 HydrophobicContact CB-CD2 4.36Å; F358-F360 HydrophobicContact CB-CE2 3.6Å; F358-F360 HydrophobicContact CB-CZ 4.01Å |
| 359 | V | 96.8 | Very high | 88.5 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 139.2 | 167.5 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | T303 K341 L357 | T303-V359 HydrophobicContact CG2-CG1 4.23Å; K341-V359 PolarHBondContact NZ-O 3.42Å; L357-V359 HydrophobicContact CD2-CG2 3.68Å |
| 360 | F | 95.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 137.9 | 171.7 | -61.4 | -88.4 | 0 | 0 | 0 | 110.7 | T303 L304 V306 V329 L331 K341 F358 | T303-F360 CarbonylContact C-O 3.59Å; T303-F360 WeakPolarHBondContact CA-O 3.23Å; L304-F360 PolarHBondContact N-O 2.95Å; L304-F360 PolarHBondContact O-N 3.02Å; V306-F360 HydrophobicContact CB-CE2 4.19Å; V306-F360 HydrophobicContact CG2-CD2 4.04Å; V306-F360 HydrophobicContact CG2-CE2 4.02Å; V329-F360 HydrophobicContact CB-CZ 4.3Å; V329-F360 HydrophobicContact CG1-CE2 3.96Å; V329-F360 HydrophobicContact CG1-CZ 3.81Å; L331-F360 HydrophobicContact CB-CD1 4.14Å; L331-F360 HydrophobicContact CB-CE1 4.27Å; L331-F360 HydrophobicContact CD2-CB 3.79Å; L331-F360 HydrophobicContact CD2-CD1 4.01Å; L331-F360 HydrophobicContact CD2-CG 4.08Å; K341-F360 HydrophobicContact CB-CE1 4.49Å; K341-F360 HydrophobicContact CB-CZ 4.23Å; K341-F360 HydrophobicContact CD-CD1 4.49Å; K341-F360 HydrophobicContact CD-CE1 3.8Å; K341-F360 HydrophobicContact CD-CZ 3.91Å; K341-F360 HydrophobicContact CG-CE1 3.88Å; K341-F360 HydrophobicContact CG-CZ 4.06Å; F358-F360 HydrophobicContact CB-CD2 4.36Å; F358-F360 HydrophobicContact CB-CE2 3.6Å; F358-F360 HydrophobicContact CB-CZ 4.01Å |
| 361 | D | 94.1 | Very high | 90.3 | Very high | 126 Ų | 126 | 60 Ų | 60 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 129 | 172.2 | -43.8 | -57.2 | 0 | 0 | 0 | 108.7 | ||
| 362 | I | 92.9 | Very high | 90.9 | Very high | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | trans | -97.5 | 126.9 | -177 | -55 | -54.1 | 0 | 0 | 0 | 108.5 | Y297 N302 L304 L331 C364 L367 I370 | Y297-I362 HydrophobicContact CE2-CG1 4.42Å; N302-I362 HydrophobicContact CB-CB 4.46Å; N302-I362 VanDerWaalsContact O-CB 3.28Å; N302-I362 WeakPolarHBondContact O-CB 3.41Å; N302-I362 WeakPolarHBondContact O-CG1 2.96Å; N302-I362 PolarHBondContact O-N 2.84Å; L304-I362 HydrophobicContact CB-CD1 3.76Å; L304-I362 HydrophobicContact CB-CG1 3.96Å; L304-I362 HydrophobicContact CD2-CD1 4.35Å; L331-I362 HydrophobicContact CD1-CD1 4.24Å; L331-I362 HydrophobicContact CD2-CD1 3.95Å; I362-C364 VanDerWaalsContact CG2-O 3.27Å; I362-C364 WeakPolarHBondContact CG2-O 3.4Å; I362-C364 PolarHBondContact O-N 3.44Å; I362-L367 HydrophobicContact CG1-CD2 4.5Å; I362-L367 HydrophobicContact CG2-CD2 4.26Å; I362-I370 HydrophobicContact CD1-CG2 4.31Å; I362-I370 HydrophobicContact CG2-CD1 3.71Å; I362-I370 HydrophobicContact CG2-CG1 3.76Å | ||
| 363 | P | 85.8 | Confident | 91.3 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -76.9 | -3.6 | -172.9 | 31.9 | -38 | 0 | 0 | 0 | 114.8 | H333 I338 | H333-P363 HydrophobicContact CB-CG 4.37Å; I338-P363 HydrophobicContact CD1-CG 4.05Å |
| 364 | C | 76.1 | Confident | 91.5 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 37% | 0.365 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -141.5 | 152.7 | -176.6 | -172 | 0 | 0 | 0 | 0 | 109.4 | I362 S366 | I362-C364 VanDerWaalsContact CG2-O 3.27Å; I362-C364 WeakPolarHBondContact CG2-O 3.4Å; I362-C364 PolarHBondContact O-N 3.44Å; C364-S366 VanDerWaalsContact C-N 3.27Å; C364-S366 PolarHBondContact O-N 2.9Å |
| 365 | E | 72.4 | Confident | 91.5 | Very high | 158 Ų | 158 | 54.3 Ų | 54.3 | 74% | 0.738 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -72.4 | -22.1 | 176 | -59.3 | -172.8 | 164.6 | 0 | 0 | 112.5 | Y297 | Y297-E365 PolarHBondContact OH-O 2.89Å; Y297-E365 VanDerWaalsContact OH-O 3.05Å |
| 366 | S | 78.9 | Confident | 91.4 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | trans | -90.3 | 133.6 | 176.5 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | C364 E368 | C364-S366 VanDerWaalsContact C-N 3.27Å; C364-S366 PolarHBondContact O-N 2.9Å; S366-E368 WeakPolarHBondContact OG-CG 3.33Å; S366-E368 PolarHBondContact OG-N 3.25Å | ||
| 367 | L | 86.3 | Confident | 91.1 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -88.6 | 2.8 | 174.1 | -69.8 | -176.8 | 0 | 0 | 0 | 114 | Y297 I362 I370 W405 | Y297-L367 HydrophobicContact CD1-CD1 3.48Å; Y297-L367 VanDerWaalsContact CD1-CD1 3.48Å; Y297-L367 HydrophobicContact CD1-CG 4.13Å; Y297-L367 HydrophobicContact CD2-CD1 4.09Å; Y297-L367 HydrophobicContact CD2-CD2 4.06Å; Y297-L367 HydrophobicContact CD2-CG 4.4Å; Y297-L367 HydrophobicContact CE1-CD1 3.85Å; Y297-L367 HydrophobicContact CE1-CG 3.98Å; Y297-L367 HydrophobicContact CE2-CD1 4.44Å; Y297-L367 HydrophobicContact CE2-CD2 3.94Å; Y297-L367 HydrophobicContact CE2-CG 4.29Å; Y297-L367 HydrophobicContact CG-CD1 3.6Å; Y297-L367 HydrophobicContact CG-CD2 4.42Å; Y297-L367 HydrophobicContact CG-CG 4.32Å; I362-L367 HydrophobicContact CG1-CD2 4.5Å; I362-L367 HydrophobicContact CG2-CD2 4.26Å; L367-I370 HydrophobicContact CD2-CB 4.23Å; L367-I370 HydrophobicContact CD2-CG1 4.25Å; L367-I370 HydrophobicContact CD2-CG2 4.32Å; L367-I370 PolarHBondContact O-N 3.21Å; L367-W405 HydrophobicContact CB-CZ2 4.1Å; L367-W405 HydrophobicContact CD1-CZ2 4.34Å; L367-W405 HydrophobicContact CD2-CZ2 4.13Å; L367-W405 HydrophobicContact CG-CZ2 4.44Å; L367-W405 PolarHBondContact O-NE1 2.99Å |
| 368 | E | 87.5 | Confident | 90.6 | Very high | 146 Ų | 146 | 43.4 Ų | 43.4 | 68% | 0.682 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -41.8 | -176.2 | -69.8 | 175.1 | 176.2 | 0 | 0 | 112.7 | S366 I370 | S366-E368 WeakPolarHBondContact OG-CG 3.33Å; S366-E368 PolarHBondContact OG-N 3.25Å; E368-I370 VanDerWaalsContact C-N 3.32Å |
| 369 | E | 90.4 | Very high | 89.8 | Confident | 114 Ų | 114 | 43.9 Ų | 43.9 | 53% | 0.533 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.2 | 178.2 | -59.1 | -162.6 | 163.3 | 0 | 0 | 113.7 | H333 A334 | H333-E369 WeakPolarHBondContact CA-O 3.31Å; H333-E369 IonicContact CE1-OE2 3.98Å; H333-E369 IonicContact NE2-OE2 3.46Å; A334-E369 PolarHBondContact N-O 2.87Å; A334-E369 VanDerWaalsContact N-O 3.07Å |
| 370 | I | 94.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 136.9 | -177.5 | -61.2 | -70.1 | 0 | 0 | 0 | 110.4 | L331 Y332 H333 I362 L367 E368 W405 | L331-I370 HydrophobicContact CD1-CG2 3.8Å; Y332-I370 WeakPolarHBondContact O-CA 3.08Å; H333-I370 HydrophobicContact CB-CD1 3.91Å; H333-I370 VanDerWaalsContact CD2-CD1 3.49Å; H333-I370 WeakPolarHBondContact CD2-CD1 3.41Å; I362-I370 HydrophobicContact CD1-CG2 4.31Å; I362-I370 HydrophobicContact CG2-CD1 3.71Å; I362-I370 HydrophobicContact CG2-CG1 3.76Å; L367-I370 HydrophobicContact CD2-CB 4.23Å; L367-I370 HydrophobicContact CD2-CG1 4.25Å; L367-I370 HydrophobicContact CD2-CG2 4.32Å; L367-I370 PolarHBondContact O-N 3.21Å; E368-I370 VanDerWaalsContact C-N 3.32Å; I370-W405 HydrophobicContact CB-CH2 4.49Å; I370-W405 HydrophobicContact CB-CZ2 3.96Å; I370-W405 HydrophobicContact CG2-CH2 3.71Å; I370-W405 HydrophobicContact CG2-CZ2 3.67Å |
| 371 | S | 95.3 | Very high | 86.9 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 147.3 | 169.3 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | Y332 L393 | Y332-S371 PolarHBondContact N-O 3.21Å; Y332-S371 PolarHBondContact O-N 3.38Å; S371-L393 CarbonylContact C-O 3.6Å; S371-L393 WeakPolarHBondContact CA-O 3.17Å; S371-L393 VanDerWaalsContact CB-O 3.3Å; S371-L393 WeakPolarHBondContact CB-O 3.08Å |
| 372 | V | 96.8 | Very high | 85 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.3 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | L304 V329 N330 L331 F374 V392 L393 W405 | L304-V372 HydrophobicContact CD2-CG2 3.63Å; V329-V372 HydrophobicContact CG1-CG1 3.61Å; N330-V372 WeakPolarHBondContact O-CA 3.27Å; L331-V372 HydrophobicContact CD1-CG2 3.8Å; V372-F374 HydrophobicContact CB-CE2 4.11Å; V372-F374 HydrophobicContact CB-CZ 4.47Å; V372-F374 HydrophobicContact CG1-CD2 4.22Å; V372-F374 HydrophobicContact CG1-CE1 4.29Å; V372-F374 HydrophobicContact CG1-CE2 3.53Å; V372-F374 HydrophobicContact CG1-CZ 3.58Å; V372-V392 WeakPolarHBondContact O-CA 3.31Å; V372-L393 PolarHBondContact N-O 3.22Å; V372-L393 PolarHBondContact O-N 3.07Å; V372-W405 HydrophobicContact CB-CZ3 4.5Å; V372-W405 HydrophobicContact CG2-CH2 4.01Å; V372-W405 HydrophobicContact CG2-CZ3 3.82Å |
| 373 | E | 96.5 | Very high | 83.5 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.9 | 174.3 | 175.8 | -167.2 | -103.6 | 0 | 0 | 110 | V329 N330 Y332 L375 R390 L391 V392 | V329-E373 CarbonylContact C-O 3.52Å; V329-E373 WeakPolarHBondContact CA-O 3.4Å; N330-E373 HydrophobicContact CB-CB 4.31Å; N330-E373 PolarHBondContact N-O 3.36Å; N330-E373 PolarHBondContact ND2-OE2 3.42Å; N330-E373 PolarHBondContact O-N 3.19Å; Y332-E373 HydrophobicContact CD2-CB 4.38Å; Y332-E373 HydrophobicContact CE2-CB 4.05Å; E373-L375 HydrophobicContact CG-CD2 4.21Å; E373-L375 HydrophobicContact CG-CG 4.15Å; E373-R390 HydrophobicContact CG-CG 4.39Å; E373-R390 IonicContact OE1-CZ 3.28Å; E373-R390 IonicContact OE1-NE 3.11Å; E373-R390 PolarHBondContact OE1-NE 3.05Å; E373-R390 IonicContact OE1-NH2 2.67Å; E373-R390 PolarHBondContact OE1-NH2 3.35Å; E373-L391 CarbonylContact C-O 3.46Å; E373-L391 WeakPolarHBondContact CA-O 3.42Å; E373-V392 HydrophobicContact CB-CG2 4.46Å; E373-V392 HydrophobicContact CG-CG2 4.35Å |
| 374 | F | 97.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.2 | 171.3 | -53.6 | -101.2 | 0 | 0 | 0 | 108.1 | L291 V293 L295 V306 V308 V327 K328 V329 V372 R390 L391 L393 | L291-F374 HydrophobicContact CD2-CB 3.83Å; L291-F374 HydrophobicContact CD2-CD1 4.1Å; L291-F374 HydrophobicContact CD2-CG 4.07Å; V293-F374 HydrophobicContact CB-CE1 4.28Å; V293-F374 HydrophobicContact CB-CZ 4.18Å; V293-F374 HydrophobicContact CG1-CD1 3.95Å; V293-F374 HydrophobicContact CG1-CE1 3.67Å; V293-F374 HydrophobicContact CG1-CE2 4.45Å; V293-F374 HydrophobicContact CG1-CG 4.45Å; V293-F374 HydrophobicContact CG1-CZ 3.95Å; V293-F374 HydrophobicContact CG2-CZ 4.35Å; L295-F374 HydrophobicContact CD1-CZ 4.48Å; V306-F374 HydrophobicContact CG1-CE1 3.52Å; V306-F374 HydrophobicContact CG1-CZ 3.52Å; V308-F374 HydrophobicContact CG2-CD1 4.14Å; V308-F374 HydrophobicContact CG2-CE1 4.01Å; V327-F374 HydrophobicContact CG1-CB 3.99Å; V327-F374 HydrophobicContact CG1-CD1 4.17Å; K328-F374 WeakPolarHBondContact O-CA 3.08Å; V329-F374 HydrophobicContact CG1-CD1 4.3Å; V329-F374 HydrophobicContact CG1-CE1 4.03Å; V329-F374 HydrophobicContact CG2-CD1 3.87Å; V329-F374 HydrophobicContact CG2-CE1 4.04Å; V372-F374 HydrophobicContact CB-CE2 4.11Å; V372-F374 HydrophobicContact CB-CZ 4.47Å; V372-F374 HydrophobicContact CG1-CD2 4.22Å; V372-F374 HydrophobicContact CG1-CE1 4.29Å; V372-F374 HydrophobicContact CG1-CE2 3.53Å; V372-F374 HydrophobicContact CG1-CZ 3.58Å; F374-R390 WeakPolarHBondContact O-CA 3.25Å; F374-L391 HydrophobicContact CB-CB 4.23Å; F374-L391 HydrophobicContact CD2-CB 4.39Å; F374-L391 HydrophobicContact CD2-CD2 3.88Å; F374-L391 HydrophobicContact CD2-CG 4.03Å; F374-L391 HydrophobicContact CE2-CD2 4.41Å; F374-L391 HydrophobicContact CG-CD2 4.39Å; F374-L391 PolarHBondContact N-O 3.14Å; F374-L391 PolarHBondContact O-N 3.47Å; F374-L393 HydrophobicContact CE2-CD1 3.77Å; F374-L393 HydrophobicContact CE2-CG 3.99Å; F374-L393 HydrophobicContact CZ-CD1 4.35Å |
| 375 | L | 95.1 | Very high | 82.8 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.1 | 169.2 | -61.5 | 173 | 0 | 0 | 0 | 107.8 | V327 K328 E373 L377 V387 R390 | V327-L375 CarbonylContact C-O 3.56Å; V327-L375 WeakPolarHBondContact CA-O 3.48Å; K328-L375 HydrophobicContact CB-CB 4.4Å; K328-L375 PolarHBondContact N-O 3.28Å; K328-L375 PolarHBondContact O-N 2.88Å; E373-L375 HydrophobicContact CG-CD2 4.21Å; E373-L375 HydrophobicContact CG-CG 4.15Å; L375-L377 HydrophobicContact CB-CD1 3.89Å; L375-L377 WeakPolarHBondContact O-CD1 3.43Å; L375-V387 HydrophobicContact CD2-CG1 4.41Å; L375-R390 HydrophobicContact CD2-CB 3.95Å; L375-R390 HydrophobicContact CD2-CG 3.73Å |
| 376 | V | 93.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.6 | 169 | -170.9 | 0 | 0 | 0 | 0 | 107.5 | L291 L314 P325 V327 I388 G389 L422 | L291-V376 HydrophobicContact CD1-CG2 4.48Å; L291-V376 HydrophobicContact CD2-CG2 4.36Å; L314-V376 HydrophobicContact CD1-CG1 4.19Å; L314-V376 HydrophobicContact CD2-CG1 3.96Å; P325-V376 HydrophobicContact CB-CG1 4.47Å; V327-V376 HydrophobicContact CG2-CG2 4.15Å; V376-I388 HydrophobicContact CB-CB 4.36Å; V376-I388 HydrophobicContact CG1-CB 4.22Å; V376-I388 HydrophobicContact CG1-CD1 4.29Å; V376-I388 HydrophobicContact CG1-CG2 4.38Å; V376-I388 WeakPolarHBondContact O-CB 3.25Å; V376-I388 PolarHBondContact O-N 3.15Å; V376-G389 PolarHBondContact N-O 3Å; V376-G389 PolarHBondContact O-N 3.28Å; V376-L422 HydrophobicContact CB-CD1 4.34Å; V376-L422 HydrophobicContact CG2-CD1 3.72Å; V376-L422 HydrophobicContact CG2-CD2 3.81Å; V376-L422 HydrophobicContact CG2-CG 4.46Å |
| 377 | L | 91.4 | Very high | 83.6 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.9 | -179.2 | -61.4 | 101.9 | 0 | 0 | 0 | 111.5 | P325 Y326 K328 L375 N385 E386 V387 | P325-L377 CarbonylContact C-O 3.49Å; P325-L377 VanDerWaalsContact CA-O 3.27Å; P325-L377 WeakPolarHBondContact CA-O 3.12Å; Y326-L377 HydrophobicContact CD1-CB 4.17Å; Y326-L377 WeakPolarHBondContact CD1-O 3.3Å; Y326-L377 HydrophobicContact CE1-CB 3.65Å; Y326-L377 HydrophobicContact CE2-CD1 4.43Å; Y326-L377 PolarHBondContact N-O 2.87Å; Y326-L377 PolarHBondContact O-N 3.17Å; K328-L377 HydrophobicContact CB-CD1 4.29Å; K328-L377 HydrophobicContact CD-CD1 3.56Å; K328-L377 HydrophobicContact CG-CD1 3.8Å; L375-L377 HydrophobicContact CB-CD1 3.89Å; L375-L377 WeakPolarHBondContact O-CD1 3.43Å; L377-N385 HydrophobicContact CD2-CB 4.11Å; L377-E386 CarbonylContact C-O 3.5Å; L377-E386 WeakPolarHBondContact CA-O 3.2Å; L377-E386 WeakPolarHBondContact CB-O 3.25Å; L377-V387 HydrophobicContact CD2-CG2 3.79Å; L377-V387 HydrophobicContact CG-CG2 4.22Å |
| 378 | D | 87.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 139.5 | 165.7 | -148.9 | -29.6 | 0 | 0 | 0 | 110.3 | S317 S323 D324 N385 E386 I388 | S317-D378 WeakPolarHBondContact CB-OD2 3.47Å; S323-D378 VanDerWaalsContact CA-OD2 3.23Å; S323-D378 WeakPolarHBondContact CA-OD2 3.5Å; S323-D378 WeakPolarHBondContact CB-OD2 3.49Å; D324-D378 WeakPolarHBondContact CA-OD1 3.4Å; D324-D378 PolarHBondContact N-OD1 2.95Å; D378-N385 WeakPolarHBondContact O-CA 3.49Å; D378-N385 WeakPolarHBondContact O-CB 3.28Å; D378-N385 PolarHBondContact O-OD1 3.43Å; D378-E386 PolarHBondContact N-O 2.98Å; D378-I388 HydrophobicContact CB-CD1 3.98Å; D378-I388 HydrophobicContact CB-CG1 4.25Å |
| 379 | S | 81.6 | Confident | 83.7 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | trans | -105.3 | 67.5 | -176 | -180 | 0 | 0 | 0 | 0 | 111.9 | D324 N385 | D324-S379 WeakPolarHBondContact O-CB 3.39Å; D324-S379 PolarHBondContact O-N 3.12Å; S379-N385 WeakPolarHBondContact CA-OD1 3.18Å | ||
| 380 | E | 72.7 | Confident | 83.9 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | trans | -71.3 | 143 | 178.1 | -69.9 | -169.8 | 168.4 | 0 | 0 | 113.3 | S317 G382 S383 | S317-E380 WeakPolarHBondContact CB-OE1 3.37Å; S317-E380 PolarHBondContact OG-OE1 3.21Å; E380-G382 PolarHBondContact O-N 3.45Å; E380-S383 WeakPolarHBondContact CB-OG 3.08Å; E380-S383 WeakPolarHBondContact OE2-CB 3.34Å; E380-S383 PolarHBondContact OE2-OG 3.32Å | ||
| 381 | R | 58 | Low | 83.9 | Confident | 222 Ų | 222 | 52 Ų | 52 | 84% | 0.838 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -87.3 | 107.2 | 177.1 | -82.4 | -173.9 | -93 | -172.6 | -0.6 | 110.8 | ||
| 382 | G | 54.6 | Low | 83.9 | Confident | 90 Ų | 90 | 52.9 Ų | 52.9 | 93% | 0.928 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 100.9 | -3.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E380 | E380-G382 PolarHBondContact O-N 3.45Š|
| 383 | S | 61.8 | Low | 83.9 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 42% | 0.42 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -112.3 | -177.3 | 173.4 | 77.2 | 0 | 0 | 0 | 0 | 111.3 | E380 | E380-S383 WeakPolarHBondContact CB-OG 3.08Å; E380-S383 WeakPolarHBondContact OE2-CB 3.34Å; E380-S383 PolarHBondContact OE2-OG 3.32Å |
| 384 | R | 68.6 | Low | 83.7 | Confident | 234 Ų | 234 | 52.1 Ų | 52.1 | 88% | 0.883 | 26% | 0.264 | S | S | * | . | trans | -86.5 | 115.8 | 173.2 | 177.1 | 179.7 | 175.4 | 172.5 | -1.8 | 109 | E386 | R384-E386 PolarHBondContact O-N 3.03Å; R384-E386 VanDerWaalsContact O-N 3.14Å | ||
| 385 | N | 78.5 | Confident | 83.4 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 32% | 0.321 | 29% | 0.287 | S | S | . | . | trans | -42.1 | 117.6 | 175.4 | -58 | -64.2 | 0 | 0 | 0 | 112.6 | Y326 L377 D378 S379 | Y326-N385 PolarHBondContact OH-ND2 2.99Å; L377-N385 HydrophobicContact CD2-CB 4.11Å; D378-N385 WeakPolarHBondContact O-CA 3.49Å; D378-N385 WeakPolarHBondContact O-CB 3.28Å; D378-N385 PolarHBondContact O-OD1 3.43Å; S379-N385 WeakPolarHBondContact CA-OD1 3.18Å | ||
| 386 | E | 80.8 | Confident | 83 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | trans | -76.7 | 145.4 | 179.3 | -170.6 | 178 | 179.7 | 0 | 0 | 111.1 | L377 D378 R384 I388 | L377-E386 CarbonylContact C-O 3.5Å; L377-E386 WeakPolarHBondContact CA-O 3.2Å; L377-E386 WeakPolarHBondContact CB-O 3.25Å; D378-E386 PolarHBondContact N-O 2.98Å; R384-E386 PolarHBondContact O-N 3.03Å; R384-E386 VanDerWaalsContact O-N 3.14Å; E386-I388 PolarHBondContact O-N 3.32Å | ||
| 387 | V | 86.8 | Confident | 82.7 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 101.5 | 173.3 | 179.1 | 0 | 0 | 0 | 0 | 109 | R288 L375 L377 | R288-V387 PolarHBondContact NH1-O 3.36Å; L375-V387 HydrophobicContact CD2-CG1 4.41Å; L377-V387 HydrophobicContact CD2-CG2 3.79Å; L377-V387 HydrophobicContact CG-CG2 4.22Å |
| 388 | I | 87.1 | Confident | 82.2 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 5% | 0.051 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | -47.3 | 174.3 | -68.9 | 169.1 | 0 | 0 | 0 | 110.1 | R288 L314 P315 P325 V376 D378 E386 | R288-I388 VanDerWaalsContact CB-O 3.28Å; R288-I388 WeakPolarHBondContact CB-O 3.17Å; R288-I388 WeakPolarHBondContact CD-O 3.25Å; R288-I388 WeakPolarHBondContact CG-O 3.07Å; R288-I388 PolarHBondContact NH1-O 3.31Å; L314-I388 HydrophobicContact CD2-CG2 3.94Å; P315-I388 HydrophobicContact CG-CG2 3.67Å; P325-I388 HydrophobicContact CB-CD1 4.31Å; V376-I388 HydrophobicContact CB-CB 4.36Å; V376-I388 HydrophobicContact CG1-CB 4.22Å; V376-I388 HydrophobicContact CG1-CD1 4.29Å; V376-I388 HydrophobicContact CG1-CG2 4.38Å; V376-I388 WeakPolarHBondContact O-CB 3.25Å; V376-I388 PolarHBondContact O-N 3.15Å; D378-I388 HydrophobicContact CB-CD1 3.98Å; D378-I388 HydrophobicContact CB-CG1 4.25Å; E386-I388 PolarHBondContact O-N 3.32Å |
| 389 | G | 89.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 169.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V376 | V376-G389 PolarHBondContact N-O 3Å; V376-G389 PolarHBondContact O-N 3.28Å |
| 390 | R | 92.8 | Very high | 82.6 | Confident | 83 Ų | 83 | 74.2 Ų | 74.2 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.7 | -170.2 | -177.1 | 169.4 | -175.5 | -98.9 | -2.3 | 111.6 | E373 F374 L375 V392 C423 | E373-R390 HydrophobicContact CG-CG 4.39Å; E373-R390 IonicContact OE1-CZ 3.28Å; E373-R390 IonicContact OE1-NE 3.11Å; E373-R390 PolarHBondContact OE1-NE 3.05Å; E373-R390 IonicContact OE1-NH2 2.67Å; E373-R390 PolarHBondContact OE1-NH2 3.35Å; F374-R390 WeakPolarHBondContact O-CA 3.25Å; L375-R390 HydrophobicContact CD2-CB 3.95Å; L375-R390 HydrophobicContact CD2-CG 3.73Å; R390-V392 HydrophobicContact CG-CG2 4.44Å; R390-V392 VanDerWaalsContact CZ-CG2 3.43Å; R390-C423 PolarHBondContact N-O 3.28Å; R390-C423 PolarHBondContact O-N 2.94Å |
| 391 | L | 95.1 | Very high | 83.5 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.6 | 169.6 | 166.7 | 66.6 | 0 | 0 | 0 | 108.4 | L291 V293 E373 F374 L393 H420 L422 | L291-L391 HydrophobicContact CD2-CD2 4.29Å; V293-L391 HydrophobicContact CG1-CD2 4.48Å; V293-L391 HydrophobicContact CG2-CD2 4.29Å; E373-L391 CarbonylContact C-O 3.46Å; E373-L391 WeakPolarHBondContact CA-O 3.42Å; F374-L391 HydrophobicContact CB-CB 4.23Å; F374-L391 HydrophobicContact CD2-CB 4.39Å; F374-L391 HydrophobicContact CD2-CD2 3.88Å; F374-L391 HydrophobicContact CD2-CG 4.03Å; F374-L391 HydrophobicContact CE2-CD2 4.41Å; F374-L391 HydrophobicContact CG-CD2 4.39Å; F374-L391 PolarHBondContact N-O 3.14Å; F374-L391 PolarHBondContact O-N 3.47Å; L391-L393 HydrophobicContact CD1-CD2 3.95Å; L391-L393 HydrophobicContact CD2-CD2 4.44Å; L391-L393 HydrophobicContact CG-CD2 4.25Å; L391-H420 HydrophobicContact CD1-CB 3.55Å; L391-H420 HydrophobicContact CD2-CB 3.76Å; L391-H420 HydrophobicContact CG-CB 4.28Å; L391-L422 HydrophobicContact CB-CD2 3.95Å |
| 392 | V | 95.6 | Very high | 85.1 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132.1 | 173.2 | -176 | 0 | 0 | 0 | 0 | 109 | V372 E373 R390 A397 | V372-V392 WeakPolarHBondContact O-CA 3.31Å; E373-V392 HydrophobicContact CB-CG2 4.46Å; E373-V392 HydrophobicContact CG-CG2 4.35Å; R390-V392 HydrophobicContact CG-CG2 4.44Å; R390-V392 VanDerWaalsContact CZ-CG2 3.43Å; V392-A397 HydrophobicContact CG1-CB 4.43Å |
| 393 | L | 96.2 | Very high | 87 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.9 | 168.2 | -49.7 | -179.1 | 0 | 0 | 0 | 108.2 | V293 L295 S371 V372 F374 L391 G401 W405 | V293-L393 HydrophobicContact CG2-CD1 4.02Å; L295-L393 HydrophobicContact CD1-CD1 3.38Å; L295-L393 HydrophobicContact CD2-CD1 3.67Å; L295-L393 HydrophobicContact CG-CD1 4.21Å; S371-L393 CarbonylContact C-O 3.6Å; S371-L393 WeakPolarHBondContact CA-O 3.17Å; S371-L393 VanDerWaalsContact CB-O 3.3Å; S371-L393 WeakPolarHBondContact CB-O 3.08Å; V372-L393 PolarHBondContact N-O 3.22Å; V372-L393 PolarHBondContact O-N 3.07Å; F374-L393 HydrophobicContact CE2-CD1 3.77Å; F374-L393 HydrophobicContact CE2-CG 3.99Å; F374-L393 HydrophobicContact CZ-CD1 4.35Å; L391-L393 HydrophobicContact CD1-CD2 3.95Å; L391-L393 HydrophobicContact CD2-CD2 4.44Å; L391-L393 HydrophobicContact CG-CD2 4.25Å; L393-G401 VanDerWaalsContact CD2-CA 3.45Å; L393-W405 HydrophobicContact CB-CE3 3.74Å; L393-W405 HydrophobicContact CB-CZ3 4.28Å |
| 394 | G | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168 | 166.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T396 A397 W405 | G394-T396 PolarHBondContact O-N 2.96Å; G394-A397 WeakPolarHBondContact O-CB 3.3Å; G394-A397 PolarHBondContact O-N 3.14Å; G394-W405 VanDerWaalsContact C-CG 3.41Å; G394-W405 VanDerWaalsContact CA-CG 3.47Å |
| 395 | A | 89.7 | Confident | 90 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 48% | 0.479 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 396 | T | 86.5 | Confident | 90.7 | Very high | 131 Ų | 131 | 48.8 Ų | 48.8 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 7.4 | 177.7 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | G394 | G394-T396 PolarHBondContact O-N 2.96Š|
| 397 | A | 87.8 | Confident | 91.4 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | trans | -80.3 | 133.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V392 G394 G402 | V392-A397 HydrophobicContact CG1-CB 4.43Å; G394-A397 WeakPolarHBondContact O-CB 3.3Å; G394-A397 PolarHBondContact O-N 3.14Å; A397-G402 WeakPolarHBondContact O-CA 3.42Å; A397-G402 PolarHBondContact O-N 3.47Å; A397-G402 VanDerWaalsContact O-N 3.15Å | ||
| 398 | E | 81.3 | Confident | 91.8 | Very high | 185 Ų | 185 | 44.3 Ų | 44.3 | 86% | 0.864 | 27% | 0.266 | S | S | * | . | trans | -76.7 | 160.2 | -179.4 | -64.2 | -177 | 171.8 | 0 | 0 | 113.4 | G401 | E398-G401 PolarHBondContact O-N 3.46Š| ||
| 399 | G | 87.7 | Confident | 92 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | 57.4 | -134.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G401 G403 | G399-G401 PolarHBondContact O-N 3.06Å; G399-G403 PolarHBondContact O-N 3.06Å |
| 400 | S | 89.3 | Confident | 92.2 | Very high | 70 Ų | 70 | 50.8 Ų | 50.8 | 49% | 0.49 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -26.3 | -176.4 | 70 | 0 | 0 | 0 | 0 | 113.7 | H404 H420 | S400-H404 PolarHBondContact O-N 3.39Å; S400-H420 PolarHBondContact O-CE1 3.46Å; S400-H420 VanDerWaalsContact O-CE1 3.27Å; S400-H420 PolarHBondContact OG-ND1 3.35Å |
| 401 | G | 91.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70 | -50.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L393 E398 G399 G403 H404 W405 | L393-G401 VanDerWaalsContact CD2-CA 3.45Å; E398-G401 PolarHBondContact O-N 3.46Å; G399-G401 PolarHBondContact O-N 3.06Å; G401-G403 VanDerWaalsContact C-N 3.34Å; G401-H404 PolarHBondContact O-N 3.46Å; G401-W405 PolarHBondContact O-N 3.41Å |
| 402 | G | 92.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 17% | 0.165 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A397 H404 W405 K406 | A397-G402 WeakPolarHBondContact O-CA 3.42Å; A397-G402 PolarHBondContact O-N 3.47Å; A397-G402 VanDerWaalsContact O-N 3.15Å; G402-H404 PolarHBondContact O-N 2.85Å; G402-W405 PolarHBondContact O-N 3.35Å; G402-K406 WeakPolarHBondContact O-CB 3.13Å; G402-K406 PolarHBondContact O-N 3.39Å |
| 403 | G | 94.7 | Very high | 91.7 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G399 G401 E407 | G399-G403 PolarHBondContact O-N 3.06Å; G401-G403 VanDerWaalsContact C-N 3.34Å; G403-E407 PolarHBondContact O-N 3.22Å |
| 404 | H | 96 | Very high | 91.7 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.5 | -37.8 | 173.8 | -169.7 | -177.4 | 0 | 0 | 0 | 112 | S400 G401 G402 E407 I408 I416 K418 H420 | S400-H404 PolarHBondContact O-N 3.39Å; G401-H404 PolarHBondContact O-N 3.46Å; G402-H404 PolarHBondContact O-N 2.85Å; H404-E407 PolarHBondContact O-N 2.99Å; H404-I408 PolarHBondContact O-N 3.42Å; H404-I416 PolarHBondContact NE2-O 3.3Å; H404-K418 HydrophobicContact CB-CD 3.99Å; H404-H420 AromaticContact CE1-NE2 3.86Å; H404-H420 AromaticContact CG-NE2 3.74Å; H404-H420 AromaticContact ND1-CE1 3.58Å; H404-H420 AromaticContact ND1-NE2 2.89Å; H404-H420 PolarHBondContact ND1-NE2 2.95Å |
| 405 | W | 96.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.015 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.6 | -162.8 | -102.2 | 0 | 0 | 0 | 112 | L295 L304 L367 I370 V372 L393 G394 G401 G402 E407 I408 C409 | L295-W405 HydrophobicContact CD2-CE3 4.04Å; L295-W405 HydrophobicContact CD2-CZ3 3.71Å; L304-W405 HydrophobicContact CD2-CH2 3.75Å; L304-W405 HydrophobicContact CD2-CZ3 4.1Å; L367-W405 HydrophobicContact CB-CZ2 4.1Å; L367-W405 HydrophobicContact CD1-CZ2 4.34Å; L367-W405 HydrophobicContact CD2-CZ2 4.13Å; L367-W405 HydrophobicContact CG-CZ2 4.44Å; L367-W405 PolarHBondContact O-NE1 2.99Å; I370-W405 HydrophobicContact CB-CH2 4.49Å; I370-W405 HydrophobicContact CB-CZ2 3.96Å; I370-W405 HydrophobicContact CG2-CH2 3.71Å; I370-W405 HydrophobicContact CG2-CZ2 3.67Å; V372-W405 HydrophobicContact CB-CZ3 4.5Å; V372-W405 HydrophobicContact CG2-CH2 4.01Å; V372-W405 HydrophobicContact CG2-CZ3 3.82Å; L393-W405 HydrophobicContact CB-CE3 3.74Å; L393-W405 HydrophobicContact CB-CZ3 4.28Å; G394-W405 VanDerWaalsContact C-CG 3.41Å; G394-W405 VanDerWaalsContact CA-CG 3.47Å; G401-W405 PolarHBondContact O-N 3.41Å; G402-W405 PolarHBondContact O-N 3.35Å; W405-E407 PolarHBondContact O-N 3.03Å; W405-I408 HydrophobicContact CD2-CD1 4.16Å; W405-I408 HydrophobicContact CE3-CD1 3.75Å; W405-I408 HydrophobicContact CH2-CD1 4.39Å; W405-I408 HydrophobicContact CZ3-CD1 3.89Å; W405-I408 WeakPolarHBondContact O-CG1 3.35Å; W405-I408 PolarHBondContact O-N 3.36Å; W405-C409 PolarHBondContact O-N 3.46Å; W405-C409 PolarHBondContact O-SG 3.01Å; W405-C409 VanDerWaalsContact O-SG 3.33Å |
| 406 | K | 94.6 | Very high | 92.1 | Very high | 133 Ų | 133 | 68.2 Ų | 68.2 | 58% | 0.578 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.5 | -45.5 | 176.6 | -177.6 | 171 | -179.8 | 175.2 | 0 | 111.9 | G402 I408 C409 D410 | G402-K406 WeakPolarHBondContact O-CB 3.13Å; G402-K406 PolarHBondContact O-N 3.39Å; K406-I408 VanDerWaalsContact C-N 3.33Å; K406-I408 PolarHBondContact O-N 3.14Å; K406-C409 WeakPolarHBondContact O-CB 3.39Å; K406-C409 PolarHBondContact O-N 3.46Å; K406-C409 VanDerWaalsContact O-N 3.08Å; K406-D410 WeakPolarHBondContact CE-OD2 3.45Å; K406-D410 WeakPolarHBondContact CG-OD2 3.4Å; K406-D410 VanDerWaalsContact O-CG 3.31Å; K406-D410 PolarHBondContact O-N 2.79Å |
| 407 | E | 94.8 | Very high | 92.6 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -30.2 | -179.4 | -73.9 | 175.3 | -156.2 | 0 | 0 | 114.2 | G403 H404 W405 C409 F411 I416 K418 | G403-E407 PolarHBondContact O-N 3.22Å; H404-E407 PolarHBondContact O-N 2.99Å; W405-E407 PolarHBondContact O-N 3.03Å; E407-C409 VanDerWaalsContact C-N 3.34Å; E407-F411 WeakPolarHBondContact O-CB 3.3Å; E407-F411 WeakPolarHBondContact O-CD2 3.35Å; E407-F411 PolarHBondContact O-N 3.17Å; E407-I416 HydrophobicContact CB-CD1 3.88Å; E407-I416 WeakPolarHBondContact O-CD1 3.41Å; E407-K418 IonicContact OE1-NZ 3.3Å; E407-K418 PolarHBondContact OE1-NZ 3.42Å; E407-K418 WeakPolarHBondContact OE2-CE 3.44Å; E407-K418 IonicContact OE2-NZ 3.55Å; E407-K418 PolarHBondContact OE2-NZ 3.48Å |
| 408 | I | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76 | -23.3 | 173.4 | 63.3 | 161.9 | 0 | 0 | 0 | 112.9 | L295 L304 H404 W405 K406 I416 | L295-I408 HydrophobicContact CB-CD1 4.07Å; L295-I408 HydrophobicContact CB-CG2 3.89Å; L295-I408 HydrophobicContact CD2-CD1 3.92Å; L304-I408 HydrophobicContact CD1-CD1 3.91Å; H404-I408 PolarHBondContact O-N 3.42Å; W405-I408 HydrophobicContact CD2-CD1 4.16Å; W405-I408 HydrophobicContact CE3-CD1 3.75Å; W405-I408 HydrophobicContact CH2-CD1 4.39Å; W405-I408 HydrophobicContact CZ3-CD1 3.89Å; W405-I408 WeakPolarHBondContact O-CG1 3.35Å; W405-I408 PolarHBondContact O-N 3.36Å; K406-I408 VanDerWaalsContact C-N 3.33Å; K406-I408 PolarHBondContact O-N 3.14Å; I408-I416 HydrophobicContact CG2-CB 4.26Å; I408-I416 HydrophobicContact CG2-CD1 4.07Å |
| 409 | C | 91.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 61.5 Ų | 61.5 | 37% | 0.365 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.5 | -45.1 | 169.7 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | W405 K406 E407 F411 | W405-C409 PolarHBondContact O-N 3.46Å; W405-C409 PolarHBondContact O-SG 3.01Å; W405-C409 VanDerWaalsContact O-SG 3.33Å; K406-C409 WeakPolarHBondContact O-CB 3.39Å; K406-C409 PolarHBondContact O-N 3.46Å; K406-C409 VanDerWaalsContact O-N 3.08Å; E407-C409 VanDerWaalsContact C-N 3.34Å; C409-F411 VanDerWaalsContact C-N 3.34Å; C409-F411 PolarHBondContact O-N 3.5Å |
| 410 | D | 93.4 | Very high | 93.9 | Very high | 92 Ų | 92 | 58.5 Ų | 58.5 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69 | -30.9 | -179.4 | -66.3 | -12.8 | 0 | 0 | 0 | 111.9 | K406 P412 | K406-D410 WeakPolarHBondContact CE-OD2 3.45Å; K406-D410 WeakPolarHBondContact CG-OD2 3.4Å; K406-D410 VanDerWaalsContact O-CG 3.31Å; K406-D410 PolarHBondContact O-N 2.79Å; D410-P412 WeakPolarHBondContact O-CD 3.47Å |
| 411 | F | 93.1 | Very high | 94 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 45% | 0.447 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -124.1 | 69.2 | -179.2 | -57.8 | -73.3 | 0 | 0 | 0 | 112.8 | E407 C409 R414 I416 | E407-F411 WeakPolarHBondContact O-CB 3.3Å; E407-F411 WeakPolarHBondContact O-CD2 3.35Å; E407-F411 PolarHBondContact O-N 3.17Å; C409-F411 VanDerWaalsContact C-N 3.34Å; C409-F411 PolarHBondContact O-N 3.5Å; F411-R414 HydrophobicContact CB-CB 3.9Å; F411-R414 WeakPolarHBondContact O-CB 3.44Å; F411-R414 PolarHBondContact O-N 3.44Å; F411-R414 VanDerWaalsContact O-N 3.14Å; F411-I416 HydrophobicContact CB-CD1 4.39Å |
| 412 | P | 88.4 | Confident | 94 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 148.1 | 178.5 | 27.5 | -35.1 | 0 | 0 | 0 | 111.6 | D410 R414 | D410-P412 WeakPolarHBondContact O-CD 3.47Å; P412-R414 PolarHBondContact O-N 3.23Å |
| 413 | R | 92.1 | Very high | 93.6 | Very high | 158 Ų | 158 | 64.9 Ų | 64.9 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -2.6 | -169.5 | -54.6 | 174.4 | -68.4 | -102.5 | -3.2 | 115.5 | C296 Y297 Q298 | C296-R413 VanDerWaalsContact SG-C 3.57Å; Y297-R413 PolarHBondContact O-N 3.06Å; Q298-R413 HydrophobicContact CG-CG 4.19Å |
| 414 | R | 94.8 | Very high | 92.4 | Very high | 146 Ų | 146 | 69.3 Ų | 69.3 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | trans | -84 | 122.8 | 172.3 | -167.9 | 179.2 | 177.5 | 177.7 | -0.1 | 109.8 | F411 P412 I416 | F411-R414 HydrophobicContact CB-CB 3.9Å; F411-R414 WeakPolarHBondContact O-CB 3.44Å; F411-R414 PolarHBondContact O-N 3.44Å; F411-R414 VanDerWaalsContact O-N 3.14Å; P412-R414 PolarHBondContact O-N 3.23Å; R414-I416 HydrophobicContact CB-CD1 4.46Å; R414-I416 HydrophobicContact CB-CG1 4.3Å; R414-I416 HydrophobicContact CG-CD1 4.4Å; R414-I416 HydrophobicContact CG-CG1 3.91Å; R414-I416 PolarHBondContact O-N 3.47Å | ||
| 415 | Q | 95.7 | Very high | 90.4 | Very high | 89 Ų | 89 | 73.5 Ų | 73.5 | 42% | 0.416 | 38% | 0.383 | S | S | . | . | trans | -75 | 113.6 | 168.1 | -169.4 | 71 | 71 | 0 | 0 | 109.1 | S294 L295 C296 | S294-Q415 VanDerWaalsContact C-NE2 3.34Å; S294-Q415 WeakPolarHBondContact OG-CG 3.46Å; S294-Q415 PolarHBondContact OG-NE2 2.87Å; L295-Q415 PolarHBondContact O-NE2 3.35Å; C296-Q415 HydrophobicContact CB-CB 4.35Å | ||
| 416 | I | 97.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 77 Ų | 77 | 7% | 0.072 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136 | -179.1 | -62.2 | 169.1 | 0 | 0 | 0 | 108.1 | S294 L295 H404 E407 I408 F411 R414 K418 | S294-I416 CarbonylContact C-O 3.42Å; S294-I416 WeakPolarHBondContact CA-O 3.18Å; S294-I416 WeakPolarHBondContact CB-O 3.08Å; S294-I416 VanDerWaalsContact OG-C 3.31Å; S294-I416 PolarHBondContact OG-O 2.82Å; L295-I416 PolarHBondContact N-O 2.91Å; L295-I416 PolarHBondContact O-N 3.37Å; H404-I416 PolarHBondContact NE2-O 3.3Å; E407-I416 HydrophobicContact CB-CD1 3.88Å; E407-I416 WeakPolarHBondContact O-CD1 3.41Å; I408-I416 HydrophobicContact CG2-CB 4.26Å; I408-I416 HydrophobicContact CG2-CD1 4.07Å; F411-I416 HydrophobicContact CB-CD1 4.39Å; R414-I416 HydrophobicContact CB-CD1 4.46Å; R414-I416 HydrophobicContact CB-CG1 4.3Å; R414-I416 HydrophobicContact CG-CD1 4.4Å; R414-I416 HydrophobicContact CG-CG1 3.91Å; R414-I416 PolarHBondContact O-N 3.47Å; I416-K418 HydrophobicContact CG2-CG 4.34Å |
| 417 | A | 97.1 | Very high | 89.9 | Confident | 56 Ų | 56 | 74 Ų | 74 | 46% | 0.463 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L292 V293 L309 | L292-A417 HydrophobicContact CD1-CB 4.46Å; V293-A417 WeakPolarHBondContact O-CA 3.36Å; L309-A417 HydrophobicContact CD1-CB 4.25Å |
| 418 | K | 95.9 | Very high | 89.6 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 26% | 0.261 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 146.7 | -178.3 | -65.9 | -167.6 | 177.3 | -172.1 | 0 | 113 | L292 V293 H404 E407 I416 H420 | L292-K418 VanDerWaalsContact CD1-C 3.41Å; L292-K418 WeakPolarHBondContact CD1-O 3.17Å; V293-K418 PolarHBondContact N-O 3.38Å; V293-K418 VanDerWaalsContact N-O 3.16Å; V293-K418 PolarHBondContact O-N 3.32Å; H404-K418 HydrophobicContact CB-CD 3.99Å; E407-K418 IonicContact OE1-NZ 3.3Å; E407-K418 PolarHBondContact OE1-NZ 3.42Å; E407-K418 WeakPolarHBondContact OE2-CE 3.44Å; E407-K418 IonicContact OE2-NZ 3.55Å; E407-K418 PolarHBondContact OE2-NZ 3.48Å; I416-K418 HydrophobicContact CG2-CG 4.34Å; K418-H420 PolarHBondContact O-CD2 3.46Å |
| 419 | W | 94.9 | Very high | 89.3 | Confident | 79 Ų | 79 | 78.8 Ų | 78.8 | 30% | 0.299 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 138.3 | 166.4 | -75.2 | 105.9 | 0 | 0 | 0 | 109.9 | E290 L292 K310 R312 | E290-W419 HydrophobicContact CB-CE3 3.77Å; E290-W419 HydrophobicContact CB-CZ3 4.13Å; L292-W419 HydrophobicContact CB-CD2 3.78Å; L292-W419 HydrophobicContact CB-CE3 3.66Å; L292-W419 HydrophobicContact CB-CH2 3.9Å; L292-W419 HydrophobicContact CB-CZ2 4.01Å; L292-W419 HydrophobicContact CB-CZ3 3.71Å; L292-W419 HydrophobicContact CD1-CD2 4.25Å; L292-W419 HydrophobicContact CD1-CG 4.18Å; L292-W419 HydrophobicContact CD2-CZ2 4.14Å; L292-W419 HydrophobicContact CG-CD2 4.45Å; K310-W419 HydrophobicContact CD-CH2 4.26Å; K310-W419 HydrophobicContact CD-CZ2 4.39Å; K310-W419 HydrophobicContact CG-CH2 3.9Å; K310-W419 HydrophobicContact CG-CZ2 4.33Å; R312-W419 HydrophobicContact CB-CH2 4.1Å; R312-W419 HydrophobicContact CB-CZ3 4.34Å; R312-W419 HydrophobicContact CG-CE3 4.45Å; R312-W419 HydrophobicContact CG-CH2 3.64Å; R312-W419 HydrophobicContact CG-CZ2 4.45Å; R312-W419 HydrophobicContact CG-CZ3 3.65Å |
| 420 | H | 93.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 80.3 Ų | 80.3 | 1% | 0.014 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.3 | 171.1 | -59.5 | -89.7 | 0 | 0 | 0 | 110 | E290 L291 L391 S400 H404 K418 | E290-H420 CarbonylContact C-O 3.51Å; E290-H420 WeakPolarHBondContact CA-O 3.31Å; E290-H420 WeakPolarHBondContact CB-O 3.42Å; L291-H420 PolarHBondContact N-O 3.21Å; L291-H420 PolarHBondContact O-N 3.07Å; L391-H420 HydrophobicContact CD1-CB 3.55Å; L391-H420 HydrophobicContact CD2-CB 3.76Å; L391-H420 HydrophobicContact CG-CB 4.28Å; S400-H420 PolarHBondContact O-CE1 3.46Å; S400-H420 VanDerWaalsContact O-CE1 3.27Å; S400-H420 PolarHBondContact OG-ND1 3.35Å; H404-H420 AromaticContact CE1-NE2 3.86Å; H404-H420 AromaticContact CG-NE2 3.74Å; H404-H420 AromaticContact ND1-CE1 3.58Å; H404-H420 AromaticContact ND1-NE2 2.89Å; H404-H420 PolarHBondContact ND1-NE2 2.95Å; K418-H420 PolarHBondContact O-CD2 3.46Å |
| 421 | M | 90.4 | Very high | 88.8 | Confident | 133 Ų | 133 | 79.5 Ų | 79.5 | 66% | 0.655 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 143.9 | 166.9 | -60.5 | -170.6 | -62.5 | 0 | 0 | 109.8 | E290 | E290-M421 HydrophobicContact CG-CG 4.3Å |
| 422 | L | 90.5 | Very high | 88.5 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 4% | 0.042 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -89 | 130.4 | 174.1 | -68.5 | 162 | 0 | 0 | 0 | 109.8 | R288 G289 L291 L314 V376 L391 | R288-L422 HydrophobicContact CB-CB 3.74Å; R288-L422 WeakPolarHBondContact O-CD1 3.46Å; G289-L422 WeakPolarHBondContact O-CB 3.47Å; G289-L422 PolarHBondContact O-N 3.43Å; L291-L422 HydrophobicContact CB-CD1 4.41Å; L291-L422 HydrophobicContact CB-CD2 4.2Å; L291-L422 HydrophobicContact CB-CG 4.37Å; L314-L422 HydrophobicContact CD2-CD1 3.79Å; V376-L422 HydrophobicContact CB-CD1 4.34Å; V376-L422 HydrophobicContact CG2-CD1 3.72Å; V376-L422 HydrophobicContact CG2-CD2 3.81Å; V376-L422 HydrophobicContact CG2-CG 4.46Å; L391-L422 HydrophobicContact CB-CD2 3.95Å |
| 423 | C | 84.4 | Confident | 88.6 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 55% | 0.554 | 42% | 0.423 | S | S | * | . | B | Isolated β-bridge | trans | -96.2 | 169.5 | -179.5 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | R288 R390 | R288-C423 WeakPolarHBondContact CD-O 3.33Å; R390-C423 PolarHBondContact N-O 3.28Å; R390-C423 PolarHBondContact O-N 2.94Å |
| 424 | D | 70.8 | Confident | 88.3 | Confident | 126 Ų | 126 | 73.7 Ų | 73.7 | 67% | 0.674 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -58 | 142.2 | 168.8 | -65.9 | -64.7 | 0 | 0 | 0 | 111.8 | R288 | R288-D424 IonicContact CZ-OD1 3.71Å; R288-D424 IonicContact NE-OD1 3.72Å; R288-D424 PolarHBondContact NE-OD1 2.89Å; R288-D424 IonicContact NH2-OD1 2.76Å; R288-D424 PolarHBondContact NH2-OD1 2.84Å |
| 425 | G | 53.4 | Low | 87.7 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 91% | 0.907 | 40% | 0.396 | S | S | * | . | trans | -101.5 | 0 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.4 |
Retrieved 425 of 425 residues in 340 ms
(Link to these results)