| 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 | 41.9 | Very low | 56 | Low | 241 Ų | 241 | 130.2 Ų | 130.2 | 100% | 1.187 | 70% | 0.697 | S | S | * | * | 0 | 99.2 | 0 | -62.6 | -65.4 | -153.2 | 0 | 0 | 108.8 | K3 | M1-K3 PolarHBondContact O-N 3.38Š| |||
| 2 | S | 54.5 | Low | 56.2 | Low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | trans | -74.7 | 119.6 | -157.7 | 178.2 | 0 | 0 | 0 | 0 | 114.3 | A4 | S2-A4 PolarHBondContact O-N 3.31Å; S2-A4 VanDerWaalsContact O-N 3.16Å; S2-A4 WeakPolarHBondContact OG-CB 3.36Å; S2-A4 PolarHBondContact OG-N 2.9Å | ||
| 3 | K | 55.7 | Low | 56.2 | Low | 201 Ų | 201 | 127.8 Ų | 127.8 | 87% | 0.874 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -15.8 | 168.4 | -76.3 | -178.1 | 176.9 | 176.6 | 0 | 113.1 | M1 | M1-K3 PolarHBondContact O-N 3.38Š|
| 4 | A | 57.8 | Low | 56.1 | Low | 62 Ų | 62 | 132.4 Ų | 132.4 | 51% | 0.512 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -72.9 | -29.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S2 S6 A7 | S2-A4 PolarHBondContact O-N 3.31Å; S2-A4 VanDerWaalsContact O-N 3.16Å; S2-A4 WeakPolarHBondContact OG-CB 3.36Å; S2-A4 PolarHBondContact OG-N 2.9Å; A4-S6 VanDerWaalsContact C-N 3.3Å; A4-S6 PolarHBondContact O-N 2.94Å; A4-A7 PolarHBondContact O-N 3.37Å |
| 5 | G | 54.1 | Low | 56.3 | Low | 51 Ų | 51 | 136 Ų | 136 | 53% | 0.526 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -68 | -27.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 6 | S | 58 | Low | 56.2 | Low | 73 Ų | 73 | 138.9 Ų | 138.9 | 51% | 0.51 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -71.4 | -37.3 | 177.7 | 169 | 0 | 0 | 0 | 0 | 112.4 | A4 R10 | A4-S6 VanDerWaalsContact C-N 3.3Å; A4-S6 PolarHBondContact O-N 2.94Å; S6-R10 PolarHBondContact O-N 3.06Å |
| 7 | A | 58.3 | Low | 56.7 | Low | 57 Ų | 57 | 138.2 Ų | 138.2 | 47% | 0.471 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -71.1 | -41.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A4 R9 R10 L11 | A4-A7 PolarHBondContact O-N 3.37Å; A7-R9 VanDerWaalsContact C-N 3.34Å; A7-R9 PolarHBondContact O-N 3.25Å; A7-R10 PolarHBondContact O-N 3.16Å; A7-L11 PolarHBondContact O-N 3.03Å |
| 8 | V | 60.8 | Low | 57 | Low | 102 Ų | 102 | 141.3 Ų | 141.3 | 62% | 0.618 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -67.1 | -36.2 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | R10 L11 A12 | V8-R10 PolarHBondContact O-N 3.21Å; V8-L11 PolarHBondContact O-N 3.26Å; V8-A12 PolarHBondContact O-N 3.24Å |
| 9 | R | 56.8 | Low | 57.5 | Low | 200 Ų | 200 | 143.9 Ų | 143.9 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -65.9 | -25.3 | 176.8 | -162.2 | 171.6 | 178.7 | 177.7 | -0.7 | 112.9 | A7 | A7-R9 VanDerWaalsContact C-N 3.34Å; A7-R9 PolarHBondContact O-N 3.25Å |
| 10 | R | 57.2 | Low | 58.2 | Low | 196 Ų | 196 | 142.3 Ų | 142.3 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -76.2 | -28.4 | 174.7 | -74.6 | -177.4 | 175.1 | -177.3 | -1.3 | 113.4 | S6 A7 V8 | S6-R10 PolarHBondContact O-N 3.06Å; A7-R10 PolarHBondContact O-N 3.16Å; V8-R10 PolarHBondContact O-N 3.21Å |
| 11 | L | 61.1 | Low | 58.8 | Low | 152 Ų | 152 | 142.1 Ų | 142.1 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -77.3 | -29.9 | 178.3 | -72.7 | 165.8 | 0 | 0 | 0 | 112.7 | A7 V8 | A7-L11 PolarHBondContact O-N 3.03Å; V8-L11 PolarHBondContact O-N 3.26Å |
| 12 | A | 58.2 | Low | 60.2 | Low | 84 Ų | 84 | 133.8 Ų | 133.8 | 69% | 0.694 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -80.7 | -12.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V8 K14 | V8-A12 PolarHBondContact O-N 3.24Å; A12-K14 PolarHBondContact O-N 3.3Å |
| 13 | Q | 56.1 | Low | 61.2 | Low | 146 Ų | 146 | 131.4 Ų | 131.4 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | -73 | 83.1 | 165.4 | -74.8 | -173.5 | -6.9 | 0 | 0 | 108.1 | K15 | Q13-K15 PolarHBondContact O-N 3.25Š| ||
| 14 | K | 55.2 | Low | 62.6 | Low | 192 Ų | 192 | 125.6 Ų | 125.6 | 84% | 0.835 | 67% | 0.672 | S | S | * | * | trans | -48.6 | 99.7 | 157.1 | -174.4 | 176.7 | -176.1 | 177.8 | 0 | 105.4 | A12 E16 | A12-K14 PolarHBondContact O-N 3.3Å; K14-E16 PolarHBondContact O-N 3.25Å | ||
| 15 | K | 58.7 | Low | 64 | Low | 186 Ų | 186 | 126.1 Ų | 126.1 | 81% | 0.809 | 67% | 0.665 | S | S | * | * | trans | -49.4 | 111.9 | 173.9 | -83.3 | 179.4 | 177.5 | 175.2 | 0 | 104.9 | Q13 T17 | Q13-K15 PolarHBondContact O-N 3.25Å; K15-T17 VanDerWaalsContact C-N 3.28Å; K15-T17 PolarHBondContact O-N 3.2Å | ||
| 16 | E | 55 | Low | 65.7 | Low | 183 Ų | 183 | 124.2 Ų | 124.2 | 86% | 0.855 | 64% | 0.643 | S | S | * | * | trans | -55.5 | 104.2 | 171.1 | -69.8 | -179.4 | 169 | 0 | 0 | 105.3 | K14 K18 | K14-E16 PolarHBondContact O-N 3.25Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.3Å | ||
| 17 | T | 63.7 | Low | 67.2 | Low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 65% | 0.651 | S | S | * | * | trans | -63.7 | 101.7 | 176.9 | 46.6 | 0 | 0 | 0 | 0 | 104.7 | K15 K19 | K15-T17 VanDerWaalsContact C-N 3.28Å; K15-T17 PolarHBondContact O-N 3.2Å; T17-K19 PolarHBondContact O-N 3.44Å | ||
| 18 | K | 63.3 | Low | 68.7 | Low | 193 Ų | 193 | 127.3 Ų | 127.3 | 84% | 0.839 | 63% | 0.633 | S | S | * | * | trans | -49.3 | 113.6 | 175.6 | -70.3 | -177.6 | 178.6 | -178.2 | 0 | 106.6 | E16 V20 | E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.3Å; K18-V20 PolarHBondContact O-N 2.95Å; K18-V20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | K | 66.1 | Low | 70.2 | Confident | 192 Ų | 192 | 126.7 Ų | 126.7 | 84% | 0.835 | 63% | 0.629 | S | S | * | * | trans | -53.5 | 122.2 | 170 | -71.9 | -178.3 | -179.4 | 178.3 | 0 | 105.8 | T17 V21 | T17-K19 PolarHBondContact O-N 3.44Å; K19-V21 PolarHBondContact O-N 2.97Å | ||
| 20 | V | 71.4 | Confident | 71.9 | Confident | 111 Ų | 111 | 117.5 Ų | 117.5 | 67% | 0.673 | 60% | 0.595 | S | S | * | * | trans | -64.6 | 103.4 | -179 | 178 | 0 | 0 | 0 | 0 | 106.4 | K18 H22 | K18-V20 PolarHBondContact O-N 2.95Å; K18-V20 VanDerWaalsContact O-N 3.09Å; V20-H22 PolarHBondContact O-CD2 2.86Å; V20-H22 PolarHBondContact O-N 3.37Å | ||
| 21 | V | 70.6 | Confident | 73.5 | Confident | 138 Ų | 138 | 110.7 Ų | 110.7 | 84% | 0.836 | 58% | 0.576 | S | S | * | * | trans | -72.9 | 105.1 | 176 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | K19 G23 | K19-V21 PolarHBondContact O-N 2.97Å; V21-G23 PolarHBondContact O-N 3.26Å | ||
| 22 | H | 70.9 | Confident | 75 | Confident | 67 Ų | 67 | 103.5 Ų | 103.5 | 31% | 0.31 | 54% | 0.538 | S | S | . | . | trans | -71.1 | 116 | 176.7 | -76.7 | -53.5 | 0 | 0 | 0 | 110 | V20 E47 R48 | V20-H22 PolarHBondContact O-CD2 2.86Å; V20-H22 PolarHBondContact O-N 3.37Å; H22-E47 IonicContact CE1-OE2 3.26Å; H22-E47 PolarHBondContact CE1-OE2 3Å; H22-E47 VanDerWaalsContact CE1-OE2 3.26Å; H22-E47 IonicContact NE2-OE2 3.67Å; H22-R48 VanDerWaalsContact CB-CD 3.41Å; H22-R48 VanDerWaalsContact CG-CZ 3.45Å; H22-R48 PolarHBondContact ND1-NE 2.86Å; H22-R48 PolarHBondContact ND1-NH2 3.2Å | ||
| 23 | G | 77 | Confident | 76.5 | Confident | 46 Ų | 46 | 102.5 Ų | 102.5 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | trans | -60.2 | 165.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | V21 I25 R48 | V21-G23 PolarHBondContact O-N 3.26Å; G23-I25 VanDerWaalsContact C-N 3.28Å; G23-I25 PolarHBondContact O-N 3.47Å; G23-R48 PolarHBondContact O-NH1 3.05Å | ||
| 24 | S | 83.8 | Confident | 78.1 | Confident | 79 Ų | 79 | 100.5 Ų | 100.5 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -71.3 | -13 | -175.4 | 54.2 | 0 | 0 | 0 | 0 | 115.3 | I78 | S24-I78 WeakPolarHBondContact O-CB 3.29Å; S24-I78 PolarHBondContact O-N 3.15Å |
| 25 | I | 87.8 | Confident | 79.6 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 38% | 0.379 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119 | -178.3 | -54.2 | 175.3 | 0 | 0 | 0 | 109.2 | G23 R27 V76 | G23-I25 VanDerWaalsContact C-N 3.28Å; G23-I25 PolarHBondContact O-N 3.47Å; I25-R27 HydrophobicContact CG2-CG 4.41Å; I25-V76 WeakPolarHBondContact CA-O 3.42Å |
| 26 | L | 89.1 | Confident | 81 | Confident | 10 Ų | 10 | 85.9 Ų | 85.9 | 5% | 0.052 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.9 | 171 | 173.9 | 70.3 | 0 | 0 | 0 | 109.1 | V28 Q44 V45 V76 I78 | L26-V28 HydrophobicContact CD1-CG2 3.95Å; L26-V28 HydrophobicContact CD2-CG2 3.77Å; L26-V28 HydrophobicContact CG-CG2 3.59Å; L26-Q44 HydrophobicContact CD1-CB 4.46Å; L26-V45 HydrophobicContact CD2-CG2 3.85Å; L26-V76 HydrophobicContact CB-CB 4.19Å; L26-V76 PolarHBondContact N-O 2.86Å; L26-V76 PolarHBondContact O-N 2.99Å; L26-I78 HydrophobicContact CB-CD1 4.14Å |
| 27 | R | 89.9 | Confident | 82.5 | Confident | 182 Ų | 182 | 79.1 Ų | 79.1 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 114.3 | 176.9 | -61.6 | 178.7 | -174.1 | 171.2 | 2.4 | 108.2 | I25 T74 | I25-R27 HydrophobicContact CG2-CG 4.41Å; R27-T74 WeakPolarHBondContact CA-O 3.4Å |
| 28 | V | 90.8 | Very high | 83.6 | Confident | 14 Ų | 14 | 76.2 Ų | 76.2 | 9% | 0.085 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.1 | 178.2 | -162.5 | 0 | 0 | 0 | 0 | 109.4 | L26 I30 L41 T74 | L26-V28 HydrophobicContact CD1-CG2 3.95Å; L26-V28 HydrophobicContact CD2-CG2 3.77Å; L26-V28 HydrophobicContact CG-CG2 3.59Å; V28-I30 HydrophobicContact CB-CD1 4.26Å; V28-I30 HydrophobicContact CB-CG1 4.09Å; V28-I30 HydrophobicContact CG1-CD1 4.12Å; V28-I30 HydrophobicContact CG1-CG1 3.61Å; V28-L41 HydrophobicContact CB-CD1 4.4Å; V28-L41 HydrophobicContact CG1-CD1 3.79Å; V28-L41 HydrophobicContact CG2-CD1 4.3Å; V28-T74 PolarHBondContact N-O 3.4Å; V28-T74 WeakPolarHBondContact O-CA 3.22Å; V28-T74 WeakPolarHBondContact O-CB 3.37Å; V28-T74 PolarHBondContact O-N 3.4Å |
| 29 | T | 91.6 | Very high | 84.2 | Confident | 88 Ų | 88 | 72.7 Ų | 72.7 | 54% | 0.54 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.8 | 168.5 | -55.7 | 0 | 0 | 0 | 0 | 107.7 | P71 | T29-P71 HydrophobicContact CG2-CB 3.82Å |
| 30 | I | 91.4 | Very high | 84.9 | Confident | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.1 | -174.8 | -52.9 | 170.5 | 0 | 0 | 0 | 107.8 | V28 A32 A35 L41 F55 F59 V72 | V28-I30 HydrophobicContact CB-CD1 4.26Å; V28-I30 HydrophobicContact CB-CG1 4.09Å; V28-I30 HydrophobicContact CG1-CD1 4.12Å; V28-I30 HydrophobicContact CG1-CG1 3.61Å; I30-A32 PolarHBondContact O-N 2.89Å; I30-A35 HydrophobicContact CG2-CB 3.86Å; I30-L41 HydrophobicContact CD1-CD1 3.54Å; I30-L41 HydrophobicContact CD1-CD2 3.86Å; I30-L41 HydrophobicContact CD1-CG 4.36Å; I30-L41 HydrophobicContact CG1-CD1 4.1Å; I30-F55 HydrophobicContact CD1-CE1 3.64Å; I30-F55 HydrophobicContact CD1-CZ 4.02Å; I30-F59 HydrophobicContact CB-CE1 4.01Å; I30-F59 HydrophobicContact CB-CE2 3.95Å; I30-F59 HydrophobicContact CB-CZ 3.57Å; I30-F59 HydrophobicContact CD1-CD2 4.03Å; I30-F59 HydrophobicContact CD1-CE2 4Å; I30-F59 HydrophobicContact CD1-CZ 4.42Å; I30-F59 HydrophobicContact CG1-CE2 4.47Å; I30-F59 HydrophobicContact CG2-CD1 4.21Å; I30-F59 HydrophobicContact CG2-CE1 3.66Å; I30-F59 HydrophobicContact CG2-CE2 4.4Å; I30-F59 HydrophobicContact CG2-CZ 3.78Å; I30-V72 PolarHBondContact N-O 3.26Å; I30-V72 PolarHBondContact O-N 2.93Å |
| 31 | P | 92.4 | Very high | 85.6 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 34% | 0.344 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 132.7 | 169.3 | 25.7 | -33.5 | 0 | 0 | 0 | 110.6 | M34 F59 V70 | P31-M34 HydrophobicContact CB-CB 4.12Å; P31-M34 HydrophobicContact CB-SD 4.46Å; P31-M34 HydrophobicContact CG-CB 3.91Å; P31-M34 PolarHBondContact O-N 3.35Å; P31-F59 WeakPolarHBondContact O-CE1 3.43Å; P31-V70 CarbonylContact C-O 3.54Å; P31-V70 WeakPolarHBondContact CA-O 3.37Å |
| 32 | A | 91.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 140 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I30 M34 I66 I67 G69 V70 V72 | I30-A32 PolarHBondContact O-N 2.89Å; A32-M34 PolarHBondContact O-N 2.91Å; A32-I66 HydrophobicContact CB-CB 4.15Å; A32-I66 HydrophobicContact CB-CG2 3.96Å; A32-I67 WeakPolarHBondContact CB-O 3.28Å; A32-G69 PolarHBondContact O-N 3.14Å; A32-G69 VanDerWaalsContact O-N 3.13Å; A32-V70 HydrophobicContact CB-CB 4.34Å; A32-V70 WeakPolarHBondContact CB-O 3.41Å; A32-V70 PolarHBondContact N-O 3.38Å; A32-V72 HydrophobicContact CB-CG2 4.03Å |
| 33 | Q | 90.5 | Very high | 87.2 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -9.1 | -179.5 | -57 | 172.5 | -55.1 | 0 | 0 | 116.7 | N60 T63 E64 I66 E68 | Q33-N60 WeakPolarHBondContact CA-OD1 3.41Å; Q33-N60 VanDerWaalsContact O-CG 3.25Å; Q33-N60 PolarHBondContact O-ND2 2.82Å; Q33-N60 PolarHBondContact O-OD1 3.15Å; Q33-N60 VanDerWaalsContact O-OD1 3.13Å; Q33-T63 PolarHBondContact N-OG1 3.39Å; Q33-T63 VanDerWaalsContact N-OG1 3.1Å; Q33-E64 PolarHBondContact NE2-O 3.21Å; Q33-I66 PolarHBondContact OE1-O 2.87Å; Q33-E68 HydrophobicContact CB-CG 4.35Å; Q33-E68 VanDerWaalsContact OE1-CB 3.25Å |
| 34 | M | 88.9 | Confident | 87.8 | Confident | 105 Ų | 105 | 58.6 Ų | 58.6 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | trans | -107.5 | 25.5 | -176.7 | -58.7 | -176.2 | 81.9 | 0 | 0 | 112.9 | P31 A32 S36 N60 E68 | P31-M34 HydrophobicContact CB-CB 4.12Å; P31-M34 HydrophobicContact CB-SD 4.46Å; P31-M34 HydrophobicContact CG-CB 3.91Å; P31-M34 PolarHBondContact O-N 3.35Å; A32-M34 PolarHBondContact O-N 2.91Å; M34-S36 PolarHBondContact O-N 2.9Å; M34-N60 PolarHBondContact N-OD1 2.66Å; M34-E68 HydrophobicContact CG-CG 3.94Å; M34-E68 HydrophobicContact SD-CG 4.27Å | ||
| 35 | A | 87.9 | Confident | 87.9 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | trans | -68.3 | 127.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I30 L41 A56 F59 N60 | I30-A35 HydrophobicContact CG2-CB 3.86Å; A35-L41 HydrophobicContact CB-CD2 4.3Å; A35-A56 HydrophobicContact CB-CB 4.05Å; A35-F59 HydrophobicContact CB-CB 4.15Å; A35-F59 HydrophobicContact CB-CD1 3.42Å; A35-F59 VanDerWaalsContact CB-CD1 3.42Å; A35-F59 HydrophobicContact CB-CE1 4.1Å; A35-F59 HydrophobicContact CB-CG 3.99Å; A35-N60 VanDerWaalsContact CB-OD1 3.24Å; A35-N60 WeakPolarHBondContact CB-OD1 3.46Å; A35-N60 PolarHBondContact N-OD1 3.25Å; A35-N60 PolarHBondContact O-ND2 3.46Å; A35-N60 VanDerWaalsContact O-ND2 3.11Å | ||
| 36 | S | 87.5 | Confident | 87.9 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 43% | 0.427 | 32% | 0.316 | S | S | . | . | trans | -128.5 | 147.4 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | M34 S38 | M34-S36 PolarHBondContact O-N 2.9Å; S36-S38 PolarHBondContact O-N 3.04Å; S36-S38 PolarHBondContact OG-N 2.99Å; S36-S38 PolarHBondContact OG-OG 3.45Å | ||
| 37 | A | 85.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -70.2 | -3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G42 A52 V53 | A37-G42 WeakPolarHBondContact O-CA 3.5Å; A37-A52 HydrophobicContact CB-CB 4.19Å; A37-V53 HydrophobicContact CB-CG2 3.93Å |
| 38 | S | 86.4 | Confident | 87.5 | Confident | 67 Ų | 67 | 53 Ų | 53 | 47% | 0.469 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -60.3 | 162.6 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | S36 P40 L41 G42 | S36-S38 PolarHBondContact O-N 3.04Å; S36-S38 PolarHBondContact OG-N 2.99Å; S36-S38 PolarHBondContact OG-OG 3.45Å; S38-P40 WeakPolarHBondContact O-CD 3.25Å; S38-L41 PolarHBondContact O-N 2.85Å; S38-G42 PolarHBondContact O-N 2.89Å |
| 39 | P | 76.2 | Confident | 87.2 | Confident | 119 Ų | 119 | 54.1 Ų | 54.1 | 77% | 0.773 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 85.7 | 179.8 | -16.4 | 31.4 | 0 | 0 | 0 | 111.6 | P43 | P39-P43 HydrophobicContact CB-CG 4.39Š|
| 40 | P | 82.3 | Confident | 87 | Confident | 94 Ų | 94 | 50.4 Ų | 50.4 | 61% | 0.61 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | -136.3 | -20.2 | 103.8 | 36 | -27.2 | 0 | 0 | 0 | 114.3 | S38 Q44 | S38-P40 WeakPolarHBondContact O-CD 3.25Å; P40-Q44 WeakPolarHBondContact O-CG 3.41Å; P40-Q44 PolarHBondContact O-NE2 3.02Å | |
| 41 | L | 85.9 | Confident | 86.9 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -89.6 | -41.5 | -178.8 | 178.4 | 67.8 | 0 | 0 | 0 | 111.1 | V28 I30 A35 S38 Q44 V45 F55 | V28-L41 HydrophobicContact CB-CD1 4.4Å; V28-L41 HydrophobicContact CG1-CD1 3.79Å; V28-L41 HydrophobicContact CG2-CD1 4.3Å; I30-L41 HydrophobicContact CD1-CD1 3.54Å; I30-L41 HydrophobicContact CD1-CD2 3.86Å; I30-L41 HydrophobicContact CD1-CG 4.36Å; I30-L41 HydrophobicContact CG1-CD1 4.1Å; A35-L41 HydrophobicContact CB-CD2 4.3Å; S38-L41 PolarHBondContact O-N 2.85Å; L41-Q44 PolarHBondContact O-N 3.4Å; L41-V45 HydrophobicContact CD1-CG2 3.75Å; L41-V45 HydrophobicContact CG-CG2 4.06Å; L41-V45 WeakPolarHBondContact O-CG2 3.47Å; L41-V45 PolarHBondContact O-N 3.15Å; L41-F55 HydrophobicContact CD1-CD1 4.45Å; L41-F55 HydrophobicContact CD1-CE1 3.89Å; L41-F55 HydrophobicContact CD2-CD1 4Å; L41-F55 HydrophobicContact CD2-CE1 3.89Å; L41-F55 HydrophobicContact CG-CD1 4.43Å; L41-F55 HydrophobicContact CG-CE1 4.3Å |
| 42 | G | 86.7 | Confident | 86.7 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -52.2 | -53.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A37 S38 Q44 V45 G46 | A37-G42 WeakPolarHBondContact O-CA 3.5Å; S38-G42 PolarHBondContact O-N 2.89Å; G42-Q44 PolarHBondContact O-N 3.19Å; G42-V45 PolarHBondContact O-N 2.88Å; G42-G46 PolarHBondContact O-N 3.25Å |
| 43 | P | 88.2 | Confident | 86.7 | Confident | 66 Ų | 66 | 56.9 Ų | 56.9 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 177.5 | -25.3 | 34.9 | 0 | 0 | 0 | 113.1 | P39 V45 G46 E47 | P39-P43 HydrophobicContact CB-CG 4.39Å; P43-V45 PolarHBondContact O-N 3.26Å; P43-G46 PolarHBondContact O-N 2.89Å; P43-E47 WeakPolarHBondContact O-CB 3.26Å; P43-E47 VanDerWaalsContact O-CG 3.25Å; P43-E47 WeakPolarHBondContact O-CG 3.43Å; P43-E47 PolarHBondContact O-N 3.15Å |
| 44 | Q | 87.9 | Confident | 86.7 | Confident | 77 Ų | 77 | 57.7 Ų | 57.7 | 36% | 0.36 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | -178.1 | -67.4 | -177 | 48.7 | 0 | 0 | 112.9 | L26 P40 L41 G42 R48 | L26-Q44 HydrophobicContact CD1-CB 4.46Å; P40-Q44 WeakPolarHBondContact O-CG 3.41Å; P40-Q44 PolarHBondContact O-NE2 3.02Å; L41-Q44 PolarHBondContact O-N 3.4Å; G42-Q44 PolarHBondContact O-N 3.19Å; Q44-R48 WeakPolarHBondContact O-CG 3.33Å |
| 45 | V | 87.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -79.5 | -39.9 | 179.3 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | L26 L41 G42 P43 R48 L50 A52 F55 | L26-V45 HydrophobicContact CD2-CG2 3.85Å; L41-V45 HydrophobicContact CD1-CG2 3.75Å; L41-V45 HydrophobicContact CG-CG2 4.06Å; L41-V45 WeakPolarHBondContact O-CG2 3.47Å; L41-V45 PolarHBondContact O-N 3.15Å; G42-V45 PolarHBondContact O-N 2.88Å; P43-V45 PolarHBondContact O-N 3.26Å; V45-R48 WeakPolarHBondContact O-CB 3.48Å; V45-R48 PolarHBondContact O-N 2.99Å; V45-L50 HydrophobicContact CG1-CB 3.41Å; V45-L50 VanDerWaalsContact CG1-CB 3.41Å; V45-L50 HydrophobicContact CG1-CD1 4.14Å; V45-L50 HydrophobicContact CG1-CG 4.39Å; V45-L50 WeakPolarHBondContact O-CB 3.22Å; V45-L50 PolarHBondContact O-N 3.36Å; V45-A52 HydrophobicContact CG1-CB 4.44Å; V45-F55 HydrophobicContact CG1-CB 4.21Å; V45-F55 HydrophobicContact CG1-CG 4.28Å; V45-F55 HydrophobicContact CG2-CD1 4.08Å; V45-F55 HydrophobicContact CG2-CE1 4.26Å; V45-F55 HydrophobicContact CG2-CG 4.49Å |
| 46 | G | 85.9 | Confident | 87 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G42 P43 R48 G49 | G42-G46 PolarHBondContact O-N 3.25Å; P43-G46 PolarHBondContact O-N 2.89Å; G46-R48 PolarHBondContact O-N 3.34Å; G46-R48 VanDerWaalsContact O-N 3.12Å; G46-G49 PolarHBondContact O-N 3.41Å |
| 47 | E | 86.3 | Confident | 87.3 | Confident | 119 Ų | 119 | 55.4 Ų | 55.4 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.4 | 172 | -81.4 | 175 | -167.9 | 0 | 0 | 112.6 | H22 P43 | H22-E47 IonicContact CE1-OE2 3.26Å; H22-E47 PolarHBondContact CE1-OE2 3Å; H22-E47 VanDerWaalsContact CE1-OE2 3.26Å; H22-E47 IonicContact NE2-OE2 3.67Å; P43-E47 WeakPolarHBondContact O-CB 3.26Å; P43-E47 VanDerWaalsContact O-CG 3.25Å; P43-E47 WeakPolarHBondContact O-CG 3.43Å; P43-E47 PolarHBondContact O-N 3.15Å |
| 48 | R | 84.8 | Confident | 87.6 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 1.8 | 177.1 | -50.2 | -64.2 | 170.9 | 141.4 | -6.8 | 113.6 | H22 G23 Q44 V45 G46 L50 I78 | H22-R48 VanDerWaalsContact CB-CD 3.41Å; H22-R48 VanDerWaalsContact CG-CZ 3.45Å; H22-R48 PolarHBondContact ND1-NE 2.86Å; H22-R48 PolarHBondContact ND1-NH2 3.2Å; G23-R48 PolarHBondContact O-NH1 3.05Å; Q44-R48 WeakPolarHBondContact O-CG 3.33Å; V45-R48 WeakPolarHBondContact O-CB 3.48Å; V45-R48 PolarHBondContact O-N 2.99Å; G46-R48 PolarHBondContact O-N 3.34Å; G46-R48 VanDerWaalsContact O-N 3.12Å; R48-L50 VanDerWaalsContact C-N 3.32Å; R48-L50 HydrophobicContact CB-CG 4.48Å; R48-I78 HydrophobicContact CB-CD1 3.44Å; R48-I78 VanDerWaalsContact CB-CD1 3.44Å; R48-I78 HydrophobicContact CG-CD1 3.71Å |
| 49 | G | 85.1 | Confident | 87.9 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 15.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G46 | G46-G49 PolarHBondContact O-N 3.41Š|
| 50 | L | 87.4 | Confident | 88.7 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | trans | -91.1 | 149.9 | 176.3 | -65.1 | -174.6 | 0 | 0 | 0 | 111.3 | V45 R48 A52 V76 I78 R82 Y84 | V45-L50 HydrophobicContact CG1-CB 3.41Å; V45-L50 VanDerWaalsContact CG1-CB 3.41Å; V45-L50 HydrophobicContact CG1-CD1 4.14Å; V45-L50 HydrophobicContact CG1-CG 4.39Å; V45-L50 WeakPolarHBondContact O-CB 3.22Å; V45-L50 PolarHBondContact O-N 3.36Å; R48-L50 VanDerWaalsContact C-N 3.32Å; R48-L50 HydrophobicContact CB-CG 4.48Å; L50-A52 PolarHBondContact O-N 3.4Å; L50-V76 HydrophobicContact CD1-CG1 4Å; L50-I78 HydrophobicContact CD1-CD1 3.73Å; L50-I78 HydrophobicContact CD1-CG1 3.95Å; L50-I78 HydrophobicContact CD2-CG2 4.05Å; L50-I78 HydrophobicContact CG-CD1 4.21Å; L50-I78 HydrophobicContact CG-CG2 4.36Å; L50-R82 VanDerWaalsContact CD2-O 3.24Å; L50-R82 WeakPolarHBondContact CD2-O 3.38Å; L50-Y84 HydrophobicContact CD1-CD1 4.23Å; L50-Y84 HydrophobicContact CD1-CG 4.32Å; L50-Y84 HydrophobicContact CD2-CD1 3.79Å; L50-Y84 HydrophobicContact CD2-CG 4.43Å | ||
| 51 | N | 88.7 | Confident | 89.2 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | trans | -78.1 | 107.3 | 174.7 | -174.5 | -20.6 | 0 | 0 | 0 | 110.7 | V53 Q54 F55 | N51-V53 VanDerWaalsContact C-N 3.33Å; N51-V53 PolarHBondContact O-N 3.26Å; N51-V53 PolarHBondContact OD1-N 3.36Å; N51-V53 VanDerWaalsContact OD1-N 3.09Å; N51-Q54 HydrophobicContact CB-CB 4.08Å; N51-Q54 PolarHBondContact O-N 3.07Å; N51-Q54 PolarHBondContact OD1-N 3.45Å; N51-F55 WeakPolarHBondContact O-CB 3.47Å; N51-F55 PolarHBondContact O-N 3.34Å | ||
| 52 | A | 89.1 | Confident | 89.4 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -36.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | A37 V45 L50 A56 | A37-A52 HydrophobicContact CB-CB 4.19Å; V45-A52 HydrophobicContact CG1-CB 4.44Å; L50-A52 PolarHBondContact O-N 3.4Å; A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 3.24Å |
| 53 | V | 91.1 | Very high | 89.7 | Confident | 79 Ų | 79 | 52 Ų | 52 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.1 | -43 | -179.4 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | A37 N51 A56 K57 | A37-V53 HydrophobicContact CB-CG2 3.93Å; N51-V53 VanDerWaalsContact C-N 3.33Å; N51-V53 PolarHBondContact O-N 3.26Å; N51-V53 PolarHBondContact OD1-N 3.36Å; N51-V53 VanDerWaalsContact OD1-N 3.09Å; V53-A56 PolarHBondContact O-N 3.45Å; V53-K57 WeakPolarHBondContact O-CG 3.37Å; V53-K57 PolarHBondContact O-N 2.77Å |
| 54 | Q | 91.8 | Very high | 89.8 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 177.3 | -172.7 | 58.4 | 33.4 | 0 | 0 | 110.9 | N51 A56 K57 D58 | N51-Q54 HydrophobicContact CB-CB 4.08Å; N51-Q54 PolarHBondContact O-N 3.07Å; N51-Q54 PolarHBondContact OD1-N 3.45Å; Q54-A56 VanDerWaalsContact C-N 3.34Å; Q54-A56 PolarHBondContact O-N 3.41Å; Q54-K57 PolarHBondContact O-N 2.99Å; Q54-D58 PolarHBondContact NE2-OD1 3.33Å; Q54-D58 PolarHBondContact NE2-OD2 3.5Å; Q54-D58 PolarHBondContact O-N 3.17Å |
| 55 | F | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 175.9 | 177.1 | -95.5 | 0 | 0 | 0 | 112.3 | I30 L41 V45 N51 K57 D58 F59 V76 Y84 I86 | I30-F55 HydrophobicContact CD1-CE1 3.64Å; I30-F55 HydrophobicContact CD1-CZ 4.02Å; L41-F55 HydrophobicContact CD1-CD1 4.45Å; L41-F55 HydrophobicContact CD1-CE1 3.89Å; L41-F55 HydrophobicContact CD2-CD1 4Å; L41-F55 HydrophobicContact CD2-CE1 3.89Å; L41-F55 HydrophobicContact CG-CD1 4.43Å; L41-F55 HydrophobicContact CG-CE1 4.3Å; V45-F55 HydrophobicContact CG1-CB 4.21Å; V45-F55 HydrophobicContact CG1-CG 4.28Å; V45-F55 HydrophobicContact CG2-CD1 4.08Å; V45-F55 HydrophobicContact CG2-CE1 4.26Å; V45-F55 HydrophobicContact CG2-CG 4.49Å; N51-F55 WeakPolarHBondContact O-CB 3.47Å; N51-F55 PolarHBondContact O-N 3.34Å; F55-K57 PolarHBondContact O-N 2.94Å; F55-D58 PolarHBondContact O-N 2.96Å; F55-F59 VanDerWaalsContact O-CB 3.27Å; F55-F59 WeakPolarHBondContact O-CB 3.44Å; F55-F59 PolarHBondContact O-N 2.6Å; F55-V76 HydrophobicContact CE2-CB 4.48Å; F55-V76 HydrophobicContact CE2-CG1 4.15Å; F55-V76 HydrophobicContact CE2-CG2 3.48Å; F55-V76 VanDerWaalsContact CE2-CG2 3.48Å; F55-V76 HydrophobicContact CZ-CG2 3.71Å; F55-Y84 HydrophobicContact CD2-CD2 4.26Å; F55-Y84 HydrophobicContact CD2-CE2 4.05Å; F55-Y84 PolarHBondContact N-OH 2.9Å; F55-I86 HydrophobicContact CD2-CD1 3.98Å; F55-I86 HydrophobicContact CE2-CD1 3.66Å; F55-I86 HydrophobicContact CE2-CG1 4.07Å |
| 56 | A | 91 | Very high | 90 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A35 A52 V53 Q54 F59 N60 | A35-A56 HydrophobicContact CB-CB 4.05Å; A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 3.24Å; V53-A56 PolarHBondContact O-N 3.45Å; Q54-A56 VanDerWaalsContact C-N 3.34Å; Q54-A56 PolarHBondContact O-N 3.41Å; A56-F59 PolarHBondContact O-N 2.94Å; A56-N60 WeakPolarHBondContact O-CB 3.29Å; A56-N60 VanDerWaalsContact O-CG 3.23Å; A56-N60 PolarHBondContact O-N 3Å; A56-N60 PolarHBondContact O-ND2 3.1Å |
| 57 | K | 92.7 | Very high | 90.1 | Very high | 119 Ų | 119 | 65.8 Ų | 65.8 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 176.3 | -72 | 178.8 | -179.7 | -178.9 | 0 | 112.1 | V53 Q54 F55 F59 N60 K61 | V53-K57 WeakPolarHBondContact O-CG 3.37Å; V53-K57 PolarHBondContact O-N 2.77Å; Q54-K57 PolarHBondContact O-N 2.99Å; F55-K57 PolarHBondContact O-N 2.94Å; K57-F59 VanDerWaalsContact C-N 3.33Å; K57-N60 PolarHBondContact O-N 3.25Å; K57-K61 WeakPolarHBondContact O-CG 3.3Å; K57-K61 PolarHBondContact O-N 2.9Å; K57-K61 VanDerWaalsContact O-N 3.07Å |
| 58 | D | 92.9 | Very high | 90.2 | Very high | 46 Ų | 46 | 66 Ų | 66 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | -179.9 | -66 | -16.4 | 0 | 0 | 0 | 111.3 | Q54 F55 A62 Y84 I86 | Q54-D58 PolarHBondContact NE2-OD1 3.33Å; Q54-D58 PolarHBondContact NE2-OD2 3.5Å; Q54-D58 PolarHBondContact O-N 3.17Å; F55-D58 PolarHBondContact O-N 2.96Å; D58-A62 WeakPolarHBondContact O-CB 3.31Å; D58-A62 PolarHBondContact O-N 3.5Å; D58-Y84 PolarHBondContact OD2-OH 3.36Å; D58-I86 HydrophobicContact CB-CD1 4.42Å |
| 59 | F | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 174.3 | -179.8 | -84.5 | 0 | 0 | 0 | 112.2 | I30 P31 A35 F55 A56 K57 K61 A62 T63 V72 T74 F88 | I30-F59 HydrophobicContact CB-CE1 4.01Å; I30-F59 HydrophobicContact CB-CE2 3.95Å; I30-F59 HydrophobicContact CB-CZ 3.57Å; I30-F59 HydrophobicContact CD1-CD2 4.03Å; I30-F59 HydrophobicContact CD1-CE2 4Å; I30-F59 HydrophobicContact CD1-CZ 4.42Å; I30-F59 HydrophobicContact CG1-CE2 4.47Å; I30-F59 HydrophobicContact CG2-CD1 4.21Å; I30-F59 HydrophobicContact CG2-CE1 3.66Å; I30-F59 HydrophobicContact CG2-CE2 4.4Å; I30-F59 HydrophobicContact CG2-CZ 3.78Å; P31-F59 WeakPolarHBondContact O-CE1 3.43Å; A35-F59 HydrophobicContact CB-CB 4.15Å; A35-F59 HydrophobicContact CB-CD1 3.42Å; A35-F59 VanDerWaalsContact CB-CD1 3.42Å; A35-F59 HydrophobicContact CB-CE1 4.1Å; A35-F59 HydrophobicContact CB-CG 3.99Å; F55-F59 VanDerWaalsContact O-CB 3.27Å; F55-F59 WeakPolarHBondContact O-CB 3.44Å; F55-F59 PolarHBondContact O-N 2.6Å; A56-F59 PolarHBondContact O-N 2.94Å; K57-F59 VanDerWaalsContact C-N 3.33Å; F59-K61 PolarHBondContact O-N 2.77Å; F59-A62 PolarHBondContact O-N 3.07Å; F59-T63 HydrophobicContact CD1-CG2 4.33Å; F59-T63 HydrophobicContact CE1-CG2 3.92Å; F59-T63 HydrophobicContact CE2-CG2 4.08Å; F59-T63 HydrophobicContact CZ-CG2 3.77Å; F59-T63 WeakPolarHBondContact O-CB 3.48Å; F59-T63 WeakPolarHBondContact O-CG2 3.3Å; F59-T63 PolarHBondContact O-N 3.14Å; F59-T63 PolarHBondContact O-OG1 3.36Å; F59-V72 HydrophobicContact CZ-CB 4.35Å; F59-T74 HydrophobicContact CD2-CG2 4.49Å; F59-T74 HydrophobicContact CE2-CG2 4.42Å; F59-T74 WeakPolarHBondContact CE2-OG1 3.26Å; F59-F88 AromaticContact CD2-CE1 3.61Å; F59-F88 HydrophobicContact CD2-CE1 3.61Å; F59-F88 HydrophobicContact CD2-CZ 4.33Å; F59-F88 HydrophobicContact CE2-CD1 4.23Å; F59-F88 AromaticContact CE2-CE1 3.62Å; F59-F88 HydrophobicContact CE2-CE1 3.62Å |
| 60 | N | 92.3 | Very high | 90.7 | Very high | 44 Ų | 44 | 63 Ų | 63 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | -178.5 | -68.7 | -17.7 | 0 | 0 | 0 | 111.8 | Q33 M34 A35 A56 K57 T63 E64 | Q33-N60 WeakPolarHBondContact CA-OD1 3.41Å; Q33-N60 VanDerWaalsContact O-CG 3.25Å; Q33-N60 PolarHBondContact O-ND2 2.82Å; Q33-N60 PolarHBondContact O-OD1 3.15Å; Q33-N60 VanDerWaalsContact O-OD1 3.13Å; M34-N60 PolarHBondContact N-OD1 2.66Å; A35-N60 VanDerWaalsContact CB-OD1 3.24Å; A35-N60 WeakPolarHBondContact CB-OD1 3.46Å; A35-N60 PolarHBondContact N-OD1 3.25Å; A35-N60 PolarHBondContact O-ND2 3.46Å; A35-N60 VanDerWaalsContact O-ND2 3.11Å; A56-N60 WeakPolarHBondContact O-CB 3.29Å; A56-N60 VanDerWaalsContact O-CG 3.23Å; A56-N60 PolarHBondContact O-N 3Å; A56-N60 PolarHBondContact O-ND2 3.1Å; K57-N60 PolarHBondContact O-N 3.25Å; N60-T63 PolarHBondContact O-N 3.21Å; N60-E64 PolarHBondContact O-N 2.82Å |
| 61 | K | 93.7 | Very high | 90.9 | Very high | 142 Ų | 142 | 64 Ų | 64 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.7 | -46.7 | 173.1 | -72.4 | 175 | 179.8 | -176.9 | 0 | 112.1 | K57 F59 T63 E64 | K57-K61 WeakPolarHBondContact O-CG 3.3Å; K57-K61 PolarHBondContact O-N 2.9Å; K57-K61 VanDerWaalsContact O-N 3.07Å; F59-K61 PolarHBondContact O-N 2.77Å; K61-T63 VanDerWaalsContact C-N 3.28Å; K61-T63 PolarHBondContact O-N 3.31Å; K61-E64 WeakPolarHBondContact O-CB 3.37Å; K61-E64 PolarHBondContact O-N 2.93Å |
| 62 | A | 90.6 | Very high | 91.1 | Very high | 39 Ų | 39 | 59.3 Ų | 59.3 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.3 | -27.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D58 F59 H65 F88 | D58-A62 WeakPolarHBondContact O-CB 3.31Å; D58-A62 PolarHBondContact O-N 3.5Å; F59-A62 PolarHBondContact O-N 3.07Å; A62-H65 PolarHBondContact O-CE1 3.18Å; A62-H65 PolarHBondContact O-ND1 3.37Å; A62-F88 HydrophobicContact CB-CE2 3.43Å; A62-F88 VanDerWaalsContact CB-CE2 3.43Å; A62-F88 HydrophobicContact CB-CZ 3.4Å |
| 63 | T | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 9.6 | 179.2 | 56.3 | 0 | 0 | 0 | 0 | 114 | Q33 F59 N60 K61 H65 I66 F88 | Q33-T63 PolarHBondContact N-OG1 3.39Å; Q33-T63 VanDerWaalsContact N-OG1 3.1Å; F59-T63 HydrophobicContact CD1-CG2 4.33Å; F59-T63 HydrophobicContact CE1-CG2 3.92Å; F59-T63 HydrophobicContact CE2-CG2 4.08Å; F59-T63 HydrophobicContact CZ-CG2 3.77Å; F59-T63 WeakPolarHBondContact O-CB 3.48Å; F59-T63 WeakPolarHBondContact O-CG2 3.3Å; F59-T63 PolarHBondContact O-N 3.14Å; F59-T63 PolarHBondContact O-OG1 3.36Å; N60-T63 PolarHBondContact O-N 3.21Å; K61-T63 VanDerWaalsContact C-N 3.28Å; K61-T63 PolarHBondContact O-N 3.31Å; T63-H65 PolarHBondContact O-N 3.36Å; T63-I66 HydrophobicContact CG2-CD1 4.2Å; T63-I66 WeakPolarHBondContact O-CB 3.46Å; T63-I66 PolarHBondContact O-N 3.16Å; T63-F88 HydrophobicContact CG2-CD1 4.11Å; T63-F88 HydrophobicContact CG2-CE1 3.76Å; T63-F88 HydrophobicContact CG2-CZ 4.32Å |
| 64 | E | 91.2 | Very high | 91.3 | Very high | 142 Ų | 142 | 56.1 Ų | 56.1 | 66% | 0.664 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28.3 | -177.1 | -172.2 | 173.2 | -171.7 | 0 | 0 | 114 | Q33 N60 K61 I66 | Q33-E64 PolarHBondContact NE2-O 3.21Å; N60-E64 PolarHBondContact O-N 2.82Å; K61-E64 WeakPolarHBondContact O-CB 3.37Å; K61-E64 PolarHBondContact O-N 2.93Å; E64-I66 VanDerWaalsContact C-N 3.27Å; E64-I66 PolarHBondContact O-N 3.46Å |
| 65 | H | 90.1 | Very high | 91.3 | Very high | 155 Ų | 155 | 55.9 Ų | 55.9 | 72% | 0.718 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -10 | 176.8 | 65.3 | -82 | 0 | 0 | 0 | 113.6 | A62 T63 | A62-H65 PolarHBondContact O-CE1 3.18Å; A62-H65 PolarHBondContact O-ND1 3.37Å; T63-H65 PolarHBondContact O-N 3.36Å |
| 66 | I | 88.3 | Confident | 91.2 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.205 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -97.4 | 145.3 | -179.5 | -53 | 177.9 | 0 | 0 | 0 | 108 | A32 Q33 T63 E64 E68 V70 V72 | A32-I66 HydrophobicContact CB-CB 4.15Å; A32-I66 HydrophobicContact CB-CG2 3.96Å; Q33-I66 PolarHBondContact OE1-O 2.87Å; T63-I66 HydrophobicContact CG2-CD1 4.2Å; T63-I66 WeakPolarHBondContact O-CB 3.46Å; T63-I66 PolarHBondContact O-N 3.16Å; E64-I66 VanDerWaalsContact C-N 3.27Å; E64-I66 PolarHBondContact O-N 3.46Å; I66-E68 PolarHBondContact O-N 3.48Å; I66-V70 HydrophobicContact CG2-CB 3.98Å; I66-V70 HydrophobicContact CG2-CG1 4.31Å; I66-V70 HydrophobicContact CG2-CG2 4.23Å; I66-V72 HydrophobicContact CD1-CG2 3.92Å |
| 67 | I | 88.6 | Confident | 91.2 | Very high | 137 Ų | 137 | 58 Ų | 58 | 70% | 0.703 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 138.2 | 173.5 | -57.9 | 168.6 | 0 | 0 | 0 | 109.7 | A32 V70 | A32-I67 WeakPolarHBondContact CB-O 3.28Å; I67-V70 HydrophobicContact CB-CG2 3.86Å; I67-V70 HydrophobicContact CG2-CG2 4.34Å; I67-V70 WeakPolarHBondContact O-CG2 3.45Å; I67-V70 PolarHBondContact O-N 2.9Å |
| 68 | E | 88.9 | Confident | 91.1 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 141.2 | 178.9 | -168.3 | 173.8 | -178.8 | 0 | 0 | 111.9 | Q33 M34 I66 V70 | Q33-E68 HydrophobicContact CB-CG 4.35Å; Q33-E68 VanDerWaalsContact OE1-CB 3.25Å; M34-E68 HydrophobicContact CG-CG 3.94Å; M34-E68 HydrophobicContact SD-CG 4.27Å; I66-E68 PolarHBondContact O-N 3.48Å; E68-V70 PolarHBondContact O-N 3.23Å |
| 69 | G | 87.9 | Confident | 90.9 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -4.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A32 | A32-G69 PolarHBondContact O-N 3.14Å; A32-G69 VanDerWaalsContact O-N 3.13Å |
| 70 | V | 91.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -65.1 | 126.4 | 173.2 | 179 | 0 | 0 | 0 | 0 | 109.9 | P31 A32 I66 I67 E68 V72 P91 W95 | P31-V70 CarbonylContact C-O 3.54Å; P31-V70 WeakPolarHBondContact CA-O 3.37Å; A32-V70 HydrophobicContact CB-CB 4.34Å; A32-V70 WeakPolarHBondContact CB-O 3.41Å; A32-V70 PolarHBondContact N-O 3.38Å; I66-V70 HydrophobicContact CG2-CB 3.98Å; I66-V70 HydrophobicContact CG2-CG1 4.31Å; I66-V70 HydrophobicContact CG2-CG2 4.23Å; I67-V70 HydrophobicContact CB-CG2 3.86Å; I67-V70 HydrophobicContact CG2-CG2 4.34Å; I67-V70 WeakPolarHBondContact O-CG2 3.45Å; I67-V70 PolarHBondContact O-N 2.9Å; E68-V70 PolarHBondContact O-N 3.23Å; V70-V72 PolarHBondContact O-N 3.35Å; V70-P91 HydrophobicContact CG1-CB 3.84Å; V70-P91 HydrophobicContact CG1-CG 3.35Å; V70-W95 HydrophobicContact CB-CH2 3.96Å; V70-W95 HydrophobicContact CB-CZ2 4.04Å; V70-W95 HydrophobicContact CB-CZ3 4.47Å; V70-W95 HydrophobicContact CG1-CD2 4.3Å; V70-W95 HydrophobicContact CG1-CE3 3.96Å; V70-W95 HydrophobicContact CG1-CH2 3.58Å; V70-W95 HydrophobicContact CG1-CZ2 3.91Å; V70-W95 HydrophobicContact CG1-CZ3 3.59Å; V70-W95 HydrophobicContact CG2-CH2 3.31Å; V70-W95 HydrophobicContact CG2-CZ2 3.56Å; V70-W95 HydrophobicContact CG2-CZ3 4.15Å | ||
| 71 | P | 92.4 | Very high | 90.4 | Very high | 30 Ų | 30 | 64.2 Ų | 64.2 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 114.5 | 178 | 28 | -32.2 | 0 | 0 | 0 | 110.3 | T29 P73 P92 W95 | T29-P71 HydrophobicContact CG2-CB 3.82Å; P71-P73 WeakPolarHBondContact O-CD 3.49Å; P71-P92 WeakPolarHBondContact O-CD 3.27Å; P71-W95 VanDerWaalsContact CD-CE2 3.49Å; P71-W95 HydrophobicContact CG-CB 4.05Å; P71-W95 HydrophobicContact CG-CD2 4.1Å; P71-W95 HydrophobicContact CG-CG 3.55Å |
| 72 | V | 92.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 110.9 | 179.8 | -177 | 0 | 0 | 0 | 0 | 109.6 | I30 A32 F59 I66 V70 T74 F88 | I30-V72 PolarHBondContact N-O 3.26Å; I30-V72 PolarHBondContact O-N 2.93Å; A32-V72 HydrophobicContact CB-CG2 4.03Å; F59-V72 HydrophobicContact CZ-CB 4.35Å; I66-V72 HydrophobicContact CD1-CG2 3.92Å; V70-V72 PolarHBondContact O-N 3.35Å; V72-T74 PolarHBondContact O-N 3.01Å; V72-T74 PolarHBondContact O-OG1 2.91Å; V72-T74 VanDerWaalsContact O-OG1 3.11Å; V72-F88 HydrophobicContact CG1-CB 4.23Å; V72-F88 HydrophobicContact CG1-CD1 3.84Å; V72-F88 HydrophobicContact CG1-CG 4.49Å |
| 73 | P | 92.9 | Very high | 89.7 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 124.2 | 172.9 | -17.2 | 32.9 | 0 | 0 | 0 | 109.4 | P71 T89 P92 | P71-P73 WeakPolarHBondContact O-CD 3.49Å; P73-T89 WeakPolarHBondContact O-CB 3.49Å; P73-T89 PolarHBondContact O-N 3.37Å; P73-P92 HydrophobicContact CG-CG 3.76Å |
| 74 | T | 91.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.7 | -170 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | R27 V28 F59 V72 V76 I86 F88 | R27-T74 WeakPolarHBondContact CA-O 3.4Å; V28-T74 PolarHBondContact N-O 3.4Å; V28-T74 WeakPolarHBondContact O-CA 3.22Å; V28-T74 WeakPolarHBondContact O-CB 3.37Å; V28-T74 PolarHBondContact O-N 3.4Å; F59-T74 HydrophobicContact CD2-CG2 4.49Å; F59-T74 HydrophobicContact CE2-CG2 4.42Å; F59-T74 WeakPolarHBondContact CE2-OG1 3.26Å; V72-T74 PolarHBondContact O-N 3.01Å; V72-T74 PolarHBondContact O-OG1 2.91Å; V72-T74 VanDerWaalsContact O-OG1 3.11Å; T74-V76 HydrophobicContact CG2-CG2 4.11Å; T74-I86 HydrophobicContact CG2-CG2 3.28Å; T74-F88 HydrophobicContact CG2-CD1 4.26Å; T74-F88 HydrophobicContact CG2-CE1 4.22Å |
| 75 | R | 91.1 | Very high | 89.5 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.9 | 172.2 | -64.4 | 178.7 | 176.4 | -166.5 | -2.4 | 108 | Q87 V133 | R75-Q87 HydrophobicContact CB-CB 4.26Å; R75-Q87 PolarHBondContact N-O 3.03Å; R75-Q87 PolarHBondContact O-N 2.82Å; R75-V133 VanDerWaalsContact NH2-CG1 3.26Å |
| 76 | V | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 110.5 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 107.1 | I25 L26 L50 F55 T74 I78 Y84 K85 | I25-V76 WeakPolarHBondContact CA-O 3.42Å; L26-V76 HydrophobicContact CB-CB 4.19Å; L26-V76 PolarHBondContact N-O 2.86Å; L26-V76 PolarHBondContact O-N 2.99Å; L50-V76 HydrophobicContact CD1-CG1 4Å; F55-V76 HydrophobicContact CE2-CB 4.48Å; F55-V76 HydrophobicContact CE2-CG1 4.15Å; F55-V76 HydrophobicContact CE2-CG2 3.48Å; F55-V76 VanDerWaalsContact CE2-CG2 3.48Å; F55-V76 HydrophobicContact CZ-CG2 3.71Å; T74-V76 HydrophobicContact CG2-CG2 4.11Å; V76-I78 HydrophobicContact CG1-CG1 4.29Å; V76-Y84 HydrophobicContact CG1-CG 4.39Å; V76-K85 WeakPolarHBondContact CA-O 3.46Å |
| 77 | H | 91.1 | Very high | 89.6 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 25% | 0.245 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.3 | 171.1 | -64.1 | -87.8 | 0 | 0 | 0 | 108.4 | Y84 K85 Q87 | H77-Y84 CarbonylContact O-C 3.54Å; H77-Y84 WeakPolarHBondContact O-CA 3.46Å; H77-K85 HydrophobicContact CB-CB 4.36Å; H77-K85 PolarHBondContact N-O 3.31Å; H77-K85 PolarHBondContact O-N 3.08Å; H77-Q87 PolarHBondContact NE2-OE1 3.23Å |
| 78 | I | 90 | Very high | 89.8 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 115.9 | -175.1 | -49.3 | -174.9 | 0 | 0 | 0 | 107.5 | S24 L26 R48 L50 V76 | S24-I78 WeakPolarHBondContact O-CB 3.29Å; S24-I78 PolarHBondContact O-N 3.15Å; L26-I78 HydrophobicContact CB-CD1 4.14Å; R48-I78 HydrophobicContact CB-CD1 3.44Å; R48-I78 VanDerWaalsContact CB-CD1 3.44Å; R48-I78 HydrophobicContact CG-CD1 3.71Å; L50-I78 HydrophobicContact CD1-CD1 3.73Å; L50-I78 HydrophobicContact CD1-CG1 3.95Å; L50-I78 HydrophobicContact CD2-CG2 4.05Å; L50-I78 HydrophobicContact CG-CD1 4.21Å; L50-I78 HydrophobicContact CG-CG2 4.36Å; V76-I78 HydrophobicContact CG1-CG1 4.29Å |
| 79 | N | 88.5 | Confident | 89.8 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | trans | -81.6 | 157.6 | 175.2 | -63.1 | -34.3 | 0 | 0 | 0 | 110 | D81 R82 T83 | N79-D81 PolarHBondContact O-N 3.42Å; N79-D81 VanDerWaalsContact O-N 3.17Å; N79-R82 PolarHBondContact O-N 2.95Å; N79-R82 VanDerWaalsContact O-N 3.08Å; N79-T83 WeakPolarHBondContact CB-OG1 3.23Å; N79-T83 PolarHBondContact N-O 3.21Å; N79-T83 PolarHBondContact ND2-OG1 2.99Å | ||
| 80 | P | 85.9 | Confident | 90 | Very high | 127 Ų | 127 | 57.7 Ų | 57.7 | 83% | 0.825 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29.8 | 176.6 | 22.8 | -34.4 | 0 | 0 | 0 | 113.3 | R82 | P80-R82 PolarHBondContact O-N 3.25Å; P80-R82 VanDerWaalsContact O-N 3.09Å |
| 81 | D | 87.9 | Confident | 90 | Very high | 130 Ų | 130 | 58.2 Ų | 58.2 | 70% | 0.695 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 12.1 | 179.2 | -51.7 | -34.5 | 0 | 0 | 0 | 113.8 | N79 T83 | N79-D81 PolarHBondContact O-N 3.42Å; N79-D81 VanDerWaalsContact O-N 3.17Å; D81-T83 HydrophobicContact CB-CG2 4.47Å; D81-T83 PolarHBondContact O-N 3.2Å; D81-T83 VanDerWaalsContact O-N 3.09Å |
| 82 | R | 81.8 | Confident | 90.1 | Very high | 186 Ų | 186 | 58.7 Ų | 58.7 | 70% | 0.702 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 61.5 | 11.5 | -174.8 | -49.9 | 179.2 | -177.8 | -179.2 | 0.4 | 114.6 | L50 N79 P80 | L50-R82 VanDerWaalsContact CD2-O 3.24Å; L50-R82 WeakPolarHBondContact CD2-O 3.38Å; N79-R82 PolarHBondContact O-N 2.95Å; N79-R82 VanDerWaalsContact O-N 3.08Å; P80-R82 PolarHBondContact O-N 3.25Å; P80-R82 VanDerWaalsContact O-N 3.09Å |
| 83 | T | 87.4 | Confident | 90.1 | Very high | 72 Ų | 72 | 58.9 Ų | 58.9 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | trans | -77.6 | 149.2 | 166.8 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | N79 D81 | N79-T83 WeakPolarHBondContact CB-OG1 3.23Å; N79-T83 PolarHBondContact N-O 3.21Å; N79-T83 PolarHBondContact ND2-OG1 2.99Å; D81-T83 HydrophobicContact CB-CG2 4.47Å; D81-T83 PolarHBondContact O-N 3.2Å; D81-T83 VanDerWaalsContact O-N 3.09Å | ||
| 84 | Y | 89.2 | Confident | 90.1 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.4 | 179.2 | 57.5 | -91.4 | 0 | 0 | 0 | 112.1 | L50 F55 D58 V76 H77 I86 | L50-Y84 HydrophobicContact CD1-CD1 4.23Å; L50-Y84 HydrophobicContact CD1-CG 4.32Å; L50-Y84 HydrophobicContact CD2-CD1 3.79Å; L50-Y84 HydrophobicContact CD2-CG 4.43Å; F55-Y84 HydrophobicContact CD2-CD2 4.26Å; F55-Y84 HydrophobicContact CD2-CE2 4.05Å; F55-Y84 PolarHBondContact N-OH 2.9Å; D58-Y84 PolarHBondContact OD2-OH 3.36Å; V76-Y84 HydrophobicContact CG1-CG 4.39Å; H77-Y84 CarbonylContact O-C 3.54Å; H77-Y84 WeakPolarHBondContact O-CA 3.46Å; Y84-I86 HydrophobicContact CD2-CD1 4.11Å; Y84-I86 HydrophobicContact CD2-CG1 3.72Å; Y84-I86 HydrophobicContact CE2-CD1 3.85Å; Y84-I86 HydrophobicContact CE2-CG1 3.97Å |
| 85 | K | 90.7 | Very high | 90.2 | Very high | 138 Ų | 138 | 62.7 Ų | 62.7 | 60% | 0.6 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.9 | 167.3 | -65 | -178 | 178.8 | 179.3 | 0 | 108.8 | V76 H77 | V76-K85 WeakPolarHBondContact CA-O 3.46Å; H77-K85 HydrophobicContact CB-CB 4.36Å; H77-K85 PolarHBondContact N-O 3.31Å; H77-K85 PolarHBondContact O-N 3.08Å |
| 86 | I | 90.7 | Very high | 90.3 | Very high | 39 Ų | 39 | 60.6 Ų | 60.6 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.9 | 177.7 | -49.1 | -175.3 | 0 | 0 | 0 | 108.6 | F55 D58 T74 Y84 F88 | F55-I86 HydrophobicContact CD2-CD1 3.98Å; F55-I86 HydrophobicContact CE2-CD1 3.66Å; F55-I86 HydrophobicContact CE2-CG1 4.07Å; D58-I86 HydrophobicContact CB-CD1 4.42Å; T74-I86 HydrophobicContact CG2-CG2 3.28Å; Y84-I86 HydrophobicContact CD2-CD1 4.11Å; Y84-I86 HydrophobicContact CD2-CG1 3.72Å; Y84-I86 HydrophobicContact CE2-CD1 3.85Å; Y84-I86 HydrophobicContact CE2-CG1 3.97Å; I86-F88 HydrophobicContact CB-CE2 4.34Å; I86-F88 HydrophobicContact CB-CZ 4.19Å; I86-F88 HydrophobicContact CG2-CD1 4.21Å; I86-F88 HydrophobicContact CG2-CD2 4.43Å; I86-F88 HydrophobicContact CG2-CE1 3.61Å; I86-F88 HydrophobicContact CG2-CE2 3.84Å; I86-F88 HydrophobicContact CG2-CZ 3.4Å |
| 87 | Q | 90.8 | Very high | 90.5 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121.3 | 167.4 | -70.6 | -177.8 | -32.6 | 0 | 0 | 108.9 | R75 H77 | R75-Q87 HydrophobicContact CB-CB 4.26Å; R75-Q87 PolarHBondContact N-O 3.03Å; R75-Q87 PolarHBondContact O-N 2.82Å; H77-Q87 PolarHBondContact NE2-OE1 3.23Å |
| 88 | F | 90.9 | Very high | 90.6 | Very high | 72 Ų | 72 | 61 Ų | 61 | 32% | 0.316 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 137.6 | 173.7 | -57.3 | -74.9 | 0 | 0 | 0 | 109.6 | F59 A62 T63 V72 T74 I86 | F59-F88 AromaticContact CD2-CE1 3.61Å; F59-F88 HydrophobicContact CD2-CE1 3.61Å; F59-F88 HydrophobicContact CD2-CZ 4.33Å; F59-F88 HydrophobicContact CE2-CD1 4.23Å; F59-F88 AromaticContact CE2-CE1 3.62Å; F59-F88 HydrophobicContact CE2-CE1 3.62Å; A62-F88 HydrophobicContact CB-CE2 3.43Å; A62-F88 VanDerWaalsContact CB-CE2 3.43Å; A62-F88 HydrophobicContact CB-CZ 3.4Å; T63-F88 HydrophobicContact CG2-CD1 4.11Å; T63-F88 HydrophobicContact CG2-CE1 3.76Å; T63-F88 HydrophobicContact CG2-CZ 4.32Å; V72-F88 HydrophobicContact CG1-CB 4.23Å; V72-F88 HydrophobicContact CG1-CD1 3.84Å; V72-F88 HydrophobicContact CG1-CG 4.49Å; T74-F88 HydrophobicContact CG2-CD1 4.26Å; T74-F88 HydrophobicContact CG2-CE1 4.22Å; I86-F88 HydrophobicContact CB-CE2 4.34Å; I86-F88 HydrophobicContact CB-CZ 4.19Å; I86-F88 HydrophobicContact CG2-CD1 4.21Å; I86-F88 HydrophobicContact CG2-CD2 4.43Å; I86-F88 HydrophobicContact CG2-CE1 3.61Å; I86-F88 HydrophobicContact CG2-CE2 3.84Å; I86-F88 HydrophobicContact CG2-CZ 3.4Å |
| 89 | T | 90.2 | Very high | 90.7 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | trans | -108.8 | 146.8 | 166.2 | -56.2 | 0 | 0 | 0 | 0 | 107.4 | P73 D131 | P73-T89 WeakPolarHBondContact O-CB 3.49Å; P73-T89 PolarHBondContact O-N 3.37Å; T89-D131 HydrophobicContact CG2-CB 4.12Å; T89-D131 WeakPolarHBondContact CG2-OD1 3.45Å | ||
| 90 | T | 91.4 | Very high | 90.9 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 16% | 0.16 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 155.6 | 171.2 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | V127 K128 D131 | T90-V127 HydrophobicContact CG2-CG1 3.97Å; T90-K128 WeakPolarHBondContact OG1-CD 3.33Å; T90-K128 PolarHBondContact OG1-NZ 3.4Å; T90-D131 VanDerWaalsContact CB-OD1 3.29Å; T90-D131 WeakPolarHBondContact CB-OD1 3.26Å; T90-D131 VanDerWaalsContact CG2-OD1 3.24Å; T90-D131 WeakPolarHBondContact CG2-OD1 3.33Å; T90-D131 PolarHBondContact N-OD1 3.36Å; T90-D131 PolarHBondContact OG1-OD1 3.32Å; T90-D131 PolarHBondContact OG1-OD2 3.39Å |
| 91 | P | 92.7 | Very high | 91.3 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 153.6 | -175.7 | -26.7 | 35.3 | 0 | 0 | 0 | 113.3 | V70 W95 L96 | V70-P91 HydrophobicContact CG1-CB 3.84Å; V70-P91 HydrophobicContact CG1-CG 3.35Å; P91-W95 HydrophobicContact CB-CD2 4.5Å; P91-W95 HydrophobicContact CB-CE3 3.73Å; P91-W95 HydrophobicContact CB-CZ3 4.23Å; P91-W95 HydrophobicContact CG-CE3 4.36Å; P91-W95 HydrophobicContact CG-CZ3 4.38Å; P91-L96 HydrophobicContact CB-CD2 4.22Å; P91-L96 HydrophobicContact CB-CG 4.19Å; P91-L96 HydrophobicContact CG-CD2 4.45Å |
| 92 | P | 92.9 | Very high | 91.4 | Very high | 39 Ų | 39 | 55 Ų | 55 | 25% | 0.253 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 143.8 | 178.9 | -22.6 | 33.4 | 0 | 0 | 0 | 111.9 | P71 P73 P94 W95 L96 | P71-P92 WeakPolarHBondContact O-CD 3.27Å; P73-P92 HydrophobicContact CG-CG 3.76Å; P92-P94 VanDerWaalsContact C-CD 3.49Å; P92-P94 VanDerWaalsContact C-N 3.34Å; P92-W95 WeakPolarHBondContact O-CB 3.26Å; P92-W95 PolarHBondContact O-N 3.09Å; P92-L96 PolarHBondContact O-N 3.39Å; P92-L96 VanDerWaalsContact O-N 3.15Å |
| 93 | I | 93.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -51.7 | -46.4 | 177.3 | -69 | 171.7 | 0 | 0 | 0 | 112.3 | W95 L96 L97 K128 T145 V146 Y149 | I93-W95 PolarHBondContact O-N 3.2Å; I93-L96 PolarHBondContact O-N 3.18Å; I93-L97 HydrophobicContact CG2-CD1 3.53Å; I93-L97 HydrophobicContact CG2-CG 3.98Å; I93-L97 WeakPolarHBondContact O-CB 3.44Å; I93-L97 WeakPolarHBondContact O-CG 3.34Å; I93-L97 PolarHBondContact O-N 3.47Å; I93-K128 HydrophobicContact CD1-CG 4.47Å; I93-K128 HydrophobicContact CG1-CD 4.15Å; I93-K128 HydrophobicContact CG1-CG 4.31Å; I93-T145 HydrophobicContact CD1-CG2 4.18Å; I93-V146 HydrophobicContact CD1-CG2 3.86Å; I93-V146 HydrophobicContact CG1-CG2 4.31Å; I93-V146 HydrophobicContact CG2-CB 4.49Å; I93-V146 HydrophobicContact CG2-CG1 4.24Å; I93-V146 HydrophobicContact CG2-CG2 4.29Å; I93-Y149 HydrophobicContact CB-CD2 3.92Å; I93-Y149 HydrophobicContact CB-CE2 4.4Å; I93-Y149 HydrophobicContact CB-CG 4.16Å; I93-Y149 HydrophobicContact CD1-CD2 3.58Å; I93-Y149 HydrophobicContact CD1-CE2 3.69Å; I93-Y149 HydrophobicContact CG1-CD2 4.36Å; I93-Y149 HydrophobicContact CG2-CD2 3.74Å; I93-Y149 HydrophobicContact CG2-CG 3.79Å |
| 94 | P | 92.9 | Very high | 91.7 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 28% | 0.279 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -30.7 | 179.6 | -25.2 | 35.4 | 0 | 0 | 0 | 113.4 | P92 K98 Y149 | P92-P94 VanDerWaalsContact C-CD 3.49Å; P92-P94 VanDerWaalsContact C-N 3.34Å; P94-K98 WeakPolarHBondContact O-CB 3.44Å; P94-K98 WeakPolarHBondContact O-CD 3.38Å; P94-K98 WeakPolarHBondContact O-CG 3.12Å; P94-K98 PolarHBondContact O-N 3.28Å; P94-K98 VanDerWaalsContact O-N 3.15Å; P94-Y149 HydrophobicContact CG-CD1 3.89Å; P94-Y149 HydrophobicContact CG-CE1 4.32Å |
| 95 | W | 93.5 | Very high | 91.6 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.2 | -46.2 | 177.2 | -174.9 | 89.4 | 0 | 0 | 0 | 111 | V70 P71 P91 P92 I93 L97 K98 Q99 | V70-W95 HydrophobicContact CB-CH2 3.96Å; V70-W95 HydrophobicContact CB-CZ2 4.04Å; V70-W95 HydrophobicContact CB-CZ3 4.47Å; V70-W95 HydrophobicContact CG1-CD2 4.3Å; V70-W95 HydrophobicContact CG1-CE3 3.96Å; V70-W95 HydrophobicContact CG1-CH2 3.58Å; V70-W95 HydrophobicContact CG1-CZ2 3.91Å; V70-W95 HydrophobicContact CG1-CZ3 3.59Å; V70-W95 HydrophobicContact CG2-CH2 3.31Å; V70-W95 HydrophobicContact CG2-CZ2 3.56Å; V70-W95 HydrophobicContact CG2-CZ3 4.15Å; P71-W95 VanDerWaalsContact CD-CE2 3.49Å; P71-W95 HydrophobicContact CG-CB 4.05Å; P71-W95 HydrophobicContact CG-CD2 4.1Å; P71-W95 HydrophobicContact CG-CG 3.55Å; P91-W95 HydrophobicContact CB-CD2 4.5Å; P91-W95 HydrophobicContact CB-CE3 3.73Å; P91-W95 HydrophobicContact CB-CZ3 4.23Å; P91-W95 HydrophobicContact CG-CE3 4.36Å; P91-W95 HydrophobicContact CG-CZ3 4.38Å; P92-W95 WeakPolarHBondContact O-CB 3.26Å; P92-W95 PolarHBondContact O-N 3.09Å; I93-W95 PolarHBondContact O-N 3.2Å; W95-L97 VanDerWaalsContact C-N 3.33Å; W95-L97 PolarHBondContact O-N 2.78Å; W95-K98 PolarHBondContact O-N 3.49Å; W95-Q99 HydrophobicContact CD2-CG 4.06Å; W95-Q99 HydrophobicContact CE3-CG 4.06Å; W95-Q99 HydrophobicContact CH2-CG 3.6Å; W95-Q99 HydrophobicContact CZ2-CG 3.6Å; W95-Q99 HydrophobicContact CZ3-CG 3.85Å; W95-Q99 WeakPolarHBondContact O-CG 3.14Å; W95-Q99 PolarHBondContact O-N 3.47Å |
| 96 | L | 94.2 | Very high | 91.3 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.6 | -67.7 | 170.2 | 0 | 0 | 0 | 112.2 | P91 P92 I93 Q99 A100 I124 | P91-L96 HydrophobicContact CB-CD2 4.22Å; P91-L96 HydrophobicContact CB-CG 4.19Å; P91-L96 HydrophobicContact CG-CD2 4.45Å; P92-L96 PolarHBondContact O-N 3.39Å; P92-L96 VanDerWaalsContact O-N 3.15Å; I93-L96 PolarHBondContact O-N 3.18Å; L96-Q99 PolarHBondContact O-N 3.14Å; L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 3.43Å; L96-I124 HydrophobicContact CB-CD1 4.3Å; L96-I124 HydrophobicContact CB-CG1 4.23Å; L96-I124 HydrophobicContact CB-CG2 4.17Å; L96-I124 HydrophobicContact CD1-CG2 4.07Å |
| 97 | L | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.7 | -77.5 | 171.8 | 0 | 0 | 0 | 112.4 | I93 W95 Q99 A100 A101 I124 V146 A150 I155 | I93-L97 HydrophobicContact CG2-CD1 3.53Å; I93-L97 HydrophobicContact CG2-CG 3.98Å; I93-L97 WeakPolarHBondContact O-CB 3.44Å; I93-L97 WeakPolarHBondContact O-CG 3.34Å; I93-L97 PolarHBondContact O-N 3.47Å; W95-L97 VanDerWaalsContact C-N 3.33Å; W95-L97 PolarHBondContact O-N 2.78Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-A100 PolarHBondContact O-N 3.13Å; L97-A101 WeakPolarHBondContact O-CB 3.41Å; L97-A101 PolarHBondContact O-N 3.46Å; L97-I124 HydrophobicContact CD2-CD1 3.71Å; L97-I124 HydrophobicContact CG-CD1 4.17Å; L97-V146 HydrophobicContact CD1-CG1 4.4Å; L97-V146 HydrophobicContact CD2-CG1 3.93Å; L97-V146 HydrophobicContact CG-CG1 4.36Å; L97-A150 HydrophobicContact CD1-CB 3.99Å; L97-A150 HydrophobicContact CD2-CB 4.28Å; L97-I155 HydrophobicContact CB-CD1 3.78Å |
| 98 | K | 93.2 | Very high | 90.5 | Very high | 61 Ų | 61 | 45 Ų | 45 | 27% | 0.265 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.6 | -77.7 | 175.4 | -177.7 | -174.8 | 0 | 112 | P94 W95 A101 G102 I103 | P94-K98 WeakPolarHBondContact O-CB 3.44Å; P94-K98 WeakPolarHBondContact O-CD 3.38Å; P94-K98 WeakPolarHBondContact O-CG 3.12Å; P94-K98 PolarHBondContact O-N 3.28Å; P94-K98 VanDerWaalsContact O-N 3.15Å; W95-K98 PolarHBondContact O-N 3.49Å; K98-A101 PolarHBondContact O-N 3.45Å; K98-G102 PolarHBondContact O-N 3.37Å; K98-I103 HydrophobicContact CB-CG1 4.03Å; K98-I103 WeakPolarHBondContact CB-O 3.46Å; K98-I103 HydrophobicContact CG-CD1 4.13Å; K98-I103 HydrophobicContact CG-CG1 3.83Å; K98-I103 PolarHBondContact O-N 2.84Å |
| 99 | Q | 92.6 | Very high | 90 | Very high | 116 Ų | 116 | 48.1 Ų | 48.1 | 54% | 0.542 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 174.1 | -70.5 | -61.8 | -31.7 | 0 | 0 | 111.9 | W95 L96 L97 A101 G102 | W95-Q99 HydrophobicContact CD2-CG 4.06Å; W95-Q99 HydrophobicContact CE3-CG 4.06Å; W95-Q99 HydrophobicContact CH2-CG 3.6Å; W95-Q99 HydrophobicContact CZ2-CG 3.6Å; W95-Q99 HydrophobicContact CZ3-CG 3.85Å; W95-Q99 WeakPolarHBondContact O-CG 3.14Å; W95-Q99 PolarHBondContact O-N 3.47Å; L96-Q99 PolarHBondContact O-N 3.14Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-A101 VanDerWaalsContact C-N 3.28Å; Q99-A101 PolarHBondContact O-N 3.13Å; Q99-G102 PolarHBondContact O-N 3.1Å; Q99-G102 VanDerWaalsContact O-N 3.14Å |
| 100 | A | 93.1 | Very high | 89.6 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 34% | 0.339 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -33.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L96 L97 V116 I124 | L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 3.43Å; L97-A100 PolarHBondContact O-N 3.13Å; A100-V116 HydrophobicContact CB-CG2 4.47Å; A100-I124 HydrophobicContact CB-CD1 4.19Å |
| 101 | A | 93 | Very high | 89.4 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -83.3 | -15.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L97 K98 Q99 I103 V116 I155 Y166 | L97-A101 WeakPolarHBondContact O-CB 3.41Å; L97-A101 PolarHBondContact O-N 3.46Å; K98-A101 PolarHBondContact O-N 3.45Å; Q99-A101 VanDerWaalsContact C-N 3.28Å; Q99-A101 PolarHBondContact O-N 3.13Å; A101-I103 HydrophobicContact CB-CD1 4.26Å; A101-I103 HydrophobicContact CB-CG1 4.08Å; A101-I103 HydrophobicContact CB-CG2 3.97Å; A101-V116 HydrophobicContact CB-CG2 3.76Å; A101-I155 HydrophobicContact CB-CD1 4.2Å; A101-Y166 PolarHBondContact O-OH 2.88Å |
| 102 | G | 90 | Very high | 89.2 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 26.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K98 Q99 | K98-G102 PolarHBondContact O-N 3.37Å; Q99-G102 PolarHBondContact O-N 3.1Å; Q99-G102 VanDerWaalsContact O-N 3.14Å |
| 103 | I | 89.7 | Confident | 89.1 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | trans | -108.7 | 139.9 | -175.2 | 70.3 | 177.3 | 0 | 0 | 0 | 111.3 | K98 A101 S113 I155 L170 | K98-I103 HydrophobicContact CB-CG1 4.03Å; K98-I103 WeakPolarHBondContact CB-O 3.46Å; K98-I103 HydrophobicContact CG-CD1 4.13Å; K98-I103 HydrophobicContact CG-CG1 3.83Å; K98-I103 PolarHBondContact O-N 2.84Å; A101-I103 HydrophobicContact CB-CD1 4.26Å; A101-I103 HydrophobicContact CB-CG1 4.08Å; A101-I103 HydrophobicContact CB-CG2 3.97Å; I103-S113 WeakPolarHBondContact CD1-OG 3.3Å; I103-S113 VanDerWaalsContact CG2-O 3.26Å; I103-S113 WeakPolarHBondContact CG2-O 3.44Å; I103-I155 HydrophobicContact CD1-CD1 3.9Å; I103-I155 HydrophobicContact CD1-CG1 3.89Å; I103-L170 HydrophobicContact CG2-CD2 3.92Å | ||
| 104 | S | 86.6 | Confident | 89 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 67% | 0.671 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -85.3 | -42.8 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 105 | K | 85.7 | Confident | 89.1 | Confident | 105 Ų | 105 | 50.4 Ų | 50.4 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -114 | 144.8 | -178.7 | -60.1 | -63.6 | -176.4 | 179.3 | 0 | 110.5 | F108 V177 | K105-F108 HydrophobicContact CB-CE2 3.86Å; K105-F108 HydrophobicContact CB-CZ 4.23Å; K105-F108 HydrophobicContact CG-CE2 4.41Å; K105-F108 HydrophobicContact CG-CZ 4.36Å; K105-V177 HydrophobicContact CB-CG1 4.43Å; K105-V177 HydrophobicContact CG-CG1 4.13Å |
| 106 | G | 85.9 | Confident | 89.2 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | trans | -78.1 | -167.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 107 | S | 86.7 | Confident | 89.2 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | trans | -64.6 | 139.1 | 173 | -168.7 | 0 | 0 | 0 | 0 | 112.2 | G110 D111 C153 | S107-G110 WeakPolarHBondContact OG-CA 3.43Å; S107-G110 PolarHBondContact OG-N 3.48Å; S107-D111 VanDerWaalsContact CB-O 3.26Å; S107-D111 WeakPolarHBondContact CB-O 3.21Å; S107-D111 PolarHBondContact OG-N 3.25Å; S107-D111 PolarHBondContact OG-O 3.17Å; S107-C153 WeakPolarHBondContact CB-O 3.28Å; S107-C153 PolarHBondContact N-O 3.24Å | ||
| 108 | F | 78 | Confident | 89.2 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -98.2 | -39.7 | 175.2 | -75.4 | -94.6 | 0 | 0 | 0 | 111.6 | K105 V177 L184 | K105-F108 HydrophobicContact CB-CE2 3.86Å; K105-F108 HydrophobicContact CB-CZ 4.23Å; K105-F108 HydrophobicContact CG-CE2 4.41Å; K105-F108 HydrophobicContact CG-CZ 4.36Å; F108-V177 HydrophobicContact CE2-CG1 4.47Å; F108-L184 HydrophobicContact CE1-CD1 4.2Å |
| 109 | H | 80.2 | Confident | 89.3 | Confident | 139 Ų | 139 | 55.4 Ų | 55.4 | 64% | 0.644 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -130.3 | 22.3 | -174.9 | -67.2 | -63.3 | 0 | 0 | 0 | 114.4 | ||
| 110 | G | 80.9 | Confident | 89.4 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 71% | 0.711 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 89.5 | 2.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S107 | S107-G110 WeakPolarHBondContact OG-CA 3.43Å; S107-G110 PolarHBondContact OG-N 3.48Å |
| 111 | D | 86.9 | Confident | 89.5 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | trans | -59.4 | 151.6 | 172.4 | -45.6 | -40.5 | 0 | 0 | 0 | 112 | S107 S113 R173 | S107-D111 VanDerWaalsContact CB-O 3.26Å; S107-D111 WeakPolarHBondContact CB-O 3.21Å; S107-D111 PolarHBondContact OG-N 3.25Å; S107-D111 PolarHBondContact OG-O 3.17Å; D111-S113 PolarHBondContact O-N 3.2Å; D111-R173 IonicContact OD2-NH1 3.04Å | ||
| 112 | V | 90.1 | Very high | 89.6 | Confident | 47 Ų | 47 | 56.7 Ų | 56.7 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | trans | -69.1 | 118.7 | 168.6 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | G154 E156 F169 | V112-G154 CarbonylContact C-O 3.46Å; V112-G154 WeakPolarHBondContact CA-O 3.44Å; V112-E156 HydrophobicContact CG1-CB 4.44Å; V112-E156 HydrophobicContact CG1-CG 3.82Å; V112-E156 HydrophobicContact CG2-CG 4.11Å; V112-E156 VanDerWaalsContact CG2-OE1 3.23Å; V112-E156 WeakPolarHBondContact CG2-OE1 3.37Å; V112-F169 HydrophobicContact CG1-CZ 4.11Å; V112-F169 WeakPolarHBondContact O-CZ 3.35Å | ||
| 113 | S | 89.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -96.8 | -28.6 | -178.1 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | I103 D111 C153 G154 | I103-S113 WeakPolarHBondContact CD1-OG 3.3Å; I103-S113 VanDerWaalsContact CG2-O 3.26Å; I103-S113 WeakPolarHBondContact CG2-O 3.44Å; D111-S113 PolarHBondContact O-N 3.2Å; S113-C153 PolarHBondContact OG-O 3.33Å; S113-G154 PolarHBondContact N-O 3.11Å; S113-G154 PolarHBondContact OG-O 2.91Å | ||
| 114 | G | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169 | 173.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | I155 E156 | G114-I155 CarbonylContact O-C 3.51Å; G114-I155 VanDerWaalsContact O-CA 3.29Å; G114-I155 WeakPolarHBondContact O-CA 3.24Å; G114-E156 PolarHBondContact O-N 3.49Å |
| 115 | M | 94 | Very high | 90.4 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.3 | 178.7 | -57.4 | 176.7 | -173.1 | 0 | 0 | 109.3 | E156 R158 I161 Y166 F169 | M115-E156 CarbonylContact C-O 3.56Å; M115-E156 WeakPolarHBondContact CA-O 3.44Å; M115-E156 HydrophobicContact CG-CB 4.41Å; M115-R158 VanDerWaalsContact CE-NH2 3.32Å; M115-R158 PolarHBondContact SD-NE 3.03Å; M115-I161 HydrophobicContact CB-CD1 3.87Å; M115-I161 HydrophobicContact CB-CG1 4.46Å; M115-Y166 HydrophobicContact CB-CD2 4.15Å; M115-Y166 HydrophobicContact CB-CE2 3.65Å; M115-Y166 HydrophobicContact CG-CD2 4.36Å; M115-Y166 HydrophobicContact CG-CE2 3.98Å; M115-Y166 PolarHBondContact N-OH 3.04Å; M115-Y166 PolarHBondContact O-OH 3.09Å; M115-Y166 HydrophobicContact SD-CD2 4.25Å; M115-Y166 HydrophobicContact SD-CE2 4.45Å; M115-F169 HydrophobicContact CE-CD2 4.47Å; M115-F169 HydrophobicContact CE-CE2 4.48Å |
| 116 | V | 94.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.9 | -177.9 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | A100 A101 H120 I121 I155 E156 V157 R158 | A100-V116 HydrophobicContact CB-CG2 4.47Å; A101-V116 HydrophobicContact CB-CG2 3.76Å; V116-H120 HydrophobicContact CG1-CB 3.4Å; V116-H120 VanDerWaalsContact CG1-CB 3.4Å; V116-I121 HydrophobicContact CG1-CG1 4.27Å; V116-I155 HydrophobicContact CB-CG2 3.78Å; V116-I155 HydrophobicContact CG2-CG2 3.43Å; V116-I155 VanDerWaalsContact CG2-CG2 3.43Å; V116-E156 PolarHBondContact N-O 3.35Å; V116-V157 CarbonylContact O-C 3.57Å; V116-V157 VanDerWaalsContact O-CA 3.26Å; V116-V157 WeakPolarHBondContact O-CA 3.47Å; V116-R158 PolarHBondContact O-N 3.32Å |
| 117 | T | 95.4 | Very high | 91 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 160.3 | 177.7 | 65.8 | 0 | 0 | 0 | 0 | 113 | K119 H120 I121 R158 I161 | T117-K119 PolarHBondContact O-N 3.47Å; T117-H120 PolarHBondContact O-N 2.77Å; T117-H120 PolarHBondContact OG1-CD2 2.85Å; T117-H120 PolarHBondContact OG1-NE2 3.15Å; T117-I121 PolarHBondContact O-N 3.18Å; T117-R158 VanDerWaalsContact CA-O 3.3Å; T117-R158 WeakPolarHBondContact CA-O 3.48Å; T117-I161 HydrophobicContact CG2-CD1 3.7Å; T117-I161 HydrophobicContact CG2-CG1 3.99Å |
| 118 | L | 94.1 | Very high | 91.2 | Very high | 101 Ų | 101 | 55.4 Ų | 55.4 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.6 | -30 | 172.3 | -72.7 | 173.2 | 0 | 0 | 0 | 112.8 | I121 Y122 V157 | L118-I121 PolarHBondContact O-N 3.22Å; L118-Y122 PolarHBondContact O-N 2.97Å; L118-V157 HydrophobicContact CD2-CG1 3.63Å; L118-V157 HydrophobicContact CG-CG1 4.01Å |
| 119 | K | 95 | Very high | 91.8 | Very high | 139 Ų | 139 | 54.7 Ų | 54.7 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 176.4 | -176.3 | -179.4 | 174.9 | -175 | 0 | 111.4 | T117 I121 Y122 E123 | T117-K119 PolarHBondContact O-N 3.47Å; K119-I121 VanDerWaalsContact C-N 3.31Å; K119-I121 PolarHBondContact O-N 3.22Å; K119-Y122 WeakPolarHBondContact O-CB 3.21Å; K119-Y122 PolarHBondContact O-N 2.91Å; K119-E123 WeakPolarHBondContact CE-OE1 3.19Å; K119-E123 WeakPolarHBondContact O-CG 3.45Å; K119-E123 PolarHBondContact O-N 3.1Å |
| 120 | H | 94.9 | Very high | 92.1 | Very high | 64 Ų | 64 | 54.4 Ų | 54.4 | 30% | 0.296 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 177.7 | -62.1 | -34.6 | 0 | 0 | 0 | 112.2 | V116 T117 Y122 E123 I124 | V116-H120 HydrophobicContact CG1-CB 3.4Å; V116-H120 VanDerWaalsContact CG1-CB 3.4Å; T117-H120 PolarHBondContact O-N 2.77Å; T117-H120 PolarHBondContact OG1-CD2 2.85Å; T117-H120 PolarHBondContact OG1-NE2 3.15Å; H120-Y122 VanDerWaalsContact C-N 3.31Å; H120-Y122 PolarHBondContact O-N 2.91Å; H120-E123 IonicContact ND1-OE2 3.1Å; H120-E123 PolarHBondContact ND1-OE2 3.23Å; H120-E123 PolarHBondContact O-N 3.41Å; H120-I124 WeakPolarHBondContact O-CB 3.46Å; H120-I124 WeakPolarHBondContact O-CG1 3.42Å; H120-I124 PolarHBondContact O-N 2.84Å |
| 121 | I | 95.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 175.3 | -66.2 | 177 | 0 | 0 | 0 | 110.9 | V116 T117 L118 K119 A125 C143 V146 M147 V157 | V116-I121 HydrophobicContact CG1-CG1 4.27Å; T117-I121 PolarHBondContact O-N 3.18Å; L118-I121 PolarHBondContact O-N 3.22Å; K119-I121 VanDerWaalsContact C-N 3.31Å; K119-I121 PolarHBondContact O-N 3.22Å; I121-A125 VanDerWaalsContact O-CB 3.28Å; I121-A125 WeakPolarHBondContact O-CB 3.44Å; I121-A125 PolarHBondContact O-N 3.19Å; I121-C143 HydrophobicContact CG2-CB 4.29Å; I121-V146 HydrophobicContact CB-CG1 4.4Å; I121-V146 HydrophobicContact CG1-CG1 4.37Å; I121-V146 HydrophobicContact CG2-CB 4.08Å; I121-V146 HydrophobicContact CG2-CG1 3.89Å; I121-M147 HydrophobicContact CD1-CG 3.84Å; I121-M147 HydrophobicContact CG2-CG 4.15Å; I121-V157 HydrophobicContact CD1-CB 4.03Å; I121-V157 HydrophobicContact CD1-CG1 3.39Å; I121-V157 HydrophobicContact CD1-CG2 3.41Å; I121-V157 VanDerWaalsContact CD1-CG2 3.41Å |
| 122 | Y | 95.1 | Very high | 92.1 | Very high | 118 Ų | 118 | 53.6 Ų | 53.6 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.8 | 179.9 | -92.2 | 0 | 0 | 0 | 112 | L118 K119 H120 A125 K126 L139 | L118-Y122 PolarHBondContact O-N 2.97Å; K119-Y122 WeakPolarHBondContact O-CB 3.21Å; K119-Y122 PolarHBondContact O-N 2.91Å; H120-Y122 VanDerWaalsContact C-N 3.31Å; H120-Y122 PolarHBondContact O-N 2.91Å; Y122-A125 PolarHBondContact O-N 3.31Å; Y122-K126 WeakPolarHBondContact O-CB 3.33Å; Y122-K126 PolarHBondContact O-N 3.22Å; Y122-L139 HydrophobicContact CD2-CD2 4.15Å; Y122-L139 HydrophobicContact CE2-CD2 3.34Å; Y122-L139 HydrophobicContact CE2-CG 4.22Å |
| 123 | E | 94.8 | Very high | 91.4 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 41% | 0.407 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 176.8 | -72.1 | 167.3 | 173 | 0 | 0 | 111.6 | K119 H120 A125 K126 V127 | K119-E123 WeakPolarHBondContact CE-OE1 3.19Å; K119-E123 WeakPolarHBondContact O-CG 3.45Å; K119-E123 PolarHBondContact O-N 3.1Å; H120-E123 IonicContact ND1-OE2 3.1Å; H120-E123 PolarHBondContact ND1-OE2 3.23Å; H120-E123 PolarHBondContact O-N 3.41Å; E123-A125 VanDerWaalsContact C-N 3.31Å; E123-A125 PolarHBondContact O-N 2.98Å; E123-K126 PolarHBondContact O-N 3.21Å; E123-V127 WeakPolarHBondContact O-CG2 3.15Å; E123-V127 PolarHBondContact O-N 3.03Å |
| 124 | I | 95 | Very high | 90.7 | Very high | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 176.1 | -68.2 | 167.9 | 0 | 0 | 0 | 110.7 | L96 L97 A100 H120 K126 V127 K128 V146 | L96-I124 HydrophobicContact CB-CD1 4.3Å; L96-I124 HydrophobicContact CB-CG1 4.23Å; L96-I124 HydrophobicContact CB-CG2 4.17Å; L96-I124 HydrophobicContact CD1-CG2 4.07Å; L97-I124 HydrophobicContact CD2-CD1 3.71Å; L97-I124 HydrophobicContact CG-CD1 4.17Å; A100-I124 HydrophobicContact CB-CD1 4.19Å; H120-I124 WeakPolarHBondContact O-CB 3.46Å; H120-I124 WeakPolarHBondContact O-CG1 3.42Å; H120-I124 PolarHBondContact O-N 2.84Å; I124-K126 VanDerWaalsContact C-N 3.34Å; I124-K126 PolarHBondContact O-N 3.42Å; I124-V127 PolarHBondContact O-N 2.86Å; I124-K128 VanDerWaalsContact O-CB 3.29Å; I124-K128 WeakPolarHBondContact O-CB 3.49Å; I124-K128 PolarHBondContact O-N 3.43Å; I124-V146 HydrophobicContact CB-CG1 4.41Å; I124-V146 HydrophobicContact CG2-CG1 4.02Å; I124-V146 HydrophobicContact CG2-CG2 4.02Å |
| 125 | A | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | I121 Y122 E123 K128 Q129 L139 L142 V146 | I121-A125 VanDerWaalsContact O-CB 3.28Å; I121-A125 WeakPolarHBondContact O-CB 3.44Å; I121-A125 PolarHBondContact O-N 3.19Å; Y122-A125 PolarHBondContact O-N 3.31Å; E123-A125 VanDerWaalsContact C-N 3.31Å; E123-A125 PolarHBondContact O-N 2.98Å; A125-K128 PolarHBondContact O-N 3.42Å; A125-Q129 WeakPolarHBondContact O-CB 3.44Å; A125-Q129 PolarHBondContact O-N 3.26Å; A125-L139 HydrophobicContact CB-CD1 3.82Å; A125-L142 HydrophobicContact CB-CB 4.04Å; A125-V146 HydrophobicContact CB-CG2 4.37Å |
| 126 | K | 92.6 | Very high | 89.1 | Confident | 118 Ų | 118 | 65.1 Ų | 65.1 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 177.2 | -172.3 | 176.4 | -178.2 | 179.2 | 0 | 111.9 | Y122 E123 I124 K128 Q129 | Y122-K126 WeakPolarHBondContact O-CB 3.33Å; Y122-K126 PolarHBondContact O-N 3.22Å; E123-K126 PolarHBondContact O-N 3.21Å; I124-K126 VanDerWaalsContact C-N 3.34Å; I124-K126 PolarHBondContact O-N 3.42Å; K126-K128 VanDerWaalsContact C-N 3.33Å; K126-K128 PolarHBondContact O-N 3.42Å; K126-Q129 WeakPolarHBondContact O-CB 3.25Å; K126-Q129 PolarHBondContact O-N 2.79Å |
| 127 | V | 91.7 | Very high | 88.6 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 110 | T90 E123 I124 Q129 Q130 | T90-V127 HydrophobicContact CG2-CG1 3.97Å; E123-V127 WeakPolarHBondContact O-CG2 3.15Å; E123-V127 PolarHBondContact O-N 3.03Å; I124-V127 PolarHBondContact O-N 2.86Å; V127-Q129 PolarHBondContact O-N 2.84Å; V127-Q130 WeakPolarHBondContact O-CB 3.39Å; V127-Q130 PolarHBondContact O-N 2.9Å |
| 128 | K | 90.7 | Very high | 88.3 | Confident | 19 Ų | 19 | 70 Ų | 70 | 8% | 0.083 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.8 | -17.8 | -179 | -157.7 | 72.7 | -176.8 | 100.3 | 0 | 114.1 | T90 I93 I124 A125 K126 D131 | T90-K128 WeakPolarHBondContact OG1-CD 3.33Å; T90-K128 PolarHBondContact OG1-NZ 3.4Å; I93-K128 HydrophobicContact CD1-CG 4.47Å; I93-K128 HydrophobicContact CG1-CD 4.15Å; I93-K128 HydrophobicContact CG1-CG 4.31Å; I124-K128 VanDerWaalsContact O-CB 3.29Å; I124-K128 WeakPolarHBondContact O-CB 3.49Å; I124-K128 PolarHBondContact O-N 3.43Å; A125-K128 PolarHBondContact O-N 3.42Å; K126-K128 VanDerWaalsContact C-N 3.33Å; K126-K128 PolarHBondContact O-N 3.42Å; K128-D131 WeakPolarHBondContact CD-OD2 3.42Å; K128-D131 WeakPolarHBondContact CE-OD2 3.5Å; K128-D131 IonicContact NZ-OD2 2.53Å; K128-D131 PolarHBondContact NZ-OD2 3.46Å; K128-D131 VanDerWaalsContact O-OD2 3.11Å |
| 129 | Q | 89.8 | Confident | 88.2 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73.1 | -21.1 | 176.6 | -166.5 | 170.6 | 25 | 0 | 0 | 112.2 | A125 K126 V127 D131 L137 L142 | A125-Q129 WeakPolarHBondContact O-CB 3.44Å; A125-Q129 PolarHBondContact O-N 3.26Å; K126-Q129 WeakPolarHBondContact O-CB 3.25Å; K126-Q129 PolarHBondContact O-N 2.79Å; V127-Q129 PolarHBondContact O-N 2.84Å; Q129-D131 PolarHBondContact O-N 2.84Å; Q129-L137 PolarHBondContact NE2-O 2.86Å; Q129-L142 HydrophobicContact CB-CD1 3.52Å; Q129-L142 HydrophobicContact CG-CD1 3.66Å |
| 130 | Q | 87.8 | Confident | 88 | Confident | 133 Ų | 133 | 68.3 Ų | 68.3 | 62% | 0.621 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -12.5 | 179.5 | -61.5 | 173.7 | -12.1 | 0 | 0 | 113.1 | V127 | V127-Q130 WeakPolarHBondContact O-CB 3.39Å; V127-Q130 PolarHBondContact O-N 2.9Å |
| 131 | D | 87.6 | Confident | 87.9 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.043 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -73.9 | 134.4 | 179.7 | -57 | -47.7 | 0 | 0 | 0 | 112.6 | T89 T90 K128 Q129 V133 R134 M135 | T89-D131 HydrophobicContact CG2-CB 4.12Å; T89-D131 WeakPolarHBondContact CG2-OD1 3.45Å; T90-D131 VanDerWaalsContact CB-OD1 3.29Å; T90-D131 WeakPolarHBondContact CB-OD1 3.26Å; T90-D131 VanDerWaalsContact CG2-OD1 3.24Å; T90-D131 WeakPolarHBondContact CG2-OD1 3.33Å; T90-D131 PolarHBondContact N-OD1 3.36Å; T90-D131 PolarHBondContact OG1-OD1 3.32Å; T90-D131 PolarHBondContact OG1-OD2 3.39Å; K128-D131 WeakPolarHBondContact CD-OD2 3.42Å; K128-D131 WeakPolarHBondContact CE-OD2 3.5Å; K128-D131 IonicContact NZ-OD2 2.53Å; K128-D131 PolarHBondContact NZ-OD2 3.46Å; K128-D131 VanDerWaalsContact O-OD2 3.11Å; Q129-D131 PolarHBondContact O-N 2.84Å; D131-V133 PolarHBondContact O-N 3.49Å; D131-R134 CarbonylContact O-C 3.58Å; D131-R134 PolarHBondContact O-N 3.22Å; D131-M135 PolarHBondContact O-N 3.32Å; D131-M135 VanDerWaalsContact O-N 3.09Å |
| 132 | D | 79 | Confident | 87.8 | Confident | 103 Ų | 103 | 72.7 Ų | 72.7 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -48.7 | -39.2 | 173.4 | -65.1 | -15.3 | 0 | 0 | 0 | 113.5 | R134 M135 | D132-R134 PolarHBondContact O-N 3.07Å; D132-M135 PolarHBondContact O-N 2.99Å |
| 133 | V | 75.7 | Confident | 87.7 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -65.7 | -24.3 | -177.5 | -168.8 | 0 | 0 | 0 | 0 | 112.3 | R75 D131 | R75-V133 VanDerWaalsContact NH2-CG1 3.26Å; D131-V133 PolarHBondContact O-N 3.49Å |
| 134 | R | 76.3 | Confident | 87.7 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 16% | 0.158 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -118.4 | 8.3 | -174.4 | -66.4 | -129.8 | -93.1 | -164.4 | -18.8 | 113.3 | D131 D132 G136 L137 | D131-R134 CarbonylContact O-C 3.58Å; D131-R134 PolarHBondContact O-N 3.22Å; D132-R134 PolarHBondContact O-N 3.07Å; R134-G136 PolarHBondContact O-N 3.42Å; R134-L137 HydrophobicContact CB-CD1 3.99Å; R134-L137 HydrophobicContact CG-CD1 4.28Å; R134-L137 WeakPolarHBondContact O-CD1 3.21Å; R134-L137 PolarHBondContact O-N 3.23Å |
| 135 | M | 72.9 | Confident | 87.6 | Confident | 119 Ų | 119 | 70.5 Ų | 70.5 | 59% | 0.586 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 130.4 | 168.9 | -71.9 | -66.5 | -145.6 | 0 | 0 | 109.9 | D131 D132 | D131-M135 PolarHBondContact O-N 3.32Å; D131-M135 VanDerWaalsContact O-N 3.09Å; D132-M135 PolarHBondContact O-N 2.99Å |
| 136 | G | 78 | Confident | 87.6 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 83% | 0.825 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -7.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R134 | R134-G136 PolarHBondContact O-N 3.42Š|
| 137 | L | 85 | Confident | 87.8 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | trans | -73.8 | 133.8 | 169.8 | -79.5 | 105.8 | 0 | 0 | 0 | 110.9 | Q129 R134 R141 L142 | Q129-L137 PolarHBondContact NE2-O 2.86Å; R134-L137 HydrophobicContact CB-CD1 3.99Å; R134-L137 HydrophobicContact CG-CD1 4.28Å; R134-L137 WeakPolarHBondContact O-CD1 3.21Å; R134-L137 PolarHBondContact O-N 3.23Å; L137-R141 HydrophobicContact CD2-CG 4.13Å; L137-L142 HydrophobicContact CB-CD2 4.21Å; L137-L142 HydrophobicContact CB-CG 4.2Å | ||
| 138 | P | 90.4 | Very high | 87.9 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 53% | 0.532 | 36% | 0.36 | S | S | . | . | trans | -65.5 | 141.1 | 174.2 | 27.2 | -33.3 | 0 | 0 | 0 | 109.9 | K140 R141 L142 | P138-K140 PolarHBondContact O-N 3.39Å; P138-K140 VanDerWaalsContact O-N 3.11Å; P138-R141 HydrophobicContact CG-CB 3.94Å; P138-R141 WeakPolarHBondContact O-CB 3.43Å; P138-R141 PolarHBondContact O-N 2.91Å; P138-L142 PolarHBondContact O-N 3.45Å | ||
| 139 | L | 90.3 | Very high | 88.1 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -54.9 | -35.9 | -176.4 | -175.1 | 57.4 | 0 | 0 | 0 | 112.6 | Y122 A125 R141 L142 C143 | Y122-L139 HydrophobicContact CD2-CD2 4.15Å; Y122-L139 HydrophobicContact CE2-CD2 3.34Å; Y122-L139 HydrophobicContact CE2-CG 4.22Å; A125-L139 HydrophobicContact CB-CD1 3.82Å; L139-R141 VanDerWaalsContact C-N 3.31Å; L139-R141 PolarHBondContact O-N 3.34Å; L139-L142 WeakPolarHBondContact O-CB 3.49Å; L139-L142 PolarHBondContact O-N 3.18Å; L139-L142 VanDerWaalsContact O-N 3.12Å; L139-C143 PolarHBondContact O-N 3.38Å; L139-C143 PolarHBondContact O-SG 3.21Å; L139-C143 VanDerWaalsContact O-SG 3.35Å |
| 140 | K | 92.4 | Very high | 88.3 | Confident | 164 Ų | 164 | 68.3 Ų | 68.3 | 71% | 0.713 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -55.1 | -42.8 | 174.2 | -174.8 | 176.6 | 179.9 | 179 | 0 | 112.8 | P138 C143 Q144 | P138-K140 PolarHBondContact O-N 3.39Å; P138-K140 VanDerWaalsContact O-N 3.11Å; K140-C143 PolarHBondContact O-N 3.41Å; K140-Q144 WeakPolarHBondContact O-CG 3.42Å; K140-Q144 PolarHBondContact O-N 3.47Å; K140-Q144 VanDerWaalsContact O-N 3.09Å |
| 141 | R | 92.6 | Very high | 88.6 | Confident | 156 Ų | 156 | 72.3 Ų | 72.3 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -72.5 | -32.3 | 179.5 | -173.1 | 167.4 | 179.1 | 176.1 | 3.7 | 111.6 | L137 P138 L139 T145 | L137-R141 HydrophobicContact CD2-CG 4.13Å; P138-R141 HydrophobicContact CG-CB 3.94Å; P138-R141 WeakPolarHBondContact O-CB 3.43Å; P138-R141 PolarHBondContact O-N 2.91Å; L139-R141 VanDerWaalsContact C-N 3.31Å; L139-R141 PolarHBondContact O-N 3.34Å; R141-T145 PolarHBondContact O-N 3.2Å; R141-T145 PolarHBondContact O-OG1 2.95Å |
| 142 | L | 91.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 172 | -67.9 | 176.8 | 0 | 0 | 0 | 111.2 | A125 Q129 L137 P138 L139 Q144 T145 V146 | A125-L142 HydrophobicContact CB-CB 4.04Å; Q129-L142 HydrophobicContact CB-CD1 3.52Å; Q129-L142 HydrophobicContact CG-CD1 3.66Å; L137-L142 HydrophobicContact CB-CD2 4.21Å; L137-L142 HydrophobicContact CB-CG 4.2Å; P138-L142 PolarHBondContact O-N 3.45Å; L139-L142 WeakPolarHBondContact O-CB 3.49Å; L139-L142 PolarHBondContact O-N 3.18Å; L139-L142 VanDerWaalsContact O-N 3.12Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 3.04Å; L142-T145 WeakPolarHBondContact O-CB 3.45Å; L142-T145 PolarHBondContact O-N 3.41Å; L142-T145 VanDerWaalsContact O-N 3.07Å; L142-V146 WeakPolarHBondContact O-CG2 3.47Å; L142-V146 PolarHBondContact O-N 3.49Å |
| 143 | C | 93.8 | Very high | 89.3 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.8 | -43.6 | 174.9 | -64.7 | 0 | 0 | 0 | 0 | 112 | I121 L139 K140 T145 V146 M147 | I121-C143 HydrophobicContact CG2-CB 4.29Å; L139-C143 PolarHBondContact O-N 3.38Å; L139-C143 PolarHBondContact O-SG 3.21Å; L139-C143 VanDerWaalsContact O-SG 3.35Å; K140-C143 PolarHBondContact O-N 3.41Å; C143-T145 VanDerWaalsContact C-N 3.31Å; C143-T145 PolarHBondContact O-N 3.01Å; C143-V146 PolarHBondContact O-N 2.78Å; C143-M147 WeakPolarHBondContact O-CG 3.27Å; C143-M147 PolarHBondContact O-N 2.97Å |
| 144 | Q | 94.2 | Very high | 90.1 | Very high | 106 Ų | 106 | 70.6 Ų | 70.6 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 174.1 | -73.5 | 174.1 | -17.9 | 0 | 0 | 112.7 | K140 L142 M147 G148 | K140-Q144 WeakPolarHBondContact O-CG 3.42Å; K140-Q144 PolarHBondContact O-N 3.47Å; K140-Q144 VanDerWaalsContact O-N 3.09Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 3.04Å; Q144-M147 HydrophobicContact CB-CE 4.37Å; Q144-M147 HydrophobicContact CG-CE 3.98Å; Q144-M147 PolarHBondContact O-N 3.49Å; Q144-G148 PolarHBondContact O-N 2.92Å |
| 145 | T | 93.4 | Very high | 91 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | I93 R141 L142 C143 G148 Y149 | I93-T145 HydrophobicContact CD1-CG2 4.18Å; R141-T145 PolarHBondContact O-N 3.2Å; R141-T145 PolarHBondContact O-OG1 2.95Å; L142-T145 WeakPolarHBondContact O-CB 3.45Å; L142-T145 PolarHBondContact O-N 3.41Å; L142-T145 VanDerWaalsContact O-N 3.07Å; C143-T145 VanDerWaalsContact C-N 3.31Å; C143-T145 PolarHBondContact O-N 3.01Å; T145-G148 PolarHBondContact O-N 3.39Å; T145-Y149 HydrophobicContact CG2-CD2 3.93Å; T145-Y149 HydrophobicContact CG2-CE2 3.61Å; T145-Y149 WeakPolarHBondContact O-CD2 3.29Å; T145-Y149 PolarHBondContact O-N 3.36Å; T145-Y149 VanDerWaalsContact O-N 3.1Å |
| 146 | V | 94.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | I93 L97 I121 I124 A125 L142 C143 G148 Y149 A150 | I93-V146 HydrophobicContact CD1-CG2 3.86Å; I93-V146 HydrophobicContact CG1-CG2 4.31Å; I93-V146 HydrophobicContact CG2-CB 4.49Å; I93-V146 HydrophobicContact CG2-CG1 4.24Å; I93-V146 HydrophobicContact CG2-CG2 4.29Å; L97-V146 HydrophobicContact CD1-CG1 4.4Å; L97-V146 HydrophobicContact CD2-CG1 3.93Å; L97-V146 HydrophobicContact CG-CG1 4.36Å; I121-V146 HydrophobicContact CB-CG1 4.4Å; I121-V146 HydrophobicContact CG1-CG1 4.37Å; I121-V146 HydrophobicContact CG2-CB 4.08Å; I121-V146 HydrophobicContact CG2-CG1 3.89Å; I124-V146 HydrophobicContact CB-CG1 4.41Å; I124-V146 HydrophobicContact CG2-CG1 4.02Å; I124-V146 HydrophobicContact CG2-CG2 4.02Å; A125-V146 HydrophobicContact CB-CG2 4.37Å; L142-V146 WeakPolarHBondContact O-CG2 3.47Å; L142-V146 PolarHBondContact O-N 3.49Å; C143-V146 PolarHBondContact O-N 2.78Å; V146-G148 VanDerWaalsContact C-N 3.31Å; V146-G148 PolarHBondContact O-N 2.9Å; V146-Y149 PolarHBondContact O-N 3.47Å; V146-A150 PolarHBondContact O-N 3.36Å |
| 147 | M | 94.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 65.5 Ų | 65.5 | 36% | 0.36 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 173.1 | -74.1 | -173.2 | -65 | 0 | 0 | 112.3 | I121 C143 Q144 A150 R151 | I121-M147 HydrophobicContact CD1-CG 3.84Å; I121-M147 HydrophobicContact CG2-CG 4.15Å; C143-M147 WeakPolarHBondContact O-CG 3.27Å; C143-M147 PolarHBondContact O-N 2.97Å; Q144-M147 HydrophobicContact CB-CE 4.37Å; Q144-M147 HydrophobicContact CG-CE 3.98Å; Q144-M147 PolarHBondContact O-N 3.49Å; M147-A150 PolarHBondContact O-N 3.01Å; M147-R151 PolarHBondContact O-N 3.45Å |
| 148 | G | 94.9 | Very high | 93 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q144 T145 V146 R151 T152 | Q144-G148 PolarHBondContact O-N 2.92Å; T145-G148 PolarHBondContact O-N 3.39Å; V146-G148 VanDerWaalsContact C-N 3.31Å; V146-G148 PolarHBondContact O-N 2.9Å; G148-R151 PolarHBondContact O-N 2.98Å; G148-T152 PolarHBondContact O-N 3.11Å; G148-T152 VanDerWaalsContact O-N 3.09Å; G148-T152 PolarHBondContact O-OG1 3.34Å |
| 149 | Y | 94.1 | Very high | 93.1 | Very high | 103 Ų | 103 | 72.1 Ų | 72.1 | 40% | 0.404 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 175.5 | -77.8 | -71.9 | 0 | 0 | 0 | 113.1 | I93 P94 T145 V146 R151 T152 C153 | I93-Y149 HydrophobicContact CB-CD2 3.92Å; I93-Y149 HydrophobicContact CB-CE2 4.4Å; I93-Y149 HydrophobicContact CB-CG 4.16Å; I93-Y149 HydrophobicContact CD1-CD2 3.58Å; I93-Y149 HydrophobicContact CD1-CE2 3.69Å; I93-Y149 HydrophobicContact CG1-CD2 4.36Å; I93-Y149 HydrophobicContact CG2-CD2 3.74Å; I93-Y149 HydrophobicContact CG2-CG 3.79Å; P94-Y149 HydrophobicContact CG-CD1 3.89Å; P94-Y149 HydrophobicContact CG-CE1 4.32Å; T145-Y149 HydrophobicContact CG2-CD2 3.93Å; T145-Y149 HydrophobicContact CG2-CE2 3.61Å; T145-Y149 WeakPolarHBondContact O-CD2 3.29Å; T145-Y149 PolarHBondContact O-N 3.36Å; T145-Y149 VanDerWaalsContact O-N 3.1Å; V146-Y149 PolarHBondContact O-N 3.47Å; Y149-R151 VanDerWaalsContact C-N 3.34Å; Y149-T152 PolarHBondContact O-N 3.09Å; Y149-C153 PolarHBondContact O-N 2.76Å; Y149-C153 PolarHBondContact O-SG 3.07Å |
| 150 | A | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | L97 V146 M147 T152 C153 G154 I155 V157 | L97-A150 HydrophobicContact CD1-CB 3.99Å; L97-A150 HydrophobicContact CD2-CB 4.28Å; V146-A150 PolarHBondContact O-N 3.36Å; M147-A150 PolarHBondContact O-N 3.01Å; A150-T152 PolarHBondContact O-N 3.39Å; A150-C153 PolarHBondContact O-N 2.94Å; A150-C153 VanDerWaalsContact O-N 3.08Å; A150-G154 PolarHBondContact O-N 3.38Å; A150-G154 VanDerWaalsContact O-N 3.14Å; A150-I155 CarbonylContact C-O 3.58Å; A150-I155 HydrophobicContact CB-CB 4.12Å; A150-I155 HydrophobicContact CB-CG2 4.34Å; A150-I155 PolarHBondContact O-N 3.42Å; A150-V157 HydrophobicContact CB-CG2 4.42Å |
| 151 | R | 93.1 | Very high | 92.9 | Very high | 216 Ų | 216 | 71.2 Ų | 71.2 | 82% | 0.815 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.7 | -45.8 | 175.4 | -173.2 | 178.7 | 179.8 | 174.3 | 1.1 | 112.6 | M147 G148 Y149 C153 G154 | M147-R151 PolarHBondContact O-N 3.45Å; G148-R151 PolarHBondContact O-N 2.98Å; Y149-R151 VanDerWaalsContact C-N 3.34Å; R151-C153 VanDerWaalsContact C-N 3.26Å; R151-C153 PolarHBondContact O-N 2.9Å; R151-G154 PolarHBondContact O-N 3.4Å |
| 152 | T | 91.9 | Very high | 92.9 | Very high | 117 Ų | 117 | 68.5 Ų | 68.5 | 72% | 0.718 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.8 | -31.4 | 177.5 | -55.5 | 0 | 0 | 0 | 0 | 112.6 | G148 Y149 A150 G154 | G148-T152 PolarHBondContact O-N 3.11Å; G148-T152 VanDerWaalsContact O-N 3.09Å; G148-T152 PolarHBondContact O-OG1 3.34Å; Y149-T152 PolarHBondContact O-N 3.09Å; A150-T152 PolarHBondContact O-N 3.39Å; T152-G154 VanDerWaalsContact C-N 3.27Å; T152-G154 PolarHBondContact O-N 2.88Å |
| 153 | C | 90.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 72.4 Ų | 72.4 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -79.6 | -8.4 | 176.1 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | S107 S113 Y149 A150 R151 I155 | S107-C153 WeakPolarHBondContact CB-O 3.28Å; S107-C153 PolarHBondContact N-O 3.24Å; S113-C153 PolarHBondContact OG-O 3.33Å; Y149-C153 PolarHBondContact O-N 2.76Å; Y149-C153 PolarHBondContact O-SG 3.07Å; A150-C153 PolarHBondContact O-N 2.94Å; A150-C153 VanDerWaalsContact O-N 3.08Å; R151-C153 VanDerWaalsContact C-N 3.26Å; R151-C153 PolarHBondContact O-N 2.9Å; C153-I155 VanDerWaalsContact C-N 3.35Å; C153-I155 HydrophobicContact CB-CD1 3.95Å; C153-I155 HydrophobicContact CB-CG1 4.04Å |
| 154 | G | 92.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 75.8 Ų | 75.8 | 13% | 0.134 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 21.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V112 S113 A150 R151 T152 | V112-G154 CarbonylContact C-O 3.46Å; V112-G154 WeakPolarHBondContact CA-O 3.44Å; S113-G154 PolarHBondContact N-O 3.11Å; S113-G154 PolarHBondContact OG-O 2.91Å; A150-G154 PolarHBondContact O-N 3.38Å; A150-G154 VanDerWaalsContact O-N 3.14Å; R151-G154 PolarHBondContact O-N 3.4Å; T152-G154 VanDerWaalsContact C-N 3.27Å; T152-G154 PolarHBondContact O-N 2.88Å |
| 155 | I | 94.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 76.3 Ų | 76.3 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.2 | 177.2 | -63.7 | 169.6 | 0 | 0 | 0 | 108.7 | L97 A101 I103 G114 V116 A150 C153 | L97-I155 HydrophobicContact CB-CD1 3.78Å; A101-I155 HydrophobicContact CB-CD1 4.2Å; I103-I155 HydrophobicContact CD1-CD1 3.9Å; I103-I155 HydrophobicContact CD1-CG1 3.89Å; G114-I155 CarbonylContact O-C 3.51Å; G114-I155 VanDerWaalsContact O-CA 3.29Å; G114-I155 WeakPolarHBondContact O-CA 3.24Å; V116-I155 HydrophobicContact CB-CG2 3.78Å; V116-I155 HydrophobicContact CG2-CG2 3.43Å; V116-I155 VanDerWaalsContact CG2-CG2 3.43Å; A150-I155 CarbonylContact C-O 3.58Å; A150-I155 HydrophobicContact CB-CB 4.12Å; A150-I155 HydrophobicContact CB-CG2 4.34Å; A150-I155 PolarHBondContact O-N 3.42Å; C153-I155 VanDerWaalsContact C-N 3.35Å; C153-I155 HydrophobicContact CB-CD1 3.95Å; C153-I155 HydrophobicContact CB-CG1 4.04Å |
| 156 | E | 92.9 | Very high | 92.6 | Very high | 71 Ų | 71 | 75.9 Ų | 75.9 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 141.4 | 175 | -74.9 | -174.2 | 171.3 | 0 | 0 | 111.5 | V112 G114 M115 V116 R158 | V112-E156 HydrophobicContact CG1-CB 4.44Å; V112-E156 HydrophobicContact CG1-CG 3.82Å; V112-E156 HydrophobicContact CG2-CG 4.11Å; V112-E156 VanDerWaalsContact CG2-OE1 3.23Å; V112-E156 WeakPolarHBondContact CG2-OE1 3.37Å; G114-E156 PolarHBondContact O-N 3.49Å; M115-E156 CarbonylContact C-O 3.56Å; M115-E156 WeakPolarHBondContact CA-O 3.44Å; M115-E156 HydrophobicContact CG-CB 4.41Å; V116-E156 PolarHBondContact N-O 3.35Å; E156-R158 IonicContact OE2-CZ 3.84Å; E156-R158 IonicContact OE2-NE 2.82Å; E156-R158 PolarHBondContact OE2-NE 3.09Å; E156-R158 VanDerWaalsContact OE2-NE 3.1Å; E156-R158 IonicContact OE2-NH2 3.4Å; E156-R158 PolarHBondContact OE2-NH2 3.26Å |
| 157 | V | 93.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 84 Ų | 84 | 35% | 0.345 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 106.8 | 175.2 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | V116 L118 I121 A150 | V116-V157 CarbonylContact O-C 3.57Å; V116-V157 VanDerWaalsContact O-CA 3.26Å; V116-V157 WeakPolarHBondContact O-CA 3.47Å; L118-V157 HydrophobicContact CD2-CG1 3.63Å; L118-V157 HydrophobicContact CG-CG1 4.01Å; I121-V157 HydrophobicContact CD1-CB 4.03Å; I121-V157 HydrophobicContact CD1-CG1 3.39Å; I121-V157 HydrophobicContact CD1-CG2 3.41Å; I121-V157 VanDerWaalsContact CD1-CG2 3.41Å; A150-V157 HydrophobicContact CB-CG2 4.42Å |
| 158 | R | 92.8 | Very high | 92.4 | Very high | 106 Ų | 106 | 86 Ų | 86 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 153.2 | 177.8 | -65 | -171.2 | -178.9 | -165.6 | -0.2 | 110.6 | M115 V116 T117 E156 I161 | M115-R158 VanDerWaalsContact CE-NH2 3.32Å; M115-R158 PolarHBondContact SD-NE 3.03Å; V116-R158 PolarHBondContact O-N 3.32Å; T117-R158 VanDerWaalsContact CA-O 3.3Å; T117-R158 WeakPolarHBondContact CA-O 3.48Å; E156-R158 IonicContact OE2-CZ 3.84Å; E156-R158 IonicContact OE2-NE 2.82Å; E156-R158 PolarHBondContact OE2-NE 3.09Å; E156-R158 VanDerWaalsContact OE2-NE 3.1Å; E156-R158 IonicContact OE2-NH2 3.4Å; E156-R158 PolarHBondContact OE2-NH2 3.26Å; R158-I161 HydrophobicContact CB-CG1 4.16Å |
| 159 | K | 90.9 | Very high | 92.2 | Very high | 161 Ų | 161 | 86.9 Ų | 86.9 | 70% | 0.7 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -72.9 | -46.4 | 178 | -172.8 | -171.7 | 171.2 | -128.6 | 0 | 110.8 | ||
| 160 | E | 89.9 | Confident | 92.1 | Very high | 141 Ų | 141 | 83.8 Ų | 83.8 | 66% | 0.659 | 40% | 0.402 | S | S | * | . | trans | -130.2 | 143.5 | -178.2 | -72.6 | 156.6 | -142.2 | 0 | 0 | 107.7 | ||||
| 161 | I | 89.6 | Confident | 92 | Very high | 44 Ų | 44 | 89.8 Ų | 89.8 | 23% | 0.226 | 43% | 0.43 | C | S | . | . | trans | -132.3 | 121.9 | -179.2 | -59.9 | 174.2 | 0 | 0 | 0 | 107.1 | M115 T117 R158 P163 Y166 | M115-I161 HydrophobicContact CB-CD1 3.87Å; M115-I161 HydrophobicContact CB-CG1 4.46Å; T117-I161 HydrophobicContact CG2-CD1 3.7Å; T117-I161 HydrophobicContact CG2-CG1 3.99Å; R158-I161 HydrophobicContact CB-CG1 4.16Å; I161-P163 WeakPolarHBondContact O-CD 3.39Å; I161-Y166 HydrophobicContact CG2-CD2 4.09Å; I161-Y166 HydrophobicContact CG2-CG 3.89Å | ||
| 162 | D | 92.6 | Very high | 91.9 | Very high | 100 Ų | 100 | 83.4 Ų | 83.4 | 54% | 0.535 | 42% | 0.419 | S | S | . | . | trans | -74.6 | 120 | 174 | -69.2 | -54.9 | 0 | 0 | 0 | 110.4 | T164 E165 Y166 | D162-T164 VanDerWaalsContact C-N 3.28Å; D162-T164 PolarHBondContact O-N 3.12Å; D162-E165 HydrophobicContact CB-CB 4.25Å; D162-E165 HydrophobicContact CB-CG 4.03Å; D162-E165 PolarHBondContact O-N 3.06Å; D162-Y166 WeakPolarHBondContact O-CB 3.46Å; D162-Y166 PolarHBondContact O-N 3.27Å | ||
| 163 | P | 90 | Very high | 91.7 | Very high | 83 Ų | 83 | 78.9 Ų | 78.9 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -33.3 | -174.1 | -26.3 | 35.4 | 0 | 0 | 0 | 114 | I161 R167 | I161-P163 WeakPolarHBondContact O-CD 3.39Å; P163-R167 VanDerWaalsContact O-CG 3.31Å; P163-R167 WeakPolarHBondContact O-CG 3.43Å; P163-R167 PolarHBondContact O-N 2.97Å; P163-R167 VanDerWaalsContact O-N 3.17Å |
| 164 | T | 93.2 | Very high | 91.7 | Very high | 95 Ų | 95 | 82.1 Ų | 82.1 | 58% | 0.583 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.6 | -48.9 | -178.9 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | D162 Y166 R167 Q168 | D162-T164 VanDerWaalsContact C-N 3.28Å; D162-T164 PolarHBondContact O-N 3.12Å; T164-Y166 VanDerWaalsContact C-N 3.3Å; T164-Y166 PolarHBondContact O-N 3.19Å; T164-R167 PolarHBondContact O-N 2.91Å; T164-Q168 PolarHBondContact O-N 3.25Å |
| 165 | E | 91.1 | Very high | 91.6 | Very high | 117 Ų | 117 | 85.5 Ų | 85.5 | 55% | 0.547 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.4 | -59.8 | -171.6 | 172 | 0 | 0 | 111 | D162 R167 Q168 F169 | D162-E165 HydrophobicContact CB-CB 4.25Å; D162-E165 HydrophobicContact CB-CG 4.03Å; D162-E165 PolarHBondContact O-N 3.06Å; E165-R167 VanDerWaalsContact C-N 3.34Å; E165-R167 PolarHBondContact O-N 2.93Å; E165-Q168 PolarHBondContact O-N 3.4Å; E165-F169 WeakPolarHBondContact O-CB 3.47Å; E165-F169 PolarHBondContact O-N 3.47Å |
| 166 | Y | 91.6 | Very high | 91.4 | Very high | 34 Ų | 34 | 89.2 Ų | 89.2 | 13% | 0.133 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | -180 | -166.1 | -119.2 | 0 | 0 | 0 | 112.7 | A101 M115 I161 D162 T164 F169 L170 | A101-Y166 PolarHBondContact O-OH 2.88Å; M115-Y166 HydrophobicContact CB-CD2 4.15Å; M115-Y166 HydrophobicContact CB-CE2 3.65Å; M115-Y166 HydrophobicContact CG-CD2 4.36Å; M115-Y166 HydrophobicContact CG-CE2 3.98Å; M115-Y166 PolarHBondContact N-OH 3.04Å; M115-Y166 PolarHBondContact O-OH 3.09Å; M115-Y166 HydrophobicContact SD-CD2 4.25Å; M115-Y166 HydrophobicContact SD-CE2 4.45Å; I161-Y166 HydrophobicContact CG2-CD2 4.09Å; I161-Y166 HydrophobicContact CG2-CG 3.89Å; D162-Y166 WeakPolarHBondContact O-CB 3.46Å; D162-Y166 PolarHBondContact O-N 3.27Å; T164-Y166 VanDerWaalsContact C-N 3.3Å; T164-Y166 PolarHBondContact O-N 3.19Å; Y166-F169 HydrophobicContact CD2-CD1 4.27Å; Y166-F169 HydrophobicContact CE2-CD1 4.04Å; Y166-F169 WeakPolarHBondContact O-CB 3.41Å; Y166-F169 PolarHBondContact O-N 2.99Å; Y166-L170 HydrophobicContact CD1-CD1 4.01Å; Y166-L170 HydrophobicContact CD1-CG 4.38Å; Y166-L170 HydrophobicContact CE1-CD1 3.7Å; Y166-L170 HydrophobicContact CE1-CD2 4.33Å; Y166-L170 HydrophobicContact CE1-CG 4.08Å; Y166-L170 WeakPolarHBondContact O-CG 3.5Å; Y166-L170 PolarHBondContact O-N 3.44Å |
| 167 | R | 92.2 | Very high | 91.2 | Very high | 171 Ų | 171 | 86.9 Ų | 86.9 | 65% | 0.645 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 174.7 | -73.9 | 172.3 | -175.3 | 162.5 | 2.1 | 112.1 | P163 T164 E165 F169 L170 Q171 | P163-R167 VanDerWaalsContact O-CG 3.31Å; P163-R167 WeakPolarHBondContact O-CG 3.43Å; P163-R167 PolarHBondContact O-N 2.97Å; P163-R167 VanDerWaalsContact O-N 3.17Å; T164-R167 PolarHBondContact O-N 2.91Å; E165-R167 VanDerWaalsContact C-N 3.34Å; E165-R167 PolarHBondContact O-N 2.93Å; R167-F169 VanDerWaalsContact C-N 3.31Å; R167-F169 PolarHBondContact O-N 3.01Å; R167-L170 PolarHBondContact O-N 3.32Å; R167-Q171 WeakPolarHBondContact O-CG 3.39Å; R167-Q171 PolarHBondContact O-N 3.2Å |
| 168 | Q | 93.5 | Very high | 91.1 | Very high | 116 Ų | 116 | 89.8 Ų | 89.8 | 54% | 0.542 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 176.5 | -68.4 | 174.2 | -10.1 | 0 | 0 | 111.5 | T164 E165 Q171 S172 | T164-Q168 PolarHBondContact O-N 3.25Å; E165-Q168 PolarHBondContact O-N 3.4Å; Q168-Q171 PolarHBondContact O-N 2.97Å; Q168-S172 WeakPolarHBondContact O-CB 3.37Å; Q168-S172 PolarHBondContact O-N 2.99Å; Q168-S172 PolarHBondContact O-OG 2.96Å |
| 169 | F | 92.1 | Very high | 91 | Very high | 57 Ų | 57 | 91.3 Ų | 91.3 | 25% | 0.25 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 174.2 | 173.6 | -95.7 | 0 | 0 | 0 | 111.8 | V112 M115 E165 Y166 R167 Q171 S172 R173 | V112-F169 HydrophobicContact CG1-CZ 4.11Å; V112-F169 WeakPolarHBondContact O-CZ 3.35Å; M115-F169 HydrophobicContact CE-CD2 4.47Å; M115-F169 HydrophobicContact CE-CE2 4.48Å; E165-F169 WeakPolarHBondContact O-CB 3.47Å; E165-F169 PolarHBondContact O-N 3.47Å; Y166-F169 HydrophobicContact CD2-CD1 4.27Å; Y166-F169 HydrophobicContact CE2-CD1 4.04Å; Y166-F169 WeakPolarHBondContact O-CB 3.41Å; Y166-F169 PolarHBondContact O-N 2.99Å; R167-F169 VanDerWaalsContact C-N 3.31Å; R167-F169 PolarHBondContact O-N 3.01Å; F169-Q171 PolarHBondContact O-N 3.41Å; F169-S172 PolarHBondContact O-N 2.91Å; F169-R173 VanDerWaalsContact O-CB 3.27Å; F169-R173 WeakPolarHBondContact O-CB 3.5Å; F169-R173 PolarHBondContact O-N 3.38Å |
| 170 | L | 91.4 | Very high | 90.9 | Very high | 38 Ų | 38 | 84.8 Ų | 84.8 | 20% | 0.199 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 178.3 | -71.5 | 177.5 | 0 | 0 | 0 | 112.2 | I103 Y166 R167 R173 D174 | I103-L170 HydrophobicContact CG2-CD2 3.92Å; Y166-L170 HydrophobicContact CD1-CD1 4.01Å; Y166-L170 HydrophobicContact CD1-CG 4.38Å; Y166-L170 HydrophobicContact CE1-CD1 3.7Å; Y166-L170 HydrophobicContact CE1-CD2 4.33Å; Y166-L170 HydrophobicContact CE1-CG 4.08Å; Y166-L170 WeakPolarHBondContact O-CG 3.5Å; Y166-L170 PolarHBondContact O-N 3.44Å; R167-L170 PolarHBondContact O-N 3.32Å; L170-R173 WeakPolarHBondContact O-CB 3.48Å; L170-R173 PolarHBondContact O-N 2.93Å; L170-D174 PolarHBondContact O-N 3.39Å |
| 171 | Q | 91.9 | Very high | 90.9 | Very high | 127 Ų | 127 | 81.4 Ų | 81.4 | 59% | 0.593 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.9 | -49.3 | 176.1 | -72.2 | 175.8 | -11.1 | 0 | 0 | 112 | R167 Q168 F169 R173 D174 D175 | R167-Q171 WeakPolarHBondContact O-CG 3.39Å; R167-Q171 PolarHBondContact O-N 3.2Å; Q168-Q171 PolarHBondContact O-N 2.97Å; F169-Q171 PolarHBondContact O-N 3.41Å; Q171-R173 PolarHBondContact O-N 2.96Å; Q171-D174 PolarHBondContact O-N 2.83Å; Q171-D175 PolarHBondContact O-N 2.67Å; Q171-D175 VanDerWaalsContact O-N 3.15Å |
| 172 | S | 90.8 | Very high | 91.1 | Very high | 82 Ų | 82 | 85.2 Ų | 85.2 | 57% | 0.573 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.9 | -36.2 | 177.2 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | Q168 F169 F176 | Q168-S172 WeakPolarHBondContact O-CB 3.37Å; Q168-S172 PolarHBondContact O-N 2.99Å; Q168-S172 PolarHBondContact O-OG 2.96Å; F169-S172 PolarHBondContact O-N 2.91Å; S172-F176 PolarHBondContact O-N 3.28Å; S172-F176 VanDerWaalsContact O-N 3.15Å |
| 173 | R | 88.3 | Confident | 91.1 | Very high | 22 Ų | 22 | 85.1 Ų | 85.1 | 8% | 0.083 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71 | -42.9 | 178.2 | -179.5 | 60 | -173.9 | 164.2 | 2.5 | 112.2 | D111 F169 L170 Q171 D175 F176 V177 | D111-R173 IonicContact OD2-NH1 3.04Å; F169-R173 VanDerWaalsContact O-CB 3.27Å; F169-R173 WeakPolarHBondContact O-CB 3.5Å; F169-R173 PolarHBondContact O-N 3.38Å; L170-R173 WeakPolarHBondContact O-CB 3.48Å; L170-R173 PolarHBondContact O-N 2.93Å; Q171-R173 PolarHBondContact O-N 2.96Å; R173-D175 VanDerWaalsContact C-N 3.27Å; R173-D175 PolarHBondContact O-N 3.37Å; R173-F176 WeakPolarHBondContact O-CB 3.33Å; R173-F176 PolarHBondContact O-N 2.78Å; R173-V177 HydrophobicContact CG-CG2 4.33Å; R173-V177 VanDerWaalsContact O-CG2 3.3Å; R173-V177 WeakPolarHBondContact O-CG2 3.33Å; R173-V177 PolarHBondContact O-N 3.26Å |
| 174 | D | 89.7 | Confident | 91.1 | Very high | 84 Ų | 84 | 85 Ų | 85 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 178 | -77.7 | -22.1 | 0 | 0 | 0 | 111.2 | L170 Q171 V177 K178 | L170-D174 PolarHBondContact O-N 3.39Å; Q171-D174 PolarHBondContact O-N 2.83Å; D174-V177 PolarHBondContact O-N 2.96Å; D174-K178 VanDerWaalsContact O-CG 3.3Å; D174-K178 WeakPolarHBondContact O-CG 3.48Å; D174-K178 PolarHBondContact O-N 3.39Å |
| 175 | D | 91.1 | Very high | 91.1 | Very high | 83 Ų | 83 | 85.3 Ų | 85.3 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 175.8 | -68.5 | -21.9 | 0 | 0 | 0 | 112.4 | Q171 R173 K178 K179 | Q171-D175 PolarHBondContact O-N 2.67Å; Q171-D175 VanDerWaalsContact O-N 3.15Å; R173-D175 VanDerWaalsContact C-N 3.27Å; R173-D175 PolarHBondContact O-N 3.37Å; D175-K178 IonicContact OD1-NZ 3.47Å; D175-K179 WeakPolarHBondContact O-CG 3.33Å; D175-K179 PolarHBondContact O-N 2.53Å |
| 176 | F | 89.9 | Confident | 91.2 | Very high | 84 Ų | 84 | 82.3 Ų | 82.3 | 37% | 0.368 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 171.9 | 178.6 | -82.6 | 0 | 0 | 0 | 111.9 | S172 R173 K178 K179 E180 | S172-F176 PolarHBondContact O-N 3.28Å; S172-F176 VanDerWaalsContact O-N 3.15Å; R173-F176 WeakPolarHBondContact O-CB 3.33Å; R173-F176 PolarHBondContact O-N 2.78Å; F176-K178 VanDerWaalsContact C-N 3.31Å; F176-K178 PolarHBondContact O-N 3.22Å; F176-K179 PolarHBondContact O-N 3.44Å; F176-E180 PolarHBondContact O-N 3.26Å |
| 177 | V | 89.2 | Confident | 91.3 | Very high | 22 Ų | 22 | 85.7 Ų | 85.7 | 13% | 0.133 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | -178.3 | 171 | 0 | 0 | 0 | 0 | 111.4 | K105 F108 R173 D174 L181 | K105-V177 HydrophobicContact CB-CG1 4.43Å; K105-V177 HydrophobicContact CG-CG1 4.13Å; F108-V177 HydrophobicContact CE2-CG1 4.47Å; R173-V177 HydrophobicContact CG-CG2 4.33Å; R173-V177 VanDerWaalsContact O-CG2 3.3Å; R173-V177 WeakPolarHBondContact O-CG2 3.33Å; R173-V177 PolarHBondContact O-N 3.26Å; D174-V177 PolarHBondContact O-N 2.96Å; V177-L181 VanDerWaalsContact O-CB 3.29Å; V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 PolarHBondContact O-N 3.48Å |
| 178 | K | 90.6 | Very high | 91.4 | Very high | 119 Ų | 119 | 86.6 Ų | 86.6 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 174.7 | -73 | 168.8 | -168.4 | 162.9 | 0 | 111.6 | D174 D175 F176 E180 L181 E182 | D174-K178 VanDerWaalsContact O-CG 3.3Å; D174-K178 WeakPolarHBondContact O-CG 3.48Å; D174-K178 PolarHBondContact O-N 3.39Å; D175-K178 IonicContact OD1-NZ 3.47Å; F176-K178 VanDerWaalsContact C-N 3.31Å; F176-K178 PolarHBondContact O-N 3.22Å; K178-E180 PolarHBondContact O-N 3.35Å; K178-L181 PolarHBondContact O-N 2.56Å; K178-E182 WeakPolarHBondContact O-CG 3.4Å; K178-E182 PolarHBondContact O-N 2.9Å |
| 179 | K | 91.8 | Very high | 91.4 | Very high | 137 Ų | 137 | 87 Ų | 87 | 60% | 0.596 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.1 | -47.4 | 177.8 | -70.1 | 173.7 | -177.8 | 177.8 | 0 | 111.8 | D175 F176 L181 E182 E183 | D175-K179 WeakPolarHBondContact O-CG 3.33Å; D175-K179 PolarHBondContact O-N 2.53Å; F176-K179 PolarHBondContact O-N 3.44Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 2.91Å; K179-E182 PolarHBondContact O-N 3.32Å; K179-E183 WeakPolarHBondContact O-CG 3.46Å; K179-E183 PolarHBondContact O-N 3.3Å |
| 180 | E | 89.2 | Confident | 91.4 | Very high | 24 Ų | 24 | 86.3 Ų | 86.3 | 11% | 0.112 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 179 | -170.4 | 60.5 | -144.1 | 0 | 0 | 111.8 | F176 K178 E183 L184 | F176-E180 PolarHBondContact O-N 3.26Å; K178-E180 PolarHBondContact O-N 3.35Å; E180-E183 PolarHBondContact O-N 2.78Å; E180-L184 HydrophobicContact CG-CD1 4.28Å; E180-L184 WeakPolarHBondContact O-CB 3.38Å; E180-L184 VanDerWaalsContact O-CG 3.26Å; E180-L184 WeakPolarHBondContact O-CG 3.24Å; E180-L184 PolarHBondContact O-N 3.12Å |
| 181 | L | 90.3 | Very high | 91.5 | Very high | 71 Ų | 71 | 91.6 Ų | 91.6 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 177.6 | -174.3 | 129.2 | 0 | 0 | 0 | 111.9 | V177 K178 K179 L184 Q185 | V177-L181 VanDerWaalsContact O-CB 3.29Å; V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 PolarHBondContact O-N 3.48Å; K178-L181 PolarHBondContact O-N 2.56Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 2.91Å; L181-L184 PolarHBondContact O-N 3.29Å; L181-Q185 HydrophobicContact CD2-CG 4.48Å; L181-Q185 VanDerWaalsContact CD2-NE2 3.32Å; L181-Q185 WeakPolarHBondContact O-CB 3.24Å; L181-Q185 VanDerWaalsContact O-CG 3.25Å; L181-Q185 WeakPolarHBondContact O-CG 3.47Å; L181-Q185 PolarHBondContact O-N 2.82Å |
| 182 | E | 93.1 | Very high | 91.4 | Very high | 124 Ų | 124 | 91.5 Ų | 91.5 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 173.5 | -72.6 | 170.8 | -173.3 | 0 | 0 | 111.3 | K178 K179 L184 Q185 A186 | K178-E182 WeakPolarHBondContact O-CG 3.4Å; K178-E182 PolarHBondContact O-N 2.9Å; K179-E182 PolarHBondContact O-N 3.32Å; E182-L184 PolarHBondContact O-N 2.9Å; E182-Q185 PolarHBondContact O-N 2.88Å; E182-A186 WeakPolarHBondContact O-CB 3.29Å; E182-A186 PolarHBondContact O-N 2.81Å |
| 183 | E | 92.1 | Very high | 91.3 | Very high | 98 Ų | 98 | 94.1 Ų | 94.1 | 46% | 0.458 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175 | -74 | -169 | -161.9 | 0 | 0 | 112.7 | K179 E180 Q185 A186 K187 | K179-E183 WeakPolarHBondContact O-CG 3.46Å; K179-E183 PolarHBondContact O-N 3.3Å; E180-E183 PolarHBondContact O-N 2.78Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-A186 PolarHBondContact O-N 2.84Å; E183-K187 WeakPolarHBondContact O-CB 3.46Å; E183-K187 WeakPolarHBondContact O-CD 3.44Å; E183-K187 WeakPolarHBondContact O-CG 3.46Å; E183-K187 PolarHBondContact O-N 3.44Å; E183-K187 IonicContact OE2-NZ 3.51Å; E183-K187 PolarHBondContact OE2-NZ 3.34Å |
| 184 | L | 90.7 | Very high | 91.1 | Very high | 81 Ų | 81 | 103.1 Ų | 103.1 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 177.1 | -73.6 | 172.1 | 0 | 0 | 0 | 111.7 | F108 E180 L181 E182 R188 | F108-L184 HydrophobicContact CE1-CD1 4.2Å; E180-L184 HydrophobicContact CG-CD1 4.28Å; E180-L184 WeakPolarHBondContact O-CB 3.38Å; E180-L184 VanDerWaalsContact O-CG 3.26Å; E180-L184 WeakPolarHBondContact O-CG 3.24Å; E180-L184 PolarHBondContact O-N 3.12Å; L181-L184 PolarHBondContact O-N 3.29Å; E182-L184 PolarHBondContact O-N 2.9Å; L184-R188 WeakPolarHBondContact O-CB 3.42Å; L184-R188 PolarHBondContact O-N 3.38Å |
| 185 | Q | 92.9 | Very high | 90.9 | Very high | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 174 | -76 | 179 | -3.2 | 0 | 0 | 111.4 | L181 E182 E183 R188 Q189 | L181-Q185 HydrophobicContact CD2-CG 4.48Å; L181-Q185 VanDerWaalsContact CD2-NE2 3.32Å; L181-Q185 WeakPolarHBondContact O-CB 3.24Å; L181-Q185 VanDerWaalsContact O-CG 3.25Å; L181-Q185 WeakPolarHBondContact O-CG 3.47Å; L181-Q185 PolarHBondContact O-N 2.82Å; E182-Q185 PolarHBondContact O-N 2.88Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; Q185-R188 WeakPolarHBondContact O-CB 3.5Å; Q185-R188 PolarHBondContact O-N 3.32Å; Q185-R188 VanDerWaalsContact O-N 3.15Å; Q185-Q189 WeakPolarHBondContact O-CG 3.48Å; Q185-Q189 PolarHBondContact O-N 3.18Å |
| 186 | A | 94 | Very high | 89.8 | Confident | 53 Ų | 53 | 107.6 Ų | 107.6 | 44% | 0.438 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | E182 E183 R188 Q189 A190 | E182-A186 WeakPolarHBondContact O-CB 3.29Å; E182-A186 PolarHBondContact O-N 2.81Å; E183-A186 PolarHBondContact O-N 2.84Å; A186-R188 VanDerWaalsContact C-N 3.3Å; A186-R188 PolarHBondContact O-N 3.06Å; A186-Q189 PolarHBondContact O-N 3.09Å; A186-A190 WeakPolarHBondContact O-CB 3.47Å; A186-A190 PolarHBondContact O-N 2.89Å |
| 187 | K | 93.2 | Very high | 89.8 | Confident | 106 Ų | 106 | 108.8 Ų | 108.8 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 173.7 | -72.3 | 163.2 | -171 | 155.5 | 0 | 111.4 | E183 K191 | E183-K187 WeakPolarHBondContact O-CB 3.46Å; E183-K187 WeakPolarHBondContact O-CD 3.44Å; E183-K187 WeakPolarHBondContact O-CG 3.46Å; E183-K187 PolarHBondContact O-N 3.44Å; E183-K187 IonicContact OE2-NZ 3.51Å; E183-K187 PolarHBondContact OE2-NZ 3.34Å; K187-K191 WeakPolarHBondContact O-CG 3.38Å; K187-K191 PolarHBondContact O-N 3.23Å; K187-K191 VanDerWaalsContact O-N 3.16Å |
| 188 | R | 93.6 | Very high | 89.9 | Confident | 189 Ų | 189 | 113.4 Ų | 113.4 | 71% | 0.713 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.4 | -44.6 | 177 | -174.8 | 177.4 | -179.2 | 178.5 | -0.7 | 112 | L184 Q185 A186 K191 M192 | L184-R188 WeakPolarHBondContact O-CB 3.42Å; L184-R188 PolarHBondContact O-N 3.38Å; Q185-R188 WeakPolarHBondContact O-CB 3.5Å; Q185-R188 PolarHBondContact O-N 3.32Å; Q185-R188 VanDerWaalsContact O-N 3.15Å; A186-R188 VanDerWaalsContact C-N 3.3Å; A186-R188 PolarHBondContact O-N 3.06Å; R188-K191 PolarHBondContact O-N 3.11Å; R188-M192 WeakPolarHBondContact O-CG 3.21Å; R188-M192 PolarHBondContact O-N 3.09Å |
| 189 | Q | 93.4 | Very high | 89.8 | Confident | 126 Ų | 126 | 113.1 Ų | 113.1 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.7 | -44.2 | 177.5 | -73.9 | 174.4 | -12.3 | 0 | 0 | 111.2 | Q185 A186 K191 M192 L193 | Q185-Q189 WeakPolarHBondContact O-CG 3.48Å; Q185-Q189 PolarHBondContact O-N 3.18Å; A186-Q189 PolarHBondContact O-N 3.09Å; Q189-K191 VanDerWaalsContact C-N 3.31Å; Q189-K191 PolarHBondContact O-N 2.93Å; Q189-M192 PolarHBondContact O-N 3.18Å; Q189-L193 WeakPolarHBondContact O-CG 3.47Å; Q189-L193 PolarHBondContact O-N 2.89Å |
| 190 | A | 93 | Very high | 89.7 | Confident | 42 Ų | 42 | 111.6 Ų | 111.6 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.5 | -37.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A186 R194 | A186-A190 WeakPolarHBondContact O-CB 3.47Å; A186-A190 PolarHBondContact O-N 2.89Å; A190-R194 VanDerWaalsContact O-CG 3.28Å; A190-R194 WeakPolarHBondContact O-CG 3.37Å; A190-R194 PolarHBondContact O-N 2.77Å |
| 191 | K | 93.3 | Very high | 89.7 | Confident | 148 Ų | 148 | 117.1 Ų | 117.1 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.1 | -40.8 | 174.8 | -76.9 | 179.5 | -179.3 | -177.7 | 0 | 112.7 | K187 R188 Q189 R194 T195 | K187-K191 WeakPolarHBondContact O-CG 3.38Å; K187-K191 PolarHBondContact O-N 3.23Å; K187-K191 VanDerWaalsContact O-N 3.16Å; R188-K191 PolarHBondContact O-N 3.11Å; Q189-K191 VanDerWaalsContact C-N 3.31Å; Q189-K191 PolarHBondContact O-N 2.93Å; K191-R194 PolarHBondContact O-N 3.09Å; K191-T195 PolarHBondContact O-N 3.08Å; K191-T195 PolarHBondContact O-OG1 2.81Å |
| 192 | M | 90.3 | Very high | 89.7 | Confident | 125 Ų | 125 | 120.2 Ų | 120.2 | 62% | 0.616 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.7 | -45.4 | 176.9 | -69.8 | -71 | -64.7 | 0 | 0 | 111.1 | R188 Q189 R194 T195 A196 | R188-M192 WeakPolarHBondContact O-CG 3.21Å; R188-M192 PolarHBondContact O-N 3.09Å; Q189-M192 PolarHBondContact O-N 3.18Å; M192-R194 PolarHBondContact O-N 2.89Å; M192-T195 PolarHBondContact O-N 3.17Å; M192-A196 PolarHBondContact O-N 2.96Å |
| 193 | L | 87.7 | Confident | 89.5 | Confident | 137 Ų | 137 | 119.9 Ų | 119.9 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.9 | -23.4 | 176.8 | -73.9 | 167.2 | 0 | 0 | 0 | 113.7 | Q189 | Q189-L193 WeakPolarHBondContact O-CG 3.47Å; Q189-L193 PolarHBondContact O-N 2.89Å |
| 194 | R | 84.6 | Confident | 89.3 | Confident | 211 Ų | 211 | 121.6 Ų | 121.6 | 80% | 0.796 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -84 | -18.7 | 173.9 | -72.3 | 174.8 | -172.3 | -176.4 | 2.7 | 113.9 | A190 K191 M192 | A190-R194 VanDerWaalsContact O-CG 3.28Å; A190-R194 WeakPolarHBondContact O-CG 3.37Å; A190-R194 PolarHBondContact O-N 2.77Å; K191-R194 PolarHBondContact O-N 3.09Å; M192-R194 PolarHBondContact O-N 2.89Å |
| 195 | T | 85 | Confident | 89.1 | Confident | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -99 | -22.7 | -176.3 | -46.2 | 0 | 0 | 0 | 0 | 111.8 | K191 M192 | K191-T195 PolarHBondContact O-N 3.08Å; K191-T195 PolarHBondContact O-OG1 2.81Å; M192-T195 PolarHBondContact O-N 3.17Å |
| 196 | A | 68.9 | Low | 88.8 | Confident | 138 Ų | 138 | 127.2 Ų | 127.2 | 100% | 1.141 | 66% | 0.657 | S | S | * | * | trans | -78.1 | 0 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | M192 | M192-A196 PolarHBondContact O-N 2.96Š|
Retrieved 196 of 196 residues in 155.1 ms
(Link to these results)