| 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 | 48.9 | Very low | 44.9 | Very low | 229 Ų | 229 | 143.4 Ų | 143.4 | 100% | 1.128 | 76% | 0.756 | S | S | * | * | 0 | 117.9 | 0 | -56.4 | -175.6 | -66.4 | 0 | 0 | 106.5 | |||||
| 2 | Y | 45.2 | Very low | 44.8 | Very low | 208 Ų | 208 | 145.1 Ų | 145.1 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | cis | -135.7 | 116.9 | 4.5 | -86.6 | -108.8 | 0 | 0 | 0 | 108.9 | ||||
| 3 | Q | 44.9 | Very low | 44.8 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -158.2 | -28.9 | 169 | -151.8 | 89.6 | 16.7 | 0 | 0 | 113.2 | V5 | Q3-V5 PolarHBondContact O-N 3.07Š|
| 4 | E | 46.3 | Very low | 44.9 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 41.9 | -170.4 | -64.1 | -58.8 | 149.6 | 0 | 0 | 115.1 | ||
| 5 | V | 44.5 | Very low | 44.3 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | -4.6 | -176.5 | -167.4 | 0 | 0 | 0 | 0 | 113.4 | Q3 | Q3-V5 PolarHBondContact O-N 3.07Š|
| 6 | L | 45.1 | Very low | 44.3 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -96.8 | 5.2 | -173.7 | -71.5 | 172.9 | 0 | 0 | 0 | 115.3 | ||
| 7 | L | 41 | Very low | 44.1 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -107.3 | -15.5 | 179.6 | -84.6 | 160.9 | 0 | 0 | 0 | 114.5 | ||
| 8 | S | 40.9 | Very low | 43.8 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -83.3 | -14.5 | -179.5 | 50 | 0 | 0 | 0 | 0 | 114.3 | ||
| 9 | S | 43.9 | Very low | 43.9 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -83.7 | -11.8 | -179.9 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 10 | A | 47.2 | Very low | 44 | Very low | 65 Ų | 65 | 138.8 Ų | 138.8 | 54% | 0.537 | 75% | 0.745 | S | S | . | * | G | 310 helix | trans | -87.1 | -6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 11 | L | 46.4 | Very low | 44 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -97.8 | 14 | -176.6 | -73.4 | 174.8 | 0 | 0 | 0 | 114.8 | F13 | L11-F13 HydrophobicContact CD2-CD2 4.03Å; L11-F13 HydrophobicContact CD2-CE2 4.17Å; L11-F13 PolarHBondContact O-N 3.45Å |
| 12 | L | 43.8 | Very low | 44 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 86% | 0.859 | 71% | 0.708 | S | S | * | * | trans | -76.3 | 56.8 | 157.6 | -80 | 168.6 | 0 | 0 | 0 | 110.4 | L14 | L12-L14 PolarHBondContact O-N 2.78Š| ||
| 13 | F | 44.7 | Very low | 44.1 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 75% | 0.75 | 71% | 0.706 | S | S | * | * | trans | -62.5 | 124.4 | 168 | -91.5 | -81.9 | 0 | 0 | 0 | 108.9 | L11 H15 | L11-F13 HydrophobicContact CD2-CD2 4.03Å; L11-F13 HydrophobicContact CD2-CE2 4.17Å; L11-F13 PolarHBondContact O-N 3.45Å; F13-H15 PolarHBondContact O-N 2.93Å | ||
| 14 | L | 46.1 | Very low | 44 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | trans | -61 | 91.9 | -178.7 | -75.3 | 159.3 | 0 | 0 | 0 | 111 | L12 V16 | L12-L14 PolarHBondContact O-N 2.78Å; L14-V16 HydrophobicContact CB-CG2 4.17Å; L14-V16 HydrophobicContact CD2-CG2 4.15Å; L14-V16 PolarHBondContact O-N 3.16Å | ||
| 15 | H | 36.3 | Very low | 44 | Very low | 177 Ų | 177 | 122.8 Ų | 122.8 | 82% | 0.819 | 68% | 0.676 | S | S | * | * | trans | -69.6 | 61.9 | 148.8 | -89.3 | -36.5 | 0 | 0 | 0 | 109.6 | F13 M17 | F13-H15 PolarHBondContact O-N 2.93Å; H15-M17 PolarHBondContact O-N 3.36Å | ||
| 16 | V | 43.5 | Very low | 44.1 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 65% | 0.648 | 69% | 0.691 | S | S | * | * | trans | -61.2 | 93.8 | 146.2 | 171.6 | 0 | 0 | 0 | 0 | 104.9 | L14 G18 | L14-V16 HydrophobicContact CB-CG2 4.17Å; L14-V16 HydrophobicContact CD2-CG2 4.15Å; L14-V16 PolarHBondContact O-N 3.16Å; V16-G18 PolarHBondContact O-N 3.07Å | ||
| 17 | M | 40.4 | Very low | 44.7 | Very low | 160 Ų | 160 | 124 Ų | 124 | 79% | 0.788 | 69% | 0.691 | S | S | * | * | trans | -58.7 | 92.2 | 159.3 | -78.9 | -67.3 | -159.1 | 0 | 0 | 106.2 | H15 T19 | H15-M17 PolarHBondContact O-N 3.36Å; M17-T19 VanDerWaalsContact C-N 3.29Å; M17-T19 PolarHBondContact O-N 2.9Å | ||
| 18 | G | 40 | Very low | 46 | Very low | 60 Ų | 60 | 124.8 Ų | 124.8 | 62% | 0.619 | 68% | 0.683 | S | S | * | * | trans | -64.2 | 91.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109 | V16 P20 | V16-G18 PolarHBondContact O-N 3.07Å; G18-P20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | T | 45.9 | Very low | 47.7 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | trans | -51.5 | 120 | 169.6 | 49.4 | 0 | 0 | 0 | 0 | 107 | M17 Q21 | M17-T19 VanDerWaalsContact C-N 3.29Å; M17-T19 PolarHBondContact O-N 2.9Å; T19-Q21 PolarHBondContact O-N 2.76Å | ||
| 20 | P | 45 | Very low | 49.4 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 60% | 0.604 | 66% | 0.658 | S | S | * | * | trans | -56 | 120 | -172 | 19 | -31 | 0 | 0 | 0 | 108.9 | G18 F22 | G18-P20 VanDerWaalsContact O-N 3.11Å; P20-F22 VanDerWaalsContact C-N 3.27Å; P20-F22 HydrophobicContact CB-CE2 4.41Å; P20-F22 HydrophobicContact CB-CZ 4.49Å; P20-F22 HydrophobicContact CG-CE2 3.85Å; P20-F22 HydrophobicContact CG-CZ 4.06Å; P20-F22 VanDerWaalsContact O-CD2 3.24Å; P20-F22 WeakPolarHBondContact O-CD2 3.41Å; P20-F22 PolarHBondContact O-N 3.46Å | ||
| 21 | Q | 44.6 | Very low | 50.7 | Low | 146 Ų | 146 | 120.5 Ų | 120.5 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | trans | -73.2 | 86.6 | -176 | -72.3 | -174.1 | -15.7 | 0 | 0 | 108.7 | T19 F23 | T19-Q21 PolarHBondContact O-N 2.76Å; Q21-F23 HydrophobicContact CB-CD2 4.19Å; Q21-F23 HydrophobicContact CB-CE2 3.69Å; Q21-F23 HydrophobicContact CB-CZ 4.24Å; Q21-F23 WeakPolarHBondContact O-CD2 3.45Å; Q21-F23 PolarHBondContact O-N 2.91Å | ||
| 22 | F | 49 | Very low | 51.7 | Low | 93 Ų | 93 | 117.5 Ų | 117.5 | 41% | 0.408 | 63% | 0.626 | S | S | . | * | trans | -64.8 | 95.2 | 172.7 | -66.5 | -73 | 0 | 0 | 0 | 109.1 | P20 G24 C31 P93 | P20-F22 VanDerWaalsContact C-N 3.27Å; P20-F22 HydrophobicContact CB-CE2 4.41Å; P20-F22 HydrophobicContact CB-CZ 4.49Å; P20-F22 HydrophobicContact CG-CE2 3.85Å; P20-F22 HydrophobicContact CG-CZ 4.06Å; P20-F22 VanDerWaalsContact O-CD2 3.24Å; P20-F22 WeakPolarHBondContact O-CD2 3.41Å; P20-F22 PolarHBondContact O-N 3.46Å; F22-G24 PolarHBondContact O-N 3.4Å; F22-C31 HydrophobicContact CD1-CB 3.91Å; F22-P93 HydrophobicContact CD2-CG 4.1Å; F22-P93 HydrophobicContact CE2-CG 3.77Å; F22-P93 HydrophobicContact CZ-CG 4.23Å | ||
| 23 | F | 45.7 | Very low | 52.3 | Low | 175 Ų | 175 | 112 Ų | 112 | 77% | 0.768 | 60% | 0.601 | S | S | * | * | trans | -71.4 | 58.8 | 176.2 | -76.9 | -81.1 | 0 | 0 | 0 | 112.1 | Q21 | Q21-F23 HydrophobicContact CB-CD2 4.19Å; Q21-F23 HydrophobicContact CB-CE2 3.69Å; Q21-F23 HydrophobicContact CB-CZ 4.24Å; Q21-F23 WeakPolarHBondContact O-CD2 3.45Å; Q21-F23 PolarHBondContact O-N 2.91Å | ||
| 24 | G | 43.3 | Very low | 52.5 | Low | 34 Ų | 34 | 110.7 Ų | 110.7 | 35% | 0.351 | 60% | 0.602 | S | S | . | * | trans | -85.7 | 108.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | F22 H26 | F22-G24 PolarHBondContact O-N 3.4Å; G24-H26 PolarHBondContact O-N 2.04Å | ||
| 25 | H | 47.4 | Very low | 52.8 | Low | 137 Ų | 137 | 107.3 Ų | 107.3 | 63% | 0.634 | 58% | 0.584 | S | S | * | * | trans | -51.6 | 136.1 | 164.2 | -70.4 | -84.9 | 0 | 0 | 0 | 110.2 | G27 R28 | H25-G27 PolarHBondContact O-N 3.48Å; H25-G27 VanDerWaalsContact O-N 3.11Å; H25-R28 HydrophobicContact CB-CG 4.46Å; H25-R28 PolarHBondContact O-N 2.98Å | ||
| 26 | H | 46.8 | Very low | 53.5 | Low | 205 Ų | 205 | 109.1 Ų | 109.1 | 95% | 0.949 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.6 | 119.5 | -179.9 | -67.3 | -66 | 0 | 0 | 0 | 111.6 | G24 | G24-H26 PolarHBondContact O-N 2.04Š|
| 27 | G | 57.1 | Low | 53.9 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.7 | -19.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | H25 | H25-G27 PolarHBondContact O-N 3.48Å; H25-G27 VanDerWaalsContact O-N 3.11Å |
| 28 | R | 67.4 | Low | 54.6 | Low | 169 Ų | 169 | 107.2 Ų | 107.2 | 64% | 0.638 | 57% | 0.569 | S | S | * | * | trans | -71.9 | 138.2 | 171.8 | -62.6 | -169.2 | -175.6 | -155.3 | 3.7 | 110.7 | H25 | H25-R28 HydrophobicContact CB-CG 4.46Å; H25-R28 PolarHBondContact O-N 2.98Å | ||
| 29 | R | 77.6 | Confident | 55.4 | Low | 107 Ų | 107 | 108.3 Ų | 108.3 | 40% | 0.404 | 56% | 0.563 | S | S | . | * | trans | -110.1 | -10.1 | 176.3 | -55.6 | -174.9 | -169.6 | -170.7 | 6.4 | 113.8 | C92 W95 C103 N104 | R29-C92 PolarHBondContact O-N 2.9Å; R29-C92 PolarHBondContact O-SG 2.84Å; R29-W95 HydrophobicContact CB-CD2 4.31Å; R29-W95 HydrophobicContact CB-CG 4.28Å; R29-W95 HydrophobicContact CG-CD2 4.2Å; R29-W95 HydrophobicContact CG-CZ2 4.35Å; R29-C103 HydrophobicContact CB-CB 4.06Å; R29-C103 WeakPolarHBondContact CB-O 3.46Å; R29-C103 WeakPolarHBondContact CD-O 3.47Å; R29-C103 VanDerWaalsContact O-CB 3.32Å; R29-C103 WeakPolarHBondContact O-CB 3.19Å; R29-N104 PolarHBondContact NH1-O 3.29Å | ||
| 30 | A | 79.1 | Confident | 56.3 | Low | 39 Ų | 39 | 105.9 Ų | 105.9 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | B | Isolated β-bridge | trans | -102.9 | 133.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | P89 D90 | A30-P89 HydrophobicContact CB-CB 4.25Å; A30-P89 HydrophobicContact CB-CG 4.01Å; A30-D90 CarbonylContact C-O 3.28Å; A30-D90 VanDerWaalsContact CA-O 3.28Å; A30-D90 WeakPolarHBondContact CA-O 3.46Å |
| 31 | C | 75.3 | Confident | 57.1 | Low | 11 Ų | 11 | 106.5 Ų | 106.5 | 7% | 0.074 | 54% | 0.543 | C | S | . | . | trans | -127.1 | 120.7 | -179.5 | -76.2 | 0 | 0 | 0 | 0 | 106.9 | F22 D90 C92 | F22-C31 HydrophobicContact CD1-CB 3.91Å; C31-D90 PolarHBondContact N-O 2.94Å; C31-D90 PolarHBondContact O-N 2.95Å; C31-D90 VanDerWaalsContact O-O 3.07Å; C31-C92 HydrophobicContact CB-CB 3.95Å; C31-C92 WeakPolarHBondContact CB-SG 3.44Å; C31-C92 PolarHBondContact N-SG 3.15Å; C31-C92 WeakPolarHBondContact SG-CB 3.4Å; C31-C92 CovalentContact SG-SG 2.04Å; C31-C92 PolarHBondContact SG-SG 2.91Å | ||
| 32 | S | 66.6 | Low | 58.1 | Low | 75 Ų | 75 | 100.9 Ų | 100.9 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | trans | -68.7 | 140.1 | 161 | -160.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 33 | S | 56.8 | Low | 59.2 | Low | 47 Ų | 47 | 101.2 Ų | 101.2 | 33% | 0.329 | 53% | 0.531 | S | S | . | . | trans | -59.8 | 150.3 | 147.2 | 48.4 | 0 | 0 | 0 | 0 | 108.2 | L35 | S33-L35 PolarHBondContact O-N 2.64Š| ||
| 34 | D | 48.5 | Very low | 60.5 | Low | 145 Ų | 145 | 93.9 Ų | 93.9 | 78% | 0.775 | 50% | 0.499 | S | S | * | . | trans | -71 | 89.9 | 167 | -177.4 | 24.4 | 0 | 0 | 0 | 107.8 | R36 | D34-R36 PolarHBondContact O-N 2.82Š| ||
| 35 | L | 53.5 | Low | 61.9 | Low | 79 Ų | 79 | 93.6 Ų | 93.6 | 41% | 0.414 | 49% | 0.492 | S | S | . | . | trans | -68.2 | 84.4 | 170.3 | -72.3 | 176.7 | 0 | 0 | 0 | 107.9 | S33 H37 | S33-L35 PolarHBondContact O-N 2.64Å; L35-H37 VanDerWaalsContact C-N 3.25Å; L35-H37 PolarHBondContact O-N 2.9Å | ||
| 36 | R | 49.1 | Very low | 63.2 | Low | 215 Ų | 215 | 90.6 Ų | 90.6 | 81% | 0.811 | 48% | 0.476 | S | S | * | . | trans | -40.6 | 106.6 | 135.3 | -81.2 | -172.4 | 169.5 | -154.3 | -2.3 | 105.9 | D34 N38 | D34-R36 PolarHBondContact O-N 2.82Å; R36-N38 PolarHBondContact O-N 2.93Å; R36-N38 VanDerWaalsContact O-N 3.09Å | ||
| 37 | H | 52.8 | Low | 64.6 | Low | 137 Ų | 137 | 82 Ų | 82 | 63% | 0.634 | 44% | 0.44 | S | S | * | . | trans | -44.9 | 122.3 | -179.3 | -66.3 | 74.3 | 0 | 0 | 0 | 108 | L35 V39 I81 | L35-H37 VanDerWaalsContact C-N 3.25Å; L35-H37 PolarHBondContact O-N 2.9Å; H37-V39 PolarHBondContact O-N 2.9Å; H37-I81 HydrophobicContact CB-CG2 4.31Å | ||
| 38 | N | 54.2 | Low | 65.6 | Low | 91 Ų | 91 | 82.4 Ų | 82.4 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | trans | -66.8 | 91.7 | 176.8 | -81.8 | -17.9 | 0 | 0 | 0 | 107.2 | R36 I40 E82 | R36-N38 PolarHBondContact O-N 2.93Å; R36-N38 VanDerWaalsContact O-N 3.09Å; N38-I40 HydrophobicContact CB-CG1 4.31Å; N38-I40 PolarHBondContact O-N 2.04Å; N38-E82 HydrophobicContact CB-CB 4.3Å; N38-E82 PolarHBondContact O-N 3.08Å; N38-E82 VanDerWaalsContact O-N 3.15Å | ||
| 39 | V | 58.6 | Low | 66.2 | Low | 82 Ų | 82 | 77.6 Ų | 77.6 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 83.3 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 106 | H37 L41 | H37-V39 PolarHBondContact O-N 2.9Å; V39-L41 PolarHBondContact O-N 2.03Å |
| 40 | I | 63.9 | Low | 66.4 | Low | 65 Ų | 65 | 74.9 Ų | 74.9 | 33% | 0.333 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 120.2 | 177.8 | -60.7 | -178.8 | 0 | 0 | 0 | 107 | N38 A42 R80 E82 | N38-I40 HydrophobicContact CB-CG1 4.31Å; N38-I40 PolarHBondContact O-N 2.04Å; I40-A42 PolarHBondContact O-N 3.21Å; I40-A42 VanDerWaalsContact O-N 3.09Å; I40-R80 PolarHBondContact N-O 2.81Å; I40-R80 PolarHBondContact O-N 2.9Å; I40-E82 HydrophobicContact CD1-CB 4.03Å; I40-E82 HydrophobicContact CD1-CG 4.31Å; I40-E82 HydrophobicContact CG1-CB 4.47Å |
| 41 | L | 61.8 | Low | 66.5 | Low | 106 Ų | 106 | 78.7 Ų | 78.7 | 56% | 0.555 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 97 | 164.8 | -113.3 | 69.4 | 0 | 0 | 0 | 107.6 | V39 Q77 | V39-L41 PolarHBondContact O-N 2.03Å; L41-Q77 HydrophobicContact CD2-CB 4.5Å |
| 42 | A | 66.3 | Low | 66.7 | Low | 29 Ų | 29 | 83.6 Ų | 83.6 | 24% | 0.24 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I40 V78 | I40-A42 PolarHBondContact O-N 3.21Å; I40-A42 VanDerWaalsContact O-N 3.09Å; A42-V78 HydrophobicContact CB-CG2 4.19Å; A42-V78 PolarHBondContact N-O 3.45Å; A42-V78 PolarHBondContact O-N 3.39Å |
| 43 | T | 72.1 | Confident | 67.3 | Low | 100 Ų | 100 | 84.7 Ų | 84.7 | 61% | 0.613 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.8 | 165.5 | -58.3 | 0 | 0 | 0 | 0 | 108.2 | Y75 | T43-Y75 HydrophobicContact CG2-CD1 4.07Å; T43-Y75 HydrophobicContact CG2-CG 4.48Å |
| 44 | E | 71.6 | Confident | 68.1 | Low | 20 Ų | 20 | 86.2 Ų | 86.2 | 9% | 0.093 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.1 | 178.5 | -179.8 | 175.7 | -90.3 | 0 | 0 | 109.4 | Y75 R76 V78 R80 P238 | E44-Y75 WeakPolarHBondContact O-CA 3.03Å; E44-R76 HydrophobicContact CB-CG 4.33Å; E44-R76 PolarHBondContact N-O 3.28Å; E44-R76 PolarHBondContact O-N 3.27Å; E44-R76 IonicContact OE2-CZ 3.53Å; E44-R76 IonicContact OE2-NE 3.58Å; E44-R76 PolarHBondContact OE2-NE 2.79Å; E44-R76 IonicContact OE2-NH2 2.73Å; E44-R76 PolarHBondContact OE2-NH2 2.86Å; E44-V78 HydrophobicContact CB-CG1 4.2Å; E44-V78 HydrophobicContact CB-CG2 3.65Å; E44-V78 HydrophobicContact CG-CG2 4.48Å; E44-R80 IonicContact OE1-CZ 3.44Å; E44-R80 IonicContact OE1-NE 3.61Å; E44-R80 IonicContact OE1-NH2 2.75Å; E44-R80 PolarHBondContact OE1-NH2 3.41Å; E44-P238 HydrophobicContact CG-CB 4.36Å |
| 45 | S | 72.8 | Confident | 69.4 | Low | 29 Ų | 29 | 84.3 Ų | 84.3 | 20% | 0.203 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 149.5 | 172.4 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | A74 | S45-A74 CarbonylContact C-O 3.49Å; S45-A74 VanDerWaalsContact CA-O 3.29Å; S45-A74 WeakPolarHBondContact CA-O 3.03Å |
| 46 | Y | 74.6 | Confident | 70.4 | Confident | 73 Ų | 73 | 82.4 Ų | 82.4 | 29% | 0.286 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 160 | 176.1 | 69.9 | -78.9 | 0 | 0 | 0 | 110.1 | Q48 A74 R76 | Y46-Q48 HydrophobicContact CE2-CB 4Å; Y46-Q48 PolarHBondContact OH-OE1 2.8Å; Y46-A74 HydrophobicContact CD1-CB 4.14Å; Y46-A74 WeakPolarHBondContact CD1-O 3.35Å; Y46-A74 HydrophobicContact CD2-CB 4.44Å; Y46-A74 HydrophobicContact CE1-CB 3.58Å; Y46-A74 HydrophobicContact CE2-CB 3.93Å; Y46-A74 VanDerWaalsContact CZ-CB 3.45Å; Y46-A74 PolarHBondContact N-O 2.88Å; Y46-A74 PolarHBondContact O-N 3.15Å; Y46-R76 HydrophobicContact CD1-CB 4.45Å; Y46-R76 HydrophobicContact CD1-CG 4Å; Y46-R76 HydrophobicContact CE1-CB 4.1Å; Y46-R76 HydrophobicContact CE1-CG 4.14Å |
| 47 | A | 76.5 | Confident | 71.6 | Confident | 25 Ų | 25 | 77.8 Ų | 77.8 | 21% | 0.207 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y71 S72 L236 | A47-Y71 HydrophobicContact CB-CD1 4.07Å; A47-Y71 HydrophobicContact CB-CG 4.48Å; A47-S72 CarbonylContact C-O 3.5Å; A47-S72 WeakPolarHBondContact CA-O 3.35Å; A47-L236 HydrophobicContact CB-CD1 3.25Å |
| 48 | Q | 78.3 | Confident | 72.6 | Confident | 87 Ų | 87 | 72.2 Ų | 72.2 | 41% | 0.407 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.5 | 167.7 | -174.2 | 168.5 | -39 | 0 | 0 | 108.9 | Y46 S72 A74 | Y46-Q48 HydrophobicContact CE2-CB 4Å; Y46-Q48 PolarHBondContact OH-OE1 2.8Å; Q48-S72 PolarHBondContact N-O 2.73Å; Q48-S72 PolarHBondContact O-N 3.02Å; Q48-A74 HydrophobicContact CB-CB 3.92Å |
| 49 | P | 80 | Confident | 73.8 | Confident | 67 Ų | 67 | 75.1 Ų | 75.1 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 135.7 | 170.3 | 28.9 | -33 | 0 | 0 | 0 | 110.1 | T69 Y71 | P49-T69 HydrophobicContact CB-CG2 3.99Å; P49-Y71 HydrophobicContact CB-CD1 4.32Å; P49-Y71 HydrophobicContact CB-CE1 4.07Å |
| 50 | V | 81.9 | Confident | 74.5 | Confident | 51 Ų | 51 | 74.7 Ų | 74.7 | 31% | 0.309 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 104.6 | 179.5 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | K52 T70 S72 | V50-K52 HydrophobicContact CG1-CG 4.34Å; V50-K52 PolarHBondContact O-N 2.91Å; V50-T70 WeakPolarHBondContact CA-O 3.42Å; V50-T70 PolarHBondContact N-O 2.75Å; V50-T70 PolarHBondContact O-N 3.07Å; V50-T70 PolarHBondContact O-OG1 3.09Å; V50-S72 WeakPolarHBondContact CG2-OG 3.3Å |
| 51 | H | 81.9 | Confident | 74.5 | Confident | 119 Ų | 119 | 79.4 Ų | 79.4 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 114.5 | 177 | -54.1 | -64.9 | 0 | 0 | 0 | 109.6 | Y67 K68 T69 | H51-Y67 HydrophobicContact CB-CD1 4.48Å; H51-K68 WeakPolarHBondContact CA-O 3.38Å; H51-T69 PolarHBondContact CE1-OG1 3.02Å; H51-T69 PolarHBondContact ND1-OG1 3.03Å; H51-T69 VanDerWaalsContact ND1-OG1 3.12Å |
| 52 | K | 79.9 | Confident | 75 | Confident | 113 Ų | 113 | 83.6 Ų | 83.6 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 140.6 | 175.8 | -67.1 | 177.3 | -175.8 | 161.2 | 0 | 109.2 | V50 Y54 Y67 K68 T70 | V50-K52 HydrophobicContact CG1-CG 4.34Å; V50-K52 PolarHBondContact O-N 2.91Å; K52-Y54 PolarHBondContact O-N 2.77Å; K52-Y67 WeakPolarHBondContact O-CA 3.38Å; K52-K68 PolarHBondContact N-O 2.87Å; K52-K68 PolarHBondContact O-N 2.91Å; K52-T70 HydrophobicContact CD-CG2 3.98Å; K52-T70 WeakPolarHBondContact CD-OG1 3.06Å; K52-T70 WeakPolarHBondContact CE-OG1 3.42Å; K52-T70 PolarHBondContact NZ-OG1 3.02Å |
| 53 | P | 77.4 | Confident | 75.3 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 130.2 | 173.4 | 27.9 | -33.6 | 0 | 0 | 0 | 109.6 | Y67 | P53-Y67 HydrophobicContact CB-CE1 4.43Å |
| 54 | Y | 74.1 | Confident | 75.5 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 31% | 0.306 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.6 | 171.9 | -175.9 | -128.3 | 0 | 0 | 0 | 108.4 | K52 T56 S65 T66 E280 | K52-Y54 PolarHBondContact O-N 2.77Å; Y54-T56 WeakPolarHBondContact CE1-OG1 3Å; Y54-S65 WeakPolarHBondContact O-CA 3.06Å; Y54-T66 HydrophobicContact CD1-CG2 4.06Å; Y54-T66 PolarHBondContact N-O 3.13Å; Y54-T66 PolarHBondContact O-N 2.62Å; Y54-T66 VanDerWaalsContact O-O 3.11Å; Y54-E280 PolarHBondContact OH-OE1 2.79Å |
| 55 | I | 76.4 | Confident | 75.5 | Confident | 106 Ų | 106 | 87.8 Ų | 87.8 | 54% | 0.544 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 116.8 | -176.5 | -54.8 | 178.7 | 0 | 0 | 0 | 108.4 | L63 C64 | I55-L63 HydrophobicContact CG2-CB 4.37Å; I55-L63 HydrophobicContact CG2-CD2 3.91Å; I55-C64 CarbonylContact C-O 3.58Å; I55-C64 WeakPolarHBondContact CA-O 3.47Å |
| 56 | T | 73.5 | Confident | 75.6 | Confident | 38 Ų | 38 | 88.3 Ų | 88.3 | 23% | 0.233 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.6 | 176.3 | -47.2 | 0 | 0 | 0 | 0 | 109.1 | Y54 C64 | Y54-T56 WeakPolarHBondContact CE1-OG1 3Å; T56-C64 PolarHBondContact N-O 3.47Å; T56-C64 PolarHBondContact O-N 3.08Å |
| 57 | L | 74.9 | Confident | 75.6 | Confident | 119 Ų | 119 | 93 Ų | 93 | 62% | 0.623 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.3 | 173.8 | -150.3 | 79.5 | 0 | 0 | 0 | 109 | L63 | L57-L63 HydrophobicContact CD1-CD2 4.22Å; L57-L63 HydrophobicContact CD1-CG 3.96Å |
| 58 | C | 74.1 | Confident | 75.5 | Confident | 19 Ų | 19 | 94.3 Ų | 94.3 | 13% | 0.128 | 49% | 0.487 | C | S | . | . | trans | -77.7 | 162.6 | 172.1 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | H61 R62 C287 | C58-H61 PolarHBondContact O-N 2.99Å; C58-R62 HydrophobicContact CB-CB 4.31Å; C58-R62 VanDerWaalsContact CB-O 3.31Å; C58-R62 WeakPolarHBondContact CB-O 3.49Å; C58-R62 PolarHBondContact N-O 3.01Å; C58-C287 WeakPolarHBondContact CA-SG 3.37Å; C58-C287 HydrophobicContact CB-CB 3.73Å; C58-C287 WeakPolarHBondContact CB-SG 3.47Å; C58-C287 WeakPolarHBondContact SG-CB 3.2Å; C58-C287 CovalentContact SG-SG 2.04Å; C58-C287 PolarHBondContact SG-SG 3Å | ||
| 59 | Q | 78.3 | Confident | 75.4 | Confident | 152 Ų | 152 | 91.4 Ų | 91.4 | 71% | 0.71 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -52.2 | 143.7 | 169.2 | -60.3 | -176.7 | 28.3 | 0 | 0 | 110.6 | E289 | Q59-E289 PolarHBondContact NE2-OE1 3.33Š|
| 60 | G | 74.4 | Confident | 75.2 | Confident | 74 Ų | 74 | 89 Ų | 89 | 76% | 0.763 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | 77.1 | 22.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R62 | G60-R62 PolarHBondContact O-N 2.9Š|
| 61 | H | 63.2 | Low | 75 | Confident | 163 Ų | 163 | 88.7 Ų | 88.7 | 76% | 0.755 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | 63.2 | 15 | 178.5 | -57.7 | 90.5 | 0 | 0 | 0 | 115.7 | C58 | C58-H61 PolarHBondContact O-N 2.99Š|
| 62 | R | 72.2 | Confident | 74.7 | Confident | 195 Ų | 195 | 85.2 Ų | 85.2 | 74% | 0.736 | 44% | 0.442 | S | S | * | . | trans | -77.5 | 127.1 | 174.7 | -176.3 | 177.5 | -179.5 | -176.4 | -1.1 | 110 | C58 G60 | C58-R62 HydrophobicContact CB-CB 4.31Å; C58-R62 VanDerWaalsContact CB-O 3.31Å; C58-R62 WeakPolarHBondContact CB-O 3.49Å; C58-R62 PolarHBondContact N-O 3.01Å; G60-R62 PolarHBondContact O-N 2.9Å | ||
| 63 | L | 73.9 | Confident | 74.5 | Confident | 115 Ų | 115 | 81.2 Ų | 81.2 | 60% | 0.602 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.5 | 176.3 | -58 | 96.7 | 0 | 0 | 0 | 110.6 | I55 L57 | I55-L63 HydrophobicContact CG2-CB 4.37Å; I55-L63 HydrophobicContact CG2-CD2 3.91Å; L57-L63 HydrophobicContact CD1-CD2 4.22Å; L57-L63 HydrophobicContact CD1-CG 3.96Å |
| 64 | C | 74.6 | Confident | 74.4 | Confident | 30 Ų | 30 | 77.2 Ų | 77.2 | 20% | 0.203 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115.2 | 164.2 | -159.7 | 0 | 0 | 0 | 0 | 107.6 | I55 T56 C285 | I55-C64 CarbonylContact C-O 3.58Å; I55-C64 WeakPolarHBondContact CA-O 3.47Å; T56-C64 PolarHBondContact N-O 3.47Å; T56-C64 PolarHBondContact O-N 3.08Å; C64-C285 HydrophobicContact CB-CB 4.1Å; C64-C285 WeakPolarHBondContact CB-SG 3.33Å; C64-C285 WeakPolarHBondContact SG-CB 3.46Å; C64-C285 CovalentContact SG-SG 2.05Å; C64-C285 PolarHBondContact SG-SG 3.23Å |
| 65 | S | 72.3 | Confident | 74.5 | Confident | 91 Ų | 91 | 80 Ų | 80 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.8 | 177.3 | 59.5 | 0 | 0 | 0 | 0 | 110.7 | Y54 | Y54-S65 WeakPolarHBondContact O-CA 3.06Å |
| 66 | T | 75.8 | Confident | 74.5 | Confident | 41 Ų | 41 | 81.1 Ų | 81.1 | 25% | 0.252 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | -179.2 | 177.3 | -168.8 | 0 | 0 | 0 | 0 | 110 | Y54 C285 | Y54-T66 HydrophobicContact CD1-CG2 4.06Å; Y54-T66 PolarHBondContact N-O 3.13Å; Y54-T66 PolarHBondContact O-N 2.62Å; Y54-T66 VanDerWaalsContact O-O 3.11Å; T66-C285 HydrophobicContact CG2-CB 4.06Å |
| 67 | Y | 72.8 | Confident | 74.5 | Confident | 171 Ų | 171 | 86.1 Ų | 86.1 | 67% | 0.671 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.5 | 175.6 | -68.4 | -84.5 | 0 | 0 | 0 | 110.2 | H51 K52 P53 | H51-Y67 HydrophobicContact CB-CD1 4.48Å; K52-Y67 WeakPolarHBondContact O-CA 3.38Å; P53-Y67 HydrophobicContact CB-CE1 4.43Å |
| 68 | K | 75.4 | Confident | 74.5 | Confident | 52 Ų | 52 | 81.8 Ų | 81.8 | 23% | 0.226 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131 | 174.1 | -179.7 | 166.5 | 179.7 | 159.1 | 0 | 109.5 | H51 K52 T70 G276 | H51-K68 WeakPolarHBondContact CA-O 3.38Å; K52-K68 PolarHBondContact N-O 2.87Å; K52-K68 PolarHBondContact O-N 2.91Å; K68-T70 HydrophobicContact CG-CG2 4.49Å; K68-T70 PolarHBondContact O-N 3.32Å; K68-G276 VanDerWaalsContact NZ-C 3.34Å; K68-G276 PolarHBondContact NZ-O 2.94Å |
| 69 | T | 76.1 | Confident | 74.2 | Confident | 26 Ų | 26 | 85 Ų | 85 | 16% | 0.16 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 118.5 | 174.6 | -57 | 0 | 0 | 0 | 0 | 108.8 | P49 H51 Y71 | P49-T69 HydrophobicContact CB-CG2 3.99Å; H51-T69 PolarHBondContact CE1-OG1 3.02Å; H51-T69 PolarHBondContact ND1-OG1 3.03Å; H51-T69 VanDerWaalsContact ND1-OG1 3.12Å; T69-Y71 HydrophobicContact CG2-CE1 4.36Å; T69-Y71 HydrophobicContact CG2-CE2 4.21Å |
| 70 | T | 76.3 | Confident | 73.5 | Confident | 16 Ų | 16 | 82.8 Ų | 82.8 | 10% | 0.098 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 148.2 | 168.6 | 59 | 0 | 0 | 0 | 0 | 108.9 | V50 K52 K68 | V50-T70 WeakPolarHBondContact CA-O 3.42Å; V50-T70 PolarHBondContact N-O 2.75Å; V50-T70 PolarHBondContact O-N 3.07Å; V50-T70 PolarHBondContact O-OG1 3.09Å; K52-T70 HydrophobicContact CD-CG2 3.98Å; K52-T70 WeakPolarHBondContact CD-OG1 3.06Å; K52-T70 WeakPolarHBondContact CE-OG1 3.42Å; K52-T70 PolarHBondContact NZ-OG1 3.02Å; K68-T70 HydrophobicContact CG-CG2 4.49Å; K68-T70 PolarHBondContact O-N 3.32Å |
| 71 | Y | 77.1 | Confident | 72.8 | Confident | 46 Ų | 46 | 84.6 Ų | 84.6 | 18% | 0.18 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.9 | 179.9 | -66.7 | -81.8 | 0 | 0 | 0 | 109.7 | A47 P49 T69 L232 I268 I275 | A47-Y71 HydrophobicContact CB-CD1 4.07Å; A47-Y71 HydrophobicContact CB-CG 4.48Å; P49-Y71 HydrophobicContact CB-CD1 4.32Å; P49-Y71 HydrophobicContact CB-CE1 4.07Å; T69-Y71 HydrophobicContact CG2-CE1 4.36Å; T69-Y71 HydrophobicContact CG2-CE2 4.21Å; Y71-L232 HydrophobicContact CD1-CD2 4.36Å; Y71-L232 HydrophobicContact CD2-CD2 3.69Å; Y71-L232 HydrophobicContact CE2-CD2 4.24Å; Y71-L232 HydrophobicContact CG-CD2 3.77Å; Y71-I268 WeakPolarHBondContact O-CG2 2.93Å; Y71-I275 HydrophobicContact CE2-CD1 4.39Å |
| 72 | S | 76.1 | Confident | 72.5 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 154.1 | 174.5 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | A47 Q48 V50 | A47-S72 CarbonylContact C-O 3.5Å; A47-S72 WeakPolarHBondContact CA-O 3.35Å; Q48-S72 PolarHBondContact N-O 2.73Å; Q48-S72 PolarHBondContact O-N 3.02Å; V50-S72 WeakPolarHBondContact CG2-OG 3.3Å |
| 73 | L | 75.2 | Confident | 71.6 | Confident | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 123.5 | 176.4 | -170.1 | 60.4 | 0 | 0 | 0 | 110.4 | Y75 L236 L265 I268 | L73-Y75 WeakPolarHBondContact CD2-OH 3.02Å; L73-Y75 HydrophobicContact CG-CE2 4.38Å; L73-L236 HydrophobicContact CD1-CD2 3.78Å; L73-L265 HydrophobicContact CB-CD2 3.61Å; L73-L265 HydrophobicContact CD2-CD2 3.67Å; L73-L265 HydrophobicContact CD2-CG 4.02Å; L73-L265 HydrophobicContact CG-CD2 4.31Å; L73-I268 HydrophobicContact CB-CD1 4.08Å; L73-I268 HydrophobicContact CD1-CD1 3.84Å; L73-I268 HydrophobicContact CD2-CD1 4.48Å; L73-I268 HydrophobicContact CG-CD1 4.36Å |
| 74 | A | 76.4 | Confident | 70.6 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 12% | 0.116 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 163.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S45 Y46 Q48 | S45-A74 CarbonylContact C-O 3.49Å; S45-A74 VanDerWaalsContact CA-O 3.29Å; S45-A74 WeakPolarHBondContact CA-O 3.03Å; Y46-A74 HydrophobicContact CD1-CB 4.14Å; Y46-A74 WeakPolarHBondContact CD1-O 3.35Å; Y46-A74 HydrophobicContact CD2-CB 4.44Å; Y46-A74 HydrophobicContact CE1-CB 3.58Å; Y46-A74 HydrophobicContact CE2-CB 3.93Å; Y46-A74 VanDerWaalsContact CZ-CB 3.45Å; Y46-A74 PolarHBondContact N-O 2.88Å; Y46-A74 PolarHBondContact O-N 3.15Å; Q48-A74 HydrophobicContact CB-CB 3.92Å |
| 75 | Y | 74.8 | Confident | 69.4 | Low | 137 Ų | 137 | 77.5 Ų | 77.5 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.6 | -175.5 | -58.4 | -87 | 0 | 0 | 0 | 110.8 | T43 E44 L73 | T43-Y75 HydrophobicContact CG2-CD1 4.07Å; T43-Y75 HydrophobicContact CG2-CG 4.48Å; E44-Y75 WeakPolarHBondContact O-CA 3.03Å; L73-Y75 WeakPolarHBondContact CD2-OH 3.02Å; L73-Y75 HydrophobicContact CG-CE2 4.38Å |
| 76 | R | 76.8 | Confident | 68.3 | Low | 129 Ų | 129 | 81.4 Ų | 81.4 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 149.8 | 173.7 | 61 | 179 | -174.8 | -163.1 | 2.5 | 110.6 | E44 Y46 V78 | E44-R76 HydrophobicContact CB-CG 4.33Å; E44-R76 PolarHBondContact N-O 3.28Å; E44-R76 PolarHBondContact O-N 3.27Å; E44-R76 IonicContact OE2-CZ 3.53Å; E44-R76 IonicContact OE2-NE 3.58Å; E44-R76 PolarHBondContact OE2-NE 2.79Å; E44-R76 IonicContact OE2-NH2 2.73Å; E44-R76 PolarHBondContact OE2-NH2 2.86Å; Y46-R76 HydrophobicContact CD1-CB 4.45Å; Y46-R76 HydrophobicContact CD1-CG 4Å; Y46-R76 HydrophobicContact CE1-CB 4.1Å; Y46-R76 HydrophobicContact CE1-CG 4.14Å; R76-V78 HydrophobicContact CG-CG1 4.11Å |
| 77 | Q | 74.3 | Confident | 67.4 | Low | 144 Ų | 144 | 85.9 Ų | 85.9 | 67% | 0.673 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.9 | 167.6 | -70.6 | -179.9 | -17.1 | 0 | 0 | 109.1 | L41 | L41-Q77 HydrophobicContact CD2-CB 4.5Å |
| 78 | V | 73.9 | Confident | 66.6 | Low | 27 Ų | 27 | 83.7 Ų | 83.7 | 16% | 0.164 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.1 | 173 | -65.9 | 0 | 0 | 0 | 0 | 110.1 | A42 E44 R76 R80 | A42-V78 HydrophobicContact CB-CG2 4.19Å; A42-V78 PolarHBondContact N-O 3.45Å; A42-V78 PolarHBondContact O-N 3.39Å; E44-V78 HydrophobicContact CB-CG1 4.2Å; E44-V78 HydrophobicContact CB-CG2 3.65Å; E44-V78 HydrophobicContact CG-CG2 4.48Å; R76-V78 HydrophobicContact CG-CG1 4.11Å; V78-R80 HydrophobicContact CG2-CG 4.12Å; V78-R80 PolarHBondContact O-N 3.22Å |
| 79 | S | 67.4 | Low | 66.3 | Low | 88 Ų | 88 | 84 Ų | 84 | 62% | 0.615 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 100.3 | 171.3 | 51.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 80 | R | 65.1 | Low | 66.3 | Low | 105 Ų | 105 | 86.7 Ų | 86.7 | 40% | 0.396 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.9 | 174 | -74.8 | 176.1 | 173.6 | -99.7 | -3.1 | 109 | I40 E44 V78 E82 | I40-R80 PolarHBondContact N-O 2.81Å; I40-R80 PolarHBondContact O-N 2.9Å; E44-R80 IonicContact OE1-CZ 3.44Å; E44-R80 IonicContact OE1-NE 3.61Å; E44-R80 IonicContact OE1-NH2 2.75Å; E44-R80 PolarHBondContact OE1-NH2 3.41Å; V78-R80 HydrophobicContact CG2-CG 4.12Å; V78-R80 PolarHBondContact O-N 3.22Å; R80-E82 PolarHBondContact O-N 2.88Å |
| 81 | I | 59.4 | Low | 66.7 | Low | 112 Ų | 112 | 87.3 Ų | 87.3 | 57% | 0.574 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 118.5 | 165.6 | -56.7 | -178.9 | 0 | 0 | 0 | 106.2 | H37 S83 | H37-I81 HydrophobicContact CB-CG2 4.31Å; I81-S83 PolarHBondContact O-N 3.31Å |
| 82 | E | 57.4 | Low | 67.1 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | trans | -65.8 | 103.8 | 169.7 | -174.2 | 170.6 | -134.5 | 0 | 0 | 109 | N38 I40 R80 A84 | N38-E82 HydrophobicContact CB-CB 4.3Å; N38-E82 PolarHBondContact O-N 3.08Å; N38-E82 VanDerWaalsContact O-N 3.15Å; I40-E82 HydrophobicContact CD1-CB 4.03Å; I40-E82 HydrophobicContact CD1-CG 4.31Å; I40-E82 HydrophobicContact CG1-CB 4.47Å; R80-E82 PolarHBondContact O-N 2.88Å; E82-A84 PolarHBondContact O-N 3.46Å | ||
| 83 | S | 52.7 | Low | 67.5 | Low | 107 Ų | 107 | 87.7 Ų | 87.7 | 75% | 0.748 | 46% | 0.457 | S | S | * | . | trans | -72.5 | 81 | 174.6 | 57.3 | 0 | 0 | 0 | 0 | 109.2 | I81 S85 | I81-S83 PolarHBondContact O-N 3.31Å; S83-S85 PolarHBondContact O-N 2.04Å | ||
| 84 | A | 51.8 | Low | 68 | Low | 49 Ų | 49 | 87.5 Ų | 87.5 | 41% | 0.405 | 46% | 0.462 | S | S | . | . | trans | -50.8 | 102.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E82 H86 F87 | E82-A84 PolarHBondContact O-N 3.46Å; A84-H86 PolarHBondContact O-N 2.03Å; A84-F87 HydrophobicContact CB-CB 4.39Å; A84-F87 HydrophobicContact CB-CD2 4.37Å | ||
| 85 | S | 50.6 | Low | 68.5 | Low | 107 Ų | 107 | 88.8 Ų | 88.8 | 75% | 0.748 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 103.4 | -174.5 | 41.5 | 0 | 0 | 0 | 0 | 110.7 | S83 F87 | S83-S85 PolarHBondContact O-N 2.04Å; S85-F87 PolarHBondContact O-N 3.48Å |
| 86 | H | 48.9 | Very low | 69.1 | Low | 173 Ų | 173 | 88.1 Ų | 88.1 | 80% | 0.801 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 45.1 | 175.4 | -60.5 | -85.6 | 0 | 0 | 0 | 114.9 | A84 Y88 | A84-H86 PolarHBondContact O-N 2.03Å; H86-Y88 VanDerWaalsContact C-N 3.29Å; H86-Y88 PolarHBondContact O-N 3.39Å |
| 87 | F | 56.8 | Low | 69.6 | Low | 136 Ų | 136 | 85.5 Ų | 85.5 | 60% | 0.596 | 45% | 0.45 | S | S | * | . | trans | -64.5 | 92.3 | 162.7 | -121.8 | -85.5 | 0 | 0 | 0 | 109.9 | A84 S85 | A84-F87 HydrophobicContact CB-CB 4.39Å; A84-F87 HydrophobicContact CB-CD2 4.37Å; S85-F87 PolarHBondContact O-N 3.48Å | ||
| 88 | Y | 57.1 | Low | 70 | Confident | 124 Ų | 124 | 83.9 Ų | 83.9 | 49% | 0.486 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 127.6 | 159 | -79.4 | -83.6 | 0 | 0 | 0 | 107.1 | H86 D90 H101 | H86-Y88 VanDerWaalsContact C-N 3.29Å; H86-Y88 PolarHBondContact O-N 3.39Å; Y88-D90 PolarHBondContact O-N 3.45Å; Y88-H101 HydrophobicContact CD1-CB 4.25Å; Y88-H101 HydrophobicContact CE1-CB 3.78Å; Y88-H101 AromaticContact CE1-ND1 3.93Å; Y88-H101 AromaticContact CE2-ND1 3.48Å; Y88-H101 WeakPolarHBondContact CE2-ND1 3.1Å; Y88-H101 AromaticContact CZ-CG 3.83Å; Y88-H101 AromaticContact CZ-ND1 3.34Å; Y88-H101 VanDerWaalsContact CZ-ND1 3.34Å; Y88-H101 PolarHBondContact OH-ND1 2.97Å |
| 89 | P | 67.8 | Low | 70.1 | Confident | 60 Ų | 60 | 90.9 Ų | 90.9 | 39% | 0.39 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 137 | -177.4 | 21.6 | -32.8 | 0 | 0 | 0 | 110.6 | A30 R97 | A30-P89 HydrophobicContact CB-CB 4.25Å; A30-P89 HydrophobicContact CB-CG 4.01Å; P89-R97 PolarHBondContact O-NH2 3.3Å |
| 90 | D | 76.7 | Confident | 70.6 | Confident | 82 Ų | 82 | 89.3 Ų | 89.3 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -57 | 155.9 | -178.1 | -77.8 | -55.9 | 0 | 0 | 0 | 111.8 | A30 C31 Y88 | A30-D90 CarbonylContact C-O 3.28Å; A30-D90 VanDerWaalsContact CA-O 3.28Å; A30-D90 WeakPolarHBondContact CA-O 3.46Å; C31-D90 PolarHBondContact N-O 2.94Å; C31-D90 PolarHBondContact O-N 2.95Å; C31-D90 VanDerWaalsContact O-O 3.07Å; Y88-D90 PolarHBondContact O-N 3.45Å |
| 91 | C | 83.6 | Confident | 71.2 | Confident | 29 Ų | 29 | 89.6 Ų | 89.6 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | B | Isolated β-bridge | trans | -74.7 | 133.8 | 173.4 | -60.9 | 0 | 0 | 0 | 0 | 109.4 | W95 C103 | C91-W95 HydrophobicContact CB-CB 3.99Å; C91-W95 WeakPolarHBondContact CB-O 3.29Å; C91-C103 WeakPolarHBondContact CA-SG 3.37Å; C91-C103 HydrophobicContact CB-CB 3.71Å; C91-C103 WeakPolarHBondContact CB-SG 3.46Å; C91-C103 WeakPolarHBondContact SG-CB 3.22Å; C91-C103 CovalentContact SG-SG 2.04Å; C91-C103 PolarHBondContact SG-SG 3.34Å |
| 92 | C | 85.5 | Confident | 72.2 | Confident | 12 Ų | 12 | 88.6 Ų | 88.6 | 8% | 0.081 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 150 | 175.4 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | R29 C31 G94 W95 | R29-C92 PolarHBondContact O-N 2.9Å; R29-C92 PolarHBondContact O-SG 2.84Å; C31-C92 HydrophobicContact CB-CB 3.95Å; C31-C92 WeakPolarHBondContact CB-SG 3.44Å; C31-C92 PolarHBondContact N-SG 3.15Å; C31-C92 WeakPolarHBondContact SG-CB 3.4Å; C31-C92 CovalentContact SG-SG 2.04Å; C31-C92 PolarHBondContact SG-SG 2.91Å; C92-G94 PolarHBondContact O-N 3.48Å; C92-W95 WeakPolarHBondContact O-CB 3.23Å; C92-W95 PolarHBondContact O-N 3.1Å |
| 93 | P | 84.6 | Confident | 73.6 | Confident | 88 Ų | 88 | 84.6 Ų | 84.6 | 57% | 0.571 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 128 | -179 | -31.4 | 36.1 | 0 | 0 | 0 | 113.5 | F22 | F22-P93 HydrophobicContact CD2-CG 4.1Å; F22-P93 HydrophobicContact CE2-CG 3.77Å; F22-P93 HydrophobicContact CZ-CG 4.23Å |
| 94 | G | 85.9 | Confident | 75.2 | Confident | 24 Ų | 24 | 84.2 Ų | 84.2 | 25% | 0.247 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 7.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.9 | C92 L107 | C92-G94 PolarHBondContact O-N 3.48Å; G94-L107 PolarHBondContact O-N 2.83Å |
| 95 | W | 87.7 | Confident | 76.9 | Confident | 41 Ų | 41 | 85 Ų | 85 | 16% | 0.155 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 153 | 171.5 | -63.4 | 94.6 | 0 | 0 | 0 | 111.8 | R29 C91 C92 C103 N104 Q105 A106 P121 | R29-W95 HydrophobicContact CB-CD2 4.31Å; R29-W95 HydrophobicContact CB-CG 4.28Å; R29-W95 HydrophobicContact CG-CD2 4.2Å; R29-W95 HydrophobicContact CG-CZ2 4.35Å; C91-W95 HydrophobicContact CB-CB 3.99Å; C91-W95 WeakPolarHBondContact CB-O 3.29Å; C92-W95 WeakPolarHBondContact O-CB 3.23Å; C92-W95 PolarHBondContact O-N 3.1Å; W95-C103 HydrophobicContact CB-CB 4.37Å; W95-N104 WeakPolarHBondContact CZ3-O 3.37Å; W95-Q105 CarbonylContact C-O 3.57Å; W95-Q105 WeakPolarHBondContact CA-O 3.42Å; W95-A106 HydrophobicContact CE3-CB 4.06Å; W95-A106 HydrophobicContact CH2-CB 4.12Å; W95-A106 HydrophobicContact CZ3-CB 3.68Å; W95-P121 HydrophobicContact CZ2-CG 4.35Å |
| 96 | R | 86.8 | Confident | 78.7 | Confident | 124 Ų | 124 | 80.2 Ų | 80.2 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 166.7 | 171.8 | 66.3 | 174.9 | -85 | -175.8 | 1 | 112.5 | C103 N104 Q105 L107 | R96-C103 CarbonylContact O-C 3.32Å; R96-N104 PolarHBondContact O-N 3.19Å; R96-Q105 HydrophobicContact CG-CB 3.81Å; R96-Q105 HydrophobicContact CG-CG 3.75Å; R96-Q105 PolarHBondContact N-O 3.25Å; R96-Q105 PolarHBondContact O-N 3.27Å; R96-L107 HydrophobicContact CB-CD1 4.17Å; R96-L107 HydrophobicContact CB-CG 4.31Å; R96-L107 HydrophobicContact CG-CD1 4.42Å; R96-L107 HydrophobicContact CG-CD2 4.14Å; R96-L107 HydrophobicContact CG-CG 4.04Å |
| 97 | R | 87.6 | Confident | 80.7 | Confident | 73 Ų | 73 | 75.6 Ų | 75.6 | 28% | 0.275 | 38% | 0.376 | S | S | . | . | trans | -78.2 | 145.9 | 166.6 | -69.4 | 145 | -167.6 | -79 | -14.4 | 110.1 | P89 H101 | P89-R97 PolarHBondContact O-NH2 3.3Å; R97-H101 PolarHBondContact NH1-O 2.8Å | ||
| 98 | F | 82 | Confident | 82.3 | Confident | 110 Ų | 110 | 70.2 Ų | 70.2 | 48% | 0.482 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -154.5 | 116 | 176.7 | -174.9 | -108.7 | 0 | 0 | 0 | 108.2 | S100 Q105 | F98-S100 PolarHBondContact O-N 2.05Å; F98-Q105 HydrophobicContact CB-CB 3.72Å; F98-Q105 HydrophobicContact CB-CG 4.18Å; F98-Q105 HydrophobicContact CG-CB 4.5Å |
| 99 | H | 77.1 | Confident | 83.8 | Confident | 175 Ų | 175 | 68.7 Ų | 68.7 | 81% | 0.81 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 51.7 | 15.4 | -177.2 | -60.8 | 93.3 | 0 | 0 | 0 | 116.4 | ||
| 100 | S | 78.6 | Confident | 84.8 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -164.7 | 160.4 | -174.6 | -170.2 | 0 | 0 | 0 | 0 | 111.6 | F98 N102 | F98-S100 PolarHBondContact O-N 2.05Å; S100-N102 PolarHBondContact O-N 2.76Å; S100-N102 VanDerWaalsContact O-N 3.15Å; S100-N102 PolarHBondContact OG-ND2 3.19Å |
| 101 | H | 75.9 | Confident | 85.5 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -75 | 11 | 172.8 | -57.6 | -94.2 | 0 | 0 | 0 | 113.8 | Y88 R97 | Y88-H101 HydrophobicContact CD1-CB 4.25Å; Y88-H101 HydrophobicContact CE1-CB 3.78Å; Y88-H101 AromaticContact CE1-ND1 3.93Å; Y88-H101 AromaticContact CE2-ND1 3.48Å; Y88-H101 WeakPolarHBondContact CE2-ND1 3.1Å; Y88-H101 AromaticContact CZ-CG 3.83Å; Y88-H101 AromaticContact CZ-ND1 3.34Å; Y88-H101 VanDerWaalsContact CZ-ND1 3.34Å; Y88-H101 PolarHBondContact OH-ND1 2.97Å; R97-H101 PolarHBondContact NH1-O 2.8Å |
| 102 | N | 82.3 | Confident | 86 | Confident | 90 Ų | 90 | 71.2 Ų | 71.2 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -107.8 | 137.8 | -178.1 | -65.3 | -54.5 | 0 | 0 | 0 | 111.5 | S100 N104 | S100-N102 PolarHBondContact O-N 2.76Å; S100-N102 VanDerWaalsContact O-N 3.15Å; S100-N102 PolarHBondContact OG-ND2 3.19Å; N102-N104 WeakPolarHBondContact CB-OD1 3.22Å; N102-N104 PolarHBondContact O-N 3.35Å |
| 103 | C | 85.9 | Confident | 86.5 | Confident | 7 Ų | 7 | 72 Ų | 72 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | trans | -77.9 | 59.4 | 179.8 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | R29 C91 W95 R96 | R29-C103 HydrophobicContact CB-CB 4.06Å; R29-C103 WeakPolarHBondContact CB-O 3.46Å; R29-C103 WeakPolarHBondContact CD-O 3.47Å; R29-C103 VanDerWaalsContact O-CB 3.32Å; R29-C103 WeakPolarHBondContact O-CB 3.19Å; C91-C103 WeakPolarHBondContact CA-SG 3.37Å; C91-C103 HydrophobicContact CB-CB 3.71Å; C91-C103 WeakPolarHBondContact CB-SG 3.46Å; C91-C103 WeakPolarHBondContact SG-CB 3.22Å; C91-C103 CovalentContact SG-SG 2.04Å; C91-C103 PolarHBondContact SG-SG 3.34Å; W95-C103 HydrophobicContact CB-CB 4.37Å; R96-C103 CarbonylContact O-C 3.32Å | ||
| 104 | N | 85.4 | Confident | 87 | Confident | 98 Ų | 98 | 71.5 Ų | 71.5 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | trans | -91.2 | -26.1 | -168.2 | -70.6 | -5.9 | 0 | 0 | 0 | 113.7 | R29 W95 R96 N102 | R29-N104 PolarHBondContact NH1-O 3.29Å; W95-N104 WeakPolarHBondContact CZ3-O 3.37Å; R96-N104 PolarHBondContact O-N 3.19Å; N102-N104 WeakPolarHBondContact CB-OD1 3.22Å; N102-N104 PolarHBondContact O-N 3.35Å | ||
| 105 | Q | 87.5 | Confident | 87.3 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.6 | -173.4 | 177.6 | 61.7 | 46.6 | 0 | 0 | 110.2 | W95 R96 F98 | W95-Q105 CarbonylContact C-O 3.57Å; W95-Q105 WeakPolarHBondContact CA-O 3.42Å; R96-Q105 HydrophobicContact CG-CB 3.81Å; R96-Q105 HydrophobicContact CG-CG 3.75Å; R96-Q105 PolarHBondContact N-O 3.25Å; R96-Q105 PolarHBondContact O-N 3.27Å; F98-Q105 HydrophobicContact CB-CB 3.72Å; F98-Q105 HydrophobicContact CB-CG 4.18Å; F98-Q105 HydrophobicContact CG-CB 4.5Å |
| 106 | A | 89.8 | Confident | 87.7 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 149.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W95 C118 | W95-A106 HydrophobicContact CE3-CB 4.06Å; W95-A106 HydrophobicContact CH2-CB 4.12Å; W95-A106 HydrophobicContact CZ3-CB 3.68Å; A106-C118 HydrophobicContact CB-CB 4.39Å |
| 107 | L | 90.3 | Very high | 88 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 40% | 0.398 | 41% | 0.405 | S | S | . | . | trans | -108.8 | 131.1 | 170.5 | -74.1 | 173.8 | 0 | 0 | 0 | 109.8 | G94 R96 P121 N122 | G94-L107 PolarHBondContact O-N 2.83Å; R96-L107 HydrophobicContact CB-CD1 4.17Å; R96-L107 HydrophobicContact CB-CG 4.31Å; R96-L107 HydrophobicContact CG-CD1 4.42Å; R96-L107 HydrophobicContact CG-CD2 4.14Å; R96-L107 HydrophobicContact CG-CG 4.04Å; L107-P121 WeakPolarHBondContact O-CA 3.03Å; L107-N122 PolarHBondContact O-N 2.04Å | ||
| 108 | C | 90.4 | Very high | 88.3 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | trans | -111.3 | 124.9 | 169.2 | -71.2 | 0 | 0 | 0 | 0 | 105.8 | E110 C118 K123 | C108-E110 CarbonylContact C-O 3.47Å; C108-E110 VanDerWaalsContact CB-O 3.24Å; C108-E110 WeakPolarHBondContact CB-O 3.21Å; C108-E110 PolarHBondContact O-N 2.81Å; C108-C118 HydrophobicContact CB-CB 3.99Å; C108-C118 WeakPolarHBondContact CB-SG 3.34Å; C108-C118 PolarHBondContact N-SG 2.83Å; C108-C118 WeakPolarHBondContact SG-CB 3.14Å; C108-C118 CovalentContact SG-SG 2.05Å; C108-C118 PolarHBondContact SG-SG 3.19Å; C108-K123 PolarHBondContact SG-N 2.95Å | ||
| 109 | A | 87.9 | Confident | 88.7 | Confident | 93 Ų | 93 | 68.5 Ų | 68.5 | 77% | 0.769 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -60.5 | -34.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | N122 | A109-N122 WeakPolarHBondContact CB-OD1 3.04Å; A109-N122 PolarHBondContact N-OD1 3.34Å |
| 110 | E | 89.9 | Confident | 89.2 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 49% | 0.486 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -106 | 144.1 | 161 | -59.7 | -164 | 98.4 | 0 | 0 | 110.3 | C108 R134 | C108-E110 CarbonylContact C-O 3.47Å; C108-E110 VanDerWaalsContact CB-O 3.24Å; C108-E110 WeakPolarHBondContact CB-O 3.21Å; C108-E110 PolarHBondContact O-N 2.81Å; E110-R134 IonicContact OE1-CZ 2.88Å; E110-R134 IonicContact OE1-NH1 3.91Å; E110-R134 PolarHBondContact OE1-NH1 2.8Å; E110-R134 VanDerWaalsContact OE2-CD 3.22Å; E110-R134 WeakPolarHBondContact OE2-CD 2.99Å; E110-R134 IonicContact OE2-CZ 3.65Å; E110-R134 IonicContact OE2-NE 2.68Å; E110-R134 IonicContact OE2-NH1 3.2Å; E110-R134 PolarHBondContact OE2-NH1 2.93Å |
| 111 | P | 91.3 | Very high | 89.6 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 145.9 | 178.8 | 28.7 | -34.6 | 0 | 0 | 0 | 112.2 | R134 | P111-R134 PolarHBondContact O-NE 3.04Å; P111-R134 PolarHBondContact O-NH2 2.77Å; P111-R134 VanDerWaalsContact O-NH2 3.15Å |
| 112 | C | 94.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -66 | 135.2 | 168.5 | -51.7 | 0 | 0 | 0 | 0 | 110.1 | G116 C124 | C112-G116 VanDerWaalsContact CB-O 3.31Å; C112-G116 WeakPolarHBondContact CB-O 3.24Å; C112-C124 VanDerWaalsContact CA-SG 3.54Å; C112-C124 HydrophobicContact CB-CB 3.87Å; C112-C124 WeakPolarHBondContact CB-SG 3.18Å; C112-C124 WeakPolarHBondContact SG-CB 2.99Å; C112-C124 CovalentContact SG-SG 2.03Å; C112-C124 PolarHBondContact SG-SG 3.4Å |
| 113 | A | 95.2 | Very high | 90.6 | Very high | 29 Ų | 29 | 68.9 Ų | 68.9 | 24% | 0.24 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -84.1 | 169.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G115 G116 R134 Q136 | A113-G115 VanDerWaalsContact C-N 3.28Å; A113-G115 PolarHBondContact O-N 2.83Å; A113-G115 VanDerWaalsContact O-N 3.08Å; A113-G116 PolarHBondContact O-N 3.25Å; A113-R134 PolarHBondContact N-O 3.48Å; A113-Q136 HydrophobicContact CB-CB 4.26Å |
| 114 | N | 95.1 | Very high | 91.1 | Very high | 76 Ų | 76 | 69.3 Ų | 69.3 | 41% | 0.406 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 36.1 | 163.6 | -53.3 | -43.3 | 0 | 0 | 0 | 115.6 | G116 P127 W130 C135 | N114-G116 VanDerWaalsContact C-N 3.3Å; N114-G116 PolarHBondContact O-N 3.12Å; N114-P127 VanDerWaalsContact O-CG 3.25Å; N114-P127 WeakPolarHBondContact O-CG 3.26Å; N114-W130 HydrophobicContact CB-CD2 3.59Å; N114-W130 HydrophobicContact CB-CE3 4Å; N114-W130 HydrophobicContact CB-CG 3.99Å; N114-W130 HydrophobicContact CB-CH2 4.32Å; N114-W130 HydrophobicContact CB-CZ2 3.95Å; N114-W130 HydrophobicContact CB-CZ3 4.36Å; N114-W130 WeakPolarHBondContact ND2-CZ3 3.25Å; N114-C135 PolarHBondContact ND2-O 3.02Å |
| 115 | G | 92.8 | Very high | 91.5 | Very high | 69 Ų | 69 | 66 Ų | 66 | 71% | 0.711 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 7.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A113 | A113-G115 VanDerWaalsContact C-N 3.28Å; A113-G115 PolarHBondContact O-N 2.83Å; A113-G115 VanDerWaalsContact O-N 3.08Å |
| 116 | G | 94.4 | Very high | 92 | Very high | 14 Ų | 14 | 65 Ų | 65 | 14% | 0.144 | 39% | 0.392 | C | S | . | . | trans | -61.9 | 151.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | C112 A113 N114 A125 | C112-G116 VanDerWaalsContact CB-O 3.31Å; C112-G116 WeakPolarHBondContact CB-O 3.24Å; A113-G116 PolarHBondContact O-N 3.25Å; N114-G116 VanDerWaalsContact C-N 3.3Å; N114-G116 PolarHBondContact O-N 3.12Å; G116-A125 CarbonylContact C-O 3.45Å; G116-A125 WeakPolarHBondContact CA-O 3.13Å | ||
| 117 | T | 93.9 | Very high | 92.3 | Very high | 88 Ų | 88 | 66.8 Ų | 66.8 | 54% | 0.54 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.6 | -177.5 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | L119 C124 A125 | T117-L119 PolarHBondContact O-N 3.03Å; T117-C124 CarbonylContact O-C 3.59Å; T117-C124 WeakPolarHBondContact O-CA 3.33Å; T117-A125 PolarHBondContact N-O 2.92Å; T117-A125 PolarHBondContact O-N 3.15Å |
| 118 | C | 93.5 | Very high | 92.5 | Very high | 25 Ų | 25 | 69.1 Ų | 69.1 | 17% | 0.169 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 108.6 | 179.1 | -167.3 | 0 | 0 | 0 | 0 | 110.1 | A106 C108 K120 | A106-C118 HydrophobicContact CB-CB 4.39Å; C108-C118 HydrophobicContact CB-CB 3.99Å; C108-C118 WeakPolarHBondContact CB-SG 3.34Å; C108-C118 PolarHBondContact N-SG 2.83Å; C108-C118 WeakPolarHBondContact SG-CB 3.14Å; C108-C118 CovalentContact SG-SG 2.05Å; C108-C118 PolarHBondContact SG-SG 3.19Å; C118-K120 PolarHBondContact SG-O 2.82Å |
| 119 | L | 90.7 | Very high | 92.7 | Very high | 114 Ų | 114 | 68.4 Ų | 68.4 | 60% | 0.597 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | -35.5 | -178.6 | -91.7 | -175.7 | 0 | 0 | 0 | 113.1 | T117 K123 A125 | T117-L119 PolarHBondContact O-N 3.03Å; L119-K123 PolarHBondContact N-O 2.04Å; L119-A125 HydrophobicContact CD1-CB 3.65Å; L119-A125 HydrophobicContact CG-CB 3.74Å |
| 120 | K | 87.6 | Confident | 93.1 | Very high | 134 Ų | 134 | 66.4 Ų | 66.4 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 161.4 | -177.7 | -65.9 | -171.1 | -178.5 | -173.7 | 0 | 108.2 | C118 N122 K123 | C118-K120 PolarHBondContact SG-O 2.82Å; K120-N122 PolarHBondContact O-N 3.48Å; K120-N122 VanDerWaalsContact O-N 3.1Å; K120-K123 HydrophobicContact CB-CB 4.32Å; K120-K123 PolarHBondContact N-O 2.87Å; K120-K123 PolarHBondContact O-N 3.03Å |
| 121 | P | 87.6 | Confident | 93.3 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 33% | 0.325 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.3 | 119.8 | 172.7 | -31.5 | 34.4 | 0 | 0 | 0 | 112.1 | W95 L107 K123 | W95-P121 HydrophobicContact CZ2-CG 4.35Å; L107-P121 WeakPolarHBondContact O-CA 3.03Å; P121-K123 PolarHBondContact O-N 3.19Å; P121-K123 VanDerWaalsContact O-N 3.15Å |
| 122 | N | 87.5 | Confident | 93.4 | Very high | 115 Ų | 115 | 61.8 Ų | 61.8 | 62% | 0.615 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 29.9 | -178.2 | -59.5 | -23.5 | 0 | 0 | 0 | 116 | L107 A109 K120 | L107-N122 PolarHBondContact O-N 2.04Å; A109-N122 WeakPolarHBondContact CB-OD1 3.04Å; A109-N122 PolarHBondContact N-OD1 3.34Å; K120-N122 PolarHBondContact O-N 3.48Å; K120-N122 VanDerWaalsContact O-N 3.1Å |
| 123 | K | 91.4 | Very high | 93.4 | Very high | 139 Ų | 139 | 66.6 Ų | 66.6 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 114.6 | 173.8 | -173.5 | 167.5 | -176.1 | 166.6 | 0 | 113 | C108 L119 K120 P121 | C108-K123 PolarHBondContact SG-N 2.95Å; L119-K123 PolarHBondContact N-O 2.04Å; K120-K123 HydrophobicContact CB-CB 4.32Å; K120-K123 PolarHBondContact N-O 2.87Å; K120-K123 PolarHBondContact O-N 3.03Å; P121-K123 PolarHBondContact O-N 3.19Å; P121-K123 VanDerWaalsContact O-N 3.15Å |
| 124 | C | 95.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 68.3 Ų | 68.3 | 11% | 0.108 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 147.9 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | C112 T117 C135 | C112-C124 VanDerWaalsContact CA-SG 3.54Å; C112-C124 HydrophobicContact CB-CB 3.87Å; C112-C124 WeakPolarHBondContact CB-SG 3.18Å; C112-C124 WeakPolarHBondContact SG-CB 2.99Å; C112-C124 CovalentContact SG-SG 2.03Å; C112-C124 PolarHBondContact SG-SG 3.4Å; T117-C124 CarbonylContact O-C 3.59Å; T117-C124 WeakPolarHBondContact O-CA 3.33Å; C124-C135 VanDerWaalsContact CB-SG 3.56Å |
| 125 | A | 95.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 64.7 Ų | 64.7 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 137.8 | 148.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | G116 T117 L119 C135 | G116-A125 CarbonylContact C-O 3.45Å; G116-A125 WeakPolarHBondContact CA-O 3.13Å; T117-A125 PolarHBondContact N-O 2.92Å; T117-A125 PolarHBondContact O-N 3.15Å; L119-A125 HydrophobicContact CD1-CB 3.65Å; L119-A125 HydrophobicContact CG-CB 3.74Å; A125-C135 VanDerWaalsContact C-SG 3.58Å; A125-C135 PolarHBondContact O-SG 2.9Å; A125-C135 VanDerWaalsContact O-SG 3.39Å |
| 126 | C | 96.6 | Very high | 93.5 | Very high | 46 Ų | 46 | 65.1 Ų | 65.1 | 31% | 0.311 | 36% | 0.359 | S | S | . | . | trans | -104.5 | 141.1 | 176.5 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | W130 C135 | C126-W130 HydrophobicContact CB-CB 4.2Å; C126-W130 VanDerWaalsContact CB-O 3.26Å; C126-W130 WeakPolarHBondContact CB-O 3.31Å; C126-C135 WeakPolarHBondContact CA-SG 3.2Å; C126-C135 HydrophobicContact CB-CB 3.62Å; C126-C135 WeakPolarHBondContact CB-SG 3.11Å; C126-C135 PolarHBondContact N-SG 2.77Å; C126-C135 WeakPolarHBondContact SG-CA 3.5Å; C126-C135 WeakPolarHBondContact SG-CB 3.08Å; C126-C135 CovalentContact SG-SG 2.04Å; C126-C135 PolarHBondContact SG-SG 3.4Å | ||
| 127 | P | 96 | Very high | 93.6 | Very high | 43 Ų | 43 | 67.6 Ų | 67.6 | 28% | 0.279 | 37% | 0.372 | S | S | . | . | trans | -65.4 | 164.1 | 166.7 | 25.7 | -28.1 | 0 | 0 | 0 | 110.4 | N114 W130 | N114-P127 VanDerWaalsContact O-CG 3.25Å; N114-P127 WeakPolarHBondContact O-CG 3.26Å; P127-W130 HydrophobicContact CG-CG 4.46Å; P127-W130 PolarHBondContact O-N 3.41Å | ||
| 128 | P | 94.2 | Very high | 93.7 | Very high | 125 Ų | 125 | 65.8 Ų | 65.8 | 81% | 0.812 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 148.4 | 170.2 | -25.2 | 35.2 | 0 | 0 | 0 | 111.9 | W130 | P128-W130 VanDerWaalsContact C-N 3.26Å; P128-W130 PolarHBondContact O-N 3.08Å |
| 129 | G | 94.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 67 Ų | 67 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -5.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | V139 | G129-V139 WeakPolarHBondContact O-CB 3.46Å; G129-V139 PolarHBondContact O-N 3.42Å |
| 130 | W | 97.2 | Very high | 94 | Very high | 51 Ų | 51 | 65.6 Ų | 65.6 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.1 | -177.1 | -63.4 | 95.1 | 0 | 0 | 0 | 113.9 | N114 C126 P127 P128 C135 D138 A156 G157 | N114-W130 HydrophobicContact CB-CD2 3.59Å; N114-W130 HydrophobicContact CB-CE3 4Å; N114-W130 HydrophobicContact CB-CG 3.99Å; N114-W130 HydrophobicContact CB-CH2 4.32Å; N114-W130 HydrophobicContact CB-CZ2 3.95Å; N114-W130 HydrophobicContact CB-CZ3 4.36Å; N114-W130 WeakPolarHBondContact ND2-CZ3 3.25Å; C126-W130 HydrophobicContact CB-CB 4.2Å; C126-W130 VanDerWaalsContact CB-O 3.26Å; C126-W130 WeakPolarHBondContact CB-O 3.31Å; P127-W130 HydrophobicContact CG-CG 4.46Å; P127-W130 PolarHBondContact O-N 3.41Å; P128-W130 VanDerWaalsContact C-N 3.26Å; P128-W130 PolarHBondContact O-N 3.08Å; W130-C135 HydrophobicContact CB-CB 4.34Å; W130-D138 HydrophobicContact CE3-CB 4.49Å; W130-D138 HydrophobicContact CZ3-CB 4.06Å; W130-A156 HydrophobicContact CH2-CB 3.91Å; W130-A156 HydrophobicContact CZ2-CB 4.01Å; W130-G157 VanDerWaalsContact NE1-CA 3.26Å |
| 131 | T | 94.7 | Very high | 94.3 | Very high | 69 Ų | 69 | 61.3 Ų | 61.3 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | -179 | -176.9 | -166.7 | 0 | 0 | 0 | 0 | 112.3 | C135 Q136 T137 V139 | T131-C135 CarbonylContact O-C 3.59Å; T131-C135 VanDerWaalsContact O-C 3.28Å; T131-C135 WeakPolarHBondContact O-CA 3.38Å; T131-Q136 PolarHBondContact O-N 3.01Å; T131-T137 HydrophobicContact CG2-CG2 3.86Å; T131-T137 PolarHBondContact N-O 2.88Å; T131-T137 PolarHBondContact O-N 2.82Å; T131-V139 HydrophobicContact CG2-CG2 3.64Å |
| 132 | G | 93.7 | Very high | 94.6 | Very high | 31 Ų | 31 | 60 Ų | 60 | 32% | 0.32 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 86.5 | 164.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R134 C135 | G132-R134 PolarHBondContact O-N 2.98Å; G132-R134 VanDerWaalsContact O-N 3.09Å; G132-C135 PolarHBondContact O-N 3Å |
| 133 | H | 93 | Very high | 94.6 | Very high | 128 Ų | 128 | 57.6 Ų | 57.6 | 59% | 0.593 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.2 | -171.9 | 71 | -72 | 0 | 0 | 0 | 114.8 | ||
| 134 | R | 94.4 | Very high | 94.1 | Very high | 64 Ų | 64 | 54.3 Ų | 54.3 | 24% | 0.242 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 13.6 | 176.6 | -79.3 | 171.8 | 66.1 | -163.2 | 0.2 | 113.4 | E110 P111 A113 G132 Q136 | E110-R134 IonicContact OE1-CZ 2.88Å; E110-R134 IonicContact OE1-NH1 3.91Å; E110-R134 PolarHBondContact OE1-NH1 2.8Å; E110-R134 VanDerWaalsContact OE2-CD 3.22Å; E110-R134 WeakPolarHBondContact OE2-CD 2.99Å; E110-R134 IonicContact OE2-CZ 3.65Å; E110-R134 IonicContact OE2-NE 2.68Å; E110-R134 IonicContact OE2-NH1 3.2Å; E110-R134 PolarHBondContact OE2-NH1 2.93Å; P111-R134 PolarHBondContact O-NE 3.04Å; P111-R134 PolarHBondContact O-NH2 2.77Å; P111-R134 VanDerWaalsContact O-NH2 3.15Å; A113-R134 PolarHBondContact N-O 3.48Å; G132-R134 PolarHBondContact O-N 2.98Å; G132-R134 VanDerWaalsContact O-N 3.09Å; R134-Q136 HydrophobicContact CB-CB 4.44Å; R134-Q136 PolarHBondContact O-N 3.11Å |
| 135 | C | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 62 | 24.4 | -175.3 | -44 | 0 | 0 | 0 | 0 | 113.5 | N114 C124 A125 C126 W130 T131 G132 | N114-C135 PolarHBondContact ND2-O 3.02Å; C124-C135 VanDerWaalsContact CB-SG 3.56Å; A125-C135 VanDerWaalsContact C-SG 3.58Å; A125-C135 PolarHBondContact O-SG 2.9Å; A125-C135 VanDerWaalsContact O-SG 3.39Å; C126-C135 WeakPolarHBondContact CA-SG 3.2Å; C126-C135 HydrophobicContact CB-CB 3.62Å; C126-C135 WeakPolarHBondContact CB-SG 3.11Å; C126-C135 PolarHBondContact N-SG 2.77Å; C126-C135 WeakPolarHBondContact SG-CA 3.5Å; C126-C135 WeakPolarHBondContact SG-CB 3.08Å; C126-C135 CovalentContact SG-SG 2.04Å; C126-C135 PolarHBondContact SG-SG 3.4Å; W130-C135 HydrophobicContact CB-CB 4.34Å; T131-C135 CarbonylContact O-C 3.59Å; T131-C135 VanDerWaalsContact O-C 3.28Å; T131-C135 WeakPolarHBondContact O-CA 3.38Å; G132-C135 PolarHBondContact O-N 3Å |
| 136 | Q | 95.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 70.4 Ų | 70.4 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | trans | -87.3 | -8.5 | -173.7 | 81.7 | -61 | -25.9 | 0 | 0 | 113.6 | A113 T131 R134 | A113-Q136 HydrophobicContact CB-CB 4.26Å; T131-Q136 PolarHBondContact O-N 3.01Å; R134-Q136 HydrophobicContact CB-CB 4.44Å; R134-Q136 PolarHBondContact O-N 3.11Å | ||
| 137 | T | 96 | Very high | 92.3 | Very high | 66 Ų | 66 | 69.4 Ų | 69.4 | 41% | 0.405 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.8 | -178.3 | -60.8 | 0 | 0 | 0 | 0 | 109.4 | T131 | T131-T137 HydrophobicContact CG2-CG2 3.86Å; T131-T137 PolarHBondContact N-O 2.88Å; T131-T137 PolarHBondContact O-N 2.82Å |
| 138 | D | 96.6 | Very high | 92.1 | Very high | 49 Ų | 49 | 68.1 Ų | 68.1 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 149.7 | 174.3 | -171.8 | 51.2 | 0 | 0 | 0 | 111.4 | W130 N154 A156 G157 | W130-D138 HydrophobicContact CE3-CB 4.49Å; W130-D138 HydrophobicContact CZ3-CB 4.06Å; D138-N154 PolarHBondContact OD2-ND2 2.87Å; D138-A156 WeakPolarHBondContact OD1-CA 3.17Å; D138-G157 PolarHBondContact OD1-N 2.79Å |
| 139 | V | 95.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 65.3 Ų | 65.3 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | trans | -104.2 | 100.1 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | G129 T131 E141 | G129-V139 WeakPolarHBondContact O-CB 3.46Å; G129-V139 PolarHBondContact O-N 3.42Å; T131-V139 HydrophobicContact CG2-CG2 3.64Å; V139-E141 HydrophobicContact CG1-CG 4.37Å; V139-E141 PolarHBondContact O-N 2.77Å | ||
| 140 | D | 94.6 | Very high | 92 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | trans | -66.6 | 96.2 | 174.8 | -179.9 | 7.1 | 0 | 0 | 0 | 111.4 | C142 G143 | D140-C142 VanDerWaalsContact C-N 3.26Å; D140-C142 PolarHBondContact O-N 3.37Å; D140-C142 WeakPolarHBondContact OD1-CA 3.41Å; D140-C142 VanDerWaalsContact OD1-CB 3.3Å; D140-C142 WeakPolarHBondContact OD1-CB 3.43Å; D140-C142 PolarHBondContact OD1-N 2.79Å; D140-G143 VanDerWaalsContact CG-N 3.28Å; D140-G143 PolarHBondContact OD1-N 3.22Å; D140-G143 WeakPolarHBondContact OD2-CA 3.07Å; D140-G143 PolarHBondContact OD2-N 2.87Å | ||
| 141 | E | 94.1 | Very high | 91.9 | Very high | 43 Ų | 43 | 69 Ų | 69 | 20% | 0.201 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -72 | -21.1 | 176.8 | -69 | 117.1 | 161.3 | 0 | 0 | 112.9 | V139 R145 P147 S158 Y159 | V139-E141 HydrophobicContact CG1-CG 4.37Å; V139-E141 PolarHBondContact O-N 2.77Å; E141-R145 PolarHBondContact O-N 2.91Å; E141-P147 HydrophobicContact CB-CG 4.29Å; E141-P147 VanDerWaalsContact O-CD 3.23Å; E141-P147 WeakPolarHBondContact O-CD 3.24Å; E141-S158 VanDerWaalsContact OE2-C 3.29Å; E141-Y159 HydrophobicContact CB-CD1 3.66Å; E141-Y159 HydrophobicContact CB-CE1 4.19Å; E141-Y159 HydrophobicContact CB-CG 4.23Å; E141-Y159 HydrophobicContact CG-CD1 3.98Å; E141-Y159 HydrophobicContact CG-CE1 4.33Å; E141-Y159 VanDerWaalsContact OE2-CD1 3.29Å; E141-Y159 WeakPolarHBondContact OE2-CD1 3.1Å |
| 142 | C | 93.3 | Very high | 91.9 | Very high | 23 Ų | 23 | 67.6 Ų | 67.6 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -77.4 | -36.1 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | D140 G144 C152 M153 N154 | D140-C142 VanDerWaalsContact C-N 3.26Å; D140-C142 PolarHBondContact O-N 3.37Å; D140-C142 WeakPolarHBondContact OD1-CA 3.41Å; D140-C142 VanDerWaalsContact OD1-CB 3.3Å; D140-C142 WeakPolarHBondContact OD1-CB 3.43Å; D140-C142 PolarHBondContact OD1-N 2.79Å; C142-G144 PolarHBondContact O-N 2.78Å; C142-G144 VanDerWaalsContact O-N 3.07Å; C142-C152 WeakPolarHBondContact CA-SG 3.03Å; C142-C152 HydrophobicContact CB-CB 3.72Å; C142-C152 WeakPolarHBondContact CB-SG 3.41Å; C142-C152 WeakPolarHBondContact SG-CB 3.21Å; C142-C152 CovalentContact SG-SG 2.04Å; C142-C152 PolarHBondContact SG-SG 3.22Å; C142-M153 PolarHBondContact SG-N 3.41Å; C142-N154 PolarHBondContact SG-N 2.75Å; C142-N154 VanDerWaalsContact SG-N 3.4Å |
| 143 | G | 89 | Confident | 91.9 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 67% | 0.67 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65 | -7.5 | -175 | 0 | 0 | 0 | 0 | 0 | 116.5 | D140 | D140-G143 VanDerWaalsContact CG-N 3.28Å; D140-G143 PolarHBondContact OD1-N 3.22Å; D140-G143 WeakPolarHBondContact OD2-CA 3.07Å; D140-G143 PolarHBondContact OD2-N 2.87Å |
| 144 | G | 80 | Confident | 92.1 | Very high | 69 Ų | 69 | 66.6 Ų | 66.6 | 71% | 0.711 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -152.9 | -35.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | C142 | C142-G144 PolarHBondContact O-N 2.78Å; C142-G144 VanDerWaalsContact O-N 3.07Å |
| 145 | R | 75.9 | Confident | 92.1 | Very high | 224 Ų | 224 | 65.9 Ų | 65.9 | 85% | 0.845 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -91.8 | -13.4 | -172.3 | -164.1 | 171.3 | 179.6 | -174.1 | 0.9 | 114.3 | E141 | E141-R145 PolarHBondContact O-N 2.91Å |
| 146 | Q | 83.6 | Confident | 91.9 | Very high | 160 Ų | 160 | 69.8 Ų | 69.8 | 75% | 0.748 | 41% | 0.408 | S | S | * | . | trans | 37.9 | 62.8 | -173.7 | -66.9 | -162.7 | -20.6 | 0 | 0 | 113.7 | C148 | Q146-C148 PolarHBondContact O-N 3.13Š| ||
| 147 | P | 89.3 | Confident | 91.9 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | trans | -72.4 | 4.8 | -173 | 32.4 | -39.7 | 0 | 0 | 0 | 115.2 | E141 Y159 R174 | E141-P147 HydrophobicContact CB-CG 4.29Å; E141-P147 VanDerWaalsContact O-CD 3.23Å; E141-P147 WeakPolarHBondContact O-CD 3.24Å; P147-Y159 HydrophobicContact CB-CD2 4.31Å; P147-Y159 HydrophobicContact CB-CE1 4.28Å; P147-Y159 HydrophobicContact CB-CE2 3.59Å; P147-Y159 HydrophobicContact CG-CD1 4.26Å; P147-Y159 HydrophobicContact CG-CD2 3.62Å; P147-Y159 HydrophobicContact CG-CE1 4.09Å; P147-Y159 HydrophobicContact CG-CE2 3.42Å; P147-Y159 VanDerWaalsContact CG-CE2 3.42Å; P147-Y159 HydrophobicContact CG-CG 4.04Å; P147-R174 WeakPolarHBondContact O-CD 3.28Å | ||
| 148 | C | 93.5 | Very high | 91.8 | Very high | 16 Ų | 16 | 66.6 Ų | 66.6 | 11% | 0.108 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -123.4 | 143.2 | -173.2 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | Q146 Q150 L151 C152 C161 | Q146-C148 PolarHBondContact O-N 3.13Å; C148-Q150 VanDerWaalsContact C-N 3.29Å; C148-Q150 PolarHBondContact O-N 3.36Å; C148-L151 WeakPolarHBondContact CB-O 3.32Å; C148-C152 HydrophobicContact CB-CB 4.02Å; C148-C152 VanDerWaalsContact SG-SG 3.68Å; C148-C161 WeakPolarHBondContact CA-SG 3.06Å; C148-C161 HydrophobicContact CB-CB 3.6Å; C148-C161 WeakPolarHBondContact CB-SG 3.19Å; C148-C161 WeakPolarHBondContact SG-CA 3.39Å; C148-C161 WeakPolarHBondContact SG-CB 3.1Å; C148-C161 CovalentContact SG-SG 2.03Å; C148-C161 PolarHBondContact SG-SG 2.92Å |
| 149 | A | 93.1 | Very high | 91.7 | Very high | 66 Ų | 66 | 66.5 Ų | 66.5 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -71.2 | -16.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R174 | A149-R174 WeakPolarHBondContact CB-O 3.35Å; A149-R174 PolarHBondContact N-O 3.4Å |
| 150 | Q | 93.4 | Very high | 91.7 | Very high | 59 Ų | 59 | 70.1 Ų | 70.1 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -141.8 | -69 | -178.8 | -66.6 | -172.8 | 1.4 | 0 | 0 | 113.8 | C148 C176 | C148-Q150 VanDerWaalsContact C-N 3.29Å; C148-Q150 PolarHBondContact O-N 3.36Å; Q150-C176 HydrophobicContact CG-CB 4.06Å |
| 151 | L | 93.6 | Very high | 91.7 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.2 | 179.8 | -67.6 | 157.3 | 0 | 0 | 0 | 109.1 | C148 C161 A162 R164 | C148-L151 WeakPolarHBondContact CB-O 3.32Å; L151-C161 WeakPolarHBondContact O-CA 3.4Å; L151-A162 HydrophobicContact CB-CB 3.95Å; L151-A162 WeakPolarHBondContact CB-O 3.48Å; L151-A162 HydrophobicContact CD1-CB 4.36Å; L151-A162 PolarHBondContact N-O 2.9Å; L151-A162 VanDerWaalsContact N-O 3.07Å; L151-A162 PolarHBondContact O-N 3.33Å; L151-R164 HydrophobicContact CD1-CG 4.07Å |
| 152 | C | 95.4 | Very high | 91.7 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 27% | 0.27 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.8 | 174.3 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | C142 C148 | C142-C152 WeakPolarHBondContact CA-SG 3.03Å; C142-C152 HydrophobicContact CB-CB 3.72Å; C142-C152 WeakPolarHBondContact CB-SG 3.41Å; C142-C152 WeakPolarHBondContact SG-CB 3.21Å; C142-C152 CovalentContact SG-SG 2.04Å; C142-C152 PolarHBondContact SG-SG 3.22Å; C148-C152 HydrophobicContact CB-CB 4.02Å; C148-C152 VanDerWaalsContact SG-SG 3.68Å |
| 153 | M | 94.5 | Very high | 91.8 | Very high | 84 Ų | 84 | 66.4 Ų | 66.4 | 41% | 0.414 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 109.9 | 176.3 | -53.6 | -173.3 | 82.8 | 0 | 0 | 109.1 | C142 Y159 R160 | C142-M153 PolarHBondContact SG-N 3.41Å; M153-Y159 WeakPolarHBondContact O-CA 3.26Å; M153-R160 HydrophobicContact CB-CG 3.9Å; M153-R160 PolarHBondContact N-O 2.86Å; M153-R160 PolarHBondContact O-N 3.19Å; M153-R160 PolarHBondContact SD-NH2 3.29Å |
| 154 | N | 95.4 | Very high | 92 | Very high | 55 Ų | 55 | 71.1 Ų | 71.1 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 151 | 177 | -168.6 | 47.7 | 0 | 0 | 0 | 111.5 | D138 C142 S158 | D138-N154 PolarHBondContact OD2-ND2 2.87Å; C142-N154 PolarHBondContact SG-N 2.75Å; C142-N154 VanDerWaalsContact SG-N 3.4Å; N154-S158 PolarHBondContact OD1-O 3.09Å |
| 155 | T | 94.6 | Very high | 92.6 | Very high | 49 Ų | 49 | 75.6 Ų | 75.6 | 30% | 0.301 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 160 | 178.5 | 49 | 0 | 0 | 0 | 0 | 110.6 | G157 S158 | T155-G157 PolarHBondContact O-N 3.09Å; T155-S158 CarbonylContact C-O 3.56Å; T155-S158 WeakPolarHBondContact CA-O 3.42Å; T155-S158 WeakPolarHBondContact CB-O 3.38Å; T155-S158 PolarHBondContact N-O 2.85Å; T155-S158 PolarHBondContact O-N 2.97Å; T155-S158 VanDerWaalsContact O-N 3.08Å; T155-S158 PolarHBondContact OG1-O 2.98Å |
| 156 | A | 94 | Very high | 93.2 | Very high | 82 Ų | 82 | 67.2 Ų | 67.2 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 105.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W130 D138 | W130-A156 HydrophobicContact CH2-CB 3.91Å; W130-A156 HydrophobicContact CZ2-CB 4.01Å; D138-A156 WeakPolarHBondContact OD1-CA 3.17Å |
| 157 | G | 93.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 19% | 0.186 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 11.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | W130 D138 T155 | W130-G157 VanDerWaalsContact NE1-CA 3.26Å; D138-G157 PolarHBondContact OD1-N 2.79Å; T155-G157 PolarHBondContact O-N 3.09Å |
| 158 | S | 94.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | -179.2 | -179.9 | -163.2 | 0 | 0 | 0 | 0 | 111.9 | E141 N154 T155 | E141-S158 VanDerWaalsContact OE2-C 3.29Å; N154-S158 PolarHBondContact OD1-O 3.09Å; T155-S158 CarbonylContact C-O 3.56Å; T155-S158 WeakPolarHBondContact CA-O 3.42Å; T155-S158 WeakPolarHBondContact CB-O 3.38Å; T155-S158 PolarHBondContact N-O 2.85Å; T155-S158 PolarHBondContact O-N 2.97Å; T155-S158 VanDerWaalsContact O-N 3.08Å; T155-S158 PolarHBondContact OG1-O 2.98Å |
| 159 | Y | 95.1 | Very high | 93.7 | Very high | 47 Ų | 47 | 66 Ų | 66 | 18% | 0.184 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 161.1 | 167.4 | 63.3 | -77.4 | 0 | 0 | 0 | 110.9 | E141 P147 M153 R174 | E141-Y159 HydrophobicContact CB-CD1 3.66Å; E141-Y159 HydrophobicContact CB-CE1 4.19Å; E141-Y159 HydrophobicContact CB-CG 4.23Å; E141-Y159 HydrophobicContact CG-CD1 3.98Å; E141-Y159 HydrophobicContact CG-CE1 4.33Å; E141-Y159 VanDerWaalsContact OE2-CD1 3.29Å; E141-Y159 WeakPolarHBondContact OE2-CD1 3.1Å; P147-Y159 HydrophobicContact CB-CD2 4.31Å; P147-Y159 HydrophobicContact CB-CE1 4.28Å; P147-Y159 HydrophobicContact CB-CE2 3.59Å; P147-Y159 HydrophobicContact CG-CD1 4.26Å; P147-Y159 HydrophobicContact CG-CD2 3.62Å; P147-Y159 HydrophobicContact CG-CE1 4.09Å; P147-Y159 HydrophobicContact CG-CE2 3.42Å; P147-Y159 VanDerWaalsContact CG-CE2 3.42Å; P147-Y159 HydrophobicContact CG-CG 4.04Å; M153-Y159 WeakPolarHBondContact O-CA 3.26Å; Y159-R174 PolarHBondContact OH-NE 2.99Å; Y159-R174 PolarHBondContact OH-NH2 2.99Å |
| 160 | R | 94.3 | Very high | 93.7 | Very high | 128 Ų | 128 | 64 Ų | 64 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.4 | 164.3 | 68.1 | -177.1 | -175.7 | -77.8 | 4.5 | 110.7 | M153 | M153-R160 HydrophobicContact CB-CG 3.9Å; M153-R160 PolarHBondContact N-O 2.86Å; M153-R160 PolarHBondContact O-N 3.19Å; M153-R160 PolarHBondContact SD-NH2 3.29Å |
| 161 | C | 95.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 9% | 0.088 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 144.2 | 171.1 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | C148 L151 L169 G173 | C148-C161 WeakPolarHBondContact CA-SG 3.06Å; C148-C161 HydrophobicContact CB-CB 3.6Å; C148-C161 WeakPolarHBondContact CB-SG 3.19Å; C148-C161 WeakPolarHBondContact SG-CA 3.39Å; C148-C161 WeakPolarHBondContact SG-CB 3.1Å; C148-C161 CovalentContact SG-SG 2.03Å; C148-C161 PolarHBondContact SG-SG 2.92Å; L151-C161 WeakPolarHBondContact O-CA 3.4Å; C161-L169 HydrophobicContact CB-CD1 3.87Å; C161-G173 WeakPolarHBondContact CB-O 3.28Å; C161-G173 PolarHBondContact SG-O 3.15Å |
| 162 | A | 93.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 160.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | L151 | L151-A162 HydrophobicContact CB-CB 3.95Å; L151-A162 WeakPolarHBondContact CB-O 3.48Å; L151-A162 HydrophobicContact CD1-CB 4.36Å; L151-A162 PolarHBondContact N-O 2.9Å; L151-A162 VanDerWaalsContact N-O 3.07Å; L151-A162 PolarHBondContact O-N 3.33Å |
| 163 | C | 95.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 65.5 Ų | 65.5 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | trans | -116.3 | 154.6 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | F167 C176 | C163-F167 HydrophobicContact CB-CB 3.7Å; C163-C176 VanDerWaalsContact CA-SG 3.51Å; C163-C176 HydrophobicContact CB-CB 3.81Å; C163-C176 WeakPolarHBondContact CB-SG 3.35Å; C163-C176 VanDerWaalsContact SG-CA 3.52Å; C163-C176 WeakPolarHBondContact SG-CB 3.29Å; C163-C176 CovalentContact SG-SG 2.04Å; C163-C176 PolarHBondContact SG-SG 2.93Å | ||
| 164 | R | 93.7 | Very high | 93 | Very high | 164 Ų | 164 | 67.5 Ų | 67.5 | 62% | 0.619 | 40% | 0.398 | S | S | * | . | trans | -74.3 | 164.8 | 172.3 | -60.1 | 179.3 | -174.9 | -170.5 | 1.6 | 110.1 | L151 F167 | L151-R164 HydrophobicContact CD1-CG 4.07Å; R164-F167 WeakPolarHBondContact O-CB 3.5Å; R164-F167 PolarHBondContact O-N 2.93Å; R164-F167 VanDerWaalsContact O-N 3.16Å | ||
| 165 | D | 91.6 | Very high | 92.9 | Very high | 162 Ų | 162 | 67.4 Ų | 67.4 | 87% | 0.866 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 142.4 | -178 | -54.6 | -68.6 | 0 | 0 | 0 | 112.6 | F167 | D165-F167 VanDerWaalsContact C-N 3.32Š|
| 166 | G | 89 | Confident | 92.9 | Very high | 49 Ų | 49 | 66.3 Ų | 66.3 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q178 L179 | G166-Q178 WeakPolarHBondContact O-CA 3.22Å; G166-L179 PolarHBondContact O-N 3.28Å |
| 167 | F | 92.6 | Very high | 92.8 | Very high | 66 Ų | 66 | 69.6 Ų | 69.6 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.4 | 176 | -65.1 | -106 | 0 | 0 | 0 | 112.2 | C163 R164 D165 C176 R177 Q178 | C163-F167 HydrophobicContact CB-CB 3.7Å; R164-F167 WeakPolarHBondContact O-CB 3.5Å; R164-F167 PolarHBondContact O-N 2.93Å; R164-F167 VanDerWaalsContact O-N 3.16Å; D165-F167 VanDerWaalsContact C-N 3.32Å; F167-C176 HydrophobicContact CB-CB 4.2Å; F167-C176 HydrophobicContact CD1-CB 4.02Å; F167-C176 HydrophobicContact CG-CB 4.42Å; F167-R177 CarbonylContact C-O 3.5Å; F167-R177 WeakPolarHBondContact CA-O 3.08Å; F167-R177 WeakPolarHBondContact CB-O 3.46Å; F167-Q178 HydrophobicContact CD1-CG 3.76Å; F167-Q178 HydrophobicContact CE1-CG 3.42Å; F167-Q178 VanDerWaalsContact CE1-CG 3.42Å; F167-Q178 HydrophobicContact CE2-CG 4.3Å; F167-Q178 HydrophobicContact CG-CG 4.34Å; F167-Q178 HydrophobicContact CZ-CG 3.72Å |
| 168 | T | 92 | Very high | 92.7 | Very high | 42 Ų | 42 | 75.7 Ų | 75.7 | 26% | 0.258 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 152.1 | 161.6 | 39.8 | 0 | 0 | 0 | 0 | 111 | C176 R177 L179 | T168-C176 WeakPolarHBondContact O-CA 3.42Å; T168-R177 PolarHBondContact N-O 3.06Å; T168-R177 PolarHBondContact O-N 2.83Å; T168-R177 WeakPolarHBondContact OG1-CG 3.27Å; T168-R177 PolarHBondContact OG1-NE 3.4Å; T168-L179 HydrophobicContact CG2-CD1 4.05Å; T168-L179 HydrophobicContact CG2-CD2 3.54Å; T168-L179 HydrophobicContact CG2-CG 3.71Å |
| 169 | L | 93.4 | Very high | 92.1 | Very high | 67 Ų | 67 | 77.6 Ų | 77.6 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 136.2 | 164 | -159.3 | 67.2 | 0 | 0 | 0 | 109.2 | C161 | C161-L169 HydrophobicContact CB-CD1 3.87Å |
| 170 | A | 91.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 80 Ų | 80 | 21% | 0.207 | 44% | 0.44 | C | S | . | . | trans | -79.5 | 170.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | D172 G173 S175 | A170-D172 PolarHBondContact O-N 3.03Å; A170-D172 VanDerWaalsContact O-N 3.07Å; A170-G173 PolarHBondContact O-N 2.8Å; A170-S175 WeakPolarHBondContact CB-O 3.39Å; A170-S175 PolarHBondContact N-O 2.88Å | ||
| 171 | G | 89.4 | Confident | 89.9 | Confident | 90 Ų | 90 | 79.6 Ų | 79.6 | 93% | 0.928 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -6.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | G173 | G171-G173 VanDerWaalsContact C-N 3.31Š|
| 172 | D | 91.1 | Very high | 88.1 | Confident | 83 Ų | 83 | 85 Ų | 85 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -8.7 | 171.7 | 72.3 | -20.2 | 0 | 0 | 0 | 113.2 | A170 R174 S175 | A170-D172 PolarHBondContact O-N 3.03Å; A170-D172 VanDerWaalsContact O-N 3.07Å; D172-R174 PolarHBondContact O-N 3.19Å; D172-R174 PolarHBondContact OD1-N 3.02Å; D172-S175 PolarHBondContact OD1-N 3.23Å; D172-S175 WeakPolarHBondContact OD2-CB 3.22Å; D172-S175 PolarHBondContact OD2-N 2.94Å; D172-S175 VanDerWaalsContact OD2-N 3.13Å; D172-S175 PolarHBondContact OD2-OG 3.18Å |
| 173 | G | 90.1 | Very high | 86.7 | Confident | 32 Ų | 32 | 89 Ų | 89 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 69.8 | 11.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C161 A170 G171 | C161-G173 WeakPolarHBondContact CB-O 3.28Å; C161-G173 PolarHBondContact SG-O 3.15Å; A170-G173 PolarHBondContact O-N 2.8Å; G171-G173 VanDerWaalsContact C-N 3.31Å |
| 174 | R | 92.1 | Very high | 84.5 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -137.4 | -35.8 | -172.6 | -65.2 | -179 | -178.7 | 163.2 | 8.9 | 114.8 | P147 A149 Y159 D172 | P147-R174 WeakPolarHBondContact O-CD 3.28Å; A149-R174 WeakPolarHBondContact CB-O 3.35Å; A149-R174 PolarHBondContact N-O 3.4Å; Y159-R174 PolarHBondContact OH-NE 2.99Å; Y159-R174 PolarHBondContact OH-NH2 2.99Å; D172-R174 PolarHBondContact O-N 3.19Å; D172-R174 PolarHBondContact OD1-N 3.02Å |
| 175 | S | 93.8 | Very high | 82.3 | Confident | 53 Ų | 53 | 91.8 Ų | 91.8 | 37% | 0.371 | 55% | 0.554 | S | S | . | * | trans | -87.8 | 151 | -179 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | A170 D172 | A170-S175 WeakPolarHBondContact CB-O 3.39Å; A170-S175 PolarHBondContact N-O 2.88Å; D172-S175 PolarHBondContact OD1-N 3.23Å; D172-S175 WeakPolarHBondContact OD2-CB 3.22Å; D172-S175 PolarHBondContact OD2-N 2.94Å; D172-S175 VanDerWaalsContact OD2-N 3.13Å; D172-S175 PolarHBondContact OD2-OG 3.18Å | ||
| 176 | C | 94.1 | Very high | 80.3 | Confident | 25 Ų | 25 | 90.5 Ų | 90.5 | 17% | 0.169 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.2 | 179.1 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | Q150 C163 F167 T168 | Q150-C176 HydrophobicContact CG-CB 4.06Å; C163-C176 VanDerWaalsContact CA-SG 3.51Å; C163-C176 HydrophobicContact CB-CB 3.81Å; C163-C176 WeakPolarHBondContact CB-SG 3.35Å; C163-C176 VanDerWaalsContact SG-CA 3.52Å; C163-C176 WeakPolarHBondContact SG-CB 3.29Å; C163-C176 CovalentContact SG-SG 2.04Å; C163-C176 PolarHBondContact SG-SG 2.93Å; F167-C176 HydrophobicContact CB-CB 4.2Å; F167-C176 HydrophobicContact CD1-CB 4.02Å; F167-C176 HydrophobicContact CG-CB 4.42Å; T168-C176 WeakPolarHBondContact O-CA 3.42Å |
| 177 | R | 92.6 | Very high | 77.9 | Confident | 152 Ų | 152 | 93.8 Ų | 93.8 | 57% | 0.574 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 146.5 | 175.8 | 63.7 | 179.9 | 178.4 | -178.8 | -3.7 | 110 | F167 T168 | F167-R177 CarbonylContact C-O 3.5Å; F167-R177 WeakPolarHBondContact CA-O 3.08Å; F167-R177 WeakPolarHBondContact CB-O 3.46Å; T168-R177 PolarHBondContact N-O 3.06Å; T168-R177 PolarHBondContact O-N 2.83Å; T168-R177 WeakPolarHBondContact OG1-CG 3.27Å; T168-R177 PolarHBondContact OG1-NE 3.4Å |
| 178 | Q | 90.9 | Very high | 76 | Confident | 145 Ų | 145 | 96.6 Ų | 96.6 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68 | 149 | 176.1 | -70.3 | -179 | -51.4 | 0 | 0 | 111.6 | G166 F167 | G166-Q178 WeakPolarHBondContact O-CA 3.22Å; F167-Q178 HydrophobicContact CD1-CG 3.76Å; F167-Q178 HydrophobicContact CE1-CG 3.42Å; F167-Q178 VanDerWaalsContact CE1-CG 3.42Å; F167-Q178 HydrophobicContact CE2-CG 4.3Å; F167-Q178 HydrophobicContact CG-CG 4.34Å; F167-Q178 HydrophobicContact CZ-CG 3.72Å |
| 179 | L | 82.6 | Confident | 73.5 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 52% | 0.518 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -81.5 | 129.6 | 178.5 | -94.9 | 165.3 | 0 | 0 | 0 | 112 | G166 T168 | G166-L179 PolarHBondContact O-N 3.28Å; T168-L179 HydrophobicContact CG2-CD1 4.05Å; T168-L179 HydrophobicContact CG2-CD2 3.54Å; T168-L179 HydrophobicContact CG2-CG 3.71Å |
| 180 | P | 75.8 | Confident | 71.6 | Confident | 97 Ų | 97 | 104 Ų | 104 | 63% | 0.63 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -76 | 158.9 | 158.7 | 33.5 | -33.7 | 0 | 0 | 0 | 111 | ||
| 181 | P | 68 | Low | 69.3 | Low | 121 Ų | 121 | 109.8 Ų | 109.8 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 150.6 | 177.9 | 28.1 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 182 | P | 57.8 | Low | 67.4 | Low | 127 Ų | 127 | 114.9 Ų | 114.9 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 142.2 | -164.7 | 35.2 | -36.4 | 0 | 0 | 0 | 116.9 | ||
| 183 | P | 63.5 | Low | 65.1 | Low | 116 Ų | 116 | 114.7 Ų | 114.7 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | trans | -115.5 | 167.5 | 163 | 38.3 | -28.8 | 0 | 0 | 0 | 114.4 | ||||
| 184 | P | 49.2 | Very low | 63.1 | Low | 134 Ų | 134 | 119.4 Ų | 119.4 | 87% | 0.87 | 72% | 0.723 | S | S | * | * | trans | -95.1 | 168.7 | -169.2 | 36.8 | -37.4 | 0 | 0 | 0 | 117.6 | ||||
| 185 | S | 46.9 | Very low | 60.8 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -159.9 | 160.7 | -171.8 | 59.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 186 | P | 49.9 | Very low | 58.6 | Low | 135 Ų | 135 | 128.1 Ų | 128.1 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -137.6 | -175.2 | 163.2 | 37.3 | -19.1 | 0 | 0 | 0 | 116.8 | ||||
| 187 | S | 38.2 | Very low | 56.4 | Low | 118 Ų | 118 | 131.8 Ų | 131.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -145.1 | 172.6 | -158.2 | 57.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 188 | P | 54.3 | Low | 54 | Low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -125.9 | -169.9 | -172.4 | 43.4 | -28.8 | 0 | 0 | 0 | 119.3 | ||||
| 189 | T | 39.5 | Very low | 51.6 | Low | 143 Ų | 143 | 128.8 Ų | 128.8 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -146.2 | 160.4 | -161.5 | -20.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 190 | P | 52.9 | Low | 49.8 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 84% | 0.838 | S | S | * | * | trans | -132.7 | -169.3 | -179 | 42.4 | -25.5 | 0 | 0 | 0 | 120 | ||||
| 191 | T | 42.8 | Very low | 48.1 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 90% | 0.902 | 85% | 0.853 | S | S | * | * | trans | -139.9 | -163.6 | -162.1 | -12.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 192 | Q | 49.6 | Very low | 46.9 | Very low | 197 Ų | 197 | 130.8 Ų | 130.8 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | trans | -106.8 | 176.9 | -152.7 | -61 | 174.2 | -19.3 | 0 | 0 | 121.8 | ||||
| 193 | G | 42.2 | Very low | 46 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | 173.9 | 158.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 194 | S | 49.6 | Very low | 44.9 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 92% | 0.923 | 85% | 0.85 | S | S | * | * | trans | -163.3 | 176.5 | -178.4 | 64 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 195 | R | 41.8 | Very low | 44.3 | Very low | 259 Ų | 259 | 129.1 Ų | 129.1 | 98% | 0.977 | 85% | 0.852 | S | S | * | * | trans | -164 | -178.1 | -178 | -119.1 | 176.7 | -179.3 | -176.9 | -0.3 | 119.4 | ||||
| 196 | A | 48.3 | Very low | 43.9 | Very low | 104 Ų | 104 | 128 Ų | 128 | 86% | 0.86 | 86% | 0.858 | S | S | * | * | trans | -158.5 | -178.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 197 | A | 47.4 | Very low | 43.2 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | trans | 113.5 | 165.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 198 | V | 43.5 | Very low | 42.8 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 95% | 0.945 | 86% | 0.864 | S | S | * | * | trans | 129.7 | 156.9 | 151.2 | 175.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 199 | G | 40.9 | Very low | 42.2 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | trans | -175.5 | 176.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 200 | G | 43.6 | Very low | 42.1 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 86% | 0.858 | S | S | * | * | cis | -179.4 | 172.3 | -2.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 201 | H | 41 | Very low | 41.5 | Very low | 203 Ų | 203 | 128 Ų | 128 | 94% | 0.94 | 86% | 0.859 | S | S | * | * | trans | -165 | -177.8 | -177.2 | -121.2 | -97.2 | 0 | 0 | 0 | 114.6 | ||||
| 202 | A | 41.6 | Very low | 41.6 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 66% | 0.661 | 86% | 0.859 | S | S | * | * | cis | -160.8 | -159.2 | 0.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 203 | D | 38.9 | Very low | 41.4 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 84% | 0.84 | 85% | 0.852 | S | S | * | * | cis | -172.2 | -169.6 | -6.7 | -128 | -48.4 | 0 | 0 | 0 | 110.1 | ||||
| 204 | A | 41.1 | Very low | 41.7 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | cis | -172.3 | 169 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 205 | G | 37 | Very low | 41.9 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 92% | 0.918 | 83% | 0.829 | S | S | * | * | trans | 136.3 | 167.5 | 164 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 206 | G | 37 | Very low | 42.8 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | cis | 171.3 | 156.6 | -14.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 207 | G | 35.4 | Very low | 43.2 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 167 | 167.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 208 | L | 31.5 | Very low | 43.3 | Very low | 187 Ų | 187 | 123.5 Ų | 123.5 | 98% | 0.979 | 80% | 0.795 | S | S | * | * | trans | -170.6 | -179.6 | 177.4 | -116.7 | 174.1 | 0 | 0 | 0 | 120.1 | ||||
| 209 | G | 41.3 | Very low | 44.1 | Very low | 61 Ų | 61 | 122.3 Ų | 122.3 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | -171.5 | 179.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 210 | L | 37.1 | Very low | 45.1 | Very low | 180 Ų | 180 | 120.2 Ų | 120.2 | 94% | 0.942 | 75% | 0.752 | S | S | * | * | trans | -157.9 | -168.3 | -179.3 | -141.2 | 78 | 0 | 0 | 0 | 120.2 | ||||
| 211 | V | 39.3 | Very low | 45.6 | Very low | 135 Ų | 135 | 119.3 Ų | 119.3 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -142.5 | 177 | -150.4 | -175.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 212 | E | 46.6 | Very low | 46.6 | Very low | 191 Ų | 191 | 117.2 Ų | 117.2 | 89% | 0.893 | 71% | 0.713 | S | S | * | * | trans | -88 | -178.8 | -169.9 | -55.6 | 179 | 112.8 | 0 | 0 | 119.5 | ||||
| 213 | N | 43.6 | Very low | 48 | Very low | 146 Ų | 146 | 117.1 Ų | 117.1 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | trans | -168.7 | 139.6 | -174.8 | 160.4 | 108 | 0 | 0 | 0 | 109.8 | ||||
| 214 | V | 48.6 | Very low | 49.7 | Very low | 58 Ų | 58 | 115.6 Ų | 115.6 | 35% | 0.352 | 68% | 0.684 | S | S | . | * | cis | -172.7 | 151.8 | -2.5 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | E216 E217 | V214-E216 HydrophobicContact CG2-CB 3.68Å; V214-E216 HydrophobicContact CG2-CG 3.81Å; V214-E217 HydrophobicContact CG1-CG 4.19Å; V214-E217 HydrophobicContact CG2-CG 4.45Å | ||
| 215 | T | 54.8 | Low | 51.1 | Low | 146 Ų | 146 | 112 Ų | 112 | 90% | 0.896 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -126.1 | 4.1 | 155.4 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | E217 | T215-E217 VanDerWaalsContact C-N 3.31Å; T215-E217 PolarHBondContact O-N 2.82Å |
| 216 | E | 59.7 | Low | 52.7 | Low | 131 Ų | 131 | 112 Ų | 112 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | trans | -73.9 | -17.1 | -167.9 | -52.4 | -179.9 | 133.5 | 0 | 0 | 113.5 | V214 V218 Q219 S220 | V214-E216 HydrophobicContact CG2-CB 3.68Å; V214-E216 HydrophobicContact CG2-CG 3.81Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.2Å; E216-Q219 CarbonylContact O-C 3.55Å; E216-Q219 PolarHBondContact O-N 2.88Å; E216-S220 WeakPolarHBondContact O-CB 3.49Å; E216-S220 PolarHBondContact O-N 2.7Å | ||
| 217 | E | 56.8 | Low | 54.4 | Low | 132 Ų | 132 | 112.6 Ų | 112.6 | 62% | 0.617 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -47.4 | -41.3 | -157 | -65.8 | -163.5 | 149.2 | 0 | 0 | 116.7 | V214 T215 S220 L221 | V214-E217 HydrophobicContact CG1-CG 4.19Å; V214-E217 HydrophobicContact CG2-CG 4.45Å; T215-E217 VanDerWaalsContact C-N 3.31Å; T215-E217 PolarHBondContact O-N 2.82Å; E217-S220 CarbonylContact O-C 3.58Å; E217-S220 WeakPolarHBondContact O-CB 3.43Å; E217-L221 WeakPolarHBondContact O-CB 3.29Å; E217-L221 VanDerWaalsContact O-CG 3.28Å; E217-L221 WeakPolarHBondContact O-CG 3.19Å; E217-L221 PolarHBondContact O-N 2.88Å |
| 218 | V | 51 | Low | 56 | Low | 120 Ų | 120 | 109.9 Ų | 109.9 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.4 | -43 | -179.2 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | E216 S220 L221 R222 | E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.2Å; V218-S220 PolarHBondContact O-N 3.01Å; V218-L221 PolarHBondContact O-N 2.76Å; V218-R222 PolarHBondContact O-N 2.92Å |
| 219 | Q | 59.5 | Low | 57.8 | Low | 130 Ų | 130 | 103.9 Ų | 103.9 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 171.2 | -161.8 | 74.3 | 9.2 | 0 | 0 | 109.9 | E216 R222 N223 | E216-Q219 CarbonylContact O-C 3.55Å; E216-Q219 PolarHBondContact O-N 2.88Å; Q219-R222 PolarHBondContact O-N 2.91Å; Q219-N223 VanDerWaalsContact O-CB 3.22Å; Q219-N223 WeakPolarHBondContact O-CB 3.5Å; Q219-N223 PolarHBondContact O-N 2.99Å; Q219-N223 PolarHBondContact O-ND2 2.89Å; Q219-N223 PolarHBondContact O-OD1 3.41Å |
| 220 | S | 62.6 | Low | 59.1 | Low | 35 Ų | 35 | 107 Ų | 107 | 25% | 0.245 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 173.7 | -179 | 0 | 0 | 0 | 0 | 111.3 | E216 E217 V218 N223 R224 | E216-S220 WeakPolarHBondContact O-CB 3.49Å; E216-S220 PolarHBondContact O-N 2.7Å; E217-S220 CarbonylContact O-C 3.58Å; E217-S220 WeakPolarHBondContact O-CB 3.43Å; V218-S220 PolarHBondContact O-N 3.01Å; S220-N223 CarbonylContact O-C 3.52Å; S220-N223 PolarHBondContact O-N 2.98Å; S220-R224 WeakPolarHBondContact O-CA 3.47Å; S220-R224 WeakPolarHBondContact O-CB 3.3Å; S220-R224 VanDerWaalsContact O-CD 3.24Å; S220-R224 WeakPolarHBondContact O-CD 3.5Å; S220-R224 WeakPolarHBondContact O-CG 3.34Å; S220-R224 PolarHBondContact O-N 3.38Å; S220-R224 WeakPolarHBondContact OG-CD 3.13Å |
| 221 | L | 53.8 | Low | 60.7 | Low | 57 Ų | 57 | 103 Ų | 103 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.4 | -81.1 | 166 | 0 | 0 | 0 | 112.3 | E217 V218 R224 V225 L278 | E217-L221 WeakPolarHBondContact O-CB 3.29Å; E217-L221 VanDerWaalsContact O-CG 3.28Å; E217-L221 WeakPolarHBondContact O-CG 3.19Å; E217-L221 PolarHBondContact O-N 2.88Å; V218-L221 PolarHBondContact O-N 2.76Å; L221-R224 WeakPolarHBondContact O-CB 3.49Å; L221-R224 PolarHBondContact O-N 3.27Å; L221-V225 PolarHBondContact O-N 2.77Å; L221-V225 VanDerWaalsContact O-N 3.09Å; L221-L278 HydrophobicContact CD2-CD2 3.94Å |
| 222 | R | 62.5 | Low | 61.9 | Low | 159 Ų | 159 | 96.8 Ų | 96.8 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.8 | -51.3 | 173 | -178 | 178.4 | 179.3 | 144.6 | 6.4 | 111.8 | V218 Q219 R224 V225 E226 | V218-R222 PolarHBondContact O-N 2.92Å; Q219-R222 PolarHBondContact O-N 2.91Å; R222-R224 PolarHBondContact O-N 3.01Å; R222-R224 VanDerWaalsContact O-N 3.12Å; R222-V225 PolarHBondContact O-N 3.1Å; R222-E226 IonicContact CZ-OE1 3.03Å; R222-E226 IonicContact NE-OE1 3.86Å; R222-E226 PolarHBondContact NE-OE1 2.68Å; R222-E226 IonicContact NH2-OE1 2.7Å; R222-E226 PolarHBondContact O-N 3.25Å; R222-E226 VanDerWaalsContact O-N 3.07Å |
| 223 | N | 70 | Confident | 62.8 | Low | 77 Ų | 77 | 94.1 Ų | 94.1 | 41% | 0.412 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.7 | -25.9 | 174.4 | -66 | -3.9 | 0 | 0 | 0 | 111.4 | Q219 S220 L227 | Q219-N223 VanDerWaalsContact O-CB 3.22Å; Q219-N223 WeakPolarHBondContact O-CB 3.5Å; Q219-N223 PolarHBondContact O-N 2.99Å; Q219-N223 PolarHBondContact O-ND2 2.89Å; Q219-N223 PolarHBondContact O-OD1 3.41Å; S220-N223 CarbonylContact O-C 3.52Å; S220-N223 PolarHBondContact O-N 2.98Å; N223-L227 WeakPolarHBondContact O-CA 3.35Å; N223-L227 WeakPolarHBondContact O-CB 3.34Å; N223-L227 PolarHBondContact O-N 2.88Å |
| 224 | R | 75.3 | Confident | 63.7 | Low | 126 Ų | 126 | 92.4 Ų | 92.4 | 48% | 0.475 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -77.9 | -32.3 | 174.8 | -81.5 | 160.6 | 63.9 | 174.9 | 2.8 | 112.2 | S220 L221 R222 L228 | S220-R224 WeakPolarHBondContact O-CA 3.47Å; S220-R224 WeakPolarHBondContact O-CB 3.3Å; S220-R224 VanDerWaalsContact O-CD 3.24Å; S220-R224 WeakPolarHBondContact O-CD 3.5Å; S220-R224 WeakPolarHBondContact O-CG 3.34Å; S220-R224 PolarHBondContact O-N 3.38Å; S220-R224 WeakPolarHBondContact OG-CD 3.13Å; L221-R224 WeakPolarHBondContact O-CB 3.49Å; L221-R224 PolarHBondContact O-N 3.27Å; R222-R224 PolarHBondContact O-N 3.01Å; R222-R224 VanDerWaalsContact O-N 3.12Å; R224-L228 WeakPolarHBondContact O-CB 3.4Å; R224-L228 VanDerWaalsContact O-CD1 3.31Å; R224-L228 WeakPolarHBondContact O-CD1 3.23Å; R224-L228 WeakPolarHBondContact O-CG 3.3Å; R224-L228 PolarHBondContact O-N 2.87Å |
| 225 | V | 69.7 | Low | 64.3 | Low | 20 Ų | 20 | 90.1 Ų | 90.1 | 12% | 0.121 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.3 | -55.8 | 167.2 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | L221 R222 L227 L228 E229 L278 | L221-V225 PolarHBondContact O-N 2.77Å; L221-V225 VanDerWaalsContact O-N 3.09Å; R222-V225 PolarHBondContact O-N 3.1Å; V225-L227 VanDerWaalsContact C-N 3.25Å; V225-L227 PolarHBondContact O-N 3.33Å; V225-L228 PolarHBondContact O-N 2.96Å; V225-E229 WeakPolarHBondContact O-CG 3.22Å; V225-E229 PolarHBondContact O-N 2.86Å; V225-L278 HydrophobicContact CG2-CB 3.74Å; V225-L278 HydrophobicContact CG2-CD1 3.75Å; V225-L278 HydrophobicContact CG2-CG 4.34Å |
| 226 | E | 71.6 | Confident | 64.2 | Low | 91 Ų | 91 | 83.9 Ų | 83.9 | 43% | 0.425 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.1 | -34 | -179.3 | -62.4 | 174.9 | -158.5 | 0 | 0 | 111.9 | R222 K230 | R222-E226 IonicContact CZ-OE1 3.03Å; R222-E226 IonicContact NE-OE1 3.86Å; R222-E226 PolarHBondContact NE-OE1 2.68Å; R222-E226 IonicContact NH2-OE1 2.7Å; R222-E226 PolarHBondContact O-N 3.25Å; R222-E226 VanDerWaalsContact O-N 3.07Å; E226-K230 WeakPolarHBondContact O-CB 3.37Å; E226-K230 PolarHBondContact O-N 2.94Å |
| 227 | L | 71.4 | Confident | 63.7 | Low | 102 Ų | 102 | 79.3 Ų | 79.3 | 53% | 0.534 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -77.3 | -32.5 | 173.1 | 179.5 | 64.5 | 0 | 0 | 0 | 113.1 | N223 V225 K231 | N223-L227 WeakPolarHBondContact O-CA 3.35Å; N223-L227 WeakPolarHBondContact O-CB 3.34Å; N223-L227 PolarHBondContact O-N 2.88Å; V225-L227 VanDerWaalsContact C-N 3.25Å; V225-L227 PolarHBondContact O-N 3.33Å; L227-K231 WeakPolarHBondContact O-CA 3.49Å; L227-K231 WeakPolarHBondContact O-CB 3.45Å; L227-K231 PolarHBondContact O-N 2.89Å |
| 228 | L | 69.9 | Low | 63.1 | Low | 23 Ų | 23 | 75.8 Ų | 75.8 | 12% | 0.12 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.3 | -37.7 | 174.4 | -76.1 | 165.6 | 0 | 0 | 0 | 110.4 | R224 V225 K231 L232 L271 I275 L278 | R224-L228 WeakPolarHBondContact O-CB 3.4Å; R224-L228 VanDerWaalsContact O-CD1 3.31Å; R224-L228 WeakPolarHBondContact O-CD1 3.23Å; R224-L228 WeakPolarHBondContact O-CG 3.3Å; R224-L228 PolarHBondContact O-N 2.87Å; V225-L228 PolarHBondContact O-N 2.96Å; L228-K231 HydrophobicContact CD2-CD 4.4Å; L228-K231 PolarHBondContact O-N 2.77Å; L228-L232 VanDerWaalsContact O-CB 3.27Å; L228-L232 WeakPolarHBondContact O-CB 3.11Å; L228-L232 PolarHBondContact O-N 3.09Å; L228-L271 HydrophobicContact CD2-CD2 3.52Å; L228-I275 HydrophobicContact CB-CD1 4.47Å; L228-I275 HydrophobicContact CB-CG1 4.16Å; L228-L278 HydrophobicContact CD1-CD1 4.01Å |
| 229 | E | 69.7 | Low | 62.8 | Low | 61 Ų | 61 | 77.8 Ų | 77.8 | 29% | 0.285 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 169.1 | -68 | 178.3 | 130.1 | 0 | 0 | 111.3 | V225 K231 L232 Q233 I275 | V225-E229 WeakPolarHBondContact O-CG 3.22Å; V225-E229 PolarHBondContact O-N 2.86Å; E229-K231 VanDerWaalsContact C-N 3.29Å; E229-K231 PolarHBondContact O-N 3.27Å; E229-L232 WeakPolarHBondContact O-CB 3.26Å; E229-L232 PolarHBondContact O-N 3.21Å; E229-Q233 WeakPolarHBondContact O-CG 3.25Å; E229-Q233 PolarHBondContact O-N 2.93Å; E229-I275 HydrophobicContact CG-CD1 4.04Å |
| 230 | K | 68.6 | Low | 62 | Low | 128 Ų | 128 | 73.7 Ų | 73.7 | 56% | 0.557 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.9 | -32.4 | 175.6 | -168.1 | 172.4 | -173.7 | 173.8 | 0 | 112.5 | E226 Q233 L234 | E226-K230 WeakPolarHBondContact O-CB 3.37Å; E226-K230 PolarHBondContact O-N 2.94Å; K230-Q233 PolarHBondContact O-N 3.01Å; K230-L234 HydrophobicContact CG-CD1 4.45Å; K230-L234 WeakPolarHBondContact O-CB 3.48Å; K230-L234 VanDerWaalsContact O-CG 3.24Å; K230-L234 WeakPolarHBondContact O-CG 3.49Å; K230-L234 PolarHBondContact O-N 3.3Å |
| 231 | K | 69.7 | Low | 60.9 | Low | 95 Ų | 95 | 76.5 Ų | 76.5 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.9 | -35.5 | 174.5 | -177.9 | 179.5 | -177.6 | -178.3 | 0 | 111.5 | L227 L228 E229 L234 V235 | L227-K231 WeakPolarHBondContact O-CA 3.49Å; L227-K231 WeakPolarHBondContact O-CB 3.45Å; L227-K231 PolarHBondContact O-N 2.89Å; L228-K231 HydrophobicContact CD2-CD 4.4Å; L228-K231 PolarHBondContact O-N 2.77Å; E229-K231 VanDerWaalsContact C-N 3.29Å; E229-K231 PolarHBondContact O-N 3.27Å; K231-L234 CarbonylContact O-C 3.57Å; K231-L234 PolarHBondContact O-N 3.14Å; K231-V235 WeakPolarHBondContact O-CB 3.24Å; K231-V235 VanDerWaalsContact O-CG2 3.24Å; K231-V235 WeakPolarHBondContact O-CG2 3.43Å; K231-V235 PolarHBondContact O-N 3.09Å |
| 232 | L | 65 | Low | 60.2 | Low | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -51.4 | 168.7 | -178.4 | 62.1 | 0 | 0 | 0 | 109 | Y71 L228 E229 L234 V235 L236 I268 L271 I275 | Y71-L232 HydrophobicContact CD1-CD2 4.36Å; Y71-L232 HydrophobicContact CD2-CD2 3.69Å; Y71-L232 HydrophobicContact CE2-CD2 4.24Å; Y71-L232 HydrophobicContact CG-CD2 3.77Å; L228-L232 VanDerWaalsContact O-CB 3.27Å; L228-L232 WeakPolarHBondContact O-CB 3.11Å; L228-L232 PolarHBondContact O-N 3.09Å; E229-L232 WeakPolarHBondContact O-CB 3.26Å; E229-L232 PolarHBondContact O-N 3.21Å; L232-L234 PolarHBondContact O-N 3.48Å; L232-V235 PolarHBondContact O-N 2.85Å; L232-V235 VanDerWaalsContact O-N 3.09Å; L232-L236 HydrophobicContact CD1-CD1 3.91Å; L232-L236 HydrophobicContact CG-CD1 3.8Å; L232-L236 WeakPolarHBondContact O-CB 3.25Å; L232-L236 VanDerWaalsContact O-CD1 3.25Å; L232-L236 WeakPolarHBondContact O-CD1 3.45Å; L232-L236 VanDerWaalsContact O-CG 3.22Å; L232-L236 WeakPolarHBondContact O-CG 3.47Å; L232-L236 PolarHBondContact O-N 2.83Å; L232-I268 HydrophobicContact CD1-CB 4.3Å; L232-I268 HydrophobicContact CD1-CG1 3.89Å; L232-I268 HydrophobicContact CD1-CG2 4.3Å; L232-L271 HydrophobicContact CB-CD1 4.18Å; L232-L271 HydrophobicContact CD1-CB 4.3Å; L232-L271 HydrophobicContact CD1-CD1 3.89Å; L232-I275 HydrophobicContact CD2-CD1 4.36Å |
| 233 | Q | 65 | Low | 59 | Low | 135 Ų | 135 | 81.9 Ų | 81.9 | 63% | 0.631 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -57.3 | -30.2 | 173.1 | -69.5 | 174.5 | 9.6 | 0 | 0 | 113.8 | E229 K230 L236 A237 | E229-Q233 WeakPolarHBondContact O-CG 3.25Å; E229-Q233 PolarHBondContact O-N 2.93Å; K230-Q233 PolarHBondContact O-N 3.01Å; Q233-L236 CarbonylContact O-C 3.59Å; Q233-A237 PolarHBondContact O-N 3.37Å |
| 234 | L | 62.8 | Low | 57.4 | Low | 110 Ų | 110 | 82.7 Ų | 82.7 | 58% | 0.576 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -84.8 | -25.2 | 175.4 | -73.8 | 167.4 | 0 | 0 | 0 | 114.1 | K230 K231 L232 L236 A237 | K230-L234 HydrophobicContact CG-CD1 4.45Å; K230-L234 WeakPolarHBondContact O-CB 3.48Å; K230-L234 VanDerWaalsContact O-CG 3.24Å; K230-L234 WeakPolarHBondContact O-CG 3.49Å; K230-L234 PolarHBondContact O-N 3.3Å; K231-L234 CarbonylContact O-C 3.57Å; K231-L234 PolarHBondContact O-N 3.14Å; L232-L234 PolarHBondContact O-N 3.48Å; L234-L236 VanDerWaalsContact C-N 3.27Å; L234-A237 HydrophobicContact CD2-CB 4.48Å; L234-A237 WeakPolarHBondContact O-CB 3.34Å; L234-A237 PolarHBondContact O-N 2.9Å |
| 235 | V | 60.7 | Low | 55.4 | Low | 10 Ų | 10 | 84.1 Ų | 84.1 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -73.6 | -25.1 | 168.6 | 166 | 0 | 0 | 0 | 0 | 111.3 | K231 L232 Q264 R267 | K231-V235 WeakPolarHBondContact O-CB 3.24Å; K231-V235 VanDerWaalsContact O-CG2 3.24Å; K231-V235 WeakPolarHBondContact O-CG2 3.43Å; K231-V235 PolarHBondContact O-N 3.09Å; L232-V235 PolarHBondContact O-N 2.85Å; L232-V235 VanDerWaalsContact O-N 3.09Å; V235-Q264 PolarHBondContact O-NE2 3.25Å; V235-R267 HydrophobicContact CG1-CG 4.37Å; V235-R267 VanDerWaalsContact CG2-CZ 3.4Å |
| 236 | L | 53 | Low | 53.8 | Low | 15 Ų | 15 | 88.4 Ų | 88.4 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -97.9 | -5.7 | 174.2 | -63.7 | 159.7 | 0 | 0 | 0 | 112.9 | A47 L73 L232 Q233 L234 I268 | A47-L236 HydrophobicContact CB-CD1 3.25Å; L73-L236 HydrophobicContact CD1-CD2 3.78Å; L232-L236 HydrophobicContact CD1-CD1 3.91Å; L232-L236 HydrophobicContact CG-CD1 3.8Å; L232-L236 WeakPolarHBondContact O-CB 3.25Å; L232-L236 VanDerWaalsContact O-CD1 3.25Å; L232-L236 WeakPolarHBondContact O-CD1 3.45Å; L232-L236 VanDerWaalsContact O-CG 3.22Å; L232-L236 WeakPolarHBondContact O-CG 3.47Å; L232-L236 PolarHBondContact O-N 2.83Å; Q233-L236 CarbonylContact O-C 3.59Å; L234-L236 VanDerWaalsContact C-N 3.27Å; L236-I268 HydrophobicContact CD2-CD1 3.77Å; L236-I268 HydrophobicContact CD2-CG1 4.29Å |
| 237 | A | 49.3 | Very low | 52.4 | Low | 36 Ų | 36 | 93 Ų | 93 | 30% | 0.298 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -61.1 | 134.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q233 L234 F239 | Q233-A237 PolarHBondContact O-N 3.37Å; L234-A237 HydrophobicContact CD2-CB 4.48Å; L234-A237 WeakPolarHBondContact O-CB 3.34Å; L234-A237 PolarHBondContact O-N 2.9Å; A237-F239 PolarHBondContact O-N 2.89Å |
| 238 | P | 45.1 | Very low | 50.7 | Low | 57 Ų | 57 | 95.3 Ų | 95.3 | 37% | 0.37 | 50% | 0.498 | S | S | . | . | trans | -67.9 | 96.8 | -169.9 | 24.4 | -33.2 | 0 | 0 | 0 | 110.5 | E44 S240 | E44-P238 HydrophobicContact CG-CB 4.36Å; P238-S240 PolarHBondContact O-N 3.38Å; P238-S240 PolarHBondContact O-OG 3.46Å | ||
| 239 | F | 43.2 | Very low | 49.6 | Very low | 162 Ų | 162 | 100.2 Ų | 100.2 | 71% | 0.711 | 52% | 0.524 | S | S | * | . | trans | -58.8 | 80.8 | 147.4 | -68.9 | -79.4 | 0 | 0 | 0 | 106.8 | A237 S241 | A237-F239 PolarHBondContact O-N 2.89Å; F239-S241 PolarHBondContact O-N 3.35Å | ||
| 240 | S | 42.8 | Very low | 48 | Very low | 45 Ų | 45 | 101 Ų | 101 | 32% | 0.315 | 54% | 0.537 | S | S | . | . | trans | -64 | 109.4 | -179.9 | 11.7 | 0 | 0 | 0 | 0 | 106.4 | P238 F242 | P238-S240 PolarHBondContact O-N 3.38Å; P238-S240 PolarHBondContact O-OG 3.46Å; S240-F242 WeakPolarHBondContact O-CD2 3.49Å; S240-F242 PolarHBondContact O-N 2.92Å; S240-F242 VanDerWaalsContact OG-CE2 3.27Å; S240-F242 WeakPolarHBondContact OG-CE2 3.37Å | ||
| 241 | S | 40.8 | Very low | 47 | Very low | 93 Ų | 93 | 101.4 Ų | 101.4 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | trans | -63.9 | 86.8 | 164.8 | 51.9 | 0 | 0 | 0 | 0 | 107.3 | F239 F243 | F239-S241 PolarHBondContact O-N 3.35Å; S241-F243 PolarHBondContact O-N 2.74Å | ||
| 242 | F | 38.3 | Very low | 45.6 | Very low | 161 Ų | 161 | 100.6 Ų | 100.6 | 71% | 0.706 | 54% | 0.543 | S | S | * | . | trans | -70.7 | 59.8 | 179 | -77.2 | -73.6 | 0 | 0 | 0 | 110.9 | S240 | S240-F242 WeakPolarHBondContact O-CD2 3.49Å; S240-F242 PolarHBondContact O-N 2.92Å; S240-F242 VanDerWaalsContact OG-CE2 3.27Å; S240-F242 WeakPolarHBondContact OG-CE2 3.37Å | ||
| 243 | F | 36.8 | Very low | 44.6 | Very low | 168 Ų | 168 | 106.7 Ų | 106.7 | 74% | 0.737 | 57% | 0.572 | S | S | * | * | trans | -135.9 | 95.7 | 180 | -69 | -70.2 | 0 | 0 | 0 | 109.1 | S241 L245 | S241-F243 PolarHBondContact O-N 2.74Å; F243-L245 PolarHBondContact O-N 2.85Å | ||
| 244 | P | 36.2 | Very low | 43.5 | Very low | 95 Ų | 95 | 105 Ų | 105 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | trans | -64.3 | 114.1 | 162 | 27.9 | -31.5 | 0 | 0 | 0 | 107.6 | P246 | P244-P246 WeakPolarHBondContact O-CD 3.27Š| ||
| 245 | L | 34.6 | Very low | 42.8 | Very low | 156 Ų | 156 | 104.1 Ų | 104.1 | 82% | 0.817 | 56% | 0.561 | S | S | * | * | trans | -55.6 | 117.5 | -176.2 | -72.3 | 166.6 | 0 | 0 | 0 | 111.5 | F243 | F243-L245 PolarHBondContact O-N 2.85Š| ||
| 246 | P | 35.4 | Very low | 42.2 | Very low | 109 Ų | 109 | 107.7 Ų | 107.7 | 71% | 0.708 | 58% | 0.583 | S | S | * | * | trans | -69.1 | 142.3 | 155.5 | -7.5 | 26.1 | 0 | 0 | 0 | 108.3 | P244 D248 | P244-P246 WeakPolarHBondContact O-CD 3.27Å; P246-D248 VanDerWaalsContact C-N 3.35Å; P246-D248 PolarHBondContact O-N 3.5Å; P246-D248 VanDerWaalsContact O-N 3.12Å | ||
| 247 | L | 41.3 | Very low | 42.1 | Very low | 187 Ų | 187 | 111.8 Ų | 111.8 | 98% | 0.979 | 61% | 0.605 | S | S | * | * | trans | -78.5 | 86.8 | 165 | -78.7 | 163 | 0 | 0 | 0 | 108.8 | ||||
| 248 | D | 37 | Very low | 42.2 | Very low | 151 Ų | 151 | 114.9 Ų | 114.9 | 81% | 0.807 | 62% | 0.616 | S | S | * | * | trans | -146.2 | 152.9 | 160.7 | -146.7 | -15.3 | 0 | 0 | 0 | 111.6 | P246 S250 | P246-D248 VanDerWaalsContact C-N 3.35Å; P246-D248 PolarHBondContact O-N 3.5Å; P246-D248 VanDerWaalsContact O-N 3.12Å; D248-S250 PolarHBondContact O-N 3.23Å | ||
| 249 | D | 45.2 | Very low | 42.6 | Very low | 126 Ų | 126 | 114.8 Ų | 114.8 | 67% | 0.674 | 62% | 0.616 | S | S | * | * | trans | -94.2 | 96.8 | -157.7 | -159.4 | 11.8 | 0 | 0 | 0 | 113.2 | F251 | D249-F251 WeakPolarHBondContact OD1-CE2 3.42Š| ||
| 250 | S | 37.7 | Very low | 43.2 | Very low | 79 Ų | 79 | 111.6 Ų | 111.6 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | trans | -139.8 | 132.3 | 176 | -165.1 | 0 | 0 | 0 | 0 | 111.5 | D248 P252 | D248-S250 PolarHBondContact O-N 3.23Å; S250-P252 WeakPolarHBondContact OG-CD 3.36Å | ||
| 251 | F | 47.1 | Very low | 43.9 | Very low | 136 Ų | 136 | 111.4 Ų | 111.4 | 60% | 0.596 | 60% | 0.602 | S | S | * | * | trans | -98.8 | -1.3 | -172.7 | -86.1 | -98.4 | 0 | 0 | 0 | 119 | D249 K254 | D249-F251 WeakPolarHBondContact OD1-CE2 3.42Å; F251-K254 HydrophobicContact CD1-CD 3.86Å; F251-K254 HydrophobicContact CE1-CD 3.98Å | ||
| 252 | P | 39.6 | Very low | 44.7 | Very low | 78 Ų | 78 | 113 Ų | 113 | 51% | 0.506 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -76.6 | -23.8 | -177 | 32.8 | -34.3 | 0 | 0 | 0 | 113.9 | S250 T255 | S250-P252 WeakPolarHBondContact OG-CD 3.36Å; P252-T255 PolarHBondContact O-OG1 3.34Å |
| 253 | E | 44.1 | Very low | 45.9 | Very low | 132 Ų | 132 | 114 Ų | 114 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -81.1 | -25.5 | -175.6 | -60.1 | -171.6 | 157.6 | 0 | 0 | 113.2 | T255 T256 L257 | E253-T255 VanDerWaalsContact C-N 3.3Å; E253-T255 PolarHBondContact O-N 3.27Å; E253-T256 PolarHBondContact O-N 3.39Å; E253-T256 PolarHBondContact O-OG1 2.91Å; E253-L257 WeakPolarHBondContact O-CB 3.24Å; E253-L257 WeakPolarHBondContact O-CG 3.47Å; E253-L257 PolarHBondContact O-N 3.26Å |
| 254 | K | 42.9 | Very low | 47.1 | Very low | 98 Ų | 98 | 107.4 Ų | 107.4 | 43% | 0.426 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.3 | -33.7 | 178.5 | -66.4 | 166.6 | -173.4 | 159.5 | 0 | 111.3 | F251 L258 | F251-K254 HydrophobicContact CD1-CD 3.86Å; F251-K254 HydrophobicContact CE1-CD 3.98Å; K254-L258 WeakPolarHBondContact O-CB 3.11Å; K254-L258 VanDerWaalsContact O-CG 3.26Å; K254-L258 WeakPolarHBondContact O-CG 3.46Å; K254-L258 PolarHBondContact O-N 3.18Å; K254-L258 VanDerWaalsContact O-N 3.08Å |
| 255 | T | 46.7 | Very low | 48.3 | Very low | 92 Ų | 92 | 105.7 Ų | 105.7 | 56% | 0.564 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -79.5 | -33.4 | 179.9 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | P252 E253 S259 | P252-T255 PolarHBondContact O-OG1 3.34Å; E253-T255 VanDerWaalsContact C-N 3.3Å; E253-T255 PolarHBondContact O-N 3.27Å; T255-S259 WeakPolarHBondContact O-CB 3.36Å; T255-S259 PolarHBondContact O-N 2.92Å; T255-S259 PolarHBondContact O-OG 2.89Å |
| 256 | T | 49.2 | Very low | 49.8 | Very low | 85 Ų | 85 | 103.1 Ų | 103.1 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 172.5 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | E253 S259 H260 | E253-T256 PolarHBondContact O-N 3.39Å; E253-T256 PolarHBondContact O-OG1 2.91Å; T256-S259 PolarHBondContact O-OG 2.89Å; T256-H260 VanDerWaalsContact O-CB 3.29Å; T256-H260 WeakPolarHBondContact O-CB 3.49Å; T256-H260 PolarHBondContact O-N 3.12Å |
| 257 | L | 50.8 | Low | 51.5 | Low | 102 Ų | 102 | 104 Ų | 104 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 173.1 | -78.6 | 168 | 0 | 0 | 0 | 112.9 | E253 H260 S261 | E253-L257 WeakPolarHBondContact O-CB 3.24Å; E253-L257 WeakPolarHBondContact O-CG 3.47Å; E253-L257 PolarHBondContact O-N 3.26Å; L257-H260 PolarHBondContact O-N 2.87Å; L257-S261 WeakPolarHBondContact O-CB 3.47Å; L257-S261 PolarHBondContact O-N 2.77Å; L257-S261 PolarHBondContact O-OG 2.95Å |
| 258 | L | 51.7 | Low | 52.8 | Low | 101 Ų | 101 | 95.2 Ų | 95.2 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 177 | -76.5 | 169.6 | 0 | 0 | 0 | 111.5 | K254 H260 S261 F262 | K254-L258 WeakPolarHBondContact O-CB 3.11Å; K254-L258 VanDerWaalsContact O-CG 3.26Å; K254-L258 WeakPolarHBondContact O-CG 3.46Å; K254-L258 PolarHBondContact O-N 3.18Å; K254-L258 VanDerWaalsContact O-N 3.08Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 3.4Å; L258-S261 WeakPolarHBondContact O-CB 2.98Å; L258-S261 PolarHBondContact O-N 2.75Å; L258-S261 VanDerWaalsContact O-N 3.13Å; L258-F262 HydrophobicContact CB-CE2 4.29Å; L258-F262 HydrophobicContact CD2-CE2 4.46Å; L258-F262 WeakPolarHBondContact O-CD2 3.42Å; L258-F262 PolarHBondContact O-N 3.41Å |
| 259 | S | 53 | Low | 54.3 | Low | 54 Ų | 54 | 92.2 Ų | 92.2 | 38% | 0.378 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.2 | -26.4 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | T255 T256 R263 | T255-S259 WeakPolarHBondContact O-CB 3.36Å; T255-S259 PolarHBondContact O-N 2.92Å; T255-S259 PolarHBondContact O-OG 2.89Å; T256-S259 PolarHBondContact O-OG 2.89Å; S259-R263 WeakPolarHBondContact O-CB 3.39Å; S259-R263 WeakPolarHBondContact O-CD 3.36Å; S259-R263 WeakPolarHBondContact O-CG 3.36Å; S259-R263 PolarHBondContact O-N 2.83Å |
| 260 | H | 55.7 | Low | 55.7 | Low | 95 Ų | 95 | 88.5 Ų | 88.5 | 44% | 0.44 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.4 | -45 | 167.8 | -169.5 | -84.9 | 0 | 0 | 0 | 111.9 | T256 L257 L258 R263 Q264 | T256-H260 VanDerWaalsContact O-CB 3.29Å; T256-H260 WeakPolarHBondContact O-CB 3.49Å; T256-H260 PolarHBondContact O-N 3.12Å; L257-H260 PolarHBondContact O-N 2.87Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 3.4Å; H260-R263 PolarHBondContact O-N 3.43Å; H260-Q264 VanDerWaalsContact CE1-CD 3.42Å; H260-Q264 PolarHBondContact CE1-OE1 2.85Å; H260-Q264 VanDerWaalsContact CE1-OE1 3.23Å; H260-Q264 PolarHBondContact ND1-OE1 3.44Å; H260-Q264 WeakPolarHBondContact O-CG 3.21Å; H260-Q264 PolarHBondContact O-N 2.84Å |
| 261 | S | 58 | Low | 57.2 | Low | 41 Ų | 41 | 85.1 Ų | 85.1 | 29% | 0.287 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | L257 L258 Q264 L265 | L257-S261 WeakPolarHBondContact O-CB 3.47Å; L257-S261 PolarHBondContact O-N 2.77Å; L257-S261 PolarHBondContact O-OG 2.95Å; L258-S261 WeakPolarHBondContact O-CB 2.98Å; L258-S261 PolarHBondContact O-N 2.75Å; L258-S261 VanDerWaalsContact O-N 3.13Å; S261-Q264 PolarHBondContact O-N 2.87Å; S261-L265 PolarHBondContact O-N 2.9Å |
| 262 | F | 58.1 | Low | 58.4 | Low | 126 Ų | 126 | 79.1 Ų | 79.1 | 55% | 0.553 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 173.8 | -70.7 | -60.1 | 0 | 0 | 0 | 111.6 | L258 Q264 L265 D266 | L258-F262 HydrophobicContact CB-CE2 4.29Å; L258-F262 HydrophobicContact CD2-CE2 4.46Å; L258-F262 WeakPolarHBondContact O-CD2 3.42Å; L258-F262 PolarHBondContact O-N 3.41Å; F262-Q264 PolarHBondContact O-N 2.6Å; F262-L265 HydrophobicContact CD1-CD1 4.34Å; F262-L265 WeakPolarHBondContact O-CA 3.44Å; F262-L265 WeakPolarHBondContact O-CB 3.45Å; F262-L265 PolarHBondContact O-N 2.97Å; F262-D266 PolarHBondContact O-N 3.27Å |
| 263 | R | 62.2 | Low | 60.1 | Low | 183 Ų | 183 | 81.7 Ų | 81.7 | 69% | 0.691 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.8 | -24.2 | 174.5 | -75.6 | 172.3 | 174.7 | 179.6 | -0.6 | 114.3 | S259 H260 R267 | S259-R263 WeakPolarHBondContact O-CB 3.39Å; S259-R263 WeakPolarHBondContact O-CD 3.36Å; S259-R263 WeakPolarHBondContact O-CG 3.36Å; S259-R263 PolarHBondContact O-N 2.83Å; H260-R263 PolarHBondContact O-N 3.43Å; R263-R267 VanDerWaalsContact O-CB 3.23Å; R263-R267 WeakPolarHBondContact O-CB 3.43Å |
| 264 | Q | 61.8 | Low | 61.4 | Low | 30 Ų | 30 | 79.7 Ų | 79.7 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -76.1 | -41.7 | 170.7 | -74.7 | -179 | -75.3 | 0 | 0 | 111.2 | V235 H260 S261 F262 R267 I268 | V235-Q264 PolarHBondContact O-NE2 3.25Å; H260-Q264 VanDerWaalsContact CE1-CD 3.42Å; H260-Q264 PolarHBondContact CE1-OE1 2.85Å; H260-Q264 VanDerWaalsContact CE1-OE1 3.23Å; H260-Q264 PolarHBondContact ND1-OE1 3.44Å; H260-Q264 WeakPolarHBondContact O-CG 3.21Å; H260-Q264 PolarHBondContact O-N 2.84Å; S261-Q264 PolarHBondContact O-N 2.87Å; F262-Q264 PolarHBondContact O-N 2.6Å; Q264-R267 PolarHBondContact O-N 3Å; Q264-I268 VanDerWaalsContact O-CD1 3.3Å; Q264-I268 WeakPolarHBondContact O-CD1 3.42Å; Q264-I268 WeakPolarHBondContact O-CG1 3.31Å; Q264-I268 PolarHBondContact O-N 3.21Å |
| 265 | L | 63.2 | Low | 62.7 | Low | 58 Ų | 58 | 75 Ų | 75 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -55.1 | 174.4 | -71.5 | 166.5 | 0 | 0 | 0 | 112 | L73 S261 F262 R267 I268 D269 | L73-L265 HydrophobicContact CB-CD2 3.61Å; L73-L265 HydrophobicContact CD2-CD2 3.67Å; L73-L265 HydrophobicContact CD2-CG 4.02Å; L73-L265 HydrophobicContact CG-CD2 4.31Å; S261-L265 PolarHBondContact O-N 2.9Å; F262-L265 HydrophobicContact CD1-CD1 4.34Å; F262-L265 WeakPolarHBondContact O-CA 3.44Å; F262-L265 WeakPolarHBondContact O-CB 3.45Å; F262-L265 PolarHBondContact O-N 2.97Å; L265-R267 PolarHBondContact O-N 2.78Å; L265-I268 WeakPolarHBondContact O-CA 3.46Å; L265-I268 PolarHBondContact O-N 3.21Å; L265-D269 PolarHBondContact O-N 2.77Å |
| 266 | D | 64.8 | Low | 63.7 | Low | 103 Ų | 103 | 70.8 Ų | 70.8 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -50.9 | -36.4 | 178.4 | -57.2 | -33.2 | 0 | 0 | 0 | 111.9 | F262 S270 | F262-D266 PolarHBondContact O-N 3.27Å; D266-S270 VanDerWaalsContact O-CB 3.3Å; D266-S270 WeakPolarHBondContact O-CB 3.36Å; D266-S270 PolarHBondContact O-N 3.07Å; D266-S270 VanDerWaalsContact O-N 3.1Å |
| 267 | R | 70.7 | Confident | 64.7 | Low | 127 Ų | 127 | 72 Ų | 72 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -80.5 | -30.7 | -179.1 | -169.2 | 173.4 | -171.9 | -172.6 | 3.8 | 113.3 | V235 R263 Q264 L265 L271 | V235-R267 HydrophobicContact CG1-CG 4.37Å; V235-R267 VanDerWaalsContact CG2-CZ 3.4Å; R263-R267 VanDerWaalsContact O-CB 3.23Å; R263-R267 WeakPolarHBondContact O-CB 3.43Å; Q264-R267 PolarHBondContact O-N 3Å; L265-R267 PolarHBondContact O-N 2.78Å; R267-L271 HydrophobicContact CG-CD1 4.25Å; R267-L271 VanDerWaalsContact O-CB 3.26Å; R267-L271 WeakPolarHBondContact O-CB 3.48Å; R267-L271 WeakPolarHBondContact O-CD1 3.01Å; R267-L271 WeakPolarHBondContact O-CG 3.38Å; R267-L271 PolarHBondContact O-N 3.45Å; R267-L271 VanDerWaalsContact O-N 3.14Å |
| 268 | I | 68.8 | Low | 65.4 | Low | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.4 | -47.6 | 172.2 | -69.1 | 156.9 | 0 | 0 | 0 | 109.3 | Y71 L73 L232 L236 Q264 L265 L271 S272 | Y71-I268 WeakPolarHBondContact O-CG2 2.93Å; L73-I268 HydrophobicContact CB-CD1 4.08Å; L73-I268 HydrophobicContact CD1-CD1 3.84Å; L73-I268 HydrophobicContact CD2-CD1 4.48Å; L73-I268 HydrophobicContact CG-CD1 4.36Å; L232-I268 HydrophobicContact CD1-CB 4.3Å; L232-I268 HydrophobicContact CD1-CG1 3.89Å; L232-I268 HydrophobicContact CD1-CG2 4.3Å; L236-I268 HydrophobicContact CD2-CD1 3.77Å; L236-I268 HydrophobicContact CD2-CG1 4.29Å; Q264-I268 VanDerWaalsContact O-CD1 3.3Å; Q264-I268 WeakPolarHBondContact O-CD1 3.42Å; Q264-I268 WeakPolarHBondContact O-CG1 3.31Å; Q264-I268 PolarHBondContact O-N 3.21Å; L265-I268 WeakPolarHBondContact O-CA 3.46Å; L265-I268 PolarHBondContact O-N 3.21Å; I268-L271 PolarHBondContact O-N 2.97Å; I268-S272 WeakPolarHBondContact O-CB 3.48Å; I268-S272 PolarHBondContact O-N 3.09Å |
| 269 | D | 69.8 | Low | 66.1 | Low | 88 Ų | 88 | 65.8 Ų | 65.8 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60 | -52.6 | 179.7 | -72.5 | -37 | 0 | 0 | 0 | 110.4 | L265 L271 S272 E273 | L265-D269 PolarHBondContact O-N 2.77Å; D269-L271 VanDerWaalsContact C-N 3.32Å; D269-L271 PolarHBondContact O-N 3.2Å; D269-S272 WeakPolarHBondContact O-CA 2.99Å; D269-S272 WeakPolarHBondContact O-CB 3.31Å; D269-S272 PolarHBondContact O-N 2.84Å; D269-S272 PolarHBondContact O-OG 3.4Å; D269-E273 PolarHBondContact O-N 2.05Å |
| 270 | S | 74.5 | Confident | 66.7 | Low | 48 Ų | 48 | 67.3 Ų | 67.3 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.7 | -33.6 | 177.6 | -171.2 | 0 | 0 | 0 | 0 | 113.8 | D266 Q274 | D266-S270 VanDerWaalsContact O-CB 3.3Å; D266-S270 WeakPolarHBondContact O-CB 3.36Å; D266-S270 PolarHBondContact O-N 3.07Å; D266-S270 VanDerWaalsContact O-N 3.1Å; S270-Q274 VanDerWaalsContact O-CG 3.25Å; S270-Q274 WeakPolarHBondContact O-CG 3.03Å; S270-Q274 PolarHBondContact O-N 3.28Å; S270-Q274 VanDerWaalsContact O-N 3.09Å; S270-Q274 PolarHBondContact OG-NE2 3.44Å |
| 271 | L | 68.9 | Low | 67.2 | Low | 9 Ų | 9 | 71.1 Ų | 71.1 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.6 | -36.7 | 172.6 | -76.5 | 171.6 | 0 | 0 | 0 | 111.9 | L228 L232 R267 I268 D269 Q274 I275 | L228-L271 HydrophobicContact CD2-CD2 3.52Å; L232-L271 HydrophobicContact CB-CD1 4.18Å; L232-L271 HydrophobicContact CD1-CB 4.3Å; L232-L271 HydrophobicContact CD1-CD1 3.89Å; R267-L271 HydrophobicContact CG-CD1 4.25Å; R267-L271 VanDerWaalsContact O-CB 3.26Å; R267-L271 WeakPolarHBondContact O-CB 3.48Å; R267-L271 WeakPolarHBondContact O-CD1 3.01Å; R267-L271 WeakPolarHBondContact O-CG 3.38Å; R267-L271 PolarHBondContact O-N 3.45Å; R267-L271 VanDerWaalsContact O-N 3.14Å; I268-L271 PolarHBondContact O-N 2.97Å; D269-L271 VanDerWaalsContact C-N 3.32Å; D269-L271 PolarHBondContact O-N 3.2Å; L271-Q274 PolarHBondContact O-N 3.02Å; L271-I275 WeakPolarHBondContact O-CB 3.05Å; L271-I275 WeakPolarHBondContact O-CG1 3.4Å; L271-I275 PolarHBondContact O-N 3.11Å |
| 272 | S | 71.3 | Confident | 67.4 | Low | 10 Ų | 10 | 75.3 Ų | 75.3 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.7 | -33.6 | 176.6 | 83.3 | 0 | 0 | 0 | 0 | 112.5 | I268 D269 G276 | I268-S272 WeakPolarHBondContact O-CB 3.48Å; I268-S272 PolarHBondContact O-N 3.09Å; D269-S272 WeakPolarHBondContact O-CA 2.99Å; D269-S272 WeakPolarHBondContact O-CB 3.31Å; D269-S272 PolarHBondContact O-N 2.84Å; D269-S272 PolarHBondContact O-OG 3.4Å; S272-G276 PolarHBondContact O-N 3.29Å |
| 273 | E | 76.1 | Confident | 67.5 | Low | 132 Ų | 132 | 71.2 Ų | 71.2 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66 | -46 | 170.5 | -69.9 | -178.4 | 153 | 0 | 0 | 111.3 | D269 G276 F277 | D269-E273 PolarHBondContact O-N 2.05Å; E273-G276 CarbonylContact O-C 3.5Å; E273-G276 PolarHBondContact O-N 3.26Å; E273-F277 WeakPolarHBondContact O-CB 3.14Å; E273-F277 PolarHBondContact O-N 2.04Å |
| 274 | Q | 72.4 | Confident | 67.4 | Low | 89 Ų | 89 | 66.6 Ų | 66.6 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 178.9 | -74.2 | 171.1 | 36.4 | 0 | 0 | 112.8 | S270 L271 G276 F277 L278 | S270-Q274 VanDerWaalsContact O-CG 3.25Å; S270-Q274 WeakPolarHBondContact O-CG 3.03Å; S270-Q274 PolarHBondContact O-N 3.28Å; S270-Q274 VanDerWaalsContact O-N 3.09Å; S270-Q274 PolarHBondContact OG-NE2 3.44Å; L271-Q274 PolarHBondContact O-N 3.02Å; Q274-G276 VanDerWaalsContact C-N 3.32Å; Q274-F277 PolarHBondContact O-N 3.27Å; Q274-L278 WeakPolarHBondContact O-CG 3.12Å; Q274-L278 PolarHBondContact O-N 3.03Å |
| 275 | I | 69.9 | Low | 67.3 | Low | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 171.9 | -72 | 160.4 | 0 | 0 | 0 | 108.9 | Y71 L228 E229 L232 L271 F277 L278 E279 | Y71-I275 HydrophobicContact CE2-CD1 4.39Å; L228-I275 HydrophobicContact CB-CD1 4.47Å; L228-I275 HydrophobicContact CB-CG1 4.16Å; E229-I275 HydrophobicContact CG-CD1 4.04Å; L232-I275 HydrophobicContact CD2-CD1 4.36Å; L271-I275 WeakPolarHBondContact O-CB 3.05Å; L271-I275 WeakPolarHBondContact O-CG1 3.4Å; L271-I275 PolarHBondContact O-N 3.11Å; I275-F277 VanDerWaalsContact C-N 3.3Å; I275-F277 PolarHBondContact O-N 2.94Å; I275-L278 CarbonylContact O-C 3.59Å; I275-L278 WeakPolarHBondContact O-CA 3.47Å; I275-L278 WeakPolarHBondContact O-CB 3.22Å; I275-L278 PolarHBondContact O-N 3.12Å; I275-E279 HydrophobicContact CG2-CG 4.2Å; I275-E279 WeakPolarHBondContact O-CG 3.44Å; I275-E279 PolarHBondContact O-N 3.21Å |
| 276 | G | 67.8 | Low | 67.2 | Low | 2 Ų | 2 | 68.2 Ų | 68.2 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -25.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K68 S272 E273 Q274 E280 | K68-G276 VanDerWaalsContact NZ-C 3.34Å; K68-G276 PolarHBondContact NZ-O 2.94Å; S272-G276 PolarHBondContact O-N 3.29Å; E273-G276 CarbonylContact O-C 3.5Å; E273-G276 PolarHBondContact O-N 3.26Å; Q274-G276 VanDerWaalsContact C-N 3.32Å; G276-E280 WeakPolarHBondContact O-CB 3.46Å; G276-E280 PolarHBondContact O-N 3.33Å |
| 277 | F | 69.3 | Low | 67.1 | Low | 111 Ų | 111 | 66 Ų | 66 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -79.7 | -30.7 | 172 | 175.7 | -107.2 | 0 | 0 | 0 | 111.8 | E273 Q274 I275 R281 | E273-F277 WeakPolarHBondContact O-CB 3.14Å; E273-F277 PolarHBondContact O-N 2.04Å; Q274-F277 PolarHBondContact O-N 3.27Å; I275-F277 VanDerWaalsContact C-N 3.3Å; I275-F277 PolarHBondContact O-N 2.94Å; F277-R281 HydrophobicContact CZ-CG 4.46Å; F277-R281 WeakPolarHBondContact O-CG 3.07Å; F277-R281 PolarHBondContact O-N 3.21Å; F277-R281 VanDerWaalsContact O-N 3.11Å |
| 278 | L | 66 | Low | 66.6 | Low | 23 Ų | 23 | 68.3 Ų | 68.3 | 12% | 0.12 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -73.5 | -40.8 | 172.4 | -66 | 169.5 | 0 | 0 | 0 | 111.1 | L221 V225 L228 Q274 I275 E280 R281 L282 | L221-L278 HydrophobicContact CD2-CD2 3.94Å; V225-L278 HydrophobicContact CG2-CB 3.74Å; V225-L278 HydrophobicContact CG2-CD1 3.75Å; V225-L278 HydrophobicContact CG2-CG 4.34Å; L228-L278 HydrophobicContact CD1-CD1 4.01Å; Q274-L278 WeakPolarHBondContact O-CG 3.12Å; Q274-L278 PolarHBondContact O-N 3.03Å; I275-L278 CarbonylContact O-C 3.59Å; I275-L278 WeakPolarHBondContact O-CA 3.47Å; I275-L278 WeakPolarHBondContact O-CB 3.22Å; I275-L278 PolarHBondContact O-N 3.12Å; L278-E280 VanDerWaalsContact C-N 3.31Å; L278-E280 PolarHBondContact O-N 2.67Å; L278-R281 CarbonylContact O-C 3.53Å; L278-R281 PolarHBondContact O-N 2.8Å; L278-L282 WeakPolarHBondContact O-CB 3.22Å; L278-L282 WeakPolarHBondContact O-CD1 3.28Å; L278-L282 VanDerWaalsContact O-CG 3.22Å; L278-L282 WeakPolarHBondContact O-CG 3.24Å; L278-L282 PolarHBondContact O-N 2.7Å |
| 279 | E | 65.6 | Low | 66 | Low | 49 Ų | 49 | 75.2 Ų | 75.2 | 23% | 0.229 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 171.3 | -71.3 | -177.7 | 137.8 | 0 | 0 | 112.5 | I275 L282 G283 T284 | I275-E279 HydrophobicContact CG2-CG 4.2Å; I275-E279 WeakPolarHBondContact O-CG 3.44Å; I275-E279 PolarHBondContact O-N 3.21Å; E279-L282 PolarHBondContact O-N 3.34Å; E279-G283 PolarHBondContact O-N 3.45Å; E279-T284 PolarHBondContact O-OG1 3.1Å |
| 280 | E | 66.8 | Low | 65.1 | Low | 86 Ų | 86 | 81.4 Ų | 81.4 | 40% | 0.402 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 176.3 | -179.5 | 163.2 | -129 | 0 | 0 | 111.5 | Y54 G276 L278 L282 G283 | Y54-E280 PolarHBondContact OH-OE1 2.79Å; G276-E280 WeakPolarHBondContact O-CB 3.46Å; G276-E280 PolarHBondContact O-N 3.33Å; L278-E280 VanDerWaalsContact C-N 3.31Å; L278-E280 PolarHBondContact O-N 2.67Å; E280-L282 PolarHBondContact O-N 3.48Å; E280-G283 PolarHBondContact O-N 3.48Å |
| 281 | R | 64.7 | Low | 64.6 | Low | 175 Ų | 175 | 83.1 Ų | 83.1 | 66% | 0.66 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.6 | -15 | 173.2 | -72.9 | -177 | 63.2 | 174 | -0.4 | 114.3 | F277 L278 G283 | F277-R281 HydrophobicContact CZ-CG 4.46Å; F277-R281 WeakPolarHBondContact O-CG 3.07Å; F277-R281 PolarHBondContact O-N 3.21Å; F277-R281 VanDerWaalsContact O-N 3.11Å; L278-R281 CarbonylContact O-C 3.53Å; L278-R281 PolarHBondContact O-N 2.8Å; R281-G283 VanDerWaalsContact C-N 3.35Å |
| 282 | L | 62.1 | Low | 64.4 | Low | 129 Ų | 129 | 87 Ų | 87 | 68% | 0.675 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0.9 | 171.5 | -72.6 | 165.1 | 0 | 0 | 0 | 113 | L278 E279 E280 | L278-L282 WeakPolarHBondContact O-CB 3.22Å; L278-L282 WeakPolarHBondContact O-CD1 3.28Å; L278-L282 VanDerWaalsContact O-CG 3.22Å; L278-L282 WeakPolarHBondContact O-CG 3.24Å; L278-L282 PolarHBondContact O-N 2.7Å; E279-L282 PolarHBondContact O-N 3.34Å; E280-L282 PolarHBondContact O-N 3.48Å |
| 283 | G | 60.7 | Low | 64 | Low | 40 Ų | 40 | 91.3 Ų | 91.3 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 31.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | E279 E280 R281 C285 | E279-G283 PolarHBondContact O-N 3.45Å; E280-G283 PolarHBondContact O-N 3.48Å; R281-G283 VanDerWaalsContact C-N 3.35Å; G283-C285 VanDerWaalsContact C-N 3.26Å; G283-C285 PolarHBondContact O-N 3.25Å |
| 284 | T | 59.6 | Low | 63.3 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -69.5 | -12.9 | -177.7 | 51.7 | 0 | 0 | 0 | 0 | 115.7 | E279 | E279-T284 PolarHBondContact O-OG1 3.1Š|
| 285 | C | 61 | Low | 62.7 | Low | 33 Ų | 33 | 88.9 Ų | 88.9 | 22% | 0.223 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -147 | 93.6 | 163.7 | -123.2 | 0 | 0 | 0 | 0 | 108 | C64 T66 G283 | C64-C285 HydrophobicContact CB-CB 4.1Å; C64-C285 WeakPolarHBondContact CB-SG 3.33Å; C64-C285 WeakPolarHBondContact SG-CB 3.46Å; C64-C285 CovalentContact SG-SG 2.05Å; C64-C285 PolarHBondContact SG-SG 3.23Å; T66-C285 HydrophobicContact CG2-CB 4.06Å; G283-C285 VanDerWaalsContact C-N 3.26Å; G283-C285 PolarHBondContact O-N 3.25Å |
| 286 | S | 61.1 | Low | 62.3 | Low | 89 Ų | 89 | 94.7 Ų | 94.7 | 62% | 0.622 | 50% | 0.496 | S | S | * | . | trans | -95.4 | 120.6 | 178.7 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | Q288 | S286-Q288 PolarHBondContact O-N 2.98Å; S286-Q288 VanDerWaalsContact O-N 3.1Å | ||
| 287 | C | 61.3 | Low | 61.9 | Low | 57 Ų | 57 | 101.4 Ų | 101.4 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | trans | -75.5 | 94.6 | 166.5 | -62 | 0 | 0 | 0 | 0 | 108.6 | C58 E289 | C58-C287 WeakPolarHBondContact CA-SG 3.37Å; C58-C287 HydrophobicContact CB-CB 3.73Å; C58-C287 WeakPolarHBondContact CB-SG 3.47Å; C58-C287 WeakPolarHBondContact SG-CB 3.2Å; C58-C287 CovalentContact SG-SG 2.04Å; C58-C287 PolarHBondContact SG-SG 3Å; C287-E289 PolarHBondContact O-N 2.73Å | ||
| 288 | Q | 60.8 | Low | 61.3 | Low | 175 Ų | 175 | 100.6 Ų | 100.6 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | trans | -72.5 | 110.5 | 179.3 | -160.3 | 170.1 | 7.6 | 0 | 0 | 109.9 | S286 | S286-Q288 PolarHBondContact O-N 2.98Å; S286-Q288 VanDerWaalsContact O-N 3.1Å | ||
| 289 | E | 57.2 | Low | 60.9 | Low | 148 Ų | 148 | 107.1 Ų | 107.1 | 69% | 0.692 | 57% | 0.568 | S | S | * | * | trans | -66.6 | 145.8 | 164.8 | -72.2 | -178.5 | 144.5 | 0 | 0 | 109.7 | Q59 C287 | Q59-E289 PolarHBondContact NE2-OE1 3.33Å; C287-E289 PolarHBondContact O-N 2.73Å | ||
| 290 | N | 50.1 | Low | 60.5 | Low | 218 Ų | 218 | 112.4 Ų | 112.4 | 100% | 1.166 | 60% | 0.598 | S | S | * | * | trans | -151.7 | 0 | -170.9 | -169.3 | 127.4 | 0 | 0 | 0 | 109.5 |
Retrieved 290 of 290 residues in 365.6 ms
(Link to these results)