| 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 | 33.5 | Very low | 29.3 | Very low | 240 Ų | 240 | 145.9 Ų | 145.9 | 100% | 1.182 | 83% | 0.829 | S | S | * | * | 0 | 142.7 | 0 | -68.5 | 159.4 | 66.7 | 0 | 0 | 107.1 | |||||
| 2 | A | 32.3 | Very low | 29.1 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | 29.4 | 114.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 3 | A | 28.5 | Very low | 28.7 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | cis | 66.8 | 152.5 | 34.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 4 | V | 29.8 | Very low | 28.6 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | 74.9 | 132.5 | 167.6 | 149 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 5 | L | 31.4 | Very low | 28.3 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | cis | -153.1 | 156.7 | 3.5 | -107.2 | 167.8 | 0 | 0 | 0 | 114 | ||||
| 6 | E | 27.4 | Very low | 28.2 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 28.7 | 149.9 | 143.7 | -81.2 | 165.6 | -165.3 | 0 | 0 | 126.3 | ||||
| 7 | G | 26.8 | Very low | 28 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -178 | 116.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 8 | Q | 25.7 | Very low | 27.9 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -96.5 | 167.6 | -178.2 | -67.6 | -178.7 | -95.4 | 0 | 0 | 112.8 | ||||
| 9 | E | 31.6 | Very low | 27.9 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -70.7 | 174.8 | 179.1 | -54.3 | -173.7 | 147.7 | 0 | 0 | 113.4 | ||||
| 10 | P | 31.5 | Very low | 27.9 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | -143.1 | 179.3 | 95.8 | 41.4 | -28.5 | 0 | 0 | 0 | 116.3 | |||||
| 11 | E | 24.2 | Very low | 27.8 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -21 | 157.4 | 150.2 | -55 | 160.9 | 136.3 | 0 | 0 | 115.6 | ||||
| 12 | E | 26.3 | Very low | 27.4 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | cis | -155 | -177.2 | 13.8 | -142.1 | -150.7 | -176.9 | 0 | 0 | 106.9 | ||||
| 13 | T | 24.5 | Very low | 27.2 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | cis | -144.1 | 173.7 | 4.5 | -25.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 14 | A | 27.4 | Very low | 27.2 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -156.4 | 175.2 | 19 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 15 | A | 23.6 | Very low | 27.2 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -138.2 | 149.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 16 | A | 26.2 | Very low | 27.3 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -157.4 | 107.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 17 | A | 26.3 | Very low | 27.5 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | 79.9 | 100.2 | 81.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 18 | E | 26.3 | Very low | 27.7 | Very low | 189 Ų | 189 | 128.4 Ų | 128.4 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | 88.5 | 117 | 82.8 | -84.9 | -178.1 | 151 | 0 | 0 | 112.1 | |||||
| 19 | D | 26.8 | Very low | 28.4 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -147 | 67.6 | 132.5 | -160.2 | -11.4 | 0 | 0 | 0 | 109.4 | A21 | D19-A21 VanDerWaalsContact C-N 3.28Å; D19-A21 PolarHBondContact O-N 2.88Å | ||
| 20 | A | 27.5 | Very low | 28.3 | Very low | 80 Ų | 80 | 120.5 Ų | 120.5 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | trans | -82.8 | 80.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108 | T22 | A20-T22 PolarHBondContact O-N 3.16Å; A20-T22 PolarHBondContact O-OG1 3.07Å | ||
| 21 | A | 25.9 | Very low | 28.2 | Very low | 84 Ų | 84 | 117.4 Ų | 117.4 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | trans | -64.3 | 79 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D19 S23 | D19-A21 VanDerWaalsContact C-N 3.28Å; D19-A21 PolarHBondContact O-N 2.88Å; A21-S23 PolarHBondContact O-N 3.21Å; A21-S23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | T | 26.6 | Very low | 28.5 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | trans | -74.4 | 100.8 | -177.1 | -36.9 | 0 | 0 | 0 | 0 | 109.6 | A20 T24 | A20-T22 PolarHBondContact O-N 3.16Å; A20-T22 PolarHBondContact O-OG1 3.07Å; T22-T24 HydrophobicContact CG2-CG2 3.67Å; T22-T24 PolarHBondContact O-N 2.97Å | ||
| 23 | S | 26.2 | Very low | 29 | Very low | 112 Ų | 112 | 110.2 Ų | 110.2 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -80.3 | 75.4 | 164.6 | 48.7 | 0 | 0 | 0 | 0 | 110.1 | A21 L25 | A21-S23 PolarHBondContact O-N 3.21Å; A21-S23 VanDerWaalsContact O-N 3.13Å; S23-L25 PolarHBondContact O-N 2.72Å | ||
| 24 | T | 29.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 106.8 Ų | 106.8 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | trans | -61.2 | 99.4 | 172.5 | 48.5 | 0 | 0 | 0 | 0 | 110.8 | T22 | T22-T24 HydrophobicContact CG2-CG2 3.67Å; T22-T24 PolarHBondContact O-N 2.97Å | ||
| 25 | L | 29.1 | Very low | 30.1 | Very low | 153 Ų | 153 | 107.9 Ų | 107.9 | 80% | 0.801 | 71% | 0.709 | S | S | * | * | trans | -104.4 | 74.7 | 158.8 | -77.6 | 173.6 | 0 | 0 | 0 | 109.4 | S23 A27 | S23-L25 PolarHBondContact O-N 2.72Å; L25-A27 PolarHBondContact O-N 3.04Å; L25-A27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | E | 34.7 | Very low | 31.4 | Very low | 194 Ų | 194 | 105.9 Ų | 105.9 | 91% | 0.907 | 68% | 0.681 | S | S | * | * | trans | -62.4 | 107.3 | 149.3 | -73.6 | -162 | 128.1 | 0 | 0 | 107.8 | ||||
| 27 | A | 30.4 | Very low | 32.6 | Very low | 67 Ų | 67 | 103.9 Ų | 103.9 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | trans | -140.3 | 49.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L25 | L25-A27 PolarHBondContact O-N 3.04Å; L25-A27 VanDerWaalsContact O-N 3.16Å | ||
| 28 | V | 31.7 | Very low | 33.7 | Very low | 135 Ų | 135 | 103.5 Ų | 103.5 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | trans | 65.3 | 161.4 | 150 | -171 | 0 | 0 | 0 | 0 | 117 | A30 | V28-A30 VanDerWaalsContact C-N 3.25Å; V28-A30 PolarHBondContact O-N 3.13Å | ||
| 29 | D | 39.5 | Very low | 34.8 | Very low | 157 Ų | 157 | 99.9 Ų | 99.9 | 84% | 0.84 | 65% | 0.65 | S | S | * | * | trans | -58.9 | 86.3 | 159 | 179.7 | 26.1 | 0 | 0 | 0 | 110.3 | G31 | D29-G31 PolarHBondContact O-N 2.94Å; D29-G31 VanDerWaalsContact O-N 3.07Å | ||
| 30 | A | 30.2 | Very low | 36.3 | Very low | 51 Ų | 51 | 95.2 Ų | 95.2 | 42% | 0.421 | 64% | 0.636 | S | S | . | * | trans | -78.5 | 92.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V28 A34 | V28-A30 VanDerWaalsContact C-N 3.25Å; V28-A30 PolarHBondContact O-N 3.13Å; A30-A34 HydrophobicContact CB-CB 3.89Å | ||
| 31 | G | 28.5 | Very low | 38.9 | Very low | 46 Ų | 46 | 93.8 Ų | 93.8 | 47% | 0.474 | 62% | 0.617 | S | S | . | * | trans | -52.6 | 166.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D29 G33 | D29-G31 PolarHBondContact O-N 2.94Å; D29-G31 VanDerWaalsContact O-N 3.07Å; G31-G33 PolarHBondContact O-N 2.74Å | ||
| 32 | P | 30.7 | Very low | 41.6 | Very low | 128 Ų | 128 | 93.4 Ų | 93.4 | 83% | 0.831 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 84.4 | -166.3 | 28.1 | -36.4 | 0 | 0 | 0 | 113.1 | ||
| 33 | G | 36.8 | Very low | 44.5 | Very low | 68 Ų | 68 | 88.7 Ų | 88.7 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176.9 | -12.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117 | G31 | G31-G33 PolarHBondContact O-N 2.74Š|
| 34 | A | 34 | Very low | 47.3 | Very low | 36 Ų | 36 | 86 Ų | 86 | 30% | 0.298 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -71.7 | 145.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A30 F36 | A30-A34 HydrophobicContact CB-CB 3.89Å; A34-F36 WeakPolarHBondContact O-CD2 3.44Å; A34-F36 PolarHBondContact O-N 3.45Å |
| 35 | P | 41.2 | Very low | 49.8 | Very low | 115 Ų | 115 | 81.7 Ų | 81.7 | 75% | 0.747 | 52% | 0.522 | S | S | * | . | trans | -70.2 | 125.2 | 175.1 | 28.5 | -33.4 | 0 | 0 | 0 | 111 | ||||
| 36 | F | 50.5 | Low | 52.3 | Low | 61 Ų | 61 | 75 Ų | 75 | 27% | 0.268 | 49% | 0.486 | S | S | . | . | trans | -90.9 | -9 | -169.3 | -82 | -65.5 | 0 | 0 | 0 | 116.2 | A34 P38 R54 L58 | A34-F36 WeakPolarHBondContact O-CD2 3.44Å; A34-F36 PolarHBondContact O-N 3.45Å; F36-P38 VanDerWaalsContact O-CD 3.27Å; F36-P38 WeakPolarHBondContact O-CD 3.32Å; F36-R54 VanDerWaalsContact CZ-NH2 3.34Å; F36-L58 HydrophobicContact CB-CD2 4.21Å; F36-L58 HydrophobicContact CD2-CD2 4.35Å; F36-L58 HydrophobicContact CG-CD2 4.4Å | ||
| 37 | L | 52.1 | Low | 54 | Low | 55 Ų | 55 | 71.9 Ų | 71.9 | 29% | 0.288 | 48% | 0.475 | S | S | . | . | trans | -81.1 | 114.6 | 175.3 | -68.9 | 173.1 | 0 | 0 | 0 | 109.8 | Q65 V69 | L37-Q65 HydrophobicContact CD1-CB 4.41Å; L37-V69 HydrophobicContact CD2-CG2 3.96Å | ||
| 38 | P | 48.7 | Very low | 55.7 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | trans | -61.2 | 153.8 | 163.3 | 29.5 | -35.2 | 0 | 0 | 0 | 109.5 | F36 G40 Q42 | F36-P38 VanDerWaalsContact O-CD 3.27Å; F36-P38 WeakPolarHBondContact O-CD 3.32Å; P38-G40 PolarHBondContact O-N 3.06Å; P38-Q42 WeakPolarHBondContact CD-O 3.37Å; P38-Q42 VanDerWaalsContact CG-O 3.31Å; P38-Q42 WeakPolarHBondContact CG-O 3.27Å | ||
| 39 | A | 49.3 | Very low | 57.4 | Low | 112 Ų | 112 | 77.9 Ų | 77.9 | 93% | 0.926 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 115.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 40 | G | 59.8 | Low | 59.2 | Low | 49 Ų | 49 | 71.7 Ų | 71.7 | 51% | 0.505 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 117.4 | 24.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | P38 Q42 | P38-G40 PolarHBondContact O-N 3.06Å; G40-Q42 WeakPolarHBondContact O-CG 3.31Å; G40-Q42 PolarHBondContact O-N 3.4Å; G40-Q42 VanDerWaalsContact O-N 3.17Å |
| 41 | N | 80.7 | Confident | 61.7 | Low | 50 Ų | 50 | 69.5 Ų | 69.5 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 26.9 | 173.2 | -67 | -17.1 | 0 | 0 | 0 | 115.1 | Q68 V69 E70 F71 | N41-Q68 VanDerWaalsContact CB-O 3.32Å; N41-Q68 WeakPolarHBondContact CB-O 3.49Å; N41-Q68 VanDerWaalsContact CG-O 3.25Å; N41-Q68 PolarHBondContact ND2-O 3.17Å; N41-V69 WeakPolarHBondContact O-CA 3.42Å; N41-E70 HydrophobicContact CB-CB 4.17Å; N41-E70 HydrophobicContact CB-CG 4.05Å; N41-E70 PolarHBondContact ND2-OE1 2.98Å; N41-E70 PolarHBondContact O-N 3.29Å; N41-F71 PolarHBondContact O-N 2.89Å |
| 42 | Q | 84.3 | Confident | 64.4 | Low | 76 Ų | 76 | 67.3 Ų | 67.3 | 36% | 0.355 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.6 | -179.9 | -52.7 | -165.4 | -3.8 | 0 | 0 | 111.8 | P38 G40 N44 F71 | P38-Q42 WeakPolarHBondContact CD-O 3.37Å; P38-Q42 VanDerWaalsContact CG-O 3.31Å; P38-Q42 WeakPolarHBondContact CG-O 3.27Å; G40-Q42 WeakPolarHBondContact O-CG 3.31Å; G40-Q42 PolarHBondContact O-N 3.4Å; G40-Q42 VanDerWaalsContact O-N 3.17Å; Q42-N44 PolarHBondContact OE1-ND2 3.47Å; Q42-F71 HydrophobicContact CB-CB 4.31Å; Q42-F71 HydrophobicContact CG-CB 4.1Å; Q42-F71 HydrophobicContact CG-CD2 3.96Å; Q42-F71 HydrophobicContact CG-CG 4.23Å |
| 43 | L | 86.1 | Confident | 67 | Low | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.063 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 86.3 | 177.6 | -175.8 | 51.4 | 0 | 0 | 0 | 109.7 | L45 L55 L58 L66 V69 F71 L72 R73 | L43-L45 HydrophobicContact CD1-CD1 4.03Å; L43-L45 HydrophobicContact CD1-CD2 3.78Å; L43-L45 HydrophobicContact CD1-CG 3.82Å; L43-L45 HydrophobicContact CD2-CD1 4.32Å; L43-L45 HydrophobicContact CG-CD1 3.95Å; L43-L45 HydrophobicContact CG-CD2 4.48Å; L43-L45 HydrophobicContact CG-CG 3.97Å; L43-L55 HydrophobicContact CD2-CD1 4.12Å; L43-L58 HydrophobicContact CD1-CD1 3.84Å; L43-L58 HydrophobicContact CD2-CD1 4.03Å; L43-L66 HydrophobicContact CD2-CD2 3.56Å; L43-V69 HydrophobicContact CB-CG1 3.85Å; L43-V69 HydrophobicContact CB-CG2 4.15Å; L43-V69 HydrophobicContact CD2-CG2 4.17Å; L43-F71 PolarHBondContact N-O 3.47Å; L43-L72 HydrophobicContact CB-CD1 4.14Å; L43-L72 HydrophobicContact CD2-CD1 4Å; L43-L72 HydrophobicContact CG-CD1 3.91Å; L43-R73 PolarHBondContact O-N 3.36Å |
| 44 | N | 86.2 | Confident | 69.2 | Low | 56 Ų | 56 | 67.5 Ų | 67.5 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 95.1 | -175.4 | -58.1 | -25.3 | 0 | 0 | 0 | 109.9 | Q42 L47 R73 | Q42-N44 PolarHBondContact OE1-ND2 3.47Å; N44-L47 HydrophobicContact CB-CD1 4.47Å; N44-R73 VanDerWaalsContact OD1-CD 3.31Å; N44-R73 WeakPolarHBondContact OD1-CD 3.45Å |
| 45 | L | 82.6 | Confident | 71.7 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | trans | -105.7 | 4.5 | -176.2 | -59.5 | 177.7 | 0 | 0 | 0 | 113.2 | L43 R54 L55 R73 L74 | L43-L45 HydrophobicContact CD1-CD1 4.03Å; L43-L45 HydrophobicContact CD1-CD2 3.78Å; L43-L45 HydrophobicContact CD1-CG 3.82Å; L43-L45 HydrophobicContact CD2-CD1 4.32Å; L43-L45 HydrophobicContact CG-CD1 3.95Å; L43-L45 HydrophobicContact CG-CD2 4.48Å; L43-L45 HydrophobicContact CG-CG 3.97Å; L45-R54 HydrophobicContact CD2-CB 4.4Å; L45-R54 HydrophobicContact CD2-CG 3.79Å; L45-L55 HydrophobicContact CD1-CB 3.7Å; L45-L55 HydrophobicContact CD1-CD1 4.06Å; L45-L55 HydrophobicContact CD1-CG 4.31Å; L45-R73 WeakPolarHBondContact CA-O 3.14Å; L45-R73 WeakPolarHBondContact CB-O 3.47Å; L45-R73 PolarHBondContact N-O 2.9Å; L45-L74 HydrophobicContact CB-CD1 4.07Å | ||
| 46 | D | 80.3 | Confident | 73.8 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 6% | 0.059 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -82.4 | -23.1 | 174.4 | 56 | -20.5 | 0 | 0 | 0 | 113.5 | R48 R73 Q106 | D46-R48 VanDerWaalsContact C-N 3.3Å; D46-R48 PolarHBondContact O-N 3.25Å; D46-R73 HydrophobicContact CB-CB 4.48Å; D46-R73 PolarHBondContact N-O 3.16Å; D46-R73 IonicContact OD1-NE 3.61Å; D46-R73 IonicContact OD2-CZ 3.18Å; D46-R73 IonicContact OD2-NE 2.78Å; D46-R73 PolarHBondContact OD2-NE 3.22Å; D46-R73 IonicContact OD2-NH2 2.72Å; D46-R73 PolarHBondContact OD2-NH2 3.49Å; D46-Q106 PolarHBondContact OD2-NE2 3.05Å; D46-Q106 PolarHBondContact OD2-OE1 3.49Å |
| 47 | L | 70.6 | Confident | 75.5 | Confident | 129 Ų | 129 | 63.9 Ų | 63.9 | 68% | 0.675 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -76.4 | -5.5 | -178.3 | -61.4 | 177.5 | 0 | 0 | 0 | 115.1 | N44 | N44-L47 HydrophobicContact CB-CD1 4.47Š|
| 48 | R | 66.3 | Low | 77 | Confident | 206 Ų | 206 | 61.7 Ų | 61.7 | 78% | 0.777 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -142.5 | 143.9 | -178 | -63.2 | -171.2 | -176.7 | -149.5 | 1.7 | 111.3 | D46 | D46-R48 VanDerWaalsContact C-N 3.3Å; D46-R48 PolarHBondContact O-N 3.25Å |
| 49 | P | 67.8 | Low | 78.7 | Confident | 123 Ų | 123 | 59.3 Ų | 59.3 | 80% | 0.799 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -67 | 150.3 | 171.5 | 30.2 | -35.4 | 0 | 0 | 0 | 111.3 | ||
| 50 | G | 77 | Confident | 80.4 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | trans | 84.8 | 24.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C52 H53 R54 E78 | G50-C52 PolarHBondContact O-N 3.12Å; G50-H53 PolarHBondContact O-N 3.04Å; G50-R54 PolarHBondContact O-N 2.74Å; G50-E78 VanDerWaalsContact CA-OE1 3.26Å; G50-E78 WeakPolarHBondContact CA-OE1 3.46Å; G50-E78 PolarHBondContact N-OE1 3.43Å | ||
| 51 | G | 83.1 | Confident | 81.3 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R54 L55 E78 | G51-R54 PolarHBondContact O-N 2.74Å; G51-L55 PolarHBondContact O-N 3.48Å; G51-E78 PolarHBondContact N-OE1 3.37Å; G51-E78 PolarHBondContact N-OE2 3.1Å |
| 52 | C | 84.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -45 | 177.9 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | G50 R54 L55 Q56 E78 L82 T86 | G50-C52 PolarHBondContact O-N 3.12Å; C52-R54 VanDerWaalsContact C-N 3.31Å; C52-R54 PolarHBondContact O-N 2.96Å; C52-L55 PolarHBondContact O-N 3.17Å; C52-L55 VanDerWaalsContact O-N 3.17Å; C52-Q56 WeakPolarHBondContact O-CG 3.36Å; C52-Q56 PolarHBondContact O-N 3.31Å; C52-E78 WeakPolarHBondContact CB-OE2 3.5Å; C52-E78 PolarHBondContact N-OE2 2.85Å; C52-E78 PolarHBondContact SG-OE2 2.96Å; C52-L82 HydrophobicContact CB-CD1 4.48Å; C52-L82 HydrophobicContact CB-CD2 3.89Å; C52-L82 HydrophobicContact CB-CG 3.74Å; C52-T86 HydrophobicContact CB-CG2 4.29Å; C52-T86 WeakPolarHBondContact CB-OG1 3.26Å |
| 53 | H | 84.8 | Confident | 80.4 | Confident | 116 Ų | 116 | 59.8 Ų | 59.8 | 54% | 0.537 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.3 | -41.2 | 174.9 | -73.4 | -57.4 | 0 | 0 | 0 | 112.5 | G50 Q56 Y57 L82 | G50-H53 PolarHBondContact O-N 3.04Å; H53-Q56 PolarHBondContact O-N 2.92Å; H53-Y57 WeakPolarHBondContact O-CB 3.31Å; H53-Y57 PolarHBondContact O-N 2.81Å; H53-L82 WeakPolarHBondContact NE2-CD2 3.49Å |
| 54 | R | 84.4 | Confident | 79.9 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 177.5 | 174.7 | 46.3 | 95.1 | 145.6 | 171.6 | 112 | F36 L45 G50 G51 C52 Y57 L58 | F36-R54 VanDerWaalsContact CZ-NH2 3.34Å; L45-R54 HydrophobicContact CD2-CB 4.4Å; L45-R54 HydrophobicContact CD2-CG 3.79Å; G50-R54 PolarHBondContact O-N 2.74Å; G51-R54 PolarHBondContact O-N 2.74Å; C52-R54 VanDerWaalsContact C-N 3.31Å; C52-R54 PolarHBondContact O-N 2.96Å; R54-Y57 PolarHBondContact O-N 3.36Å; R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.35Å |
| 55 | L | 86.1 | Confident | 79.4 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 172.3 | -170.6 | 51.9 | 0 | 0 | 0 | 111.7 | L43 L45 G51 C52 Y57 L58 C59 L66 L72 L74 T86 V90 | L43-L55 HydrophobicContact CD2-CD1 4.12Å; L45-L55 HydrophobicContact CD1-CB 3.7Å; L45-L55 HydrophobicContact CD1-CD1 4.06Å; L45-L55 HydrophobicContact CD1-CG 4.31Å; G51-L55 PolarHBondContact O-N 3.48Å; C52-L55 PolarHBondContact O-N 3.17Å; C52-L55 VanDerWaalsContact O-N 3.17Å; L55-Y57 VanDerWaalsContact C-N 3.34Å; L55-Y57 PolarHBondContact O-N 2.97Å; L55-L58 PolarHBondContact O-N 3.3Å; L55-C59 PolarHBondContact O-N 3.04Å; L55-C59 PolarHBondContact O-SG 2.87Å; L55-L66 HydrophobicContact CD1-CD2 4.35Å; L55-L72 HydrophobicContact CD1-CD1 4.42Å; L55-L72 HydrophobicContact CD2-CD1 4.44Å; L55-L72 HydrophobicContact CD2-CD2 4.42Å; L55-L74 HydrophobicContact CD2-CD2 3.99Å; L55-T86 HydrophobicContact CB-CG2 3.81Å; L55-T86 HydrophobicContact CD2-CG2 3.79Å; L55-T86 HydrophobicContact CG-CG2 3.9Å; L55-V90 HydrophobicContact CD1-CG2 4.4Å; L55-V90 HydrophobicContact CD2-CG2 3.74Å; L55-V90 HydrophobicContact CG-CG2 3.94Å |
| 56 | Q | 85.9 | Confident | 79.3 | Confident | 38 Ų | 38 | 63.5 Ų | 63.5 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 173.9 | -69 | -169.2 | 16.8 | 0 | 0 | 112.2 | C52 H53 L58 C59 S60 T86 K89 | C52-Q56 WeakPolarHBondContact O-CG 3.36Å; C52-Q56 PolarHBondContact O-N 3.31Å; H53-Q56 PolarHBondContact O-N 2.92Å; Q56-L58 PolarHBondContact O-N 3.43Å; Q56-C59 PolarHBondContact O-N 2.72Å; Q56-S60 PolarHBondContact O-N 3.43Å; Q56-T86 HydrophobicContact CG-CG2 3.97Å; Q56-T86 WeakPolarHBondContact CG-OG1 3.32Å; Q56-T86 PolarHBondContact NE2-OG1 2.89Å; Q56-K89 HydrophobicContact CG-CD 4.19Å; Q56-K89 VanDerWaalsContact OE1-NZ 3.11Å |
| 57 | Y | 84.7 | Confident | 79.3 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 38% | 0.376 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 175.9 | 178.1 | -97.1 | 0 | 0 | 0 | 111.6 | H53 R54 L55 C59 S60 Q61 | H53-Y57 WeakPolarHBondContact O-CB 3.31Å; H53-Y57 PolarHBondContact O-N 2.81Å; R54-Y57 PolarHBondContact O-N 3.36Å; L55-Y57 VanDerWaalsContact C-N 3.34Å; L55-Y57 PolarHBondContact O-N 2.97Å; Y57-C59 VanDerWaalsContact C-N 3.35Å; Y57-C59 PolarHBondContact O-N 3.43Å; Y57-S60 PolarHBondContact O-N 3.06Å; Y57-S60 VanDerWaalsContact O-N 3.12Å; Y57-S60 PolarHBondContact O-OG 3.08Å; Y57-Q61 HydrophobicContact CD1-CG 4.44Å; Y57-Q61 HydrophobicContact CD2-CG 4.11Å; Y57-Q61 HydrophobicContact CE1-CG 4.07Å; Y57-Q61 HydrophobicContact CE2-CG 3.71Å; Y57-Q61 HydrophobicContact CG-CG 4.47Å; Y57-Q61 WeakPolarHBondContact O-CG 3.26Å; Y57-Q61 PolarHBondContact O-N 3.38Å |
| 58 | L | 83.5 | Confident | 79.9 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 177.3 | -71.5 | 168.8 | 0 | 0 | 0 | 112.2 | F36 L43 R54 L55 Q56 S60 Q61 Q62 L66 | F36-L58 HydrophobicContact CB-CD2 4.21Å; F36-L58 HydrophobicContact CD2-CD2 4.35Å; F36-L58 HydrophobicContact CG-CD2 4.4Å; L43-L58 HydrophobicContact CD1-CD1 3.84Å; L43-L58 HydrophobicContact CD2-CD1 4.03Å; R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.35Å; L55-L58 PolarHBondContact O-N 3.3Å; Q56-L58 PolarHBondContact O-N 3.43Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 3.19Å; L58-Q61 PolarHBondContact O-N 3.24Å; L58-Q62 CarbonylContact O-C 3.58Å; L58-Q62 PolarHBondContact O-N 2.78Å; L58-L66 HydrophobicContact CB-CD1 4.3Å; L58-L66 HydrophobicContact CB-CD2 4.21Å; L58-L66 HydrophobicContact CB-CG 4.48Å |
| 59 | C | 85.6 | Confident | 80.9 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -37.2 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | L55 Q56 Y57 L66 | L55-C59 PolarHBondContact O-N 3.04Å; L55-C59 PolarHBondContact O-SG 2.87Å; Q56-C59 PolarHBondContact O-N 2.72Å; Y57-C59 VanDerWaalsContact C-N 3.35Å; Y57-C59 PolarHBondContact O-N 3.43Å; C59-L66 HydrophobicContact CB-CD1 4.22Å; C59-L66 VanDerWaalsContact SG-CD1 3.6Å |
| 60 | S | 84.4 | Confident | 81.9 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -75.8 | -29.6 | 179.6 | 78.4 | 0 | 0 | 0 | 0 | 114.6 | Q56 Y57 L58 | Q56-S60 PolarHBondContact O-N 3.43Å; Y57-S60 PolarHBondContact O-N 3.06Å; Y57-S60 VanDerWaalsContact O-N 3.12Å; Y57-S60 PolarHBondContact O-OG 3.08Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 3.19Å |
| 61 | Q | 78.9 | Confident | 82.6 | Confident | 117 Ų | 117 | 52.9 Ų | 52.9 | 55% | 0.547 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -109.1 | -36.2 | -170.7 | -60 | -51.7 | -67.6 | 0 | 0 | 114.5 | Y57 L58 P63 | Y57-Q61 HydrophobicContact CD1-CG 4.44Å; Y57-Q61 HydrophobicContact CD2-CG 4.11Å; Y57-Q61 HydrophobicContact CE1-CG 4.07Å; Y57-Q61 HydrophobicContact CE2-CG 3.71Å; Y57-Q61 HydrophobicContact CG-CG 4.47Å; Y57-Q61 WeakPolarHBondContact O-CG 3.26Å; Y57-Q61 PolarHBondContact O-N 3.38Å; L58-Q61 PolarHBondContact O-N 3.24Å; Q61-P63 VanDerWaalsContact C-CD 3.5Å |
| 62 | Q | 70.8 | Confident | 83 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | trans | -136.5 | 48.1 | -167.3 | -67.1 | 179.7 | -32.9 | 0 | 0 | 114.2 | L58 P64 Q65 L66 | L58-Q62 CarbonylContact O-C 3.58Å; L58-Q62 PolarHBondContact O-N 2.78Å; Q62-P64 VanDerWaalsContact C-CD 3.43Å; Q62-Q65 HydrophobicContact CB-CB 4.39Å; Q62-Q65 HydrophobicContact CB-CG 4.39Å; Q62-Q65 PolarHBondContact O-N 3.28Å; Q62-L66 PolarHBondContact O-N 2.8Å | ||
| 63 | P | 74.9 | Confident | 83.3 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -51.1 | -39.8 | 179.3 | 17 | -27.6 | 0 | 0 | 0 | 116.2 | Q61 Q65 L66 L67 | Q61-P63 VanDerWaalsContact C-CD 3.5Å; P63-Q65 PolarHBondContact O-N 2.78Å; P63-L66 PolarHBondContact O-N 3.47Å; P63-L67 PolarHBondContact O-N 2.97Å |
| 64 | P | 75.9 | Confident | 83.6 | Confident | 88 Ų | 88 | 51.6 Ų | 51.6 | 57% | 0.571 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -69.3 | -17.5 | 179.6 | 27.8 | -36.5 | 0 | 0 | 0 | 114.3 | Q62 | Q62-P64 VanDerWaalsContact C-CD 3.43Å |
| 65 | Q | 75.3 | Confident | 83.7 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -80.8 | -35.8 | 172.9 | -62.8 | -173.5 | 10.1 | 0 | 0 | 111.3 | L37 Q62 P63 L67 Q68 | L37-Q65 HydrophobicContact CD1-CB 4.41Å; Q62-Q65 HydrophobicContact CB-CB 4.39Å; Q62-Q65 HydrophobicContact CB-CG 4.39Å; Q62-Q65 PolarHBondContact O-N 3.28Å; P63-Q65 PolarHBondContact O-N 2.78Å; Q65-L67 VanDerWaalsContact C-N 3.27Å; Q65-L67 PolarHBondContact O-N 3.39Å; Q65-Q68 PolarHBondContact O-N 3.36Å; Q65-Q68 VanDerWaalsContact O-N 3.08Å |
| 66 | L | 80.6 | Confident | 83.6 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -36.3 | 173.6 | -70.7 | 172.2 | 0 | 0 | 0 | 112.1 | L43 L55 L58 C59 Q62 P63 Q68 V69 L94 | L43-L66 HydrophobicContact CD2-CD2 3.56Å; L55-L66 HydrophobicContact CD1-CD2 4.35Å; L58-L66 HydrophobicContact CB-CD1 4.3Å; L58-L66 HydrophobicContact CB-CD2 4.21Å; L58-L66 HydrophobicContact CB-CG 4.48Å; C59-L66 HydrophobicContact CB-CD1 4.22Å; C59-L66 VanDerWaalsContact SG-CD1 3.6Å; Q62-L66 PolarHBondContact O-N 2.8Å; P63-L66 PolarHBondContact O-N 3.47Å; L66-Q68 PolarHBondContact O-N 2.97Å; L66-V69 HydrophobicContact CD2-CG2 4.41Å; L66-V69 WeakPolarHBondContact O-CB 3.41Å; L66-V69 WeakPolarHBondContact O-CG2 3.36Å; L66-V69 PolarHBondContact O-N 3.32Å; L66-L94 HydrophobicContact CB-CD2 4.33Å |
| 67 | L | 80.6 | Confident | 83.3 | Confident | 66 Ų | 66 | 48.5 Ų | 48.5 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.8 | 174.9 | -64.8 | 176.8 | 0 | 0 | 0 | 114.6 | P63 Q65 S93 L94 R96 | P63-L67 PolarHBondContact O-N 2.97Å; Q65-L67 VanDerWaalsContact C-N 3.27Å; Q65-L67 PolarHBondContact O-N 3.39Å; L67-S93 WeakPolarHBondContact CD2-O 3.36Å; L67-L94 HydrophobicContact CD2-CD2 4.23Å; L67-R96 WeakPolarHBondContact O-CG 3.2Å |
| 68 | Q | 82.6 | Confident | 83 | Confident | 91 Ų | 91 | 45.3 Ų | 45.3 | 43% | 0.425 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -7.2 | 174.3 | -53.3 | -52.5 | -48.6 | 0 | 0 | 113.5 | N41 Q65 L66 E70 | N41-Q68 VanDerWaalsContact CB-O 3.32Å; N41-Q68 WeakPolarHBondContact CB-O 3.49Å; N41-Q68 VanDerWaalsContact CG-O 3.25Å; N41-Q68 PolarHBondContact ND2-O 3.17Å; Q65-Q68 PolarHBondContact O-N 3.36Å; Q65-Q68 VanDerWaalsContact O-N 3.08Å; L66-Q68 PolarHBondContact O-N 2.97Å; Q68-E70 PolarHBondContact O-N 2.94Å |
| 69 | V | 87.3 | Confident | 82.8 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | trans | -68.2 | 122.3 | -176.7 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | L37 N41 L43 L66 F71 L72 R96 L97 | L37-V69 HydrophobicContact CD2-CG2 3.96Å; N41-V69 WeakPolarHBondContact O-CA 3.42Å; L43-V69 HydrophobicContact CB-CG1 3.85Å; L43-V69 HydrophobicContact CB-CG2 4.15Å; L43-V69 HydrophobicContact CD2-CG2 4.17Å; L66-V69 HydrophobicContact CD2-CG2 4.41Å; L66-V69 WeakPolarHBondContact O-CB 3.41Å; L66-V69 WeakPolarHBondContact O-CG2 3.36Å; L66-V69 PolarHBondContact O-N 3.32Å; V69-F71 VanDerWaalsContact CG1-O 3.26Å; V69-F71 WeakPolarHBondContact CG1-O 3.44Å; V69-L72 HydrophobicContact CG1-CB 4.27Å; V69-R96 CarbonylContact O-C 3.49Å; V69-L97 HydrophobicContact CG1-CD1 4.02Å; V69-L97 WeakPolarHBondContact O-CA 3.48Å; V69-L97 PolarHBondContact O-N 3.04Å | ||
| 70 | E | 90.1 | Very high | 82.6 | Confident | 42 Ų | 42 | 51 Ų | 51 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -97.3 | -22.8 | 176.9 | -67.4 | -175.7 | -109.8 | 0 | 0 | 111.7 | N41 Q68 R96 R98 S99 | N41-E70 HydrophobicContact CB-CB 4.17Å; N41-E70 HydrophobicContact CB-CG 4.05Å; N41-E70 PolarHBondContact ND2-OE1 2.98Å; N41-E70 PolarHBondContact O-N 3.29Å; Q68-E70 PolarHBondContact O-N 2.94Å; E70-R96 WeakPolarHBondContact CA-O 3.32Å; E70-R96 HydrophobicContact CG-CB 4.17Å; E70-R96 WeakPolarHBondContact CG-O 3.36Å; E70-R98 HydrophobicContact CB-CG 4.47Å; E70-R98 PolarHBondContact O-N 3.42Å; E70-R98 IonicContact OE2-CZ 3.49Å; E70-R98 IonicContact OE2-NE 2.74Å; E70-R98 PolarHBondContact OE2-NE 3.06Å; E70-R98 IonicContact OE2-NH2 3.32Å; E70-R98 PolarHBondContact OE2-NH2 3.19Å; E70-S99 PolarHBondContact O-N 2.96Å; E70-S99 VanDerWaalsContact O-N 3.1Å |
| 71 | F | 90.9 | Very high | 82.6 | Confident | 71 Ų | 71 | 55 Ų | 55 | 31% | 0.311 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 117 | -179.8 | -57.8 | -100 | 0 | 0 | 0 | 110.1 | N41 Q42 L43 V69 S99 | N41-F71 PolarHBondContact O-N 2.89Å; Q42-F71 HydrophobicContact CB-CB 4.31Å; Q42-F71 HydrophobicContact CG-CB 4.1Å; Q42-F71 HydrophobicContact CG-CD2 3.96Å; Q42-F71 HydrophobicContact CG-CG 4.23Å; L43-F71 PolarHBondContact N-O 3.47Å; V69-F71 VanDerWaalsContact CG1-O 3.26Å; V69-F71 WeakPolarHBondContact CG1-O 3.44Å; F71-S99 WeakPolarHBondContact CA-O 3.47Å |
| 72 | L | 91.8 | Very high | 82.9 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.9 | 175.4 | 175.9 | 57.3 | 0 | 0 | 0 | 109.7 | L43 L55 V69 L97 S99 L100 V101 | L43-L72 HydrophobicContact CB-CD1 4.14Å; L43-L72 HydrophobicContact CD2-CD1 4Å; L43-L72 HydrophobicContact CG-CD1 3.91Å; L55-L72 HydrophobicContact CD1-CD1 4.42Å; L55-L72 HydrophobicContact CD2-CD1 4.44Å; L55-L72 HydrophobicContact CD2-CD2 4.42Å; V69-L72 HydrophobicContact CG1-CB 4.27Å; L72-L97 HydrophobicContact CB-CD1 3.72Å; L72-S99 PolarHBondContact N-O 3.29Å; L72-L100 HydrophobicContact CB-CD1 4.06Å; L72-L100 HydrophobicContact CD2-CD1 3.89Å; L72-L100 HydrophobicContact CG-CD1 3.96Å; L72-L100 WeakPolarHBondContact O-CA 3.43Å; L72-V101 PolarHBondContact O-N 3.26Å |
| 73 | R | 91.2 | Very high | 83.7 | Confident | 90 Ų | 90 | 48.6 Ų | 48.6 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.1 | 172.8 | -53.9 | 177.8 | 49.1 | 141.1 | -8.2 | 109.5 | L43 N44 L45 D46 V101 | L43-R73 PolarHBondContact O-N 3.36Å; N44-R73 VanDerWaalsContact OD1-CD 3.31Å; N44-R73 WeakPolarHBondContact OD1-CD 3.45Å; L45-R73 WeakPolarHBondContact CA-O 3.14Å; L45-R73 WeakPolarHBondContact CB-O 3.47Å; L45-R73 PolarHBondContact N-O 2.9Å; D46-R73 HydrophobicContact CB-CB 4.48Å; D46-R73 PolarHBondContact N-O 3.16Å; D46-R73 IonicContact OD1-NE 3.61Å; D46-R73 IonicContact OD2-CZ 3.18Å; D46-R73 IonicContact OD2-NE 2.78Å; D46-R73 PolarHBondContact OD2-NE 3.22Å; D46-R73 IonicContact OD2-NH2 2.72Å; D46-R73 PolarHBondContact OD2-NH2 3.49Å; R73-V101 WeakPolarHBondContact CA-O 3.12Å; R73-V101 HydrophobicContact CB-CB 4.22Å; R73-V101 HydrophobicContact CG-CB 3.97Å; R73-V101 HydrophobicContact CG-CG2 4.09Å |
| 74 | L | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 137.5 | 177.5 | -177.2 | 69.5 | 0 | 0 | 0 | 108.6 | L45 L55 L83 V101 L102 K103 | L45-L74 HydrophobicContact CB-CD1 4.07Å; L55-L74 HydrophobicContact CD2-CD2 3.99Å; L74-L83 HydrophobicContact CD2-CD1 3.93Å; L74-V101 PolarHBondContact N-O 2.93Å; L74-L102 HydrophobicContact CB-CD2 3.86Å; L74-L102 HydrophobicContact CD2-CD2 4.18Å; L74-L102 WeakPolarHBondContact O-CA 3.4Å; L74-K103 PolarHBondContact O-N 3.08Å; L74-K103 VanDerWaalsContact O-N 3.15Å |
| 75 | S | 86.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.028 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131 | 174.4 | -166 | 0 | 0 | 0 | 0 | 111.3 | H77 K103 | S75-H77 VanDerWaalsContact C-N 3.31Å; S75-H77 WeakPolarHBondContact CB-ND1 3.32Å; S75-H77 PolarHBondContact O-N 3.36Å; S75-H77 PolarHBondContact OG-ND1 2.87Å; S75-K103 WeakPolarHBondContact CA-O 3.41Å; S75-K103 PolarHBondContact OG-O 3.43Å |
| 76 | T | 83.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 15.1 | -174.3 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | L83 L102 K103 G104 G117 T118 L119 N140 | T76-L83 HydrophobicContact CG2-CD1 4.19Å; T76-L83 HydrophobicContact CG2-CD2 3.84Å; T76-L102 VanDerWaalsContact CG2-C 3.45Å; T76-L102 HydrophobicContact CG2-CB 3.9Å; T76-L102 WeakPolarHBondContact CG2-O 3.26Å; T76-K103 PolarHBondContact N-O 3.5Å; T76-G104 PolarHBondContact OG1-N 3.28Å; T76-G104 VanDerWaalsContact OG1-N 3.08Å; T76-G117 CarbonylContact O-C 3.56Å; T76-G117 WeakPolarHBondContact O-CA 3.37Å; T76-G117 WeakPolarHBondContact OG1-CA 3.28Å; T76-T118 PolarHBondContact O-N 3.02Å; T76-T118 PolarHBondContact O-OG1 3.01Å; T76-L119 HydrophobicContact CG2-CB 4.18Å; T76-L119 HydrophobicContact CG2-CD2 4.48Å; T76-N140 VanDerWaalsContact CB-OD1 3.26Å; T76-N140 WeakPolarHBondContact CB-OD1 3.44Å; T76-N140 PolarHBondContact OG1-OD1 2.83Å |
| 77 | H | 81.3 | Confident | 85.5 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 26% | 0.255 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -3.4 | -178.7 | 77.8 | -81.6 | 0 | 0 | 0 | 114.2 | S75 S107 L115 | S75-H77 VanDerWaalsContact C-N 3.31Å; S75-H77 WeakPolarHBondContact CB-ND1 3.32Å; S75-H77 PolarHBondContact O-N 3.36Å; S75-H77 PolarHBondContact OG-ND1 2.87Å; H77-S107 PolarHBondContact CD2-OG 2.91Å; H77-S107 PolarHBondContact CE1-OG 2.95Å; H77-S107 PolarHBondContact ND1-OG 3.3Å; H77-S107 PolarHBondContact NE2-OG 2.87Å; H77-L115 HydrophobicContact CB-CB 4.49Å |
| 78 | E | 77.9 | Confident | 85.7 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -76.6 | 179.1 | 176.9 | -57.7 | -170.6 | 146.1 | 0 | 0 | 111 | G50 G51 C52 T118 | G50-E78 VanDerWaalsContact CA-OE1 3.26Å; G50-E78 WeakPolarHBondContact CA-OE1 3.46Å; G50-E78 PolarHBondContact N-OE1 3.43Å; G51-E78 PolarHBondContact N-OE1 3.37Å; G51-E78 PolarHBondContact N-OE2 3.1Å; C52-E78 WeakPolarHBondContact CB-OE2 3.5Å; C52-E78 PolarHBondContact N-OE2 2.85Å; C52-E78 PolarHBondContact SG-OE2 2.96Å; E78-T118 PolarHBondContact O-OG1 2.88Å |
| 79 | D | 79.4 | Confident | 85.9 | Confident | 94 Ų | 94 | 46.6 Ų | 46.6 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | trans | -53.2 | 129.9 | -178.2 | -171.6 | -56 | 0 | 0 | 0 | 111.2 | Q81 L82 L83 | D79-Q81 VanDerWaalsContact C-N 3.26Å; D79-Q81 PolarHBondContact O-N 3.14Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.49Å; D79-Q81 PolarHBondContact OD1-N 2.85Å; D79-L82 HydrophobicContact CB-CB 3.93Å; D79-L82 PolarHBondContact O-N 2.85Å; D79-L82 VanDerWaalsContact O-N 3.08Å; D79-L83 PolarHBondContact O-N 3.02Å | ||
| 80 | P | 81.7 | Confident | 85.8 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53.1 | -43.2 | 179.9 | -18.7 | 24.9 | 0 | 0 | 0 | 112.8 | L82 L83 D84 T118 | P80-L82 VanDerWaalsContact C-N 3.34Å; P80-L82 PolarHBondContact O-N 2.74Å; P80-L83 PolarHBondContact O-N 2.81Å; P80-D84 PolarHBondContact O-N 3.39Å; P80-T118 HydrophobicContact CB-CG2 4.45Å; P80-T118 HydrophobicContact CG-CG2 3.73Å |
| 81 | Q | 83.8 | Confident | 85.3 | Confident | 157 Ų | 157 | 46.9 Ų | 46.9 | 73% | 0.734 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.3 | -41.7 | -179.4 | -61.6 | -172.2 | -2.9 | 0 | 0 | 110.3 | D79 L83 D84 D85 | D79-Q81 VanDerWaalsContact C-N 3.26Å; D79-Q81 PolarHBondContact O-N 3.14Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.49Å; D79-Q81 PolarHBondContact OD1-N 2.85Å; Q81-L83 PolarHBondContact O-N 3.1Å; Q81-D84 PolarHBondContact O-N 2.85Å; Q81-D85 VanDerWaalsContact O-CB 3.26Å; Q81-D85 WeakPolarHBondContact O-CB 3.47Å; Q81-D85 PolarHBondContact O-N 3.17Å |
| 82 | L | 85.7 | Confident | 84.9 | Confident | 31 Ų | 31 | 44.5 Ų | 44.5 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 177.1 | -178.8 | 65.6 | 0 | 0 | 0 | 112.2 | C52 H53 D79 P80 T86 | C52-L82 HydrophobicContact CB-CD1 4.48Å; C52-L82 HydrophobicContact CB-CD2 3.89Å; C52-L82 HydrophobicContact CB-CG 3.74Å; H53-L82 WeakPolarHBondContact NE2-CD2 3.49Å; D79-L82 HydrophobicContact CB-CB 3.93Å; D79-L82 PolarHBondContact O-N 2.85Å; D79-L82 VanDerWaalsContact O-N 3.08Å; P80-L82 VanDerWaalsContact C-N 3.34Å; P80-L82 PolarHBondContact O-N 2.74Å; L82-T86 WeakPolarHBondContact O-CB 3.22Å; L82-T86 PolarHBondContact O-N 3.32Å; L82-T86 PolarHBondContact O-OG1 3.01Å |
| 83 | L | 86.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -50.8 | 176.9 | 178.5 | 61.9 | 0 | 0 | 0 | 110.7 | L74 T76 D79 P80 Q81 T86 L87 T118 L119 | L74-L83 HydrophobicContact CD2-CD1 3.93Å; T76-L83 HydrophobicContact CG2-CD1 4.19Å; T76-L83 HydrophobicContact CG2-CD2 3.84Å; D79-L83 PolarHBondContact O-N 3.02Å; P80-L83 PolarHBondContact O-N 2.81Å; Q81-L83 PolarHBondContact O-N 3.1Å; L83-T86 WeakPolarHBondContact O-CA 3.43Å; L83-T86 WeakPolarHBondContact O-CB 3.29Å; L83-T86 PolarHBondContact O-N 2.86Å; L83-L87 HydrophobicContact CD1-CD1 4.06Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.08Å; L83-T118 WeakPolarHBondContact CD2-OG1 3.45Å; L83-L119 HydrophobicContact CD2-CB 4.16Å; L83-L119 HydrophobicContact CD2-CD1 3.96Å; L83-L119 HydrophobicContact CG-CD1 4.45Å |
| 84 | D | 85.5 | Confident | 83.6 | Confident | 76 Ų | 76 | 43.5 Ų | 43.5 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62 | -45.9 | 178.8 | -68 | -20.7 | 0 | 0 | 0 | 111.4 | P80 Q81 T86 L87 A88 | P80-D84 PolarHBondContact O-N 3.39Å; Q81-D84 PolarHBondContact O-N 2.85Å; D84-T86 PolarHBondContact O-N 3.37Å; D84-L87 PolarHBondContact O-N 3.26Å; D84-A88 VanDerWaalsContact O-CB 3.3Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 3.37Å |
| 85 | D | 85.3 | Confident | 83 | Confident | 87 Ų | 87 | 48.7 Ų | 48.7 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.9 | -29 | 174 | -120.3 | 31.4 | 0 | 0 | 0 | 112.3 | Q81 K89 | Q81-D85 VanDerWaalsContact O-CB 3.26Å; Q81-D85 WeakPolarHBondContact O-CB 3.47Å; Q81-D85 PolarHBondContact O-N 3.17Å; D85-K89 VanDerWaalsContact CG-NZ 3.3Å; D85-K89 WeakPolarHBondContact O-CB 3.46Å; D85-K89 WeakPolarHBondContact O-CD 3.49Å; D85-K89 WeakPolarHBondContact O-CE 3.36Å; D85-K89 WeakPolarHBondContact O-CG 3.47Å; D85-K89 PolarHBondContact O-N 3.04Å; D85-K89 WeakPolarHBondContact OD2-CE 3.48Å; D85-K89 IonicContact OD2-NZ 2.63Å; D85-K89 PolarHBondContact OD2-NZ 3.15Å |
| 86 | T | 86.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.6 | -49.6 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | C52 L55 Q56 L82 L83 D84 A88 K89 V90 | C52-T86 HydrophobicContact CB-CG2 4.29Å; C52-T86 WeakPolarHBondContact CB-OG1 3.26Å; L55-T86 HydrophobicContact CB-CG2 3.81Å; L55-T86 HydrophobicContact CD2-CG2 3.79Å; L55-T86 HydrophobicContact CG-CG2 3.9Å; Q56-T86 HydrophobicContact CG-CG2 3.97Å; Q56-T86 WeakPolarHBondContact CG-OG1 3.32Å; Q56-T86 PolarHBondContact NE2-OG1 2.89Å; L82-T86 WeakPolarHBondContact O-CB 3.22Å; L82-T86 PolarHBondContact O-N 3.32Å; L82-T86 PolarHBondContact O-OG1 3.01Å; L83-T86 WeakPolarHBondContact O-CA 3.43Å; L83-T86 WeakPolarHBondContact O-CB 3.29Å; L83-T86 PolarHBondContact O-N 2.86Å; D84-T86 PolarHBondContact O-N 3.37Å; T86-A88 PolarHBondContact O-N 2.93Å; T86-K89 PolarHBondContact O-N 2.87Å; T86-V90 WeakPolarHBondContact O-CG2 3.45Å; T86-V90 PolarHBondContact O-N 3.01Å |
| 87 | L | 87 | Confident | 83.3 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -29.5 | 178.3 | -64.2 | 173.7 | 0 | 0 | 0 | 111.8 | L83 D84 W92 L102 L119 P123 | L83-L87 HydrophobicContact CD1-CD1 4.06Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.08Å; D84-L87 PolarHBondContact O-N 3.26Å; L87-W92 HydrophobicContact CB-CZ2 4.26Å; L87-W92 HydrophobicContact CD2-CH2 3.91Å; L87-W92 HydrophobicContact CD2-CZ2 3.71Å; L87-W92 PolarHBondContact O-NE1 3.31Å; L87-L102 HydrophobicContact CD2-CD1 4.04Å; L87-L102 HydrophobicContact CD2-CD2 4.19Å; L87-L119 HydrophobicContact CD1-CD1 3.55Å; L87-P123 HydrophobicContact CB-CG 4.23Å |
| 88 | A | 86.4 | Confident | 83.8 | Confident | 79 Ų | 79 | 58.7 Ų | 58.7 | 65% | 0.653 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -72.6 | -25.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D84 T86 | D84-A88 VanDerWaalsContact O-CB 3.3Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 3.37Å; T86-A88 PolarHBondContact O-N 2.93Å |
| 89 | K | 85.4 | Confident | 84.6 | Confident | 93 Ų | 93 | 58 Ų | 58 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -94.3 | -13.5 | 179.2 | -70.2 | 166.2 | -157.8 | 156 | 0 | 113.8 | Q56 D85 T86 P91 | Q56-K89 HydrophobicContact CG-CD 4.19Å; Q56-K89 VanDerWaalsContact OE1-NZ 3.11Å; D85-K89 VanDerWaalsContact CG-NZ 3.3Å; D85-K89 WeakPolarHBondContact O-CB 3.46Å; D85-K89 WeakPolarHBondContact O-CD 3.49Å; D85-K89 WeakPolarHBondContact O-CE 3.36Å; D85-K89 WeakPolarHBondContact O-CG 3.47Å; D85-K89 PolarHBondContact O-N 3.04Å; D85-K89 WeakPolarHBondContact OD2-CE 3.48Å; D85-K89 IonicContact OD2-NZ 2.63Å; D85-K89 PolarHBondContact OD2-NZ 3.15Å; T86-K89 PolarHBondContact O-N 2.87Å; K89-P91 WeakPolarHBondContact O-CD 3.45Å |
| 90 | V | 84.8 | Confident | 85.4 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -68.1 | 125.3 | 173.7 | 168.2 | 0 | 0 | 0 | 0 | 109.5 | L55 T86 W92 L94 | L55-V90 HydrophobicContact CD1-CG2 4.4Å; L55-V90 HydrophobicContact CD2-CG2 3.74Å; L55-V90 HydrophobicContact CG-CG2 3.94Å; T86-V90 WeakPolarHBondContact O-CG2 3.45Å; T86-V90 PolarHBondContact O-N 3.01Å; V90-W92 HydrophobicContact CB-CD2 4.38Å; V90-W92 HydrophobicContact CB-CH2 4.38Å; V90-W92 HydrophobicContact CB-CZ2 3.8Å; V90-W92 HydrophobicContact CG1-CD2 3.75Å; V90-W92 HydrophobicContact CG1-CE3 3.92Å; V90-W92 HydrophobicContact CG1-CG 4.35Å; V90-W92 HydrophobicContact CG1-CH2 3.94Å; V90-W92 HydrophobicContact CG1-CZ2 3.75Å; V90-W92 HydrophobicContact CG1-CZ3 4.01Å; V90-W92 HydrophobicContact CG2-CZ2 4.39Å; V90-W92 PolarHBondContact O-N 2.99Å; V90-W92 PolarHBondContact O-NE1 2.77Å; V90-L94 HydrophobicContact CG1-CD1 4.2Å |
| 91 | P | 80.8 | Confident | 85.9 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 29% | 0.286 | 26% | 0.262 | S | S | . | . | trans | -76.1 | 95.3 | 173.4 | 30.6 | -32.6 | 0 | 0 | 0 | 109.3 | K89 S93 L94 | K89-P91 WeakPolarHBondContact O-CD 3.45Å; P91-S93 PolarHBondContact O-N 3.43Å; P91-L94 WeakPolarHBondContact O-CD2 3.13Å; P91-L94 VanDerWaalsContact O-CG 3.29Å; P91-L94 WeakPolarHBondContact O-CG 3.36Å | ||
| 92 | W | 81.9 | Confident | 86.3 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 8% | 0.076 | 23% | 0.227 | C | C | . | . | trans | -65.5 | 3.8 | -175.9 | -63 | 103 | 0 | 0 | 0 | 115.9 | L87 V90 L94 L100 P123 G125 L126 L129 | L87-W92 HydrophobicContact CB-CZ2 4.26Å; L87-W92 HydrophobicContact CD2-CH2 3.91Å; L87-W92 HydrophobicContact CD2-CZ2 3.71Å; L87-W92 PolarHBondContact O-NE1 3.31Å; V90-W92 HydrophobicContact CB-CD2 4.38Å; V90-W92 HydrophobicContact CB-CH2 4.38Å; V90-W92 HydrophobicContact CB-CZ2 3.8Å; V90-W92 HydrophobicContact CG1-CD2 3.75Å; V90-W92 HydrophobicContact CG1-CE3 3.92Å; V90-W92 HydrophobicContact CG1-CG 4.35Å; V90-W92 HydrophobicContact CG1-CH2 3.94Å; V90-W92 HydrophobicContact CG1-CZ2 3.75Å; V90-W92 HydrophobicContact CG1-CZ3 4.01Å; V90-W92 HydrophobicContact CG2-CZ2 4.39Å; V90-W92 PolarHBondContact O-N 2.99Å; V90-W92 PolarHBondContact O-NE1 2.77Å; W92-L94 PolarHBondContact O-N 2.81Å; W92-L100 HydrophobicContact CH2-CD2 4.3Å; W92-L100 HydrophobicContact CZ3-CD2 3.9Å; W92-P123 HydrophobicContact CZ2-CG 3.84Å; W92-G125 WeakPolarHBondContact CB-O 3.36Å; W92-L126 HydrophobicContact CD2-CB 4.48Å; W92-L126 HydrophobicContact CE3-CD1 4.24Å; W92-L126 HydrophobicContact CE3-CG 4.15Å; W92-L126 HydrophobicContact CH2-CD1 4.02Å; W92-L126 HydrophobicContact CZ2-CD1 4.39Å; W92-L126 HydrophobicContact CZ3-CD1 3.94Å; W92-L126 HydrophobicContact CZ3-CG 4.27Å; W92-L129 HydrophobicContact CE3-CD1 4.06Å; W92-L129 HydrophobicContact CZ3-CD1 4.42Å; W92-L129 WeakPolarHBondContact O-CD2 3.16Å | ||
| 93 | S | 77.1 | Confident | 86.4 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | trans | -68.1 | 28.9 | 164 | 53.2 | 0 | 0 | 0 | 0 | 114 | L67 P91 L95 | L67-S93 WeakPolarHBondContact CD2-O 3.36Å; P91-S93 PolarHBondContact O-N 3.43Å; S93-L95 PolarHBondContact O-N 3.01Å | ||
| 94 | L | 78.6 | Confident | 86.1 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | trans | -76.4 | 64 | 177.9 | -52 | -175 | 0 | 0 | 0 | 110.5 | L66 L67 V90 P91 W92 R96 L97 L129 | L66-L94 HydrophobicContact CB-CD2 4.33Å; L67-L94 HydrophobicContact CD2-CD2 4.23Å; V90-L94 HydrophobicContact CG1-CD1 4.2Å; P91-L94 WeakPolarHBondContact O-CD2 3.13Å; P91-L94 VanDerWaalsContact O-CG 3.29Å; P91-L94 WeakPolarHBondContact O-CG 3.36Å; W92-L94 PolarHBondContact O-N 2.81Å; L94-R96 PolarHBondContact O-N 2.6Å; L94-L97 HydrophobicContact CB-CB 3.91Å; L94-L97 HydrophobicContact CD1-CD2 4.18Å; L94-L97 WeakPolarHBondContact O-CB 3.09Å; L94-L97 PolarHBondContact O-N 2.63Å; L94-L129 HydrophobicContact CB-CD2 3.91Å | ||
| 95 | L | 78.3 | Confident | 85.5 | Confident | 110 Ų | 110 | 41.4 Ų | 41.4 | 58% | 0.576 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -3.4 | -176.5 | -61.6 | 177.1 | 0 | 0 | 0 | 114.9 | S93 | S93-L95 PolarHBondContact O-N 3.01Š|
| 96 | R | 85.3 | Confident | 84.8 | Confident | 146 Ų | 146 | 40.6 Ų | 40.6 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -13.5 | 171.8 | -66.4 | -56.3 | -170.6 | -170.7 | 0.4 | 113.9 | L67 V69 E70 L94 R98 | L67-R96 WeakPolarHBondContact O-CG 3.2Å; V69-R96 CarbonylContact O-C 3.49Å; E70-R96 WeakPolarHBondContact CA-O 3.32Å; E70-R96 HydrophobicContact CG-CB 4.17Å; E70-R96 WeakPolarHBondContact CG-O 3.36Å; L94-R96 PolarHBondContact O-N 2.6Å; R96-R98 PolarHBondContact O-N 2.87Å; R96-R98 VanDerWaalsContact O-N 3.17Å |
| 97 | L | 90.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -67 | 116.1 | -174.1 | -165 | 70.8 | 0 | 0 | 0 | 110.8 | V69 L72 L94 S99 L100 L129 C131 L132 | V69-L97 HydrophobicContact CG1-CD1 4.02Å; V69-L97 WeakPolarHBondContact O-CA 3.48Å; V69-L97 PolarHBondContact O-N 3.04Å; L72-L97 HydrophobicContact CB-CD1 3.72Å; L94-L97 HydrophobicContact CB-CB 3.91Å; L94-L97 HydrophobicContact CD1-CD2 4.18Å; L94-L97 WeakPolarHBondContact O-CB 3.09Å; L94-L97 PolarHBondContact O-N 2.63Å; L97-S99 WeakPolarHBondContact CD1-O 3.49Å; L97-L100 HydrophobicContact CD2-CB 4.11Å; L97-L100 HydrophobicContact CD2-CD1 4.35Å; L97-L129 HydrophobicContact CB-CD2 4.33Å; L97-L129 HydrophobicContact CD2-CD1 4.06Å; L97-L129 HydrophobicContact CD2-CD2 4.44Å; L97-C131 CarbonylContact O-C 3.52Å; L97-C131 VanDerWaalsContact O-C 3.3Å; L97-L132 HydrophobicContact CB-CD1 4.47Å; L97-L132 HydrophobicContact CD2-CD1 4.02Å; L97-L132 HydrophobicContact CG-CD1 3.91Å; L97-L132 WeakPolarHBondContact O-CA 3.47Å; L97-L132 PolarHBondContact O-N 3.21Å | ||
| 98 | R | 92.4 | Very high | 83.3 | Confident | 122 Ų | 122 | 50.6 Ų | 50.6 | 46% | 0.46 | 25% | 0.253 | S | S | . | . | trans | -99.2 | -29.9 | 177.2 | -58.5 | -179.3 | -174.4 | -84.8 | 1.5 | 112.3 | E70 R96 A133 H134 | E70-R98 HydrophobicContact CB-CG 4.47Å; E70-R98 PolarHBondContact O-N 3.42Å; E70-R98 IonicContact OE2-CZ 3.49Å; E70-R98 IonicContact OE2-NE 2.74Å; E70-R98 PolarHBondContact OE2-NE 3.06Å; E70-R98 IonicContact OE2-NH2 3.32Å; E70-R98 PolarHBondContact OE2-NH2 3.19Å; R96-R98 PolarHBondContact O-N 2.87Å; R96-R98 VanDerWaalsContact O-N 3.17Å; R98-A133 PolarHBondContact O-N 2.79Å; R98-H134 PolarHBondContact O-N 3.18Å | ||
| 99 | S | 94.7 | Very high | 82.5 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 126 | -173.7 | -176 | 0 | 0 | 0 | 0 | 110.7 | E70 F71 L72 L97 H134 | E70-S99 PolarHBondContact O-N 2.96Å; E70-S99 VanDerWaalsContact O-N 3.1Å; F71-S99 WeakPolarHBondContact CA-O 3.47Å; L72-S99 PolarHBondContact N-O 3.29Å; L97-S99 WeakPolarHBondContact CD1-O 3.49Å; S99-H134 WeakPolarHBondContact CA-O 3.48Å; S99-H134 PolarHBondContact OG-CD2 3.49Å |
| 100 | L | 94.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120 | 176.4 | 179.4 | 57.9 | 0 | 0 | 0 | 109.2 | L72 W92 L97 L102 L126 L132 H134 L135 D136 | L72-L100 HydrophobicContact CB-CD1 4.06Å; L72-L100 HydrophobicContact CD2-CD1 3.89Å; L72-L100 HydrophobicContact CG-CD1 3.96Å; L72-L100 WeakPolarHBondContact O-CA 3.43Å; W92-L100 HydrophobicContact CH2-CD2 4.3Å; W92-L100 HydrophobicContact CZ3-CD2 3.9Å; L97-L100 HydrophobicContact CD2-CB 4.11Å; L97-L100 HydrophobicContact CD2-CD1 4.35Å; L100-L102 HydrophobicContact CD1-CD1 4.38Å; L100-L102 HydrophobicContact CD1-CD2 3.88Å; L100-L102 HydrophobicContact CD1-CG 3.91Å; L100-L102 HydrophobicContact CD2-CD1 4.19Å; L100-L102 HydrophobicContact CD2-CG 4.47Å; L100-L102 HydrophobicContact CG-CD1 4.3Å; L100-L102 HydrophobicContact CG-CG 4.02Å; L100-L126 HydrophobicContact CD2-CD1 3.79Å; L100-L126 HydrophobicContact CD2-CD2 4.48Å; L100-L126 HydrophobicContact CD2-CG 4.34Å; L100-L132 HydrophobicContact CB-CD1 3.76Å; L100-L132 HydrophobicContact CB-CD2 4.26Å; L100-H134 PolarHBondContact N-O 2.9Å; L100-L135 HydrophobicContact CB-CD1 4.01Å; L100-L135 HydrophobicContact CD2-CD1 3.97Å; L100-L135 HydrophobicContact CG-CD1 4.01Å; L100-L135 WeakPolarHBondContact O-CA 3.42Å; L100-D136 PolarHBondContact O-N 2.9Å |
| 101 | V | 93.9 | Very high | 81.3 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 108.5 | 178.3 | 180 | 0 | 0 | 0 | 0 | 108 | L72 R73 L74 K103 D136 | L72-V101 PolarHBondContact O-N 3.26Å; R73-V101 WeakPolarHBondContact CA-O 3.12Å; R73-V101 HydrophobicContact CB-CB 4.22Å; R73-V101 HydrophobicContact CG-CB 3.97Å; R73-V101 HydrophobicContact CG-CG2 4.09Å; L74-V101 PolarHBondContact N-O 2.93Å; V101-K103 HydrophobicContact CG1-CB 3.61Å; V101-K103 HydrophobicContact CG1-CD 4.3Å; V101-D136 HydrophobicContact CB-CB 4.42Å; V101-D136 HydrophobicContact CG1-CB 4.15Å; V101-D136 HydrophobicContact CG2-CB 4.15Å |
| 102 | L | 92.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 76.4 | 176.5 | -61 | 179.2 | 0 | 0 | 0 | 107.8 | L74 T76 L87 L100 L119 L122 D136 L137 N140 | L74-L102 HydrophobicContact CB-CD2 3.86Å; L74-L102 HydrophobicContact CD2-CD2 4.18Å; L74-L102 WeakPolarHBondContact O-CA 3.4Å; T76-L102 VanDerWaalsContact CG2-C 3.45Å; T76-L102 HydrophobicContact CG2-CB 3.9Å; T76-L102 WeakPolarHBondContact CG2-O 3.26Å; L87-L102 HydrophobicContact CD2-CD1 4.04Å; L87-L102 HydrophobicContact CD2-CD2 4.19Å; L100-L102 HydrophobicContact CD1-CD1 4.38Å; L100-L102 HydrophobicContact CD1-CD2 3.88Å; L100-L102 HydrophobicContact CD1-CG 3.91Å; L100-L102 HydrophobicContact CD2-CD1 4.19Å; L100-L102 HydrophobicContact CD2-CG 4.47Å; L100-L102 HydrophobicContact CG-CD1 4.3Å; L100-L102 HydrophobicContact CG-CG 4.02Å; L102-L119 HydrophobicContact CB-CD2 4.22Å; L102-L122 HydrophobicContact CD1-CD2 3.61Å; L102-D136 PolarHBondContact N-O 3.48Å; L102-L137 HydrophobicContact CB-CD2 3.95Å; L102-L137 HydrophobicContact CD1-CD2 4.25Å; L102-L137 HydrophobicContact CG-CD2 4.45Å; L102-N140 PolarHBondContact O-ND2 2.88Å |
| 103 | K | 87.2 | Confident | 80.5 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.2 | -158.9 | 178.2 | 142.6 | 176.8 | 163.3 | 0 | 113.9 | L74 S75 T76 V101 D136 | L74-K103 PolarHBondContact O-N 3.08Å; L74-K103 VanDerWaalsContact O-N 3.15Å; S75-K103 WeakPolarHBondContact CA-O 3.41Å; S75-K103 PolarHBondContact OG-O 3.43Å; T76-K103 PolarHBondContact N-O 3.5Å; V101-K103 HydrophobicContact CG1-CB 3.61Å; V101-K103 HydrophobicContact CG1-CD 4.3Å; K103-D136 WeakPolarHBondContact CD-OD2 3.26Å; K103-D136 WeakPolarHBondContact CE-OD2 3.38Å; K103-D136 IonicContact NZ-OD1 2.87Å; K103-D136 PolarHBondContact NZ-OD1 2.97Å; K103-D136 IonicContact NZ-OD2 2.89Å; K103-D136 PolarHBondContact NZ-OD2 2.92Å |
| 104 | G | 79.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | trans | -81.3 | -168.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | T76 Q106 S138 F139 | T76-G104 PolarHBondContact OG1-N 3.28Å; T76-G104 VanDerWaalsContact OG1-N 3.08Å; G104-Q106 PolarHBondContact O-N 3.22Å; G104-S138 PolarHBondContact N-O 3.46Å; G104-F139 WeakPolarHBondContact CA-O 3.35Å | ||
| 105 | G | 72.8 | Confident | 80.4 | Confident | 13 Ų | 13 | 61 Ų | 61 | 13% | 0.134 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 73.7 | -8.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | C114 L115 | G105-C114 WeakPolarHBondContact O-CB 3.38Å; G105-L115 WeakPolarHBondContact CA-O 3.19Å; G105-L115 PolarHBondContact N-O 2.91Å |
| 106 | Q | 70.4 | Confident | 80.6 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -69.5 | -47.3 | 173.2 | -59.9 | -166.3 | 46.3 | 0 | 0 | 111.2 | D46 G104 | D46-Q106 PolarHBondContact OD2-NE2 3.05Å; D46-Q106 PolarHBondContact OD2-OE1 3.49Å; G104-Q106 PolarHBondContact O-N 3.22Å |
| 107 | S | 67.3 | Low | 80.5 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -69.7 | 135.6 | 170.5 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | H77 L115 | H77-S107 PolarHBondContact CD2-OG 2.91Å; H77-S107 PolarHBondContact CE1-OG 2.95Å; H77-S107 PolarHBondContact ND1-OG 3.3Å; H77-S107 PolarHBondContact NE2-OG 2.87Å; S107-L115 WeakPolarHBondContact O-CB 3.39Å; S107-L115 PolarHBondContact O-N 2.87Å |
| 108 | R | 74.4 | Confident | 80.3 | Confident | 180 Ų | 180 | 53.5 Ų | 53.5 | 68% | 0.679 | 31% | 0.305 | S | S | * | . | B | Isolated β-bridge | trans | -106.8 | 139.7 | 174 | -67.5 | 176.7 | 179.1 | -130.5 | 9.6 | 110.4 | G112 A113 | R108-G112 WeakPolarHBondContact CD-O 3.47Å; R108-G112 PolarHBondContact NH1-O 2.93Å; R108-A113 CarbonylContact C-O 3.15Å; R108-A113 WeakPolarHBondContact CA-O 3.39Å |
| 109 | G | 70.1 | Confident | 80.1 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | trans | -73.8 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L111 G112 A113 | G109-L111 PolarHBondContact O-N 2.86Å; G109-G112 PolarHBondContact O-N 2.91Å; G109-A113 PolarHBondContact N-O 2.91Å | ||
| 110 | A | 69.6 | Low | 79.7 | Confident | 118 Ų | 118 | 50.3 Ų | 50.3 | 98% | 0.975 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 111 | L | 75.6 | Confident | 79.4 | Confident | 172 Ų | 172 | 54.2 Ų | 54.2 | 90% | 0.901 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 13.4 | 175.2 | -60 | 175.9 | 0 | 0 | 0 | 113.4 | G109 A113 | G109-L111 PolarHBondContact O-N 2.86Å; L111-A113 PolarHBondContact O-N 2.57Å; L111-A113 VanDerWaalsContact O-N 3.14Å |
| 112 | G | 72.2 | Confident | 79.1 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 76.1 | -8.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | R108 G109 | R108-G112 WeakPolarHBondContact CD-O 3.47Å; R108-G112 PolarHBondContact NH1-O 2.93Å; G109-G112 PolarHBondContact O-N 2.91Å |
| 113 | A | 73.1 | Confident | 78.9 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | trans | -72.1 | 144.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R108 G109 L111 L115 | R108-A113 CarbonylContact C-O 3.15Å; R108-A113 WeakPolarHBondContact CA-O 3.39Å; G109-A113 PolarHBondContact N-O 2.91Å; L111-A113 PolarHBondContact O-N 2.57Å; L111-A113 VanDerWaalsContact O-N 3.14Å; A113-L115 PolarHBondContact O-N 3.49Å | ||
| 114 | C | 76.6 | Confident | 78.6 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 32% | 0.324 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -71.1 | 124.1 | -178.1 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | G105 H116 | G105-C114 WeakPolarHBondContact O-CB 3.38Å; C114-H116 PolarHBondContact O-N 2.7Å; C114-H116 PolarHBondContact O-ND1 3.46Å |
| 115 | L | 78.4 | Confident | 78.7 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | trans | -73.6 | 113.6 | -179.1 | -63.1 | -179.8 | 0 | 0 | 0 | 110.5 | H77 G105 S107 A113 | H77-L115 HydrophobicContact CB-CB 4.49Å; G105-L115 WeakPolarHBondContact CA-O 3.19Å; G105-L115 PolarHBondContact N-O 2.91Å; S107-L115 WeakPolarHBondContact O-CB 3.39Å; S107-L115 PolarHBondContact O-N 2.87Å; A113-L115 PolarHBondContact O-N 3.49Å | ||
| 116 | H | 82.3 | Confident | 79.3 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 37% | 0.366 | 36% | 0.364 | S | S | . | . | trans | -70.6 | 131.5 | 177.9 | -72.7 | 53.4 | 0 | 0 | 0 | 110.7 | C114 R141 | C114-H116 PolarHBondContact O-N 2.7Å; C114-H116 PolarHBondContact O-ND1 3.46Å; H116-R141 PolarHBondContact O-NH2 2.85Å | ||
| 117 | G | 83.5 | Confident | 80 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -61.5 | 164.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T76 F139 R141 | T76-G117 CarbonylContact O-C 3.56Å; T76-G117 WeakPolarHBondContact O-CA 3.37Å; T76-G117 WeakPolarHBondContact OG1-CA 3.28Å; G117-F139 PolarHBondContact N-O 2.8Å; G117-R141 WeakPolarHBondContact O-CG 3.32Å; G117-R141 PolarHBondContact O-NE 2.95Å; G117-R141 PolarHBondContact O-NH2 2.9Å | ||
| 118 | T | 85.9 | Confident | 80.8 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | trans | -95.7 | -10.8 | -172.5 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | T76 E78 P80 L83 T120 | T76-T118 PolarHBondContact O-N 3.02Å; T76-T118 PolarHBondContact O-OG1 3.01Å; E78-T118 PolarHBondContact O-OG1 2.88Å; P80-T118 HydrophobicContact CB-CG2 4.45Å; P80-T118 HydrophobicContact CG-CG2 3.73Å; L83-T118 WeakPolarHBondContact CD2-OG1 3.45Å; T118-T120 PolarHBondContact O-N 2.85Å | ||
| 119 | L | 87.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -60.2 | 125.1 | -174.5 | -165.5 | 77.1 | 0 | 0 | 0 | 112.3 | T76 L83 L87 L102 T121 L122 L137 N140 R141 L142 | T76-L119 HydrophobicContact CG2-CB 4.18Å; T76-L119 HydrophobicContact CG2-CD2 4.48Å; L83-L119 HydrophobicContact CD2-CB 4.16Å; L83-L119 HydrophobicContact CD2-CD1 3.96Å; L83-L119 HydrophobicContact CG-CD1 4.45Å; L87-L119 HydrophobicContact CD1-CD1 3.55Å; L102-L119 HydrophobicContact CB-CD2 4.22Å; L119-T121 VanDerWaalsContact CD1-O 3.27Å; L119-T121 WeakPolarHBondContact CD1-O 3.04Å; L119-T121 WeakPolarHBondContact CG-O 3.46Å; L119-L122 HydrophobicContact CD1-CD2 4.4Å; L119-L122 HydrophobicContact CD2-CD2 4.01Å; L119-L137 HydrophobicContact CD2-CD2 4.14Å; L119-N140 HydrophobicContact CB-CB 4.09Å; L119-N140 WeakPolarHBondContact CB-OD1 3.3Å; L119-R141 CarbonylContact O-C 3.44Å; L119-R141 PolarHBondContact O-N 3.4Å; L119-L142 HydrophobicContact CG-CD2 4.44Å | ||
| 120 | T | 86.9 | Confident | 82 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | trans | -115 | -26.3 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | T118 R141 L142 | T118-T120 PolarHBondContact O-N 2.85Å; T120-R141 HydrophobicContact CG2-CB 4.4Å; T120-L142 VanDerWaalsContact C-CD2 3.44Å; T120-L142 WeakPolarHBondContact O-CD2 3.44Å | ||
| 121 | T | 88.1 | Confident | 83 | Confident | 81 Ų | 81 | 51.2 Ų | 51.2 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | trans | -144.1 | -179.1 | -178.4 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | L119 | L119-T121 VanDerWaalsContact CD1-O 3.27Å; L119-T121 WeakPolarHBondContact CD1-O 3.04Å; L119-T121 WeakPolarHBondContact CG-O 3.46Å | ||
| 122 | L | 88.3 | Confident | 83.8 | Confident | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | trans | -131.2 | 150.7 | 171.6 | -73.9 | 175.9 | 0 | 0 | 0 | 110.2 | L102 L119 L126 L137 P146 V149 | L102-L122 HydrophobicContact CD1-CD2 3.61Å; L119-L122 HydrophobicContact CD1-CD2 4.4Å; L119-L122 HydrophobicContact CD2-CD2 4.01Å; L122-L126 HydrophobicContact CB-CD1 4.33Å; L122-L126 HydrophobicContact CD1-CD1 4.1Å; L122-L126 HydrophobicContact CD1-CD2 4.49Å; L122-L126 HydrophobicContact CD2-CD1 4.01Å; L122-L126 HydrophobicContact CG-CD1 4.38Å; L122-L137 HydrophobicContact CD1-CD1 3.78Å; L122-L137 HydrophobicContact CD1-CD2 4.19Å; L122-L137 HydrophobicContact CD2-CD2 4.32Å; L122-P146 HydrophobicContact CB-CB 3.89Å; L122-P146 HydrophobicContact CB-CG 4.13Å; L122-P146 HydrophobicContact CD1-CB 4.26Å; L122-P146 HydrophobicContact CD1-CG 4.12Å; L122-P146 HydrophobicContact CG-CB 4.22Å; L122-P146 HydrophobicContact CG-CG 3.97Å; L122-V149 HydrophobicContact CD1-CG2 4.1Å | ||
| 123 | P | 86.9 | Confident | 84.9 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | trans | -67.5 | 140.8 | 176.5 | 28.5 | -34.9 | 0 | 0 | 0 | 111.5 | L87 W92 G125 L126 | L87-P123 HydrophobicContact CB-CG 4.23Å; W92-P123 HydrophobicContact CZ2-CG 3.84Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.94Å; P123-L126 WeakPolarHBondContact O-CB 3.13Å; P123-L126 PolarHBondContact O-N 3.06Å; P123-L126 VanDerWaalsContact O-N 3.09Å | ||
| 124 | A | 82.1 | Confident | 86.1 | Confident | 78 Ų | 78 | 42.9 Ų | 42.9 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -61.6 | -30.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L126 S127 | A124-L126 PolarHBondContact O-N 3.42Å; A124-S127 PolarHBondContact O-N 2.86Å; A124-S127 PolarHBondContact O-OG 3.36Å |
| 125 | G | 80.4 | Confident | 87 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -63.8 | -9.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W92 P123 S127 D128 | W92-G125 WeakPolarHBondContact CB-O 3.36Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.94Å; G125-S127 PolarHBondContact O-N 3.19Å; G125-D128 PolarHBondContact O-N 2.77Å |
| 126 | L | 86.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -66.4 | -22.8 | 174.9 | -159.1 | 149.1 | 0 | 0 | 0 | 111.9 | W92 L100 L122 P123 A124 D128 L129 L152 | W92-L126 HydrophobicContact CD2-CB 4.48Å; W92-L126 HydrophobicContact CE3-CD1 4.24Å; W92-L126 HydrophobicContact CE3-CG 4.15Å; W92-L126 HydrophobicContact CH2-CD1 4.02Å; W92-L126 HydrophobicContact CZ2-CD1 4.39Å; W92-L126 HydrophobicContact CZ3-CD1 3.94Å; W92-L126 HydrophobicContact CZ3-CG 4.27Å; L100-L126 HydrophobicContact CD2-CD1 3.79Å; L100-L126 HydrophobicContact CD2-CD2 4.48Å; L100-L126 HydrophobicContact CD2-CG 4.34Å; L122-L126 HydrophobicContact CB-CD1 4.33Å; L122-L126 HydrophobicContact CD1-CD1 4.1Å; L122-L126 HydrophobicContact CD1-CD2 4.49Å; L122-L126 HydrophobicContact CD2-CD1 4.01Å; L122-L126 HydrophobicContact CG-CD1 4.38Å; P123-L126 WeakPolarHBondContact O-CB 3.13Å; P123-L126 PolarHBondContact O-N 3.06Å; P123-L126 VanDerWaalsContact O-N 3.09Å; A124-L126 PolarHBondContact O-N 3.42Å; L126-D128 PolarHBondContact O-N 2.82Å; L126-L129 HydrophobicContact CD2-CD1 4.04Å; L126-L129 HydrophobicContact CG-CD1 3.83Å; L126-L129 WeakPolarHBondContact O-CB 3.2Å; L126-L129 VanDerWaalsContact O-CG 3.28Å; L126-L129 WeakPolarHBondContact O-CG 3.46Å; L126-L129 PolarHBondContact O-N 3.38Å; L126-L152 HydrophobicContact CD2-CD1 4.02Å; L126-L152 HydrophobicContact CD2-CD2 4.33Å; L126-L152 WeakPolarHBondContact O-CD2 3.4Å |
| 127 | S | 84.9 | Confident | 88.5 | Confident | 25 Ų | 25 | 33.9 Ų | 33.9 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -60 | -26.3 | 174.6 | -56.8 | 0 | 0 | 0 | 0 | 114 | A124 G125 L129 C148 E151 | A124-S127 PolarHBondContact O-N 2.86Å; A124-S127 PolarHBondContact O-OG 3.36Å; G125-S127 PolarHBondContact O-N 3.19Å; S127-L129 PolarHBondContact O-N 2.81Å; S127-L129 VanDerWaalsContact O-N 3.15Å; S127-C148 VanDerWaalsContact OG-CA 3.31Å; S127-C148 WeakPolarHBondContact OG-CA 3.17Å; S127-C148 WeakPolarHBondContact OG-CB 3.35Å; S127-E151 VanDerWaalsContact CB-OE2 3.22Å; S127-E151 WeakPolarHBondContact CB-OE2 3.44Å; S127-E151 PolarHBondContact OG-OE2 3.15Å |
| 128 | D | 83.6 | Confident | 89 | Confident | 110 Ų | 110 | 34 Ų | 34 | 59% | 0.588 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -70.5 | -6.6 | -179.1 | -68.7 | -39.6 | 0 | 0 | 0 | 113.5 | G125 L126 A130 | G125-D128 PolarHBondContact O-N 2.77Å; L126-D128 PolarHBondContact O-N 2.82Å; D128-A130 PolarHBondContact O-N 3.42Å |
| 129 | L | 86.7 | Confident | 89.3 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | trans | -76.9 | 62.3 | -176.8 | -63 | 177.4 | 0 | 0 | 0 | 113.5 | W92 L94 L97 L126 S127 C131 L132 L152 | W92-L129 HydrophobicContact CE3-CD1 4.06Å; W92-L129 HydrophobicContact CZ3-CD1 4.42Å; W92-L129 WeakPolarHBondContact O-CD2 3.16Å; L94-L129 HydrophobicContact CB-CD2 3.91Å; L97-L129 HydrophobicContact CB-CD2 4.33Å; L97-L129 HydrophobicContact CD2-CD1 4.06Å; L97-L129 HydrophobicContact CD2-CD2 4.44Å; L126-L129 HydrophobicContact CD2-CD1 4.04Å; L126-L129 HydrophobicContact CG-CD1 3.83Å; L126-L129 WeakPolarHBondContact O-CB 3.2Å; L126-L129 VanDerWaalsContact O-CG 3.28Å; L126-L129 WeakPolarHBondContact O-CG 3.46Å; L126-L129 PolarHBondContact O-N 3.38Å; S127-L129 PolarHBondContact O-N 2.81Å; S127-L129 VanDerWaalsContact O-N 3.15Å; L129-C131 PolarHBondContact O-N 3.3Å; L129-L132 HydrophobicContact CB-CB 3.97Å; L129-L132 HydrophobicContact CD1-CD1 4.5Å; L129-L132 HydrophobicContact CD1-CD2 4.21Å; L129-L132 WeakPolarHBondContact O-CB 3.18Å; L129-L132 PolarHBondContact O-N 3.49Å; L129-L152 HydrophobicContact CB-CD2 4.1Å | ||
| 130 | A | 84.4 | Confident | 89.6 | Confident | 76 Ų | 76 | 35.1 Ų | 35.1 | 63% | 0.628 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -10.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | D128 | D128-A130 PolarHBondContact O-N 3.42Š|
| 131 | C | 89.3 | Confident | 89.9 | Confident | 65 Ų | 65 | 36.9 Ų | 36.9 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 2.2 | 175.9 | -72.9 | 0 | 0 | 0 | 0 | 114.4 | L97 L129 A133 | L97-C131 CarbonylContact O-C 3.52Å; L97-C131 VanDerWaalsContact O-C 3.3Å; L129-C131 PolarHBondContact O-N 3.3Å; C131-A133 PolarHBondContact O-N 2.62Å |
| 132 | L | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -74.3 | 110.8 | -177.8 | -165.3 | 77.9 | 0 | 0 | 0 | 110.8 | L97 L100 L129 L135 L152 G154 L155 | L97-L132 HydrophobicContact CB-CD1 4.47Å; L97-L132 HydrophobicContact CD2-CD1 4.02Å; L97-L132 HydrophobicContact CG-CD1 3.91Å; L97-L132 WeakPolarHBondContact O-CA 3.47Å; L97-L132 PolarHBondContact O-N 3.21Å; L100-L132 HydrophobicContact CB-CD1 3.76Å; L100-L132 HydrophobicContact CB-CD2 4.26Å; L129-L132 HydrophobicContact CB-CB 3.97Å; L129-L132 HydrophobicContact CD1-CD1 4.5Å; L129-L132 HydrophobicContact CD1-CD2 4.21Å; L129-L132 WeakPolarHBondContact O-CB 3.18Å; L129-L132 PolarHBondContact O-N 3.49Å; L132-L135 HydrophobicContact CD2-CB 4.22Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L132-L152 HydrophobicContact CD2-CD1 4.04Å; L132-L152 HydrophobicContact CD2-CD2 4.42Å; L132-G154 CarbonylContact O-C 3.38Å; L132-G154 VanDerWaalsContact O-C 3.29Å; L132-L155 HydrophobicContact CD2-CD1 4.47Å; L132-L155 WeakPolarHBondContact O-CA 3.39Å; L132-L155 PolarHBondContact O-N 3.25Å | ||
| 133 | A | 95.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 28% | 0.281 | 23% | 0.23 | S | C | . | . | trans | -96.2 | -27.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R98 C131 D156 A157 | R98-A133 PolarHBondContact O-N 2.79Å; C131-A133 PolarHBondContact O-N 2.62Å; A133-D156 HydrophobicContact CB-CB 4.28Å; A133-D156 WeakPolarHBondContact O-CA 3.45Å; A133-D156 WeakPolarHBondContact O-CB 3.37Å; A133-D156 PolarHBondContact O-N 2.74Å; A133-A157 PolarHBondContact O-N 2.91Å | ||
| 134 | H | 96.9 | Very high | 90.8 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 126.7 | -175.7 | -176.4 | 92.4 | 0 | 0 | 0 | 111.8 | R98 S99 L100 A157 L159 | R98-H134 PolarHBondContact O-N 3.18Å; S99-H134 WeakPolarHBondContact CA-O 3.48Å; S99-H134 PolarHBondContact OG-CD2 3.49Å; L100-H134 PolarHBondContact N-O 2.9Å; H134-A157 WeakPolarHBondContact CA-O 3.08Å; H134-L159 WeakPolarHBondContact CE1-CD1 3.18Å |
| 135 | L | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 114 | 177.7 | -177.6 | 58.2 | 0 | 0 | 0 | 110.4 | L100 L132 L137 V149 L152 L155 A157 L158 L159 | L100-L135 HydrophobicContact CB-CD1 4.01Å; L100-L135 HydrophobicContact CD2-CD1 3.97Å; L100-L135 HydrophobicContact CG-CD1 4.01Å; L100-L135 WeakPolarHBondContact O-CA 3.42Å; L132-L135 HydrophobicContact CD2-CB 4.22Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L135-L137 HydrophobicContact CD1-CD2 3.8Å; L135-L137 HydrophobicContact CD1-CG 4.14Å; L135-L137 HydrophobicContact CD2-CD1 4.27Å; L135-L137 HydrophobicContact CG-CD1 4.34Å; L135-L137 HydrophobicContact CG-CD2 4.27Å; L135-L137 HydrophobicContact CG-CG 4.04Å; L135-V149 HydrophobicContact CD2-CG1 4.16Å; L135-V149 HydrophobicContact CD2-CG2 4Å; L135-L152 HydrophobicContact CD2-CD1 3.79Å; L135-L155 HydrophobicContact CB-CD1 3.68Å; L135-L155 HydrophobicContact CB-CD2 4.43Å; L135-A157 PolarHBondContact N-O 3.27Å; L135-L158 HydrophobicContact CB-CD1 4.2Å; L135-L158 HydrophobicContact CD2-CD1 4.08Å; L135-L158 HydrophobicContact CG-CD1 4.17Å; L135-L159 PolarHBondContact O-N 2.73Å |
| 136 | D | 96.1 | Very high | 91.9 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 110.6 | 175.3 | -174 | -0.4 | 0 | 0 | 0 | 111 | L100 V101 L102 K103 S138 L159 | L100-D136 PolarHBondContact O-N 2.9Å; V101-D136 HydrophobicContact CB-CB 4.42Å; V101-D136 HydrophobicContact CG1-CB 4.15Å; V101-D136 HydrophobicContact CG2-CB 4.15Å; L102-D136 PolarHBondContact N-O 3.48Å; K103-D136 WeakPolarHBondContact CD-OD2 3.26Å; K103-D136 WeakPolarHBondContact CE-OD2 3.38Å; K103-D136 IonicContact NZ-OD1 2.87Å; K103-D136 PolarHBondContact NZ-OD1 2.97Å; K103-D136 IonicContact NZ-OD2 2.89Å; K103-D136 PolarHBondContact NZ-OD2 2.92Å; D136-S138 WeakPolarHBondContact OD1-CB 3.16Å; D136-S138 PolarHBondContact OD1-N 2.88Å; D136-S138 PolarHBondContact OD1-OG 2.83Å; D136-L159 HydrophobicContact CB-CB 4.06Å; D136-L159 HydrophobicContact CB-CD1 4.34Å |
| 137 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -113.5 | 22.5 | 176.4 | -50.9 | 176.1 | 0 | 0 | 0 | 111.2 | L102 L119 L122 L135 N140 L142 L159 L160 N163 | L102-L137 HydrophobicContact CB-CD2 3.95Å; L102-L137 HydrophobicContact CD1-CD2 4.25Å; L102-L137 HydrophobicContact CG-CD2 4.45Å; L119-L137 HydrophobicContact CD2-CD2 4.14Å; L122-L137 HydrophobicContact CD1-CD1 3.78Å; L122-L137 HydrophobicContact CD1-CD2 4.19Å; L122-L137 HydrophobicContact CD2-CD2 4.32Å; L135-L137 HydrophobicContact CD1-CD2 3.8Å; L135-L137 HydrophobicContact CD1-CG 4.14Å; L135-L137 HydrophobicContact CD2-CD1 4.27Å; L135-L137 HydrophobicContact CG-CD1 4.34Å; L135-L137 HydrophobicContact CG-CD2 4.27Å; L135-L137 HydrophobicContact CG-CG 4.04Å; L137-N140 VanDerWaalsContact C-ND2 3.27Å; L137-N140 PolarHBondContact O-ND2 2.81Å; L137-L142 HydrophobicContact CB-CD1 3.9Å; L137-L142 HydrophobicContact CD1-CD1 3.86Å; L137-L159 PolarHBondContact N-O 3.43Å; L137-L160 HydrophobicContact CB-CD2 4.22Å; L137-L160 HydrophobicContact CD1-CD2 4.05Å; L137-N163 PolarHBondContact O-ND2 3.35Å | ||
| 138 | S | 94.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | trans | -67.4 | 156.7 | -176.7 | -49 | 0 | 0 | 0 | 0 | 113 | G104 D136 N140 S161 | G104-S138 PolarHBondContact N-O 3.46Å; D136-S138 WeakPolarHBondContact OD1-CB 3.16Å; D136-S138 PolarHBondContact OD1-N 2.88Å; D136-S138 PolarHBondContact OD1-OG 2.83Å; S138-N140 PolarHBondContact O-ND2 2.76Å; S138-S161 CarbonylContact C-O 3.3Å; S138-S161 WeakPolarHBondContact CA-O 3.35Å; S138-S161 WeakPolarHBondContact CB-O 3.49Å; S138-S161 PolarHBondContact OG-N 3.1Å | ||
| 139 | F | 92.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 36 Ų | 36 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 59.1 | 45.5 | 179.6 | -64.6 | -93.6 | 0 | 0 | 0 | 113.4 | G104 G117 S161 H162 | G104-F139 WeakPolarHBondContact CA-O 3.35Å; G117-F139 PolarHBondContact N-O 2.8Å; F139-S161 PolarHBondContact N-O 2.89Å; F139-H162 CarbonylContact C-O 3.29Å; F139-H162 WeakPolarHBondContact CA-O 3.27Å; F139-H162 HydrophobicContact CD1-CB 3.73Å; F139-H162 AromaticContact CD1-CG 3.89Å; F139-H162 HydrophobicContact CD2-CB 4.32Å; F139-H162 HydrophobicContact CE1-CB 3.93Å; F139-H162 AromaticContact CE1-CD2 3.55Å; F139-H162 AromaticContact CE1-CG 3.54Å; F139-H162 AromaticContact CE1-ND1 3.9Å; F139-H162 AromaticContact CE1-NE2 3.93Å; F139-H162 HydrophobicContact CE2-CB 4.5Å; F139-H162 AromaticContact CE2-CD2 3.47Å; F139-H162 VanDerWaalsContact CE2-CD2 3.47Å; F139-H162 WeakPolarHBondContact CE2-CD2 3.42Å; F139-H162 HydrophobicContact CG-CB 3.94Å; F139-H162 HydrophobicContact CZ-CB 4.32Å; F139-H162 AromaticContact CZ-CD2 3.16Å; F139-H162 WeakPolarHBondContact CZ-CD2 3.18Å; F139-H162 AromaticContact CZ-CG 3.68Å; F139-H162 AromaticContact CZ-NE2 3.46Å; F139-H162 WeakPolarHBondContact CZ-NE2 3.13Å; F139-H162 PolarHBondContact N-O 2.87Å |
| 140 | N | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -121.6 | -159.5 | 177.8 | -75.8 | -58.5 | 0 | 0 | 0 | 110.9 | T76 L102 L119 L137 S138 L142 H162 N163 | T76-N140 VanDerWaalsContact CB-OD1 3.26Å; T76-N140 WeakPolarHBondContact CB-OD1 3.44Å; T76-N140 PolarHBondContact OG1-OD1 2.83Å; L102-N140 PolarHBondContact O-ND2 2.88Å; L119-N140 HydrophobicContact CB-CB 4.09Å; L119-N140 WeakPolarHBondContact CB-OD1 3.3Å; L137-N140 VanDerWaalsContact C-ND2 3.27Å; L137-N140 PolarHBondContact O-ND2 2.81Å; S138-N140 PolarHBondContact O-ND2 2.76Å; N140-L142 HydrophobicContact CB-CG 4.44Å; N140-H162 PolarHBondContact N-O 2.96Å; N140-N163 WeakPolarHBondContact CA-OD1 3.43Å; N140-N163 WeakPolarHBondContact CB-OD1 3.26Å; N140-N163 PolarHBondContact N-OD1 2.59Å; N140-N163 PolarHBondContact O-OD1 3.49Å |
| 141 | R | 92.8 | Very high | 93.3 | Very high | 108 Ų | 108 | 38 Ų | 38 | 41% | 0.408 | 20% | 0.202 | S | C | . | . | trans | -127.2 | 35.4 | -178.9 | -62.3 | 171 | -146.2 | -178.5 | 6.1 | 111.1 | H116 G117 L119 T120 E143 N163 | H116-R141 PolarHBondContact O-NH2 2.85Å; G117-R141 WeakPolarHBondContact O-CG 3.32Å; G117-R141 PolarHBondContact O-NE 2.95Å; G117-R141 PolarHBondContact O-NH2 2.9Å; L119-R141 CarbonylContact O-C 3.44Å; L119-R141 PolarHBondContact O-N 3.4Å; T120-R141 HydrophobicContact CG2-CB 4.4Å; R141-E143 PolarHBondContact O-N 3.35Å; R141-N163 PolarHBondContact N-OD1 3.09Å | ||
| 142 | L | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -66.7 | 117.2 | 174.8 | -56.3 | 179.7 | 0 | 0 | 0 | 109.3 | L119 T120 L137 N140 P146 L160 N163 H164 L165 | L119-L142 HydrophobicContact CG-CD2 4.44Å; T120-L142 VanDerWaalsContact C-CD2 3.44Å; T120-L142 WeakPolarHBondContact O-CD2 3.44Å; L137-L142 HydrophobicContact CB-CD1 3.9Å; L137-L142 HydrophobicContact CD1-CD1 3.86Å; N140-L142 HydrophobicContact CB-CG 4.44Å; L142-P146 HydrophobicContact CD2-CG 4.33Å; L142-L160 HydrophobicContact CD1-CD2 4.23Å; L142-N163 HydrophobicContact CB-CB 4.27Å; L142-N163 WeakPolarHBondContact CB-OD1 3.38Å; L142-N163 WeakPolarHBondContact CG-OD1 3.19Å; L142-N163 PolarHBondContact N-OD1 3.24Å; L142-H164 CarbonylContact O-C 3.17Å; L142-H164 VanDerWaalsContact O-CA 3.32Å; L142-H164 WeakPolarHBondContact O-CA 3.42Å; L142-H164 PolarHBondContact O-N 3.14Å; L142-L165 HydrophobicContact CB-CD2 3.88Å; L142-L165 HydrophobicContact CB-CG 4.45Å; L142-L165 PolarHBondContact O-N 3.32Å; L142-L165 VanDerWaalsContact O-N 3.1Å | ||
| 143 | E | 94.5 | Very high | 93.3 | Very high | 126 Ų | 126 | 40.8 Ų | 40.8 | 59% | 0.589 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -90.1 | -26.9 | 172.9 | -61.4 | -169.8 | 158.4 | 0 | 0 | 111.9 | R141 H164 L165 S166 | R141-E143 PolarHBondContact O-N 3.35Å; E143-H164 HydrophobicContact CG-CB 4.2Å; E143-L165 WeakPolarHBondContact O-CA 3.32Å; E143-S166 PolarHBondContact O-N 2.93Å |
| 144 | T | 94 | Very high | 93.1 | Very high | 82 Ų | 82 | 40.7 Ų | 40.7 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -134.4 | 159.6 | 171.2 | 58.1 | 0 | 0 | 0 | 0 | 110 | L165 | T144-L165 WeakPolarHBondContact O-CD2 3.34Š|
| 145 | L | 93.9 | Very high | 93 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | trans | -75.4 | 127.1 | 174.8 | -171.7 | 68.7 | 0 | 0 | 0 | 109.7 | V149 L160 P169 L172 | L145-V149 HydrophobicContact CD1-CB 4.21Å; L145-V149 HydrophobicContact CD1-CG1 4.2Å; L145-V149 HydrophobicContact CD1-CG2 4.21Å; L145-V149 HydrophobicContact CD2-CB 4.18Å; L145-V149 HydrophobicContact CD2-CG1 4.16Å; L145-V149 HydrophobicContact CG-CB 4.07Å; L145-V149 HydrophobicContact CG-CG1 4.37Å; L145-V149 HydrophobicContact CG-CG2 4.4Å; L145-L160 HydrophobicContact CD1-CD1 3.69Å; L145-L160 HydrophobicContact CD1-CD2 3.65Å; L145-L160 HydrophobicContact CD1-CG 4.33Å; L145-P169 HydrophobicContact CB-CG 4.04Å; L145-P169 HydrophobicContact CD2-CG 3.86Å; L145-P169 HydrophobicContact CG-CG 4.48Å; L145-L172 HydrophobicContact CD2-CD1 3.99Å | ||
| 146 | P | 91.7 | Very high | 93 | Very high | 12 Ų | 12 | 41 Ų | 41 | 8% | 0.078 | 21% | 0.214 | C | C | . | . | trans | -59.1 | 139.6 | 179.3 | -25.7 | 35.7 | 0 | 0 | 0 | 112.5 | L122 L142 C148 V149 | L122-P146 HydrophobicContact CB-CB 3.89Å; L122-P146 HydrophobicContact CB-CG 4.13Å; L122-P146 HydrophobicContact CD1-CB 4.26Å; L122-P146 HydrophobicContact CD1-CG 4.12Å; L122-P146 HydrophobicContact CG-CB 4.22Å; L122-P146 HydrophobicContact CG-CG 3.97Å; L142-P146 HydrophobicContact CD2-CG 4.33Å; P146-C148 PolarHBondContact O-N 2.86Å; P146-C148 VanDerWaalsContact O-N 3.1Å; P146-V149 HydrophobicContact CB-CG2 4.32Å; P146-V149 PolarHBondContact O-N 2.71Å | ||
| 147 | T | 89.7 | Confident | 93.1 | Very high | 121 Ų | 121 | 40.8 Ų | 40.8 | 74% | 0.742 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.9 | -171 | 55 | 0 | 0 | 0 | 0 | 114.5 | V149 P150 | T147-V149 VanDerWaalsContact C-N 3.35Å; T147-P150 WeakPolarHBondContact O-CD 3.29Å |
| 148 | C | 90.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -23 | 173.5 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | S127 P146 E151 | S127-C148 VanDerWaalsContact OG-CA 3.31Å; S127-C148 WeakPolarHBondContact OG-CA 3.17Å; S127-C148 WeakPolarHBondContact OG-CB 3.35Å; P146-C148 PolarHBondContact O-N 2.86Å; P146-C148 VanDerWaalsContact O-N 3.1Å; C148-E151 WeakPolarHBondContact O-CB 3.44Å; C148-E151 PolarHBondContact O-N 2.91Å; C148-E151 VanDerWaalsContact O-N 3.12Å |
| 149 | V | 92.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -66.4 | -42.3 | -174.3 | -178.1 | 0 | 0 | 0 | 0 | 112.9 | L122 L135 L145 P146 T147 E151 L152 L155 L158 | L122-V149 HydrophobicContact CD1-CG2 4.1Å; L135-V149 HydrophobicContact CD2-CG1 4.16Å; L135-V149 HydrophobicContact CD2-CG2 4Å; L145-V149 HydrophobicContact CD1-CB 4.21Å; L145-V149 HydrophobicContact CD1-CG1 4.2Å; L145-V149 HydrophobicContact CD1-CG2 4.21Å; L145-V149 HydrophobicContact CD2-CB 4.18Å; L145-V149 HydrophobicContact CD2-CG1 4.16Å; L145-V149 HydrophobicContact CG-CB 4.07Å; L145-V149 HydrophobicContact CG-CG1 4.37Å; L145-V149 HydrophobicContact CG-CG2 4.4Å; P146-V149 HydrophobicContact CB-CG2 4.32Å; P146-V149 PolarHBondContact O-N 2.71Å; T147-V149 VanDerWaalsContact C-N 3.35Å; V149-E151 PolarHBondContact O-N 3.39Å; V149-L152 WeakPolarHBondContact O-CB 3.36Å; V149-L152 PolarHBondContact O-N 3.11Å; V149-L155 HydrophobicContact CG1-CD2 4.32Å; V149-L158 HydrophobicContact CG1-CD1 4.01Å; V149-L158 HydrophobicContact CG1-CD2 3.76Å |
| 150 | P | 91.7 | Very high | 93.5 | Very high | 14 Ų | 14 | 40 Ų | 40 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -62.9 | -17.4 | 171.4 | -26.5 | 37.1 | 0 | 0 | 0 | 115.9 | T147 P169 A171 L175 | T147-P150 WeakPolarHBondContact O-CD 3.29Å; P150-P169 HydrophobicContact CG-CG 4.27Å; P150-A171 HydrophobicContact CB-CB 3.63Å; P150-A171 HydrophobicContact CG-CB 3.95Å; P150-L175 WeakPolarHBondContact O-CD2 3.47Å |
| 151 | E | 91.2 | Very high | 93.6 | Very high | 108 Ų | 108 | 40.7 Ų | 40.7 | 51% | 0.505 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -85.3 | -12.8 | -179.9 | -57.8 | -179.3 | 147.6 | 0 | 0 | 112 | S127 C148 V149 H153 | S127-E151 VanDerWaalsContact CB-OE2 3.22Å; S127-E151 WeakPolarHBondContact CB-OE2 3.44Å; S127-E151 PolarHBondContact OG-OE2 3.15Å; C148-E151 WeakPolarHBondContact O-CB 3.44Å; C148-E151 PolarHBondContact O-N 2.91Å; C148-E151 VanDerWaalsContact O-N 3.12Å; V149-E151 PolarHBondContact O-N 3.39Å; E151-H153 VanDerWaalsContact C-N 3.26Å; E151-H153 PolarHBondContact O-N 3.28Å |
| 152 | L | 91.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | -75.8 | 67.9 | 178.6 | -63.5 | 170.5 | 0 | 0 | 0 | 112.2 | L126 L129 L132 L135 V149 G154 L155 L175 | L126-L152 HydrophobicContact CD2-CD1 4.02Å; L126-L152 HydrophobicContact CD2-CD2 4.33Å; L126-L152 WeakPolarHBondContact O-CD2 3.4Å; L129-L152 HydrophobicContact CB-CD2 4.1Å; L132-L152 HydrophobicContact CD2-CD1 4.04Å; L132-L152 HydrophobicContact CD2-CD2 4.42Å; L135-L152 HydrophobicContact CD2-CD1 3.79Å; V149-L152 WeakPolarHBondContact O-CB 3.36Å; V149-L152 PolarHBondContact O-N 3.11Å; L152-G154 PolarHBondContact O-N 3.34Å; L152-L155 HydrophobicContact CB-CB 4.14Å; L152-L155 WeakPolarHBondContact O-CB 3.41Å; L152-L155 PolarHBondContact O-N 3.27Å; L152-L175 WeakPolarHBondContact O-CD2 3.49Å | ||
| 153 | H | 89.9 | Confident | 93.9 | Very high | 121 Ų | 121 | 38 Ų | 38 | 56% | 0.56 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -18.4 | -174.8 | -57.6 | -37.8 | 0 | 0 | 0 | 115.5 | E151 P176 | E151-H153 VanDerWaalsContact C-N 3.26Å; E151-H153 PolarHBondContact O-N 3.28Å; H153-P176 HydrophobicContact CB-CG 4.45Å; H153-P176 WeakPolarHBondContact O-CD 3.45Å; H153-P176 WeakPolarHBondContact O-CG 3.47Å |
| 154 | G | 91.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 32% | 0.32 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L132 L152 D156 | L132-G154 CarbonylContact O-C 3.38Å; L132-G154 VanDerWaalsContact O-C 3.29Å; L152-G154 PolarHBondContact O-N 3.34Å; G154-D156 PolarHBondContact O-N 3.01Å |
| 155 | L | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -73.4 | 120.7 | -169.4 | -164.6 | 70.4 | 0 | 0 | 0 | 112.6 | L132 L135 V149 L152 L158 L175 A177 L178 | L132-L155 HydrophobicContact CD2-CD1 4.47Å; L132-L155 WeakPolarHBondContact O-CA 3.39Å; L132-L155 PolarHBondContact O-N 3.25Å; L135-L155 HydrophobicContact CB-CD1 3.68Å; L135-L155 HydrophobicContact CB-CD2 4.43Å; V149-L155 HydrophobicContact CG1-CD2 4.32Å; L152-L155 HydrophobicContact CB-CB 4.14Å; L152-L155 WeakPolarHBondContact O-CB 3.41Å; L152-L155 PolarHBondContact O-N 3.27Å; L155-L158 HydrophobicContact CD2-CB 3.9Å; L155-L158 HydrophobicContact CD2-CD1 4.19Å; L155-L158 HydrophobicContact CD2-CD2 4.23Å; L155-L158 HydrophobicContact CD2-CG 4.33Å; L155-L175 HydrophobicContact CD2-CD1 4.19Å; L155-A177 CarbonylContact O-C 3.19Å; L155-A177 VanDerWaalsContact O-C 3.3Å; L155-L178 HydrophobicContact CD2-CD1 4.23Å; L155-L178 HydrophobicContact CG-CD1 4.12Å; L155-L178 VanDerWaalsContact O-CA 3.24Å; L155-L178 WeakPolarHBondContact O-CA 3.24Å; L155-L178 PolarHBondContact O-N 3.41Å; L155-L178 VanDerWaalsContact O-N 3.13Å | ||
| 156 | D | 96.5 | Very high | 94.1 | Very high | 65 Ų | 65 | 33.4 Ų | 33.4 | 35% | 0.348 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -97.5 | -38.3 | 179 | 168.4 | 58.9 | 0 | 0 | 0 | 111.7 | A133 G154 L178 T179 F180 | A133-D156 HydrophobicContact CB-CB 4.28Å; A133-D156 WeakPolarHBondContact O-CA 3.45Å; A133-D156 WeakPolarHBondContact O-CB 3.37Å; A133-D156 PolarHBondContact O-N 2.74Å; G154-D156 PolarHBondContact O-N 3.01Å; D156-L178 CarbonylContact O-C 3.56Å; D156-T179 PolarHBondContact O-N 3.34Å; D156-T179 PolarHBondContact O-OG1 3.45Å; D156-T179 WeakPolarHBondContact OD1-CB 3.45Å; D156-T179 WeakPolarHBondContact OD1-CG2 3.33Å; D156-T179 PolarHBondContact OD1-OG1 3.4Å; D156-F180 PolarHBondContact O-N 3.37Å |
| 157 | A | 97.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 122.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A133 H134 L135 L159 F180 | A133-A157 PolarHBondContact O-N 2.91Å; H134-A157 WeakPolarHBondContact CA-O 3.08Å; L135-A157 PolarHBondContact N-O 3.27Å; A157-L159 HydrophobicContact CB-CD1 4.35Å; A157-F180 WeakPolarHBondContact CA-O 3.31Å; A157-F180 HydrophobicContact CB-CB 4Å; A157-F180 HydrophobicContact CB-CD1 4.34Å |
| 158 | L | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.9 | 177.8 | 179.7 | 54.5 | 0 | 0 | 0 | 110.8 | L135 V149 L155 L160 L172 L178 F180 L181 T182 | L135-L158 HydrophobicContact CB-CD1 4.2Å; L135-L158 HydrophobicContact CD2-CD1 4.08Å; L135-L158 HydrophobicContact CG-CD1 4.17Å; V149-L158 HydrophobicContact CG1-CD1 4.01Å; V149-L158 HydrophobicContact CG1-CD2 3.76Å; L155-L158 HydrophobicContact CD2-CB 3.9Å; L155-L158 HydrophobicContact CD2-CD1 4.19Å; L155-L158 HydrophobicContact CD2-CD2 4.23Å; L155-L158 HydrophobicContact CD2-CG 4.33Å; L158-L160 HydrophobicContact CD1-CD1 4.43Å; L158-L160 HydrophobicContact CD1-CD2 3.99Å; L158-L160 HydrophobicContact CD1-CG 4.04Å; L158-L160 HydrophobicContact CD2-CD1 4.06Å; L158-L160 HydrophobicContact CG-CD1 4.03Å; L158-L160 HydrophobicContact CG-CD2 4.46Å; L158-L160 HydrophobicContact CG-CG 4Å; L158-L172 HydrophobicContact CD2-CD1 3.83Å; L158-L178 HydrophobicContact CB-CD1 3.83Å; L158-F180 PolarHBondContact N-O 2.77Å; L158-L181 HydrophobicContact CB-CD1 4Å; L158-L181 HydrophobicContact CD2-CD1 3.98Å; L158-L181 HydrophobicContact CG-CD1 3.96Å; L158-L181 WeakPolarHBondContact O-CA 3.42Å; L158-T182 PolarHBondContact O-N 3.06Å; L158-T182 VanDerWaalsContact O-N 3.11Å |
| 159 | L | 97.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.3 | -179.4 | -58.8 | 80.3 | 0 | 0 | 0 | 110.1 | H134 L135 D136 L137 A157 F180 T182 | H134-L159 WeakPolarHBondContact CE1-CD1 3.18Å; L135-L159 PolarHBondContact O-N 2.73Å; D136-L159 HydrophobicContact CB-CB 4.06Å; D136-L159 HydrophobicContact CB-CD1 4.34Å; L137-L159 PolarHBondContact N-O 3.43Å; A157-L159 HydrophobicContact CB-CD1 4.35Å; L159-F180 HydrophobicContact CD1-CD1 4.32Å; L159-F180 HydrophobicContact CD1-CE1 4.38Å; L159-F180 HydrophobicContact CD2-CE1 4.31Å; L159-F180 HydrophobicContact CG-CD1 4.38Å; L159-F180 HydrophobicContact CG-CE1 4Å; L159-T182 HydrophobicContact CB-CG2 3.83Å; L159-T182 HydrophobicContact CD2-CG2 4.23Å; L159-T182 HydrophobicContact CG-CG2 3.72Å |
| 160 | L | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -125.7 | 12.7 | -174.6 | -62.8 | 170.3 | 0 | 0 | 0 | 112 | L137 L142 L145 L158 N163 L165 L168 L181 T182 V183 N186 | L137-L160 HydrophobicContact CB-CD2 4.22Å; L137-L160 HydrophobicContact CD1-CD2 4.05Å; L142-L160 HydrophobicContact CD1-CD2 4.23Å; L145-L160 HydrophobicContact CD1-CD1 3.69Å; L145-L160 HydrophobicContact CD1-CD2 3.65Å; L145-L160 HydrophobicContact CD1-CG 4.33Å; L158-L160 HydrophobicContact CD1-CD1 4.43Å; L158-L160 HydrophobicContact CD1-CD2 3.99Å; L158-L160 HydrophobicContact CD1-CG 4.04Å; L158-L160 HydrophobicContact CD2-CD1 4.06Å; L158-L160 HydrophobicContact CG-CD1 4.03Å; L158-L160 HydrophobicContact CG-CD2 4.46Å; L158-L160 HydrophobicContact CG-CG 4Å; L160-N163 PolarHBondContact O-ND2 3.05Å; L160-L165 HydrophobicContact CB-CD1 3.97Å; L160-L165 HydrophobicContact CD1-CD1 4.04Å; L160-L165 HydrophobicContact CG-CD1 4.41Å; L160-L168 HydrophobicContact CD1-CD2 4.43Å; L160-L181 HydrophobicContact CD1-CD1 4.42Å; L160-T182 PolarHBondContact N-O 2.8Å; L160-V183 HydrophobicContact CB-CG1 4.02Å; L160-V183 HydrophobicContact CD1-CG1 4.36Å; L160-V183 HydrophobicContact CD1-CG2 4.19Å; L160-N186 PolarHBondContact O-ND2 2.89Å | ||
| 161 | S | 95.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | trans | -65.4 | 147 | -168.9 | -32.3 | 0 | 0 | 0 | 0 | 112.5 | S138 F139 T182 T184 | S138-S161 CarbonylContact C-O 3.3Å; S138-S161 WeakPolarHBondContact CA-O 3.35Å; S138-S161 WeakPolarHBondContact CB-O 3.49Å; S138-S161 PolarHBondContact OG-N 3.1Å; F139-S161 PolarHBondContact N-O 2.89Å; S161-T182 WeakPolarHBondContact OG-CG2 3.49Å; S161-T182 PolarHBondContact OG-OG1 3.38Å; S161-T184 CarbonylContact C-O 3.45Å; S161-T184 WeakPolarHBondContact CA-O 3.49Å | ||
| 162 | H | 95.1 | Very high | 95.2 | Very high | 48 Ų | 48 | 37 Ų | 37 | 22% | 0.222 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 56 | 63.6 | -176 | -53.7 | -90.5 | 0 | 0 | 0 | 112.4 | F139 N140 T184 H185 | F139-H162 CarbonylContact C-O 3.29Å; F139-H162 WeakPolarHBondContact CA-O 3.27Å; F139-H162 HydrophobicContact CD1-CB 3.73Å; F139-H162 AromaticContact CD1-CG 3.89Å; F139-H162 HydrophobicContact CD2-CB 4.32Å; F139-H162 HydrophobicContact CE1-CB 3.93Å; F139-H162 AromaticContact CE1-CD2 3.55Å; F139-H162 AromaticContact CE1-CG 3.54Å; F139-H162 AromaticContact CE1-ND1 3.9Å; F139-H162 AromaticContact CE1-NE2 3.93Å; F139-H162 HydrophobicContact CE2-CB 4.5Å; F139-H162 AromaticContact CE2-CD2 3.47Å; F139-H162 VanDerWaalsContact CE2-CD2 3.47Å; F139-H162 WeakPolarHBondContact CE2-CD2 3.42Å; F139-H162 HydrophobicContact CG-CB 3.94Å; F139-H162 HydrophobicContact CZ-CB 4.32Å; F139-H162 AromaticContact CZ-CD2 3.16Å; F139-H162 WeakPolarHBondContact CZ-CD2 3.18Å; F139-H162 AromaticContact CZ-CG 3.68Å; F139-H162 AromaticContact CZ-NE2 3.46Å; F139-H162 WeakPolarHBondContact CZ-NE2 3.13Å; F139-H162 PolarHBondContact N-O 2.87Å; N140-H162 PolarHBondContact N-O 2.96Å; H162-T184 PolarHBondContact N-O 2.82Å; H162-H185 VanDerWaalsContact CA-O 3.26Å; H162-H185 WeakPolarHBondContact CA-O 3.38Å; H162-H185 HydrophobicContact CB-CB 4.4Å; H162-H185 AromaticContact CE1-CD2 3.42Å; H162-H185 PolarHBondContact CE1-CD2 3.2Å; H162-H185 VanDerWaalsContact CE1-CD2 3.42Å; H162-H185 AromaticContact CE1-CE1 3.69Å; H162-H185 AromaticContact CE1-CG 3.34Å; H162-H185 AromaticContact CE1-ND1 3.51Å; H162-H185 AromaticContact CE1-NE2 3.63Å; H162-H185 PolarHBondContact N-O 2.86Å; H162-H185 WeakPolarHBondContact ND1-CB 3.45Å; H162-H185 AromaticContact ND1-CD2 3.3Å; H162-H185 PolarHBondContact ND1-CD2 2.88Å; H162-H185 VanDerWaalsContact ND1-CD2 3.3Å; H162-H185 AromaticContact ND1-CG 3.39Å; H162-H185 AromaticContact ND1-NE2 3.91Å |
| 163 | N | 95.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -129.7 | -162 | 172.4 | -88.1 | -74.4 | 0 | 0 | 0 | 109.3 | L137 N140 R141 L142 L160 L165 H185 N186 | L137-N163 PolarHBondContact O-ND2 3.35Å; N140-N163 WeakPolarHBondContact CA-OD1 3.43Å; N140-N163 WeakPolarHBondContact CB-OD1 3.26Å; N140-N163 PolarHBondContact N-OD1 2.59Å; N140-N163 PolarHBondContact O-OD1 3.49Å; R141-N163 PolarHBondContact N-OD1 3.09Å; L142-N163 HydrophobicContact CB-CB 4.27Å; L142-N163 WeakPolarHBondContact CB-OD1 3.38Å; L142-N163 WeakPolarHBondContact CG-OD1 3.19Å; L142-N163 PolarHBondContact N-OD1 3.24Å; L160-N163 PolarHBondContact O-ND2 3.05Å; N163-L165 HydrophobicContact CB-CG 4.22Å; N163-H185 PolarHBondContact N-O 3.27Å; N163-N186 VanDerWaalsContact CA-OD1 3.31Å; N163-N186 WeakPolarHBondContact CA-OD1 3.24Å; N163-N186 WeakPolarHBondContact CB-OD1 3.46Å; N163-N186 PolarHBondContact N-OD1 3.33Å; N163-N186 PolarHBondContact O-OD1 2.77Å |
| 164 | H | 95.7 | Very high | 95.3 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | trans | -121.9 | 19.6 | -178.9 | -69 | -5 | 0 | 0 | 0 | 112.6 | L142 E143 S166 N186 R187 | L142-H164 CarbonylContact O-C 3.17Å; L142-H164 VanDerWaalsContact O-CA 3.32Å; L142-H164 WeakPolarHBondContact O-CA 3.42Å; L142-H164 PolarHBondContact O-N 3.14Å; E143-H164 HydrophobicContact CG-CB 4.2Å; H164-S166 PolarHBondContact O-N 3.03Å; H164-N186 PolarHBondContact N-OD1 3.1Å; H164-R187 PolarHBondContact CD2-NH2 3.07Å; H164-R187 PolarHBondContact CE1-NH2 2.89Å; H164-R187 PolarHBondContact ND1-NH2 2.81Å; H164-R187 PolarHBondContact NE2-NH2 3.25Å | ||
| 165 | L | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -60 | 121.2 | -173.3 | -61.9 | 170.8 | 0 | 0 | 0 | 111.2 | L142 E143 T144 L160 N163 L168 V183 N186 R187 L188 | L142-L165 HydrophobicContact CB-CD2 3.88Å; L142-L165 HydrophobicContact CB-CG 4.45Å; L142-L165 PolarHBondContact O-N 3.32Å; L142-L165 VanDerWaalsContact O-N 3.1Å; E143-L165 WeakPolarHBondContact O-CA 3.32Å; T144-L165 WeakPolarHBondContact O-CD2 3.34Å; L160-L165 HydrophobicContact CB-CD1 3.97Å; L160-L165 HydrophobicContact CD1-CD1 4.04Å; L160-L165 HydrophobicContact CG-CD1 4.41Å; N163-L165 HydrophobicContact CB-CG 4.22Å; L165-L168 HydrophobicContact CD1-CD2 4.5Å; L165-V183 HydrophobicContact CD1-CG1 3.68Å; L165-N186 HydrophobicContact CB-CB 4.31Å; L165-N186 WeakPolarHBondContact CB-OD1 3.42Å; L165-N186 WeakPolarHBondContact CG-OD1 3.19Å; L165-N186 PolarHBondContact N-OD1 2.98Å; L165-R187 CarbonylContact O-C 3.37Å; L165-R187 VanDerWaalsContact O-CA 3.27Å; L165-R187 WeakPolarHBondContact O-CA 3.49Å; L165-R187 WeakPolarHBondContact O-CB 3.36Å; L165-R187 PolarHBondContact O-N 2.89Å; L165-L188 HydrophobicContact CB-CD2 4.16Å; L165-L188 PolarHBondContact O-N 2.94Å | ||
| 166 | S | 95.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 37 Ų | 37 | 43% | 0.434 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -88.2 | -28.6 | 175.4 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | E143 H164 L188 | E143-S166 PolarHBondContact O-N 2.93Å; H164-S166 PolarHBondContact O-N 3.03Å; S166-L188 WeakPolarHBondContact O-CA 3.39Å |
| 167 | E | 95.1 | Very high | 95.1 | Very high | 102 Ų | 102 | 35.6 Ų | 35.6 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | trans | -147.3 | 166.1 | 177.1 | 61.4 | 177.2 | -155.1 | 0 | 0 | 112.4 | ||||
| 168 | L | 96.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | trans | -112.9 | 133.3 | 169.2 | -64.3 | 174.2 | 0 | 0 | 0 | 108.7 | L160 L165 L172 V183 L188 L191 P192 | L160-L168 HydrophobicContact CD1-CD2 4.43Å; L165-L168 HydrophobicContact CD1-CD2 4.5Å; L168-L172 HydrophobicContact CB-CD2 4.11Å; L168-L172 HydrophobicContact CD1-CD2 4.03Å; L168-L172 HydrophobicContact CD2-CD2 4.16Å; L168-L172 HydrophobicContact CG-CD2 4.33Å; L168-V183 HydrophobicContact CD1-CG2 4.24Å; L168-V183 HydrophobicContact CD2-CG1 4.28Å; L168-V183 HydrophobicContact CD2-CG2 4.41Å; L168-L188 HydrophobicContact CD1-CD1 4.01Å; L168-L188 HydrophobicContact CD2-CD2 4.42Å; L168-L188 HydrophobicContact CG-CD1 4.1Å; L168-L188 HydrophobicContact CG-CD2 3.97Å; L168-L191 HydrophobicContact CD1-CD2 4.38Å; L168-P192 HydrophobicContact CB-CG 4.12Å; L168-P192 WeakPolarHBondContact O-CG 3.39Å | ||
| 169 | P | 95.4 | Very high | 95.1 | Very high | 42 Ų | 42 | 36.7 Ų | 36.7 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | trans | -70.6 | 146.1 | -176.6 | 29.5 | -35.4 | 0 | 0 | 0 | 111.3 | L145 P150 A171 L172 | L145-P169 HydrophobicContact CB-CG 4.04Å; L145-P169 HydrophobicContact CD2-CG 3.86Å; L145-P169 HydrophobicContact CG-CG 4.48Å; P150-P169 HydrophobicContact CG-CG 4.27Å; P169-A171 PolarHBondContact O-N 2.91Å; P169-A171 VanDerWaalsContact O-N 3.13Å; P169-L172 HydrophobicContact CG-CB 4.45Å; P169-L172 WeakPolarHBondContact O-CB 3.38Å; P169-L172 PolarHBondContact O-N 3Å | ||
| 170 | E | 94.6 | Very high | 95.2 | Very high | 129 Ų | 129 | 38.1 Ų | 38.1 | 60% | 0.603 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -58.3 | -30.9 | -180 | -63.6 | -165.8 | 149.6 | 0 | 0 | 113.1 | L172 G173 P192 T194 | E170-L172 PolarHBondContact O-N 3.23Å; E170-G173 PolarHBondContact O-N 3.38Å; E170-G173 VanDerWaalsContact O-N 3.15Å; E170-P192 HydrophobicContact CG-CB 4.02Å; E170-T194 VanDerWaalsContact CA-OG1 3.31Å; E170-T194 WeakPolarHBondContact CA-OG1 3.41Å; E170-T194 HydrophobicContact CB-CG2 4.07Å; E170-T194 WeakPolarHBondContact O-CB 3.42Å; E170-T194 PolarHBondContact O-OG1 3.13Å |
| 171 | A | 94.1 | Very high | 95.2 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 44% | 0.438 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -60.2 | -23.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P150 P169 G173 A174 | P150-A171 HydrophobicContact CB-CB 3.63Å; P150-A171 HydrophobicContact CG-CB 3.95Å; P169-A171 PolarHBondContact O-N 2.91Å; P169-A171 VanDerWaalsContact O-N 3.13Å; A171-G173 PolarHBondContact O-N 3.02Å; A171-A174 WeakPolarHBondContact O-CB 3.44Å; A171-A174 PolarHBondContact O-N 3.31Å |
| 172 | L | 94.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -57.7 | -33 | 175.7 | -177.1 | 65.3 | 0 | 0 | 0 | 111.9 | L145 L158 L168 P169 E170 A174 L175 L181 L195 | L145-L172 HydrophobicContact CD2-CD1 3.99Å; L158-L172 HydrophobicContact CD2-CD1 3.83Å; L168-L172 HydrophobicContact CB-CD2 4.11Å; L168-L172 HydrophobicContact CD1-CD2 4.03Å; L168-L172 HydrophobicContact CD2-CD2 4.16Å; L168-L172 HydrophobicContact CG-CD2 4.33Å; P169-L172 HydrophobicContact CG-CB 4.45Å; P169-L172 WeakPolarHBondContact O-CB 3.38Å; P169-L172 PolarHBondContact O-N 3Å; E170-L172 PolarHBondContact O-N 3.23Å; L172-A174 PolarHBondContact O-N 3.25Å; L172-A174 VanDerWaalsContact O-N 3.15Å; L172-L175 HydrophobicContact CD1-CD1 3.74Å; L172-L175 PolarHBondContact O-N 3.03Å; L172-L181 HydrophobicContact CD2-CD2 4.15Å; L172-L195 HydrophobicContact CD2-CD1 4.3Å |
| 173 | G | 91.7 | Very high | 95.4 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -67.8 | -5.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E170 A171 T194 S197 | E170-G173 PolarHBondContact O-N 3.38Å; E170-G173 VanDerWaalsContact O-N 3.15Å; A171-G173 PolarHBondContact O-N 3.02Å; G173-T194 VanDerWaalsContact CA-O 3.28Å; G173-T194 WeakPolarHBondContact CA-O 3.45Å; G173-S197 WeakPolarHBondContact O-CB 3.46Å |
| 174 | A | 91.6 | Very high | 95.5 | Very high | 66 Ų | 66 | 36.3 Ų | 36.3 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -93.1 | -4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | A171 L172 P176 | A171-A174 WeakPolarHBondContact O-CB 3.44Å; A171-A174 PolarHBondContact O-N 3.31Å; L172-A174 PolarHBondContact O-N 3.25Å; L172-A174 VanDerWaalsContact O-N 3.15Å; A174-P176 VanDerWaalsContact O-CD 3.29Å; A174-P176 WeakPolarHBondContact O-CD 3.46Å |
| 175 | L | 93.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | trans | -69.9 | 113.4 | 178 | -68.2 | -178.3 | 0 | 0 | 0 | 110.9 | P150 L152 L155 L172 L178 L198 | P150-L175 WeakPolarHBondContact O-CD2 3.47Å; L152-L175 WeakPolarHBondContact O-CD2 3.49Å; L155-L175 HydrophobicContact CD2-CD1 4.19Å; L172-L175 HydrophobicContact CD1-CD1 3.74Å; L172-L175 PolarHBondContact O-N 3.03Å; L175-L178 HydrophobicContact CB-CB 4.15Å; L175-L178 HydrophobicContact CD1-CD1 4.42Å; L175-L178 HydrophobicContact CD1-CD2 4.26Å; L175-L198 HydrophobicContact CB-CD2 4.18Å; L175-L198 VanDerWaalsContact O-CD2 3.22Å; L175-L198 WeakPolarHBondContact O-CD2 3.11Å | ||
| 176 | P | 91.5 | Very high | 95.6 | Very high | 78 Ų | 78 | 37.8 Ų | 37.8 | 51% | 0.506 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -80.3 | -24.7 | -170.2 | 32.5 | -35.8 | 0 | 0 | 0 | 113.4 | H153 A174 T200 | H153-P176 HydrophobicContact CB-CG 4.45Å; H153-P176 WeakPolarHBondContact O-CD 3.45Å; H153-P176 WeakPolarHBondContact O-CG 3.47Å; A174-P176 VanDerWaalsContact O-CD 3.29Å; A174-P176 WeakPolarHBondContact O-CD 3.46Å; P176-T200 WeakPolarHBondContact O-CG2 3.32Å; P176-T200 PolarHBondContact O-OG1 3.26Å |
| 177 | A | 95.1 | Very high | 95.7 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 30% | 0.298 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -98.3 | -9.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L155 T179 | L155-A177 CarbonylContact O-C 3.19Å; L155-A177 VanDerWaalsContact O-C 3.3Å; A177-T179 PolarHBondContact O-N 3.39Å; A177-T179 VanDerWaalsContact O-N 3.1Å |
| 178 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -69.2 | 107.8 | -165.1 | -165 | 76.3 | 0 | 0 | 0 | 112.4 | L155 D156 L158 L175 L181 L198 T200 L201 | L155-L178 HydrophobicContact CD2-CD1 4.23Å; L155-L178 HydrophobicContact CG-CD1 4.12Å; L155-L178 VanDerWaalsContact O-CA 3.24Å; L155-L178 WeakPolarHBondContact O-CA 3.24Å; L155-L178 PolarHBondContact O-N 3.41Å; L155-L178 VanDerWaalsContact O-N 3.13Å; D156-L178 CarbonylContact O-C 3.56Å; L158-L178 HydrophobicContact CB-CD1 3.83Å; L175-L178 HydrophobicContact CB-CB 4.15Å; L175-L178 HydrophobicContact CD1-CD1 4.42Å; L175-L178 HydrophobicContact CD1-CD2 4.26Å; L178-L181 HydrophobicContact CD2-CB 4.13Å; L178-L181 HydrophobicContact CD2-CD2 4.38Å; L178-L198 HydrophobicContact CD2-CD1 4.18Å; L178-T200 CarbonylContact O-C 3.52Å; L178-L201 HydrophobicContact CD2-CD1 4.21Å; L178-L201 HydrophobicContact CG-CD1 4.18Å; L178-L201 VanDerWaalsContact O-CA 3.22Å; L178-L201 WeakPolarHBondContact O-CA 3.07Å; L178-L201 WeakPolarHBondContact O-CD1 3.33Å; L178-L201 PolarHBondContact O-N 2.72Å | ||
| 179 | T | 97.9 | Very high | 95.8 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | trans | -95.2 | -25.1 | 175.1 | 72 | 0 | 0 | 0 | 0 | 113.4 | D156 A177 Q202 R203 | D156-T179 PolarHBondContact O-N 3.34Å; D156-T179 PolarHBondContact O-OG1 3.45Å; D156-T179 WeakPolarHBondContact OD1-CB 3.45Å; D156-T179 WeakPolarHBondContact OD1-CG2 3.33Å; D156-T179 PolarHBondContact OD1-OG1 3.4Å; A177-T179 PolarHBondContact O-N 3.39Å; A177-T179 VanDerWaalsContact O-N 3.1Å; T179-Q202 HydrophobicContact CG2-CG 4.41Å; T179-Q202 PolarHBondContact O-N 2.87Å; T179-R203 PolarHBondContact O-N 2.9Å | ||
| 180 | F | 98.3 | Very high | 95.8 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 25% | 0.254 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.4 | -176 | -171.7 | -95.4 | 0 | 0 | 0 | 112.5 | D156 A157 L158 L159 T182 R203 | D156-F180 PolarHBondContact O-N 3.37Å; A157-F180 WeakPolarHBondContact CA-O 3.31Å; A157-F180 HydrophobicContact CB-CB 4Å; A157-F180 HydrophobicContact CB-CD1 4.34Å; L158-F180 PolarHBondContact N-O 2.77Å; L159-F180 HydrophobicContact CD1-CD1 4.32Å; L159-F180 HydrophobicContact CD1-CE1 4.38Å; L159-F180 HydrophobicContact CD2-CE1 4.31Å; L159-F180 HydrophobicContact CG-CD1 4.38Å; L159-F180 HydrophobicContact CG-CE1 4Å; F180-T182 HydrophobicContact CE1-CG2 3.63Å; F180-T182 HydrophobicContact CZ-CG2 4.2Å; F180-R203 HydrophobicContact CD2-CB 3.64Å; F180-R203 HydrophobicContact CD2-CG 4.04Å; F180-R203 HydrophobicContact CE2-CB 3.94Å; F180-R203 HydrophobicContact CE2-CG 4.34Å |
| 181 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 124.1 | 173 | 179.5 | 57.9 | 0 | 0 | 0 | 110.7 | L158 L160 L172 L178 V183 L195 L201 R203 L204 D205 | L158-L181 HydrophobicContact CB-CD1 4Å; L158-L181 HydrophobicContact CD2-CD1 3.98Å; L158-L181 HydrophobicContact CG-CD1 3.96Å; L158-L181 WeakPolarHBondContact O-CA 3.42Å; L160-L181 HydrophobicContact CD1-CD1 4.42Å; L172-L181 HydrophobicContact CD2-CD2 4.15Å; L178-L181 HydrophobicContact CD2-CB 4.13Å; L178-L181 HydrophobicContact CD2-CD2 4.38Å; L181-V183 HydrophobicContact CD1-CG2 3.85Å; L181-V183 HydrophobicContact CG-CG2 4.02Å; L181-L195 HydrophobicContact CD2-CD1 4.05Å; L181-L201 HydrophobicContact CB-CD1 3.96Å; L181-R203 PolarHBondContact N-O 2.91Å; L181-R203 VanDerWaalsContact N-O 3.11Å; L181-L204 HydrophobicContact CB-CD1 4.02Å; L181-L204 HydrophobicContact CD2-CD1 3.84Å; L181-L204 HydrophobicContact CG-CD1 3.95Å; L181-L204 WeakPolarHBondContact O-CA 3.23Å; L181-D205 PolarHBondContact O-N 2.9Å |
| 182 | T | 98 | Very high | 96 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128 | 167.9 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | L158 L159 L160 S161 F180 T184 D205 | L158-T182 PolarHBondContact O-N 3.06Å; L158-T182 VanDerWaalsContact O-N 3.11Å; L159-T182 HydrophobicContact CB-CG2 3.83Å; L159-T182 HydrophobicContact CD2-CG2 4.23Å; L159-T182 HydrophobicContact CG-CG2 3.72Å; L160-T182 PolarHBondContact N-O 2.8Å; S161-T182 WeakPolarHBondContact OG-CG2 3.49Å; S161-T182 PolarHBondContact OG-OG1 3.38Å; F180-T182 HydrophobicContact CE1-CG2 3.63Å; F180-T182 HydrophobicContact CZ-CG2 4.2Å; T182-T184 PolarHBondContact OG1-OG1 3.08Å; T182-D205 WeakPolarHBondContact CA-O 3.48Å |
| 183 | V | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -128.5 | 26 | 175.6 | -153.3 | 0 | 0 | 0 | 0 | 110 | L160 L165 L168 L181 N186 L188 D205 L206 N209 | L160-V183 HydrophobicContact CB-CG1 4.02Å; L160-V183 HydrophobicContact CD1-CG1 4.36Å; L160-V183 HydrophobicContact CD1-CG2 4.19Å; L165-V183 HydrophobicContact CD1-CG1 3.68Å; L168-V183 HydrophobicContact CD1-CG2 4.24Å; L168-V183 HydrophobicContact CD2-CG1 4.28Å; L168-V183 HydrophobicContact CD2-CG2 4.41Å; L181-V183 HydrophobicContact CD1-CG2 3.85Å; L181-V183 HydrophobicContact CG-CG2 4.02Å; V183-N186 HydrophobicContact CG1-CB 4.25Å; V183-N186 WeakPolarHBondContact O-CB 3.41Å; V183-N186 PolarHBondContact O-ND2 2.81Å; V183-L188 HydrophobicContact CB-CD1 4.13Å; V183-L188 HydrophobicContact CG1-CD1 3.87Å; V183-D205 PolarHBondContact N-O 3.28Å; V183-L206 HydrophobicContact CB-CD2 3.97Å; V183-L206 HydrophobicContact CG2-CD2 3.89Å; V183-N209 PolarHBondContact O-ND2 2.83Å | ||
| 184 | T | 97.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | trans | -53.8 | 147 | 180 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | S161 H162 T182 N186 D205 S207 | S161-T184 CarbonylContact C-O 3.45Å; S161-T184 WeakPolarHBondContact CA-O 3.49Å; H162-T184 PolarHBondContact N-O 2.82Å; T182-T184 PolarHBondContact OG1-OG1 3.08Å; T184-N186 PolarHBondContact O-ND2 3.28Å; T184-D205 PolarHBondContact OG1-OD1 2.96Å; T184-S207 VanDerWaalsContact CA-O 3.25Å; T184-S207 WeakPolarHBondContact CA-O 3.31Å; T184-S207 WeakPolarHBondContact CG2-OG 3.26Å | ||
| 185 | H | 96.8 | Very high | 96.5 | Very high | 78 Ų | 78 | 41.5 Ų | 41.5 | 36% | 0.361 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 56.9 | 62.1 | 179.3 | -94.9 | 82.8 | 0 | 0 | 0 | 111.9 | H162 N163 S207 E208 | H162-H185 VanDerWaalsContact CA-O 3.26Å; H162-H185 WeakPolarHBondContact CA-O 3.38Å; H162-H185 HydrophobicContact CB-CB 4.4Å; H162-H185 AromaticContact CE1-CD2 3.42Å; H162-H185 PolarHBondContact CE1-CD2 3.2Å; H162-H185 VanDerWaalsContact CE1-CD2 3.42Å; H162-H185 AromaticContact CE1-CE1 3.69Å; H162-H185 AromaticContact CE1-CG 3.34Å; H162-H185 AromaticContact CE1-ND1 3.51Å; H162-H185 AromaticContact CE1-NE2 3.63Å; H162-H185 PolarHBondContact N-O 2.86Å; H162-H185 WeakPolarHBondContact ND1-CB 3.45Å; H162-H185 AromaticContact ND1-CD2 3.3Å; H162-H185 PolarHBondContact ND1-CD2 2.88Å; H162-H185 VanDerWaalsContact ND1-CD2 3.3Å; H162-H185 AromaticContact ND1-CG 3.39Å; H162-H185 AromaticContact ND1-NE2 3.91Å; N163-H185 PolarHBondContact N-O 3.27Å; H185-S207 PolarHBondContact N-O 3.19Å; H185-S207 VanDerWaalsContact N-O 3.15Å; H185-E208 WeakPolarHBondContact CA-O 3.43Å; H185-E208 IonicContact CE1-OE1 3.03Å; H185-E208 PolarHBondContact CE1-OE1 2.98Å; H185-E208 IonicContact CE1-OE2 3.14Å; H185-E208 PolarHBondContact CE1-OE2 2.9Å; H185-E208 PolarHBondContact N-O 3.46Å; H185-E208 IonicContact ND1-OE1 2.81Å; H185-E208 PolarHBondContact ND1-OE1 2.62Å; H185-E208 IonicContact ND1-OE2 3.65Å |
| 186 | N | 97.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.064 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -135.9 | -166.3 | 175.7 | -86.9 | -81.4 | 0 | 0 | 0 | 110.3 | L160 N163 H164 L165 V183 T184 L188 E208 N209 | L160-N186 PolarHBondContact O-ND2 2.89Å; N163-N186 VanDerWaalsContact CA-OD1 3.31Å; N163-N186 WeakPolarHBondContact CA-OD1 3.24Å; N163-N186 WeakPolarHBondContact CB-OD1 3.46Å; N163-N186 PolarHBondContact N-OD1 3.33Å; N163-N186 PolarHBondContact O-OD1 2.77Å; H164-N186 PolarHBondContact N-OD1 3.1Å; L165-N186 HydrophobicContact CB-CB 4.31Å; L165-N186 WeakPolarHBondContact CB-OD1 3.42Å; L165-N186 WeakPolarHBondContact CG-OD1 3.19Å; L165-N186 PolarHBondContact N-OD1 2.98Å; V183-N186 HydrophobicContact CG1-CB 4.25Å; V183-N186 WeakPolarHBondContact O-CB 3.41Å; V183-N186 PolarHBondContact O-ND2 2.81Å; T184-N186 PolarHBondContact O-ND2 3.28Å; N186-L188 HydrophobicContact CB-CG 4.46Å; N186-E208 PolarHBondContact N-O 2.85Å; N186-E208 VanDerWaalsContact N-O 3.16Å; N186-N209 WeakPolarHBondContact CA-OD1 3.31Å; N186-N209 WeakPolarHBondContact CB-OD1 3.22Å; N186-N209 PolarHBondContact O-OD1 2.97Å |
| 187 | R | 97.5 | Very high | 96.7 | Very high | 114 Ų | 114 | 41.7 Ų | 41.7 | 43% | 0.43 | 21% | 0.21 | S | C | . | . | trans | -117.8 | 24.4 | -176.8 | -58.6 | 179.7 | -175.3 | 150.6 | 5 | 112.3 | H164 L165 E189 N209 L210 | H164-R187 PolarHBondContact CD2-NH2 3.07Å; H164-R187 PolarHBondContact CE1-NH2 2.89Å; H164-R187 PolarHBondContact ND1-NH2 2.81Å; H164-R187 PolarHBondContact NE2-NH2 3.25Å; L165-R187 CarbonylContact O-C 3.37Å; L165-R187 VanDerWaalsContact O-CA 3.27Å; L165-R187 WeakPolarHBondContact O-CA 3.49Å; L165-R187 WeakPolarHBondContact O-CB 3.36Å; L165-R187 PolarHBondContact O-N 2.89Å; R187-E189 PolarHBondContact O-N 3.05Å; R187-N209 PolarHBondContact N-OD1 3.1Å; R187-L210 HydrophobicContact CB-CD1 4.25Å | ||
| 188 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -64.3 | 117.7 | -176.2 | -59.8 | 178.3 | 0 | 0 | 0 | 110.7 | L165 S166 L168 V183 N186 L191 L206 N209 L210 L211 | L165-L188 HydrophobicContact CB-CD2 4.16Å; L165-L188 PolarHBondContact O-N 2.94Å; S166-L188 WeakPolarHBondContact O-CA 3.39Å; L168-L188 HydrophobicContact CD1-CD1 4.01Å; L168-L188 HydrophobicContact CD2-CD2 4.42Å; L168-L188 HydrophobicContact CG-CD1 4.1Å; L168-L188 HydrophobicContact CG-CD2 3.97Å; V183-L188 HydrophobicContact CB-CD1 4.13Å; V183-L188 HydrophobicContact CG1-CD1 3.87Å; N186-L188 HydrophobicContact CB-CG 4.46Å; L188-L191 HydrophobicContact CD1-CD2 4.2Å; L188-L206 HydrophobicContact CD1-CD2 4.04Å; L188-N209 HydrophobicContact CB-CB 4.29Å; L188-N209 VanDerWaalsContact CB-OD1 3.28Å; L188-N209 WeakPolarHBondContact CB-OD1 3.25Å; L188-N209 VanDerWaalsContact CG-OD1 3.28Å; L188-N209 WeakPolarHBondContact CG-OD1 3.44Å; L188-N209 PolarHBondContact N-OD1 2.55Å; L188-L210 CarbonylContact O-C 3.41Å; L188-L210 VanDerWaalsContact O-CA 3.3Å; L188-L210 WeakPolarHBondContact O-CA 3.4Å; L188-L210 PolarHBondContact O-N 2.89Å; L188-L211 HydrophobicContact CB-CD2 4Å; L188-L211 WeakPolarHBondContact O-CD2 3.35Å; L188-L211 PolarHBondContact O-N 3.22Å; L188-L211 VanDerWaalsContact O-N 3.13Å | ||
| 189 | E | 96.1 | Very high | 96.5 | Very high | 106 Ų | 106 | 43.7 Ų | 43.7 | 50% | 0.495 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -91.9 | -26.9 | 173.7 | -62.6 | -174.5 | 161.3 | 0 | 0 | 112.1 | R187 L210 | R187-E189 PolarHBondContact O-N 3.05Å; E189-L210 HydrophobicContact CG-CB 4.11Å; E189-L210 HydrophobicContact CG-CD1 4.49Å |
| 190 | R | 95.6 | Very high | 96.4 | Very high | 164 Ų | 164 | 44.5 Ų | 44.5 | 62% | 0.619 | 23% | 0.226 | S | C | * | . | trans | -142.7 | 161.5 | -178.6 | -60.4 | -177.7 | -62.6 | 129.9 | 9.3 | 111 | ||||
| 191 | L | 96.9 | Very high | 96.4 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | trans | -116.4 | 143.4 | 172.8 | -56.7 | 172.2 | 0 | 0 | 0 | 110 | L168 L188 L195 L206 L211 I214 P215 | L168-L191 HydrophobicContact CD1-CD2 4.38Å; L188-L191 HydrophobicContact CD1-CD2 4.2Å; L191-L195 HydrophobicContact CB-CD2 4.38Å; L191-L195 HydrophobicContact CD1-CD2 4.22Å; L191-L195 HydrophobicContact CD2-CD2 4.46Å; L191-L206 HydrophobicContact CD1-CD1 3.57Å; L191-L206 HydrophobicContact CD2-CD1 3.79Å; L191-L206 HydrophobicContact CD2-CD2 4.18Å; L191-L206 HydrophobicContact CG-CD1 4.33Å; L191-L211 HydrophobicContact CD1-CD1 4.12Å; L191-L211 HydrophobicContact CD2-CD1 4.22Å; L191-L211 HydrophobicContact CD2-CD2 3.95Å; L191-L211 HydrophobicContact CG-CD1 4.21Å; L191-L211 HydrophobicContact CG-CD2 3.85Å; L191-I214 HydrophobicContact CD1-CG2 4.36Å; L191-P215 HydrophobicContact CB-CG 4.11Å | ||
| 192 | P | 96.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | trans | -69 | 143.6 | 175.5 | 29.4 | -34.8 | 0 | 0 | 0 | 110.9 | L168 E170 T194 L195 | L168-P192 HydrophobicContact CB-CG 4.12Å; L168-P192 WeakPolarHBondContact O-CG 3.39Å; E170-P192 HydrophobicContact CG-CB 4.02Å; P192-T194 PolarHBondContact O-N 2.98Å; P192-L195 HydrophobicContact CG-CB 4.34Å; P192-L195 VanDerWaalsContact O-CB 3.25Å; P192-L195 WeakPolarHBondContact O-CB 3.36Å; P192-L195 PolarHBondContact O-N 3.11Å; P192-L195 VanDerWaalsContact O-N 3.07Å | ||
| 193 | L | 96.2 | Very high | 96.4 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -60.5 | -34.8 | -179.6 | -52.3 | -174.2 | 0 | 0 | 0 | 111.6 | L195 G196 P215 E217 | L193-L195 PolarHBondContact O-N 3.02Å; L193-L195 VanDerWaalsContact O-N 3.16Å; L193-G196 PolarHBondContact O-N 2.81Å; L193-P215 HydrophobicContact CD2-CB 3.55Å; L193-E217 HydrophobicContact CB-CG 4.2Å; L193-E217 VanDerWaalsContact O-CB 3.28Å; L193-E217 WeakPolarHBondContact O-CB 3.13Å |
| 194 | T | 95.9 | Very high | 96.4 | Very high | 42 Ų | 42 | 51 Ų | 51 | 26% | 0.258 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -63 | -15.7 | 177.7 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | E170 G173 P192 G196 S197 | E170-T194 VanDerWaalsContact CA-OG1 3.31Å; E170-T194 WeakPolarHBondContact CA-OG1 3.41Å; E170-T194 HydrophobicContact CB-CG2 4.07Å; E170-T194 WeakPolarHBondContact O-CB 3.42Å; E170-T194 PolarHBondContact O-OG1 3.13Å; G173-T194 VanDerWaalsContact CA-O 3.28Å; G173-T194 WeakPolarHBondContact CA-O 3.45Å; P192-T194 PolarHBondContact O-N 2.98Å; T194-G196 PolarHBondContact O-N 3.13Å; T194-G196 VanDerWaalsContact O-N 3.16Å; T194-S197 WeakPolarHBondContact O-CB 3.47Å; T194-S197 PolarHBondContact O-N 2.96Å; T194-S197 PolarHBondContact O-OG 2.93Å |
| 195 | L | 95.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -56.3 | -32.6 | 174 | -165.2 | 73.5 | 0 | 0 | 0 | 111.1 | L172 L181 L191 P192 L193 S197 L198 L204 I218 L221 | L172-L195 HydrophobicContact CD2-CD1 4.3Å; L181-L195 HydrophobicContact CD2-CD1 4.05Å; L191-L195 HydrophobicContact CB-CD2 4.38Å; L191-L195 HydrophobicContact CD1-CD2 4.22Å; L191-L195 HydrophobicContact CD2-CD2 4.46Å; P192-L195 HydrophobicContact CG-CB 4.34Å; P192-L195 VanDerWaalsContact O-CB 3.25Å; P192-L195 WeakPolarHBondContact O-CB 3.36Å; P192-L195 PolarHBondContact O-N 3.11Å; P192-L195 VanDerWaalsContact O-N 3.07Å; L193-L195 PolarHBondContact O-N 3.02Å; L193-L195 VanDerWaalsContact O-N 3.16Å; L195-S197 PolarHBondContact O-N 2.87Å; L195-L198 HydrophobicContact CD1-CD1 3.76Å; L195-L198 HydrophobicContact CG-CD1 4.4Å; L195-L198 WeakPolarHBondContact O-CG 3.32Å; L195-L198 PolarHBondContact O-N 3.21Å; L195-L204 HydrophobicContact CD2-CD2 4.12Å; L195-I218 HydrophobicContact CD2-CD1 4.15Å; L195-L221 WeakPolarHBondContact O-CD2 3.17Å |
| 196 | G | 93.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -65.1 | -13 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L193 T194 L198 E217 N220 | L193-G196 PolarHBondContact O-N 2.81Å; T194-G196 PolarHBondContact O-N 3.13Å; T194-G196 VanDerWaalsContact O-N 3.16Å; G196-L198 VanDerWaalsContact C-N 3.32Å; G196-E217 WeakPolarHBondContact CA-O 3.42Å; G196-N220 WeakPolarHBondContact O-CB 3.47Å |
| 197 | S | 95.6 | Very high | 96.6 | Very high | 80 Ų | 80 | 48 Ų | 48 | 56% | 0.559 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -79 | -12.3 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 113.6 | G173 T194 L195 S199 | G173-S197 WeakPolarHBondContact O-CB 3.46Å; T194-S197 WeakPolarHBondContact O-CB 3.47Å; T194-S197 PolarHBondContact O-N 2.96Å; T194-S197 PolarHBondContact O-OG 2.93Å; L195-S197 PolarHBondContact O-N 2.87Å; S197-S199 PolarHBondContact O-N 2.88Å |
| 198 | L | 95.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | trans | -72.4 | 67.2 | -178.6 | -62.7 | 174.5 | 0 | 0 | 0 | 112 | L175 L178 L195 G196 T200 L201 L221 | L175-L198 HydrophobicContact CB-CD2 4.18Å; L175-L198 VanDerWaalsContact O-CD2 3.22Å; L175-L198 WeakPolarHBondContact O-CD2 3.11Å; L178-L198 HydrophobicContact CD2-CD1 4.18Å; L195-L198 HydrophobicContact CD1-CD1 3.76Å; L195-L198 HydrophobicContact CG-CD1 4.4Å; L195-L198 WeakPolarHBondContact O-CG 3.32Å; L195-L198 PolarHBondContact O-N 3.21Å; G196-L198 VanDerWaalsContact C-N 3.32Å; L198-T200 PolarHBondContact O-N 2.85Å; L198-L201 HydrophobicContact CB-CB 3.97Å; L198-L201 HydrophobicContact CB-CD2 4.42Å; L198-L201 HydrophobicContact CD1-CD2 4.19Å; L198-L201 VanDerWaalsContact O-CB 3.26Å; L198-L201 WeakPolarHBondContact O-CB 3.23Å; L198-L201 PolarHBondContact O-N 3.06Å; L198-L221 HydrophobicContact CB-CD2 3.88Å; L198-L221 VanDerWaalsContact O-CD2 3.22Å; L198-L221 WeakPolarHBondContact O-CD2 3.31Å | ||
| 199 | S | 91.6 | Very high | 96.7 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.7 | -171.8 | 66.4 | 0 | 0 | 0 | 0 | 115 | S197 S223 | S197-S199 PolarHBondContact O-N 2.88Å; S199-S223 VanDerWaalsContact O-CB 3.28Å; S199-S223 WeakPolarHBondContact O-CB 3.42Å; S199-S223 PolarHBondContact O-OG 2.91Å |
| 200 | T | 96.2 | Very high | 96.7 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 28% | 0.282 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -11.8 | 176.9 | 35.5 | 0 | 0 | 0 | 0 | 114.2 | P176 L178 L198 Q202 | P176-T200 WeakPolarHBondContact O-CG2 3.32Å; P176-T200 PolarHBondContact O-OG1 3.26Å; L178-T200 CarbonylContact O-C 3.52Å; L198-T200 PolarHBondContact O-N 2.85Å; T200-Q202 WeakPolarHBondContact O-CG 3.42Å; T200-Q202 PolarHBondContact O-N 3.46Å |
| 201 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -65.2 | 123.6 | -173.9 | -161.9 | 69.6 | 0 | 0 | 0 | 111.9 | L178 L181 L198 L204 L221 S223 L224 | L178-L201 HydrophobicContact CD2-CD1 4.21Å; L178-L201 HydrophobicContact CG-CD1 4.18Å; L178-L201 VanDerWaalsContact O-CA 3.22Å; L178-L201 WeakPolarHBondContact O-CA 3.07Å; L178-L201 WeakPolarHBondContact O-CD1 3.33Å; L178-L201 PolarHBondContact O-N 2.72Å; L181-L201 HydrophobicContact CB-CD1 3.96Å; L198-L201 HydrophobicContact CB-CB 3.97Å; L198-L201 HydrophobicContact CB-CD2 4.42Å; L198-L201 HydrophobicContact CD1-CD2 4.19Å; L198-L201 VanDerWaalsContact O-CB 3.26Å; L198-L201 WeakPolarHBondContact O-CB 3.23Å; L198-L201 PolarHBondContact O-N 3.06Å; L201-L204 HydrophobicContact CD2-CB 3.97Å; L201-L204 HydrophobicContact CD2-CD1 4.29Å; L201-L204 HydrophobicContact CD2-CD2 4.12Å; L201-L204 HydrophobicContact CD2-CG 4.36Å; L201-L221 HydrophobicContact CB-CD2 4.32Å; L201-L221 HydrophobicContact CD2-CD1 4.18Å; L201-L221 HydrophobicContact CD2-CD2 4.43Å; L201-S223 CarbonylContact O-C 3.3Å; L201-S223 WeakPolarHBondContact O-CB 3.29Å; L201-L224 HydrophobicContact CD2-CD1 4.26Å; L201-L224 HydrophobicContact CG-CD1 4.14Å; L201-L224 VanDerWaalsContact O-CA 3.24Å; L201-L224 WeakPolarHBondContact O-CA 3.43Å; L201-L224 PolarHBondContact O-N 2.82Å; L201-L224 VanDerWaalsContact O-N 3.08Å | ||
| 202 | Q | 98.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 38.5 Ų | 38.5 | 44% | 0.439 | 21% | 0.209 | S | C | . | . | trans | -107.6 | -31.5 | -177.2 | -60.3 | -176.3 | 22.3 | 0 | 0 | 112.7 | T179 T200 S225 E226 | T179-Q202 HydrophobicContact CG2-CG 4.41Å; T179-Q202 PolarHBondContact O-N 2.87Å; T200-Q202 WeakPolarHBondContact O-CG 3.42Å; T200-Q202 PolarHBondContact O-N 3.46Å; Q202-S225 PolarHBondContact O-N 2.98Å; Q202-S225 PolarHBondContact O-OG 3.43Å; Q202-E226 PolarHBondContact O-N 3.5Å; Q202-E226 VanDerWaalsContact O-N 3.13Å | ||
| 203 | R | 98.6 | Very high | 96.8 | Very high | 108 Ų | 108 | 41.8 Ų | 41.8 | 41% | 0.408 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.3 | 174.3 | -53.7 | -170.1 | 167.7 | 97.7 | 10.1 | 111.1 | T179 F180 L181 E226 | T179-R203 PolarHBondContact O-N 2.9Å; F180-R203 HydrophobicContact CD2-CB 3.64Å; F180-R203 HydrophobicContact CD2-CG 4.04Å; F180-R203 HydrophobicContact CE2-CB 3.94Å; F180-R203 HydrophobicContact CE2-CG 4.34Å; L181-R203 PolarHBondContact N-O 2.91Å; L181-R203 VanDerWaalsContact N-O 3.11Å; R203-E226 WeakPolarHBondContact CA-O 3.27Å; R203-E226 HydrophobicContact CB-CB 4.38Å; R203-E226 VanDerWaalsContact CD-OE2 3.29Å; R203-E226 WeakPolarHBondContact CD-OE2 3.28Å; R203-E226 HydrophobicContact CG-CB 4.08Å; R203-E226 HydrophobicContact CG-CG 4.37Å; R203-E226 IonicContact CZ-OE1 2.71Å; R203-E226 VanDerWaalsContact CZ-OE1 3.29Å; R203-E226 IonicContact CZ-OE2 3.29Å; R203-E226 IonicContact NE-OE1 3.39Å; R203-E226 PolarHBondContact NE-OE1 3.1Å; R203-E226 IonicContact NE-OE2 2.8Å; R203-E226 PolarHBondContact NE-OE2 2.91Å; R203-E226 IonicContact NH2-OE1 3.47Å; R203-E226 PolarHBondContact NH2-OE1 3.29Å |
| 204 | L | 98.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 115.3 | 174.8 | 179.1 | 54.8 | 0 | 0 | 0 | 110 | L181 L195 L201 L206 I218 L221 L224 E226 L227 N228 | L181-L204 HydrophobicContact CB-CD1 4.02Å; L181-L204 HydrophobicContact CD2-CD1 3.84Å; L181-L204 HydrophobicContact CG-CD1 3.95Å; L181-L204 WeakPolarHBondContact O-CA 3.23Å; L195-L204 HydrophobicContact CD2-CD2 4.12Å; L201-L204 HydrophobicContact CD2-CB 3.97Å; L201-L204 HydrophobicContact CD2-CD1 4.29Å; L201-L204 HydrophobicContact CD2-CD2 4.12Å; L201-L204 HydrophobicContact CD2-CG 4.36Å; L204-L206 HydrophobicContact CD1-CD1 3.94Å; L204-L206 HydrophobicContact CD1-CD2 4.05Å; L204-L206 HydrophobicContact CD1-CG 3.74Å; L204-L206 HydrophobicContact CD2-CD1 3.89Å; L204-L206 HydrophobicContact CG-CD1 3.88Å; L204-L206 HydrophobicContact CG-CG 3.96Å; L204-I218 HydrophobicContact CD2-CD1 3.88Å; L204-L221 HydrophobicContact CD2-CD1 4.22Å; L204-L224 HydrophobicContact CB-CD1 3.82Å; L204-E226 PolarHBondContact N-O 2.89Å; L204-L227 HydrophobicContact CB-CD1 4.02Å; L204-L227 HydrophobicContact CD2-CD1 4Å; L204-L227 HydrophobicContact CG-CD1 4Å; L204-L227 WeakPolarHBondContact O-CA 3.23Å; L204-N228 PolarHBondContact O-N 3.4Å |
| 205 | D | 98.6 | Very high | 96.8 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.4 | 173 | -159.2 | -48.1 | 0 | 0 | 0 | 111 | L181 T182 V183 T184 S207 N228 | L181-D205 PolarHBondContact O-N 2.9Å; T182-D205 WeakPolarHBondContact CA-O 3.48Å; V183-D205 PolarHBondContact N-O 3.28Å; T184-D205 PolarHBondContact OG1-OD1 2.96Å; D205-S207 WeakPolarHBondContact OD1-CB 3.22Å; D205-S207 PolarHBondContact OD1-N 2.84Å; D205-S207 PolarHBondContact OD1-OG 3.07Å; D205-N228 HydrophobicContact CB-CB 4.33Å; D205-N228 VanDerWaalsContact CG-ND2 3.34Å; D205-N228 PolarHBondContact OD1-ND2 3.27Å; D205-N228 WeakPolarHBondContact OD2-CB 3.32Å; D205-N228 PolarHBondContact OD2-ND2 2.96Å |
| 206 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -126.4 | 22.2 | 178.3 | -62.9 | 171.2 | 0 | 0 | 0 | 110.3 | V183 L188 L191 L204 N209 L211 N228 L229 N232 | V183-L206 HydrophobicContact CB-CD2 3.97Å; V183-L206 HydrophobicContact CG2-CD2 3.89Å; L188-L206 HydrophobicContact CD1-CD2 4.04Å; L191-L206 HydrophobicContact CD1-CD1 3.57Å; L191-L206 HydrophobicContact CD2-CD1 3.79Å; L191-L206 HydrophobicContact CD2-CD2 4.18Å; L191-L206 HydrophobicContact CG-CD1 4.33Å; L204-L206 HydrophobicContact CD1-CD1 3.94Å; L204-L206 HydrophobicContact CD1-CD2 4.05Å; L204-L206 HydrophobicContact CD1-CG 3.74Å; L204-L206 HydrophobicContact CD2-CD1 3.89Å; L204-L206 HydrophobicContact CG-CD1 3.88Å; L204-L206 HydrophobicContact CG-CG 3.96Å; L206-N209 PolarHBondContact O-ND2 3.25Å; L206-L211 HydrophobicContact CB-CD1 4.19Å; L206-L211 HydrophobicContact CD1-CD1 4.49Å; L206-N228 PolarHBondContact N-O 3.14Å; L206-L229 HydrophobicContact CB-CD2 4.13Å; L206-L229 HydrophobicContact CD1-CD2 4.26Å; L206-N232 PolarHBondContact O-ND2 3.12Å | ||
| 207 | S | 98.3 | Very high | 97 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | trans | -68.7 | 159.6 | -179.8 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | T184 H185 D205 N209 N228 A230 | T184-S207 VanDerWaalsContact CA-O 3.25Å; T184-S207 WeakPolarHBondContact CA-O 3.31Å; T184-S207 WeakPolarHBondContact CG2-OG 3.26Å; H185-S207 PolarHBondContact N-O 3.19Å; H185-S207 VanDerWaalsContact N-O 3.15Å; D205-S207 WeakPolarHBondContact OD1-CB 3.22Å; D205-S207 PolarHBondContact OD1-N 2.84Å; D205-S207 PolarHBondContact OD1-OG 3.07Å; S207-N209 PolarHBondContact O-N 3.38Å; S207-N209 PolarHBondContact O-ND2 2.9Å; S207-N228 WeakPolarHBondContact CB-ND2 3.39Å; S207-N228 WeakPolarHBondContact CB-OD1 3.32Å; S207-N228 PolarHBondContact N-O 2.66Å; S207-N228 PolarHBondContact OG-ND2 3.14Å; S207-A230 CarbonylContact C-O 3.46Å; S207-A230 WeakPolarHBondContact CA-O 3.12Å; S207-A230 VanDerWaalsContact CB-O 3.23Å; S207-A230 WeakPolarHBondContact CB-O 3.01Å | ||
| 208 | E | 98.1 | Very high | 97 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 40% | 0.397 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 55.4 | 54.7 | 177.6 | -62.2 | 176.6 | -69 | 0 | 0 | 111.4 | H185 N186 A230 S231 | H185-E208 WeakPolarHBondContact CA-O 3.43Å; H185-E208 IonicContact CE1-OE1 3.03Å; H185-E208 PolarHBondContact CE1-OE1 2.98Å; H185-E208 IonicContact CE1-OE2 3.14Å; H185-E208 PolarHBondContact CE1-OE2 2.9Å; H185-E208 PolarHBondContact N-O 3.46Å; H185-E208 IonicContact ND1-OE1 2.81Å; H185-E208 PolarHBondContact ND1-OE1 2.62Å; H185-E208 IonicContact ND1-OE2 3.65Å; N186-E208 PolarHBondContact N-O 2.85Å; N186-E208 VanDerWaalsContact N-O 3.16Å; E208-A230 PolarHBondContact N-O 3.1Å; E208-S231 VanDerWaalsContact CA-O 3.31Å; E208-S231 WeakPolarHBondContact CA-O 3.43Å; E208-S231 PolarHBondContact N-O 3.14Å |
| 209 | N | 98.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -132.9 | -172.8 | 177.7 | -87.9 | -85.5 | 0 | 0 | 0 | 109.2 | V183 N186 R187 L188 L206 S207 L211 S231 N232 | V183-N209 PolarHBondContact O-ND2 2.83Å; N186-N209 WeakPolarHBondContact CA-OD1 3.31Å; N186-N209 WeakPolarHBondContact CB-OD1 3.22Å; N186-N209 PolarHBondContact O-OD1 2.97Å; R187-N209 PolarHBondContact N-OD1 3.1Å; L188-N209 HydrophobicContact CB-CB 4.29Å; L188-N209 VanDerWaalsContact CB-OD1 3.28Å; L188-N209 WeakPolarHBondContact CB-OD1 3.25Å; L188-N209 VanDerWaalsContact CG-OD1 3.28Å; L188-N209 WeakPolarHBondContact CG-OD1 3.44Å; L188-N209 PolarHBondContact N-OD1 2.55Å; L206-N209 PolarHBondContact O-ND2 3.25Å; S207-N209 PolarHBondContact O-N 3.38Å; S207-N209 PolarHBondContact O-ND2 2.9Å; N209-L211 HydrophobicContact CB-CG 4.37Å; N209-S231 PolarHBondContact N-O 3.35Å; N209-N232 WeakPolarHBondContact CA-OD1 3.26Å; N209-N232 WeakPolarHBondContact CB-OD1 3.47Å; N209-N232 PolarHBondContact O-OD1 2.86Å |
| 210 | L | 97.9 | Very high | 97.1 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | trans | -110.4 | 20.3 | -173.1 | -52.7 | -176 | 0 | 0 | 0 | 112.7 | R187 L188 E189 D212 N232 | R187-L210 HydrophobicContact CB-CD1 4.25Å; L188-L210 CarbonylContact O-C 3.41Å; L188-L210 VanDerWaalsContact O-CA 3.3Å; L188-L210 WeakPolarHBondContact O-CA 3.4Å; L188-L210 PolarHBondContact O-N 2.89Å; E189-L210 HydrophobicContact CG-CB 4.11Å; E189-L210 HydrophobicContact CG-CD1 4.49Å; L210-D212 PolarHBondContact O-N 3.33Å; L210-N232 PolarHBondContact N-OD1 3.15Å | ||
| 211 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -66.4 | 115.6 | -171.3 | -60.3 | 173.1 | 0 | 0 | 0 | 111.5 | L188 L191 L206 N209 L229 N232 R233 L234 | L188-L211 HydrophobicContact CB-CD2 4Å; L188-L211 WeakPolarHBondContact O-CD2 3.35Å; L188-L211 PolarHBondContact O-N 3.22Å; L188-L211 VanDerWaalsContact O-N 3.13Å; L191-L211 HydrophobicContact CD1-CD1 4.12Å; L191-L211 HydrophobicContact CD2-CD1 4.22Å; L191-L211 HydrophobicContact CD2-CD2 3.95Å; L191-L211 HydrophobicContact CG-CD1 4.21Å; L191-L211 HydrophobicContact CG-CD2 3.85Å; L206-L211 HydrophobicContact CB-CD1 4.19Å; L206-L211 HydrophobicContact CD1-CD1 4.49Å; N209-L211 HydrophobicContact CB-CG 4.37Å; L211-L229 HydrophobicContact CD1-CD2 4.22Å; L211-N232 HydrophobicContact CB-CB 4.29Å; L211-N232 VanDerWaalsContact CB-OD1 3.26Å; L211-N232 WeakPolarHBondContact CB-OD1 3.22Å; L211-N232 WeakPolarHBondContact CG-OD1 3.29Å; L211-N232 PolarHBondContact N-OD1 3Å; L211-R233 CarbonylContact O-C 3.33Å; L211-R233 WeakPolarHBondContact O-CA 3.32Å; L211-R233 PolarHBondContact O-N 3.15Å; L211-L234 HydrophobicContact CB-CD2 4.09Å; L211-L234 WeakPolarHBondContact O-CD2 3.04Å; L211-L234 PolarHBondContact O-N 3.2Å | ||
| 212 | D | 95.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 46.5 Ų | 46.5 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -83.2 | -27.2 | 172.4 | -67.6 | -53.9 | 0 | 0 | 0 | 112.3 | L210 R233 | L210-D212 PolarHBondContact O-N 3.33Å; D212-R233 WeakPolarHBondContact OD1-CB 3.44Å; D212-R233 VanDerWaalsContact OD1-CD 3.29Å; D212-R233 WeakPolarHBondContact OD1-CD 3.26Å |
| 213 | T | 95.6 | Very high | 96.7 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 50% | 0.497 | 23% | 0.225 | S | C | . | . | trans | -145.9 | 166 | -178.5 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 214 | I | 96.8 | Very high | 96.7 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.062 | 21% | 0.206 | C | C | . | . | trans | -125.7 | 134.3 | 174.3 | -54.8 | 167.8 | 0 | 0 | 0 | 108.3 | L191 I218 L229 L234 L237 P238 | L191-I214 HydrophobicContact CD1-CG2 4.36Å; I214-I218 HydrophobicContact CG2-CB 3.82Å; I214-I218 HydrophobicContact CG2-CD1 4.42Å; I214-I218 HydrophobicContact CG2-CG1 3.99Å; I214-I218 HydrophobicContact CG2-CG2 3.71Å; I214-L229 HydrophobicContact CD1-CD1 3.48Å; I214-L229 VanDerWaalsContact CD1-CD1 3.48Å; I214-L229 HydrophobicContact CD1-CD2 3.88Å; I214-L229 HydrophobicContact CD1-CG 4.29Å; I214-L229 HydrophobicContact CG1-CD2 4.39Å; I214-L234 HydrophobicContact CD1-CD1 3.8Å; I214-L234 HydrophobicContact CD1-CD2 4.07Å; I214-L234 HydrophobicContact CG1-CD1 4.3Å; I214-L234 HydrophobicContact CG1-CD2 3.66Å; I214-L237 HydrophobicContact CD1-CD2 3.88Å; I214-P238 HydrophobicContact CB-CG 4.35Å | ||
| 215 | P | 96.4 | Very high | 96.7 | Very high | 19 Ų | 19 | 40 Ų | 40 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | trans | -63.7 | 147.8 | 176.5 | 28 | -35.9 | 0 | 0 | 0 | 111.8 | L191 L193 E217 I218 | L191-P215 HydrophobicContact CB-CG 4.11Å; L193-P215 HydrophobicContact CD2-CB 3.55Å; P215-E217 PolarHBondContact O-N 3.38Å; P215-I218 WeakPolarHBondContact O-CB 3.32Å; P215-I218 VanDerWaalsContact O-CG2 3.23Å; P215-I218 WeakPolarHBondContact O-CG2 3.08Å; P215-I218 PolarHBondContact O-N 2.91Å | ||
| 216 | S | 96.4 | Very high | 96.7 | Very high | 66 Ų | 66 | 41 Ų | 41 | 46% | 0.462 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -60.8 | -29.2 | -178.9 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | I218 G219 S240 | S216-I218 PolarHBondContact O-N 3.46Å; S216-I218 VanDerWaalsContact O-N 3.15Å; S216-G219 PolarHBondContact O-N 3.4Å; S216-G219 VanDerWaalsContact O-N 3.08Å; S216-S240 WeakPolarHBondContact CA-OG 3.18Å; S216-S240 WeakPolarHBondContact O-CB 3.26Å; S216-S240 PolarHBondContact O-OG 3.33Å |
| 217 | E | 96.9 | Very high | 96.7 | Very high | 57 Ų | 57 | 41.1 Ų | 41.1 | 27% | 0.266 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -61.4 | -21.9 | -177.8 | -70.1 | 78.2 | 173.2 | 0 | 0 | 112.1 | L193 G196 P215 G219 N220 | L193-E217 HydrophobicContact CB-CG 4.2Å; L193-E217 VanDerWaalsContact O-CB 3.28Å; L193-E217 WeakPolarHBondContact O-CB 3.13Å; G196-E217 WeakPolarHBondContact CA-O 3.42Å; P215-E217 PolarHBondContact O-N 3.38Å; E217-G219 PolarHBondContact O-N 3.41Å; E217-G219 VanDerWaalsContact O-N 3.11Å; E217-N220 VanDerWaalsContact O-CB 3.27Å; E217-N220 WeakPolarHBondContact O-CB 3.42Å; E217-N220 PolarHBondContact O-N 3.43Å; E217-N220 PolarHBondContact O-ND2 3.09Å |
| 218 | I | 95.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -52.9 | -32.4 | 171.9 | -156.6 | 74.2 | 0 | 0 | 0 | 111.9 | L195 L204 I214 P215 S216 N220 L221 P238 L241 L244 | L195-I218 HydrophobicContact CD2-CD1 4.15Å; L204-I218 HydrophobicContact CD2-CD1 3.88Å; I214-I218 HydrophobicContact CG2-CB 3.82Å; I214-I218 HydrophobicContact CG2-CD1 4.42Å; I214-I218 HydrophobicContact CG2-CG1 3.99Å; I214-I218 HydrophobicContact CG2-CG2 3.71Å; P215-I218 WeakPolarHBondContact O-CB 3.32Å; P215-I218 VanDerWaalsContact O-CG2 3.23Å; P215-I218 WeakPolarHBondContact O-CG2 3.08Å; P215-I218 PolarHBondContact O-N 2.91Å; S216-I218 PolarHBondContact O-N 3.46Å; S216-I218 VanDerWaalsContact O-N 3.15Å; I218-N220 PolarHBondContact O-N 3.16Å; I218-N220 VanDerWaalsContact O-N 3.16Å; I218-L221 HydrophobicContact CD1-CD1 3.65Å; I218-L221 HydrophobicContact CG1-CD1 4.1Å; I218-L221 WeakPolarHBondContact O-CB 3.32Å; I218-L221 WeakPolarHBondContact O-CG 3.41Å; I218-L221 PolarHBondContact O-N 3.21Å; I218-P238 HydrophobicContact CG2-CG 4.19Å; I218-L241 HydrophobicContact CG2-CD2 3.62Å; I218-L241 HydrophobicContact CG2-CG 4.3Å; I218-L244 WeakPolarHBondContact O-CD2 3.48Å |
| 219 | G | 93.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -67.3 | -10.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S216 E217 L221 S240 | S216-G219 PolarHBondContact O-N 3.4Å; S216-G219 VanDerWaalsContact O-N 3.08Å; E217-G219 PolarHBondContact O-N 3.41Å; E217-G219 VanDerWaalsContact O-N 3.11Å; G219-L221 VanDerWaalsContact C-N 3.32Å; G219-S240 VanDerWaalsContact CA-O 3.27Å; G219-S240 WeakPolarHBondContact CA-O 3.31Å |
| 220 | N | 95.6 | Very high | 96.7 | Very high | 91 Ų | 91 | 38.1 Ų | 38.1 | 49% | 0.487 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -81.5 | -9.3 | 175.8 | -64.9 | -39 | 0 | 0 | 0 | 113.3 | G196 E217 I218 R222 | G196-N220 WeakPolarHBondContact O-CB 3.47Å; E217-N220 VanDerWaalsContact O-CB 3.27Å; E217-N220 WeakPolarHBondContact O-CB 3.42Å; E217-N220 PolarHBondContact O-N 3.43Å; E217-N220 PolarHBondContact O-ND2 3.09Å; I218-N220 PolarHBondContact O-N 3.16Å; I218-N220 VanDerWaalsContact O-N 3.16Å; N220-R222 PolarHBondContact O-N 2.98Å |
| 221 | L | 96.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -73.3 | 68.9 | -179.9 | -61.9 | 176 | 0 | 0 | 0 | 112.1 | L195 L198 L201 L204 I218 G219 S223 L224 L244 | L195-L221 WeakPolarHBondContact O-CD2 3.17Å; L198-L221 HydrophobicContact CB-CD2 3.88Å; L198-L221 VanDerWaalsContact O-CD2 3.22Å; L198-L221 WeakPolarHBondContact O-CD2 3.31Å; L201-L221 HydrophobicContact CB-CD2 4.32Å; L201-L221 HydrophobicContact CD2-CD1 4.18Å; L201-L221 HydrophobicContact CD2-CD2 4.43Å; L204-L221 HydrophobicContact CD2-CD1 4.22Å; I218-L221 HydrophobicContact CD1-CD1 3.65Å; I218-L221 HydrophobicContact CG1-CD1 4.1Å; I218-L221 WeakPolarHBondContact O-CB 3.32Å; I218-L221 WeakPolarHBondContact O-CG 3.41Å; I218-L221 PolarHBondContact O-N 3.21Å; G219-L221 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.15Å; L221-S223 VanDerWaalsContact O-N 3.1Å; L221-L224 HydrophobicContact CB-CB 3.9Å; L221-L224 HydrophobicContact CB-CD2 4.28Å; L221-L224 HydrophobicContact CD1-CD2 4.01Å; L221-L224 VanDerWaalsContact O-CB 3.23Å; L221-L224 WeakPolarHBondContact O-CB 3.43Å; L221-L224 PolarHBondContact O-N 2.97Å; L221-L244 HydrophobicContact CB-CD2 3.94Å; L221-L244 VanDerWaalsContact O-CD2 3.32Å; L221-L244 WeakPolarHBondContact O-CD2 3.31Å | ||
| 222 | R | 91.5 | Very high | 96.8 | Very high | 190 Ų | 190 | 38.4 Ų | 38.4 | 72% | 0.717 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.6 | -171.4 | -67.7 | 176.3 | -171 | -176.4 | 3.7 | 114.6 | N220 S246 | N220-R222 PolarHBondContact O-N 2.98Å; R222-S246 VanDerWaalsContact O-CB 3.27Å; R222-S246 WeakPolarHBondContact O-CB 3.23Å; R222-S246 PolarHBondContact O-OG 2.88Å |
| 223 | S | 96.6 | Very high | 96.9 | Very high | 49 Ų | 49 | 40.3 Ų | 40.3 | 34% | 0.343 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.7 | 178.1 | -57.4 | 0 | 0 | 0 | 0 | 113.6 | S199 L201 L221 S225 | S199-S223 VanDerWaalsContact O-CB 3.28Å; S199-S223 WeakPolarHBondContact O-CB 3.42Å; S199-S223 PolarHBondContact O-OG 2.91Å; L201-S223 CarbonylContact O-C 3.3Å; L201-S223 WeakPolarHBondContact O-CB 3.29Å; L221-S223 PolarHBondContact O-N 3.15Å; L221-S223 VanDerWaalsContact O-N 3.1Å; S223-S225 PolarHBondContact O-N 3.28Å |
| 224 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -68.6 | 122.5 | -170.6 | -163.5 | 71.2 | 0 | 0 | 0 | 111.2 | L201 L204 L221 L227 L244 S246 L247 | L201-L224 HydrophobicContact CD2-CD1 4.26Å; L201-L224 HydrophobicContact CG-CD1 4.14Å; L201-L224 VanDerWaalsContact O-CA 3.24Å; L201-L224 WeakPolarHBondContact O-CA 3.43Å; L201-L224 PolarHBondContact O-N 2.82Å; L201-L224 VanDerWaalsContact O-N 3.08Å; L204-L224 HydrophobicContact CB-CD1 3.82Å; L221-L224 HydrophobicContact CB-CB 3.9Å; L221-L224 HydrophobicContact CB-CD2 4.28Å; L221-L224 HydrophobicContact CD1-CD2 4.01Å; L221-L224 VanDerWaalsContact O-CB 3.23Å; L221-L224 WeakPolarHBondContact O-CB 3.43Å; L221-L224 PolarHBondContact O-N 2.97Å; L224-L227 HydrophobicContact CD2-CB 3.92Å; L224-L227 HydrophobicContact CD2-CD1 4.26Å; L224-L227 HydrophobicContact CD2-CD2 4.05Å; L224-L227 HydrophobicContact CD2-CG 4.29Å; L224-L244 HydrophobicContact CB-CD2 4.37Å; L224-L244 HydrophobicContact CD2-CD1 4.2Å; L224-L244 HydrophobicContact CD2-CD2 4.44Å; L224-S246 CarbonylContact O-C 3.15Å; L224-S246 WeakPolarHBondContact O-CB 3.35Å; L224-L247 HydrophobicContact CD2-CD1 4.47Å; L224-L247 HydrophobicContact CG-CD1 4.37Å; L224-L247 VanDerWaalsContact O-CA 3.31Å; L224-L247 WeakPolarHBondContact O-CA 3.17Å; L224-L247 PolarHBondContact O-N 2.89Å; L224-L247 VanDerWaalsContact O-N 3.14Å | ||
| 225 | S | 97.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | trans | -111.2 | -29.4 | -176.3 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | Q202 S223 R248 L249 | Q202-S225 PolarHBondContact O-N 2.98Å; Q202-S225 PolarHBondContact O-OG 3.43Å; S223-S225 PolarHBondContact O-N 3.28Å; S225-R248 WeakPolarHBondContact O-CA 3.26Å; S225-R248 WeakPolarHBondContact O-CB 3.33Å; S225-R248 PolarHBondContact O-N 3.32Å; S225-L249 PolarHBondContact O-N 3.16Å | ||
| 226 | E | 98.5 | Very high | 96.9 | Very high | 62 Ų | 62 | 43.4 Ų | 43.4 | 29% | 0.29 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.7 | 179.5 | -59.1 | 169.6 | -144.4 | 0 | 0 | 109.2 | Q202 R203 L204 L249 | Q202-E226 PolarHBondContact O-N 3.5Å; Q202-E226 VanDerWaalsContact O-N 3.13Å; R203-E226 WeakPolarHBondContact CA-O 3.27Å; R203-E226 HydrophobicContact CB-CB 4.38Å; R203-E226 VanDerWaalsContact CD-OE2 3.29Å; R203-E226 WeakPolarHBondContact CD-OE2 3.28Å; R203-E226 HydrophobicContact CG-CB 4.08Å; R203-E226 HydrophobicContact CG-CG 4.37Å; R203-E226 IonicContact CZ-OE1 2.71Å; R203-E226 VanDerWaalsContact CZ-OE1 3.29Å; R203-E226 IonicContact CZ-OE2 3.29Å; R203-E226 IonicContact NE-OE1 3.39Å; R203-E226 PolarHBondContact NE-OE1 3.1Å; R203-E226 IonicContact NE-OE2 2.8Å; R203-E226 PolarHBondContact NE-OE2 2.91Å; R203-E226 IonicContact NH2-OE1 3.47Å; R203-E226 PolarHBondContact NH2-OE1 3.29Å; L204-E226 PolarHBondContact N-O 2.89Å; E226-L249 WeakPolarHBondContact CA-O 3.18Å; E226-L249 HydrophobicContact CB-CB 4.49Å; E226-L249 HydrophobicContact CB-CD2 4.45Å; E226-L249 HydrophobicContact CG-CB 4.17Å |
| 227 | L | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 114.5 | 177.8 | 177.6 | 53.9 | 0 | 0 | 0 | 109.4 | L204 L224 L229 L241 L244 L247 L249 L250 V251 | L204-L227 HydrophobicContact CB-CD1 4.02Å; L204-L227 HydrophobicContact CD2-CD1 4Å; L204-L227 HydrophobicContact CG-CD1 4Å; L204-L227 WeakPolarHBondContact O-CA 3.23Å; L224-L227 HydrophobicContact CD2-CB 3.92Å; L224-L227 HydrophobicContact CD2-CD1 4.26Å; L224-L227 HydrophobicContact CD2-CD2 4.05Å; L224-L227 HydrophobicContact CD2-CG 4.29Å; L227-L229 HydrophobicContact CD1-CD1 3.91Å; L227-L229 HydrophobicContact CD1-CG 3.95Å; L227-L229 HydrophobicContact CD2-CD1 3.82Å; L227-L229 HydrophobicContact CG-CD1 3.7Å; L227-L229 HydrophobicContact CG-CG 4.15Å; L227-L241 HydrophobicContact CD2-CD2 4.02Å; L227-L244 HydrophobicContact CD2-CD1 4.13Å; L227-L247 HydrophobicContact CB-CD1 3.86Å; L227-L249 PolarHBondContact N-O 3.33Å; L227-L250 HydrophobicContact CB-CD1 4.04Å; L227-L250 HydrophobicContact CD2-CD1 3.93Å; L227-L250 HydrophobicContact CG-CD1 3.9Å; L227-L250 WeakPolarHBondContact O-CA 3.28Å; L227-V251 PolarHBondContact O-N 3.46Å |
| 228 | N | 98.6 | Very high | 96.8 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.2 | 176.4 | -176.8 | 12.4 | 0 | 0 | 0 | 110.7 | L204 D205 L206 S207 A230 V251 | L204-N228 PolarHBondContact O-N 3.4Å; D205-N228 HydrophobicContact CB-CB 4.33Å; D205-N228 VanDerWaalsContact CG-ND2 3.34Å; D205-N228 PolarHBondContact OD1-ND2 3.27Å; D205-N228 WeakPolarHBondContact OD2-CB 3.32Å; D205-N228 PolarHBondContact OD2-ND2 2.96Å; L206-N228 PolarHBondContact N-O 3.14Å; S207-N228 WeakPolarHBondContact CB-ND2 3.39Å; S207-N228 WeakPolarHBondContact CB-OD1 3.32Å; S207-N228 PolarHBondContact N-O 2.66Å; S207-N228 PolarHBondContact OG-ND2 3.14Å; N228-A230 VanDerWaalsContact OD1-CB 3.29Å; N228-A230 WeakPolarHBondContact OD1-CB 3.41Å; N228-A230 PolarHBondContact OD1-N 2.98Å; N228-V251 HydrophobicContact CB-CB 4.3Å; N228-V251 HydrophobicContact CB-CG2 4.25Å; N228-V251 WeakPolarHBondContact OD1-CB 3.28Å |
| 229 | L | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -130.6 | 17 | -178.6 | -70.6 | 156.2 | 0 | 0 | 0 | 110.6 | L206 L211 I214 L227 N232 L234 L250 V251 L252 N255 | L206-L229 HydrophobicContact CB-CD2 4.13Å; L206-L229 HydrophobicContact CD1-CD2 4.26Å; L211-L229 HydrophobicContact CD1-CD2 4.22Å; I214-L229 HydrophobicContact CD1-CD1 3.48Å; I214-L229 VanDerWaalsContact CD1-CD1 3.48Å; I214-L229 HydrophobicContact CD1-CD2 3.88Å; I214-L229 HydrophobicContact CD1-CG 4.29Å; I214-L229 HydrophobicContact CG1-CD2 4.39Å; L227-L229 HydrophobicContact CD1-CD1 3.91Å; L227-L229 HydrophobicContact CD1-CG 3.95Å; L227-L229 HydrophobicContact CD2-CD1 3.82Å; L227-L229 HydrophobicContact CG-CD1 3.7Å; L227-L229 HydrophobicContact CG-CG 4.15Å; L229-N232 PolarHBondContact O-ND2 3.03Å; L229-N232 VanDerWaalsContact O-ND2 3.16Å; L229-L234 HydrophobicContact CB-CD1 4.05Å; L229-L234 HydrophobicContact CD2-CD1 4.49Å; L229-L250 HydrophobicContact CD1-CD1 4.45Å; L229-V251 PolarHBondContact N-O 3.2Å; L229-L252 HydrophobicContact CB-CD2 3.93Å; L229-L252 HydrophobicContact CD1-CD2 3.91Å; L229-N255 PolarHBondContact O-ND2 3.22Å | ||
| 230 | A | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | trans | -58.5 | 155.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S207 E208 N228 N232 V251 H253 | S207-A230 CarbonylContact C-O 3.46Å; S207-A230 WeakPolarHBondContact CA-O 3.12Å; S207-A230 VanDerWaalsContact CB-O 3.23Å; S207-A230 WeakPolarHBondContact CB-O 3.01Å; E208-A230 PolarHBondContact N-O 3.1Å; N228-A230 VanDerWaalsContact OD1-CB 3.29Å; N228-A230 WeakPolarHBondContact OD1-CB 3.41Å; N228-A230 PolarHBondContact OD1-N 2.98Å; A230-N232 PolarHBondContact O-N 2.66Å; A230-N232 PolarHBondContact O-ND2 3.03Å; A230-N232 VanDerWaalsContact O-ND2 3.09Å; A230-V251 HydrophobicContact CB-CG1 3.91Å; A230-H253 CarbonylContact C-O 3.29Å; A230-H253 VanDerWaalsContact CA-O 3.23Å; A230-H253 WeakPolarHBondContact CA-O 3.48Å | ||
| 231 | S | 98.3 | Very high | 96.7 | Very high | 45 Ų | 45 | 40.1 Ų | 40.1 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 53.9 | 50.7 | 174.6 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | E208 N209 H253 S254 | E208-S231 VanDerWaalsContact CA-O 3.31Å; E208-S231 WeakPolarHBondContact CA-O 3.43Å; E208-S231 PolarHBondContact N-O 3.14Å; N209-S231 PolarHBondContact N-O 3.35Å; S231-H253 PolarHBondContact N-O 3.03Å; S231-S254 VanDerWaalsContact CA-O 3.26Å; S231-S254 WeakPolarHBondContact CA-O 3.22Å; S231-S254 PolarHBondContact N-O 2.77Å |
| 232 | N | 98.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -122.5 | -168.6 | 173.5 | -85.3 | -85.6 | 0 | 0 | 0 | 109.2 | L206 N209 L210 L211 L229 A230 L234 N255 | L206-N232 PolarHBondContact O-ND2 3.12Å; N209-N232 WeakPolarHBondContact CA-OD1 3.26Å; N209-N232 WeakPolarHBondContact CB-OD1 3.47Å; N209-N232 PolarHBondContact O-OD1 2.86Å; L210-N232 PolarHBondContact N-OD1 3.15Å; L211-N232 HydrophobicContact CB-CB 4.29Å; L211-N232 VanDerWaalsContact CB-OD1 3.26Å; L211-N232 WeakPolarHBondContact CB-OD1 3.22Å; L211-N232 WeakPolarHBondContact CG-OD1 3.29Å; L211-N232 PolarHBondContact N-OD1 3Å; L229-N232 PolarHBondContact O-ND2 3.03Å; L229-N232 VanDerWaalsContact O-ND2 3.16Å; A230-N232 PolarHBondContact O-N 2.66Å; A230-N232 PolarHBondContact O-ND2 3.03Å; A230-N232 VanDerWaalsContact O-ND2 3.09Å; N232-L234 HydrophobicContact CB-CD1 4.46Å; N232-L234 HydrophobicContact CB-CG 4.12Å; N232-N255 WeakPolarHBondContact CA-OD1 3.27Å; N232-N255 WeakPolarHBondContact CB-OD1 3.49Å; N232-N255 PolarHBondContact N-OD1 3.48Å; N232-N255 PolarHBondContact O-OD1 3.13Å |
| 233 | R | 97.8 | Very high | 96.5 | Very high | 101 Ų | 101 | 34.4 Ų | 34.4 | 38% | 0.381 | 21% | 0.213 | S | C | . | . | trans | -108.7 | 15 | -177.7 | -60.7 | 177.4 | 178.2 | 163 | -2.2 | 113.3 | L211 D212 Q235 N255 L256 | L211-R233 CarbonylContact O-C 3.33Å; L211-R233 WeakPolarHBondContact O-CA 3.32Å; L211-R233 PolarHBondContact O-N 3.15Å; D212-R233 WeakPolarHBondContact OD1-CB 3.44Å; D212-R233 VanDerWaalsContact OD1-CD 3.29Å; D212-R233 WeakPolarHBondContact OD1-CD 3.26Å; R233-Q235 PolarHBondContact O-N 3.18Å; R233-N255 PolarHBondContact N-OD1 3Å; R233-L256 HydrophobicContact CB-CD1 4.46Å | ||
| 234 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -59.5 | 119.7 | -168.9 | -59.3 | 171.8 | 0 | 0 | 0 | 111.5 | L211 I214 L229 N232 L237 L252 N255 L256 L257 | L211-L234 HydrophobicContact CB-CD2 4.09Å; L211-L234 WeakPolarHBondContact O-CD2 3.04Å; L211-L234 PolarHBondContact O-N 3.2Å; I214-L234 HydrophobicContact CD1-CD1 3.8Å; I214-L234 HydrophobicContact CD1-CD2 4.07Å; I214-L234 HydrophobicContact CG1-CD1 4.3Å; I214-L234 HydrophobicContact CG1-CD2 3.66Å; L229-L234 HydrophobicContact CB-CD1 4.05Å; L229-L234 HydrophobicContact CD2-CD1 4.49Å; N232-L234 HydrophobicContact CB-CD1 4.46Å; N232-L234 HydrophobicContact CB-CG 4.12Å; L234-L237 HydrophobicContact CD1-CD2 4.24Å; L234-L252 HydrophobicContact CD1-CD2 4.17Å; L234-N255 HydrophobicContact CB-CB 4.36Å; L234-N255 VanDerWaalsContact CB-OD1 3.26Å; L234-N255 WeakPolarHBondContact CB-OD1 3.26Å; L234-N255 VanDerWaalsContact CG-OD1 3.27Å; L234-N255 WeakPolarHBondContact CG-OD1 3.29Å; L234-N255 PolarHBondContact N-OD1 3.42Å; L234-L256 CarbonylContact O-C 3.07Å; L234-L256 VanDerWaalsContact O-CA 3.26Å; L234-L256 WeakPolarHBondContact O-CA 3.35Å; L234-L256 PolarHBondContact O-N 3.46Å; L234-L257 HydrophobicContact CB-CD2 3.93Å; L234-L257 WeakPolarHBondContact O-CD2 3.44Å; L234-L257 PolarHBondContact O-N 2.93Å | ||
| 235 | Q | 95.6 | Very high | 96.2 | Very high | 114 Ų | 114 | 41 Ų | 41 | 53% | 0.533 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -93 | -24.9 | 179.4 | -57.3 | -178.3 | 30.9 | 0 | 0 | 112.9 | R233 L256 T258 | R233-Q235 PolarHBondContact O-N 3.18Å; Q235-L256 HydrophobicContact CG-CB 4.16Å; Q235-T258 PolarHBondContact O-N 3.37Å; Q235-T258 PolarHBondContact O-OG1 3.41Å |
| 236 | S | 94.8 | Very high | 96.1 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 43% | 0.434 | 24% | 0.238 | S | C | . | . | trans | -151.6 | 172.4 | 179 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 237 | L | 96 | Very high | 96 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | trans | -129.8 | 143.4 | 177.7 | -60.9 | 172 | 0 | 0 | 0 | 110.5 | I214 L234 L241 L252 L257 P261 | I214-L237 HydrophobicContact CD1-CD2 3.88Å; L234-L237 HydrophobicContact CD1-CD2 4.24Å; L237-L241 HydrophobicContact CB-CD1 3.88Å; L237-L241 HydrophobicContact CD1-CD1 4.11Å; L237-L241 HydrophobicContact CD2-CD1 4.14Å; L237-L241 HydrophobicContact CG-CD1 4.26Å; L237-L252 HydrophobicContact CD1-CD1 3.62Å; L237-L252 HydrophobicContact CD1-CD2 4.22Å; L237-L252 HydrophobicContact CD2-CD2 3.83Å; L237-L257 HydrophobicContact CD1-CD1 4.01Å; L237-L257 HydrophobicContact CD1-CD2 4.34Å; L237-L257 HydrophobicContact CD2-CD2 3.98Å; L237-L257 HydrophobicContact CG-CD1 4.28Å; L237-L257 HydrophobicContact CG-CD2 3.73Å; L237-P261 HydrophobicContact CB-CG 4Å | ||
| 238 | P | 95.5 | Very high | 96 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | trans | -69.4 | 136.6 | 176.4 | 30.3 | -34.6 | 0 | 0 | 0 | 110.5 | I214 I218 S240 L241 | I214-P238 HydrophobicContact CB-CG 4.35Å; I218-P238 HydrophobicContact CG2-CG 4.19Å; P238-S240 PolarHBondContact O-N 2.93Å; P238-L241 HydrophobicContact CG-CG 4.34Å; P238-L241 PolarHBondContact O-N 2.91Å; P238-L241 VanDerWaalsContact O-N 3.1Å | ||
| 239 | A | 93.9 | Very high | 96 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 61% | 0.612 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -60.1 | -20 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L241 A242 | A239-L241 PolarHBondContact O-N 2.96Å; A239-A242 WeakPolarHBondContact O-CB 3.42Å; A239-A242 PolarHBondContact O-N 3.06Å |
| 240 | S | 95.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -64.3 | -15 | 175.1 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | S216 G219 P238 A242 G243 | S216-S240 WeakPolarHBondContact CA-OG 3.18Å; S216-S240 WeakPolarHBondContact O-CB 3.26Å; S216-S240 PolarHBondContact O-OG 3.33Å; G219-S240 VanDerWaalsContact CA-O 3.27Å; G219-S240 WeakPolarHBondContact CA-O 3.31Å; P238-S240 PolarHBondContact O-N 2.93Å; S240-A242 PolarHBondContact O-N 3.4Å; S240-A242 VanDerWaalsContact O-N 3.16Å; S240-G243 WeakPolarHBondContact O-CA 3.11Å; S240-G243 PolarHBondContact O-N 3.31Å |
| 241 | L | 94.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -57.6 | -25.8 | 169.7 | -74 | 176.7 | 0 | 0 | 0 | 112.5 | I218 L227 L237 P238 A239 G243 L244 L264 | I218-L241 HydrophobicContact CG2-CD2 3.62Å; I218-L241 HydrophobicContact CG2-CG 4.3Å; L227-L241 HydrophobicContact CD2-CD2 4.02Å; L237-L241 HydrophobicContact CB-CD1 3.88Å; L237-L241 HydrophobicContact CD1-CD1 4.11Å; L237-L241 HydrophobicContact CD2-CD1 4.14Å; L237-L241 HydrophobicContact CG-CD1 4.26Å; P238-L241 HydrophobicContact CG-CG 4.34Å; P238-L241 PolarHBondContact O-N 2.91Å; P238-L241 VanDerWaalsContact O-N 3.1Å; A239-L241 PolarHBondContact O-N 2.96Å; L241-G243 PolarHBondContact O-N 2.85Å; L241-G243 VanDerWaalsContact O-N 3.17Å; L241-L244 HydrophobicContact CD2-CD1 3.57Å; L241-L244 WeakPolarHBondContact O-CB 3.47Å; L241-L244 WeakPolarHBondContact O-CG 3.22Å; L241-L244 PolarHBondContact O-N 3.36Å; L241-L244 VanDerWaalsContact O-N 3.11Å; L241-L264 HydrophobicContact CB-CD2 3.77Å |
| 242 | A | 91.5 | Very high | 95.9 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -65.2 | -11.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A239 S240 L244 | A239-A242 WeakPolarHBondContact O-CB 3.42Å; A239-A242 PolarHBondContact O-N 3.06Å; S240-A242 PolarHBondContact O-N 3.4Å; S240-A242 VanDerWaalsContact O-N 3.16Å; A242-L244 VanDerWaalsContact C-N 3.33Å |
| 243 | G | 91.1 | Very high | 95.9 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 36% | 0.361 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -76 | -15.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S240 L241 R245 | S240-G243 WeakPolarHBondContact O-CA 3.11Å; S240-G243 PolarHBondContact O-N 3.31Å; L241-G243 PolarHBondContact O-N 2.85Å; L241-G243 VanDerWaalsContact O-N 3.17Å; G243-R245 PolarHBondContact O-N 2.96Å |
| 244 | L | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -76.6 | 64.5 | -176.4 | -60.7 | 178.4 | 0 | 0 | 0 | 112.5 | I218 L221 L224 L227 L241 A242 S246 L247 | I218-L244 WeakPolarHBondContact O-CD2 3.48Å; L221-L244 HydrophobicContact CB-CD2 3.94Å; L221-L244 VanDerWaalsContact O-CD2 3.32Å; L221-L244 WeakPolarHBondContact O-CD2 3.31Å; L224-L244 HydrophobicContact CB-CD2 4.37Å; L224-L244 HydrophobicContact CD2-CD1 4.2Å; L224-L244 HydrophobicContact CD2-CD2 4.44Å; L227-L244 HydrophobicContact CD2-CD1 4.13Å; L241-L244 HydrophobicContact CD2-CD1 3.57Å; L241-L244 WeakPolarHBondContact O-CB 3.47Å; L241-L244 WeakPolarHBondContact O-CG 3.22Å; L241-L244 PolarHBondContact O-N 3.36Å; L241-L244 VanDerWaalsContact O-N 3.11Å; A242-L244 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.32Å; L244-L247 HydrophobicContact CB-CB 3.93Å; L244-L247 HydrophobicContact CB-CD2 4.25Å; L244-L247 HydrophobicContact CD1-CD2 4Å; L244-L247 WeakPolarHBondContact O-CB 3.43Å; L244-L247 PolarHBondContact O-N 2.93Å | ||
| 245 | R | 92.8 | Very high | 95.9 | Very high | 188 Ų | 188 | 43.1 Ų | 43.1 | 71% | 0.709 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.4 | -173.5 | -66.9 | -177.4 | 179.8 | -174.6 | -0.6 | 115.2 | G243 | G243-R245 PolarHBondContact O-N 2.96Š|
| 246 | S | 96.6 | Very high | 96 | Very high | 42 Ų | 42 | 41.1 Ų | 41.1 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -6.9 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | R222 L224 L244 R248 | R222-S246 VanDerWaalsContact O-CB 3.27Å; R222-S246 WeakPolarHBondContact O-CB 3.23Å; R222-S246 PolarHBondContact O-OG 2.88Å; L224-S246 CarbonylContact O-C 3.15Å; L224-S246 WeakPolarHBondContact O-CB 3.35Å; L244-S246 PolarHBondContact O-N 3.32Å; S246-R248 PolarHBondContact O-N 3.03Å |
| 247 | L | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -70.2 | 124.2 | -169 | -164.4 | 69.2 | 0 | 0 | 0 | 111.8 | L224 L227 L244 L250 L267 L269 I270 | L224-L247 HydrophobicContact CD2-CD1 4.47Å; L224-L247 HydrophobicContact CG-CD1 4.37Å; L224-L247 VanDerWaalsContact O-CA 3.31Å; L224-L247 WeakPolarHBondContact O-CA 3.17Å; L224-L247 PolarHBondContact O-N 2.89Å; L224-L247 VanDerWaalsContact O-N 3.14Å; L227-L247 HydrophobicContact CB-CD1 3.86Å; L244-L247 HydrophobicContact CB-CB 3.93Å; L244-L247 HydrophobicContact CB-CD2 4.25Å; L244-L247 HydrophobicContact CD1-CD2 4Å; L244-L247 WeakPolarHBondContact O-CB 3.43Å; L244-L247 PolarHBondContact O-N 2.93Å; L247-L250 HydrophobicContact CD2-CB 3.98Å; L247-L250 HydrophobicContact CD2-CD2 4.04Å; L247-L250 HydrophobicContact CD2-CG 4.4Å; L247-L267 HydrophobicContact CD2-CD1 4.09Å; L247-L269 CarbonylContact O-C 3.47Å; L247-L269 VanDerWaalsContact O-C 3.28Å; L247-I270 HydrophobicContact CD2-CD1 4.4Å; L247-I270 HydrophobicContact CG-CD1 4.29Å; L247-I270 WeakPolarHBondContact O-CA 3.21Å; L247-I270 PolarHBondContact O-N 3.12Å | ||
| 248 | R | 97.3 | Very high | 95.9 | Very high | 119 Ų | 119 | 41 Ų | 41 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | trans | -106.6 | -37.1 | 178.7 | -56.8 | -178.3 | 177.5 | -78 | 1.9 | 111.7 | S225 S246 L269 T271 R272 | S225-R248 WeakPolarHBondContact O-CA 3.26Å; S225-R248 WeakPolarHBondContact O-CB 3.33Å; S225-R248 PolarHBondContact O-N 3.32Å; S246-R248 PolarHBondContact O-N 3.03Å; R248-L269 WeakPolarHBondContact CA-O 3.27Å; R248-L269 HydrophobicContact CG-CB 4.47Å; R248-T271 PolarHBondContact O-N 2.91Å; R248-T271 PolarHBondContact O-OG1 3.2Å; R248-T271 VanDerWaalsContact O-OG1 3.1Å; R248-R272 PolarHBondContact O-N 2.91Å | ||
| 249 | L | 97.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 119.7 | -172.8 | -176.6 | 153.5 | 0 | 0 | 0 | 109.3 | S225 E226 L227 V251 R272 | S225-L249 PolarHBondContact O-N 3.16Å; E226-L249 WeakPolarHBondContact CA-O 3.18Å; E226-L249 HydrophobicContact CB-CB 4.49Å; E226-L249 HydrophobicContact CB-CD2 4.45Å; E226-L249 HydrophobicContact CG-CB 4.17Å; L227-L249 PolarHBondContact N-O 3.33Å; L249-V251 HydrophobicContact CD2-CG2 3.39Å; L249-V251 HydrophobicContact CG-CG2 4.4Å; L249-R272 HydrophobicContact CG-CB 4.43Å |
| 250 | L | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 115.1 | 174.8 | -179.3 | 49.8 | 0 | 0 | 0 | 109.1 | L227 L229 L247 L252 L264 I270 R272 L273 D274 | L227-L250 HydrophobicContact CB-CD1 4.04Å; L227-L250 HydrophobicContact CD2-CD1 3.93Å; L227-L250 HydrophobicContact CG-CD1 3.9Å; L227-L250 WeakPolarHBondContact O-CA 3.28Å; L229-L250 HydrophobicContact CD1-CD1 4.45Å; L247-L250 HydrophobicContact CD2-CB 3.98Å; L247-L250 HydrophobicContact CD2-CD2 4.04Å; L247-L250 HydrophobicContact CD2-CG 4.4Å; L250-L252 HydrophobicContact CD1-CD1 4.06Å; L250-L252 HydrophobicContact CD1-CD2 4.4Å; L250-L252 HydrophobicContact CD1-CG 3.95Å; L250-L252 HydrophobicContact CD2-CD1 3.87Å; L250-L252 HydrophobicContact CG-CD1 3.72Å; L250-L252 HydrophobicContact CG-CG 4.03Å; L250-L264 HydrophobicContact CD2-CD1 3.92Å; L250-I270 HydrophobicContact CB-CD1 4.2Å; L250-R272 PolarHBondContact N-O 3.16Å; L250-L273 HydrophobicContact CB-CD1 4.04Å; L250-L273 HydrophobicContact CD2-CD1 3.86Å; L250-L273 HydrophobicContact CG-CD1 3.91Å; L250-L273 WeakPolarHBondContact O-CA 3.22Å; L250-D274 PolarHBondContact O-N 2.96Å |
| 251 | V | 98.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.1 | 176.4 | -159.3 | 0 | 0 | 0 | 0 | 109.4 | L227 N228 L229 A230 L249 H253 D274 | L227-V251 PolarHBondContact O-N 3.46Å; N228-V251 HydrophobicContact CB-CB 4.3Å; N228-V251 HydrophobicContact CB-CG2 4.25Å; N228-V251 WeakPolarHBondContact OD1-CB 3.28Å; L229-V251 PolarHBondContact N-O 3.2Å; A230-V251 HydrophobicContact CB-CG1 3.91Å; L249-V251 HydrophobicContact CD2-CG2 3.39Å; L249-V251 HydrophobicContact CG-CG2 4.4Å; V251-H253 WeakPolarHBondContact CG1-CD2 3.4Å; V251-D274 HydrophobicContact CG1-CB 4.01Å |
| 252 | L | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -135.2 | 9.8 | -175.9 | -73.2 | 164.2 | 0 | 0 | 0 | 111.6 | L229 L234 L237 L250 N255 L257 L273 D274 L275 N278 | L229-L252 HydrophobicContact CB-CD2 3.93Å; L229-L252 HydrophobicContact CD1-CD2 3.91Å; L234-L252 HydrophobicContact CD1-CD2 4.17Å; L237-L252 HydrophobicContact CD1-CD1 3.62Å; L237-L252 HydrophobicContact CD1-CD2 4.22Å; L237-L252 HydrophobicContact CD2-CD2 3.83Å; L250-L252 HydrophobicContact CD1-CD1 4.06Å; L250-L252 HydrophobicContact CD1-CD2 4.4Å; L250-L252 HydrophobicContact CD1-CG 3.95Å; L250-L252 HydrophobicContact CD2-CD1 3.87Å; L250-L252 HydrophobicContact CG-CD1 3.72Å; L250-L252 HydrophobicContact CG-CG 4.03Å; L252-N255 WeakPolarHBondContact O-CB 3.41Å; L252-N255 PolarHBondContact O-ND2 3.48Å; L252-L257 HydrophobicContact CB-CD1 4.1Å; L252-L257 HydrophobicContact CD1-CD1 4.26Å; L252-L257 HydrophobicContact CD2-CD1 4.33Å; L252-L257 HydrophobicContact CG-CD1 4.49Å; L252-L273 HydrophobicContact CD1-CD1 4.21Å; L252-D274 CarbonylContact C-O 3.58Å; L252-D274 WeakPolarHBondContact CA-O 3.23Å; L252-D274 PolarHBondContact N-O 3.11Å; L252-L275 HydrophobicContact CB-CD2 3.95Å; L252-L275 HydrophobicContact CD1-CD2 3.66Å; L252-L275 HydrophobicContact CG-CD2 4.49Å; L252-N278 PolarHBondContact O-ND2 3.16Å | ||
| 253 | H | 97.7 | Very high | 94.7 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 20% | 0.199 | 24% | 0.24 | C | C | . | . | trans | -65.4 | 158.3 | -173.4 | 71.4 | 72.2 | 0 | 0 | 0 | 112.5 | A230 S231 V251 N255 D274 R276 | A230-H253 CarbonylContact C-O 3.29Å; A230-H253 VanDerWaalsContact CA-O 3.23Å; A230-H253 WeakPolarHBondContact CA-O 3.48Å; S231-H253 PolarHBondContact N-O 3.03Å; V251-H253 WeakPolarHBondContact CG1-CD2 3.4Å; H253-N255 PolarHBondContact O-ND2 2.94Å; H253-D274 PolarHBondContact N-O 3.08Å; H253-R276 CarbonylContact C-O 3.18Å; H253-R276 WeakPolarHBondContact CA-O 3.3Å; H253-R276 HydrophobicContact CB-CB 3.89Å; H253-R276 VanDerWaalsContact CB-O 3.32Å; H253-R276 WeakPolarHBondContact CB-O 3.48Å; H253-R276 PolarHBondContact CD2-NH2 3.16Å; H253-R276 VanDerWaalsContact CD2-NH2 3.27Å | ||
| 254 | S | 98.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 60 | 48.2 | 177.6 | -42.9 | 0 | 0 | 0 | 0 | 112.1 | S231 R276 D277 | S231-S254 VanDerWaalsContact CA-O 3.26Å; S231-S254 WeakPolarHBondContact CA-O 3.22Å; S231-S254 PolarHBondContact N-O 2.77Å; S254-R276 PolarHBondContact N-O 3.22Å; S254-D277 VanDerWaalsContact CA-O 3.23Å; S254-D277 WeakPolarHBondContact CA-O 3.25Å; S254-D277 PolarHBondContact N-O 3.02Å |
| 255 | N | 98.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -125.9 | -172.1 | 178.1 | -88.8 | -85.2 | 0 | 0 | 0 | 110.2 | L229 N232 R233 L234 L252 H253 L257 D277 N278 | L229-N255 PolarHBondContact O-ND2 3.22Å; N232-N255 WeakPolarHBondContact CA-OD1 3.27Å; N232-N255 WeakPolarHBondContact CB-OD1 3.49Å; N232-N255 PolarHBondContact N-OD1 3.48Å; N232-N255 PolarHBondContact O-OD1 3.13Å; R233-N255 PolarHBondContact N-OD1 3Å; L234-N255 HydrophobicContact CB-CB 4.36Å; L234-N255 VanDerWaalsContact CB-OD1 3.26Å; L234-N255 WeakPolarHBondContact CB-OD1 3.26Å; L234-N255 VanDerWaalsContact CG-OD1 3.27Å; L234-N255 WeakPolarHBondContact CG-OD1 3.29Å; L234-N255 PolarHBondContact N-OD1 3.42Å; L252-N255 WeakPolarHBondContact O-CB 3.41Å; L252-N255 PolarHBondContact O-ND2 3.48Å; H253-N255 PolarHBondContact O-ND2 2.94Å; N255-L257 HydrophobicContact CB-CG 4.28Å; N255-D277 PolarHBondContact N-O 3.07Å; N255-N278 WeakPolarHBondContact CA-OD1 3.31Å; N255-N278 WeakPolarHBondContact CB-OD1 3.28Å; N255-N278 PolarHBondContact O-OD1 2.64Å |
| 256 | L | 97.3 | Very high | 93.4 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 38% | 0.382 | 23% | 0.234 | S | C | . | . | trans | -108.8 | 19.2 | -178.3 | -59 | 179.7 | 0 | 0 | 0 | 112.9 | R233 L234 Q235 T258 | R233-L256 HydrophobicContact CB-CD1 4.46Å; L234-L256 CarbonylContact O-C 3.07Å; L234-L256 VanDerWaalsContact O-CA 3.26Å; L234-L256 WeakPolarHBondContact O-CA 3.35Å; L234-L256 PolarHBondContact O-N 3.46Å; Q235-L256 HydrophobicContact CG-CB 4.16Å; L256-T258 PolarHBondContact O-N 3.14Å | ||
| 257 | L | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -61.8 | 125 | -170.4 | -63 | 175.1 | 0 | 0 | 0 | 111.1 | L234 L237 L252 N255 L275 N278 R279 L280 | L234-L257 HydrophobicContact CB-CD2 3.93Å; L234-L257 WeakPolarHBondContact O-CD2 3.44Å; L234-L257 PolarHBondContact O-N 2.93Å; L237-L257 HydrophobicContact CD1-CD1 4.01Å; L237-L257 HydrophobicContact CD1-CD2 4.34Å; L237-L257 HydrophobicContact CD2-CD2 3.98Å; L237-L257 HydrophobicContact CG-CD1 4.28Å; L237-L257 HydrophobicContact CG-CD2 3.73Å; L252-L257 HydrophobicContact CB-CD1 4.1Å; L252-L257 HydrophobicContact CD1-CD1 4.26Å; L252-L257 HydrophobicContact CD2-CD1 4.33Å; L252-L257 HydrophobicContact CG-CD1 4.49Å; N255-L257 HydrophobicContact CB-CG 4.28Å; L257-L275 HydrophobicContact CD1-CD2 3.97Å; L257-N278 HydrophobicContact CB-CB 4.38Å; L257-N278 WeakPolarHBondContact CB-OD1 3.35Å; L257-N278 VanDerWaalsContact CG-OD1 3.26Å; L257-N278 WeakPolarHBondContact CG-OD1 3.45Å; L257-N278 PolarHBondContact N-OD1 3.29Å; L257-R279 CarbonylContact O-C 3.28Å; L257-R279 WeakPolarHBondContact O-CA 3.46Å; L257-R279 WeakPolarHBondContact O-CB 3.49Å; L257-R279 PolarHBondContact O-N 3.2Å; L257-L280 HydrophobicContact CB-CD2 4Å; L257-L280 WeakPolarHBondContact O-CD2 3.28Å; L257-L280 PolarHBondContact O-N 3.22Å; L257-L280 VanDerWaalsContact O-N 3.08Å | ||
| 258 | T | 93.5 | Very high | 92.8 | Very high | 75 Ų | 75 | 44.7 Ų | 44.7 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -94.8 | -24.1 | 176.9 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | Q235 L256 R279 | Q235-T258 PolarHBondContact O-N 3.37Å; Q235-T258 PolarHBondContact O-OG1 3.41Å; L256-T258 PolarHBondContact O-N 3.14Å; T258-R279 HydrophobicContact CG2-CB 4.43Å |
| 259 | S | 91.7 | Very high | 92.7 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | trans | -152.3 | 165.6 | 178.5 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 260 | V | 92.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | trans | -129.7 | 138.1 | 180 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | T262 L264 L275 L280 L283 L287 | V260-T262 PolarHBondContact O-N 3.25Å; V260-L264 HydrophobicContact CG1-CB 4.47Å; V260-L264 HydrophobicContact CG1-CD1 3.53Å; V260-L264 HydrophobicContact CG1-CG 4.13Å; V260-L275 HydrophobicContact CG2-CD1 4Å; V260-L275 HydrophobicContact CG2-CD2 3.89Å; V260-L280 HydrophobicContact CG2-CD1 4.04Å; V260-L280 HydrophobicContact CG2-CD2 3.75Å; V260-L283 HydrophobicContact CB-CD2 4.1Å; V260-L283 HydrophobicContact CG2-CD2 4.02Å; V260-L287 HydrophobicContact CG1-CD1 4.39Å | ||
| 261 | P | 90.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | trans | -60.2 | 127.8 | 177.4 | -24.7 | 34.5 | 0 | 0 | 0 | 112.6 | L237 G263 L264 | L237-P261 HydrophobicContact CB-CG 4Å; P261-G263 PolarHBondContact O-N 3.33Å; P261-L264 WeakPolarHBondContact O-CG 3.43Å; P261-L264 PolarHBondContact O-N 3.39Å | ||
| 262 | T | 84.2 | Confident | 92.2 | Very high | 101 Ų | 101 | 48.8 Ų | 48.8 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -58.1 | -23 | 178.9 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | V260 L264 V265 H266 | V260-T262 PolarHBondContact O-N 3.25Å; T262-L264 PolarHBondContact O-N 3.07Å; T262-V265 WeakPolarHBondContact O-CG2 3.27Å; T262-V265 PolarHBondContact O-N 2.84Å; T262-H266 PolarHBondContact O-ND1 2.81Å |
| 263 | G | 85.6 | Confident | 92.1 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -63.5 | -21 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | P261 V265 H266 | P261-G263 PolarHBondContact O-N 3.33Å; G263-V265 VanDerWaalsContact C-N 3.25Å; G263-V265 PolarHBondContact O-N 3.11Å; G263-H266 PolarHBondContact O-N 2.84Å; G263-H266 VanDerWaalsContact O-N 3.07Å |
| 264 | L | 87.5 | Confident | 92.1 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -66.7 | -26.4 | 178.3 | -60.9 | -163.1 | 0 | 0 | 0 | 113.1 | L241 L250 V260 P261 T262 H266 L267 | L241-L264 HydrophobicContact CB-CD2 3.77Å; L250-L264 HydrophobicContact CD2-CD1 3.92Å; V260-L264 HydrophobicContact CG1-CB 4.47Å; V260-L264 HydrophobicContact CG1-CD1 3.53Å; V260-L264 HydrophobicContact CG1-CG 4.13Å; P261-L264 WeakPolarHBondContact O-CG 3.43Å; P261-L264 PolarHBondContact O-N 3.39Å; T262-L264 PolarHBondContact O-N 3.07Å; L264-H266 PolarHBondContact O-N 3.17Å; L264-L267 HydrophobicContact CD2-CD1 4.01Å; L264-L267 PolarHBondContact O-N 2.94Å |
| 265 | V | 81.6 | Confident | 92 | Very high | 41 Ų | 41 | 44.7 Ų | 44.7 | 25% | 0.248 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -59.7 | -28.7 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | T262 G263 P284 E286 L287 | T262-V265 WeakPolarHBondContact O-CG2 3.27Å; T262-V265 PolarHBondContact O-N 2.84Å; G263-V265 VanDerWaalsContact C-N 3.25Å; G263-V265 PolarHBondContact O-N 3.11Å; V265-P284 HydrophobicContact CG2-CG 4.39Å; V265-E286 HydrophobicContact CG1-CB 3.74Å; V265-E286 HydrophobicContact CG2-CB 4.48Å; V265-L287 HydrophobicContact CG2-CD1 4.19Å; V265-L287 HydrophobicContact CG2-CD2 3.77Å; V265-L287 HydrophobicContact CG2-CG 3.69Å |
| 266 | H | 83.6 | Confident | 92 | Very high | 147 Ų | 147 | 46.8 Ų | 46.8 | 68% | 0.681 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -96 | 8.6 | -170.8 | -59.6 | 82.5 | 0 | 0 | 0 | 113.2 | T262 G263 L264 P268 | T262-H266 PolarHBondContact O-ND1 2.81Å; G263-H266 PolarHBondContact O-N 2.84Å; G263-H266 VanDerWaalsContact O-N 3.07Å; L264-H266 PolarHBondContact O-N 3.17Å; H266-P268 WeakPolarHBondContact O-CD 3.34Å |
| 267 | L | 90.9 | Very high | 92 | Very high | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | trans | -73.8 | 114.3 | 177.3 | -71.3 | 178.8 | 0 | 0 | 0 | 110.4 | L247 L264 L269 I270 | L247-L267 HydrophobicContact CD2-CD1 4.09Å; L264-L267 HydrophobicContact CD2-CD1 4.01Å; L264-L267 PolarHBondContact O-N 2.94Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 PolarHBondContact O-N 3.48Å; L267-L269 VanDerWaalsContact O-N 3.14Å; L267-I270 HydrophobicContact CB-CB 4.05Å; L267-I270 HydrophobicContact CB-CG2 4.24Å; L267-I270 HydrophobicContact CD1-CD1 4.46Å; L267-I270 WeakPolarHBondContact O-CG2 3.4Å | ||
| 268 | P | 89.7 | Confident | 92 | Very high | 95 Ų | 95 | 47 Ų | 47 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -8.5 | -163.9 | 30.7 | -37.5 | 0 | 0 | 0 | 114.9 | H266 | H266-P268 WeakPolarHBondContact O-CD 3.34Š|
| 269 | L | 94.6 | Very high | 92.2 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 37% | 0.372 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 6.5 | -175 | -66 | 178.9 | 0 | 0 | 0 | 113.6 | L247 R248 L267 T271 | L247-L269 CarbonylContact O-C 3.47Å; L247-L269 VanDerWaalsContact O-C 3.28Å; R248-L269 WeakPolarHBondContact CA-O 3.27Å; R248-L269 HydrophobicContact CG-CB 4.47Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 PolarHBondContact O-N 3.48Å; L267-L269 VanDerWaalsContact O-N 3.14Å; L269-T271 PolarHBondContact O-N 2.97Å |
| 270 | I | 94.4 | Very high | 92.3 | Very high | 20 Ų | 20 | 47 Ų | 47 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | trans | -67.5 | 124.1 | -176.8 | -161.3 | 68.8 | 0 | 0 | 0 | 110.4 | L247 L250 L267 F292 | L247-I270 HydrophobicContact CD2-CD1 4.4Å; L247-I270 HydrophobicContact CG-CD1 4.29Å; L247-I270 WeakPolarHBondContact O-CA 3.21Å; L247-I270 PolarHBondContact O-N 3.12Å; L250-I270 HydrophobicContact CB-CD1 4.2Å; L267-I270 HydrophobicContact CB-CB 4.05Å; L267-I270 HydrophobicContact CB-CG2 4.24Å; L267-I270 HydrophobicContact CD1-CD1 4.46Å; L267-I270 WeakPolarHBondContact O-CG2 3.4Å; I270-F292 HydrophobicContact CG1-CD2 4.45Å; I270-F292 HydrophobicContact CG1-CE2 4.49Å; I270-F292 HydrophobicContact CG2-CD2 4.13Å; I270-F292 HydrophobicContact CG2-CE2 3.7Å; I270-F292 HydrophobicContact CG2-CZ 3.94Å | ||
| 271 | T | 94.7 | Very high | 92.2 | Very high | 94 Ų | 94 | 49.2 Ų | 49.2 | 58% | 0.577 | 25% | 0.253 | S | S | * | . | trans | -117.3 | -15.3 | 178.6 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | R248 L269 F292 | R248-T271 PolarHBondContact O-N 2.91Å; R248-T271 PolarHBondContact O-OG1 3.2Å; R248-T271 VanDerWaalsContact O-OG1 3.1Å; L269-T271 PolarHBondContact O-N 2.97Å; T271-F292 WeakPolarHBondContact O-CB 3.42Å | ||
| 272 | R | 95.8 | Very high | 92 | Very high | 81 Ų | 81 | 54.4 Ų | 54.4 | 31% | 0.306 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 126.4 | 171.4 | -178.6 | 173.6 | 175.8 | -179.4 | -6.2 | 111.5 | R248 L249 L250 D274 F292 | R248-R272 PolarHBondContact O-N 2.91Å; L249-R272 HydrophobicContact CG-CB 4.43Å; L250-R272 PolarHBondContact N-O 3.16Å; R272-D274 HydrophobicContact CG-CB 4.49Å; R272-D274 IonicContact CZ-OD2 2.7Å; R272-D274 IonicContact NE-OD2 3.95Å; R272-D274 PolarHBondContact NE-OD2 3.23Å; R272-D274 IonicContact NH2-OD2 3.46Å; R272-D274 PolarHBondContact NH2-OD2 3.16Å; R272-F292 WeakPolarHBondContact CA-O 3.27Å |
| 273 | L | 96.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 103.5 | 169.3 | 174.9 | 55.3 | 0 | 0 | 0 | 108.8 | L250 L252 L275 L287 F292 V293 R294 | L250-L273 HydrophobicContact CB-CD1 4.04Å; L250-L273 HydrophobicContact CD2-CD1 3.86Å; L250-L273 HydrophobicContact CG-CD1 3.91Å; L250-L273 WeakPolarHBondContact O-CA 3.22Å; L252-L273 HydrophobicContact CD1-CD1 4.21Å; L273-L275 HydrophobicContact CD1-CD1 4.16Å; L273-L275 HydrophobicContact CD1-CD2 4.32Å; L273-L275 HydrophobicContact CD1-CG 3.94Å; L273-L275 HydrophobicContact CD2-CD1 3.9Å; L273-L275 HydrophobicContact CG-CD1 3.81Å; L273-L275 HydrophobicContact CG-CG 3.96Å; L273-L287 HydrophobicContact CD2-CD2 4.05Å; L273-F292 HydrophobicContact CB-CD2 4.14Å; L273-F292 HydrophobicContact CB-CE2 4.46Å; L273-F292 PolarHBondContact N-O 2.95Å; L273-V293 HydrophobicContact CB-CG2 4.31Å; L273-V293 HydrophobicContact CD2-CG1 4.32Å; L273-V293 HydrophobicContact CD2-CG2 4.25Å; L273-V293 HydrophobicContact CG-CG1 4.29Å; L273-V293 CarbonylContact O-C 3.48Å; L273-V293 VanDerWaalsContact O-CA 3.31Å; L273-V293 WeakPolarHBondContact O-CA 3.26Å; L273-R294 PolarHBondContact O-N 3.2Å |
| 274 | D | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 95.4 | -172.9 | -157.3 | -24 | 0 | 0 | 0 | 111 | L250 V251 L252 H253 R272 R276 | L250-D274 PolarHBondContact O-N 2.96Å; V251-D274 HydrophobicContact CG1-CB 4.01Å; L252-D274 CarbonylContact C-O 3.58Å; L252-D274 WeakPolarHBondContact CA-O 3.23Å; L252-D274 PolarHBondContact N-O 3.11Å; H253-D274 PolarHBondContact N-O 3.08Å; R272-D274 HydrophobicContact CG-CB 4.49Å; R272-D274 IonicContact CZ-OD2 2.7Å; R272-D274 IonicContact NE-OD2 3.95Å; R272-D274 PolarHBondContact NE-OD2 3.23Å; R272-D274 IonicContact NH2-OD2 3.46Å; R272-D274 PolarHBondContact NH2-OD2 3.16Å; D274-R276 WeakPolarHBondContact OD1-CG 3.4Å; D274-R276 IonicContact OD1-CZ 3.4Å; D274-R276 IonicContact OD1-NE 2.72Å; D274-R276 PolarHBondContact OD1-NE 3.37Å; D274-R276 IonicContact OD1-NH2 3.26Å; D274-R276 PolarHBondContact OD1-NH2 3.34Å; D274-R276 IonicContact OD2-CZ 3.61Å; D274-R276 IonicContact OD2-NE 3.46Å; D274-R276 PolarHBondContact OD2-NE 3.21Å; D274-R276 IonicContact OD2-NH2 2.85Å; D274-R276 PolarHBondContact OD2-NH2 2.92Å |
| 275 | L | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -106.5 | 18.5 | -174.9 | -72 | 165.9 | 0 | 0 | 0 | 112.4 | L252 L257 V260 L273 N278 L280 V293 R294 L295 N298 | L252-L275 HydrophobicContact CB-CD2 3.95Å; L252-L275 HydrophobicContact CD1-CD2 3.66Å; L252-L275 HydrophobicContact CG-CD2 4.49Å; L257-L275 HydrophobicContact CD1-CD2 3.97Å; V260-L275 HydrophobicContact CG2-CD1 4Å; V260-L275 HydrophobicContact CG2-CD2 3.89Å; L273-L275 HydrophobicContact CD1-CD1 4.16Å; L273-L275 HydrophobicContact CD1-CD2 4.32Å; L273-L275 HydrophobicContact CD1-CG 3.94Å; L273-L275 HydrophobicContact CD2-CD1 3.9Å; L273-L275 HydrophobicContact CG-CD1 3.81Å; L273-L275 HydrophobicContact CG-CG 3.96Å; L275-N278 PolarHBondContact O-ND2 3.37Å; L275-L280 HydrophobicContact CB-CD1 4.06Å; L275-L280 HydrophobicContact CD1-CD1 4.21Å; L275-L280 HydrophobicContact CD2-CD1 4.35Å; L275-L280 HydrophobicContact CG-CD1 4.46Å; L275-V293 HydrophobicContact CD1-CG1 4.12Å; L275-R294 CarbonylContact C-O 3.45Å; L275-R294 VanDerWaalsContact C-O 3.29Å; L275-R294 WeakPolarHBondContact CA-O 3.39Å; L275-R294 WeakPolarHBondContact CB-O 3.41Å; L275-R294 PolarHBondContact N-O 3.21Å; L275-L295 HydrophobicContact CB-CD2 4.08Å; L275-L295 HydrophobicContact CD1-CD2 4.05Å; L275-N298 PolarHBondContact O-ND2 3.25Å | ||
| 276 | R | 97.5 | Very high | 92.2 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 19% | 0.185 | 30% | 0.295 | C | S | . | . | trans | -61.1 | 157.2 | -175.5 | -67.2 | 178.9 | -71.2 | 121.3 | 7.6 | 112.6 | H253 S254 D274 N278 R294 Q296 | H253-R276 CarbonylContact C-O 3.18Å; H253-R276 WeakPolarHBondContact CA-O 3.3Å; H253-R276 HydrophobicContact CB-CB 3.89Å; H253-R276 VanDerWaalsContact CB-O 3.32Å; H253-R276 WeakPolarHBondContact CB-O 3.48Å; H253-R276 PolarHBondContact CD2-NH2 3.16Å; H253-R276 VanDerWaalsContact CD2-NH2 3.27Å; S254-R276 PolarHBondContact N-O 3.22Å; D274-R276 WeakPolarHBondContact OD1-CG 3.4Å; D274-R276 IonicContact OD1-CZ 3.4Å; D274-R276 IonicContact OD1-NE 2.72Å; D274-R276 PolarHBondContact OD1-NE 3.37Å; D274-R276 IonicContact OD1-NH2 3.26Å; D274-R276 PolarHBondContact OD1-NH2 3.34Å; D274-R276 IonicContact OD2-CZ 3.61Å; D274-R276 IonicContact OD2-NE 3.46Å; D274-R276 PolarHBondContact OD2-NE 3.21Å; D274-R276 IonicContact OD2-NH2 2.85Å; D274-R276 PolarHBondContact OD2-NH2 2.92Å; R276-N278 PolarHBondContact O-N 3.22Å; R276-N278 PolarHBondContact O-ND2 3.26Å; R276-R294 HydrophobicContact CG-CB 3.72Å; R276-R294 PolarHBondContact N-O 3.19Å; R276-Q296 CarbonylContact C-O 3.58Å; R276-Q296 WeakPolarHBondContact CA-O 3.26Å; R276-Q296 VanDerWaalsContact CB-O 3.32Å; R276-Q296 WeakPolarHBondContact CB-O 3.26Å; R276-Q296 HydrophobicContact CG-CB 4Å | ||
| 277 | D | 97.3 | Very high | 92.3 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 52.7 | 51.8 | 171.1 | -47.2 | -55.5 | 0 | 0 | 0 | 112.6 | S254 N255 Q296 | S254-D277 VanDerWaalsContact CA-O 3.23Å; S254-D277 WeakPolarHBondContact CA-O 3.25Å; S254-D277 PolarHBondContact N-O 3.02Å; N255-D277 PolarHBondContact N-O 3.07Å; D277-Q296 PolarHBondContact N-O 3.3Å |
| 278 | N | 97.4 | Very high | 92 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -124.7 | -168.3 | -179.6 | -92.1 | -88.2 | 0 | 0 | 0 | 110.5 | L252 N255 L257 L275 R276 L280 N298 | L252-N278 PolarHBondContact O-ND2 3.16Å; N255-N278 WeakPolarHBondContact CA-OD1 3.31Å; N255-N278 WeakPolarHBondContact CB-OD1 3.28Å; N255-N278 PolarHBondContact O-OD1 2.64Å; L257-N278 HydrophobicContact CB-CB 4.38Å; L257-N278 WeakPolarHBondContact CB-OD1 3.35Å; L257-N278 VanDerWaalsContact CG-OD1 3.26Å; L257-N278 WeakPolarHBondContact CG-OD1 3.45Å; L257-N278 PolarHBondContact N-OD1 3.29Å; L275-N278 PolarHBondContact O-ND2 3.37Å; R276-N278 PolarHBondContact O-N 3.22Å; R276-N278 PolarHBondContact O-ND2 3.26Å; N278-L280 HydrophobicContact CB-CG 4.27Å; N278-N298 VanDerWaalsContact CA-OD1 3.29Å; N278-N298 WeakPolarHBondContact CA-OD1 3.37Å; N278-N298 WeakPolarHBondContact CB-OD1 3.09Å; N278-N298 PolarHBondContact O-OD1 3.1Å |
| 279 | R | 96 | Very high | 91.7 | Very high | 140 Ų | 140 | 57.1 Ų | 57.1 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | trans | -115.2 | 25.3 | -176.8 | -57.1 | -58.1 | -177.6 | -173.4 | 0.6 | 113.1 | L257 T258 N298 | L257-R279 CarbonylContact O-C 3.28Å; L257-R279 WeakPolarHBondContact O-CA 3.46Å; L257-R279 WeakPolarHBondContact O-CB 3.49Å; L257-R279 PolarHBondContact O-N 3.2Å; T258-R279 HydrophobicContact CG2-CB 4.43Å; R279-N298 PolarHBondContact N-OD1 2.61Å | ||
| 280 | L | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -69.3 | 129.4 | -179.4 | -54.4 | 172.3 | 0 | 0 | 0 | 110.1 | L257 V260 L275 N278 L283 N298 P299 L300 | L257-L280 HydrophobicContact CB-CD2 4Å; L257-L280 WeakPolarHBondContact O-CD2 3.28Å; L257-L280 PolarHBondContact O-N 3.22Å; L257-L280 VanDerWaalsContact O-N 3.08Å; V260-L280 HydrophobicContact CG2-CD1 4.04Å; V260-L280 HydrophobicContact CG2-CD2 3.75Å; L275-L280 HydrophobicContact CB-CD1 4.06Å; L275-L280 HydrophobicContact CD1-CD1 4.21Å; L275-L280 HydrophobicContact CD2-CD1 4.35Å; L275-L280 HydrophobicContact CG-CD1 4.46Å; N278-L280 HydrophobicContact CB-CG 4.27Å; L280-L283 HydrophobicContact CD1-CD1 4.2Å; L280-L283 HydrophobicContact CD1-CD2 4.37Å; L280-N298 HydrophobicContact CB-CB 4.21Å; L280-N298 VanDerWaalsContact CB-OD1 3.26Å; L280-N298 WeakPolarHBondContact CB-OD1 3.29Å; L280-N298 VanDerWaalsContact CG-OD1 3.26Å; L280-N298 WeakPolarHBondContact CG-OD1 3.39Å; L280-N298 PolarHBondContact N-OD1 3.04Å; L280-P299 CarbonylContact O-C 3.02Å; L280-P299 VanDerWaalsContact O-CD 3.28Å; L280-P299 WeakPolarHBondContact O-CD 3.33Å; L280-L300 HydrophobicContact CB-CD2 4.13Å; L280-L300 PolarHBondContact O-N 3.15Å | ||
| 281 | R | 90.3 | Very high | 91 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 23% | 0.226 | 31% | 0.313 | C | S | . | . | trans | -106.7 | -48.4 | 175.5 | -72 | -179 | 171.6 | 81.5 | 15 | 112.1 | P299 L300 G301 E302 | R281-P299 HydrophobicContact CG-CG 4.24Å; R281-L300 WeakPolarHBondContact O-CA 3.39Å; R281-L300 WeakPolarHBondContact O-CD2 3.42Å; R281-G301 PolarHBondContact O-N 3.18Å; R281-E302 WeakPolarHBondContact CD-O 3.28Å | ||
| 282 | D | 87 | Confident | 90.7 | Very high | 131 Ų | 131 | 58.1 Ų | 58.1 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | trans | -121.3 | 140.4 | -179.1 | -57.5 | -65.9 | 0 | 0 | 0 | 109.9 | ||||
| 283 | L | 87.3 | Confident | 90.6 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 13% | 0.131 | 29% | 0.289 | C | S | . | . | trans | -140.4 | 152.9 | 172.8 | -71.9 | 176.2 | 0 | 0 | 0 | 109.3 | V260 L280 L287 L288 L295 L300 | V260-L283 HydrophobicContact CB-CD2 4.1Å; V260-L283 HydrophobicContact CG2-CD2 4.02Å; L280-L283 HydrophobicContact CD1-CD1 4.2Å; L280-L283 HydrophobicContact CD1-CD2 4.37Å; L283-L287 HydrophobicContact CB-CB 4.48Å; L283-L287 HydrophobicContact CD2-CD1 4.23Å; L283-L288 HydrophobicContact CB-CD2 3.96Å; L283-L288 HydrophobicContact CB-CG 4.3Å; L283-L288 HydrophobicContact CD1-CD2 4.21Å; L283-L295 HydrophobicContact CD1-CD1 3.98Å; L283-L295 HydrophobicContact CD1-CD2 3.5Å; L283-L295 HydrophobicContact CD1-CG 4.4Å; L283-L300 HydrophobicContact CD1-CD2 4.23Å; L283-L300 HydrophobicContact CG-CD2 4.33Å | ||
| 284 | P | 84.8 | Confident | 90.6 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 26% | 0.26 | 31% | 0.309 | S | S | . | . | trans | -58 | 143.8 | 167.6 | 26.9 | -35.2 | 0 | 0 | 0 | 110.4 | V265 E286 L287 L288 | V265-P284 HydrophobicContact CG2-CG 4.39Å; P284-E286 WeakPolarHBondContact CB-OE2 3.36Å; P284-E286 PolarHBondContact O-N 3.5Å; P284-E286 VanDerWaalsContact O-N 3.14Å; P284-L287 HydrophobicContact CG-CB 4.4Å; P284-L287 HydrophobicContact CG-CD1 3.89Å; P284-L287 HydrophobicContact CG-CG 4.02Å; P284-L287 PolarHBondContact O-N 3.45Å; P284-L288 PolarHBondContact O-N 3.08Å | ||
| 285 | A | 84.3 | Confident | 90.4 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.9 | -32.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L287 L288 D289 | A285-L287 PolarHBondContact O-N 2.91Å; A285-L287 VanDerWaalsContact O-N 3.12Å; A285-L288 PolarHBondContact O-N 2.93Å; A285-D289 PolarHBondContact O-N 3.13Å; A285-D289 VanDerWaalsContact O-N 3.14Å |
| 286 | E | 86.2 | Confident | 90.3 | Very high | 122 Ų | 122 | 68.4 Ų | 68.4 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.5 | -16.6 | 174.9 | -57.7 | 90.1 | 154.5 | 0 | 0 | 114.1 | V265 P284 A290 | V265-E286 HydrophobicContact CG1-CB 3.74Å; V265-E286 HydrophobicContact CG2-CB 4.48Å; P284-E286 WeakPolarHBondContact CB-OE2 3.36Å; P284-E286 PolarHBondContact O-N 3.5Å; P284-E286 VanDerWaalsContact O-N 3.14Å; E286-A290 VanDerWaalsContact O-CB 3.31Å; E286-A290 WeakPolarHBondContact O-CB 3.48Å |
| 287 | L | 85.5 | Confident | 90 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -99.9 | -20.6 | 169.6 | -69.8 | -180 | 0 | 0 | 0 | 113.8 | V260 V265 L273 L283 P284 A285 V293 | V260-L287 HydrophobicContact CG1-CD1 4.39Å; V265-L287 HydrophobicContact CG2-CD1 4.19Å; V265-L287 HydrophobicContact CG2-CD2 3.77Å; V265-L287 HydrophobicContact CG2-CG 3.69Å; L273-L287 HydrophobicContact CD2-CD2 4.05Å; L283-L287 HydrophobicContact CB-CB 4.48Å; L283-L287 HydrophobicContact CD2-CD1 4.23Å; P284-L287 HydrophobicContact CG-CB 4.4Å; P284-L287 HydrophobicContact CG-CD1 3.89Å; P284-L287 HydrophobicContact CG-CG 4.02Å; P284-L287 PolarHBondContact O-N 3.45Å; A285-L287 PolarHBondContact O-N 2.91Å; A285-L287 VanDerWaalsContact O-N 3.12Å; L287-V293 HydrophobicContact CD2-CG2 4.08Å |
| 288 | L | 85.1 | Confident | 89.9 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 45% | 0.445 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75.8 | -44 | 180 | -63.8 | 178.4 | 0 | 0 | 0 | 111.2 | L283 P284 A285 L295 L300 | L283-L288 HydrophobicContact CB-CD2 3.96Å; L283-L288 HydrophobicContact CB-CG 4.3Å; L283-L288 HydrophobicContact CD1-CD2 4.21Å; P284-L288 PolarHBondContact O-N 3.08Å; A285-L288 PolarHBondContact O-N 2.93Å; L288-L295 HydrophobicContact CD2-CD1 3.77Å; L288-L300 HydrophobicContact CD2-CD1 4.21Å |
| 289 | D | 83.1 | Confident | 89.7 | Confident | 143 Ų | 143 | 66.6 Ų | 66.6 | 77% | 0.765 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -88.8 | -4.2 | -177.8 | -65.3 | -36.2 | 0 | 0 | 0 | 113.7 | A285 | A285-D289 PolarHBondContact O-N 3.13Å; A285-D289 VanDerWaalsContact O-N 3.14Å |
| 290 | A | 87.1 | Confident | 89.3 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | trans | -78.8 | 118.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E286 F292 V293 | E286-A290 VanDerWaalsContact O-CB 3.31Å; E286-A290 WeakPolarHBondContact O-CB 3.48Å; A290-F292 HydrophobicContact CB-CD1 4.22Å; A290-F292 HydrophobicContact CB-CE1 3.76Å; A290-F292 HydrophobicContact CB-CE2 4.37Å; A290-F292 HydrophobicContact CB-CZ 3.84Å; A290-F292 PolarHBondContact O-N 3.01Å; A290-V293 HydrophobicContact CB-CB 4.48Å; A290-V293 HydrophobicContact CB-CG2 3.6Å; A290-V293 WeakPolarHBondContact O-CB 3.22Å; A290-V293 PolarHBondContact O-N 3.2Å | ||
| 291 | P | 86.9 | Confident | 88.6 | Confident | 134 Ų | 134 | 66.1 Ų | 66.1 | 87% | 0.87 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -11.3 | -170.1 | 28.8 | -37 | 0 | 0 | 0 | 114.8 | ||
| 292 | F | 89.3 | Confident | 88.2 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 26% | 0.259 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -10 | 173.4 | 58.8 | -96.6 | 0 | 0 | 0 | 113.3 | I270 T271 R272 L273 A290 | I270-F292 HydrophobicContact CG1-CD2 4.45Å; I270-F292 HydrophobicContact CG1-CE2 4.49Å; I270-F292 HydrophobicContact CG2-CD2 4.13Å; I270-F292 HydrophobicContact CG2-CE2 3.7Å; I270-F292 HydrophobicContact CG2-CZ 3.94Å; T271-F292 WeakPolarHBondContact O-CB 3.42Å; R272-F292 WeakPolarHBondContact CA-O 3.27Å; L273-F292 HydrophobicContact CB-CD2 4.14Å; L273-F292 HydrophobicContact CB-CE2 4.46Å; L273-F292 PolarHBondContact N-O 2.95Å; A290-F292 HydrophobicContact CB-CD1 4.22Å; A290-F292 HydrophobicContact CB-CE1 3.76Å; A290-F292 HydrophobicContact CB-CE2 4.37Å; A290-F292 HydrophobicContact CB-CZ 3.84Å; A290-F292 PolarHBondContact O-N 3.01Å |
| 293 | V | 94 | Very high | 87.3 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 139.1 | -176.9 | -168 | 0 | 0 | 0 | 0 | 110.3 | L273 L275 L287 A290 L295 | L273-V293 HydrophobicContact CB-CG2 4.31Å; L273-V293 HydrophobicContact CD2-CG1 4.32Å; L273-V293 HydrophobicContact CD2-CG2 4.25Å; L273-V293 HydrophobicContact CG-CG1 4.29Å; L273-V293 CarbonylContact O-C 3.48Å; L273-V293 VanDerWaalsContact O-CA 3.31Å; L273-V293 WeakPolarHBondContact O-CA 3.26Å; L275-V293 HydrophobicContact CD1-CG1 4.12Å; L287-V293 HydrophobicContact CD2-CG2 4.08Å; A290-V293 HydrophobicContact CB-CB 4.48Å; A290-V293 HydrophobicContact CB-CG2 3.6Å; A290-V293 WeakPolarHBondContact O-CB 3.22Å; A290-V293 PolarHBondContact O-N 3.2Å; V293-L295 HydrophobicContact CG1-CD1 4.43Å; V293-L295 HydrophobicContact CG1-CD2 3.67Å; V293-L295 HydrophobicContact CG1-CG 3.87Å |
| 294 | R | 95.1 | Very high | 86.2 | Confident | 113 Ų | 113 | 70.1 Ų | 70.1 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 116.5 | 174.6 | -58.3 | -176.3 | 175.6 | -164.9 | -4.6 | 110.3 | L273 L275 R276 | L273-R294 PolarHBondContact O-N 3.2Å; L275-R294 CarbonylContact C-O 3.45Å; L275-R294 VanDerWaalsContact C-O 3.29Å; L275-R294 WeakPolarHBondContact CA-O 3.39Å; L275-R294 WeakPolarHBondContact CB-O 3.41Å; L275-R294 PolarHBondContact N-O 3.21Å; R276-R294 HydrophobicContact CG-CB 3.72Å; R276-R294 PolarHBondContact N-O 3.19Å |
| 295 | L | 94.3 | Very high | 85.3 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 14% | 0.141 | 43% | 0.434 | C | S | . | . | trans | -115.9 | -0.7 | -170.9 | -61.1 | 176.4 | 0 | 0 | 0 | 114.8 | L275 L283 L288 V293 N298 L300 | L275-L295 HydrophobicContact CB-CD2 4.08Å; L275-L295 HydrophobicContact CD1-CD2 4.05Å; L283-L295 HydrophobicContact CD1-CD1 3.98Å; L283-L295 HydrophobicContact CD1-CD2 3.5Å; L283-L295 HydrophobicContact CD1-CG 4.4Å; L288-L295 HydrophobicContact CD2-CD1 3.77Å; V293-L295 HydrophobicContact CG1-CD1 4.43Å; V293-L295 HydrophobicContact CG1-CD2 3.67Å; V293-L295 HydrophobicContact CG1-CG 3.87Å; L295-N298 WeakPolarHBondContact O-CB 3.47Å; L295-N298 PolarHBondContact O-N 3.06Å; L295-N298 PolarHBondContact O-ND2 3.22Å; L295-L300 HydrophobicContact CB-CD1 3.98Å; L295-L300 HydrophobicContact CD1-CD1 3.99Å; L295-L300 HydrophobicContact CG-CD1 4.5Å | ||
| 296 | Q | 93.5 | Very high | 83.9 | Confident | 140 Ų | 140 | 74 Ų | 74 | 65% | 0.654 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 138.9 | -179 | -61 | 160.3 | -25.2 | 0 | 0 | 111.6 | R276 D277 | R276-Q296 CarbonylContact C-O 3.58Å; R276-Q296 WeakPolarHBondContact CA-O 3.26Å; R276-Q296 VanDerWaalsContact CB-O 3.32Å; R276-Q296 WeakPolarHBondContact CB-O 3.26Å; R276-Q296 HydrophobicContact CG-CB 4Å; D277-Q296 PolarHBondContact N-O 3.3Å |
| 297 | G | 92.4 | Very high | 82.5 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 54% | 0.536 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 10.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 298 | N | 94.3 | Very high | 81 | Confident | 22 Ų | 22 | 79.3 Ų | 79.3 | 12% | 0.118 | 49% | 0.492 | C | S | . | . | trans | -99.8 | 144.9 | 171.5 | -74.8 | -86.9 | 0 | 0 | 0 | 112.3 | L275 N278 R279 L280 L295 L300 | L275-N298 PolarHBondContact O-ND2 3.25Å; N278-N298 VanDerWaalsContact CA-OD1 3.29Å; N278-N298 WeakPolarHBondContact CA-OD1 3.37Å; N278-N298 WeakPolarHBondContact CB-OD1 3.09Å; N278-N298 PolarHBondContact O-OD1 3.1Å; R279-N298 PolarHBondContact N-OD1 2.61Å; L280-N298 HydrophobicContact CB-CB 4.21Å; L280-N298 VanDerWaalsContact CB-OD1 3.26Å; L280-N298 WeakPolarHBondContact CB-OD1 3.29Å; L280-N298 VanDerWaalsContact CG-OD1 3.26Å; L280-N298 WeakPolarHBondContact CG-OD1 3.39Å; L280-N298 PolarHBondContact N-OD1 3.04Å; L295-N298 WeakPolarHBondContact O-CB 3.47Å; L295-N298 PolarHBondContact O-N 3.06Å; L295-N298 PolarHBondContact O-ND2 3.22Å; N298-L300 HydrophobicContact CB-CD1 4.5Å; N298-L300 HydrophobicContact CB-CD2 4.5Å; N298-L300 HydrophobicContact CB-CG 3.96Å; N298-L300 PolarHBondContact O-N 3.34Å | ||
| 299 | P | 92.9 | Very high | 79.2 | Confident | 16 Ų | 16 | 80.3 Ų | 80.3 | 10% | 0.104 | 51% | 0.506 | C | S | . | . | trans | -77.8 | 53.7 | 175.7 | 35.4 | -37.8 | 0 | 0 | 0 | 112.4 | L280 R281 G301 E302 | L280-P299 CarbonylContact O-C 3.02Å; L280-P299 VanDerWaalsContact O-CD 3.28Å; L280-P299 WeakPolarHBondContact O-CD 3.33Å; R281-P299 HydrophobicContact CG-CG 4.24Å; P299-G301 PolarHBondContact O-N 3.29Å; P299-E302 HydrophobicContact CB-CB 4.16Å; P299-E302 HydrophobicContact CB-CG 4.1Å; P299-E302 VanDerWaalsContact CB-OE2 3.26Å; P299-E302 WeakPolarHBondContact CB-OE2 3.22Å; P299-E302 WeakPolarHBondContact O-CB 3.22Å; P299-E302 PolarHBondContact O-N 3.22Å | ||
| 300 | L | 88.1 | Confident | 77.8 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 33% | 0.325 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 130.3 | -176 | -69.4 | 173.2 | 0 | 0 | 0 | 111.7 | L280 R281 L283 L288 L295 N298 E302 | L280-L300 HydrophobicContact CB-CD2 4.13Å; L280-L300 PolarHBondContact O-N 3.15Å; R281-L300 WeakPolarHBondContact O-CA 3.39Å; R281-L300 WeakPolarHBondContact O-CD2 3.42Å; L283-L300 HydrophobicContact CD1-CD2 4.23Å; L283-L300 HydrophobicContact CG-CD2 4.33Å; L288-L300 HydrophobicContact CD2-CD1 4.21Å; L295-L300 HydrophobicContact CB-CD1 3.98Å; L295-L300 HydrophobicContact CD1-CD1 3.99Å; L295-L300 HydrophobicContact CG-CD1 4.5Å; N298-L300 HydrophobicContact CB-CD1 4.5Å; N298-L300 HydrophobicContact CB-CD2 4.5Å; N298-L300 HydrophobicContact CB-CG 3.96Å; N298-L300 PolarHBondContact O-N 3.34Å; L300-E302 PolarHBondContact O-N 3.26Å |
| 301 | G | 79.8 | Confident | 76.2 | Confident | 67 Ų | 67 | 83.3 Ų | 83.3 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -0.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R281 P299 | R281-G301 PolarHBondContact O-N 3.18Å; P299-G301 PolarHBondContact O-N 3.29Å |
| 302 | E | 81.4 | Confident | 74.2 | Confident | 123 Ų | 123 | 83.3 Ų | 83.3 | 58% | 0.575 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 131.7 | 169.4 | -64.2 | -175.1 | -178.2 | 0 | 0 | 110.1 | R281 P299 L300 | R281-E302 WeakPolarHBondContact CD-O 3.28Å; P299-E302 HydrophobicContact CB-CB 4.16Å; P299-E302 HydrophobicContact CB-CG 4.1Å; P299-E302 VanDerWaalsContact CB-OE2 3.26Å; P299-E302 WeakPolarHBondContact CB-OE2 3.22Å; P299-E302 WeakPolarHBondContact O-CB 3.22Å; P299-E302 PolarHBondContact O-N 3.22Å; L300-E302 PolarHBondContact O-N 3.26Å |
| 303 | A | 68.2 | Low | 72.2 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 74% | 0.744 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 150.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 304 | S | 64.4 | Low | 70 | Confident | 88 Ų | 88 | 90.4 Ų | 90.4 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 134.9 | 170 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | A306 | S304-A306 PolarHBondContact O-N 3.24Š|
| 305 | P | 66.3 | Low | 67.7 | Low | 90 Ų | 90 | 93.9 Ų | 93.9 | 58% | 0.584 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 132.2 | 168.5 | 24.7 | -34 | 0 | 0 | 0 | 107.8 | ||
| 306 | A | 54.1 | Low | 65.4 | Low | 86 Ų | 86 | 97.8 Ų | 97.8 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 142.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | S304 | S304-A306 PolarHBondContact O-N 3.24Š|
| 307 | P | 57.2 | Low | 63.1 | Low | 111 Ų | 111 | 96.5 Ų | 96.5 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -55 | 141.1 | 169.9 | 26.2 | -34.1 | 0 | 0 | 0 | 108.4 | S309 | P307-S309 PolarHBondContact O-N 3.14Å; P307-S309 VanDerWaalsContact O-N 3.14Å |
| 308 | P | 52.7 | Low | 60.6 | Low | 125 Ų | 125 | 103.5 Ų | 103.5 | 81% | 0.812 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 125.8 | 180 | 23.9 | -33.2 | 0 | 0 | 0 | 108.8 | ||
| 309 | S | 48.2 | Very low | 57.8 | Low | 106 Ų | 106 | 110.6 Ų | 110.6 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 136.7 | 173.9 | -47.2 | 0 | 0 | 0 | 0 | 108.9 | P307 | P307-S309 PolarHBondContact O-N 3.14Å; P307-S309 VanDerWaalsContact O-N 3.14Å |
| 310 | P | 53.3 | Low | 55.4 | Low | 108 Ų | 108 | 115.4 Ų | 115.4 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 138.3 | 173.1 | 24.6 | -33.3 | 0 | 0 | 0 | 108.6 | D312 | P310-D312 PolarHBondContact O-N 3.39Š|
| 311 | P | 53.3 | Low | 53.3 | Low | 111 Ų | 111 | 123.6 Ų | 123.6 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 138.1 | 179.1 | 25 | -34.1 | 0 | 0 | 0 | 109.1 | I313 | P311-I313 WeakPolarHBondContact O-CG1 3.15Å; P311-I313 PolarHBondContact O-N 2.88Å |
| 312 | D | 45.2 | Very low | 51.3 | Low | 135 Ų | 135 | 128.5 Ų | 128.5 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -60.8 | 104.6 | -173.7 | -172.1 | -14.6 | 0 | 0 | 0 | 110.5 | P310 S314 | P310-D312 PolarHBondContact O-N 3.39Å; D312-S314 PolarHBondContact O-N 2.6Å; D312-S314 VanDerWaalsContact OD1-CB 3.26Å; D312-S314 WeakPolarHBondContact OD1-CB 3.26Å; D312-S314 PolarHBondContact OD1-N 3.4Å; D312-S314 PolarHBondContact OD1-OG 2.95Å | ||
| 313 | I | 47.6 | Very low | 49.2 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | -80.5 | 41.8 | -174 | -36.4 | -178.2 | 0 | 0 | 0 | 110.9 | P311 V316 | P311-I313 WeakPolarHBondContact O-CG1 3.15Å; P311-I313 PolarHBondContact O-N 2.88Å; I313-V316 HydrophobicContact CG2-CB 4.45Å; I313-V316 HydrophobicContact CG2-CG2 3.74Å | ||
| 314 | S | 47.9 | Very low | 47.6 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -91.4 | -3.2 | 178.9 | -67.7 | 0 | 0 | 0 | 0 | 113.8 | D312 | D312-S314 PolarHBondContact O-N 2.6Å; D312-S314 VanDerWaalsContact OD1-CB 3.26Å; D312-S314 WeakPolarHBondContact OD1-CB 3.26Å; D312-S314 PolarHBondContact OD1-N 3.4Å; D312-S314 PolarHBondContact OD1-OG 2.95Å |
| 315 | Q | 47.4 | Very low | 46.2 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -140.2 | 42.5 | -179 | -65 | -165.9 | -2.2 | 0 | 0 | 114.6 | ||||
| 316 | V | 44.4 | Very low | 44.9 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 119.1 | 161.5 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | I313 | I313-V316 HydrophobicContact CG2-CB 4.45Å; I313-V316 HydrophobicContact CG2-CG2 3.74Å |
| 317 | P | 45.7 | Very low | 44.2 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 138.8 | 174.2 | 28.2 | -33.6 | 0 | 0 | 0 | 110.2 | M319 | P317-M319 PolarHBondContact O-N 3.31Å; P317-M319 VanDerWaalsContact O-N 3.13Å |
| 318 | E | 40.3 | Very low | 43.3 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 117 | -174.8 | -70.7 | -168.3 | 111.2 | 0 | 0 | 112.4 | ||
| 319 | M | 34.3 | Very low | 42.5 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.4 | 167.7 | -171 | 174.8 | -179.9 | 0 | 0 | 108.8 | P317 R321 | P317-M319 PolarHBondContact O-N 3.31Å; P317-M319 VanDerWaalsContact O-N 3.13Å; M319-R321 PolarHBondContact O-N 3.14Å |
| 320 | P | 43.5 | Very low | 41.9 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 120 | -170.3 | 24.3 | -33.9 | 0 | 0 | 0 | 111.6 | L322 | P320-L322 PolarHBondContact O-N 3.32Å; P320-L322 VanDerWaalsContact O-N 3.12Å |
| 321 | R | 43.8 | Very low | 41 | Very low | 234 Ų | 234 | 148.3 Ų | 148.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -71 | 103.6 | 177.2 | -72.9 | -179.4 | 170.9 | 176.1 | -2.2 | 110.7 | M319 L323 | M319-R321 PolarHBondContact O-N 3.14Å; R321-L323 PolarHBondContact O-N 3.4Å | ||
| 322 | L | 37.2 | Very low | 39.9 | Very low | 171 Ų | 171 | 152.1 Ų | 152.1 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -68.1 | 99.5 | 166.6 | -74.5 | 171.1 | 0 | 0 | 0 | 109.8 | P320 L324 | P320-L322 PolarHBondContact O-N 3.32Å; P320-L322 VanDerWaalsContact O-N 3.12Å; L322-L324 PolarHBondContact O-N 3.32Å | ||
| 323 | L | 37.8 | Very low | 39.1 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -77.6 | 105.7 | 169.3 | -70.2 | 170 | 0 | 0 | 0 | 109.1 | R321 T325 | R321-L323 PolarHBondContact O-N 3.4Å; L323-T325 PolarHBondContact O-N 3.13Å | ||
| 324 | L | 35 | Very low | 38.1 | Very low | 174 Ų | 174 | 157 Ų | 157 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -69.8 | 109.8 | 166.6 | -80.8 | 159.2 | 0 | 0 | 0 | 109.1 | L322 | L322-L324 PolarHBondContact O-N 3.32Š| ||
| 325 | T | 34 | Very low | 37.3 | Very low | 116 Ų | 116 | 158 Ų | 158 | 71% | 0.712 | 83% | 0.826 | S | S | * | * | trans | -71.3 | 131.9 | 172.9 | 47 | 0 | 0 | 0 | 0 | 110.4 | L323 D327 | L323-T325 PolarHBondContact O-N 3.13Å; T325-D327 VanDerWaalsContact C-N 3.27Å; T325-D327 PolarHBondContact O-N 3.19Å | ||
| 326 | S | 39 | Very low | 36.5 | Very low | 120 Ų | 120 | 154.9 Ų | 154.9 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -82.5 | 56.2 | -168.7 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 327 | D | 40.9 | Very low | 35.9 | Very low | 137 Ų | 137 | 155.6 Ų | 155.6 | 73% | 0.733 | 83% | 0.828 | S | S | * | * | trans | -133.2 | 37.5 | -173.7 | -67.4 | -71.3 | 0 | 0 | 0 | 113.1 | T325 | T325-D327 VanDerWaalsContact C-N 3.27Å; T325-D327 PolarHBondContact O-N 3.19Å | ||
| 328 | L | 37 | Very low | 35 | Very low | 163 Ų | 163 | 162.2 Ų | 162.2 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | -139.2 | 77.3 | 170.6 | -76 | -179.8 | 0 | 0 | 0 | 111.8 | ||||
| 329 | D | 37.3 | Very low | 34.6 | Very low | 158 Ų | 158 | 161.2 Ų | 161.2 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | trans | -65.1 | 154.3 | 158.4 | -91.6 | -45.4 | 0 | 0 | 0 | 111 | ||||
| 330 | S | 35.8 | Very low | 34.2 | Very low | 111 Ų | 111 | 158.5 Ų | 158.5 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | trans | 80.5 | 86.6 | 174.9 | -44.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 331 | F | 33.1 | Very low | 34.1 | Very low | 207 Ų | 207 | 159 Ų | 159 | 91% | 0.908 | 84% | 0.84 | S | S | * | * | trans | -98.8 | 120.6 | 140.5 | -86.3 | -87.4 | 0 | 0 | 0 | 108.7 | ||||
| 332 | Q | 29.8 | Very low | 33.2 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -78.8 | 143.5 | 172.6 | -72 | -158.9 | -5.1 | 0 | 0 | 111.1 | ||||
| 333 | Q | 28.1 | Very low | 32.8 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -99 | 94 | -176.4 | -173.2 | 176.8 | 40.2 | 0 | 0 | 110.1 | ||||
| 334 | E | 28.1 | Very low | 32.5 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 135.2 | 171.4 | -69.2 | -162.8 | 144.5 | 0 | 0 | 111.4 | ||
| 335 | P | 30.5 | Very low | 32.1 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -81 | 150 | 174.3 | 33.2 | -34.2 | 0 | 0 | 0 | 111.7 | ||
| 336 | P | 30.8 | Very low | 32.1 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 139.4 | -174.8 | 27.9 | -35.2 | 0 | 0 | 0 | 113 | ||
| 337 | P | 32.3 | Very low | 31.5 | Very low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72 | 149.7 | 176.4 | 29.9 | -34.8 | 0 | 0 | 0 | 112.2 | ||
| 338 | R | 27.4 | Very low | 31 | Very low | 251 Ų | 251 | 147.7 Ų | 147.7 | 95% | 0.947 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 136.9 | 176.5 | -63.8 | -179 | 178.9 | -171.5 | -0.8 | 111.1 | ||
| 339 | L | 30.6 | Very low | 30.9 | Very low | 178 Ų | 178 | 146 Ų | 146 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 136.1 | 171.3 | -74 | 166.9 | 0 | 0 | 0 | 111.9 | ||
| 340 | S | 26.2 | Very low | 31 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -149.9 | 156.5 | 158.7 | 64 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 341 | P | 40.7 | Very low | 31.2 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -118.1 | 147.1 | -139.6 | 39 | -30.8 | 0 | 0 | 0 | 116.5 | ||||
| 342 | S | 25.6 | Very low | 31.2 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | trans | -161.8 | 156.6 | 153.5 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 343 | T | 28.6 | Very low | 31.3 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 83% | 0.828 | 83% | 0.832 | S | S | * | * | trans | 67.7 | 104.3 | 159 | 19.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 344 | I | 32 | Very low | 31.7 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | -55.1 | 137.2 | 155.4 | -63.3 | 150.1 | 0 | 0 | 0 | 111.3 | ||||
| 345 | D | 25.6 | Very low | 31.9 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | -153.6 | -176.7 | 123.5 | -143.1 | -33.6 | 0 | 0 | 0 | 110.7 | |||||
| 346 | S | 34.8 | Very low | 32.1 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | -115.2 | 151 | -148.8 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 347 | G | 27.1 | Very low | 32.2 | Very low | 76 Ų | 76 | 146.8 Ų | 146.8 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | 153.1 | 86.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 348 | C | 29 | Very low | 32.2 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | trans | -83.7 | 142.8 | 152.7 | -74.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 349 | P | 35.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | -133.6 | 160.1 | 89.3 | 37.9 | -28.4 | 0 | 0 | 0 | 114.8 | |||||
| 350 | S | 40.1 | Very low | 32.5 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -83.8 | 125.9 | -178.5 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 351 | Q | 40.1 | Very low | 32.8 | Very low | 200 Ų | 200 | 142 Ų | 142 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | 178.2 | 96.7 | 146.8 | -102.5 | 166 | 31.4 | 0 | 0 | 110.8 | ||||
| 352 | A | 33.5 | Very low | 32.4 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -160.4 | -3.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 353 | W | 31.1 | Very low | 32.5 | Very low | 259 Ų | 259 | 143.9 Ų | 143.9 | 98% | 0.981 | 82% | 0.816 | S | S | * | * | trans | -114.1 | 86.6 | -172 | -76.9 | 35.8 | 0 | 0 | 0 | 110.8 | ||||
| 354 | S | 37.4 | Very low | 32.5 | Very low | 99 Ų | 99 | 144.3 Ų | 144.3 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | -156.3 | 21 | 179.2 | 58 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 355 | L | 32.1 | Very low | 32.3 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -134.1 | 7.4 | -176 | -80.4 | 173.5 | 0 | 0 | 0 | 115.6 | ||
| 356 | W | 34.2 | Very low | 32.3 | Very low | 234 Ų | 234 | 139.1 Ų | 139.1 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -104.1 | -33.7 | 177.6 | -88.8 | 75.3 | 0 | 0 | 0 | 114.2 | L358 | W356-L358 PolarHBondContact O-N 3.35Å; W356-L358 VanDerWaalsContact O-N 3.14Å |
| 357 | D | 31.9 | Very low | 31.8 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 1.9 | -175.1 | -60.2 | -59.7 | 0 | 0 | 0 | 115.3 | ||
| 358 | L | 33 | Very low | 31.7 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 3.2 | -177.1 | -107.4 | 163 | 0 | 0 | 0 | 114.3 | W356 | W356-L358 PolarHBondContact O-N 3.35Å; W356-L358 VanDerWaalsContact O-N 3.14Å |
| 359 | M | 30.1 | Very low | 31.5 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -122.3 | 6.8 | -172.6 | -125.2 | 175.7 | -175.8 | 0 | 0 | 115.8 | ||
| 360 | T | 33.9 | Very low | 31 | Very low | 116 Ų | 116 | 145 Ų | 145 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -95.5 | -10.3 | -177.7 | 2.5 | 0 | 0 | 0 | 0 | 114.8 | C362 | T360-C362 PolarHBondContact O-N 3.12Š| ||
| 361 | S | 31.9 | Very low | 30.8 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -95.1 | 49.9 | -173.4 | -64.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 362 | C | 33.3 | Very low | 30.2 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -168.3 | 76.7 | 162 | -106.5 | 0 | 0 | 0 | 0 | 113.3 | T360 | T360-C362 PolarHBondContact O-N 3.12Š| ||
| 363 | L | 27.6 | Very low | 29.8 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | -156.2 | 92.5 | 164.6 | -117.7 | 160.1 | 0 | 0 | 0 | 112 | V365 | L363-V365 HydrophobicContact CD2-CG2 4.02Å; L363-V365 PolarHBondContact O-N 3.06Å | ||
| 364 | V | 27.7 | Very low | 29.6 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | trans | -81.8 | 100.7 | 170.6 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | S366 | V364-S366 PolarHBondContact O-N 3.26Š| ||
| 365 | V | 28.7 | Very low | 29.1 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 61% | 0.606 | 80% | 0.797 | S | S | * | * | trans | -87.2 | 99.8 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | L363 W367 | L363-V365 HydrophobicContact CD2-CG2 4.02Å; L363-V365 PolarHBondContact O-N 3.06Å; V365-W367 PolarHBondContact O-N 2.95Å | ||
| 366 | S | 25.2 | Very low | 28.9 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -72.7 | 112.8 | 175.2 | 57 | 0 | 0 | 0 | 0 | 111.2 | V364 | V364-S366 PolarHBondContact O-N 3.26Š| ||
| 367 | W | 25.6 | Very low | 28.6 | Very low | 231 Ų | 231 | 137.4 Ų | 137.4 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -84.8 | 121 | 170.9 | -80.3 | 59.8 | 0 | 0 | 0 | 110.6 | V365 | V365-W367 PolarHBondContact O-N 2.95Š| ||
| 368 | S | 24.4 | Very low | 28.6 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -125.1 | 92.9 | 175.9 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 369 | C | 23.5 | Very low | 28.7 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -79.9 | 142.9 | 153.4 | -54.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 370 | S | 25.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | cis | -170.8 | -166.9 | 45.7 | -73.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 371 | P | 37.1 | Very low | 28.4 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | -130.6 | 136.4 | -50.4 | 31.2 | -14.6 | 0 | 0 | 0 | 113.1 | |||||
| 372 | M | 26 | Very low | 28.2 | Very low | 201 Ų | 201 | 146.1 Ų | 146.1 | 99% | 0.99 | 82% | 0.818 | S | S | * | * | trans | -144.1 | 146.2 | 150.1 | -61.9 | -170.8 | -164.9 | 0 | 0 | 106.1 | ||||
| 373 | G | 25.4 | Very low | 27.9 | Very low | 59 Ų | 59 | 147.4 Ų | 147.4 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | cis | 142.8 | 163.7 | 13.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 374 | W | 26.7 | Very low | 27.9 | Very low | 245 Ų | 245 | 147 Ų | 147 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | trans | 68.3 | 160 | -173.7 | -64.6 | 59.6 | 0 | 0 | 0 | 115.1 | ||||
| 375 | L | 27.8 | Very low | 27.9 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | cis | -163.7 | 154.2 | -48.6 | -119.6 | 160.2 | 0 | 0 | 0 | 107.6 | ||||
| 376 | S | 26.8 | Very low | 27.8 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 72% | 0.72 | 83% | 0.829 | S | S | * | * | trans | -52.4 | 136.6 | 175.4 | 165.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 377 | S | 28.8 | Very low | 28 | Very low | 115 Ų | 115 | 154.2 Ų | 154.2 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | -168.8 | 163 | 109.6 | -116 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 378 | K | 31.9 | Very low | 28.2 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | -74.7 | 149.2 | 169.6 | -57.2 | 166 | 176 | 174.1 | 0 | 110.7 | ||||
| 379 | M | 34.9 | Very low | 28.6 | Very low | 264 Ų | 264 | 151 Ų | 151 | 100% | 1.3 | 84% | 0.838 | S | S | * | * | -152.5 | 0 | 104.9 | -107.1 | 179.1 | 177.2 | 0 | 0 | 110.6 |
Retrieved 379 of 379 residues in 286.7 ms
(Link to these results)