| 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 | 36.5 | Very low | 35.2 | Very low | 240 Ų | 240 | 138.3 Ų | 138.3 | 100% | 1.182 | 76% | 0.764 | S | S | * | * | 0 | 68.8 | 0 | -70.9 | -157.9 | -72.8 | 0 | 0 | 108.8 | |||||
| 2 | E | 32.5 | Very low | 35.3 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -98.7 | 22.4 | -167 | -67.9 | 176.4 | 142.1 | 0 | 0 | 113.7 | ||||
| 3 | G | 34.2 | Very low | 35 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -96.8 | -7.4 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 4 | I | 41.1 | Very low | 34.8 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -113.8 | -12.4 | -165.8 | -61.2 | 178.7 | 0 | 0 | 0 | 113.5 | ||
| 5 | Q | 38 | Very low | 34.7 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -5 | -176.9 | -73.2 | -173.9 | -17.5 | 0 | 0 | 115.9 | ||
| 6 | N | 35.7 | Very low | 34.5 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 60% | 0.599 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -3.5 | -173.8 | -79.4 | -27.6 | 0 | 0 | 0 | 116.1 | ||
| 7 | L | 33.4 | Very low | 34.3 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -17.8 | -179.2 | -89.6 | 151.1 | 0 | 0 | 0 | 114.4 | ||
| 8 | S | 33.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -15.5 | 176.8 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 9 | A | 34.8 | Very low | 34.1 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 58% | 0.579 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -23.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 10 | Q | 32.9 | Very low | 33.9 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -84.2 | -12.4 | -177.5 | -96.5 | 170.8 | -39.1 | 0 | 0 | 115.2 | A12 | Q10-A12 VanDerWaalsContact C-N 3.33Š|
| 11 | V | 35.4 | Very low | 33.8 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -82.5 | -12.7 | 176 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | G13 | V11-G13 PolarHBondContact O-N 3.37Š|
| 12 | A | 35.7 | Very low | 33.6 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -84.7 | -1.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q10 | Q10-A12 VanDerWaalsContact C-N 3.33Š|
| 13 | G | 31.5 | Very low | 33.5 | Very low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -109.5 | -3.4 | -168 | 0 | 0 | 0 | 0 | 0 | 117.6 | V11 | V11-G13 PolarHBondContact O-N 3.37Š|
| 14 | N | 32.1 | Very low | 33.3 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -136.1 | 65.2 | -171.8 | -98.2 | -9.4 | 0 | 0 | 0 | 112.5 | ||||
| 15 | T | 33.5 | Very low | 32.8 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -108.4 | 70.6 | 161.4 | 53.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 16 | G | 31 | Very low | 32.2 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | -75.9 | 136.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L18 | G16-L18 PolarHBondContact O-N 3.18Š| ||
| 17 | L | 31.1 | Very low | 31.8 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -28.8 | 119.8 | 175.1 | -70.8 | 90.5 | 0 | 0 | 0 | 113.6 | ||
| 18 | L | 35.3 | Very low | 32 | Very low | 177 Ų | 177 | 122.4 Ų | 122.4 | 93% | 0.927 | 74% | 0.737 | S | S | * | * | trans | 170 | 116.1 | 143.6 | -89.7 | 153 | 0 | 0 | 0 | 109.4 | G16 | G16-L18 PolarHBondContact O-N 3.18Š| ||
| 19 | G | 30.7 | Very low | 32.1 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | 69.7 | 77.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | K21 | G19-K21 PolarHBondContact O-N 3.44Š| ||
| 20 | G | 30 | Very low | 32.5 | Very low | 90 Ų | 90 | 123 Ų | 123 | 93% | 0.928 | 72% | 0.724 | S | S | * | * | 52.2 | 25.5 | 122.9 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 21 | K | 32.3 | Very low | 33 | Very low | 190 Ų | 190 | 118 Ų | 118 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | trans | -120.3 | 97.6 | 166.6 | -72.3 | -175.2 | 179.4 | -178.3 | 0 | 109.8 | G19 T23 | G19-K21 PolarHBondContact O-N 3.44Å; K21-T23 PolarHBondContact O-N 3.27Å | ||
| 22 | R | 32.2 | Very low | 33.6 | Very low | 213 Ų | 213 | 119.2 Ų | 119.2 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -76 | 96.4 | 170.8 | -79 | -178 | 167.6 | 175.1 | -3.9 | 108.6 | F24 | R22-F24 HydrophobicContact CB-CD2 4.45Å; R22-F24 HydrophobicContact CB-CE2 4.37Å; R22-F24 PolarHBondContact O-N 3.42Å; R22-F24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | T | 28.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 115.6 Ų | 115.6 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | -68.6 | 99.6 | 166.8 | -23.2 | 0 | 0 | 0 | 0 | 107.6 | K21 I25 | K21-T23 PolarHBondContact O-N 3.27Å; T23-I25 PolarHBondContact O-N 3.45Å; T23-I25 VanDerWaalsContact O-N 3.08Å | ||
| 24 | F | 30.6 | Very low | 35.5 | Very low | 172 Ų | 172 | 117.1 Ų | 117.1 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | trans | -71.1 | 99.7 | 168.3 | -87.6 | -93.4 | 0 | 0 | 0 | 107.5 | R22 C26 | R22-F24 HydrophobicContact CB-CD2 4.45Å; R22-F24 HydrophobicContact CB-CE2 4.37Å; R22-F24 PolarHBondContact O-N 3.42Å; R22-F24 VanDerWaalsContact O-N 3.1Å; F24-C26 VanDerWaalsContact C-N 3.26Å; F24-C26 PolarHBondContact O-N 3.36Å | ||
| 25 | I | 30.9 | Very low | 36.5 | Very low | 130 Ų | 130 | 110.1 Ų | 110.1 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | trans | -68 | 96.2 | 162 | -66.8 | 169.6 | 0 | 0 | 0 | 105.1 | T23 C27 | T23-I25 PolarHBondContact O-N 3.45Å; T23-I25 VanDerWaalsContact O-N 3.08Å; I25-C27 VanDerWaalsContact C-N 3.3Å; I25-C27 PolarHBondContact O-N 3.33Å | ||
| 26 | C | 25.8 | Very low | 37.4 | Very low | 95 Ų | 95 | 106.5 Ų | 106.5 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | trans | -66.5 | 96.7 | 168.9 | -165.6 | 0 | 0 | 0 | 0 | 106.6 | F24 F28 | F24-C26 VanDerWaalsContact C-N 3.26Å; F24-C26 PolarHBondContact O-N 3.36Å; C26-F28 PolarHBondContact O-N 2.86Å | ||
| 27 | C | 27.3 | Very low | 38.4 | Very low | 100 Ų | 100 | 112.1 Ų | 112.1 | 68% | 0.676 | 63% | 0.628 | S | S | * | * | trans | -63.8 | 87 | 165.3 | -71.4 | 0 | 0 | 0 | 0 | 107.1 | I25 L29 | I25-C27 VanDerWaalsContact C-N 3.3Å; I25-C27 PolarHBondContact O-N 3.33Å; C27-L29 PolarHBondContact O-N 3.39Å | ||
| 28 | F | 37.9 | Very low | 39.9 | Very low | 73 Ų | 73 | 105 Ų | 105 | 32% | 0.32 | 60% | 0.595 | S | S | . | * | trans | -66.8 | 75.4 | 167.7 | -128.4 | -96.8 | 0 | 0 | 0 | 106.9 | C26 P30 L243 | C26-F28 PolarHBondContact O-N 2.86Å; F28-P30 WeakPolarHBondContact O-CD 3.33Å; F28-P30 VanDerWaalsContact O-N 3.09Å; F28-L243 HydrophobicContact CE1-CD2 4.44Å; F28-L243 HydrophobicContact CZ-CD2 4.07Å | ||
| 29 | L | 34.8 | Very low | 41.6 | Very low | 132 Ų | 132 | 103.1 Ų | 103.1 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | trans | -64.1 | 110.7 | 173.6 | -110.7 | 159.6 | 0 | 0 | 0 | 105.2 | C27 S31 | C27-L29 PolarHBondContact O-N 3.39Å; L29-S31 PolarHBondContact O-N 3.13Å; L29-S31 PolarHBondContact O-OG 3.33Å | ||
| 30 | P | 42.5 | Very low | 43.9 | Very low | 58 Ų | 58 | 100.3 Ų | 100.3 | 38% | 0.377 | 55% | 0.548 | S | S | . | . | trans | -89.3 | 82 | -161.8 | 41.7 | -37.2 | 0 | 0 | 0 | 104.5 | F28 K32 L45 | F28-P30 WeakPolarHBondContact O-CD 3.33Å; F28-P30 VanDerWaalsContact O-N 3.09Å; P30-K32 PolarHBondContact O-N 3.3Å; P30-L45 HydrophobicContact CB-CD1 3.26Å; P30-L45 HydrophobicContact CB-CD2 3.27Å; P30-L45 HydrophobicContact CB-CG 3.74Å; P30-L45 HydrophobicContact CG-CD1 3.63Å; P30-L45 HydrophobicContact CG-CD2 3.12Å; P30-L45 HydrophobicContact CG-CG 3.84Å | ||
| 31 | S | 42.9 | Very low | 46.4 | Very low | 51 Ų | 51 | 96.5 Ų | 96.5 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | trans | -80.4 | 125.9 | -161.6 | 10.9 | 0 | 0 | 0 | 0 | 107.9 | L29 L33 R207 | L29-S31 PolarHBondContact O-N 3.13Å; L29-S31 PolarHBondContact O-OG 3.33Å; S31-L33 PolarHBondContact O-N 3.1Å; S31-L33 VanDerWaalsContact O-N 3.08Å; S31-R207 PolarHBondContact O-NH2 2.8Å | ||
| 32 | K | 48.6 | Very low | 48.8 | Very low | 135 Ų | 135 | 88 Ų | 88 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | trans | -50.7 | 113.1 | -180 | -65.6 | 176.1 | -178 | 179.8 | 0 | 109.5 | P30 K39 V40 | P30-K32 PolarHBondContact O-N 3.3Å; K32-K39 HydrophobicContact CB-CB 4.08Å; K32-K39 HydrophobicContact CB-CD 4.4Å; K32-K39 HydrophobicContact CB-CG 4.35Å; K32-K39 HydrophobicContact CD-CB 4.23Å; K32-K39 HydrophobicContact CD-CD 3.78Å; K32-K39 HydrophobicContact CD-CG 4.48Å; K32-V40 CarbonylContact C-O 3.47Å; K32-V40 WeakPolarHBondContact CA-O 3.35Å | ||
| 33 | L | 52.4 | Low | 51.3 | Low | 15 Ų | 15 | 78 Ų | 78 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 131.4 | 173.2 | 179.6 | 88.8 | 0 | 0 | 0 | 107.1 | S31 K39 V40 Y200 C203 R207 | S31-L33 PolarHBondContact O-N 3.1Å; S31-L33 VanDerWaalsContact O-N 3.08Å; L33-K39 CarbonylContact O-C 3.49Å; L33-V40 HydrophobicContact CB-CB 4.1Å; L33-V40 HydrophobicContact CD2-CB 4.32Å; L33-V40 HydrophobicContact CD2-CG1 4.48Å; L33-V40 PolarHBondContact N-O 3.17Å; L33-V40 VanDerWaalsContact O-CA 3.28Å; L33-V40 WeakPolarHBondContact O-CA 3.48Å; L33-V40 VanDerWaalsContact O-CB 3.27Å; L33-V40 WeakPolarHBondContact O-CB 3.41Å; L33-V40 PolarHBondContact O-N 3.41Å; L33-Y200 HydrophobicContact CD2-CE2 4.19Å; L33-C203 HydrophobicContact CD1-CB 4.32Å; L33-R207 HydrophobicContact CD1-CB 4.01Å; L33-R207 HydrophobicContact CD1-CG 4.38Å |
| 34 | T | 55.5 | Low | 53.8 | Low | 94 Ų | 94 | 74.1 Ų | 74.1 | 58% | 0.577 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.3 | 171.3 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | G38 K39 C203 | T34-G38 CarbonylContact C-O 3.53Å; T34-G38 VanDerWaalsContact CA-O 3.27Å; T34-G38 WeakPolarHBondContact CA-O 3.46Å; T34-K39 HydrophobicContact CG2-CG 4.15Å; T34-C203 PolarHBondContact O-SG 3.15Å; T34-C203 VanDerWaalsContact O-SG 3.33Å |
| 35 | Y | 53.5 | Low | 56.1 | Low | 12 Ų | 12 | 68.9 Ų | 68.9 | 5% | 0.047 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 135.1 | 175.6 | -175 | -90 | 0 | 0 | 0 | 109 | D37 G38 L169 S196 E199 Y200 C203 | Y35-D37 PolarHBondContact O-N 2.93Å; Y35-G38 PolarHBondContact N-O 3.2Å; Y35-G38 PolarHBondContact O-N 3.48Å; Y35-G38 VanDerWaalsContact O-O 3.11Å; Y35-L169 HydrophobicContact CD1-CD1 3.14Å; Y35-L169 HydrophobicContact CE1-CD1 3.37Å; Y35-L169 HydrophobicContact CG-CD1 4.17Å; Y35-S196 PolarHBondContact OH-N 2.92Å; Y35-S196 VanDerWaalsContact OH-N 3.11Å; Y35-S196 PolarHBondContact OH-O 2.86Å; Y35-S196 VanDerWaalsContact OH-O 3.06Å; Y35-S196 PolarHBondContact OH-OG 2.82Å; Y35-E199 HydrophobicContact CE2-CB 3.59Å; Y35-E199 PolarHBondContact OH-OE2 3.44Å; Y35-Y200 HydrophobicContact CD2-CD2 4.41Å; Y35-Y200 VanDerWaalsContact CE2-CA 3.48Å; Y35-Y200 HydrophobicContact CE2-CD2 4.39Å; Y35-C203 HydrophobicContact CD2-CB 4.16Å |
| 36 | A | 50.5 | Low | 58.4 | Low | 63 Ų | 63 | 63.2 Ų | 63.2 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 53.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | G38 | A36-G38 PolarHBondContact O-N 3.31Å; A36-G38 VanDerWaalsContact O-N 3.11Å |
| 37 | D | 53.7 | Low | 60.2 | Low | 185 Ų | 185 | 64.4 Ų | 64.4 | 99% | 0.989 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 3.6 | -179.9 | -53.5 | -38 | 0 | 0 | 0 | 116.4 | Y35 | Y35-D37 PolarHBondContact O-N 2.93Š|
| 38 | G | 62.4 | Low | 61.8 | Low | 19 Ų | 19 | 64 Ų | 64 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T34 Y35 A36 V40 | T34-G38 CarbonylContact C-O 3.53Å; T34-G38 VanDerWaalsContact CA-O 3.27Å; T34-G38 WeakPolarHBondContact CA-O 3.46Å; Y35-G38 PolarHBondContact N-O 3.2Å; Y35-G38 PolarHBondContact O-N 3.48Å; Y35-G38 VanDerWaalsContact O-O 3.11Å; A36-G38 PolarHBondContact O-N 3.31Å; A36-G38 VanDerWaalsContact O-N 3.11Å; G38-V40 PolarHBondContact O-N 3.04Å |
| 39 | K | 70.2 | Confident | 62.5 | Low | 139 Ų | 139 | 68.1 Ų | 68.1 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 104.8 | 167 | -70 | -179.3 | -171.1 | 177.2 | 0 | 108.8 | K32 L33 T34 | K32-K39 HydrophobicContact CB-CB 4.08Å; K32-K39 HydrophobicContact CB-CD 4.4Å; K32-K39 HydrophobicContact CB-CG 4.35Å; K32-K39 HydrophobicContact CD-CB 4.23Å; K32-K39 HydrophobicContact CD-CD 3.78Å; K32-K39 HydrophobicContact CD-CG 4.48Å; L33-K39 CarbonylContact O-C 3.49Å; T34-K39 HydrophobicContact CG2-CG 4.15Å |
| 40 | V | 79.8 | Confident | 63.5 | Low | 12 Ų | 12 | 62.4 Ų | 62.4 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 123.7 | 167.2 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | K32 L33 G38 T61 | K32-V40 CarbonylContact C-O 3.47Å; K32-V40 WeakPolarHBondContact CA-O 3.35Å; L33-V40 HydrophobicContact CB-CB 4.1Å; L33-V40 HydrophobicContact CD2-CB 4.32Å; L33-V40 HydrophobicContact CD2-CG1 4.48Å; L33-V40 PolarHBondContact N-O 3.17Å; L33-V40 VanDerWaalsContact O-CA 3.28Å; L33-V40 WeakPolarHBondContact O-CA 3.48Å; L33-V40 VanDerWaalsContact O-CB 3.27Å; L33-V40 WeakPolarHBondContact O-CB 3.41Å; L33-V40 PolarHBondContact O-N 3.41Å; G38-V40 PolarHBondContact O-N 3.04Å; V40-T61 CarbonylContact C-O 3.56Å; V40-T61 WeakPolarHBondContact CA-O 3.33Å; V40-T61 HydrophobicContact CG2-CG2 4.11Å |
| 41 | A | 82.4 | Confident | 63.9 | Low | 11 Ų | 11 | 63.2 Ų | 63.2 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | trans | -107.9 | 155 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T61 | A41-T61 PolarHBondContact N-O 2.77Š| ||
| 42 | A | 82.7 | Confident | 64.2 | Low | 10 Ų | 10 | 66.3 Ų | 66.3 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | trans | -81.3 | 144.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G44 L45 D120 F121 | A42-G44 VanDerWaalsContact C-N 3.28Å; A42-G44 PolarHBondContact O-N 3.4Å; A42-L45 HydrophobicContact CB-CD1 3.7Å; A42-L45 HydrophobicContact CB-CG 3.99Å; A42-L45 WeakPolarHBondContact O-CB 3.21Å; A42-L45 PolarHBondContact O-N 3.37Å; A42-L45 VanDerWaalsContact O-N 3.09Å; A42-D120 VanDerWaalsContact CA-OD2 3.26Å; A42-D120 WeakPolarHBondContact CA-OD2 3.29Å; A42-F121 HydrophobicContact CB-CE1 4.07Å; A42-F121 HydrophobicContact CB-CE2 4.11Å; A42-F121 HydrophobicContact CB-CZ 3.52Å | ||
| 43 | L | 84.7 | Confident | 64.5 | Low | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -55.8 | -41.8 | -176.3 | -74.8 | 169.1 | 0 | 0 | 0 | 112.1 | L45 I46 V62 D120 S122 S123 L172 | L43-L45 PolarHBondContact O-N 3.25Å; L43-L45 VanDerWaalsContact O-N 3.14Å; L43-I46 HydrophobicContact CD2-CD1 4.27Å; L43-I46 PolarHBondContact O-N 3.36Å; L43-I46 VanDerWaalsContact O-N 3.17Å; L43-V62 HydrophobicContact CD1-CG1 4.19Å; L43-V62 HydrophobicContact CD2-CB 4.36Å; L43-V62 HydrophobicContact CD2-CG1 3.71Å; L43-V62 HydrophobicContact CD2-CG2 3.98Å; L43-V62 HydrophobicContact CG-CG1 3.57Å; L43-V62 HydrophobicContact CG-CG2 4.49Å; L43-D120 HydrophobicContact CD1-CB 4.09Å; L43-D120 HydrophobicContact CG-CB 4.48Å; L43-D120 PolarHBondContact N-OD2 3.04Å; L43-S122 PolarHBondContact N-OG 3.44Å; L43-S123 WeakPolarHBondContact CB-OG 3.31Å; L43-L172 HydrophobicContact CD2-CD1 4.04Å |
| 44 | G | 81.3 | Confident | 64.9 | Low | 46 Ų | 46 | 67.8 Ų | 67.8 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -67.7 | -10.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A42 S122 S123 | A42-G44 VanDerWaalsContact C-N 3.28Å; A42-G44 PolarHBondContact O-N 3.4Å; G44-S122 PolarHBondContact N-OG 3.02Å; G44-S123 WeakPolarHBondContact CA-OG 3.39Å; G44-S123 PolarHBondContact N-OG 3.47Å; G44-S123 VanDerWaalsContact N-OG 3.12Å |
| 45 | L | 78.2 | Confident | 65.5 | Low | 62 Ų | 62 | 71.7 Ų | 71.7 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -100.9 | -7.8 | 178.7 | -50.6 | 169.9 | 0 | 0 | 0 | 113.3 | P30 A42 L43 D47 | P30-L45 HydrophobicContact CB-CD1 3.26Å; P30-L45 HydrophobicContact CB-CD2 3.27Å; P30-L45 HydrophobicContact CB-CG 3.74Å; P30-L45 HydrophobicContact CG-CD1 3.63Å; P30-L45 HydrophobicContact CG-CD2 3.12Å; P30-L45 HydrophobicContact CG-CG 3.84Å; A42-L45 HydrophobicContact CB-CD1 3.7Å; A42-L45 HydrophobicContact CB-CG 3.99Å; A42-L45 WeakPolarHBondContact O-CB 3.21Å; A42-L45 PolarHBondContact O-N 3.37Å; A42-L45 VanDerWaalsContact O-N 3.09Å; L43-L45 PolarHBondContact O-N 3.25Å; L43-L45 VanDerWaalsContact O-N 3.14Å; L45-D47 VanDerWaalsContact C-N 3.28Å; L45-D47 PolarHBondContact O-N 3.08Å |
| 46 | I | 79.5 | Confident | 66.6 | Low | 10 Ų | 10 | 77.9 Ų | 77.9 | 5% | 0.051 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -76.4 | 95.7 | 177.6 | -58.6 | 174.7 | 0 | 0 | 0 | 105 | L43 T48 F60 V62 V174 F187 | L43-I46 HydrophobicContact CD2-CD1 4.27Å; L43-I46 PolarHBondContact O-N 3.36Å; L43-I46 VanDerWaalsContact O-N 3.17Å; I46-T48 PolarHBondContact O-N 3.27Å; I46-F60 HydrophobicContact CD1-CB 3.97Å; I46-F60 HydrophobicContact CD1-CD2 4.39Å; I46-F60 HydrophobicContact CD1-CG 4.13Å; I46-F60 HydrophobicContact CG1-CD1 4.39Å; I46-F60 HydrophobicContact CG1-CD2 4.48Å; I46-F60 HydrophobicContact CG1-CG 4.21Å; I46-F60 HydrophobicContact CG2-CD2 3.8Å; I46-F60 HydrophobicContact CG2-CE2 3.68Å; I46-F60 HydrophobicContact CG2-CG 4.34Å; I46-F60 HydrophobicContact CG2-CZ 4.15Å; I46-V62 HydrophobicContact CD1-CG2 3.76Å; I46-V174 HydrophobicContact CG2-CG2 4.07Å; I46-F187 HydrophobicContact CB-CE1 4.41Å; I46-F187 HydrophobicContact CD1-CE1 4.38Å; I46-F187 HydrophobicContact CG2-CE1 3.94Å; I46-F187 HydrophobicContact CG2-CZ 4.46Å |
| 47 | D | 64.3 | Low | 68.1 | Low | 120 Ų | 120 | 75.3 Ų | 75.3 | 64% | 0.642 | 43% | 0.428 | S | S | * | . | trans | -52 | 125.8 | 179.3 | -65.1 | -35.9 | 0 | 0 | 0 | 109.1 | L45 E49 C50 | L45-D47 VanDerWaalsContact C-N 3.28Å; L45-D47 PolarHBondContact O-N 3.08Å; D47-E49 PolarHBondContact O-N 3.49Å; D47-E49 VanDerWaalsContact O-N 3.16Å; D47-C50 PolarHBondContact O-N 3.18Å; D47-C50 PolarHBondContact O-SG 3.19Å | ||
| 48 | T | 60 | Low | 69.7 | Low | 91 Ų | 91 | 68.4 Ų | 68.4 | 56% | 0.558 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -60.3 | -21.4 | 171.7 | 40.8 | 0 | 0 | 0 | 0 | 111.6 | I46 C50 Q176 V185 | I46-T48 PolarHBondContact O-N 3.27Å; T48-C50 PolarHBondContact O-N 3.43Å; T48-C50 VanDerWaalsContact O-N 3.12Å; T48-Q176 PolarHBondContact O-NE2 3.16Å; T48-V185 HydrophobicContact CG2-CG2 4.11Å; T48-V185 WeakPolarHBondContact O-CG2 3.36Å |
| 49 | E | 53 | Low | 71 | Confident | 161 Ų | 161 | 72.1 Ų | 72.1 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | trans | -84.7 | 53.7 | 171.5 | -58.6 | -175.1 | -172.8 | 0 | 0 | 110.8 | D47 S51 | D47-E49 PolarHBondContact O-N 3.49Å; D47-E49 VanDerWaalsContact O-N 3.16Å; E49-S51 PolarHBondContact O-N 2.86Å | ||
| 50 | C | 55.4 | Low | 71.9 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 8% | 0.081 | 38% | 0.381 | C | S | . | . | trans | -51.9 | 137.8 | 163.9 | -54.6 | 0 | 0 | 0 | 0 | 108.2 | D47 T48 S52 V174 | D47-C50 PolarHBondContact O-N 3.18Å; D47-C50 PolarHBondContact O-SG 3.19Å; T48-C50 PolarHBondContact O-N 3.43Å; T48-C50 VanDerWaalsContact O-N 3.12Å; C50-S52 PolarHBondContact O-N 3.29Å; C50-V174 WeakPolarHBondContact SG-CG1 3.17Å | ||
| 51 | S | 50.4 | Low | 72.4 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 52% | 0.517 | 38% | 0.384 | S | S | . | . | trans | -54.1 | 110.7 | -170.4 | -73.3 | 0 | 0 | 0 | 0 | 110.1 | E49 S53 N54 D58 | E49-S51 PolarHBondContact O-N 2.86Å; S51-S53 PolarHBondContact O-N 3.08Å; S51-N54 PolarHBondContact O-N 2.92Å; S51-N54 VanDerWaalsContact O-N 3.17Å; S51-D58 PolarHBondContact N-OD2 2.94Å | ||
| 52 | S | 50.3 | Low | 72.8 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 82% | 0.818 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -5.8 | -177.2 | 51.1 | 0 | 0 | 0 | 0 | 114 | C50 | C50-S52 PolarHBondContact O-N 3.29Š|
| 53 | S | 55.1 | Low | 73.1 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 64% | 0.643 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -17.5 | 179.3 | 61.1 | 0 | 0 | 0 | 0 | 115.1 | S51 | S51-S53 PolarHBondContact O-N 3.08Š|
| 54 | N | 60.9 | Low | 73.4 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | trans | -107.5 | 100.3 | -173.2 | -69.7 | -18 | 0 | 0 | 0 | 111.4 | S51 Q56 G57 | S51-N54 PolarHBondContact O-N 2.92Å; S51-N54 VanDerWaalsContact O-N 3.17Å; N54-Q56 PolarHBondContact O-N 2.97Å; N54-G57 PolarHBondContact O-N 3.49Å | ||
| 55 | E | 67.1 | Low | 74 | Confident | 177 Ų | 177 | 68.1 Ų | 68.1 | 83% | 0.827 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -23.1 | 170.9 | -66.8 | -172.6 | 161.8 | 0 | 0 | 112.9 | G57 | E55-G57 VanDerWaalsContact C-N 3.35Š|
| 56 | Q | 76.5 | Confident | 74.8 | Confident | 141 Ų | 141 | 65.1 Ų | 65.1 | 66% | 0.659 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.5 | -179.9 | -157.2 | 166.5 | 19.8 | 0 | 0 | 113.6 | N54 R173 | N54-Q56 PolarHBondContact O-N 2.97Å; Q56-R173 PolarHBondContact O-NE 3.21Å; Q56-R173 PolarHBondContact O-NH2 2.69Å |
| 57 | G | 82.9 | Confident | 75.5 | Confident | 10 Ų | 10 | 67.6 Ų | 67.6 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | trans | 69.3 | 162.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N54 E55 V174 | N54-G57 PolarHBondContact O-N 3.49Å; E55-G57 VanDerWaalsContact C-N 3.35Å; G57-V174 CarbonylContact C-O 3.52Å; G57-V174 VanDerWaalsContact CA-O 3.28Å; G57-V174 WeakPolarHBondContact CA-O 3.41Å | ||
| 58 | D | 87.6 | Confident | 76.9 | Confident | 40 Ų | 40 | 65.8 Ų | 65.8 | 21% | 0.214 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145.3 | -175 | -67.7 | -37.8 | 0 | 0 | 0 | 111.3 | S51 F60 R173 V174 | S51-D58 PolarHBondContact N-OD2 2.94Å; D58-F60 HydrophobicContact CB-CD2 4.41Å; D58-F60 HydrophobicContact CB-CE2 3.51Å; D58-F60 HydrophobicContact CB-CZ 3.85Å; D58-R173 CarbonylContact O-C 3.59Å; D58-R173 WeakPolarHBondContact O-CA 3.15Å; D58-V174 PolarHBondContact N-O 2.92Å; D58-V174 PolarHBondContact O-N 3.41Å |
| 59 | Y | 89.2 | Confident | 78.5 | Confident | 97 Ų | 97 | 61.5 Ų | 61.5 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.1 | -178.3 | -65.2 | -100.2 | 0 | 0 | 0 | 110.9 | L172 R173 V190 | Y59-L172 CarbonylContact C-O 3.48Å; Y59-L172 WeakPolarHBondContact CA-O 3.11Å; Y59-R173 HydrophobicContact CD1-CB 4.06Å; Y59-R173 HydrophobicContact CD1-CG 4.46Å; Y59-R173 HydrophobicContact CE1-CB 3.91Å; Y59-R173 HydrophobicContact CE1-CG 4.05Å; Y59-R173 HydrophobicContact CE2-CG 4.48Å; Y59-V190 HydrophobicContact CD1-CG2 4.25Å; Y59-V190 HydrophobicContact CE1-CG2 3.92Å |
| 60 | F | 89 | Confident | 80.5 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.8 | 177.9 | -58.7 | -81.9 | 0 | 0 | 0 | 110.4 | I46 D58 R171 L172 V174 | I46-F60 HydrophobicContact CD1-CB 3.97Å; I46-F60 HydrophobicContact CD1-CD2 4.39Å; I46-F60 HydrophobicContact CD1-CG 4.13Å; I46-F60 HydrophobicContact CG1-CD1 4.39Å; I46-F60 HydrophobicContact CG1-CD2 4.48Å; I46-F60 HydrophobicContact CG1-CG 4.21Å; I46-F60 HydrophobicContact CG2-CD2 3.8Å; I46-F60 HydrophobicContact CG2-CE2 3.68Å; I46-F60 HydrophobicContact CG2-CG 4.34Å; I46-F60 HydrophobicContact CG2-CZ 4.15Å; D58-F60 HydrophobicContact CB-CD2 4.41Å; D58-F60 HydrophobicContact CB-CE2 3.51Å; D58-F60 HydrophobicContact CB-CZ 3.85Å; F60-R171 CarbonylContact O-C 3.48Å; F60-R171 WeakPolarHBondContact O-CA 3.43Å; F60-L172 PolarHBondContact N-O 2.97Å; F60-L172 PolarHBondContact O-N 3.04Å; F60-V174 HydrophobicContact CD2-CB 4.42Å; F60-V174 HydrophobicContact CD2-CG2 3.74Å; F60-V174 HydrophobicContact CE2-CB 4.32Å; F60-V174 HydrophobicContact CE2-CG2 4.09Å |
| 61 | T | 89.9 | Confident | 82.2 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.4 | 171.2 | -55.4 | 0 | 0 | 0 | 0 | 107.6 | V40 A41 L169 F170 | V40-T61 CarbonylContact C-O 3.56Å; V40-T61 WeakPolarHBondContact CA-O 3.33Å; V40-T61 HydrophobicContact CG2-CG2 4.11Å; A41-T61 PolarHBondContact N-O 2.77Å; T61-L169 HydrophobicContact CG2-CD1 4.46Å; T61-L169 HydrophobicContact CG2-CD2 3.25Å; T61-L169 HydrophobicContact CG2-CG 3.92Å; T61-F170 CarbonylContact C-O 3.51Å; T61-F170 WeakPolarHBondContact CA-O 3.09Å |
| 62 | V | 90 | Very high | 84.1 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 130.8 | -173.5 | 175.2 | 0 | 0 | 0 | 0 | 108.2 | L43 I46 F170 L172 | L43-V62 HydrophobicContact CD1-CG1 4.19Å; L43-V62 HydrophobicContact CD2-CB 4.36Å; L43-V62 HydrophobicContact CD2-CG1 3.71Å; L43-V62 HydrophobicContact CD2-CG2 3.98Å; L43-V62 HydrophobicContact CG-CG1 3.57Å; L43-V62 HydrophobicContact CG-CG2 4.49Å; I46-V62 HydrophobicContact CD1-CG2 3.76Å; V62-F170 PolarHBondContact N-O 3.17Å; V62-F170 PolarHBondContact O-N 2.84Å; V62-L172 HydrophobicContact CB-CD1 4.4Å; V62-L172 HydrophobicContact CG2-CD1 4.03Å |
| 63 | K | 90.2 | Very high | 86.1 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 10% | 0.104 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 124.1 | 161.1 | -179.4 | -175.8 | 172.3 | -174.9 | 0 | 107.4 | V195 Y200 E236 | K63-V195 HydrophobicContact CD-CG1 4.27Å; K63-V195 HydrophobicContact CD-CG2 4.31Å; K63-V195 HydrophobicContact CG-CG2 4.07Å; K63-Y200 HydrophobicContact CD-CD1 4.35Å; K63-Y200 HydrophobicContact CD-CD2 3.73Å; K63-Y200 HydrophobicContact CD-CE1 3.9Å; K63-Y200 HydrophobicContact CD-CE2 3.22Å; K63-Y200 HydrophobicContact CD-CG 4.26Å; K63-Y200 HydrophobicContact CG-CE2 4.43Å; K63-E236 IonicContact NZ-OE1 3.74Å; K63-E236 PolarHBondContact NZ-OE1 3.22Å; K63-E236 IonicContact NZ-OE2 2.82Å; K63-E236 PolarHBondContact NZ-OE2 2.88Å |
| 64 | G | 91.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 159.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C119 N167 F168 | G64-C119 CarbonylContact C-O 3.51Å; G64-C119 VanDerWaalsContact CA-O 3.26Å; G64-C119 WeakPolarHBondContact CA-O 3.06Å; G64-N167 WeakPolarHBondContact O-CA 3.4Å; G64-F168 PolarHBondContact N-O 3.09Å; G64-F168 PolarHBondContact O-N 2.88Å |
| 65 | T | 93.5 | Very high | 89.5 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.8 | 173.3 | -48.1 | 0 | 0 | 0 | 0 | 109.1 | L67 I118 C119 R166 N167 | T65-L67 PolarHBondContact O-N 3.41Å; T65-I118 CarbonylContact O-C 3.56Å; T65-I118 WeakPolarHBondContact O-CA 3.26Å; T65-C119 PolarHBondContact N-O 3.34Å; T65-C119 PolarHBondContact O-N 3.13Å; T65-R166 WeakPolarHBondContact CA-O 3.46Å; T65-N167 WeakPolarHBondContact CB-OD1 3.36Å; T65-N167 WeakPolarHBondContact CG2-OD1 3.4Å; T65-N167 PolarHBondContact OG1-OD1 2.79Å |
| 66 | I | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.9 | 173.5 | -65 | 174.6 | 0 | 0 | 0 | 108.9 | V69 V116 L137 V163 F165 R166 F168 F170 | I66-V69 HydrophobicContact CG2-CG2 3.88Å; I66-V116 HydrophobicContact CB-CG1 4.37Å; I66-V116 HydrophobicContact CD1-CG1 4.24Å; I66-V116 HydrophobicContact CG1-CG1 3.97Å; I66-V116 HydrophobicContact CG2-CG1 3.67Å; I66-L137 HydrophobicContact CD1-CD1 3.52Å; I66-L137 HydrophobicContact CD1-CD2 3.95Å; I66-L137 HydrophobicContact CD1-CG 4.24Å; I66-V163 HydrophobicContact CD1-CG1 3.65Å; I66-F165 VanDerWaalsContact O-CA 3.29Å; I66-F165 WeakPolarHBondContact O-CA 3.28Å; I66-F165 PolarHBondContact O-N 2.61Å; I66-R166 PolarHBondContact N-O 3.08Å; I66-F168 HydrophobicContact CD1-CD2 3.67Å; I66-F168 HydrophobicContact CD1-CE2 3.71Å; I66-F168 HydrophobicContact CG1-CD2 4.24Å; I66-F170 HydrophobicContact CD1-CZ 4Å; I66-F170 HydrophobicContact CG1-CZ 3.8Å |
| 67 | L | 94.1 | Very high | 91.7 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 33% | 0.325 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -41.2 | 175.6 | -66.5 | -174.7 | 0 | 0 | 0 | 112.3 | T65 R117 C119 V124 T164 F165 | T65-L67 PolarHBondContact O-N 3.41Å; L67-R117 HydrophobicContact CB-CB 4.45Å; L67-R117 PolarHBondContact N-O 3.19Å; L67-C119 HydrophobicContact CD1-CB 3.54Å; L67-C119 HydrophobicContact CD2-CB 3.83Å; L67-C119 HydrophobicContact CG-CB 3.52Å; L67-V124 HydrophobicContact CD1-CG1 3.76Å; L67-V124 HydrophobicContact CD1-CG2 3.96Å; L67-T164 VanDerWaalsContact O-CG2 3.25Å; L67-T164 WeakPolarHBondContact O-CG2 3.27Å; L67-F165 HydrophobicContact CD2-CE1 4.2Å |
| 68 | N | 93.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 41.4 Ų | 41.4 | 44% | 0.439 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 147.5 | -176 | -168.9 | -1.2 | 0 | 0 | 0 | 110.3 | R117 | N68-R117 PolarHBondContact O-N 3.1Å |
| 69 | V | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.4 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | I66 R71 L114 V116 F160 | I66-V69 HydrophobicContact CG2-CG2 3.88Å; V69-R71 WeakPolarHBondContact O-CG 3.22Å; V69-R71 PolarHBondContact O-N 3.1Å; V69-L114 HydrophobicContact CG1-CD2 4.36Å; V69-V116 HydrophobicContact CG1-CG2 4.18Å; V69-V116 HydrophobicContact CG2-CG1 4.14Å; V69-V116 HydrophobicContact CG2-CG2 4.19Å; V69-F160 HydrophobicContact CB-CD1 3.93Å; V69-F160 HydrophobicContact CG1-CD1 3.58Å; V69-F160 HydrophobicContact CG1-CE1 3.81Å |
| 70 | N | 93.3 | Very high | 92.9 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 32% | 0.316 | 19% | 0.187 | S | C | . | . | trans | -71.1 | 113 | 175.3 | -173.1 | -14.3 | 0 | 0 | 0 | 110.4 | E72 T73 N115 | N70-E72 PolarHBondContact OD1-N 3.41Å; N70-E72 VanDerWaalsContact OD1-N 3.07Å; N70-T73 PolarHBondContact ND2-OG1 2.9Å; N70-N115 HydrophobicContact CB-CB 4.19Å; N70-N115 WeakPolarHBondContact CB-O 3.39Å; N70-N115 PolarHBondContact N-O 2.96Å | ||
| 71 | R | 91.7 | Very high | 93.1 | Very high | 70 Ų | 70 | 38.7 Ų | 38.7 | 26% | 0.264 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -85.1 | -27.3 | -176 | -49.2 | -177.8 | -163.5 | -176.3 | -3.5 | 112.8 | V69 C74 F156 D157 F160 D161 | V69-R71 WeakPolarHBondContact O-CG 3.22Å; V69-R71 PolarHBondContact O-N 3.1Å; R71-C74 PolarHBondContact O-SG 3.41Å; R71-F156 HydrophobicContact CB-CE1 4.33Å; R71-D157 WeakPolarHBondContact CD-OD1 3.49Å; R71-D157 IonicContact CZ-OD1 2.91Å; R71-D157 IonicContact NE-OD1 3.17Å; R71-D157 VanDerWaalsContact NH1-CB 3.34Å; R71-D157 IonicContact NH1-OD1 2.61Å; R71-D157 PolarHBondContact NH1-OD1 3.02Å; R71-D157 IonicContact NH1-OD2 3.33Å; R71-F160 HydrophobicContact CG-CB 4.47Å; R71-F160 HydrophobicContact CG-CD2 4.18Å; R71-F160 HydrophobicContact CG-CG 4.15Å; R71-D161 IonicContact CZ-OD1 3.93Å; R71-D161 IonicContact NH1-OD2 3.86Å; R71-D161 IonicContact NH2-OD1 2.69Å; R71-D161 PolarHBondContact NH2-OD1 3.01Å; R71-D161 IonicContact NH2-OD2 2.7Å |
| 72 | E | 90.5 | Very high | 93 | Very high | 166 Ų | 166 | 42.3 Ų | 42.3 | 78% | 0.776 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -43.3 | -174.6 | -62 | 179.5 | 179.2 | 0 | 0 | 112 | N70 | N70-E72 PolarHBondContact OD1-N 3.41Å; N70-E72 VanDerWaalsContact OD1-N 3.07Å |
| 73 | T | 91.6 | Very high | 92.9 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 41% | 0.405 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 18.9 | -175.4 | 69.8 | 0 | 0 | 0 | 0 | 113.2 | N70 M75 L113 | N70-T73 PolarHBondContact ND2-OG1 2.9Å; T73-M75 VanDerWaalsContact C-N 3.29Å; T73-M75 PolarHBondContact O-N 3.01Å; T73-L113 VanDerWaalsContact O-O 3.05Å |
| 74 | C | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -68.5 | -23.8 | -171 | 64.6 | 0 | 0 | 0 | 0 | 114.3 | R71 L112 L113 L114 F160 | R71-C74 PolarHBondContact O-SG 3.41Å; C74-L112 WeakPolarHBondContact O-CA 2.99Å; C74-L113 CarbonylContact O-C 3.54Å; C74-L113 PolarHBondContact O-N 2.82Å; C74-L114 HydrophobicContact CB-CD2 3.46Å; C74-L114 VanDerWaalsContact CB-CD2 3.46Å; C74-F160 HydrophobicContact CB-CZ 4.38Å |
| 75 | M | 94 | Very high | 93.1 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.7 | -173.8 | -72.2 | -176.8 | -74.1 | 0 | 0 | 111.3 | T73 W110 R111 L112 V142 L145 R149 F156 | T73-M75 VanDerWaalsContact C-N 3.29Å; T73-M75 PolarHBondContact O-N 3.01Å; M75-W110 HydrophobicContact CB-CE3 4Å; M75-W110 HydrophobicContact CB-CZ3 4.34Å; M75-R111 WeakPolarHBondContact CA-O 3.25Å; M75-L112 HydrophobicContact CG-CD2 3.4Å; M75-L112 VanDerWaalsContact CG-CD2 3.4Å; M75-L112 HydrophobicContact CG-CG 4.48Å; M75-L112 HydrophobicContact SD-CD2 4.09Å; M75-V142 HydrophobicContact SD-CG1 4.37Å; M75-L145 HydrophobicContact CE-CD2 4.26Å; M75-L145 HydrophobicContact CE-CG 4.38Å; M75-L145 HydrophobicContact SD-CD2 3.99Å; M75-L145 HydrophobicContact SD-CG 4.36Å; M75-R149 HydrophobicContact CE-CB 4.33Å; M75-R149 VanDerWaalsContact CE-CD 3.44Å; M75-R149 HydrophobicContact CE-CG 4.49Å; M75-F156 HydrophobicContact CE-CE2 3.79Å; M75-F156 HydrophobicContact CE-CZ 4.21Å |
| 76 | Y | 94.7 | Very high | 93.1 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 150 | 174.6 | 68.8 | -84.3 | 0 | 0 | 0 | 111.9 | A78 S85 K87 R111 L113 | Y76-A78 HydrophobicContact CD2-CB 4.25Å; Y76-A78 HydrophobicContact CE2-CB 3.76Å; Y76-A78 PolarHBondContact O-N 3.04Å; Y76-S85 WeakPolarHBondContact CE2-O 3.33Å; Y76-S85 PolarHBondContact OH-O 3.49Å; Y76-K87 HydrophobicContact CD2-CB 3.9Å; Y76-K87 HydrophobicContact CD2-CG 4.14Å; Y76-K87 HydrophobicContact CE2-CB 4.26Å; Y76-R111 WeakPolarHBondContact CD1-O 3.21Å; Y76-R111 HydrophobicContact CE1-CB 3.92Å; Y76-R111 HydrophobicContact CE2-CB 4.39Å; Y76-R111 PolarHBondContact N-O 2.82Å; Y76-R111 PolarHBondContact O-N 3.41Å; Y76-R111 VanDerWaalsContact O-N 3.09Å; Y76-L113 HydrophobicContact CD1-CB 3.89Å; Y76-L113 HydrophobicContact CE1-CB 3.92Å |
| 77 | P | 94.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 20% | 0.201 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 122.3 | 174.8 | 30.6 | -34.4 | 0 | 0 | 0 | 109.6 | K87 V88 F108 | P77-K87 WeakPolarHBondContact O-CA 3.12Å; P77-V88 HydrophobicContact CB-CG2 3.8Å; P77-V88 HydrophobicContact CG-CG2 4.28Å; P77-V88 WeakPolarHBondContact O-CG2 3.42Å; P77-V88 PolarHBondContact O-N 2.81Å; P77-F108 HydrophobicContact CB-CB 4.31Å; P77-F108 HydrophobicContact CB-CD2 3.51Å; P77-F108 HydrophobicContact CB-CE2 3.93Å; P77-F108 HydrophobicContact CB-CG 3.9Å |
| 78 | A | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 165.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y76 T109 R111 | Y76-A78 HydrophobicContact CD2-CB 4.25Å; Y76-A78 HydrophobicContact CE2-CB 3.76Å; Y76-A78 PolarHBondContact O-N 3.04Å; A78-T109 WeakPolarHBondContact CA-O 3.48Å; A78-T109 WeakPolarHBondContact CB-O 3.36Å; A78-T109 PolarHBondContact N-O 2.88Å; A78-T109 PolarHBondContact O-N 3.14Å; A78-T109 VanDerWaalsContact O-N 3.08Å; A78-R111 HydrophobicContact CB-CB 4.17Å; A78-R111 HydrophobicContact CB-CG 3.66Å |
| 79 | C | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -58.4 | 134.6 | 175.5 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | F81 C84 K86 V88 C98 | C79-F81 PolarHBondContact O-N 3.32Å; C79-C84 HydrophobicContact CB-CB 3.79Å; C79-C84 VanDerWaalsContact CB-SG 3.58Å; C79-K86 PolarHBondContact N-O 3.11Å; C79-K86 VanDerWaalsContact N-O 3.12Å; C79-V88 HydrophobicContact CB-CG1 4.26Å; C79-C98 HydrophobicContact CB-CB 4.15Å; C79-C98 VanDerWaalsContact SG-SG 3.64Å | ||
| 80 | P | 94.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -71.8 | -10.3 | 179.6 | 29.4 | -35.9 | 0 | 0 | 0 | 113.5 | Y105 | P80-Y105 HydrophobicContact CG-CD1 3.65Å; P80-Y105 HydrophobicContact CG-CD2 3.83Å; P80-Y105 HydrophobicContact CG-CE1 4.11Å; P80-Y105 HydrophobicContact CG-CE2 4.26Å; P80-Y105 HydrophobicContact CG-CG 3.49Å; P80-Y105 VanDerWaalsContact CG-CG 3.49Å |
| 81 | F | 92.3 | Very high | 93.2 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -72.8 | 131.5 | 176.7 | -163.4 | -98.8 | 0 | 0 | 0 | 110.7 | C79 D83 C84 | C79-F81 PolarHBondContact O-N 3.32Å; F81-D83 VanDerWaalsContact C-N 3.32Å; F81-D83 HydrophobicContact CD1-CB 4.16Å; F81-D83 HydrophobicContact CE1-CB 4.05Å; F81-D83 PolarHBondContact O-N 2.87Å; F81-C84 HydrophobicContact CB-CB 4.23Å; F81-C84 PolarHBondContact O-N 2.83Å |
| 82 | P | 87.8 | Confident | 93.2 | Very high | 96 Ų | 96 | 63.8 Ų | 63.8 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -42.1 | -170.3 | 18.8 | -31.6 | 0 | 0 | 0 | 113.3 | C84 R111 | P82-C84 VanDerWaalsContact C-N 3.27Å; P82-C84 PolarHBondContact O-N 2.94Å; P82-R111 PolarHBondContact O-NH2 3.18Å |
| 83 | D | 89.5 | Confident | 93.2 | Very high | 130 Ų | 130 | 60.4 Ų | 60.4 | 70% | 0.695 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 7.6 | -176.8 | -55.2 | -38.4 | 0 | 0 | 0 | 114.6 | F81 | F81-D83 VanDerWaalsContact C-N 3.32Å; F81-D83 HydrophobicContact CD1-CB 4.16Å; F81-D83 HydrophobicContact CE1-CB 4.05Å; F81-D83 PolarHBondContact O-N 2.87Å |
| 84 | C | 93 | Very high | 93.2 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | trans | -122.9 | 107.6 | -176.7 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | C79 F81 P82 R111 | C79-C84 HydrophobicContact CB-CB 3.79Å; C79-C84 VanDerWaalsContact CB-SG 3.58Å; F81-C84 HydrophobicContact CB-CB 4.23Å; F81-C84 PolarHBondContact O-N 2.83Å; P82-C84 VanDerWaalsContact C-N 3.27Å; P82-C84 PolarHBondContact O-N 2.94Å; C84-R111 PolarHBondContact O-NH2 3.32Å | ||
| 85 | S | 91.9 | Very high | 93.2 | Very high | 63 Ų | 63 | 62.4 Ų | 62.4 | 44% | 0.441 | 34% | 0.342 | S | S | . | . | trans | -94.1 | 6.4 | 176.2 | 57 | 0 | 0 | 0 | 0 | 114.5 | Y76 R111 | Y76-S85 WeakPolarHBondContact CE2-O 3.33Å; Y76-S85 PolarHBondContact OH-O 3.49Å; S85-R111 VanDerWaalsContact CB-NH1 3.25Å | ||
| 86 | K | 94.1 | Very high | 93.2 | Very high | 83 Ų | 83 | 64 Ų | 64 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 136.2 | -176.6 | -164.9 | 171 | -173.8 | -174.8 | 0 | 109.9 | C79 V88 E99 K100 | C79-K86 PolarHBondContact N-O 3.11Å; C79-K86 VanDerWaalsContact N-O 3.12Å; K86-V88 PolarHBondContact O-N 3.3Å; K86-E99 HydrophobicContact CD-CB 4.18Å; K86-E99 WeakPolarHBondContact CE-OE2 3.26Å; K86-E99 VanDerWaalsContact NZ-CB 3.27Å; K86-E99 IonicContact NZ-OE2 2.68Å; K86-E99 PolarHBondContact NZ-OE2 3.38Å; K86-K100 HydrophobicContact CB-CB 4.1Å; K86-K100 HydrophobicContact CD-CB 3.7Å; K86-K100 HydrophobicContact CG-CB 4.5Å |
| 87 | K | 95.3 | Very high | 93.2 | Very high | 133 Ų | 133 | 67.2 Ų | 67.2 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | B | Isolated β-bridge | trans | -57 | 132.7 | 172.4 | -177.1 | 176.6 | 178.3 | 179.5 | 0 | 109.7 | Y76 P77 | Y76-K87 HydrophobicContact CD2-CB 3.9Å; Y76-K87 HydrophobicContact CD2-CG 4.14Å; Y76-K87 HydrophobicContact CE2-CB 4.26Å; P77-K87 WeakPolarHBondContact O-CA 3.12Å |
| 88 | V | 95.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 151.5 | 175.1 | -68.6 | 0 | 0 | 0 | 0 | 110.8 | P77 C79 K86 Y96 C98 F108 | P77-V88 HydrophobicContact CB-CG2 3.8Å; P77-V88 HydrophobicContact CG-CG2 4.28Å; P77-V88 WeakPolarHBondContact O-CG2 3.42Å; P77-V88 PolarHBondContact O-N 2.81Å; C79-V88 HydrophobicContact CB-CG1 4.26Å; K86-V88 PolarHBondContact O-N 3.3Å; V88-Y96 HydrophobicContact CG2-CD1 3.93Å; V88-Y96 HydrophobicContact CG2-CG 4.25Å; V88-C98 HydrophobicContact CG1-CB 4.2Å; V88-F108 HydrophobicContact CG2-CB 3.98Å |
| 89 | I | 95 | Very high | 93.2 | Very high | 85 Ų | 85 | 70.4 Ų | 70.4 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.9 | 174.4 | -57.3 | 172.9 | 0 | 0 | 0 | 107.2 | R97 E99 | I89-R97 PolarHBondContact N-O 3.07Å; I89-R97 PolarHBondContact O-N 3.24Å; I89-E99 HydrophobicContact CD1-CG 3.82Å; I89-E99 VanDerWaalsContact CD1-OE1 3.28Å; I89-E99 WeakPolarHBondContact CD1-OE1 3.46Å |
| 90 | D | 94.3 | Very high | 93.1 | Very high | 77 Ų | 77 | 76.8 Ų | 76.8 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.4 | 171 | -169.8 | -12.5 | 0 | 0 | 0 | 109 | N92 Y96 | D90-N92 VanDerWaalsContact C-N 3.33Å; D90-N92 PolarHBondContact OD1-N 2.88Å; D90-Y96 HydrophobicContact CB-CD1 4.16Å; D90-Y96 HydrophobicContact CB-CE1 3.93Å |
| 91 | Q | 92.1 | Very high | 93 | Very high | 62 Ų | 62 | 77 Ų | 77 | 29% | 0.29 | 40% | 0.401 | S | S | . | . | trans | -88.5 | 1.4 | 177.5 | -67.1 | -167.3 | -7.2 | 0 | 0 | 113.5 | T93 L95 R97 E104 | Q91-T93 HydrophobicContact CB-CG2 4.43Å; Q91-T93 WeakPolarHBondContact CB-OG1 3.45Å; Q91-T93 PolarHBondContact O-N 3.31Å; Q91-L95 PolarHBondContact N-O 2.05Å; Q91-L95 VanDerWaalsContact N-O 3.14Å; Q91-R97 HydrophobicContact CG-CB 4.11Å; Q91-E104 PolarHBondContact NE2-OE1 3.11Å | ||
| 92 | N | 90.6 | Very high | 93.1 | Very high | 152 Ų | 152 | 78.2 Ų | 78.2 | 81% | 0.813 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 61.8 | 9.5 | -173.2 | -58 | 68.1 | 0 | 0 | 0 | 113.9 | D90 | D90-N92 VanDerWaalsContact C-N 3.33Å; D90-N92 PolarHBondContact OD1-N 2.88Å |
| 93 | T | 92.2 | Very high | 93.3 | Very high | 96 Ų | 96 | 79.4 Ų | 79.4 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -97.5 | -1.2 | 175.2 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | Q91 L95 | Q91-T93 HydrophobicContact CB-CG2 4.43Å; Q91-T93 WeakPolarHBondContact CB-OG1 3.45Å; Q91-T93 PolarHBondContact O-N 3.31Å; T93-L95 VanDerWaalsContact C-N 3.3Å; T93-L95 PolarHBondContact OG1-N 3.36Å |
| 94 | G | 90.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 77.8 Ų | 77.8 | 51% | 0.505 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 83.4 | 4.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 95 | L | 94.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 79.6 Ų | 79.6 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | trans | -111.3 | 142.6 | 175 | -60.1 | 176.9 | 0 | 0 | 0 | 111.2 | Q91 T93 P106 | Q91-L95 PolarHBondContact N-O 2.05Å; Q91-L95 VanDerWaalsContact N-O 3.14Å; T93-L95 VanDerWaalsContact C-N 3.3Å; T93-L95 PolarHBondContact OG1-N 3.36Å; L95-P106 HydrophobicContact CD2-CB 4.17Å | ||
| 96 | Y | 95 | Very high | 93.7 | Very high | 48 Ų | 48 | 81.3 Ų | 81.3 | 19% | 0.188 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122 | 178.1 | -64.4 | -80.8 | 0 | 0 | 0 | 110.4 | V88 D90 E104 Y105 F108 | V88-Y96 HydrophobicContact CG2-CD1 3.93Å; V88-Y96 HydrophobicContact CG2-CG 4.25Å; D90-Y96 HydrophobicContact CB-CD1 4.16Å; D90-Y96 HydrophobicContact CB-CE1 3.93Å; Y96-E104 CarbonylContact O-C 3.56Å; Y96-E104 WeakPolarHBondContact O-CA 3.37Å; Y96-Y105 PolarHBondContact N-O 3.35Å; Y96-Y105 PolarHBondContact O-N 3.48Å; Y96-F108 HydrophobicContact CD1-CD1 4.21Å; Y96-F108 AromaticContact CD2-CD1 3.82Å; Y96-F108 HydrophobicContact CD2-CD1 3.82Å; Y96-F108 AromaticContact CE1-CD1 3.85Å; Y96-F108 HydrophobicContact CE1-CD1 3.85Å; Y96-F108 HydrophobicContact CE1-CE1 4.16Å; Y96-F108 AromaticContact CE2-CD1 3.42Å; Y96-F108 HydrophobicContact CE2-CD1 3.42Å; Y96-F108 VanDerWaalsContact CE2-CD1 3.42Å; Y96-F108 AromaticContact CE2-CE1 3.86Å; Y96-F108 HydrophobicContact CE2-CE1 3.86Å; Y96-F108 HydrophobicContact CG-CB 4.44Å; Y96-F108 HydrophobicContact CG-CD1 4.19Å; Y96-F108 AromaticContact CZ-CD1 3.43Å; Y96-F108 VanDerWaalsContact CZ-CD1 3.43Å; Y96-F108 AromaticContact CZ-CE1 3.56Å; Y96-F108 WeakPolarHBondContact OH-CE1 3.45Å |
| 97 | R | 95.2 | Very high | 93.6 | Very high | 111 Ų | 111 | 81.7 Ų | 81.7 | 42% | 0.419 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.7 | 178.9 | -176.8 | 167.8 | 170.2 | 176.9 | 0 | 111.5 | I89 Q91 E104 | I89-R97 PolarHBondContact N-O 3.07Å; I89-R97 PolarHBondContact O-N 3.24Å; Q91-R97 HydrophobicContact CG-CB 4.11Å; R97-E104 HydrophobicContact CB-CG 4.09Å; R97-E104 HydrophobicContact CG-CG 4.21Å |
| 98 | C | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.9 | 169.3 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | C79 V88 K100 C101 N102 K103 Y105 | C79-C98 HydrophobicContact CB-CB 4.15Å; C79-C98 VanDerWaalsContact SG-SG 3.64Å; V88-C98 HydrophobicContact CG1-CB 4.2Å; C98-K100 VanDerWaalsContact C-N 3.34Å; C98-K100 PolarHBondContact O-N 3.06Å; C98-C101 HydrophobicContact CB-CB 4.26Å; C98-N102 VanDerWaalsContact O-CA 3.3Å; C98-N102 WeakPolarHBondContact O-CA 3.26Å; C98-N102 PolarHBondContact O-N 2.95Å; C98-K103 PolarHBondContact N-O 3.2Å; C98-K103 PolarHBondContact O-N 2.81Å; C98-Y105 HydrophobicContact CB-CE2 4.3Å |
| 99 | E | 93.4 | Very high | 93.4 | Very high | 97 Ų | 97 | 80.4 Ų | 80.4 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -26.4 | 178.1 | -68.9 | -172.4 | 159.7 | 0 | 0 | 114.1 | K86 I89 N102 | K86-E99 HydrophobicContact CD-CB 4.18Å; K86-E99 WeakPolarHBondContact CE-OE2 3.26Å; K86-E99 VanDerWaalsContact NZ-CB 3.27Å; K86-E99 IonicContact NZ-OE2 2.68Å; K86-E99 PolarHBondContact NZ-OE2 3.38Å; I89-E99 HydrophobicContact CD1-CG 3.82Å; I89-E99 VanDerWaalsContact CD1-OE1 3.28Å; I89-E99 WeakPolarHBondContact CD1-OE1 3.46Å; E99-N102 PolarHBondContact O-OD1 3.36Å |
| 100 | K | 93.5 | Very high | 93.4 | Very high | 134 Ų | 134 | 79.5 Ų | 79.5 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -40.9 | 178.5 | -175.9 | 179.4 | 175.7 | -166.2 | 0 | 111 | K86 C98 | K86-K100 HydrophobicContact CB-CB 4.1Å; K86-K100 HydrophobicContact CD-CB 3.7Å; K86-K100 HydrophobicContact CG-CB 4.5Å; C98-K100 VanDerWaalsContact C-N 3.34Å; C98-K100 PolarHBondContact O-N 3.06Å |
| 101 | C | 92.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 77.8 Ų | 77.8 | 27% | 0.27 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -13.5 | -178.7 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | C98 K103 | C98-C101 HydrophobicContact CB-CB 4.26Å; C101-K103 HydrophobicContact CB-CB 4.31Å; C101-K103 HydrophobicContact CB-CG 4.5Å; C101-K103 PolarHBondContact O-N 3.08Å |
| 102 | N | 92.9 | Very high | 93.6 | Very high | 119 Ų | 119 | 74.9 Ų | 74.9 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 42.2 | -169.1 | -75.3 | -33.2 | 0 | 0 | 0 | 112.7 | C98 E99 | C98-N102 VanDerWaalsContact O-CA 3.3Å; C98-N102 WeakPolarHBondContact O-CA 3.26Å; C98-N102 PolarHBondContact O-N 2.95Å; E99-N102 PolarHBondContact O-OD1 3.36Å |
| 103 | K | 92.5 | Very high | 93.8 | Very high | 121 Ų | 121 | 69.8 Ų | 69.8 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150.7 | 180 | -72.8 | 178.4 | -176.7 | -175.7 | 0 | 110.2 | C98 C101 Y105 | C98-K103 PolarHBondContact N-O 3.2Å; C98-K103 PolarHBondContact O-N 2.81Å; C101-K103 HydrophobicContact CB-CB 4.31Å; C101-K103 HydrophobicContact CB-CG 4.5Å; C101-K103 PolarHBondContact O-N 3.08Å; K103-Y105 HydrophobicContact CB-CE2 3.8Å |
| 104 | E | 93.9 | Very high | 94 | Very high | 97 Ų | 97 | 65.2 Ų | 65.2 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.9 | 175.9 | -67.5 | 172.1 | -173.9 | 0 | 0 | 109.1 | Q91 Y96 R97 | Q91-E104 PolarHBondContact NE2-OE1 3.11Å; Y96-E104 CarbonylContact O-C 3.56Å; Y96-E104 WeakPolarHBondContact O-CA 3.37Å; R97-E104 HydrophobicContact CB-CG 4.09Å; R97-E104 HydrophobicContact CG-CG 4.21Å |
| 105 | Y | 94.1 | Very high | 94.2 | Very high | 40 Ų | 40 | 64.2 Ų | 64.2 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.1 | -178.3 | -60.9 | -81.2 | 0 | 0 | 0 | 109.6 | P80 Y96 C98 K103 N107 | P80-Y105 HydrophobicContact CG-CD1 3.65Å; P80-Y105 HydrophobicContact CG-CD2 3.83Å; P80-Y105 HydrophobicContact CG-CE1 4.11Å; P80-Y105 HydrophobicContact CG-CE2 4.26Å; P80-Y105 HydrophobicContact CG-CG 3.49Å; P80-Y105 VanDerWaalsContact CG-CG 3.49Å; Y96-Y105 PolarHBondContact N-O 3.35Å; Y96-Y105 PolarHBondContact O-N 3.48Å; C98-Y105 HydrophobicContact CB-CE2 4.3Å; K103-Y105 HydrophobicContact CB-CE2 3.8Å; Y105-N107 WeakPolarHBondContact CB-O 3.49Å; Y105-N107 PolarHBondContact O-N 3.41Å |
| 106 | P | 94.3 | Very high | 94.3 | Very high | 99 Ų | 99 | 61.4 Ų | 61.4 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -73.6 | -13.3 | 173.1 | 31.6 | -35.3 | 0 | 0 | 0 | 112.7 | L95 | L95-P106 HydrophobicContact CD2-CB 4.17Š|
| 107 | N | 92.7 | Very high | 94.4 | Very high | 91 Ų | 91 | 65.7 Ų | 65.7 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | trans | -129.7 | 166.5 | -178.5 | 64.3 | -15.7 | 0 | 0 | 0 | 111.8 | Y105 | Y105-N107 WeakPolarHBondContact CB-O 3.49Å; Y105-N107 PolarHBondContact O-N 3.41Å | ||
| 108 | F | 93.4 | Very high | 94.4 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | trans | -137.2 | 166.9 | 173.2 | 63.4 | -90.9 | 0 | 0 | 0 | 110 | P77 V88 Y96 W110 | P77-F108 HydrophobicContact CB-CB 4.31Å; P77-F108 HydrophobicContact CB-CD2 3.51Å; P77-F108 HydrophobicContact CB-CE2 3.93Å; P77-F108 HydrophobicContact CB-CG 3.9Å; V88-F108 HydrophobicContact CG2-CB 3.98Å; Y96-F108 HydrophobicContact CD1-CD1 4.21Å; Y96-F108 AromaticContact CD2-CD1 3.82Å; Y96-F108 HydrophobicContact CD2-CD1 3.82Å; Y96-F108 AromaticContact CE1-CD1 3.85Å; Y96-F108 HydrophobicContact CE1-CD1 3.85Å; Y96-F108 HydrophobicContact CE1-CE1 4.16Å; Y96-F108 AromaticContact CE2-CD1 3.42Å; Y96-F108 HydrophobicContact CE2-CD1 3.42Å; Y96-F108 VanDerWaalsContact CE2-CD1 3.42Å; Y96-F108 AromaticContact CE2-CE1 3.86Å; Y96-F108 HydrophobicContact CE2-CE1 3.86Å; Y96-F108 HydrophobicContact CG-CB 4.44Å; Y96-F108 HydrophobicContact CG-CD1 4.19Å; Y96-F108 AromaticContact CZ-CD1 3.43Å; Y96-F108 VanDerWaalsContact CZ-CD1 3.43Å; Y96-F108 AromaticContact CZ-CE1 3.56Å; Y96-F108 WeakPolarHBondContact OH-CE1 3.45Å; F108-W110 AromaticContact CE2-CD2 3.92Å; F108-W110 HydrophobicContact CE2-CD2 3.92Å; F108-W110 AromaticContact CE2-CE2 3.53Å; F108-W110 HydrophobicContact CE2-CE3 4.44Å; F108-W110 HydrophobicContact CE2-CG 4.38Å; F108-W110 HydrophobicContact CE2-CH2 4.25Å; F108-W110 AromaticContact CE2-CZ2 3.71Å; F108-W110 HydrophobicContact CE2-CZ2 3.71Å; F108-W110 AromaticContact CE2-NE1 3.76Å; F108-W110 HydrophobicContact CZ-CZ2 4.01Å | ||
| 109 | T | 93.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 62 Ų | 62 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.3 | 175.3 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | A78 | A78-T109 WeakPolarHBondContact CA-O 3.48Å; A78-T109 WeakPolarHBondContact CB-O 3.36Å; A78-T109 PolarHBondContact N-O 2.88Å; A78-T109 PolarHBondContact O-N 3.14Å; A78-T109 VanDerWaalsContact O-N 3.08Å |
| 110 | W | 94.8 | Very high | 94 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 136.6 | 173.5 | -71.9 | 114.5 | 0 | 0 | 0 | 110.4 | M75 F108 V142 S146 | M75-W110 HydrophobicContact CB-CE3 4Å; M75-W110 HydrophobicContact CB-CZ3 4.34Å; F108-W110 AromaticContact CE2-CD2 3.92Å; F108-W110 HydrophobicContact CE2-CD2 3.92Å; F108-W110 AromaticContact CE2-CE2 3.53Å; F108-W110 HydrophobicContact CE2-CE3 4.44Å; F108-W110 HydrophobicContact CE2-CG 4.38Å; F108-W110 HydrophobicContact CE2-CH2 4.25Å; F108-W110 AromaticContact CE2-CZ2 3.71Å; F108-W110 HydrophobicContact CE2-CZ2 3.71Å; F108-W110 AromaticContact CE2-NE1 3.76Å; F108-W110 HydrophobicContact CZ-CZ2 4.01Å; W110-V142 HydrophobicContact CB-CG1 3.7Å; W110-V142 WeakPolarHBondContact O-CG1 3.26Å; W110-S146 VanDerWaalsContact CD1-CB 3.44Å |
| 111 | R | 95 | Very high | 93.5 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.6 | 169.7 | -66.3 | -169.7 | -171.5 | -148.4 | 2.7 | 110.4 | M75 Y76 A78 P82 C84 S85 | M75-R111 WeakPolarHBondContact CA-O 3.25Å; Y76-R111 WeakPolarHBondContact CD1-O 3.21Å; Y76-R111 HydrophobicContact CE1-CB 3.92Å; Y76-R111 HydrophobicContact CE2-CB 4.39Å; Y76-R111 PolarHBondContact N-O 2.82Å; Y76-R111 PolarHBondContact O-N 3.41Å; Y76-R111 VanDerWaalsContact O-N 3.09Å; A78-R111 HydrophobicContact CB-CB 4.17Å; A78-R111 HydrophobicContact CB-CG 3.66Å; P82-R111 PolarHBondContact O-NH2 3.18Å; C84-R111 PolarHBondContact O-NH2 3.32Å; S85-R111 VanDerWaalsContact CB-NH1 3.25Å |
| 112 | L | 95.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 140.3 | 179.4 | -66.6 | 168.1 | 0 | 0 | 0 | 111.9 | C74 M75 A134 E135 V142 L145 | C74-L112 WeakPolarHBondContact O-CA 2.99Å; M75-L112 HydrophobicContact CG-CD2 3.4Å; M75-L112 VanDerWaalsContact CG-CD2 3.4Å; M75-L112 HydrophobicContact CG-CG 4.48Å; M75-L112 HydrophobicContact SD-CD2 4.09Å; L112-A134 HydrophobicContact CB-CB 3.82Å; L112-A134 HydrophobicContact CD1-CB 3.78Å; L112-A134 HydrophobicContact CG-CB 4.4Å; L112-E135 HydrophobicContact CD1-CG 3.81Å; L112-V142 HydrophobicContact CB-CG2 4.45Å; L112-V142 HydrophobicContact CD1-CB 4.49Å; L112-V142 HydrophobicContact CD1-CG2 3.63Å; L112-V142 HydrophobicContact CD2-CG1 4.39Å; L112-V142 HydrophobicContact CG-CB 4.31Å; L112-V142 HydrophobicContact CG-CG1 4.01Å; L112-V142 HydrophobicContact CG-CG2 3.6Å; L112-L145 HydrophobicContact CD2-CD2 3.51Å |
| 113 | L | 95.7 | Very high | 92.9 | Very high | 44 Ų | 44 | 53.4 Ų | 53.4 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 88.6 | 168 | -175.5 | 68 | 0 | 0 | 0 | 108 | T73 C74 Y76 T128 F130 | T73-L113 VanDerWaalsContact O-O 3.05Å; C74-L113 CarbonylContact O-C 3.54Å; C74-L113 PolarHBondContact O-N 2.82Å; Y76-L113 HydrophobicContact CD1-CB 3.89Å; Y76-L113 HydrophobicContact CE1-CB 3.92Å; L113-T128 HydrophobicContact CD1-CG2 3.49Å; L113-T128 VanDerWaalsContact CD1-CG2 3.49Å; L113-T128 HydrophobicContact CG-CG2 4.31Å; L113-F130 HydrophobicContact CD1-CD1 3.93Å; L113-F130 HydrophobicContact CD1-CE1 3.82Å |
| 114 | L | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 135 | -178.8 | -58.6 | -178.8 | 0 | 0 | 0 | 110.5 | V69 C74 V116 T128 M129 A134 L138 F160 | V69-L114 HydrophobicContact CG1-CD2 4.36Å; C74-L114 HydrophobicContact CB-CD2 3.46Å; C74-L114 VanDerWaalsContact CB-CD2 3.46Å; L114-V116 HydrophobicContact CB-CG2 4.06Å; L114-T128 CarbonylContact O-C 3.57Å; L114-T128 WeakPolarHBondContact O-CA 3.29Å; L114-M129 HydrophobicContact CB-CB 4.08Å; L114-M129 HydrophobicContact CB-CG 4.16Å; L114-M129 PolarHBondContact N-O 3.45Å; L114-M129 PolarHBondContact O-N 3.38Å; L114-A134 HydrophobicContact CD1-CB 3.5Å; L114-A134 VanDerWaalsContact CD1-CB 3.5Å; L114-A134 HydrophobicContact CG-CB 3.72Å; L114-L138 HydrophobicContact CD1-CD1 3.98Å; L114-L138 HydrophobicContact CD1-CG 4.19Å; L114-F160 HydrophobicContact CD2-CE1 4.07Å |
| 115 | N | 95.5 | Very high | 92.8 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 111 | 166.3 | -72.6 | -45.5 | 0 | 0 | 0 | 108.1 | N70 T128 | N70-N115 HydrophobicContact CB-CB 4.19Å; N70-N115 WeakPolarHBondContact CB-O 3.39Å; N70-N115 PolarHBondContact N-O 2.96Å; N115-T128 PolarHBondContact OD1-OG1 2.83Å |
| 116 | V | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.3 | -172.6 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | I66 V69 L114 I118 Q126 V127 M129 L137 | I66-V116 HydrophobicContact CB-CG1 4.37Å; I66-V116 HydrophobicContact CD1-CG1 4.24Å; I66-V116 HydrophobicContact CG1-CG1 3.97Å; I66-V116 HydrophobicContact CG2-CG1 3.67Å; V69-V116 HydrophobicContact CG1-CG2 4.18Å; V69-V116 HydrophobicContact CG2-CG1 4.14Å; V69-V116 HydrophobicContact CG2-CG2 4.19Å; L114-V116 HydrophobicContact CB-CG2 4.06Å; V116-I118 HydrophobicContact CB-CG1 4.49Å; V116-I118 HydrophobicContact CG1-CG1 3.9Å; V116-Q126 CarbonylContact O-C 3.6Å; V116-Q126 WeakPolarHBondContact O-CA 3.44Å; V116-V127 PolarHBondContact N-O 2.74Å; V116-V127 PolarHBondContact O-N 2.98Å; V116-M129 HydrophobicContact CG2-CG 3.76Å; V116-L137 HydrophobicContact CG2-CD2 4.23Å |
| 117 | R | 95.7 | Very high | 92.9 | Very high | 138 Ų | 138 | 45.9 Ų | 45.9 | 52% | 0.521 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.9 | 169.5 | -61.4 | -170 | 91.5 | 177.5 | 6.1 | 108.7 | L67 N68 | L67-R117 HydrophobicContact CB-CB 4.45Å; L67-R117 PolarHBondContact N-O 3.19Å; N68-R117 PolarHBondContact O-N 3.1Å |
| 118 | I | 94.7 | Very high | 93 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.3 | -178.1 | -50.3 | 174.5 | 0 | 0 | 0 | 107.8 | T65 V116 V124 T125 V127 F170 | T65-I118 CarbonylContact O-C 3.56Å; T65-I118 WeakPolarHBondContact O-CA 3.26Å; V116-I118 HydrophobicContact CB-CG1 4.49Å; V116-I118 HydrophobicContact CG1-CG1 3.9Å; I118-V124 WeakPolarHBondContact O-CA 3.34Å; I118-T125 PolarHBondContact N-O 3.12Å; I118-T125 PolarHBondContact O-N 2.91Å; I118-V127 HydrophobicContact CD1-CB 3.81Å; I118-V127 HydrophobicContact CD1-CG1 4.32Å; I118-V127 HydrophobicContact CD1-CG2 3.62Å; I118-V127 HydrophobicContact CG1-CB 4.49Å; I118-V127 HydrophobicContact CG1-CG2 4.26Å; I118-F170 HydrophobicContact CD1-CD1 3.77Å; I118-F170 HydrophobicContact CD1-CD2 3.86Å; I118-F170 HydrophobicContact CD1-CE1 3.65Å; I118-F170 HydrophobicContact CD1-CE2 3.74Å; I118-F170 HydrophobicContact CD1-CG 3.86Å; I118-F170 HydrophobicContact CD1-CZ 3.62Å; I118-F170 HydrophobicContact CG1-CE2 4.29Å; I118-F170 HydrophobicContact CG1-CZ 4.19Å; I118-F170 HydrophobicContact CG2-CD2 4.01Å; I118-F170 HydrophobicContact CG2-CE2 3.65Å; I118-F170 HydrophobicContact CG2-CZ 4.34Å |
| 119 | C | 93 | Very high | 93.1 | Very high | 31 Ų | 31 | 39 Ų | 39 | 21% | 0.209 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144.7 | -179.8 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | G64 T65 L67 V124 | G64-C119 CarbonylContact C-O 3.51Å; G64-C119 VanDerWaalsContact CA-O 3.26Å; G64-C119 WeakPolarHBondContact CA-O 3.06Å; T65-C119 PolarHBondContact N-O 3.34Å; T65-C119 PolarHBondContact O-N 3.13Å; L67-C119 HydrophobicContact CD1-CB 3.54Å; L67-C119 HydrophobicContact CD2-CB 3.83Å; L67-C119 HydrophobicContact CG-CB 3.52Å; C119-V124 HydrophobicContact CB-CG2 3.92Å |
| 120 | D | 88.9 | Confident | 93.2 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 10% | 0.096 | 20% | 0.202 | C | C | . | . | trans | -128.4 | -173.8 | 159.6 | 74.6 | -0.5 | 0 | 0 | 0 | 109.8 | A42 L43 S122 S123 | A42-D120 VanDerWaalsContact CA-OD2 3.26Å; A42-D120 WeakPolarHBondContact CA-OD2 3.29Å; L43-D120 HydrophobicContact CD1-CB 4.09Å; L43-D120 HydrophobicContact CG-CB 4.48Å; L43-D120 PolarHBondContact N-OD2 3.04Å; D120-S122 VanDerWaalsContact CG-OG 3.25Å; D120-S122 PolarHBondContact O-N 2.95Å; D120-S122 WeakPolarHBondContact OD1-CA 3.38Å; D120-S122 WeakPolarHBondContact OD1-CB 3.48Å; D120-S122 PolarHBondContact OD1-N 3.3Å; D120-S122 PolarHBondContact OD1-OG 3.37Å; D120-S122 PolarHBondContact OD2-OG 2.81Å; D120-S123 PolarHBondContact N-O 2.73Å; D120-S123 PolarHBondContact OD1-N 3.05Å | ||
| 121 | F | 83.1 | Confident | 93.2 | Very high | 106 Ų | 106 | 40.9 Ų | 40.9 | 47% | 0.465 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -61.5 | -15.2 | 178.8 | 63.9 | -92.6 | 0 | 0 | 0 | 114.1 | A42 H240 | A42-F121 HydrophobicContact CB-CE1 4.07Å; A42-F121 HydrophobicContact CB-CE2 4.11Å; A42-F121 HydrophobicContact CB-CZ 3.52Å; F121-H240 VanDerWaalsContact CB-CE1 3.49Å; F121-H240 WeakPolarHBondContact CB-CE1 3.45Å |
| 122 | S | 86.2 | Confident | 93.1 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -104.6 | -42.3 | -172.1 | 69.2 | 0 | 0 | 0 | 0 | 113.1 | L43 G44 D120 | L43-S122 PolarHBondContact N-OG 3.44Å; G44-S122 PolarHBondContact N-OG 3.02Å; D120-S122 VanDerWaalsContact CG-OG 3.25Å; D120-S122 PolarHBondContact O-N 2.95Å; D120-S122 WeakPolarHBondContact OD1-CA 3.38Å; D120-S122 WeakPolarHBondContact OD1-CB 3.48Å; D120-S122 PolarHBondContact OD1-N 3.3Å; D120-S122 PolarHBondContact OD1-OG 3.37Å; D120-S122 PolarHBondContact OD2-OG 2.81Å |
| 123 | S | 87.3 | Confident | 93.1 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | trans | -160.2 | 170 | -179 | 72.4 | 0 | 0 | 0 | 0 | 113.4 | L43 G44 D120 | L43-S123 WeakPolarHBondContact CB-OG 3.31Å; G44-S123 WeakPolarHBondContact CA-OG 3.39Å; G44-S123 PolarHBondContact N-OG 3.47Å; G44-S123 VanDerWaalsContact N-OG 3.12Å; D120-S123 PolarHBondContact N-O 2.73Å; D120-S123 PolarHBondContact OD1-N 3.05Å | ||
| 124 | V | 91.9 | Very high | 93.1 | Very high | 69 Ų | 69 | 42.8 Ų | 42.8 | 42% | 0.418 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.8 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | L67 I118 C119 | L67-V124 HydrophobicContact CD1-CG1 3.76Å; L67-V124 HydrophobicContact CD1-CG2 3.96Å; I118-V124 WeakPolarHBondContact O-CA 3.34Å; C119-V124 HydrophobicContact CB-CG2 3.92Å |
| 125 | T | 92 | Very high | 93.1 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.7 | -176.8 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | I118 F187 | I118-T125 PolarHBondContact N-O 3.12Å; I118-T125 PolarHBondContact O-N 2.91Å; T125-F187 HydrophobicContact CG2-CB 4.34Å; T125-F187 HydrophobicContact CG2-CD1 4.1Å; T125-F187 HydrophobicContact CG2-CD2 3.27Å; T125-F187 HydrophobicContact CG2-CE1 4.24Å; T125-F187 HydrophobicContact CG2-CE2 3.44Å; T125-F187 VanDerWaalsContact CG2-CE2 3.44Å; T125-F187 HydrophobicContact CG2-CG 3.65Å; T125-F187 HydrophobicContact CG2-CZ 3.94Å |
| 126 | Q | 94 | Very high | 93 | Very high | 106 Ų | 106 | 50.4 Ų | 50.4 | 50% | 0.495 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.4 | 173.5 | -174 | 172.3 | -35.5 | 0 | 0 | 110.7 | V116 | V116-Q126 CarbonylContact O-C 3.6Å; V116-Q126 WeakPolarHBondContact O-CA 3.44Å |
| 127 | V | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.6 | -177 | 179.4 | 0 | 0 | 0 | 0 | 110 | V116 I118 M129 L172 F187 C189 | V116-V127 PolarHBondContact N-O 2.74Å; V116-V127 PolarHBondContact O-N 2.98Å; I118-V127 HydrophobicContact CD1-CB 3.81Å; I118-V127 HydrophobicContact CD1-CG1 4.32Å; I118-V127 HydrophobicContact CD1-CG2 3.62Å; I118-V127 HydrophobicContact CG1-CB 4.49Å; I118-V127 HydrophobicContact CG1-CG2 4.26Å; V127-M129 HydrophobicContact CG1-SD 3.88Å; V127-L172 HydrophobicContact CB-CD2 4.42Å; V127-L172 HydrophobicContact CG1-CD2 3.54Å; V127-L172 HydrophobicContact CG2-CD1 4.2Å; V127-L172 HydrophobicContact CG2-CD2 3.98Å; V127-F187 WeakPolarHBondContact CA-O 3.25Å; V127-F187 HydrophobicContact CB-CB 4.48Å; V127-F187 HydrophobicContact CG2-CB 3.89Å; V127-C189 HydrophobicContact CG1-CB 3.77Å |
| 128 | T | 95.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.3 | 172.6 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | L113 L114 N115 F187 I188 C189 | L113-T128 HydrophobicContact CD1-CG2 3.49Å; L113-T128 VanDerWaalsContact CD1-CG2 3.49Å; L113-T128 HydrophobicContact CG-CG2 4.31Å; L114-T128 CarbonylContact O-C 3.57Å; L114-T128 WeakPolarHBondContact O-CA 3.29Å; N115-T128 PolarHBondContact OD1-OG1 2.83Å; T128-F187 PolarHBondContact N-O 3.48Å; T128-I188 WeakPolarHBondContact O-CA 3.47Å; T128-C189 PolarHBondContact O-N 3.34Å |
| 129 | M | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 136.5 | 176.3 | -37.1 | -73.8 | -71.2 | 0 | 0 | 109.2 | L114 V116 V127 A134 L137 F170 C189 V192 | L114-M129 HydrophobicContact CB-CB 4.08Å; L114-M129 HydrophobicContact CB-CG 4.16Å; L114-M129 PolarHBondContact N-O 3.45Å; L114-M129 PolarHBondContact O-N 3.38Å; V116-M129 HydrophobicContact CG2-CG 3.76Å; V127-M129 HydrophobicContact CG1-SD 3.88Å; M129-A134 HydrophobicContact CB-CB 4.37Å; M129-L137 HydrophobicContact CE-CD2 4.36Å; M129-F170 HydrophobicContact CE-CD1 4.41Å; M129-F170 HydrophobicContact CE-CE1 4.32Å; M129-C189 HydrophobicContact CE-CB 3.54Å; M129-C189 WeakPolarHBondContact CE-SG 3.15Å; M129-C189 HydrophobicContact SD-CB 3.07Å; M129-C189 WeakPolarHBondContact SD-CB 3.34Å; M129-V192 HydrophobicContact CE-CG2 3.11Å |
| 130 | F | 95.1 | Very high | 92.8 | Very high | 99 Ų | 99 | 51.5 Ų | 51.5 | 43% | 0.434 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 175.6 | 173.9 | -68.5 | -71.6 | 0 | 0 | 0 | 110.7 | L113 D132 T133 A134 I188 | L113-F130 HydrophobicContact CD1-CD1 3.93Å; L113-F130 HydrophobicContact CD1-CE1 3.82Å; F130-D132 PolarHBondContact O-N 3.18Å; F130-T133 PolarHBondContact N-OG1 3.24Å; F130-T133 PolarHBondContact O-N 2.85Å; F130-T133 VanDerWaalsContact O-N 3.07Å; F130-T133 PolarHBondContact O-OG1 2.92Å; F130-T133 VanDerWaalsContact O-OG1 3.1Å; F130-A134 VanDerWaalsContact O-CB 3.23Å; F130-A134 WeakPolarHBondContact O-CB 3.26Å; F130-A134 PolarHBondContact O-N 3.12Å; F130-I188 HydrophobicContact CD2-CG2 4.01Å; F130-I188 HydrophobicContact CE2-CG2 3.55Å |
| 131 | Q | 94 | Very high | 93 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -41.3 | -59.4 | -176 | -174 | 164.5 | -2.2 | 0 | 0 | 114.3 | T133 A134 E135 V142 | Q131-T133 VanDerWaalsContact C-N 3.29Å; Q131-T133 PolarHBondContact O-N 2.92Å; Q131-A134 PolarHBondContact O-N 2.63Å; Q131-E135 HydrophobicContact CG-CG 4.44Å; Q131-E135 WeakPolarHBondContact O-CG 3.35Å; Q131-E135 PolarHBondContact O-N 2.77Å; Q131-V142 HydrophobicContact CG-CG2 3.9Å |
| 132 | D | 94 | Very high | 93.5 | Very high | 118 Ų | 118 | 51.9 Ų | 51.9 | 63% | 0.631 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.6 | -34.1 | -175.6 | -55.2 | -13.1 | 0 | 0 | 0 | 113.8 | F130 K136 | F130-D132 PolarHBondContact O-N 3.18Å; D132-K136 WeakPolarHBondContact O-CD 3.49Å; D132-K136 WeakPolarHBondContact O-CG 3.44Å |
| 133 | T | 95.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -85.2 | -29.8 | 179.2 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | F130 Q131 L137 V190 V192 | F130-T133 PolarHBondContact N-OG1 3.24Å; F130-T133 PolarHBondContact O-N 2.85Å; F130-T133 VanDerWaalsContact O-N 3.07Å; F130-T133 PolarHBondContact O-OG1 2.92Å; F130-T133 VanDerWaalsContact O-OG1 3.1Å; Q131-T133 VanDerWaalsContact C-N 3.29Å; Q131-T133 PolarHBondContact O-N 2.92Å; T133-L137 WeakPolarHBondContact O-CB 3.42Å; T133-L137 PolarHBondContact O-N 2.59Å; T133-L137 VanDerWaalsContact O-N 3.13Å; T133-V190 WeakPolarHBondContact CG2-O 3.42Å; T133-V192 HydrophobicContact CG2-CG2 4.47Å |
| 134 | A | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.3 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L112 L114 M129 F130 Q131 K136 L137 L138 | L112-A134 HydrophobicContact CB-CB 3.82Å; L112-A134 HydrophobicContact CD1-CB 3.78Å; L112-A134 HydrophobicContact CG-CB 4.4Å; L114-A134 HydrophobicContact CD1-CB 3.5Å; L114-A134 VanDerWaalsContact CD1-CB 3.5Å; L114-A134 HydrophobicContact CG-CB 3.72Å; M129-A134 HydrophobicContact CB-CB 4.37Å; F130-A134 VanDerWaalsContact O-CB 3.23Å; F130-A134 WeakPolarHBondContact O-CB 3.26Å; F130-A134 PolarHBondContact O-N 3.12Å; Q131-A134 PolarHBondContact O-N 2.63Å; A134-K136 VanDerWaalsContact C-N 3.31Å; A134-K136 PolarHBondContact O-N 3.19Å; A134-L137 PolarHBondContact O-N 3.39Å; A134-L138 PolarHBondContact O-N 3.14Å |
| 135 | E | 94.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 176.3 | -70.1 | -172.4 | 154.3 | 0 | 0 | 111.4 | L112 Q131 L137 N139 V140 V142 | L112-E135 HydrophobicContact CD1-CG 3.81Å; Q131-E135 HydrophobicContact CG-CG 4.44Å; Q131-E135 WeakPolarHBondContact O-CG 3.35Å; Q131-E135 PolarHBondContact O-N 2.77Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.04Å; E135-N139 WeakPolarHBondContact O-CA 3.42Å; E135-N139 PolarHBondContact O-N 3.37Å; E135-V140 PolarHBondContact O-N 2.84Å; E135-V142 HydrophobicContact CG-CG2 4.1Å; E135-V142 WeakPolarHBondContact OE1-CG2 3.47Å; E135-V142 PolarHBondContact OE1-N 2.79Å |
| 136 | K | 94.5 | Very high | 94.2 | Very high | 139 Ų | 139 | 54.1 Ų | 54.1 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 174.5 | -75.5 | 176.2 | -174.7 | 178.9 | 0 | 112.7 | D132 A134 | D132-K136 WeakPolarHBondContact O-CD 3.49Å; D132-K136 WeakPolarHBondContact O-CG 3.44Å; A134-K136 VanDerWaalsContact C-N 3.31Å; A134-K136 PolarHBondContact O-N 3.19Å |
| 137 | L | 94.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.1 | -43.8 | -178.6 | -179.6 | 68.4 | 0 | 0 | 0 | 112 | I66 V116 M129 T133 A134 E135 V163 F168 V192 | I66-L137 HydrophobicContact CD1-CD1 3.52Å; I66-L137 HydrophobicContact CD1-CD2 3.95Å; I66-L137 HydrophobicContact CD1-CG 4.24Å; V116-L137 HydrophobicContact CG2-CD2 4.23Å; M129-L137 HydrophobicContact CE-CD2 4.36Å; T133-L137 WeakPolarHBondContact O-CB 3.42Å; T133-L137 PolarHBondContact O-N 2.59Å; T133-L137 VanDerWaalsContact O-N 3.13Å; A134-L137 PolarHBondContact O-N 3.39Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.04Å; L137-V163 HydrophobicContact CD1-CG1 3.76Å; L137-V163 HydrophobicContact CD2-CG1 4.27Å; L137-V163 HydrophobicContact CG-CG1 3.78Å; L137-V163 WeakPolarHBondContact O-CG2 3.43Å; L137-F168 HydrophobicContact CD1-CD1 4.37Å; L137-F168 HydrophobicContact CD1-CD2 3.93Å; L137-F168 HydrophobicContact CD1-CE1 4.12Å; L137-F168 HydrophobicContact CD1-CE2 3.66Å; L137-F168 HydrophobicContact CD1-CG 4.27Å; L137-F168 HydrophobicContact CD1-CZ 3.77Å; L137-V192 HydrophobicContact CD1-CG1 4.12Å |
| 138 | L | 93.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.2 | -18 | 178.9 | -63.6 | 177 | 0 | 0 | 0 | 112.9 | L114 A134 V140 L145 F160 V163 | L114-L138 HydrophobicContact CD1-CD1 3.98Å; L114-L138 HydrophobicContact CD1-CG 4.19Å; A134-L138 PolarHBondContact O-N 3.14Å; L138-V140 PolarHBondContact O-N 3.39Å; L138-L145 HydrophobicContact CD1-CD2 4.02Å; L138-F160 HydrophobicContact CD1-CE1 3.93Å; L138-F160 HydrophobicContact CD1-CZ 4.17Å; L138-F160 HydrophobicContact CD2-CD1 3.88Å; L138-F160 HydrophobicContact CD2-CE1 3.92Å; L138-V163 HydrophobicContact CD2-CG2 4.1Å |
| 139 | N | 93.1 | Very high | 93.9 | Very high | 149 Ų | 149 | 58.3 Ų | 58.3 | 80% | 0.797 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 31.4 | -171.7 | -162.6 | 38.9 | 0 | 0 | 0 | 113.6 | E135 | E135-N139 WeakPolarHBondContact O-CA 3.42Å; E135-N139 PolarHBondContact O-N 3.37Å |
| 140 | V | 93.3 | Very high | 93.6 | Very high | 26 Ų | 26 | 65.7 Ų | 65.7 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -138.6 | 140.3 | -179.4 | 179.7 | 0 | 0 | 0 | 0 | 109 | E135 L138 E144 L145 L159 | E135-V140 PolarHBondContact O-N 2.84Å; L138-V140 PolarHBondContact O-N 3.39Å; V140-E144 HydrophobicContact CG1-CB 3.8Å; V140-L145 HydrophobicContact CG1-CB 4.26Å; V140-L159 HydrophobicContact CG2-CD2 4.17Å |
| 141 | K | 94.3 | Very high | 93.6 | Very high | 128 Ų | 128 | 68.8 Ų | 68.8 | 56% | 0.557 | 34% | 0.338 | S | S | * | . | trans | -76 | 154.3 | 177.2 | -69.4 | -178.7 | 178.8 | 174.6 | 0 | 111.9 | D143 E144 L145 | K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 2.84Å; K141-E144 PolarHBondContact O-N 3.16Å; K141-L145 PolarHBondContact O-N 2.71Å | ||
| 142 | V | 93.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.7 | -40.7 | -179.5 | -166.1 | 0 | 0 | 0 | 0 | 112.9 | M75 W110 L112 Q131 E135 E144 L145 S146 | M75-V142 HydrophobicContact SD-CG1 4.37Å; W110-V142 HydrophobicContact CB-CG1 3.7Å; W110-V142 WeakPolarHBondContact O-CG1 3.26Å; L112-V142 HydrophobicContact CB-CG2 4.45Å; L112-V142 HydrophobicContact CD1-CB 4.49Å; L112-V142 HydrophobicContact CD1-CG2 3.63Å; L112-V142 HydrophobicContact CD2-CG1 4.39Å; L112-V142 HydrophobicContact CG-CB 4.31Å; L112-V142 HydrophobicContact CG-CG1 4.01Å; L112-V142 HydrophobicContact CG-CG2 3.6Å; Q131-V142 HydrophobicContact CG-CG2 3.9Å; E135-V142 HydrophobicContact CG-CG2 4.1Å; E135-V142 WeakPolarHBondContact OE1-CG2 3.47Å; E135-V142 PolarHBondContact OE1-N 2.79Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 2.6Å; V142-L145 PolarHBondContact O-N 2.98Å; V142-S146 PolarHBondContact O-N 2.74Å; V142-S146 PolarHBondContact O-OG 3.47Å |
| 143 | D | 92.1 | Very high | 93.4 | Very high | 106 Ų | 106 | 71 Ų | 71 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | -177.5 | -60.4 | -38 | 0 | 0 | 0 | 112.3 | K141 S146 S147 | K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 2.84Å; D143-S146 PolarHBondContact O-OG 3.04Å; D143-S147 PolarHBondContact O-N 2.86Å; D143-S147 PolarHBondContact O-OG 3.12Å |
| 144 | E | 93.5 | Very high | 93.3 | Very high | 107 Ų | 107 | 75.9 Ų | 75.9 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 175 | -68.4 | 170 | -168.2 | 0 | 0 | 109.9 | V140 K141 V142 S146 S147 V148 | V140-E144 HydrophobicContact CG1-CB 3.8Å; K141-E144 PolarHBondContact O-N 3.16Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 2.6Å; E144-S146 VanDerWaalsContact C-N 3.33Å; E144-S146 PolarHBondContact O-N 3.37Å; E144-S147 WeakPolarHBondContact O-CB 3.5Å; E144-S147 PolarHBondContact O-N 2.83Å; E144-S147 VanDerWaalsContact O-N 3.1Å; E144-V148 WeakPolarHBondContact O-CG2 3.42Å; E144-V148 PolarHBondContact O-N 3.14Å |
| 145 | L | 93.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 179.5 | -166.2 | 73.5 | 0 | 0 | 0 | 112.3 | M75 L112 L138 V140 K141 V142 S147 R149 F156 L159 F160 | M75-L145 HydrophobicContact CE-CD2 4.26Å; M75-L145 HydrophobicContact CE-CG 4.38Å; M75-L145 HydrophobicContact SD-CD2 3.99Å; M75-L145 HydrophobicContact SD-CG 4.36Å; L112-L145 HydrophobicContact CD2-CD2 3.51Å; L138-L145 HydrophobicContact CD1-CD2 4.02Å; V140-L145 HydrophobicContact CG1-CB 4.26Å; K141-L145 PolarHBondContact O-N 2.71Å; V142-L145 PolarHBondContact O-N 2.98Å; L145-S147 VanDerWaalsContact C-N 3.35Å; L145-R149 WeakPolarHBondContact O-CB 3.25Å; L145-R149 PolarHBondContact O-N 3.49Å; L145-F156 HydrophobicContact CD1-CD2 4.05Å; L145-F156 HydrophobicContact CD1-CE2 4.05Å; L145-F156 HydrophobicContact CD2-CE2 4.28Å; L145-F156 HydrophobicContact CG-CD2 4.28Å; L145-F156 HydrophobicContact CG-CE2 3.93Å; L145-L159 HydrophobicContact CD1-CD1 3.87Å; L145-F160 HydrophobicContact CD2-CZ 4.45Å |
| 146 | S | 92.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 75.5 Ų | 75.5 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 174.7 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | W110 V142 D143 E144 R149 E150 | W110-S146 VanDerWaalsContact CD1-CB 3.44Å; V142-S146 PolarHBondContact O-N 2.74Å; V142-S146 PolarHBondContact O-OG 3.47Å; D143-S146 PolarHBondContact O-OG 3.04Å; E144-S146 VanDerWaalsContact C-N 3.33Å; E144-S146 PolarHBondContact O-N 3.37Å; S146-R149 PolarHBondContact O-N 3.06Å; S146-E150 PolarHBondContact O-N 3Å |
| 147 | S | 93.5 | Very high | 93.1 | Very high | 54 Ų | 54 | 70.7 Ų | 70.7 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | D143 E144 L145 E150 Q151 | D143-S147 PolarHBondContact O-N 2.86Å; D143-S147 PolarHBondContact O-OG 3.12Å; E144-S147 WeakPolarHBondContact O-CB 3.5Å; E144-S147 PolarHBondContact O-N 2.83Å; E144-S147 VanDerWaalsContact O-N 3.1Å; L145-S147 VanDerWaalsContact C-N 3.35Å; S147-E150 PolarHBondContact O-N 2.83Å; S147-Q151 VanDerWaalsContact O-CG 3.29Å; S147-Q151 WeakPolarHBondContact O-CG 3.47Å; S147-Q151 PolarHBondContact O-N 3.28Å; S147-Q151 VanDerWaalsContact O-N 3.15Å |
| 148 | V | 93.2 | Very high | 93 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | E144 E150 Q151 D152 A155 F156 L159 | E144-V148 WeakPolarHBondContact O-CG2 3.42Å; E144-V148 PolarHBondContact O-N 3.14Å; V148-E150 VanDerWaalsContact C-N 3.26Å; V148-E150 PolarHBondContact O-N 3.28Å; V148-Q151 PolarHBondContact O-N 3.08Å; V148-D152 CarbonylContact O-C 3.55Å; V148-D152 PolarHBondContact O-N 2.91Å; V148-D152 VanDerWaalsContact O-O 3.08Å; V148-A155 HydrophobicContact CG1-CB 4.06Å; V148-F156 HydrophobicContact CG1-CB 4.16Å; V148-L159 HydrophobicContact CG1-CD1 4.3Å |
| 149 | R | 91.6 | Very high | 93 | Very high | 109 Ų | 109 | 74.9 Ų | 74.9 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.6 | -36.4 | 177.9 | -179.1 | 179.7 | 169.1 | 173.6 | 2.7 | 113.4 | M75 L145 S146 F156 | M75-R149 HydrophobicContact CE-CB 4.33Å; M75-R149 VanDerWaalsContact CE-CD 3.44Å; M75-R149 HydrophobicContact CE-CG 4.49Å; L145-R149 WeakPolarHBondContact O-CB 3.25Å; L145-R149 PolarHBondContact O-N 3.49Å; S146-R149 PolarHBondContact O-N 3.06Å; R149-F156 HydrophobicContact CB-CD2 3.74Å; R149-F156 HydrophobicContact CB-CE2 3.99Å; R149-F156 HydrophobicContact CB-CG 4.33Å; R149-F156 HydrophobicContact CG-CD2 4.28Å; R149-F156 HydrophobicContact CG-CE2 4.28Å |
| 150 | E | 91 | Very high | 93 | Very high | 155 Ų | 155 | 67.8 Ų | 67.8 | 72% | 0.724 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -79.6 | -29.9 | 179.9 | -71.4 | 177.7 | -172.6 | 0 | 0 | 113.1 | S146 S147 V148 | S146-E150 PolarHBondContact O-N 3Å; S147-E150 PolarHBondContact O-N 2.83Å; V148-E150 VanDerWaalsContact C-N 3.26Å; V148-E150 PolarHBondContact O-N 3.28Å |
| 151 | Q | 94.1 | Very high | 93 | Very high | 165 Ų | 165 | 70.2 Ų | 70.2 | 77% | 0.771 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -88 | -48.3 | -176.4 | -69.1 | 174.4 | 11.1 | 0 | 0 | 112.9 | S147 V148 | S147-Q151 VanDerWaalsContact O-CG 3.29Å; S147-Q151 WeakPolarHBondContact O-CG 3.47Å; S147-Q151 PolarHBondContact O-N 3.28Å; S147-Q151 VanDerWaalsContact O-N 3.15Å; V148-Q151 PolarHBondContact O-N 3.08Å |
| 152 | D | 92.8 | Very high | 92.9 | Very high | 80 Ų | 80 | 69.3 Ų | 69.3 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | trans | -147.2 | 106.6 | -173.5 | -173 | -2.7 | 0 | 0 | 0 | 111.1 | V148 Q154 A155 F156 | V148-D152 CarbonylContact O-C 3.55Å; V148-D152 PolarHBondContact O-N 2.91Å; V148-D152 VanDerWaalsContact O-O 3.08Å; D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 PolarHBondContact O-N 3Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.44Å; D152-Q154 PolarHBondContact OD1-N 3.49Å; D152-A155 HydrophobicContact CB-CB 3.96Å; D152-A155 PolarHBondContact OD1-N 3.37Å; D152-F156 PolarHBondContact O-N 2.71Å; D152-F156 VanDerWaalsContact O-N 3.16Å | ||
| 153 | M | 91.6 | Very high | 92.9 | Very high | 139 Ų | 139 | 69.6 Ų | 69.6 | 69% | 0.685 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.5 | -29.9 | 178.1 | -172 | 178 | -72.8 | 0 | 0 | 112.2 | F156 D157 | M153-F156 WeakPolarHBondContact O-CB 3.27Å; M153-F156 PolarHBondContact O-N 3.29Å; M153-D157 PolarHBondContact O-N 3.19Å |
| 154 | Q | 93.2 | Very high | 92.9 | Very high | 112 Ų | 112 | 65.5 Ų | 65.5 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.9 | -46.3 | 179.7 | -173.8 | 61.9 | 44.7 | 0 | 0 | 110.7 | D152 F156 D157 D158 | D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 PolarHBondContact O-N 3Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.44Å; D152-Q154 PolarHBondContact OD1-N 3.49Å; Q154-F156 PolarHBondContact O-N 3.23Å; Q154-D157 PolarHBondContact O-N 3.23Å; Q154-D157 VanDerWaalsContact O-N 3.08Å; Q154-D158 PolarHBondContact NE2-OD1 3.22Å; Q154-D158 VanDerWaalsContact O-CG 3.23Å; Q154-D158 PolarHBondContact O-N 3.45Å |
| 155 | A | 92.9 | Very high | 92.8 | Very high | 33 Ų | 33 | 67.7 Ų | 67.7 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -34.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V148 D152 L159 | V148-A155 HydrophobicContact CG1-CB 4.06Å; D152-A155 HydrophobicContact CB-CB 3.96Å; D152-A155 PolarHBondContact OD1-N 3.37Å; A155-L159 WeakPolarHBondContact O-CG 3.49Å; A155-L159 PolarHBondContact O-N 3Å |
| 156 | F | 93.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 74.3 Ų | 74.3 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 172.7 | 176.1 | -95.1 | 0 | 0 | 0 | 112 | R71 M75 L145 V148 R149 D152 M153 Q154 L159 F160 | R71-F156 HydrophobicContact CB-CE1 4.33Å; M75-F156 HydrophobicContact CE-CE2 3.79Å; M75-F156 HydrophobicContact CE-CZ 4.21Å; L145-F156 HydrophobicContact CD1-CD2 4.05Å; L145-F156 HydrophobicContact CD1-CE2 4.05Å; L145-F156 HydrophobicContact CD2-CE2 4.28Å; L145-F156 HydrophobicContact CG-CD2 4.28Å; L145-F156 HydrophobicContact CG-CE2 3.93Å; V148-F156 HydrophobicContact CG1-CB 4.16Å; R149-F156 HydrophobicContact CB-CD2 3.74Å; R149-F156 HydrophobicContact CB-CE2 3.99Å; R149-F156 HydrophobicContact CB-CG 4.33Å; R149-F156 HydrophobicContact CG-CD2 4.28Å; R149-F156 HydrophobicContact CG-CE2 4.28Å; D152-F156 PolarHBondContact O-N 2.71Å; D152-F156 VanDerWaalsContact O-N 3.16Å; M153-F156 WeakPolarHBondContact O-CB 3.27Å; M153-F156 PolarHBondContact O-N 3.29Å; Q154-F156 PolarHBondContact O-N 3.23Å; F156-L159 PolarHBondContact O-N 3.02Å; F156-F160 HydrophobicContact CD1-CD2 4.34Å; F156-F160 AromaticContact CD1-CE2 3.96Å; F156-F160 HydrophobicContact CD1-CE2 3.96Å; F156-F160 HydrophobicContact CD2-CE2 4.06Å; F156-F160 HydrophobicContact CE1-CD2 4.14Å; F156-F160 AromaticContact CE1-CE2 3.49Å; F156-F160 HydrophobicContact CE1-CE2 3.49Å; F156-F160 VanDerWaalsContact CE1-CE2 3.49Å; F156-F160 HydrophobicContact CE1-CZ 4.36Å; F156-F160 AromaticContact CE2-CE2 3.61Å; F156-F160 HydrophobicContact CE2-CE2 3.61Å; F156-F160 HydrophobicContact CE2-CZ 4.12Å; F156-F160 HydrophobicContact CG-CE2 4.24Å; F156-F160 HydrophobicContact CZ-CD2 4.36Å; F156-F160 AromaticContact CZ-CE2 3.31Å; F156-F160 HydrophobicContact CZ-CE2 3.31Å; F156-F160 AromaticContact CZ-CZ 3.82Å; F156-F160 HydrophobicContact CZ-CZ 3.82Å; F156-F160 WeakPolarHBondContact O-CD2 3.46Å |
| 157 | D | 93.5 | Very high | 92.7 | Very high | 38 Ų | 38 | 76.3 Ų | 76.3 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.7 | -81.4 | -35.7 | 0 | 0 | 0 | 112.6 | R71 M153 Q154 L159 F160 D161 | R71-D157 WeakPolarHBondContact CD-OD1 3.49Å; R71-D157 IonicContact CZ-OD1 2.91Å; R71-D157 IonicContact NE-OD1 3.17Å; R71-D157 VanDerWaalsContact NH1-CB 3.34Å; R71-D157 IonicContact NH1-OD1 2.61Å; R71-D157 PolarHBondContact NH1-OD1 3.02Å; R71-D157 IonicContact NH1-OD2 3.33Å; M153-D157 PolarHBondContact O-N 3.19Å; Q154-D157 PolarHBondContact O-N 3.23Å; Q154-D157 VanDerWaalsContact O-N 3.08Å; D157-L159 PolarHBondContact O-N 2.83Å; D157-F160 PolarHBondContact O-N 3.45Å; D157-D161 PolarHBondContact O-N 3.06Å |
| 158 | D | 93.5 | Very high | 92.6 | Very high | 70 Ų | 70 | 74.3 Ų | 74.3 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.6 | -33.1 | 179 | -66.7 | -12.1 | 0 | 0 | 0 | 112 | Q154 F160 D161 Q162 | Q154-D158 PolarHBondContact NE2-OD1 3.22Å; Q154-D158 VanDerWaalsContact O-CG 3.23Å; Q154-D158 PolarHBondContact O-N 3.45Å; D158-F160 VanDerWaalsContact C-N 3.34Å; D158-F160 PolarHBondContact O-N 3.48Å; D158-D161 PolarHBondContact O-N 2.93Å; D158-Q162 VanDerWaalsContact O-CG 3.25Å; D158-Q162 WeakPolarHBondContact O-CG 3.08Å; D158-Q162 PolarHBondContact O-N 2.82Å |
| 159 | L | 93.2 | Very high | 92.6 | Very high | 36 Ų | 36 | 73 Ų | 73 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 174.9 | -72.6 | 170.2 | 0 | 0 | 0 | 112.4 | V140 L145 V148 A155 F156 D157 | V140-L159 HydrophobicContact CG2-CD2 4.17Å; L145-L159 HydrophobicContact CD1-CD1 3.87Å; V148-L159 HydrophobicContact CG1-CD1 4.3Å; A155-L159 WeakPolarHBondContact O-CG 3.49Å; A155-L159 PolarHBondContact O-N 3Å; F156-L159 PolarHBondContact O-N 3.02Å; D157-L159 PolarHBondContact O-N 2.83Å |
| 160 | F | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -76 | -36.1 | 176.1 | -68.6 | -80.9 | 0 | 0 | 0 | 111.8 | V69 R71 C74 L114 L138 L145 F156 D157 D158 Q162 V163 T164 | V69-F160 HydrophobicContact CB-CD1 3.93Å; V69-F160 HydrophobicContact CG1-CD1 3.58Å; V69-F160 HydrophobicContact CG1-CE1 3.81Å; R71-F160 HydrophobicContact CG-CB 4.47Å; R71-F160 HydrophobicContact CG-CD2 4.18Å; R71-F160 HydrophobicContact CG-CG 4.15Å; C74-F160 HydrophobicContact CB-CZ 4.38Å; L114-F160 HydrophobicContact CD2-CE1 4.07Å; L138-F160 HydrophobicContact CD1-CE1 3.93Å; L138-F160 HydrophobicContact CD1-CZ 4.17Å; L138-F160 HydrophobicContact CD2-CD1 3.88Å; L138-F160 HydrophobicContact CD2-CE1 3.92Å; L145-F160 HydrophobicContact CD2-CZ 4.45Å; F156-F160 HydrophobicContact CD1-CD2 4.34Å; F156-F160 AromaticContact CD1-CE2 3.96Å; F156-F160 HydrophobicContact CD1-CE2 3.96Å; F156-F160 HydrophobicContact CD2-CE2 4.06Å; F156-F160 HydrophobicContact CE1-CD2 4.14Å; F156-F160 AromaticContact CE1-CE2 3.49Å; F156-F160 HydrophobicContact CE1-CE2 3.49Å; F156-F160 VanDerWaalsContact CE1-CE2 3.49Å; F156-F160 HydrophobicContact CE1-CZ 4.36Å; F156-F160 AromaticContact CE2-CE2 3.61Å; F156-F160 HydrophobicContact CE2-CE2 3.61Å; F156-F160 HydrophobicContact CE2-CZ 4.12Å; F156-F160 HydrophobicContact CG-CE2 4.24Å; F156-F160 HydrophobicContact CZ-CD2 4.36Å; F156-F160 AromaticContact CZ-CE2 3.31Å; F156-F160 HydrophobicContact CZ-CE2 3.31Å; F156-F160 AromaticContact CZ-CZ 3.82Å; F156-F160 HydrophobicContact CZ-CZ 3.82Å; F156-F160 WeakPolarHBondContact O-CD2 3.46Å; D157-F160 PolarHBondContact O-N 3.45Å; D158-F160 VanDerWaalsContact C-N 3.34Å; D158-F160 PolarHBondContact O-N 3.48Å; F160-Q162 VanDerWaalsContact C-N 3.3Å; F160-Q162 PolarHBondContact O-N 3.06Å; F160-V163 PolarHBondContact O-N 3.06Å; F160-T164 PolarHBondContact O-N 3.14Å; F160-T164 VanDerWaalsContact O-N 3.14Å; F160-T164 PolarHBondContact O-OG1 2.8Å |
| 161 | D | 92.9 | Very high | 92.7 | Very high | 77 Ų | 77 | 66 Ų | 66 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 177.3 | -72.4 | -29.1 | 0 | 0 | 0 | 111.8 | R71 D157 D158 V163 T164 | R71-D161 IonicContact CZ-OD1 3.93Å; R71-D161 IonicContact NH1-OD2 3.86Å; R71-D161 IonicContact NH2-OD1 2.69Å; R71-D161 PolarHBondContact NH2-OD1 3.01Å; R71-D161 IonicContact NH2-OD2 2.7Å; D157-D161 PolarHBondContact O-N 3.06Å; D158-D161 PolarHBondContact O-N 2.93Å; D161-V163 PolarHBondContact O-N 3.33Å; D161-T164 PolarHBondContact O-N 3.32Å |
| 162 | Q | 92.3 | Very high | 92.7 | Very high | 109 Ų | 109 | 58.2 Ų | 58.2 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.4 | -33 | 174.7 | -77.5 | 171.7 | 44.5 | 0 | 0 | 113.7 | D158 F160 R166 | D158-Q162 VanDerWaalsContact O-CG 3.25Å; D158-Q162 WeakPolarHBondContact O-CG 3.08Å; D158-Q162 PolarHBondContact O-N 2.82Å; F160-Q162 VanDerWaalsContact C-N 3.3Å; F160-Q162 PolarHBondContact O-N 3.06Å; Q162-R166 WeakPolarHBondContact O-CD 3.17Å; Q162-R166 VanDerWaalsContact O-CZ 3.27Å; Q162-R166 PolarHBondContact O-NE 2.91Å; Q162-R166 PolarHBondContact O-NH2 2.89Å |
| 163 | V | 92.5 | Very high | 92.6 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -89.6 | -23.2 | -178 | 177 | 0 | 0 | 0 | 0 | 112 | I66 L137 L138 F160 D161 R166 F168 | I66-V163 HydrophobicContact CD1-CG1 3.65Å; L137-V163 HydrophobicContact CD1-CG1 3.76Å; L137-V163 HydrophobicContact CD2-CG1 4.27Å; L137-V163 HydrophobicContact CG-CG1 3.78Å; L137-V163 WeakPolarHBondContact O-CG2 3.43Å; L138-V163 HydrophobicContact CD2-CG2 4.1Å; F160-V163 PolarHBondContact O-N 3.06Å; D161-V163 PolarHBondContact O-N 3.33Å; V163-R166 WeakPolarHBondContact O-CB 3.22Å; V163-R166 PolarHBondContact O-N 2.86Å; V163-F168 HydrophobicContact CG1-CE2 4.09Å; V163-F168 HydrophobicContact CG1-CZ 4.39Å |
| 164 | T | 93.3 | Very high | 92.6 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 144 | 179 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | L67 F160 D161 R166 | L67-T164 VanDerWaalsContact O-CG2 3.25Å; L67-T164 WeakPolarHBondContact O-CG2 3.27Å; F160-T164 PolarHBondContact O-N 3.14Å; F160-T164 VanDerWaalsContact O-N 3.14Å; F160-T164 PolarHBondContact O-OG1 2.8Å; D161-T164 PolarHBondContact O-N 3.32Å; T164-R166 PolarHBondContact O-N 3.17Å |
| 165 | F | 91.5 | Very high | 92.3 | Very high | 152 Ų | 152 | 49.2 Ų | 49.2 | 67% | 0.667 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 15 | -173.6 | -57.1 | -67.5 | 0 | 0 | 0 | 116.4 | I66 L67 | I66-F165 VanDerWaalsContact O-CA 3.29Å; I66-F165 WeakPolarHBondContact O-CA 3.28Å; I66-F165 PolarHBondContact O-N 2.61Å; L67-F165 HydrophobicContact CD2-CE1 4.2Å |
| 166 | R | 91.8 | Very high | 92 | Very high | 140 Ų | 140 | 50.7 Ų | 50.7 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | trans | -90.3 | 149.5 | 168.8 | -64.2 | -166.9 | -174.3 | -164.5 | 5.2 | 112.4 | T65 I66 Q162 V163 T164 F168 | T65-R166 WeakPolarHBondContact CA-O 3.46Å; I66-R166 PolarHBondContact N-O 3.08Å; Q162-R166 WeakPolarHBondContact O-CD 3.17Å; Q162-R166 VanDerWaalsContact O-CZ 3.27Å; Q162-R166 PolarHBondContact O-NE 2.91Å; Q162-R166 PolarHBondContact O-NH2 2.89Å; V163-R166 WeakPolarHBondContact O-CB 3.22Å; V163-R166 PolarHBondContact O-N 2.86Å; T164-R166 PolarHBondContact O-N 3.17Å; R166-F168 HydrophobicContact CB-CD2 4.24Å; R166-F168 HydrophobicContact CB-CE2 3.52Å; R166-F168 HydrophobicContact CB-CZ 4.06Å | ||
| 167 | N | 91.1 | Very high | 91.6 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.5 | 178.3 | -67.4 | -25.3 | 0 | 0 | 0 | 110.2 | G64 T65 V195 E236 | G64-N167 WeakPolarHBondContact O-CA 3.4Å; T65-N167 WeakPolarHBondContact CB-OD1 3.36Å; T65-N167 WeakPolarHBondContact CG2-OD1 3.4Å; T65-N167 PolarHBondContact OG1-OD1 2.79Å; N167-V195 HydrophobicContact CB-CG2 4.33Å; N167-E236 PolarHBondContact ND2-OE2 3.24Å |
| 168 | F | 92.7 | Very high | 91.3 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 162.6 | 174.7 | -63.1 | -89.4 | 0 | 0 | 0 | 110.2 | G64 I66 L137 V163 R166 F170 V192 D194 | G64-F168 PolarHBondContact N-O 3.09Å; G64-F168 PolarHBondContact O-N 2.88Å; I66-F168 HydrophobicContact CD1-CD2 3.67Å; I66-F168 HydrophobicContact CD1-CE2 3.71Å; I66-F168 HydrophobicContact CG1-CD2 4.24Å; L137-F168 HydrophobicContact CD1-CD1 4.37Å; L137-F168 HydrophobicContact CD1-CD2 3.93Å; L137-F168 HydrophobicContact CD1-CE1 4.12Å; L137-F168 HydrophobicContact CD1-CE2 3.66Å; L137-F168 HydrophobicContact CD1-CG 4.27Å; L137-F168 HydrophobicContact CD1-CZ 3.77Å; V163-F168 HydrophobicContact CG1-CE2 4.09Å; V163-F168 HydrophobicContact CG1-CZ 4.39Å; R166-F168 HydrophobicContact CB-CD2 4.24Å; R166-F168 HydrophobicContact CB-CE2 3.52Å; R166-F168 HydrophobicContact CB-CZ 4.06Å; F168-F170 HydrophobicContact CB-CD2 4.31Å; F168-F170 HydrophobicContact CB-CE1 4.1Å; F168-F170 HydrophobicContact CB-CE2 3.67Å; F168-F170 HydrophobicContact CB-CZ 3.56Å; F168-F170 HydrophobicContact CD2-CZ 4.17Å; F168-F170 HydrophobicContact CG-CZ 4.25Å; F168-V192 HydrophobicContact CB-CG1 4.03Å; F168-V192 HydrophobicContact CD1-CG1 3.92Å; F168-V192 HydrophobicContact CG-CG1 4.13Å; F168-D194 WeakPolarHBondContact CD1-OD1 3.45Å; F168-D194 WeakPolarHBondContact CE1-OD1 3.29Å |
| 169 | L | 91.8 | Very high | 90.9 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.4 | 171.5 | -164.5 | 146.2 | 0 | 0 | 0 | 108.5 | Y35 T61 E193 V195 | Y35-L169 HydrophobicContact CD1-CD1 3.14Å; Y35-L169 HydrophobicContact CE1-CD1 3.37Å; Y35-L169 HydrophobicContact CG-CD1 4.17Å; T61-L169 HydrophobicContact CG2-CD1 4.46Å; T61-L169 HydrophobicContact CG2-CD2 3.25Å; T61-L169 HydrophobicContact CG2-CG 3.92Å; L169-E193 HydrophobicContact CB-CB 4.4Å; L169-E193 PolarHBondContact N-O 2.82Å; L169-E193 PolarHBondContact O-N 3.31Å; L169-V195 HydrophobicContact CB-CG2 4.26Å |
| 170 | F | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.6 | -175.9 | -59.5 | -83.6 | 0 | 0 | 0 | 110 | T61 V62 I66 I118 M129 F168 L172 V192 | T61-F170 CarbonylContact C-O 3.51Å; T61-F170 WeakPolarHBondContact CA-O 3.09Å; V62-F170 PolarHBondContact N-O 3.17Å; V62-F170 PolarHBondContact O-N 2.84Å; I66-F170 HydrophobicContact CD1-CZ 4Å; I66-F170 HydrophobicContact CG1-CZ 3.8Å; I118-F170 HydrophobicContact CD1-CD1 3.77Å; I118-F170 HydrophobicContact CD1-CD2 3.86Å; I118-F170 HydrophobicContact CD1-CE1 3.65Å; I118-F170 HydrophobicContact CD1-CE2 3.74Å; I118-F170 HydrophobicContact CD1-CG 3.86Å; I118-F170 HydrophobicContact CD1-CZ 3.62Å; I118-F170 HydrophobicContact CG1-CE2 4.29Å; I118-F170 HydrophobicContact CG1-CZ 4.19Å; I118-F170 HydrophobicContact CG2-CD2 4.01Å; I118-F170 HydrophobicContact CG2-CE2 3.65Å; I118-F170 HydrophobicContact CG2-CZ 4.34Å; M129-F170 HydrophobicContact CE-CD1 4.41Å; M129-F170 HydrophobicContact CE-CE1 4.32Å; F168-F170 HydrophobicContact CB-CD2 4.31Å; F168-F170 HydrophobicContact CB-CE1 4.1Å; F168-F170 HydrophobicContact CB-CE2 3.67Å; F168-F170 HydrophobicContact CB-CZ 3.56Å; F168-F170 HydrophobicContact CD2-CZ 4.17Å; F168-F170 HydrophobicContact CG-CZ 4.25Å; F170-L172 HydrophobicContact CB-CD2 3.85Å; F170-L172 HydrophobicContact CB-CG 4.13Å; F170-V192 HydrophobicContact CD1-CG1 4.35Å; F170-V192 HydrophobicContact CD1-CG2 4.14Å; F170-V192 HydrophobicContact CE1-CG1 4.14Å; F170-V192 HydrophobicContact CE1-CG2 4.32Å |
| 171 | R | 92.5 | Very high | 90.3 | Very high | 117 Ų | 117 | 71.7 Ų | 71.7 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 106.5 | 163.9 | -168.8 | 171.8 | 174.9 | 166 | -3.4 | 108.6 | F60 V190 R191 | F60-R171 CarbonylContact O-C 3.48Å; F60-R171 WeakPolarHBondContact O-CA 3.43Å; R171-V190 PolarHBondContact O-N 3.01Å; R171-R191 HydrophobicContact CB-CB 3.94Å; R171-R191 PolarHBondContact N-O 3.08Å; R171-R191 PolarHBondContact O-N 2.9Å |
| 172 | L | 92.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.4 | -176.8 | -56.3 | -177.9 | 0 | 0 | 0 | 110.3 | L43 Y59 F60 V62 V127 F170 F187 I188 C189 | L43-L172 HydrophobicContact CD2-CD1 4.04Å; Y59-L172 CarbonylContact C-O 3.48Å; Y59-L172 WeakPolarHBondContact CA-O 3.11Å; F60-L172 PolarHBondContact N-O 2.97Å; F60-L172 PolarHBondContact O-N 3.04Å; V62-L172 HydrophobicContact CB-CD1 4.4Å; V62-L172 HydrophobicContact CG2-CD1 4.03Å; V127-L172 HydrophobicContact CB-CD2 4.42Å; V127-L172 HydrophobicContact CG1-CD2 3.54Å; V127-L172 HydrophobicContact CG2-CD1 4.2Å; V127-L172 HydrophobicContact CG2-CD2 3.98Å; F170-L172 HydrophobicContact CB-CD2 3.85Å; F170-L172 HydrophobicContact CB-CG 4.13Å; L172-F187 HydrophobicContact CD1-CD1 4.14Å; L172-I188 CarbonylContact C-O 3.53Å; L172-I188 WeakPolarHBondContact CA-O 3.49Å; L172-C189 HydrophobicContact CD2-CB 4.16Å |
| 173 | R | 91.7 | Very high | 89.8 | Confident | 69 Ų | 69 | 73.1 Ų | 73.1 | 26% | 0.26 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.2 | 162.7 | 178.3 | -176.8 | -176.7 | -171 | -4.4 | 107.7 | Q56 D58 Y59 I188 V190 | Q56-R173 PolarHBondContact O-NE 3.21Å; Q56-R173 PolarHBondContact O-NH2 2.69Å; D58-R173 CarbonylContact O-C 3.59Å; D58-R173 WeakPolarHBondContact O-CA 3.15Å; Y59-R173 HydrophobicContact CD1-CB 4.06Å; Y59-R173 HydrophobicContact CD1-CG 4.46Å; Y59-R173 HydrophobicContact CE1-CB 3.91Å; Y59-R173 HydrophobicContact CE1-CG 4.05Å; Y59-R173 HydrophobicContact CE2-CG 4.48Å; R173-I188 HydrophobicContact CB-CB 4.48Å; R173-I188 PolarHBondContact N-O 2.96Å; R173-I188 PolarHBondContact O-N 2.82Å; R173-V190 HydrophobicContact CB-CG2 3.65Å |
| 174 | V | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.6 | -178.6 | -169.2 | 0 | 0 | 0 | 0 | 108.2 | I46 C50 G57 D58 F60 V185 R186 F187 | I46-V174 HydrophobicContact CG2-CG2 4.07Å; C50-V174 WeakPolarHBondContact SG-CG1 3.17Å; G57-V174 CarbonylContact C-O 3.52Å; G57-V174 VanDerWaalsContact CA-O 3.28Å; G57-V174 WeakPolarHBondContact CA-O 3.41Å; D58-V174 PolarHBondContact N-O 2.92Å; D58-V174 PolarHBondContact O-N 3.41Å; F60-V174 HydrophobicContact CD2-CB 4.42Å; F60-V174 HydrophobicContact CD2-CG2 3.74Å; F60-V174 HydrophobicContact CE2-CB 4.32Å; F60-V174 HydrophobicContact CE2-CG2 4.09Å; V174-V185 HydrophobicContact CG1-CG1 3.28Å; V174-R186 WeakPolarHBondContact CA-O 3.27Å; V174-F187 HydrophobicContact CB-CD1 4.44Å; V174-F187 HydrophobicContact CB-CE1 4.45Å; V174-F187 HydrophobicContact CG1-CD1 4.21Å; V174-F187 HydrophobicContact CG1-CE1 3.96Å; V174-F187 HydrophobicContact CG1-CZ 4.19Å; V174-F187 HydrophobicContact CG2-CD1 3.43Å; V174-F187 VanDerWaalsContact CG2-CD1 3.43Å; V174-F187 HydrophobicContact CG2-CE1 3.56Å; V174-F187 HydrophobicContact CG2-CG 4.35Å |
| 175 | K | 87.9 | Confident | 89.2 | Confident | 73 Ų | 73 | 80.3 Ų | 80.3 | 32% | 0.317 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141 | -178.1 | -173.3 | 179.4 | 177.3 | -178.4 | 0 | 109.2 | R186 | K175-R186 PolarHBondContact N-O 3.48Å; K175-R186 PolarHBondContact O-N 3.11Å |
| 176 | Q | 86.8 | Confident | 89.1 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 126.4 | 168.3 | -71.4 | 177.4 | -5.2 | 0 | 0 | 109.4 | T48 I183 V185 | T48-Q176 PolarHBondContact O-NE2 3.16Å; Q176-I183 HydrophobicContact CB-CG2 3.96Å; Q176-I183 HydrophobicContact CG-CG2 4.14Å; Q176-V185 HydrophobicContact CG-CG2 4.07Å |
| 177 | E | 85.2 | Confident | 89.2 | Confident | 71 Ų | 71 | 71.4 Ų | 71.4 | 33% | 0.332 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.8 | 173.5 | -66.5 | -175.3 | 168 | 0 | 0 | 108.5 | R184 R186 | E177-R184 PolarHBondContact N-O 3.42Å; E177-R184 PolarHBondContact O-N 3.23Å; E177-R186 IonicContact OE1-NH1 3.8Å; E177-R186 WeakPolarHBondContact OE2-CD 3.5Å; E177-R186 IonicContact OE2-CZ 3.65Å; E177-R186 IonicContact OE2-NE 2.63Å; E177-R186 IonicContact OE2-NH1 3.96Å; E177-R186 PolarHBondContact OE2-NH1 3.05Å |
| 178 | T | 86.8 | Confident | 89.3 | Confident | 97 Ų | 97 | 69.8 Ų | 69.8 | 60% | 0.595 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.2 | 174.1 | -49.9 | 0 | 0 | 0 | 0 | 109.1 | E182 | T178-E182 CarbonylContact C-O 3.57Å; T178-E182 WeakPolarHBondContact CA-O 3.5Å |
| 179 | Y | 83.9 | Confident | 89.5 | Confident | 144 Ų | 144 | 69.4 Ų | 69.4 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122.3 | 175.4 | -177.8 | -99 | 0 | 0 | 0 | 109.1 | D181 E182 | Y179-D181 VanDerWaalsContact C-N 3.28Å; Y179-D181 PolarHBondContact O-N 3.43Å; Y179-E182 PolarHBondContact N-O 3.41Å; Y179-E182 WeakPolarHBondContact O-CB 3.07Å; Y179-E182 PolarHBondContact O-N 3.42Å |
| 180 | N | 88.4 | Confident | 89.6 | Confident | 122 Ų | 122 | 72.1 Ų | 72.1 | 65% | 0.652 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 46.7 | -175.5 | -62 | -14.7 | 0 | 0 | 0 | 113 | E182 | N180-E182 PolarHBondContact O-N 3.31Å; N180-E182 VanDerWaalsContact O-N 3.07Å |
| 181 | D | 86.4 | Confident | 89.6 | Confident | 161 Ų | 161 | 78.3 Ų | 78.3 | 86% | 0.861 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 3.1 | -176.9 | -52.9 | -46.1 | 0 | 0 | 0 | 115.9 | Y179 | Y179-D181 VanDerWaalsContact C-N 3.28Å; Y179-D181 PolarHBondContact O-N 3.43Å |
| 182 | E | 88.7 | Confident | 89.7 | Confident | 104 Ų | 104 | 73.4 Ų | 73.4 | 49% | 0.486 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.3 | 170 | -65.8 | -177.2 | 179.8 | 0 | 0 | 111 | T178 Y179 N180 R184 | T178-E182 CarbonylContact C-O 3.57Å; T178-E182 WeakPolarHBondContact CA-O 3.5Å; Y179-E182 PolarHBondContact N-O 3.41Å; Y179-E182 WeakPolarHBondContact O-CB 3.07Å; Y179-E182 PolarHBondContact O-N 3.42Å; N180-E182 PolarHBondContact O-N 3.31Å; N180-E182 VanDerWaalsContact O-N 3.07Å; E182-R184 IonicContact OE2-CZ 2.91Å; E182-R184 IonicContact OE2-NE 2.74Å; E182-R184 PolarHBondContact OE2-NE 2.82Å; E182-R184 IonicContact OE2-NH2 3.95Å; E182-R184 PolarHBondContact OE2-NH2 2.65Å |
| 183 | I | 85.5 | Confident | 89.6 | Confident | 113 Ų | 113 | 76.4 Ų | 76.4 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 118.5 | 173.2 | -57.5 | 173 | 0 | 0 | 0 | 108.3 | Q176 | Q176-I183 HydrophobicContact CB-CG2 3.96Å; Q176-I183 HydrophobicContact CG-CG2 4.14Å |
| 184 | R | 85.4 | Confident | 89.5 | Confident | 140 Ų | 140 | 79.3 Ų | 79.3 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.4 | 177 | -63.7 | -177.8 | -179.2 | -179.1 | -1.6 | 110.1 | E177 E182 | E177-R184 PolarHBondContact N-O 3.42Å; E177-R184 PolarHBondContact O-N 3.23Å; E182-R184 IonicContact OE2-CZ 2.91Å; E182-R184 IonicContact OE2-NE 2.74Å; E182-R184 PolarHBondContact OE2-NE 2.82Å; E182-R184 IonicContact OE2-NH2 3.95Å; E182-R184 PolarHBondContact OE2-NH2 2.65Å |
| 185 | V | 87.6 | Confident | 89.3 | Confident | 41 Ų | 41 | 80.4 Ų | 80.4 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.4 | 175 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | T48 V174 Q176 F187 | T48-V185 HydrophobicContact CG2-CG2 4.11Å; T48-V185 WeakPolarHBondContact O-CG2 3.36Å; V174-V185 HydrophobicContact CG1-CG1 3.28Å; Q176-V185 HydrophobicContact CG-CG2 4.07Å; V185-F187 HydrophobicContact CG1-CD2 4.42Å; V185-F187 HydrophobicContact CG1-CE2 3.82Å; V185-F187 HydrophobicContact CG1-CZ 4.09Å |
| 186 | R | 90.2 | Very high | 89.1 | Confident | 84 Ų | 84 | 78.7 Ų | 78.7 | 32% | 0.317 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.5 | 178.6 | -169 | 173.9 | -176.5 | 178.2 | 0.5 | 110.6 | V174 K175 E177 I188 | V174-R186 WeakPolarHBondContact CA-O 3.27Å; K175-R186 PolarHBondContact N-O 3.48Å; K175-R186 PolarHBondContact O-N 3.11Å; E177-R186 IonicContact OE1-NH1 3.8Å; E177-R186 WeakPolarHBondContact OE2-CD 3.5Å; E177-R186 IonicContact OE2-CZ 3.65Å; E177-R186 IonicContact OE2-NE 2.63Å; E177-R186 IonicContact OE2-NH1 3.96Å; E177-R186 PolarHBondContact OE2-NH1 3.05Å; R186-I188 HydrophobicContact CG-CG1 4.22Å |
| 187 | F | 93.1 | Very high | 88.6 | Confident | 21 Ų | 21 | 80.5 Ų | 80.5 | 9% | 0.092 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.6 | 174.4 | -62.5 | -99.1 | 0 | 0 | 0 | 109.2 | I46 T125 V127 T128 L172 V174 V185 | I46-F187 HydrophobicContact CB-CE1 4.41Å; I46-F187 HydrophobicContact CD1-CE1 4.38Å; I46-F187 HydrophobicContact CG2-CE1 3.94Å; I46-F187 HydrophobicContact CG2-CZ 4.46Å; T125-F187 HydrophobicContact CG2-CB 4.34Å; T125-F187 HydrophobicContact CG2-CD1 4.1Å; T125-F187 HydrophobicContact CG2-CD2 3.27Å; T125-F187 HydrophobicContact CG2-CE1 4.24Å; T125-F187 HydrophobicContact CG2-CE2 3.44Å; T125-F187 VanDerWaalsContact CG2-CE2 3.44Å; T125-F187 HydrophobicContact CG2-CG 3.65Å; T125-F187 HydrophobicContact CG2-CZ 3.94Å; V127-F187 WeakPolarHBondContact CA-O 3.25Å; V127-F187 HydrophobicContact CB-CB 4.48Å; V127-F187 HydrophobicContact CG2-CB 3.89Å; T128-F187 PolarHBondContact N-O 3.48Å; L172-F187 HydrophobicContact CD1-CD1 4.14Å; V174-F187 HydrophobicContact CB-CD1 4.44Å; V174-F187 HydrophobicContact CB-CE1 4.45Å; V174-F187 HydrophobicContact CG1-CD1 4.21Å; V174-F187 HydrophobicContact CG1-CE1 3.96Å; V174-F187 HydrophobicContact CG1-CZ 4.19Å; V174-F187 HydrophobicContact CG2-CD1 3.43Å; V174-F187 VanDerWaalsContact CG2-CD1 3.43Å; V174-F187 HydrophobicContact CG2-CE1 3.56Å; V174-F187 HydrophobicContact CG2-CG 4.35Å; V185-F187 HydrophobicContact CG1-CD2 4.42Å; V185-F187 HydrophobicContact CG1-CE2 3.82Å; V185-F187 HydrophobicContact CG1-CZ 4.09Å |
| 188 | I | 94.6 | Very high | 88.6 | Confident | 21 Ų | 21 | 81.7 Ų | 81.7 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125 | -179.1 | -62.6 | 173.3 | 0 | 0 | 0 | 108 | T128 F130 L172 R173 R186 | T128-I188 WeakPolarHBondContact O-CA 3.47Å; F130-I188 HydrophobicContact CD2-CG2 4.01Å; F130-I188 HydrophobicContact CE2-CG2 3.55Å; L172-I188 CarbonylContact C-O 3.53Å; L172-I188 WeakPolarHBondContact CA-O 3.49Å; R173-I188 HydrophobicContact CB-CB 4.48Å; R173-I188 PolarHBondContact N-O 2.96Å; R173-I188 PolarHBondContact O-N 2.82Å; R186-I188 HydrophobicContact CG-CG1 4.22Å |
| 189 | C | 95.5 | Very high | 88.3 | Confident | 3 Ų | 3 | 82.4 Ų | 82.4 | 2% | 0.02 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.5 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | V127 T128 M129 L172 R191 V192 | V127-C189 HydrophobicContact CG1-CB 3.77Å; T128-C189 PolarHBondContact O-N 3.34Å; M129-C189 HydrophobicContact CE-CB 3.54Å; M129-C189 WeakPolarHBondContact CE-SG 3.15Å; M129-C189 HydrophobicContact SD-CB 3.07Å; M129-C189 WeakPolarHBondContact SD-CB 3.34Å; L172-C189 HydrophobicContact CD2-CB 4.16Å; C189-R191 PolarHBondContact SG-O 3.32Å; C189-V192 WeakPolarHBondContact SG-CG2 3.32Å |
| 190 | V | 94.3 | Very high | 88.1 | Confident | 69 Ų | 69 | 77 Ų | 77 | 42% | 0.418 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -34.6 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | Y59 T133 R171 R173 | Y59-V190 HydrophobicContact CD1-CG2 4.25Å; Y59-V190 HydrophobicContact CE1-CG2 3.92Å; T133-V190 WeakPolarHBondContact CG2-O 3.42Å; R171-V190 PolarHBondContact O-N 3.01Å; R173-V190 HydrophobicContact CB-CG2 3.65Å |
| 191 | R | 93.8 | Very high | 87.7 | Confident | 129 Ų | 129 | 72.8 Ų | 72.8 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 141 | -179.3 | -171.3 | 175.6 | 177.1 | 162.9 | -5.6 | 110.3 | R171 C189 E193 | R171-R191 HydrophobicContact CB-CB 3.94Å; R171-R191 PolarHBondContact N-O 3.08Å; R171-R191 PolarHBondContact O-N 2.9Å; C189-R191 PolarHBondContact SG-O 3.32Å; R191-E193 HydrophobicContact CG-CG 4.2Å; R191-E193 IonicContact CZ-OE1 3.95Å; R191-E193 IonicContact NE-OE1 3.67Å; R191-E193 PolarHBondContact NE-OE1 2.79Å; R191-E193 IonicContact NH2-OE1 2.95Å; R191-E193 PolarHBondContact NH2-OE1 3.33Å |
| 192 | V | 93.8 | Very high | 87.5 | Confident | 15 Ų | 15 | 67.3 Ų | 67.3 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.8 | 173.8 | -173.1 | 0 | 0 | 0 | 0 | 107.6 | M129 T133 L137 F168 F170 C189 | M129-V192 HydrophobicContact CE-CG2 3.11Å; T133-V192 HydrophobicContact CG2-CG2 4.47Å; L137-V192 HydrophobicContact CD1-CG1 4.12Å; F168-V192 HydrophobicContact CB-CG1 4.03Å; F168-V192 HydrophobicContact CD1-CG1 3.92Å; F168-V192 HydrophobicContact CG-CG1 4.13Å; F170-V192 HydrophobicContact CD1-CG1 4.35Å; F170-V192 HydrophobicContact CD1-CG2 4.14Å; F170-V192 HydrophobicContact CE1-CG1 4.14Å; F170-V192 HydrophobicContact CE1-CG2 4.32Å; C189-V192 WeakPolarHBondContact SG-CG2 3.32Å |
| 193 | E | 91.9 | Very high | 86.9 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 150.3 | 175.1 | -56.5 | -174.5 | 142.7 | 0 | 0 | 110.2 | L169 R191 | L169-E193 HydrophobicContact CB-CB 4.4Å; L169-E193 PolarHBondContact N-O 2.82Å; L169-E193 PolarHBondContact O-N 3.31Å; R191-E193 HydrophobicContact CG-CG 4.2Å; R191-E193 IonicContact CZ-OE1 3.95Å; R191-E193 IonicContact NE-OE1 3.67Å; R191-E193 PolarHBondContact NE-OE1 2.79Å; R191-E193 IonicContact NH2-OE1 2.95Å; R191-E193 PolarHBondContact NH2-OE1 3.33Å |
| 194 | D | 90.1 | Very high | 86.5 | Confident | 130 Ų | 130 | 58.7 Ų | 58.7 | 70% | 0.695 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 141.7 | 171.1 | -64.3 | -44.8 | 0 | 0 | 0 | 110.4 | F168 S196 | F168-D194 WeakPolarHBondContact CD1-OD1 3.45Å; F168-D194 WeakPolarHBondContact CE1-OD1 3.29Å; D194-S196 PolarHBondContact O-N 3.41Å |
| 195 | V | 85.6 | Confident | 86.2 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | trans | -79.6 | 118.6 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | K63 N167 L169 L197 Y200 | K63-V195 HydrophobicContact CD-CG1 4.27Å; K63-V195 HydrophobicContact CD-CG2 4.31Å; K63-V195 HydrophobicContact CG-CG2 4.07Å; N167-V195 HydrophobicContact CB-CG2 4.33Å; L169-V195 HydrophobicContact CB-CG2 4.26Å; V195-L197 PolarHBondContact O-N 3.07Å; V195-Y200 HydrophobicContact CG1-CD2 4.43Å; V195-Y200 HydrophobicContact CG1-CG 4.08Å | ||
| 196 | S | 83.2 | Confident | 85.7 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | trans | -77.2 | 112.7 | 169 | 86 | 0 | 0 | 0 | 0 | 108.7 | Y35 D194 P198 E199 Y200 | Y35-S196 PolarHBondContact OH-N 2.92Å; Y35-S196 VanDerWaalsContact OH-N 3.11Å; Y35-S196 PolarHBondContact OH-O 2.86Å; Y35-S196 VanDerWaalsContact OH-O 3.06Å; Y35-S196 PolarHBondContact OH-OG 2.82Å; D194-S196 PolarHBondContact O-N 3.41Å; S196-P198 VanDerWaalsContact C-CD 3.48Å; S196-E199 PolarHBondContact O-N 2.76Å; S196-E199 WeakPolarHBondContact OG-CB 3.34Å; S196-E199 WeakPolarHBondContact OG-CG 3.21Å; S196-E199 PolarHBondContact OG-OE2 3.24Å; S196-Y200 VanDerWaalsContact O-CB 3.27Å; S196-Y200 WeakPolarHBondContact O-CB 3.41Å; S196-Y200 PolarHBondContact O-N 2.99Å | ||
| 197 | L | 77.9 | Confident | 84.8 | Confident | 102 Ų | 102 | 59 Ų | 59 | 53% | 0.534 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -51.9 | -48.7 | 177.8 | -67.2 | 175.7 | 0 | 0 | 0 | 113.4 | V195 E199 Y200 L201 E236 | V195-L197 PolarHBondContact O-N 3.07Å; L197-E199 PolarHBondContact O-N 3.31Å; L197-Y200 PolarHBondContact O-N 3.12Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.37Å; L197-L201 PolarHBondContact O-N 2.91Å; L197-E236 WeakPolarHBondContact CD2-OE1 3.43Å |
| 198 | P | 83.3 | Confident | 84 | Confident | 97 Ų | 97 | 60.4 Ų | 60.4 | 63% | 0.63 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.5 | -39.8 | -174.9 | 25 | -34.3 | 0 | 0 | 0 | 113.2 | S196 Y200 S202 | S196-P198 VanDerWaalsContact C-CD 3.48Å; P198-Y200 VanDerWaalsContact C-N 3.28Å; P198-Y200 PolarHBondContact O-N 3.16Å; P198-S202 WeakPolarHBondContact O-CB 3.34Å; P198-S202 PolarHBondContact O-N 3.17Å |
| 199 | E | 80.5 | Confident | 83.1 | Confident | 111 Ų | 111 | 60.8 Ų | 60.8 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69 | -35.5 | 176.9 | -57 | 172.8 | 160.3 | 0 | 0 | 109.9 | Y35 S196 L197 S202 C203 | Y35-E199 HydrophobicContact CE2-CB 3.59Å; Y35-E199 PolarHBondContact OH-OE2 3.44Å; S196-E199 PolarHBondContact O-N 2.76Å; S196-E199 WeakPolarHBondContact OG-CB 3.34Å; S196-E199 WeakPolarHBondContact OG-CG 3.21Å; S196-E199 PolarHBondContact OG-OE2 3.24Å; L197-E199 PolarHBondContact O-N 3.31Å; E199-S202 PolarHBondContact O-N 2.98Å; E199-C203 WeakPolarHBondContact O-CB 3.38Å; E199-C203 PolarHBondContact O-N 3.19Å |
| 200 | Y | 79.7 | Confident | 82 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 12% | 0.118 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70 | -44.9 | -175.6 | -179.9 | -103.9 | 0 | 0 | 0 | 110.1 | L33 Y35 K63 V195 S196 L197 P198 S202 C203 L204 E236 | L33-Y200 HydrophobicContact CD2-CE2 4.19Å; Y35-Y200 HydrophobicContact CD2-CD2 4.41Å; Y35-Y200 VanDerWaalsContact CE2-CA 3.48Å; Y35-Y200 HydrophobicContact CE2-CD2 4.39Å; K63-Y200 HydrophobicContact CD-CD1 4.35Å; K63-Y200 HydrophobicContact CD-CD2 3.73Å; K63-Y200 HydrophobicContact CD-CE1 3.9Å; K63-Y200 HydrophobicContact CD-CE2 3.22Å; K63-Y200 HydrophobicContact CD-CG 4.26Å; K63-Y200 HydrophobicContact CG-CE2 4.43Å; V195-Y200 HydrophobicContact CG1-CD2 4.43Å; V195-Y200 HydrophobicContact CG1-CG 4.08Å; S196-Y200 VanDerWaalsContact O-CB 3.27Å; S196-Y200 WeakPolarHBondContact O-CB 3.41Å; S196-Y200 PolarHBondContact O-N 2.99Å; L197-Y200 PolarHBondContact O-N 3.12Å; P198-Y200 VanDerWaalsContact C-N 3.28Å; P198-Y200 PolarHBondContact O-N 3.16Å; Y200-S202 PolarHBondContact O-N 3.32Å; Y200-C203 PolarHBondContact O-N 2.87Å; Y200-L204 HydrophobicContact CD1-CD1 3.66Å; Y200-L204 HydrophobicContact CD1-CG 4.28Å; Y200-L204 HydrophobicContact CE1-CD1 3.1Å; Y200-L204 HydrophobicContact CE1-CD2 4.41Å; Y200-L204 HydrophobicContact CE1-CG 3.83Å; Y200-L204 HydrophobicContact CE2-CD1 4.43Å; Y200-L204 HydrophobicContact CE2-CD2 4.48Å; Y200-L204 HydrophobicContact CE2-CG 4.3Å; Y200-L204 WeakPolarHBondContact O-CG 3.23Å; Y200-L204 PolarHBondContact O-N 2.86Å; Y200-E236 HydrophobicContact CD1-CG 4.47Å; Y200-E236 WeakPolarHBondContact CD1-OE1 3.22Å; Y200-E236 HydrophobicContact CE1-CG 4.44Å; Y200-E236 WeakPolarHBondContact CE1-OE1 3.47Å |
| 201 | L | 81.7 | Confident | 80.6 | Confident | 35 Ų | 35 | 67 Ų | 67 | 18% | 0.183 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 171.7 | -68.5 | 175.5 | 0 | 0 | 0 | 111.6 | L197 C203 L204 E205 V233 E236 | L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.37Å; L197-L201 PolarHBondContact O-N 2.91Å; L201-C203 VanDerWaalsContact C-N 3.32Å; L201-C203 PolarHBondContact O-N 2.91Å; L201-L204 PolarHBondContact O-N 3.39Å; L201-E205 WeakPolarHBondContact O-CG 3.47Å; L201-E205 PolarHBondContact O-N 3.07Å; L201-V233 HydrophobicContact CD2-CB 4.41Å; L201-V233 HydrophobicContact CD2-CG1 3.7Å; L201-E236 HydrophobicContact CD2-CG 4.32Å |
| 202 | S | 80.9 | Confident | 79.4 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 177.4 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | P198 E199 Y200 K206 | P198-S202 WeakPolarHBondContact O-CB 3.34Å; P198-S202 PolarHBondContact O-N 3.17Å; E199-S202 PolarHBondContact O-N 2.98Å; Y200-S202 PolarHBondContact O-N 3.32Å; S202-K206 WeakPolarHBondContact O-CG 3.47Å; S202-K206 PolarHBondContact O-N 2.88Å; S202-K206 VanDerWaalsContact O-N 3.12Å |
| 203 | C | 75.7 | Confident | 77.8 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 16% | 0.162 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 175.8 | -79 | 0 | 0 | 0 | 0 | 112.1 | L33 T34 Y35 E199 Y200 L201 R207 | L33-C203 HydrophobicContact CD1-CB 4.32Å; T34-C203 PolarHBondContact O-SG 3.15Å; T34-C203 VanDerWaalsContact O-SG 3.33Å; Y35-C203 HydrophobicContact CD2-CB 4.16Å; E199-C203 WeakPolarHBondContact O-CB 3.38Å; E199-C203 PolarHBondContact O-N 3.19Å; Y200-C203 PolarHBondContact O-N 2.87Å; L201-C203 VanDerWaalsContact C-N 3.32Å; L201-C203 PolarHBondContact O-N 2.91Å; C203-R207 PolarHBondContact O-N 2.91Å; C203-R207 VanDerWaalsContact O-N 3.14Å |
| 204 | L | 78.5 | Confident | 75.9 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 174.7 | -74.3 | 176.4 | 0 | 0 | 0 | 112 | Y200 L201 K206 R207 I208 V239 | Y200-L204 HydrophobicContact CD1-CD1 3.66Å; Y200-L204 HydrophobicContact CD1-CG 4.28Å; Y200-L204 HydrophobicContact CE1-CD1 3.1Å; Y200-L204 HydrophobicContact CE1-CD2 4.41Å; Y200-L204 HydrophobicContact CE1-CG 3.83Å; Y200-L204 HydrophobicContact CE2-CD1 4.43Å; Y200-L204 HydrophobicContact CE2-CD2 4.48Å; Y200-L204 HydrophobicContact CE2-CG 4.3Å; Y200-L204 WeakPolarHBondContact O-CG 3.23Å; Y200-L204 PolarHBondContact O-N 2.86Å; L201-L204 PolarHBondContact O-N 3.39Å; L204-K206 VanDerWaalsContact C-N 3.32Å; L204-K206 PolarHBondContact O-N 3.26Å; L204-R207 WeakPolarHBondContact O-CA 3.44Å; L204-R207 WeakPolarHBondContact O-CB 3.33Å; L204-R207 PolarHBondContact O-N 3.32Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.26Å; L204-V239 HydrophobicContact CD1-CB 4.35Å; L204-V239 HydrophobicContact CD1-CG1 3.96Å; L204-V239 HydrophobicContact CD1-CG2 4.13Å; L204-V239 HydrophobicContact CD2-CG1 4.26Å |
| 205 | E | 78.3 | Confident | 73.9 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 177.1 | -75.1 | -179.8 | 164.8 | 0 | 0 | 111.8 | L201 R207 I208 A209 V233 | L201-E205 WeakPolarHBondContact O-CG 3.47Å; L201-E205 PolarHBondContact O-N 3.07Å; E205-R207 VanDerWaalsContact C-N 3.28Å; E205-R207 PolarHBondContact O-N 3.33Å; E205-I208 PolarHBondContact O-N 3.03Å; E205-A209 VanDerWaalsContact O-CB 3.26Å; E205-A209 WeakPolarHBondContact O-CB 3.13Å; E205-A209 PolarHBondContact O-N 3.18Å; E205-V233 HydrophobicContact CG-CB 4.3Å; E205-V233 HydrophobicContact CG-CG2 3.95Å; E205-V233 PolarHBondContact OE1-N 2.83Å |
| 206 | K | 77.5 | Confident | 71.6 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 61% | 0.609 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.4 | -39.2 | 175.1 | -72.4 | 170.1 | -173 | 168.2 | 0 | 111.9 | S202 L204 L210 | S202-K206 WeakPolarHBondContact O-CG 3.47Å; S202-K206 PolarHBondContact O-N 2.88Å; S202-K206 VanDerWaalsContact O-N 3.12Å; L204-K206 VanDerWaalsContact C-N 3.32Å; L204-K206 PolarHBondContact O-N 3.26Å; K206-L210 WeakPolarHBondContact O-CB 3.38Å; K206-L210 PolarHBondContact O-N 2.61Å |
| 207 | R | 70 | Confident | 69.7 | Low | 57 Ų | 57 | 73.3 Ų | 73.3 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70 | -48.2 | 179.6 | -176.1 | 168.7 | -177.7 | -175.3 | 4.4 | 111.4 | S31 L33 C203 L204 E205 A209 L210 H211 | S31-R207 PolarHBondContact O-NH2 2.8Å; L33-R207 HydrophobicContact CD1-CB 4.01Å; L33-R207 HydrophobicContact CD1-CG 4.38Å; C203-R207 PolarHBondContact O-N 2.91Å; C203-R207 VanDerWaalsContact O-N 3.14Å; L204-R207 WeakPolarHBondContact O-CA 3.44Å; L204-R207 WeakPolarHBondContact O-CB 3.33Å; L204-R207 PolarHBondContact O-N 3.32Å; E205-R207 VanDerWaalsContact C-N 3.28Å; E205-R207 PolarHBondContact O-N 3.33Å; R207-A209 VanDerWaalsContact C-N 3.3Å; R207-A209 PolarHBondContact O-N 3.13Å; R207-L210 WeakPolarHBondContact O-CB 3.49Å; R207-L210 PolarHBondContact O-N 2.7Å; R207-L210 VanDerWaalsContact O-N 3.12Å; R207-H211 WeakPolarHBondContact CG-NE2 3.36Å; R207-H211 PolarHBondContact NE-NE2 2.81Å; R207-H211 PolarHBondContact O-CD2 3.19Å; R207-H211 PolarHBondContact O-N 3.45Å |
| 208 | I | 77.2 | Confident | 67.6 | Low | 50 Ų | 50 | 72.7 Ų | 72.7 | 26% | 0.256 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.5 | -48 | 174.6 | -65.5 | 167 | 0 | 0 | 0 | 109.3 | L204 E205 L210 H211 C212 V233 V239 | L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.26Å; E205-I208 PolarHBondContact O-N 3.03Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 3.43Å; I208-H211 PolarHBondContact O-N 2.98Å; I208-C212 PolarHBondContact O-N 3.49Å; I208-C212 PolarHBondContact O-SG 3.18Å; I208-V233 HydrophobicContact CD1-CG2 4.19Å; I208-V239 HydrophobicContact CD1-CG1 4.4Å |
| 209 | A | 74.9 | Confident | 65.4 | Low | 28 Ų | 28 | 71.7 Ų | 71.7 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.7 | -35 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E205 R207 K213 | E205-A209 VanDerWaalsContact O-CB 3.26Å; E205-A209 WeakPolarHBondContact O-CB 3.13Å; E205-A209 PolarHBondContact O-N 3.18Å; R207-A209 VanDerWaalsContact C-N 3.3Å; R207-A209 PolarHBondContact O-N 3.13Å; A209-K213 VanDerWaalsContact O-CG 3.26Å; A209-K213 WeakPolarHBondContact O-CG 3.28Å; A209-K213 PolarHBondContact O-N 3.45Å; A209-K213 VanDerWaalsContact O-N 3.13Å |
| 210 | L | 72.6 | Confident | 63.4 | Low | 124 Ų | 124 | 69.9 Ų | 69.9 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.2 | -42.9 | 175.2 | -173.2 | 69.3 | 0 | 0 | 0 | 111.4 | K206 R207 I208 K213 G214 | K206-L210 WeakPolarHBondContact O-CB 3.38Å; K206-L210 PolarHBondContact O-N 2.61Å; R207-L210 WeakPolarHBondContact O-CB 3.49Å; R207-L210 PolarHBondContact O-N 2.7Å; R207-L210 VanDerWaalsContact O-N 3.12Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 3.43Å; L210-K213 PolarHBondContact O-N 3.22Å; L210-G214 PolarHBondContact O-N 3.11Å |
| 211 | H | 66 | Low | 61.3 | Low | 79 Ų | 79 | 75 Ų | 75 | 37% | 0.366 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 175.6 | -70 | -66.9 | 0 | 0 | 0 | 111.3 | R207 I208 K213 G214 I215 | R207-H211 WeakPolarHBondContact CG-NE2 3.36Å; R207-H211 PolarHBondContact NE-NE2 2.81Å; R207-H211 PolarHBondContact O-CD2 3.19Å; R207-H211 PolarHBondContact O-N 3.45Å; I208-H211 PolarHBondContact O-N 2.98Å; H211-K213 VanDerWaalsContact C-N 3.3Å; H211-K213 PolarHBondContact O-N 2.83Å; H211-G214 PolarHBondContact O-N 2.82Å; H211-I215 WeakPolarHBondContact O-CG1 3.46Å; H211-I215 PolarHBondContact O-N 3.48Å |
| 212 | C | 67.4 | Low | 59 | Low | 16 Ų | 16 | 78.8 Ų | 78.8 | 11% | 0.108 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -57.2 | -40 | 175.6 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | I208 G214 I215 C228 | I208-C212 PolarHBondContact O-N 3.49Å; I208-C212 PolarHBondContact O-SG 3.18Å; C212-G214 PolarHBondContact O-N 3.1Å; C212-I215 PolarHBondContact O-N 3.35Å; C212-C228 HydrophobicContact CB-CB 3.88Å; C212-C228 WeakPolarHBondContact CB-SG 3.42Å; C212-C228 WeakPolarHBondContact SG-CB 3.13Å; C212-C228 CovalentContact SG-SG 2.05Å; C212-C228 PolarHBondContact SG-SG 2.99Å |
| 213 | K | 61.9 | Low | 56.8 | Low | 146 Ų | 146 | 82.9 Ų | 82.9 | 64% | 0.635 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.3 | -25.3 | 178.1 | -76.3 | 174.3 | -177.4 | -179.4 | 0 | 113.1 | A209 L210 H211 I215 | A209-K213 VanDerWaalsContact O-CG 3.26Å; A209-K213 WeakPolarHBondContact O-CG 3.28Å; A209-K213 PolarHBondContact O-N 3.45Å; A209-K213 VanDerWaalsContact O-N 3.13Å; L210-K213 PolarHBondContact O-N 3.22Å; H211-K213 VanDerWaalsContact C-N 3.3Å; H211-K213 PolarHBondContact O-N 2.83Å; K213-I215 VanDerWaalsContact C-N 3.34Å |
| 214 | G | 50.3 | Low | 55 | Low | 65 Ų | 65 | 86 Ų | 86 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -80.3 | -14.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L210 H211 C212 A216 | L210-G214 PolarHBondContact O-N 3.11Å; H211-G214 PolarHBondContact O-N 2.82Å; C212-G214 PolarHBondContact O-N 3.1Å; G214-A216 VanDerWaalsContact C-N 3.34Å; G214-A216 PolarHBondContact O-N 3.01Å |
| 215 | I | 48 | Very low | 53.3 | Low | 103 Ų | 103 | 88.7 Ų | 88.7 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | trans | -84 | 81.8 | 177.9 | -59.2 | 168 | 0 | 0 | 0 | 108.1 | H211 C212 K213 I217 | H211-I215 WeakPolarHBondContact O-CG1 3.46Å; H211-I215 PolarHBondContact O-N 3.48Å; C212-I215 PolarHBondContact O-N 3.35Å; K213-I215 VanDerWaalsContact C-N 3.34Å; I215-I217 HydrophobicContact CG2-CG1 4.36Å; I215-I217 PolarHBondContact O-N 2.8Å | ||
| 216 | A | 38.3 | Very low | 51.4 | Low | 91 Ų | 91 | 87.2 Ų | 87.2 | 75% | 0.752 | 53% | 0.529 | S | S | * | . | trans | -69.2 | 107.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | G214 A218 | G214-A216 VanDerWaalsContact C-N 3.34Å; G214-A216 PolarHBondContact O-N 3.01Å; A216-A218 PolarHBondContact O-N 2.83Å | ||
| 217 | I | 42.2 | Very low | 49.7 | Very low | 108 Ų | 108 | 83.3 Ų | 83.3 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | trans | -66.9 | 98.5 | 172.5 | -49.3 | 173.2 | 0 | 0 | 0 | 106.9 | I215 G219 V220 | I215-I217 HydrophobicContact CG2-CG1 4.36Å; I215-I217 PolarHBondContact O-N 2.8Å; I217-G219 PolarHBondContact O-N 2.9Å; I217-V220 HydrophobicContact CB-CG2 4.17Å; I217-V220 HydrophobicContact CG2-CG2 3.9Å; I217-V220 PolarHBondContact O-N 2.75Å | ||
| 218 | A | 34.1 | Very low | 48.3 | Very low | 90 Ų | 90 | 81.5 Ų | 81.5 | 74% | 0.744 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 96.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A216 | A216-A218 PolarHBondContact O-N 2.83Š|
| 219 | G | 38.3 | Very low | 46.4 | Very low | 76 Ų | 76 | 86.1 Ų | 86.1 | 78% | 0.784 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 143.3 | -9.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I217 | I217-G219 PolarHBondContact O-N 2.9Š|
| 220 | V | 38.3 | Very low | 44.6 | Very low | 73 Ų | 73 | 88.2 Ų | 88.2 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | trans | -104.8 | 109.8 | 175.4 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | I217 D222 V224 | I217-V220 HydrophobicContact CB-CG2 4.17Å; I217-V220 HydrophobicContact CG2-CG2 3.9Å; I217-V220 PolarHBondContact O-N 2.75Å; V220-D222 HydrophobicContact CG1-CB 4.47Å; V220-D222 PolarHBondContact O-N 2.82Å; V220-V224 HydrophobicContact CG1-CG2 3.92Å | ||
| 221 | T | 35.7 | Very low | 43.1 | Very low | 138 Ų | 138 | 85.5 Ų | 85.5 | 85% | 0.847 | 55% | 0.545 | S | S | * | . | trans | -80.8 | 3.6 | 180 | 44.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 222 | D | 32.7 | Very low | 42 | Very low | 114 Ų | 114 | 89.5 Ų | 89.5 | 61% | 0.61 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -109.6 | 137.5 | 178.5 | -61.1 | -39.4 | 0 | 0 | 0 | 110.1 | V220 V224 | V220-D222 HydrophobicContact CG1-CB 4.47Å; V220-D222 PolarHBondContact O-N 2.82Å; D222-V224 PolarHBondContact O-N 2.84Å |
| 223 | P | 35.1 | Very low | 40.9 | Very low | 131 Ų | 131 | 89.5 Ų | 89.5 | 85% | 0.851 | 56% | 0.561 | S | S | * | * | trans | -70 | 83.8 | 174.8 | 30.4 | -32.4 | 0 | 0 | 0 | 108.3 | S225 | P223-S225 PolarHBondContact O-N 3.06Š| ||
| 224 | V | 38.5 | Very low | 39.9 | Very low | 89 Ų | 89 | 89.9 Ų | 89.9 | 54% | 0.539 | 56% | 0.558 | S | S | . | * | trans | -62.9 | 114.6 | 170.5 | 179.9 | 0 | 0 | 0 | 0 | 106.6 | V220 D222 N226 | V220-V224 HydrophobicContact CG1-CG2 3.92Å; D222-V224 PolarHBondContact O-N 2.84Å; V224-N226 PolarHBondContact O-N 2.8Å | ||
| 225 | S | 41.7 | Very low | 39.5 | Very low | 68 Ų | 68 | 89.6 Ų | 89.6 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | trans | -46.3 | 111 | 172 | 45.3 | 0 | 0 | 0 | 0 | 109.8 | P223 | P223-S225 PolarHBondContact O-N 3.06Š| ||
| 226 | N | 39.1 | Very low | 39.4 | Very low | 45 Ų | 45 | 86.4 Ų | 86.4 | 24% | 0.241 | 52% | 0.524 | C | S | . | . | trans | 11.9 | 93.8 | 171.1 | -164.2 | 30.8 | 0 | 0 | 0 | 114 | V224 C228 K229 | V224-N226 PolarHBondContact O-N 2.8Å; N226-C228 PolarHBondContact O-N 2.95Å; N226-K229 HydrophobicContact CB-CD 4.48Å; N226-K229 HydrophobicContact CB-CG 4.2Å; N226-K229 WeakPolarHBondContact O-CB 3.35Å; N226-K229 PolarHBondContact O-N 3.5Å | ||
| 227 | P | 40.8 | Very low | 39.7 | Very low | 59 Ų | 59 | 91.3 Ų | 91.3 | 38% | 0.383 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -9.9 | -169.2 | 22.8 | -33.8 | 0 | 0 | 0 | 114.4 | ||
| 228 | C | 40.9 | Very low | 39.5 | Very low | 18 Ų | 18 | 88.7 Ų | 88.7 | 12% | 0.122 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 8.4 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | C212 N226 G230 | C212-C228 HydrophobicContact CB-CB 3.88Å; C212-C228 WeakPolarHBondContact CB-SG 3.42Å; C212-C228 WeakPolarHBondContact SG-CB 3.13Å; C212-C228 CovalentContact SG-SG 2.05Å; C212-C228 PolarHBondContact SG-SG 2.99Å; N226-C228 PolarHBondContact O-N 2.95Å; C228-G230 PolarHBondContact O-N 2.88Å |
| 229 | K | 37.3 | Very low | 39.9 | Very low | 147 Ų | 147 | 84.7 Ų | 84.7 | 64% | 0.639 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 88.8 | 168.8 | -87.7 | -176.7 | 176.2 | -175.6 | 0 | 109.9 | N226 | N226-K229 HydrophobicContact CB-CD 4.48Å; N226-K229 HydrophobicContact CB-CG 4.2Å; N226-K229 WeakPolarHBondContact O-CB 3.35Å; N226-K229 PolarHBondContact O-N 3.5Å |
| 230 | G | 38 | Very low | 39.9 | Very low | 73 Ų | 73 | 85 Ų | 85 | 75% | 0.753 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 143 | -12.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C228 K232 | C228-G230 PolarHBondContact O-N 2.88Å; G230-K232 PolarHBondContact O-N 2.83Å; G230-K232 VanDerWaalsContact O-N 3.1Å |
| 231 | V | 41.2 | Very low | 39.5 | Very low | 66 Ų | 66 | 86.1 Ų | 86.1 | 40% | 0.4 | 46% | 0.458 | S | S | . | . | trans | -74.8 | 103.3 | 176.7 | -175 | 0 | 0 | 0 | 0 | 108.9 | V233 M253 | V231-V233 HydrophobicContact CG1-CG2 4.5Å; V231-M253 HydrophobicContact CG2-CE 4.13Å | ||
| 232 | K | 41.5 | Very low | 39.3 | Very low | 164 Ų | 164 | 83.9 Ų | 83.9 | 71% | 0.713 | 44% | 0.44 | S | S | * | . | trans | -90 | 113.7 | 165.8 | -76.4 | -174.8 | 175.9 | -179.7 | 0 | 108.2 | G230 R234 | G230-K232 PolarHBondContact O-N 2.83Å; G230-K232 VanDerWaalsContact O-N 3.1Å; K232-R234 PolarHBondContact O-N 3.17Å; K232-R234 VanDerWaalsContact O-N 3.1Å | ||
| 233 | V | 45.6 | Very low | 39.4 | Very low | 15 Ų | 15 | 80.9 Ų | 80.9 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | trans | -75.5 | 101.7 | 174 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | L201 E205 I208 V231 V239 | L201-V233 HydrophobicContact CD2-CB 4.41Å; L201-V233 HydrophobicContact CD2-CG1 3.7Å; E205-V233 HydrophobicContact CG-CB 4.3Å; E205-V233 HydrophobicContact CG-CG2 3.95Å; E205-V233 PolarHBondContact OE1-N 2.83Å; I208-V233 HydrophobicContact CD1-CG2 4.19Å; V231-V233 HydrophobicContact CG1-CG2 4.5Å; V233-V239 HydrophobicContact CB-CG2 4.41Å; V233-V239 HydrophobicContact CG1-CG2 3.23Å; V233-V239 HydrophobicContact CG2-CG2 4.3Å | ||
| 234 | R | 40.5 | Very low | 39.4 | Very low | 154 Ų | 154 | 79 Ų | 79 | 58% | 0.581 | 41% | 0.406 | S | S | * | . | trans | -88.9 | -17.5 | 178.4 | -69.6 | -173.9 | -176.8 | 174.8 | 1.5 | 113.4 | K232 D261 | K232-R234 PolarHBondContact O-N 3.17Å; K232-R234 VanDerWaalsContact O-N 3.1Å; R234-D261 IonicContact NH1-OD1 3.7Å | ||
| 235 | D | 41.7 | Very low | 38.9 | Very low | 60 Ų | 60 | 81.7 Ų | 81.7 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | trans | -146.3 | 139.8 | -174.4 | -158.4 | -22.8 | 0 | 0 | 0 | 111.3 | R237 L238 | D235-R237 PolarHBondContact O-N 2.98Å; D235-R237 PolarHBondContact OD1-N 3.1Å; D235-L238 HydrophobicContact CB-CD1 4.13Å; D235-L238 HydrophobicContact CB-CG 4.33Å; D235-L238 PolarHBondContact O-N 3.45Å | ||
| 236 | E | 46.4 | Very low | 38.4 | Very low | 36 Ų | 36 | 82.2 Ų | 82.2 | 17% | 0.168 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.8 | -29.9 | 178.1 | -68.2 | -165.3 | 162.5 | 0 | 0 | 111.6 | K63 N167 L197 Y200 L201 L238 V239 H240 | K63-E236 IonicContact NZ-OE1 3.74Å; K63-E236 PolarHBondContact NZ-OE1 3.22Å; K63-E236 IonicContact NZ-OE2 2.82Å; K63-E236 PolarHBondContact NZ-OE2 2.88Å; N167-E236 PolarHBondContact ND2-OE2 3.24Å; L197-E236 WeakPolarHBondContact CD2-OE1 3.43Å; Y200-E236 HydrophobicContact CD1-CG 4.47Å; Y200-E236 WeakPolarHBondContact CD1-OE1 3.22Å; Y200-E236 HydrophobicContact CE1-CG 4.44Å; Y200-E236 WeakPolarHBondContact CE1-OE1 3.47Å; L201-E236 HydrophobicContact CD2-CG 4.32Å; E236-L238 VanDerWaalsContact C-N 3.3Å; E236-L238 PolarHBondContact O-N 3.25Å; E236-V239 WeakPolarHBondContact O-CB 3.44Å; E236-V239 PolarHBondContact O-N 3.33Å; E236-V239 VanDerWaalsContact O-N 3.07Å; E236-H240 PolarHBondContact O-N 3.02Å; E236-H240 VanDerWaalsContact O-N 3.14Å |
| 237 | R | 43.9 | Very low | 38.1 | Very low | 194 Ų | 194 | 86.3 Ų | 86.3 | 73% | 0.732 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.9 | -41 | 178.9 | -65 | -178.4 | -173.6 | -176.9 | 2.8 | 111.7 | D235 V239 H240 E241 | D235-R237 PolarHBondContact O-N 2.98Å; D235-R237 PolarHBondContact OD1-N 3.1Å; R237-V239 PolarHBondContact O-N 2.9Å; R237-H240 PolarHBondContact O-N 3.37Å; R237-E241 WeakPolarHBondContact O-CB 3.28Å; R237-E241 PolarHBondContact O-N 2.89Å |
| 238 | L | 37.6 | Very low | 37.9 | Very low | 53 Ų | 53 | 89.8 Ų | 89.8 | 28% | 0.277 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63 | -30.2 | 176.9 | -69.5 | 168.8 | 0 | 0 | 0 | 111.9 | D235 E236 L242 | D235-L238 HydrophobicContact CB-CD1 4.13Å; D235-L238 HydrophobicContact CB-CG 4.33Å; D235-L238 PolarHBondContact O-N 3.45Å; E236-L238 VanDerWaalsContact C-N 3.3Å; E236-L238 PolarHBondContact O-N 3.25Å; L238-L242 VanDerWaalsContact O-CB 3.22Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 VanDerWaalsContact O-CD1 3.31Å; L238-L242 WeakPolarHBondContact O-CD1 3.44Å; L238-L242 VanDerWaalsContact O-CG 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 3.07Å |
| 239 | V | 43.5 | Very low | 37.4 | Very low | 6 Ų | 6 | 92.4 Ų | 92.4 | 4% | 0.036 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -74.3 | -42.9 | 177.4 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | L204 I208 V233 E236 R237 E241 L242 L243 | L204-V239 HydrophobicContact CD1-CB 4.35Å; L204-V239 HydrophobicContact CD1-CG1 3.96Å; L204-V239 HydrophobicContact CD1-CG2 4.13Å; L204-V239 HydrophobicContact CD2-CG1 4.26Å; I208-V239 HydrophobicContact CD1-CG1 4.4Å; V233-V239 HydrophobicContact CB-CG2 4.41Å; V233-V239 HydrophobicContact CG1-CG2 3.23Å; V233-V239 HydrophobicContact CG2-CG2 4.3Å; E236-V239 WeakPolarHBondContact O-CB 3.44Å; E236-V239 PolarHBondContact O-N 3.33Å; E236-V239 VanDerWaalsContact O-N 3.07Å; R237-V239 PolarHBondContact O-N 2.9Å; V239-E241 VanDerWaalsContact C-N 3.31Å; V239-L242 PolarHBondContact O-N 3.25Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 WeakPolarHBondContact O-CB 3.49Å; V239-L243 WeakPolarHBondContact O-CD1 3.35Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 3.27Å |
| 240 | H | 37.8 | Very low | 37 | Very low | 82 Ų | 82 | 87.9 Ų | 87.9 | 38% | 0.38 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 171.6 | -101.4 | -96.3 | 0 | 0 | 0 | 111.2 | F121 E236 R237 L243 I244 | F121-H240 VanDerWaalsContact CB-CE1 3.49Å; F121-H240 WeakPolarHBondContact CB-CE1 3.45Å; E236-H240 PolarHBondContact O-N 3.02Å; E236-H240 VanDerWaalsContact O-N 3.14Å; R237-H240 PolarHBondContact O-N 3.37Å; H240-L243 PolarHBondContact O-N 3.41Å; H240-I244 WeakPolarHBondContact O-CB 3.42Å; H240-I244 WeakPolarHBondContact O-CD1 3.35Å; H240-I244 WeakPolarHBondContact O-CG1 3.48Å; H240-I244 PolarHBondContact O-N 2.8Å |
| 241 | E | 30.4 | Very low | 36.6 | Very low | 97 Ų | 97 | 89 Ų | 89 | 45% | 0.453 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.3 | -47.3 | 178.3 | -155.7 | 169.4 | -170.2 | 0 | 0 | 111 | R237 V239 L243 I244 W245 | R237-E241 WeakPolarHBondContact O-CB 3.28Å; R237-E241 PolarHBondContact O-N 2.89Å; V239-E241 VanDerWaalsContact C-N 3.31Å; E241-L243 VanDerWaalsContact C-N 3.32Å; E241-L243 PolarHBondContact O-N 3.01Å; E241-I244 PolarHBondContact O-N 3.09Å; E241-I244 VanDerWaalsContact O-N 3.11Å; E241-W245 PolarHBondContact O-N 3.24Å |
| 242 | L | 31.8 | Very low | 36.2 | Very low | 90 Ų | 90 | 92.2 Ų | 92.2 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56 | -43.4 | 172.9 | -83.8 | 156.7 | 0 | 0 | 0 | 112.5 | L238 V239 W245 E246 | L238-L242 VanDerWaalsContact O-CB 3.22Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 VanDerWaalsContact O-CD1 3.31Å; L238-L242 WeakPolarHBondContact O-CD1 3.44Å; L238-L242 VanDerWaalsContact O-CG 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 3.07Å; V239-L242 PolarHBondContact O-N 3.25Å; L242-W245 PolarHBondContact O-N 2.83Å; L242-E246 PolarHBondContact O-N 2.87Å; L242-E246 VanDerWaalsContact O-N 3.08Å |
| 243 | L | 34.2 | Very low | 35.6 | Very low | 52 Ų | 52 | 88.4 Ų | 88.4 | 27% | 0.272 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 177.1 | -73.5 | 165.2 | 0 | 0 | 0 | 112.4 | F28 V239 H240 E241 H247 | F28-L243 HydrophobicContact CE1-CD2 4.44Å; F28-L243 HydrophobicContact CZ-CD2 4.07Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 WeakPolarHBondContact O-CB 3.49Å; V239-L243 WeakPolarHBondContact O-CD1 3.35Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 3.27Å; H240-L243 PolarHBondContact O-N 3.41Å; E241-L243 VanDerWaalsContact C-N 3.32Å; E241-L243 PolarHBondContact O-N 3.01Å; L243-H247 PolarHBondContact O-N 2.78Å |
| 244 | I | 34.7 | Very low | 34.9 | Very low | 92 Ų | 92 | 91.9 Ų | 91.9 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 174.8 | -69.5 | 161.4 | 0 | 0 | 0 | 110.7 | H240 E241 H247 N248 | H240-I244 WeakPolarHBondContact O-CB 3.42Å; H240-I244 WeakPolarHBondContact O-CD1 3.35Å; H240-I244 WeakPolarHBondContact O-CG1 3.48Å; H240-I244 PolarHBondContact O-N 2.8Å; E241-I244 PolarHBondContact O-N 3.09Å; E241-I244 VanDerWaalsContact O-N 3.11Å; I244-H247 WeakPolarHBondContact O-CB 3.32Å; I244-H247 PolarHBondContact O-N 2.98Å; I244-N248 PolarHBondContact O-N 2.97Å |
| 245 | W | 28.6 | Very low | 34.3 | Very low | 145 Ų | 145 | 88.6 Ų | 88.6 | 55% | 0.549 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 179.5 | -78.2 | 57.1 | 0 | 0 | 0 | 112.4 | E241 L242 N248 G249 | E241-W245 PolarHBondContact O-N 3.24Å; L242-W245 PolarHBondContact O-N 2.83Å; W245-N248 PolarHBondContact O-N 3.02Å; W245-G249 PolarHBondContact O-N 2.95Å |
| 246 | E | 30.4 | Very low | 33.6 | Very low | 78 Ų | 78 | 92.1 Ų | 92.1 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 171.5 | -76.1 | -172.6 | 165.9 | 0 | 0 | 112.6 | L242 N248 G249 V251 | L242-E246 PolarHBondContact O-N 2.87Å; L242-E246 VanDerWaalsContact O-N 3.08Å; E246-N248 PolarHBondContact O-N 3.14Å; E246-G249 PolarHBondContact O-N 2.92Å; E246-V251 HydrophobicContact CG-CG2 4.08Å |
| 247 | H | 33.7 | Very low | 32.8 | Very low | 132 Ų | 132 | 97.9 Ų | 97.9 | 61% | 0.611 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -26.3 | 175.2 | -102.4 | -75.5 | 0 | 0 | 0 | 113.2 | L243 I244 | L243-H247 PolarHBondContact O-N 2.78Å; I244-H247 WeakPolarHBondContact O-CB 3.32Å; I244-H247 PolarHBondContact O-N 2.98Å |
| 248 | N | 35.9 | Very low | 32 | Very low | 132 Ų | 132 | 91.5 Ų | 91.5 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 8.6 | 178.7 | -69.8 | -24 | 0 | 0 | 0 | 114 | I244 W245 E246 A250 | I244-N248 PolarHBondContact O-N 2.97Å; W245-N248 PolarHBondContact O-N 3.02Å; E246-N248 PolarHBondContact O-N 3.14Å; N248-A250 VanDerWaalsContact C-N 3.32Å; N248-A250 PolarHBondContact O-N 3.47Å |
| 249 | G | 30 | Very low | 31.5 | Very low | 73 Ų | 73 | 93.6 Ų | 93.6 | 75% | 0.753 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 16 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | W245 E246 | W245-G249 PolarHBondContact O-N 2.95Å; E246-G249 PolarHBondContact O-N 2.92Å |
| 250 | A | 28.6 | Very low | 30.8 | Very low | 51 Ų | 51 | 98.2 Ų | 98.2 | 42% | 0.421 | 55% | 0.553 | S | S | . | * | trans | -121.3 | 101.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N248 | N248-A250 VanDerWaalsContact C-N 3.32Å; N248-A250 PolarHBondContact O-N 3.47Å | ||
| 251 | V | 31.3 | Very low | 30.2 | Very low | 96 Ų | 96 | 100.5 Ų | 100.5 | 58% | 0.582 | 57% | 0.568 | S | S | * | * | trans | -103.9 | 102.9 | 169.2 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | E246 M253 | E246-V251 HydrophobicContact CG-CG2 4.08Å; V251-M253 HydrophobicContact CG1-CG 3.92Å | ||
| 252 | V | 31.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 101.2 Ų | 101.2 | 81% | 0.812 | 58% | 0.575 | S | S | * | * | trans | -110.1 | 101.3 | 163.9 | -178.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 253 | M | 30 | Very low | 29.9 | Very low | 85 Ų | 85 | 102.2 Ų | 102.2 | 42% | 0.419 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 134 | 174.1 | -72.3 | -161.8 | 68.1 | 0 | 0 | 109.7 | V231 V251 | V231-M253 HydrophobicContact CG2-CE 4.13Å; V251-M253 HydrophobicContact CG1-CG 3.92Å |
| 254 | P | 29.9 | Very low | 29.6 | Very low | 88 Ų | 88 | 109.1 Ų | 109.1 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 141.6 | 170.2 | 27.8 | -31.9 | 0 | 0 | 0 | 109.9 | A258 | P254-A258 HydrophobicContact CB-CB 3.64Å; P254-A258 HydrophobicContact CG-CB 4.15Å |
| 255 | A | 27.4 | Very low | 29.4 | Very low | 85 Ų | 85 | 111.4 Ų | 111.4 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 153.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | N257 A258 | A255-N257 PolarHBondContact O-N 2.68Å; A255-A258 PolarHBondContact O-N 3.08Å |
| 256 | E | 27.5 | Very low | 29.4 | Very low | 133 Ų | 133 | 109.3 Ų | 109.3 | 62% | 0.621 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.3 | 114.5 | 175 | -71.7 | 178.9 | 147.8 | 0 | 0 | 110 | ||
| 257 | N | 29.1 | Very low | 29.4 | Very low | 157 Ų | 157 | 113.7 Ų | 113.7 | 84% | 0.84 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.8 | 13.5 | 179.7 | -53 | -38.6 | 0 | 0 | 0 | 119.1 | A255 V259 | A255-N257 PolarHBondContact O-N 2.68Å; N257-V259 PolarHBondContact O-N 3.4Å |
| 258 | A | 27.3 | Very low | 29.3 | Very low | 61 Ų | 61 | 113.1 Ų | 113.1 | 50% | 0.504 | 67% | 0.666 | S | S | . | * | trans | -69.3 | 97.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P254 A255 I260 | P254-A258 HydrophobicContact CB-CB 3.64Å; P254-A258 HydrophobicContact CG-CB 4.15Å; A255-A258 PolarHBondContact O-N 3.08Å; A258-I260 PolarHBondContact O-N 2.79Å | ||
| 259 | V | 27.5 | Very low | 28.9 | Very low | 96 Ų | 96 | 115 Ų | 115 | 58% | 0.582 | 68% | 0.676 | S | S | * | * | trans | -79.5 | 106.3 | 162.8 | -179.1 | 0 | 0 | 0 | 0 | 107 | N257 D261 | N257-V259 PolarHBondContact O-N 3.4Å; V259-D261 WeakPolarHBondContact CG1-OD1 3.3Å; V259-D261 PolarHBondContact O-N 3.24Å | ||
| 260 | I | 28.1 | Very low | 28.9 | Very low | 104 Ų | 104 | 116 Ų | 116 | 53% | 0.533 | 66% | 0.664 | S | S | . | * | trans | -80 | 96.1 | 165.5 | -55.6 | 175.5 | 0 | 0 | 0 | 106.2 | A258 L262 | A258-I260 PolarHBondContact O-N 2.79Å; I260-L262 HydrophobicContact CG2-CG 4.31Å; I260-L262 PolarHBondContact O-N 3.12Å | ||
| 261 | D | 26.1 | Very low | 29 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | trans | -77.8 | 109.1 | 169.2 | -83.2 | -27.8 | 0 | 0 | 0 | 108.8 | R234 V259 | R234-D261 IonicContact NH1-OD1 3.7Å; V259-D261 WeakPolarHBondContact CG1-OD1 3.3Å; V259-D261 PolarHBondContact O-N 3.24Å | ||
| 262 | L | 28.4 | Very low | 29 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 59% | 0.586 | 69% | 0.691 | S | S | * | * | trans | -93 | 142.3 | 166 | -73.7 | 165.2 | 0 | 0 | 0 | 108.7 | I260 K264 | I260-L262 HydrophobicContact CG2-CG 4.31Å; I260-L262 PolarHBondContact O-N 3.12Å; L262-K264 PolarHBondContact O-N 3.01Å | ||
| 263 | P | 27.5 | Very low | 28.8 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 69% | 0.688 | S | S | * | * | trans | -58.5 | 135.8 | -177.3 | 23.5 | -32.2 | 0 | 0 | 0 | 110.6 | T265 | P263-T265 PolarHBondContact O-N 3.21Š| ||
| 264 | K | 27.3 | Very low | 28.7 | Very low | 198 Ų | 198 | 129.6 Ų | 129.6 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | trans | -61.2 | 108.9 | 174.1 | -70.1 | 178.1 | -179.5 | 175.3 | 0 | 108.9 | L262 S266 | L262-K264 PolarHBondContact O-N 3.01Å; K264-S266 PolarHBondContact O-N 3.27Å | ||
| 265 | T | 30.4 | Very low | 28.5 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -76.4 | 69.8 | 170.2 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | P263 | P263-T265 PolarHBondContact O-N 3.21Š| ||
| 266 | S | 29.9 | Very low | 28.3 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | -103 | 0.8 | 168.4 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | K264 | K264-S266 PolarHBondContact O-N 3.27Š| ||
| 267 | E | 29.5 | Very low | 28.3 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -141.6 | 109.1 | 175 | -65.9 | -179.9 | 174 | 0 | 0 | 107.1 | ||
| 268 | V | 30.7 | Very low | 28.2 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | trans | 156.6 | 97.4 | 154.1 | 169.5 | 0 | 0 | 0 | 0 | 107.7 | D270 | V268-D270 PolarHBondContact O-N 3.05Å; V268-D270 VanDerWaalsContact O-N 3.08Å | ||
| 269 | N | 28.7 | Very low | 28.2 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 91% | 0.914 | 73% | 0.727 | S | S | * | * | trans | -75.4 | 72.5 | 166.2 | -78.4 | -27.8 | 0 | 0 | 0 | 109.3 | ||||
| 270 | D | 29.2 | Very low | 28.2 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 50% | 0.497 | 73% | 0.734 | S | S | . | * | trans | -172 | 115.6 | 157.7 | -121.8 | -32 | 0 | 0 | 0 | 112 | V268 F272 | V268-D270 PolarHBondContact O-N 3.05Å; V268-D270 VanDerWaalsContact O-N 3.08Å; D270-F272 PolarHBondContact O-N 3.2Å | ||
| 271 | P | 31 | Very low | 28.1 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 1.3 | 179.8 | 28 | -31.1 | 0 | 0 | 0 | 114.5 | ||
| 272 | F | 31.7 | Very low | 28.2 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 1.6 | -175.8 | -75.8 | -81.1 | 0 | 0 | 0 | 115.6 | D270 | D270-F272 PolarHBondContact O-N 3.2Š|
| 273 | R | 26.8 | Very low | 28.2 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -106.4 | 7.1 | -169.1 | -118.9 | -178.3 | -180 | -169.5 | 0.4 | 117.6 | A275 | R273-A275 PolarHBondContact O-N 3.45Š| ||
| 274 | I | 29 | Very low | 28.1 | Very low | 149 Ų | 149 | 145 Ų | 145 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -85.9 | -6.7 | -166.5 | -62.2 | 174.8 | 0 | 0 | 0 | 114.2 | S276 | I274-S276 PolarHBondContact O-N 3.07Š| ||
| 275 | A | 25.8 | Very low | 28.1 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -99.4 | 59.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R273 | R273-A275 PolarHBondContact O-N 3.45Š|
| 276 | S | 23.7 | Very low | 27.8 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 51% | 0.51 | 76% | 0.762 | S | S | . | * | trans | -179.3 | 97.6 | 155.8 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | I274 | I274-S276 PolarHBondContact O-N 3.07Š| ||
| 277 | W | 26.4 | Very low | 27.7 | Very low | 247 Ų | 247 | 142.6 Ų | 142.6 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | trans | -135.2 | 110.8 | 161.1 | -91.3 | 85.9 | 0 | 0 | 0 | 109.9 | ||||
| 278 | Q | 28 | Very low | 27.4 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | trans | -73 | 136.9 | 169.7 | -70.2 | 169.2 | -79.8 | 0 | 0 | 109 | E280 | Q278-E280 PolarHBondContact O-N 2.85Š| ||
| 279 | T | 26.3 | Very low | 27.1 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -76.8 | 100.6 | 172.3 | 45.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 280 | E | 27.2 | Very low | 27.1 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | trans | -122.4 | 120.6 | 164.3 | -79 | -174.7 | -178.9 | 0 | 0 | 109.9 | Q278 | Q278-E280 PolarHBondContact O-N 2.85Š| ||
| 281 | N | 25.7 | Very low | 27 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | 63.4 | 95.3 | 147.1 | -58.8 | -32.5 | 0 | 0 | 0 | 119.6 | ||||
| 282 | S | 29.1 | Very low | 27 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | -152.7 | 127 | 138.9 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 283 | S | 29.2 | Very low | 26.7 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -107.2 | 139.2 | -161.9 | 20 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 284 | F | 23.8 | Very low | 26.9 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 62.1 | 161.7 | 147.9 | -76.8 | -73.4 | 0 | 0 | 0 | 120.4 | L286 | F284-L286 HydrophobicContact CD1-CD1 4.17Å; F284-L286 HydrophobicContact CD1-CG 4.47Å; F284-L286 HydrophobicContact CE1-CD1 4.11Å; F284-L286 HydrophobicContact CE1-CG 4.42Å | ||
| 285 | P | 27.9 | Very low | 26.9 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | cis | -135.6 | 169.2 | 26.3 | 37.9 | -16.1 | 0 | 0 | 0 | 119.7 | ||||
| 286 | L | 23.7 | Very low | 27.1 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -62.6 | 151.7 | -176.6 | -73.7 | 123.8 | 0 | 0 | 0 | 117.7 | F284 | F284-L286 HydrophobicContact CD1-CD1 4.17Å; F284-L286 HydrophobicContact CD1-CG 4.47Å; F284-L286 HydrophobicContact CE1-CD1 4.11Å; F284-L286 HydrophobicContact CE1-CG 4.42Å | ||
| 287 | A | 27.4 | Very low | 27.4 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -149.5 | 142.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 288 | Q | 24.2 | Very low | 27.4 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -65.8 | 150.6 | -158.7 | -67.5 | 154.5 | -35.5 | 0 | 0 | 117.9 | ||||
| 289 | C | 24.7 | Very low | 27.4 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | 179.6 | 120.7 | 114.8 | -95.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 290 | E | 27.5 | Very low | 27.3 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | 50.2 | 124.6 | 147.1 | -59.3 | -178.1 | 168.7 | 0 | 0 | 123.3 | ||||
| 291 | V | 28.7 | Very low | 27.3 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | trans | -104.2 | 160.3 | 175.3 | -154.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 292 | P | 29.1 | Very low | 27.1 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | -134.2 | 122.2 | 124.9 | 28 | -11.9 | 0 | 0 | 0 | 114.5 | |||||
| 293 | D | 26.8 | Very low | 27.1 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | 31.9 | 114.3 | 146.8 | -55.5 | -21.8 | 0 | 0 | 0 | 121.7 | ||||
| 294 | G | 30.7 | Very low | 26.9 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 160.7 | 98.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 295 | C | 28.9 | Very low | 27 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 97% | 0.973 | 82% | 0.819 | S | S | * | * | trans | 48 | 124.9 | 160.7 | -69 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 296 | G | 29.6 | Very low | 26.7 | Very low | 63 Ų | 63 | 140.6 Ų | 140.6 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | cis | 129.6 | 105 | 29.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 297 | D | 31 | Very low | 26.9 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | 60.4 | 108.4 | 148.7 | -46.4 | -21.7 | 0 | 0 | 0 | 119.5 | ||||
| 298 | D | 25.9 | Very low | 26.7 | Very low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | 75.2 | 118.7 | 79.9 | -83.7 | -19.2 | 0 | 0 | 0 | 114.9 | |||||
| 299 | V | 29 | Very low | 26.9 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -168 | 118.9 | 130.4 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 300 | L | 23 | Very low | 26.9 | Very low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -83.9 | 156.7 | 167.9 | -82.8 | 149.4 | 0 | 0 | 0 | 112 | ||||
| 301 | L | 27.2 | Very low | 26.8 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -175.4 | 130.3 | 136.8 | -99.3 | 156.5 | 0 | 0 | 0 | 114.1 | ||||
| 302 | E | 22.1 | Very low | 26.5 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -88.3 | 156.7 | 174.4 | -67.1 | 177.9 | 130.6 | 0 | 0 | 113.2 | ||||
| 303 | S | 29.2 | Very low | 26.4 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -168.4 | 147.5 | 140.4 | 50.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 304 | S | 23.7 | Very low | 26.4 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | trans | -115 | 144.8 | -170.4 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 305 | V | 26.4 | Very low | 26.1 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -145 | 130.8 | 170.9 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 306 | R | 23 | Very low | 26 | Very low | 211 Ų | 211 | 139.6 Ų | 139.6 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -86.4 | 141.5 | 172.3 | -88 | 175.2 | 157.4 | 157.9 | -4.3 | 110.9 | ||||
| 307 | L | 27.4 | Very low | 25.9 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | trans | -139.1 | 93.8 | 168.3 | -84 | 161.7 | 0 | 0 | 0 | 110.7 | ||||
| 308 | D | 22.8 | Very low | 25.6 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -81.9 | 148.8 | 138.3 | -74.1 | -46.2 | 0 | 0 | 0 | 106.6 | ||||
| 309 | E | 27.4 | Very low | 25.6 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | 90.2 | 140.5 | -180 | -53.4 | -174.6 | 155.1 | 0 | 0 | 118.1 | ||||
| 310 | C | 25.9 | Very low | 25.4 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | 83.5 | 98.4 | 162.9 | -70.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 311 | T | 24.3 | Very low | 25.6 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | 45.2 | 118.9 | 100.6 | 33.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 312 | M | 23.7 | Very low | 25.5 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | 23.4 | 104.5 | 152.7 | -75.6 | -169 | 52.4 | 0 | 0 | 116 | ||||
| 313 | L | 27.3 | Very low | 25.8 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -171.2 | 137.7 | 137.3 | -97.9 | 147.9 | 0 | 0 | 0 | 110.9 | ||||
| 314 | A | 26.4 | Very low | 25.7 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 15.7 | 126.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | A316 | A314-A316 PolarHBondContact O-N 2.92Š| ||
| 315 | A | 23.9 | Very low | 26 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -11 | 114.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 316 | A | 26.2 | Very low | 26.2 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -140.4 | 103 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | A314 V318 | A314-A316 PolarHBondContact O-N 2.92Å; A316-V318 PolarHBondContact O-N 2.75Å | ||
| 317 | S | 27.4 | Very low | 26.4 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -75.3 | 112.3 | 170.6 | 48.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 318 | V | 25.4 | Very low | 26.5 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | -92.5 | 113.8 | 166.5 | 179 | 0 | 0 | 0 | 0 | 107.3 | A316 | A316-V318 PolarHBondContact O-N 2.75Š| ||
| 319 | S | 26.6 | Very low | 26.8 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -88 | 118.1 | 173.5 | 43.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 320 | L | 25 | Very low | 26.8 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | -100.1 | 113.4 | 169.6 | -136.4 | 96.6 | 0 | 0 | 0 | 108.6 | ||||
| 321 | S | 26.2 | Very low | 27 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -87.1 | 108.7 | 174.1 | 57.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 322 | L | 26.4 | Very low | 27.2 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | -94.6 | 114 | 168 | -89.8 | 148.5 | 0 | 0 | 0 | 109.2 | ||||
| 323 | T | 26.6 | Very low | 27.5 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -89.7 | 106.8 | 172 | -46.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 324 | V | 28.6 | Very low | 27.5 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -90.8 | 128.2 | 171.7 | -173.3 | 0 | 0 | 0 | 0 | 108 | A326 | V324-A326 PolarHBondContact O-N 3.45Š| ||
| 325 | P | 28.6 | Very low | 27.4 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -66.7 | 117.4 | -176.1 | 24.7 | -31.2 | 0 | 0 | 0 | 110.8 | Y327 | P325-Y327 PolarHBondContact O-N 3.27Š| ||
| 326 | A | 30.6 | Very low | 27.6 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -73.2 | 112.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V324 | V324-A326 PolarHBondContact O-N 3.45Š| ||
| 327 | Y | 28.2 | Very low | 27.4 | Very low | 237 Ų | 237 | 141.5 Ų | 141.5 | 93% | 0.929 | 79% | 0.794 | S | S | * | * | trans | -88.6 | 111.7 | 165.4 | -136 | -95.3 | 0 | 0 | 0 | 108.7 | P325 | P325-Y327 PolarHBondContact O-N 3.27Š| ||
| 328 | A | 29 | Very low | 27.5 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 63.8 | 64.5 | 163 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 329 | D | 28.7 | Very low | 27.6 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | S | Bend | -160.6 | 148.1 | 124.2 | -145.1 | -14.3 | 0 | 0 | 0 | 111.1 | |||
| 330 | R | 28.7 | Very low | 27.8 | Very low | 229 Ų | 229 | 145.9 Ų | 145.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -63.9 | 136 | -161 | -64.1 | 171.8 | -179.2 | -178.4 | -0.2 | 114.3 | ||
| 331 | N | 30 | Very low | 28.1 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 60.9 | 54.2 | 154.2 | -73.6 | -1.9 | 0 | 0 | 0 | 119.5 | ||
| 332 | R | 28.4 | Very low | 28.1 | Very low | 226 Ų | 226 | 148.7 Ų | 148.7 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -137.1 | 110.6 | 162.1 | -69.4 | -172.3 | -180 | -175.1 | 1.2 | 113 | ||||
| 333 | S | 29.3 | Very low | 28.3 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -83.3 | 125.8 | 157.6 | 54.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 334 | V | 27.7 | Very low | 28.4 | Very low | 120 Ų | 120 | 158 Ų | 158 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -110.7 | 116.8 | 171.2 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | V336 | V334-V336 HydrophobicContact CG1-CG2 4.14Š| ||
| 335 | T | 24.7 | Very low | 28.4 | Very low | 135 Ų | 135 | 160 Ų | 160 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | trans | -82.5 | 121 | 167.2 | 17.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 336 | V | 27.2 | Very low | 28.4 | Very low | 111 Ų | 111 | 162.2 Ų | 162.2 | 67% | 0.673 | 83% | 0.829 | S | S | * | * | trans | -105.3 | 113.1 | 172.8 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | V334 V338 | V334-V336 HydrophobicContact CG1-CG2 4.14Å; V336-V338 HydrophobicContact CG1-CG2 4.44Å | ||
| 337 | E | 23.2 | Very low | 28.3 | Very low | 168 Ų | 168 | 166.3 Ų | 166.3 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | -84.2 | 116.9 | 167.7 | -73.1 | -172 | 157.1 | 0 | 0 | 109 | M339 | E337-M339 PolarHBondContact O-N 2.85Š| ||
| 338 | V | 29 | Very low | 28.3 | Very low | 113 Ų | 113 | 162.1 Ų | 162.1 | 69% | 0.685 | 83% | 0.829 | S | S | * | * | trans | -89 | 101.5 | 171.6 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | V336 H340 | V336-V338 HydrophobicContact CG1-CG2 4.44Å; V338-H340 PolarHBondContact O-N 3.27Å | ||
| 339 | M | 26.4 | Very low | 28.2 | Very low | 167 Ų | 167 | 166.6 Ų | 166.6 | 82% | 0.823 | 83% | 0.834 | S | S | * | * | trans | -72.8 | 114.9 | 167.9 | -72 | -154.6 | -174.8 | 0 | 0 | 109.8 | E337 G341 | E337-M339 PolarHBondContact O-N 2.85Å; M339-G341 PolarHBondContact O-N 3.46Å; M339-G341 VanDerWaalsContact O-N 3.13Å | ||
| 340 | H | 30.5 | Very low | 28.2 | Very low | 179 Ų | 179 | 167.9 Ų | 167.9 | 83% | 0.829 | 84% | 0.837 | S | S | * | * | trans | -74.3 | 96.4 | 167.3 | -75.6 | 74.2 | 0 | 0 | 0 | 109.4 | V338 | V338-H340 PolarHBondContact O-N 3.27Š| ||
| 341 | G | 32.5 | Very low | 28.2 | Very low | 62 Ų | 62 | 163.5 Ų | 163.5 | 64% | 0.639 | 84% | 0.835 | S | S | * | * | trans | -84.8 | 110.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | M339 Y343 | M339-G341 PolarHBondContact O-N 3.46Å; M339-G341 VanDerWaalsContact O-N 3.13Å; G341-Y343 PolarHBondContact O-N 2.88Å | ||
| 342 | R | 26.4 | Very low | 28 | Very low | 244 Ų | 244 | 163.4 Ų | 163.4 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -60.6 | 123.3 | 172.5 | -68.4 | 176.9 | 178 | 178.3 | -1.8 | 110.5 | ||||
| 343 | Y | 30.8 | Very low | 28 | Very low | 234 Ų | 234 | 158.2 Ų | 158.2 | 92% | 0.918 | 83% | 0.829 | S | S | * | * | trans | -95.7 | 116.7 | 156.3 | -77.7 | -88.9 | 0 | 0 | 0 | 107.8 | G341 | G341-Y343 PolarHBondContact O-N 2.88Š| ||
| 344 | L | 28.1 | Very low | 27.9 | Very low | 243 Ų | 243 | 161.5 Ų | 161.5 | 100% | 1.272 | 83% | 0.827 | S | S | * | * | trans | -70.3 | 0 | 167.8 | -83.2 | 167.1 | 0 | 0 | 0 | 110.9 |
Retrieved 344 of 344 residues in 370.3 ms
(Link to these results)