| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.5 | Very low | 56.7 | Low | 256 Ų | 256 | 128.6 Ų | 128.6 | 100% | 1.261 | 71% | 0.712 | S | S | * | * | 0 | 12.8 | 0 | -90.8 | 173.2 | 171.2 | 0 | 0 | 114.2 | |||||
| 2 | A | 49.4 | Very low | 57.5 | Low | 95 Ų | 95 | 126.9 Ų | 126.9 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -120.1 | -0.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3 | D | 54.5 | Low | 57.9 | Low | 145 Ų | 145 | 126.4 Ų | 126.4 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -111.9 | 0.5 | -166.6 | -144.2 | 7.3 | 0 | 0 | 0 | 115.6 | ||
| 4 | K | 54.1 | Low | 58.7 | Low | 201 Ų | 201 | 124.9 Ų | 124.9 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -96.7 | 0.9 | 177.8 | -75.2 | -177.3 | 176.7 | 177.3 | 0 | 114.3 | ||
| 5 | G | 50.2 | Low | 58.7 | Low | 44 Ų | 44 | 124.4 Ų | 124.4 | 45% | 0.454 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -80.7 | -27.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 6 | N | 57.7 | Low | 58.7 | Low | 117 Ų | 117 | 120.9 Ų | 120.9 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -81.7 | -24.5 | -170 | -68.6 | -29 | 0 | 0 | 0 | 114.1 | ||
| 7 | G | 64.3 | Low | 58.3 | Low | 52 Ų | 52 | 127.8 Ų | 127.8 | 54% | 0.536 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -73.4 | -32 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | M11 | G7-M11 PolarHBondContact O-N 2.92Å |
| 8 | L | 61.4 | Low | 58.4 | Low | 120 Ų | 120 | 133.2 Ų | 133.2 | 63% | 0.628 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -76.1 | -32.1 | -178.5 | -123.6 | 144.7 | 0 | 0 | 0 | 111.8 | M11 L12 | L8-M11 PolarHBondContact O-N 3.24Å; L8-L12 HydrophobicContact CD2-CD1 4.11Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 PolarHBondContact O-N 3.15Å |
| 9 | L | 59.3 | Low | 58.5 | Low | 105 Ų | 105 | 130.7 Ų | 130.7 | 55% | 0.55 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -68.6 | -37 | 175 | -110.4 | 141 | 0 | 0 | 0 | 112.5 | L12 Q13 | L9-L12 PolarHBondContact O-N 3.16Å; L9-Q13 PolarHBondContact O-N 3.48Å |
| 10 | Q | 60.8 | Low | 58 | Low | 138 Ų | 138 | 132.5 Ų | 132.5 | 65% | 0.645 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -70.1 | -37.1 | 173.2 | -77.6 | -149.5 | 35.2 | 0 | 0 | 112.9 | Q13 V14 | Q10-Q13 PolarHBondContact O-N 3.36Å; Q10-V14 WeakPolarHBondContact O-CG2 3.48Å; Q10-V14 PolarHBondContact O-N 3.28Å; Q10-V14 VanDerWaalsContact O-N 3.1Å |
| 11 | M | 66.6 | Low | 57.9 | Low | 142 Ų | 142 | 131.7 Ų | 131.7 | 70% | 0.7 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -66.5 | -37.1 | 174.2 | -83.5 | -163.1 | 137.5 | 0 | 0 | 112.6 | G7 L8 V14 L15 | G7-M11 PolarHBondContact O-N 2.92Å; L8-M11 PolarHBondContact O-N 3.24Å; M11-V14 PolarHBondContact O-N 3.05Å; M11-L15 PolarHBondContact O-N 3.01Å; M11-L15 VanDerWaalsContact O-N 3.1Å |
| 12 | L | 66.1 | Low | 58.3 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 57% | 0.565 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.3 | -35.5 | 175.2 | -91.2 | 151 | 0 | 0 | 0 | 112.6 | L8 L9 L15 A16 | L8-L12 HydrophobicContact CD2-CD1 4.11Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 PolarHBondContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.16Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.26Å |
| 13 | Q | 63.3 | Low | 58 | Low | 120 Ų | 120 | 125.1 Ų | 125.1 | 56% | 0.561 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.1 | -34.8 | 175 | -83.1 | 169.5 | -26.3 | 0 | 0 | 113.2 | L9 Q10 A16 W17 | L9-Q13 PolarHBondContact O-N 3.48Å; Q10-Q13 PolarHBondContact O-N 3.36Å; Q13-A16 PolarHBondContact O-N 3.39Å; Q13-W17 PolarHBondContact O-N 2.93Å |
| 14 | V | 68.2 | Low | 57.8 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71 | -33 | 174.5 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | Q10 M11 | Q10-V14 WeakPolarHBondContact O-CG2 3.48Å; Q10-V14 PolarHBondContact O-N 3.28Å; Q10-V14 VanDerWaalsContact O-N 3.1Å; M11-V14 PolarHBondContact O-N 3.05Å |
| 15 | L | 59.8 | Low | 57.7 | Low | 118 Ų | 118 | 119 Ų | 119 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.4 | -39.6 | 173.1 | -84.5 | 155.9 | 0 | 0 | 0 | 112.1 | M11 L12 W17 R18 | M11-L15 PolarHBondContact O-N 3.01Å; M11-L15 VanDerWaalsContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.33Å; L15-W17 VanDerWaalsContact C-N 3.32Å; L15-W17 PolarHBondContact O-N 3.49Å; L15-R18 PolarHBondContact O-N 3.04Å |
| 16 | A | 57.4 | Low | 57.6 | Low | 69 Ų | 69 | 127.7 Ų | 127.7 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.3 | -31.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L12 Q13 R18 | L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.26Å; Q13-A16 PolarHBondContact O-N 3.39Å; A16-R18 VanDerWaalsContact C-N 3.27Å; A16-R18 PolarHBondContact O-N 3.34Å |
| 17 | W | 52 | Low | 57.3 | Low | 237 Ų | 237 | 130.4 Ų | 130.4 | 90% | 0.898 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -17.6 | 175.2 | -105.4 | 72.6 | 0 | 0 | 0 | 114.3 | Q13 L15 | Q13-W17 PolarHBondContact O-N 2.93Å; L15-W17 VanDerWaalsContact C-N 3.32Å; L15-W17 PolarHBondContact O-N 3.49Å |
| 18 | R | 60.9 | Low | 56.8 | Low | 226 Ų | 226 | 131.1 Ų | 131.1 | 85% | 0.853 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -7.8 | -176.4 | -155.1 | 155.2 | -178.7 | 108.8 | -2.9 | 113.6 | L15 A16 | L15-R18 PolarHBondContact O-N 3.04Å; A16-R18 VanDerWaalsContact C-N 3.27Å; A16-R18 PolarHBondContact O-N 3.34Å |
| 19 | V | 59.3 | Low | 56.3 | Low | 86 Ų | 86 | 130.9 Ų | 130.9 | 52% | 0.521 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -121.5 | 90.2 | 179.3 | -154.5 | 0 | 0 | 0 | 0 | 107.7 | I21 | V19-I21 VanDerWaalsContact C-N 3.26Å; V19-I21 HydrophobicContact CB-CD1 4.37Å; V19-I21 HydrophobicContact CB-CG1 4.34Å; V19-I21 HydrophobicContact CG1-CD1 3.63Å; V19-I21 HydrophobicContact CG1-CG1 3.7Å; V19-I21 PolarHBondContact O-N 3.27Å |
| 20 | N | 50 | Low | 56 | Low | 165 Ų | 165 | 129 Ų | 129 | 88% | 0.882 | 67% | 0.667 | S | S | * | * | trans | -65.3 | 81.6 | 176.9 | -175.4 | 23.3 | 0 | 0 | 0 | 110.2 | ||||
| 21 | I | 54.9 | Low | 56 | Low | 116 Ų | 116 | 131.5 Ų | 131.5 | 60% | 0.595 | 67% | 0.671 | S | S | * | * | trans | -107.5 | 116.9 | 178 | -58.9 | -178.9 | 0 | 0 | 0 | 108.2 | V19 I24 | V19-I21 VanDerWaalsContact C-N 3.26Å; V19-I21 HydrophobicContact CB-CD1 4.37Å; V19-I21 HydrophobicContact CB-CG1 4.34Å; V19-I21 HydrophobicContact CG1-CD1 3.63Å; V19-I21 HydrophobicContact CG1-CG1 3.7Å; V19-I21 PolarHBondContact O-N 3.27Å; I21-I24 HydrophobicContact CG2-CD1 4.45Å | ||
| 22 | P | 53.6 | Low | 55.5 | Low | 105 Ų | 105 | 133.3 Ų | 133.3 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | trans | -68.8 | 142.7 | 174.5 | 28 | -31.2 | 0 | 0 | 0 | 110.6 | I24 | P22-I24 PolarHBondContact O-N 3.24Š| ||
| 23 | A | 44 | Very low | 55.3 | Low | 109 Ų | 109 | 133.7 Ų | 133.7 | 90% | 0.901 | 67% | 0.672 | S | S | * | * | trans | -39.6 | 113 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 24 | I | 49.3 | Very low | 54.8 | Low | 103 Ų | 103 | 130.7 Ų | 130.7 | 53% | 0.528 | 66% | 0.664 | S | S | . | * | trans | -103.3 | 125.1 | 168.2 | -69.2 | 171.8 | 0 | 0 | 0 | 107.5 | I21 P22 T28 | I21-I24 HydrophobicContact CG2-CD1 4.45Å; P22-I24 PolarHBondContact O-N 3.24Å; I24-T28 HydrophobicContact CG2-CG2 4.36Å; I24-T28 WeakPolarHBondContact CG2-OG1 3.47Å | ||
| 25 | T | 52.1 | Low | 54.6 | Low | 113 Ų | 113 | 129.8 Ų | 129.8 | 69% | 0.693 | 65% | 0.652 | S | S | * | * | trans | -48.7 | 140.3 | -178.2 | 5.1 | 0 | 0 | 0 | 0 | 113.2 | Q27 T28 | T25-Q27 PolarHBondContact O-N 3.08Å; T25-T28 PolarHBondContact O-N 2.95Å; T25-T28 PolarHBondContact O-OG1 2.91Å | ||
| 26 | R | 49.5 | Very low | 54.5 | Low | 228 Ų | 228 | 127.5 Ų | 127.5 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -50 | -17.4 | -176.9 | -76.2 | -173.3 | 173.3 | -171.6 | -1.2 | 116.2 | ||
| 27 | Q | 50.9 | Low | 54.5 | Low | 173 Ų | 173 | 128 Ų | 128 | 81% | 0.808 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.2 | -32.2 | 177.3 | -142.2 | 97.1 | 16 | 0 | 0 | 112.8 | T25 | T25-Q27 PolarHBondContact O-N 3.08Å |
| 28 | T | 53.6 | Low | 54.8 | Low | 68 Ų | 68 | 122.2 Ų | 122.2 | 42% | 0.417 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -83.1 | -25.6 | -174.1 | 0.9 | 0 | 0 | 0 | 0 | 112.8 | I24 T25 W32 | I24-T28 HydrophobicContact CG2-CG2 4.36Å; I24-T28 WeakPolarHBondContact CG2-OG1 3.47Å; T25-T28 PolarHBondContact O-N 2.95Å; T25-T28 PolarHBondContact O-OG1 2.91Å; T28-W32 PolarHBondContact O-N 3.45Å |
| 29 | E | 50.5 | Low | 54.5 | Low | 115 Ų | 115 | 118.3 Ų | 118.3 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.8 | -34.2 | 176.4 | -64.6 | -169.6 | 141.9 | 0 | 0 | 112.4 | L33 | E29-L33 VanDerWaalsContact O-CB 3.3Å; E29-L33 WeakPolarHBondContact O-CB 3.4Å; E29-L33 WeakPolarHBondContact O-CG 3.23Å; E29-L33 PolarHBondContact O-N 3.46Å |
| 30 | A | 53.3 | Low | 54.4 | Low | 65 Ų | 65 | 123 Ų | 123 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.4 | -34.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C34 | A30-C34 WeakPolarHBondContact O-CB 3.14Å; A30-C34 PolarHBondContact O-N 3.08Å |
| 31 | W | 60.1 | Low | 54.8 | Low | 190 Ų | 190 | 119.4 Ų | 119.4 | 72% | 0.72 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.2 | -41.5 | 177.8 | -139.8 | 80.8 | 0 | 0 | 0 | 111.3 | C34 E35 | W31-C34 PolarHBondContact O-N 3.12Å; W31-E35 PolarHBondContact O-N 3.11Å |
| 32 | W | 57 | Low | 54.8 | Low | 181 Ų | 181 | 116.5 Ų | 116.5 | 69% | 0.686 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.2 | -40.7 | 175.9 | -116.8 | 81 | 0 | 0 | 0 | 112.8 | T28 E35 L36 | T28-W32 PolarHBondContact O-N 3.45Å; W32-E35 PolarHBondContact O-N 2.5Å; W32-L36 HydrophobicContact CD2-CD1 4.22Å; W32-L36 HydrophobicContact CE3-CD1 3.32Å; W32-L36 HydrophobicContact CE3-CD2 4.3Å; W32-L36 HydrophobicContact CE3-CG 4.42Å; W32-L36 HydrophobicContact CH2-CD1 4.19Å; W32-L36 HydrophobicContact CZ3-CD1 3.31Å; W32-L36 HydrophobicContact CZ3-CD2 4.2Å; W32-L36 HydrophobicContact CZ3-CG 4.39Å; W32-L36 WeakPolarHBondContact O-CB 3.49Å; W32-L36 PolarHBondContact O-N 2.92Å |
| 33 | L | 60.6 | Low | 54.8 | Low | 116 Ų | 116 | 116.6 Ų | 116.6 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.4 | -34.3 | 175.5 | -75.7 | 167.1 | 0 | 0 | 0 | 112.5 | E29 T37 | E29-L33 VanDerWaalsContact O-CB 3.3Å; E29-L33 WeakPolarHBondContact O-CB 3.4Å; E29-L33 WeakPolarHBondContact O-CG 3.23Å; E29-L33 PolarHBondContact O-N 3.46Å; L33-T37 WeakPolarHBondContact O-CB 3.41Å; L33-T37 VanDerWaalsContact O-CG2 3.31Å; L33-T37 WeakPolarHBondContact O-CG2 3.28Å; L33-T37 PolarHBondContact O-N 3.31Å; L33-T37 PolarHBondContact O-OG1 2.95Å |
| 34 | C | 53.1 | Low | 55.3 | Low | 57 Ų | 57 | 116.5 Ų | 116.5 | 39% | 0.385 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -39.5 | 174.7 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | A30 W31 T37 K38 | A30-C34 WeakPolarHBondContact O-CB 3.14Å; A30-C34 PolarHBondContact O-N 3.08Å; W31-C34 PolarHBondContact O-N 3.12Å; C34-T37 WeakPolarHBondContact CA-OG1 3.36Å; C34-T37 PolarHBondContact O-N 2.96Å; C34-T37 PolarHBondContact O-OG1 3.28Å; C34-K38 WeakPolarHBondContact O-CG 2.92Å; C34-K38 PolarHBondContact O-N 3.21Å; C34-K38 VanDerWaalsContact O-N 3.08Å |
| 35 | E | 65 | Low | 55.5 | Low | 85 Ų | 85 | 116.4 Ų | 116.4 | 40% | 0.397 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -77.6 | -34.3 | 179.8 | -140.3 | 59.3 | -164.7 | 0 | 0 | 112.5 | W31 W32 T37 K38 E39 | W31-E35 PolarHBondContact O-N 3.11Å; W32-E35 PolarHBondContact O-N 2.5Å; E35-T37 VanDerWaalsContact C-N 3.31Å; E35-T37 PolarHBondContact O-N 2.73Å; E35-K38 PolarHBondContact O-N 2.93Å; E35-K38 IonicContact OE1-NZ 3.96Å; E35-K38 IonicContact OE2-NZ 2.84Å; E35-K38 PolarHBondContact OE2-NZ 3.12Å; E35-E39 PolarHBondContact O-N 3.18Å; E35-E39 VanDerWaalsContact O-N 3.11Å |
| 36 | L | 56.7 | Low | 55.6 | Low | 71 Ų | 71 | 117.5 Ų | 117.5 | 37% | 0.372 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.9 | -31.4 | 170.3 | -104.4 | 69.5 | 0 | 0 | 0 | 113.2 | W32 R40 | W32-L36 HydrophobicContact CD2-CD1 4.22Å; W32-L36 HydrophobicContact CE3-CD1 3.32Å; W32-L36 HydrophobicContact CE3-CD2 4.3Å; W32-L36 HydrophobicContact CE3-CG 4.42Å; W32-L36 HydrophobicContact CH2-CD1 4.19Å; W32-L36 HydrophobicContact CZ3-CD1 3.31Å; W32-L36 HydrophobicContact CZ3-CD2 4.2Å; W32-L36 HydrophobicContact CZ3-CG 4.39Å; W32-L36 WeakPolarHBondContact O-CB 3.49Å; W32-L36 PolarHBondContact O-N 2.92Å; L36-R40 WeakPolarHBondContact O-CB 3.23Å; L36-R40 WeakPolarHBondContact O-CG 3.28Å; L36-R40 PolarHBondContact O-N 3.4Å |
| 37 | T | 58.1 | Low | 55.4 | Low | 80 Ų | 80 | 113.4 Ų | 113.4 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.2 | -34.3 | 176.8 | 44.4 | 0 | 0 | 0 | 0 | 111.7 | L33 C34 E35 R40 V41 | L33-T37 WeakPolarHBondContact O-CB 3.41Å; L33-T37 VanDerWaalsContact O-CG2 3.31Å; L33-T37 WeakPolarHBondContact O-CG2 3.28Å; L33-T37 PolarHBondContact O-N 3.31Å; L33-T37 PolarHBondContact O-OG1 2.95Å; C34-T37 WeakPolarHBondContact CA-OG1 3.36Å; C34-T37 PolarHBondContact O-N 2.96Å; C34-T37 PolarHBondContact O-OG1 3.28Å; E35-T37 VanDerWaalsContact C-N 3.31Å; E35-T37 PolarHBondContact O-N 2.73Å; T37-R40 PolarHBondContact O-N 3.31Å; T37-V41 VanDerWaalsContact O-CB 3.28Å; T37-V41 WeakPolarHBondContact O-CB 3.3Å; T37-V41 WeakPolarHBondContact O-CG2 3.46Å; T37-V41 PolarHBondContact O-N 3.22Å |
| 38 | K | 58.4 | Low | 55.5 | Low | 115 Ų | 115 | 109.6 Ų | 109.6 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 172.3 | -72.4 | 177.2 | -161.5 | 155.8 | 0 | 112.9 | C34 E35 S42 | C34-K38 WeakPolarHBondContact O-CG 2.92Å; C34-K38 PolarHBondContact O-N 3.21Å; C34-K38 VanDerWaalsContact O-N 3.08Å; E35-K38 PolarHBondContact O-N 2.93Å; E35-K38 IonicContact OE1-NZ 3.96Å; E35-K38 IonicContact OE2-NZ 2.84Å; E35-K38 PolarHBondContact OE2-NZ 3.12Å; K38-S42 WeakPolarHBondContact O-CB 3.42Å; K38-S42 PolarHBondContact O-N 2.93Å |
| 39 | E | 54.7 | Low | 55.1 | Low | 144 Ų | 144 | 112.2 Ų | 112.2 | 67% | 0.673 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.5 | -39.7 | 177.4 | -113.1 | -171.7 | 164.1 | 0 | 0 | 112.2 | E35 L43 | E35-E39 PolarHBondContact O-N 3.18Å; E35-E39 VanDerWaalsContact O-N 3.11Å; E39-L43 PolarHBondContact O-N 3.46Å; E39-L43 VanDerWaalsContact O-N 3.07Å |
| 40 | R | 57.6 | Low | 54.6 | Low | 183 Ų | 183 | 112 Ų | 112 | 69% | 0.691 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.7 | -35 | 176.7 | -78.1 | -174.7 | 164.1 | -138.2 | -2.4 | 113.4 | L36 T37 L43 L44 | L36-R40 WeakPolarHBondContact O-CB 3.23Å; L36-R40 WeakPolarHBondContact O-CG 3.28Å; L36-R40 PolarHBondContact O-N 3.4Å; T37-R40 PolarHBondContact O-N 3.31Å; R40-L43 PolarHBondContact O-N 2.91Å; R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 PolarHBondContact O-N 2.94Å |
| 41 | V | 58.5 | Low | 54.1 | Low | 90 Ų | 90 | 116.7 Ų | 116.7 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.9 | -34.6 | 174.6 | 172.4 | 0 | 0 | 0 | 0 | 111 | T37 L44 N45 | T37-V41 VanDerWaalsContact O-CB 3.28Å; T37-V41 WeakPolarHBondContact O-CB 3.3Å; T37-V41 WeakPolarHBondContact O-CG2 3.46Å; T37-V41 PolarHBondContact O-N 3.22Å; V41-L44 PolarHBondContact O-N 3.07Å; V41-N45 WeakPolarHBondContact O-CB 3.41Å; V41-N45 PolarHBondContact O-N 3.43Å |
| 42 | S | 54.9 | Low | 53 | Low | 55 Ų | 55 | 115 Ų | 115 | 39% | 0.385 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.2 | -36.9 | 172.4 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | K38 K46 | K38-S42 WeakPolarHBondContact O-CB 3.42Å; K38-S42 PolarHBondContact O-N 2.93Å; S42-K46 WeakPolarHBondContact O-CB 3.39Å; S42-K46 WeakPolarHBondContact O-CD 3.21Å; S42-K46 VanDerWaalsContact O-CG 3.23Å; S42-K46 WeakPolarHBondContact O-CG 3.24Å; S42-K46 PolarHBondContact O-N 3.34Å |
| 43 | L | 52.7 | Low | 52 | Low | 108 Ų | 108 | 114.5 Ų | 114.5 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.1 | -33.7 | 173.4 | -95.3 | 164.4 | 0 | 0 | 0 | 113.1 | E39 R40 M47 | E39-L43 PolarHBondContact O-N 3.46Å; E39-L43 VanDerWaalsContact O-N 3.07Å; R40-L43 PolarHBondContact O-N 2.91Å; L43-M47 WeakPolarHBondContact O-CB 3.36Å; L43-M47 PolarHBondContact O-N 3.48Å |
| 44 | L | 53.9 | Low | 50.9 | Low | 106 Ų | 106 | 118.8 Ų | 118.8 | 56% | 0.555 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.3 | -39.7 | 173 | -94.1 | 144.9 | 0 | 0 | 0 | 111.8 | R40 V41 K46 M47 V48 | R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 PolarHBondContact O-N 2.94Å; V41-L44 PolarHBondContact O-N 3.07Å; L44-K46 VanDerWaalsContact C-N 3.35Å; L44-K46 PolarHBondContact O-N 2.86Å; L44-M47 CarbonylContact O-C 3.57Å; L44-M47 PolarHBondContact O-N 3.13Å; L44-M47 VanDerWaalsContact O-N 3.15Å; L44-V48 WeakPolarHBondContact O-CB 3.33Å; L44-V48 WeakPolarHBondContact O-CG2 3.08Å; L44-V48 PolarHBondContact O-N 3.25Å |
| 45 | N | 54.1 | Low | 50.1 | Low | 101 Ų | 101 | 121.4 Ų | 121.4 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.3 | -40 | 173.2 | -115 | 25.7 | 0 | 0 | 0 | 111.5 | V41 M47 V48 D49 | V41-N45 WeakPolarHBondContact O-CB 3.41Å; V41-N45 PolarHBondContact O-N 3.43Å; N45-M47 VanDerWaalsContact C-N 3.27Å; N45-M47 PolarHBondContact O-N 3.45Å; N45-V48 PolarHBondContact O-N 2.93Å; N45-D49 VanDerWaalsContact O-CG 3.3Å; N45-D49 PolarHBondContact O-N 3.17Å; N45-D49 VanDerWaalsContact O-OD2 3.13Å |
| 46 | K | 53.9 | Low | 48.5 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 59% | 0.591 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.7 | -19.7 | 174 | -70.8 | 169.2 | -176.5 | 167.7 | 0 | 113.9 | S42 L44 | S42-K46 WeakPolarHBondContact O-CB 3.39Å; S42-K46 WeakPolarHBondContact O-CD 3.21Å; S42-K46 VanDerWaalsContact O-CG 3.23Å; S42-K46 WeakPolarHBondContact O-CG 3.24Å; S42-K46 PolarHBondContact O-N 3.34Å; L44-K46 VanDerWaalsContact C-N 3.35Å; L44-K46 PolarHBondContact O-N 2.86Å |
| 47 | M | 45.6 | Very low | 47.5 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 70% | 0.7 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -88.1 | -25.2 | 171.1 | -88.1 | -178.3 | 172.1 | 0 | 0 | 112.9 | L43 L44 N45 | L43-M47 WeakPolarHBondContact O-CB 3.36Å; L43-M47 PolarHBondContact O-N 3.48Å; L44-M47 CarbonylContact O-C 3.57Å; L44-M47 PolarHBondContact O-N 3.13Å; L44-M47 VanDerWaalsContact O-N 3.15Å; N45-M47 VanDerWaalsContact C-N 3.27Å; N45-M47 PolarHBondContact O-N 3.45Å |
| 48 | V | 53.6 | Low | 46.7 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 56% | 0.564 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -81.5 | -29.8 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | L44 N45 C50 H51 | L44-V48 WeakPolarHBondContact O-CB 3.33Å; L44-V48 WeakPolarHBondContact O-CG2 3.08Å; L44-V48 PolarHBondContact O-N 3.25Å; N45-V48 PolarHBondContact O-N 2.93Å; V48-C50 PolarHBondContact O-N 3.15Å; V48-H51 PolarHBondContact O-N 3.21Å |
| 49 | D | 43.8 | Very low | 45.5 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 66% | 0.663 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 2 | 175.4 | -65.1 | -33 | 0 | 0 | 0 | 114.4 | N45 | N45-D49 VanDerWaalsContact O-CG 3.3Å; N45-D49 PolarHBondContact O-N 3.17Å; N45-D49 VanDerWaalsContact O-OD2 3.13Å |
| 50 | C | 40.8 | Very low | 44.5 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 15.1 | 175.3 | -75.2 | 0 | 0 | 0 | 0 | 113.5 | V48 | V48-C50 PolarHBondContact O-N 3.15Š|
| 51 | H | 43.2 | Very low | 43.6 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | -93.1 | 7.9 | -178.2 | -156.8 | -90.8 | 0 | 0 | 0 | 114.8 | V48 | V48-H51 PolarHBondContact O-N 3.21Š| ||
| 52 | D | 36.8 | Very low | 42.7 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | -104 | 74.9 | 176.5 | -80.8 | -36.1 | 0 | 0 | 0 | 111.9 | ||||
| 53 | L | 35.3 | Very low | 41.4 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | trans | -179.2 | 57.3 | 157.7 | -102.3 | 144.5 | 0 | 0 | 0 | 111.7 | ||||
| 54 | F | 37.5 | Very low | 40.9 | Very low | 206 Ų | 206 | 137 Ų | 137 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | trans | -144.6 | 101.2 | 155.3 | -131.7 | -93.7 | 0 | 0 | 0 | 110.4 | L56 | F54-L56 PolarHBondContact O-N 2.81Š| ||
| 55 | S | 38.1 | Very low | 40.1 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -57.3 | 102.6 | -179.6 | -170.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 56 | L | 31.1 | Very low | 39.7 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | -95.9 | 80.2 | 168.6 | -162.2 | 100.4 | 0 | 0 | 0 | 108.2 | F54 | F54-L56 PolarHBondContact O-N 2.81Š| ||
| 57 | K | 35 | Very low | 39 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | trans | -164.3 | 132.3 | 165.3 | -103.3 | 168.9 | -172 | -170.6 | 0 | 108 | ||||
| 58 | Q | 40.4 | Very low | 38.6 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 73.6 | 116.4 | -164.8 | -107.9 | 76 | 24.5 | 0 | 0 | 112.4 | ||
| 59 | T | 35.2 | Very low | 37.7 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | cis | -163.5 | 105.3 | 27.8 | -50.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 60 | M | 32.1 | Very low | 37.6 | Very low | 199 Ų | 199 | 138.6 Ų | 138.6 | 98% | 0.98 | 80% | 0.796 | S | S | * | * | trans | -90.6 | 100.4 | 156.9 | -75.9 | -164.8 | -70.5 | 0 | 0 | 106.6 | ||||
| 61 | A | 40.2 | Very low | 37.4 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | trans | -172.6 | 132.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 62 | S | 37.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 87.6 | 83 | 165.2 | -135.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 63 | C | 29.1 | Very low | 37.2 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -68.4 | 169.2 | 145.7 | -35.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 64 | A | 40.7 | Very low | 37 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | 83.4 | 130.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 65 | D | 38.2 | Very low | 37.1 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | cis | -168.1 | 173.6 | -0.1 | -103.8 | -33 | 0 | 0 | 0 | 108.1 | ||||
| 66 | P | 44.8 | Very low | 36.8 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | trans | -102.5 | -172.2 | -156.4 | 37.9 | -31.1 | 0 | 0 | 0 | 116.1 | ||||
| 67 | V | 39.3 | Very low | 37.5 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 90.2 | 111.7 | 161.8 | -52.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 68 | D | 37.7 | Very low | 37.3 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | 153 | 126.7 | 110 | -85.1 | -37.4 | 0 | 0 | 0 | 113.3 | |||||
| 69 | A | 35.7 | Very low | 37.6 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -100.2 | 149.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 70 | P | 41.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | -157.2 | 165.1 | 91.3 | 37.7 | -16.9 | 0 | 0 | 0 | 117.4 | |||||
| 71 | L | 35.8 | Very low | 38.3 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 34.9 | 119.8 | 142.4 | -76.4 | 159.1 | 0 | 0 | 0 | 121 | ||||
| 72 | L | 39 | Very low | 38.3 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | 177.6 | 132 | 111.2 | -103.5 | 157.7 | 0 | 0 | 0 | 114.8 | |||||
| 73 | R | 36.1 | Very low | 38.4 | Very low | 214 Ų | 214 | 137.5 Ų | 137.5 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | 76.9 | 99.7 | 140.8 | -102.2 | 176.9 | 173.4 | -174.3 | -4.5 | 121.6 | ||||
| 74 | Q | 32.9 | Very low | 38.7 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | 19.7 | 113.8 | 124.7 | -75.4 | 173.5 | -50.3 | 0 | 0 | 117.8 | |||||
| 75 | K | 37.8 | Very low | 38.8 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -141.7 | 110 | 133.5 | -161.8 | 138 | -175.7 | 175.2 | 0 | 110.5 | V77 | K75-V77 PolarHBondContact O-N 3.01Š| ||
| 76 | S | 32.9 | Very low | 38.8 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -57.7 | 123.2 | 164.9 | 138.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 77 | V | 45 | Very low | 38.9 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -144.8 | 112.2 | 153.3 | -93.9 | 0 | 0 | 0 | 0 | 107.9 | K75 | K75-V77 PolarHBondContact O-N 3.01Š| ||
| 78 | N | 32.2 | Very low | 38.9 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -86.5 | 119.5 | 179 | -150.6 | -29.9 | 0 | 0 | 0 | 107.3 | ||||
| 79 | L | 44.9 | Very low | 39.1 | Very low | 165 Ų | 165 | 144 Ų | 144 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -148.4 | 84.8 | 174.9 | -89.4 | 156.7 | 0 | 0 | 0 | 109 | ||||
| 80 | S | 42.5 | Very low | 39.6 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | -93.3 | 148.5 | 146.5 | 57.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 81 | P | 39.9 | Very low | 40.1 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | -150.5 | 145.4 | 60.8 | 35.8 | -14.7 | 0 | 0 | 0 | 115.5 | |||||
| 82 | F | 40 | Very low | 40.6 | Very low | 209 Ų | 209 | 137.8 Ų | 137.8 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | -136.6 | 110.5 | 162.8 | -144.6 | -96.7 | 0 | 0 | 0 | 112 | ||||
| 83 | A | 40.5 | Very low | 41.1 | Very low | 74 Ų | 74 | 137 Ų | 137 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | trans | 60.9 | 82.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | T85 | A83-T85 PolarHBondContact O-N 2.85Š| ||
| 84 | E | 36.5 | Very low | 42 | Very low | 199 Ų | 199 | 133 Ų | 133 | 93% | 0.93 | 75% | 0.752 | S | S | * | * | trans | -68.8 | 113.5 | 151.5 | -168 | 162.5 | -163.8 | 0 | 0 | 108.8 | ||||
| 85 | T | 42.3 | Very low | 43.2 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -118.9 | 118.9 | 163.6 | 21.7 | 0 | 0 | 0 | 0 | 108.2 | A83 E87 | A83-T85 PolarHBondContact O-N 2.85Å; T85-E87 PolarHBondContact O-N 3.17Å | ||
| 86 | A | 38.8 | Very low | 44.1 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -63.2 | 112.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 87 | E | 46.1 | Very low | 46.2 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | -142.7 | 44.9 | 161.7 | -97.7 | -78.8 | 155.8 | 0 | 0 | 108.2 | T85 | T85-E87 PolarHBondContact O-N 3.17Š| ||
| 88 | E | 38.6 | Very low | 48.1 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -103.4 | 66.9 | 178.3 | -114.2 | -169 | 162.4 | 0 | 0 | 110.4 | ||||
| 89 | A | 42.7 | Very low | 50.9 | Low | 102 Ų | 102 | 127 Ų | 127 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -151.9 | 1.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 90 | S | 45.7 | Very low | 53.2 | Low | 62 Ų | 62 | 123.9 Ų | 123.9 | 43% | 0.434 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -123.6 | 12.6 | 178.3 | 81.9 | 0 | 0 | 0 | 0 | 115.6 | K94 | S90-K94 PolarHBondContact O-NZ 3.29Å; S90-K94 PolarHBondContact OG-NZ 3.15Å |
| 91 | T | 51.1 | Low | 55.6 | Low | 81 Ų | 81 | 121.3 Ų | 121.3 | 50% | 0.497 | 67% | 0.666 | S | S | . | * | trans | -99.5 | -7 | -169.8 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 92 | A | 46.6 | Very low | 58.1 | Low | 86 Ų | 86 | 125.6 Ų | 125.6 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -73.9 | -39.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 93 | D | 49.9 | Very low | 60.6 | Low | 136 Ų | 136 | 118.7 Ų | 118.7 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -82.2 | -18 | 177.6 | -86.3 | -30 | 0 | 0 | 0 | 114 | K95 | D93-K95 PolarHBondContact O-N 3.26Š|
| 94 | K | 55.5 | Low | 63.1 | Low | 130 Ų | 130 | 116.7 Ų | 116.7 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -72.2 | -12.3 | 175.9 | -70.7 | 170.5 | -175.9 | 151.7 | 0 | 113.1 | S90 | S90-K94 PolarHBondContact O-NZ 3.29Å; S90-K94 PolarHBondContact OG-NZ 3.15Å |
| 95 | K | 56.9 | Low | 65.7 | Low | 180 Ų | 180 | 107.5 Ų | 107.5 | 78% | 0.783 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -85.4 | -11.1 | -172.6 | -140.5 | 166.4 | -174.3 | 176.6 | 0 | 114.3 | D93 | D93-K95 PolarHBondContact O-N 3.26Š|
| 96 | R | 58 | Low | 68.2 | Low | 222 Ų | 222 | 106.3 Ų | 106.3 | 84% | 0.838 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -92.4 | -8.3 | -178.7 | -69 | -166 | 178.5 | -117.3 | 2.3 | 115.5 | ||
| 97 | H | 77.5 | Confident | 70.7 | Confident | 142 Ų | 142 | 105.4 Ų | 105.4 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -107.8 | -8.2 | -176.1 | -58.7 | -49.7 | 0 | 0 | 0 | 114.5 | ||
| 98 | T | 84.9 | Confident | 73 | Confident | 69 Ų | 69 | 100.3 Ų | 100.3 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 114.2 | -178.2 | -58.8 | 0 | 0 | 0 | 0 | 109.5 | V106 | T98-V106 HydrophobicContact CG2-CG1 3.13Å |
| 99 | G | 90.2 | Very high | 75.5 | Confident | 24 Ų | 24 | 98.2 Ų | 98.2 | 25% | 0.247 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 160.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F107 | G99-F107 PolarHBondContact N-O 2.95Å; G99-F107 VanDerWaalsContact O-CD1 3.32Å; G99-F107 WeakPolarHBondContact O-CD1 3.3Å; G99-F107 PolarHBondContact O-N 3.32Å |
| 100 | V | 93 | Very high | 77.7 | Confident | 101 Ų | 101 | 96.4 Ų | 96.4 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.7 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | G105 F107 | V100-G105 WeakPolarHBondContact CA-O 3.4Å; V100-F107 VanDerWaalsContact C-CE1 3.47Å |
| 101 | N | 92.6 | Very high | 80 | Confident | 39 Ų | 39 | 102.5 Ų | 102.5 | 21% | 0.209 | 54% | 0.543 | C | S | . | . | trans | -81.9 | 175.5 | -179.1 | 70.1 | 25.9 | 0 | 0 | 0 | 111.3 | L103 G104 G105 F107 R139 | N101-L103 PolarHBondContact O-N 2.93Å; N101-L103 VanDerWaalsContact O-N 3.11Å; N101-L103 WeakPolarHBondContact OD1-CA 3.28Å; N101-L103 WeakPolarHBondContact OD1-CB 3.39Å; N101-L103 PolarHBondContact OD1-N 3Å; N101-G104 PolarHBondContact O-N 3.42Å; N101-G104 PolarHBondContact OD1-N 2.87Å; N101-G104 VanDerWaalsContact OD1-N 3.14Å; N101-G105 VanDerWaalsContact CG-O 3.32Å; N101-G105 PolarHBondContact N-O 2.99Å; N101-G105 WeakPolarHBondContact OD1-CA 3.31Å; N101-G105 PolarHBondContact OD1-N 3.06Å; N101-F107 HydrophobicContact CB-CD1 3.9Å; N101-F107 HydrophobicContact CB-CE1 3.9Å; N101-R139 PolarHBondContact ND2-O 3.42Å | ||
| 102 | Q | 93.5 | Very high | 82.1 | Confident | 208 Ų | 208 | 101.5 Ų | 101.5 | 97% | 0.972 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.1 | 180 | -65.6 | 176.6 | -0.9 | 0 | 0 | 114.3 | G104 | Q102-G104 VanDerWaalsContact C-N 3.33Š|
| 103 | L | 92.6 | Very high | 84.3 | Confident | 65 Ų | 65 | 98.9 Ų | 98.9 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 3.8 | 175.8 | -59.4 | 172.7 | 0 | 0 | 0 | 112 | N101 G105 R139 V140 | N101-L103 PolarHBondContact O-N 2.93Å; N101-L103 VanDerWaalsContact O-N 3.11Å; N101-L103 WeakPolarHBondContact OD1-CA 3.28Å; N101-L103 WeakPolarHBondContact OD1-CB 3.39Å; N101-L103 PolarHBondContact OD1-N 3Å; L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3.1Å; L103-R139 HydrophobicContact CB-CB 4.1Å; L103-R139 WeakPolarHBondContact O-CB 3.28Å; L103-R139 VanDerWaalsContact O-CD 3.3Å; L103-R139 WeakPolarHBondContact O-CD 3.34Å; L103-R139 WeakPolarHBondContact O-CG 3.27Å; L103-V140 WeakPolarHBondContact CD1-O 3.22Å |
| 104 | G | 91.3 | Very high | 86.4 | Confident | 31 Ų | 31 | 95.6 Ų | 95.6 | 32% | 0.32 | 50% | 0.498 | S | S | . | . | S | Bend | trans | 74.1 | 18.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N101 Q102 R139 | N101-G104 PolarHBondContact O-N 3.42Å; N101-G104 PolarHBondContact OD1-N 2.87Å; N101-G104 VanDerWaalsContact OD1-N 3.14Å; Q102-G104 VanDerWaalsContact C-N 3.33Å; G104-R139 WeakPolarHBondContact O-CD 3.41Å; G104-R139 PolarHBondContact O-NH1 2.89Å |
| 105 | G | 92.6 | Very high | 88.4 | Confident | 7 Ų | 7 | 93.5 Ų | 93.5 | 7% | 0.072 | 49% | 0.493 | C | S | . | . | trans | -89.7 | 137.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V100 N101 L103 R139 | V100-G105 WeakPolarHBondContact CA-O 3.4Å; N101-G105 VanDerWaalsContact CG-O 3.32Å; N101-G105 PolarHBondContact N-O 2.99Å; N101-G105 WeakPolarHBondContact OD1-CA 3.31Å; N101-G105 PolarHBondContact OD1-N 3.06Å; L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3.1Å; G105-R139 WeakPolarHBondContact CA-O 3.43Å | ||
| 106 | V | 93.5 | Very high | 90.2 | Very high | 104 Ų | 104 | 91.5 Ų | 91.5 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 130.7 | -178.5 | -177.9 | 0 | 0 | 0 | 0 | 110 | T98 | T98-V106 HydrophobicContact CG2-CG1 3.13Å |
| 107 | F | 92.6 | Very high | 92 | Very high | 80 Ų | 80 | 82.2 Ų | 82.2 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 160.1 | 178.5 | 74.5 | -83.1 | 0 | 0 | 0 | 112.2 | G99 V100 N101 N109 | G99-F107 PolarHBondContact N-O 2.95Å; G99-F107 VanDerWaalsContact O-CD1 3.32Å; G99-F107 WeakPolarHBondContact O-CD1 3.3Å; G99-F107 PolarHBondContact O-N 3.32Å; V100-F107 VanDerWaalsContact C-CE1 3.47Å; N101-F107 HydrophobicContact CB-CD1 3.9Å; N101-F107 HydrophobicContact CB-CE1 3.9Å; F107-N109 HydrophobicContact CE2-CB 4.29Å |
| 108 | V | 92.5 | Very high | 93 | Very high | 53 Ų | 53 | 76 Ų | 76 | 32% | 0.321 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.1 | 172.8 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | G110 R111 | V108-G110 PolarHBondContact O-N 2.74Å; V108-R111 HydrophobicContact CB-CB 4.16Å; V108-R111 HydrophobicContact CB-CG 4.39Å; V108-R111 HydrophobicContact CG1-CB 4.18Å; V108-R111 HydrophobicContact CG1-CG 3.87Å; V108-R111 PolarHBondContact O-N 2.65Å |
| 109 | N | 91.7 | Very high | 93.6 | Very high | 141 Ų | 141 | 76.2 Ų | 76.2 | 75% | 0.754 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 138.7 | -175.9 | -162.5 | 9 | 0 | 0 | 0 | 111.1 | F107 R111 | F107-N109 HydrophobicContact CE2-CB 4.29Å; N109-R111 PolarHBondContact O-N 2.87Å |
| 110 | G | 90.2 | Very high | 93.9 | Very high | 64 Ų | 64 | 80.6 Ų | 80.6 | 66% | 0.66 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | -7.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | V108 | V108-G110 PolarHBondContact O-N 2.74Š|
| 111 | R | 93 | Very high | 94.2 | Very high | 190 Ų | 190 | 75.8 Ų | 75.8 | 72% | 0.717 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -100.7 | 146.3 | 177.1 | -64.5 | -164.8 | 179.6 | -167.1 | -3 | 111.3 | V108 N109 | V108-R111 HydrophobicContact CB-CB 4.16Å; V108-R111 HydrophobicContact CB-CG 4.39Å; V108-R111 HydrophobicContact CG1-CB 4.18Å; V108-R111 HydrophobicContact CG1-CG 3.87Å; V108-R111 PolarHBondContact O-N 2.65Å; N109-R111 PolarHBondContact O-N 2.87Å |
| 112 | P | 94.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 74 Ų | 74 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 149.6 | 173.1 | 28.1 | -33.3 | 0 | 0 | 0 | 110.4 | P160 I163 | P112-P160 HydrophobicContact CB-CB 3.56Å; P112-P160 HydrophobicContact CB-CG 3.86Å; P112-P160 HydrophobicContact CG-CB 4.11Å; P112-P160 HydrophobicContact CG-CG 4Å; P112-I163 HydrophobicContact CB-CD1 4.5Å; P112-I163 HydrophobicContact CG-CD1 4.44Å |
| 113 | L | 94 | Very high | 94.6 | Very high | 31 Ų | 31 | 67.8 Ų | 67.8 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 139.2 | 174.3 | -169.2 | 69.5 | 0 | 0 | 0 | 109.8 | V117 R118 I121 V140 I148 | L113-V117 HydrophobicContact CD1-CB 4.5Å; L113-V117 HydrophobicContact CD1-CG1 4.4Å; L113-V117 HydrophobicContact CD2-CB 3.9Å; L113-V117 HydrophobicContact CD2-CG1 3.61Å; L113-V117 HydrophobicContact CG-CB 3.95Å; L113-V117 HydrophobicContact CG-CG1 4.09Å; L113-R118 HydrophobicContact CB-CG 4.09Å; L113-R118 HydrophobicContact CD2-CG 4.28Å; L113-R118 HydrophobicContact CG-CG 4.41Å; L113-R118 WeakPolarHBondContact O-CD 3.32Å; L113-I121 HydrophobicContact CD2-CD1 3.82Å; L113-V140 HydrophobicContact CD1-CG2 4.33Å; L113-V140 HydrophobicContact CD2-CG1 4.07Å; L113-V140 HydrophobicContact CD2-CG2 3.96Å; L113-I148 HydrophobicContact CD2-CD1 3.93Å |
| 114 | P | 94.7 | Very high | 94.8 | Very high | 67 Ų | 67 | 65.2 Ų | 65.2 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 141.5 | -179.9 | -27.8 | 35.7 | 0 | 0 | 0 | 113.2 | H116 V117 R118 | P114-H116 VanDerWaalsContact C-N 3.27Å; P114-H116 WeakPolarHBondContact CB-CE1 3.36Å; P114-H116 WeakPolarHBondContact CB-ND1 3.4Å; P114-H116 PolarHBondContact O-N 2.99Å; P114-V117 HydrophobicContact CB-CG2 4.33Å; P114-V117 PolarHBondContact O-N 2.71Å; P114-R118 WeakPolarHBondContact O-CG 3.47Å; P114-R118 PolarHBondContact O-N 3.43Å; P114-R118 VanDerWaalsContact O-N 3.14Å |
| 115 | D | 95.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 64.5 Ų | 64.5 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.1 | -35.1 | -172.2 | -73.4 | -23.1 | 0 | 0 | 0 | 113.3 | V117 R118 Q119 | D115-V117 VanDerWaalsContact C-N 3.31Å; D115-V117 PolarHBondContact O-N 3.35Å; D115-R118 WeakPolarHBondContact O-CB 3.35Å; D115-R118 PolarHBondContact O-N 2.85Å; D115-Q119 WeakPolarHBondContact O-CB 3.13Å; D115-Q119 PolarHBondContact O-N 2.83Å |
| 116 | H | 95.7 | Very high | 95.3 | Very high | 139 Ų | 139 | 70.8 Ų | 70.8 | 64% | 0.644 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.5 | -37 | 175.8 | 67 | -91.1 | 0 | 0 | 0 | 112.7 | P114 R120 | P114-H116 VanDerWaalsContact C-N 3.27Å; P114-H116 WeakPolarHBondContact CB-CE1 3.36Å; P114-H116 WeakPolarHBondContact CB-ND1 3.4Å; P114-H116 PolarHBondContact O-N 2.99Å; H116-R120 WeakPolarHBondContact O-CB 3.34Å; H116-R120 PolarHBondContact O-N 3.37Å |
| 117 | V | 96.6 | Very high | 95.5 | Very high | 26 Ų | 26 | 69.8 Ų | 69.8 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73 | -39.3 | 176 | -170.4 | 0 | 0 | 0 | 0 | 110.3 | L113 P114 D115 Q119 R120 I121 L138 V140 | L113-V117 HydrophobicContact CD1-CB 4.5Å; L113-V117 HydrophobicContact CD1-CG1 4.4Å; L113-V117 HydrophobicContact CD2-CB 3.9Å; L113-V117 HydrophobicContact CD2-CG1 3.61Å; L113-V117 HydrophobicContact CG-CB 3.95Å; L113-V117 HydrophobicContact CG-CG1 4.09Å; P114-V117 HydrophobicContact CB-CG2 4.33Å; P114-V117 PolarHBondContact O-N 2.71Å; D115-V117 VanDerWaalsContact C-N 3.31Å; D115-V117 PolarHBondContact O-N 3.35Å; V117-Q119 VanDerWaalsContact C-N 3.32Å; V117-Q119 PolarHBondContact O-N 3.23Å; V117-R120 PolarHBondContact O-N 3.38Å; V117-I121 HydrophobicContact CG1-CD1 4.39Å; V117-I121 VanDerWaalsContact O-CG1 3.32Å; V117-I121 WeakPolarHBondContact O-CG1 3.33Å; V117-I121 PolarHBondContact O-N 3.14Å; V117-L138 HydrophobicContact CG1-CD1 4.44Å; V117-V140 HydrophobicContact CG1-CG2 3.82Å |
| 118 | R | 97.5 | Very high | 95.6 | Very high | 13 Ų | 13 | 69.1 Ų | 69.1 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.3 | -60.5 | 177.1 | 62 | 78.9 | 9 | 111.2 | L113 P114 D115 I121 V122 I148 I158 | L113-R118 HydrophobicContact CB-CG 4.09Å; L113-R118 HydrophobicContact CD2-CG 4.28Å; L113-R118 HydrophobicContact CG-CG 4.41Å; L113-R118 WeakPolarHBondContact O-CD 3.32Å; P114-R118 WeakPolarHBondContact O-CG 3.47Å; P114-R118 PolarHBondContact O-N 3.43Å; P114-R118 VanDerWaalsContact O-N 3.14Å; D115-R118 WeakPolarHBondContact O-CB 3.35Å; D115-R118 PolarHBondContact O-N 2.85Å; R118-I121 PolarHBondContact O-N 3.09Å; R118-V122 PolarHBondContact O-N 3.32Å; R118-I148 HydrophobicContact CG-CD1 4Å; R118-I158 PolarHBondContact NE-O 3.12Å; R118-I158 PolarHBondContact NH2-O 3.03Å |
| 119 | Q | 97.5 | Very high | 95.9 | Very high | 72 Ų | 72 | 68.2 Ų | 68.2 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 173.8 | -179.7 | 61.1 | 21.2 | 0 | 0 | 111 | D115 V117 I121 V122 E123 I158 | D115-Q119 WeakPolarHBondContact O-CB 3.13Å; D115-Q119 PolarHBondContact O-N 2.83Å; V117-Q119 VanDerWaalsContact C-N 3.32Å; V117-Q119 PolarHBondContact O-N 3.23Å; Q119-I121 VanDerWaalsContact C-N 3.32Å; Q119-I121 PolarHBondContact O-N 3.08Å; Q119-V122 PolarHBondContact O-N 3.42Å; Q119-E123 VanDerWaalsContact CG-OE1 3.32Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.35Å; Q119-E123 PolarHBondContact NE2-OE1 3.19Å; Q119-E123 VanDerWaalsContact NE2-OE1 3.15Å; Q119-E123 WeakPolarHBondContact O-CG 3.49Å; Q119-E123 PolarHBondContact O-N 2.94Å; Q119-I158 HydrophobicContact CB-CD1 4.29Å; Q119-I158 VanDerWaalsContact OE1-CD1 3.28Å |
| 120 | R | 97.4 | Very high | 96.1 | Very high | 116 Ų | 116 | 69.8 Ų | 69.8 | 44% | 0.438 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 178.6 | -171.4 | 59 | 178.4 | 175.3 | 1 | 113.5 | H116 V117 V122 E123 L124 L138 | H116-R120 WeakPolarHBondContact O-CB 3.34Å; H116-R120 PolarHBondContact O-N 3.37Å; V117-R120 PolarHBondContact O-N 3.38Å; R120-V122 VanDerWaalsContact C-N 3.3Å; R120-V122 PolarHBondContact O-N 3.5Å; R120-E123 WeakPolarHBondContact CD-OE2 3.41Å; R120-E123 IonicContact NH1-OE2 3.2Å; R120-E123 PolarHBondContact NH1-OE2 3.47Å; R120-E123 PolarHBondContact O-N 3.32Å; R120-L124 HydrophobicContact CG-CD1 4.25Å; R120-L124 HydrophobicContact CG-CG 4.5Å; R120-L124 WeakPolarHBondContact O-CG 3.3Å; R120-L124 PolarHBondContact O-N 3.47Å; R120-L138 HydrophobicContact CB-CD1 4.23Å; R120-L138 HydrophobicContact CB-CD2 4.47Å; R120-L138 HydrophobicContact CG-CD1 4Å; R120-L138 HydrophobicContact CG-CD2 3.63Å; R120-L138 HydrophobicContact CG-CG 4.45Å |
| 121 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 173.4 | -72.9 | 165.6 | 0 | 0 | 0 | 110.5 | L113 V117 R118 Q119 A125 I134 L138 V140 V145 I148 L149 | L113-I121 HydrophobicContact CD2-CD1 3.82Å; V117-I121 HydrophobicContact CG1-CD1 4.39Å; V117-I121 VanDerWaalsContact O-CG1 3.32Å; V117-I121 WeakPolarHBondContact O-CG1 3.33Å; V117-I121 PolarHBondContact O-N 3.14Å; R118-I121 PolarHBondContact O-N 3.09Å; Q119-I121 VanDerWaalsContact C-N 3.32Å; Q119-I121 PolarHBondContact O-N 3.08Å; I121-A125 WeakPolarHBondContact O-CB 3.16Å; I121-A125 PolarHBondContact O-N 3.2Å; I121-A125 VanDerWaalsContact O-N 3.12Å; I121-I134 HydrophobicContact CB-CG2 4.37Å; I121-I134 HydrophobicContact CG1-CG2 4.07Å; I121-I134 HydrophobicContact CG2-CG2 4.3Å; I121-L138 HydrophobicContact CB-CD1 4.35Å; I121-L138 HydrophobicContact CG1-CD1 3.44Å; I121-L138 VanDerWaalsContact CG1-CD1 3.44Å; I121-V140 HydrophobicContact CD1-CG1 4.33Å; I121-V145 HydrophobicContact CD1-CG2 4.3Å; I121-V145 HydrophobicContact CG2-CG1 4.02Å; I121-I148 HydrophobicContact CD1-CD1 3.57Å; I121-I148 HydrophobicContact CG2-CB 4.44Å; I121-I148 HydrophobicContact CG2-CG2 4.1Å; I121-L149 HydrophobicContact CG2-CD2 3.84Å; I121-L149 HydrophobicContact CG2-CG 3.97Å |
| 122 | V | 97.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.5 | -40.8 | -179.8 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | R118 Q119 R120 A125 K126 I148 L149 Y152 I158 | R118-V122 PolarHBondContact O-N 3.32Å; Q119-V122 PolarHBondContact O-N 3.42Å; R120-V122 VanDerWaalsContact C-N 3.3Å; R120-V122 PolarHBondContact O-N 3.5Å; V122-A125 PolarHBondContact O-N 3.08Å; V122-K126 HydrophobicContact CG1-CD 4.2Å; V122-K126 HydrophobicContact CG1-CG 4.48Å; V122-K126 WeakPolarHBondContact O-CG 3.49Å; V122-K126 PolarHBondContact O-N 3.36Å; V122-I148 HydrophobicContact CG2-CG2 4.42Å; V122-L149 HydrophobicContact CG2-CD2 4.43Å; V122-Y152 HydrophobicContact CG1-CD1 3.81Å; V122-Y152 HydrophobicContact CG1-CD2 4.15Å; V122-Y152 HydrophobicContact CG1-CE1 3.5Å; V122-Y152 VanDerWaalsContact CG1-CE1 3.5Å; V122-Y152 HydrophobicContact CG1-CE2 3.89Å; V122-Y152 HydrophobicContact CG1-CG 4.12Å; V122-Y152 HydrophobicContact CG2-CD1 4.21Å; V122-Y152 HydrophobicContact CG2-CD2 4.07Å; V122-Y152 HydrophobicContact CG2-CG 3.88Å; V122-I158 HydrophobicContact CG2-CG2 4.04Å |
| 123 | E | 97.5 | Very high | 96.8 | Very high | 77 Ų | 77 | 62.7 Ų | 62.7 | 36% | 0.36 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 176 | -73 | 169.9 | -173 | 0 | 0 | 112.4 | Q119 R120 A125 K126 S127 | Q119-E123 VanDerWaalsContact CG-OE1 3.32Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.35Å; Q119-E123 PolarHBondContact NE2-OE1 3.19Å; Q119-E123 VanDerWaalsContact NE2-OE1 3.15Å; Q119-E123 WeakPolarHBondContact O-CG 3.49Å; Q119-E123 PolarHBondContact O-N 2.94Å; R120-E123 WeakPolarHBondContact CD-OE2 3.41Å; R120-E123 IonicContact NH1-OE2 3.2Å; R120-E123 PolarHBondContact NH1-OE2 3.47Å; R120-E123 PolarHBondContact O-N 3.32Å; E123-A125 VanDerWaalsContact C-N 3.33Å; E123-A125 PolarHBondContact O-N 3.46Å; E123-K126 WeakPolarHBondContact O-CB 3.37Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-S127 PolarHBondContact O-N 3.19Å |
| 124 | L | 97.5 | Very high | 97 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 178.8 | -69.5 | 172 | 0 | 0 | 0 | 112.1 | R120 K126 S127 G128 V129 I134 L138 | R120-L124 HydrophobicContact CG-CD1 4.25Å; R120-L124 HydrophobicContact CG-CG 4.5Å; R120-L124 WeakPolarHBondContact O-CG 3.3Å; R120-L124 PolarHBondContact O-N 3.47Å; L124-K126 VanDerWaalsContact C-N 3.32Å; L124-S127 WeakPolarHBondContact CA-OG 3.33Å; L124-S127 PolarHBondContact O-N 2.88Å; L124-S127 PolarHBondContact O-OG 3.09Å; L124-G128 PolarHBondContact O-N 3.28Å; L124-V129 HydrophobicContact CB-CB 4.25Å; L124-V129 HydrophobicContact CB-CG2 4.35Å; L124-V129 HydrophobicContact CD2-CG2 4.26Å; L124-V129 VanDerWaalsContact O-CB 3.24Å; L124-V129 WeakPolarHBondContact O-CB 3.41Å; L124-V129 WeakPolarHBondContact O-CG2 3.46Å; L124-V129 PolarHBondContact O-N 2.98Å; L124-I134 HydrophobicContact CB-CD1 3.86Å; L124-I134 HydrophobicContact CB-CG1 3.79Å; L124-I134 HydrophobicContact CD1-CG1 4.36Å; L124-I134 HydrophobicContact CD1-CG2 4.17Å; L124-L138 HydrophobicContact CD1-CD1 3.92Å; L124-L138 HydrophobicContact CD1-CD2 4.11Å; L124-L138 HydrophobicContact CD1-CG 3.96Å |
| 125 | A | 97.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I121 V122 E123 S127 G128 I134 L149 | I121-A125 WeakPolarHBondContact O-CB 3.16Å; I121-A125 PolarHBondContact O-N 3.2Å; I121-A125 VanDerWaalsContact O-N 3.12Å; V122-A125 PolarHBondContact O-N 3.08Å; E123-A125 VanDerWaalsContact C-N 3.33Å; E123-A125 PolarHBondContact O-N 3.46Å; A125-S127 VanDerWaalsContact C-N 3.34Å; A125-G128 PolarHBondContact O-N 3.16Å; A125-G128 VanDerWaalsContact O-N 3.14Å; A125-I134 HydrophobicContact CB-CD1 3.87Å; A125-L149 HydrophobicContact CB-CD1 4.07Å; A125-L149 HydrophobicContact CB-CD2 3.48Å; A125-L149 VanDerWaalsContact CB-CD2 3.48Å; A125-L149 HydrophobicContact CB-CG 4.45Å |
| 126 | K | 96.6 | Very high | 97.2 | Very high | 139 Ų | 139 | 63 Ų | 63 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.1 | -33.5 | 174.8 | -75.3 | 178 | 176.9 | -174.7 | 0 | 112.8 | V122 E123 L124 G128 Y152 | V122-K126 HydrophobicContact CG1-CD 4.2Å; V122-K126 HydrophobicContact CG1-CG 4.48Å; V122-K126 WeakPolarHBondContact O-CG 3.49Å; V122-K126 PolarHBondContact O-N 3.36Å; E123-K126 WeakPolarHBondContact O-CB 3.37Å; E123-K126 PolarHBondContact O-N 3.39Å; L124-K126 VanDerWaalsContact C-N 3.32Å; K126-G128 PolarHBondContact O-N 3.47Å; K126-Y152 WeakPolarHBondContact CE-OH 3.34Å; K126-Y152 PolarHBondContact NZ-OH 3.5Å |
| 127 | S | 96.8 | Very high | 97.2 | Very high | 84 Ų | 84 | 61.8 Ų | 61.8 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 9 | 173.5 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | E123 L124 A125 | E123-S127 PolarHBondContact O-N 3.19Å; L124-S127 WeakPolarHBondContact CA-OG 3.33Å; L124-S127 PolarHBondContact O-N 2.88Å; L124-S127 PolarHBondContact O-OG 3.09Å; A125-S127 VanDerWaalsContact C-N 3.34Å |
| 128 | G | 96.1 | Very high | 97.2 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 67% | 0.67 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 12 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L124 A125 K126 | L124-G128 PolarHBondContact O-N 3.28Å; A125-G128 PolarHBondContact O-N 3.16Å; A125-G128 VanDerWaalsContact O-N 3.14Å; K126-G128 PolarHBondContact O-N 3.47Å |
| 129 | V | 97.4 | Very high | 97.2 | Very high | 35 Ų | 35 | 68.8 Ų | 68.8 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | trans | -72.9 | 134.8 | 178 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | L124 D133 I134 | L124-V129 HydrophobicContact CB-CB 4.25Å; L124-V129 HydrophobicContact CB-CG2 4.35Å; L124-V129 HydrophobicContact CD2-CG2 4.26Å; L124-V129 VanDerWaalsContact O-CB 3.24Å; L124-V129 WeakPolarHBondContact O-CB 3.41Å; L124-V129 WeakPolarHBondContact O-CG2 3.46Å; L124-V129 PolarHBondContact O-N 2.98Å; V129-D133 HydrophobicContact CG1-CB 3.76Å; V129-I134 HydrophobicContact CB-CD1 4.42Å; V129-I134 HydrophobicContact CB-CG1 4.03Å; V129-I134 HydrophobicContact CG1-CG1 3.72Å | ||
| 130 | R | 97.5 | Very high | 97.1 | Very high | 174 Ų | 174 | 65.8 Ų | 65.8 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | trans | -65.6 | 141.4 | -179.1 | -56.5 | 174.2 | 68.2 | 173.5 | 0.9 | 110.1 | C132 D133 I134 | R130-C132 VanDerWaalsContact CB-SG 3.57Å; R130-C132 PolarHBondContact O-N 2.92Å; R130-D133 WeakPolarHBondContact CB-OD2 3.4Å; R130-D133 PolarHBondContact O-N 3.18Å; R130-I134 WeakPolarHBondContact O-CG1 3.36Å; R130-I134 PolarHBondContact O-N 3.42Å; R130-I134 VanDerWaalsContact O-N 3.08Å | ||
| 131 | P | 97.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55 | -30.3 | 179.9 | -28.5 | 35.2 | 0 | 0 | 0 | 114.8 | S135 V145 L149 | P131-S135 WeakPolarHBondContact O-CB 3.31Å; P131-S135 PolarHBondContact O-N 3.48Å; P131-S135 VanDerWaalsContact O-N 3.11Å; P131-V145 HydrophobicContact CB-CG1 4.36Å; P131-L149 HydrophobicContact CB-CD1 4.4Å; P131-L149 HydrophobicContact CG-CD1 4.22Å |
| 132 | C | 97.2 | Very high | 97.1 | Very high | 44 Ų | 44 | 68.5 Ų | 68.5 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 173.8 | 58 | 0 | 0 | 0 | 0 | 112.6 | R130 S135 R136 | R130-C132 VanDerWaalsContact CB-SG 3.57Å; R130-C132 PolarHBondContact O-N 2.92Å; C132-S135 WeakPolarHBondContact O-CB 3.4Å; C132-S135 PolarHBondContact O-N 2.95Å; C132-R136 WeakPolarHBondContact O-CG 3.35Å; C132-R136 PolarHBondContact O-N 3.02Å |
| 133 | D | 97.7 | Very high | 97 | Very high | 61 Ų | 61 | 70.2 Ų | 70.2 | 33% | 0.326 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -76.7 | -38 | -178.1 | -56.8 | -30.5 | 0 | 0 | 0 | 110 | V129 R130 S135 R136 Q137 | V129-D133 HydrophobicContact CG1-CB 3.76Å; R130-D133 WeakPolarHBondContact CB-OD2 3.4Å; R130-D133 PolarHBondContact O-N 3.18Å; D133-S135 VanDerWaalsContact C-N 3.29Å; D133-S135 PolarHBondContact O-N 3.46Å; D133-R136 PolarHBondContact O-N 3.42Å; D133-Q137 WeakPolarHBondContact O-CB 3.5Å; D133-Q137 VanDerWaalsContact O-CG 3.25Å; D133-Q137 WeakPolarHBondContact O-CG 3.46Å; D133-Q137 PolarHBondContact O-N 2.84Å |
| 134 | I | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.1 | -46.1 | 171.7 | -60 | 177.5 | 0 | 0 | 0 | 110.7 | I121 L124 A125 V129 R130 R136 Q137 L138 V145 | I121-I134 HydrophobicContact CB-CG2 4.37Å; I121-I134 HydrophobicContact CG1-CG2 4.07Å; I121-I134 HydrophobicContact CG2-CG2 4.3Å; L124-I134 HydrophobicContact CB-CD1 3.86Å; L124-I134 HydrophobicContact CB-CG1 3.79Å; L124-I134 HydrophobicContact CD1-CG1 4.36Å; L124-I134 HydrophobicContact CD1-CG2 4.17Å; A125-I134 HydrophobicContact CB-CD1 3.87Å; V129-I134 HydrophobicContact CB-CD1 4.42Å; V129-I134 HydrophobicContact CB-CG1 4.03Å; V129-I134 HydrophobicContact CG1-CG1 3.72Å; R130-I134 WeakPolarHBondContact O-CG1 3.36Å; R130-I134 PolarHBondContact O-N 3.42Å; R130-I134 VanDerWaalsContact O-N 3.08Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.02Å; I134-Q137 PolarHBondContact O-N 3.04Å; I134-L138 HydrophobicContact CG2-CD1 3.83Å; I134-L138 HydrophobicContact CG2-CG 4.4Å; I134-L138 WeakPolarHBondContact O-CB 3.44Å; I134-L138 PolarHBondContact O-N 3.22Å; I134-V145 HydrophobicContact CB-CG1 4.32Å; I134-V145 HydrophobicContact CG2-CG1 4.05Å; I134-V145 HydrophobicContact CG2-CG2 4.35Å |
| 135 | S | 97.6 | Very high | 97 | Very high | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 178.6 | 175.7 | 0 | 0 | 0 | 0 | 112 | P131 C132 D133 R139 V140 H142 | P131-S135 WeakPolarHBondContact O-CB 3.31Å; P131-S135 PolarHBondContact O-N 3.48Å; P131-S135 VanDerWaalsContact O-N 3.11Å; C132-S135 WeakPolarHBondContact O-CB 3.4Å; C132-S135 PolarHBondContact O-N 2.95Å; D133-S135 VanDerWaalsContact C-N 3.29Å; D133-S135 PolarHBondContact O-N 3.46Å; S135-R139 CarbonylContact O-C 3.55Å; S135-R139 VanDerWaalsContact O-CA 3.27Å; S135-R139 WeakPolarHBondContact O-CA 3.15Å; S135-R139 PolarHBondContact O-N 3.29Å; S135-V140 WeakPolarHBondContact CA-O 3.43Å; S135-V140 WeakPolarHBondContact CB-O 3.4Å; S135-V140 PolarHBondContact O-N 2.78Å; S135-V140 PolarHBondContact OG-O 2.94Å; S135-H142 PolarHBondContact OG-N 3.11Å |
| 136 | R | 96.9 | Very high | 97 | Very high | 180 Ų | 180 | 70.1 Ų | 70.1 | 68% | 0.679 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72 | -44.2 | 179.2 | -66.6 | 178.7 | -171.7 | -78.7 | 1.3 | 112.3 | C132 D133 I134 R139 | C132-R136 WeakPolarHBondContact O-CG 3.35Å; C132-R136 PolarHBondContact O-N 3.02Å; D133-R136 PolarHBondContact O-N 3.42Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.02Å; R136-R139 PolarHBondContact O-N 3.36Å |
| 137 | Q | 96.5 | Very high | 97 | Very high | 114 Ų | 114 | 71.3 Ų | 71.3 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | -179.2 | -72.4 | 175.6 | 24 | 0 | 0 | 112 | D133 I134 R139 | D133-Q137 WeakPolarHBondContact O-CB 3.5Å; D133-Q137 VanDerWaalsContact O-CG 3.25Å; D133-Q137 WeakPolarHBondContact O-CG 3.46Å; D133-Q137 PolarHBondContact O-N 2.84Å; I134-Q137 PolarHBondContact O-N 3.04Å; Q137-R139 VanDerWaalsContact C-N 3.33Å |
| 138 | L | 96.3 | Very high | 97 | Very high | 46 Ų | 46 | 67.6 Ų | 67.6 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -3.2 | -178.8 | -58.7 | -178 | 0 | 0 | 0 | 113.2 | V117 R120 I121 L124 I134 V140 | V117-L138 HydrophobicContact CG1-CD1 4.44Å; R120-L138 HydrophobicContact CB-CD1 4.23Å; R120-L138 HydrophobicContact CB-CD2 4.47Å; R120-L138 HydrophobicContact CG-CD1 4Å; R120-L138 HydrophobicContact CG-CD2 3.63Å; R120-L138 HydrophobicContact CG-CG 4.45Å; I121-L138 HydrophobicContact CB-CD1 4.35Å; I121-L138 HydrophobicContact CG1-CD1 3.44Å; I121-L138 VanDerWaalsContact CG1-CD1 3.44Å; L124-L138 HydrophobicContact CD1-CD1 3.92Å; L124-L138 HydrophobicContact CD1-CD2 4.11Å; L124-L138 HydrophobicContact CD1-CG 3.96Å; I134-L138 HydrophobicContact CG2-CD1 3.83Å; I134-L138 HydrophobicContact CG2-CG 4.4Å; I134-L138 WeakPolarHBondContact O-CB 3.44Å; I134-L138 PolarHBondContact O-N 3.22Å; L138-V140 HydrophobicContact CB-CG2 4.07Å; L138-V140 PolarHBondContact O-N 2.99Å |
| 139 | R | 96.7 | Very high | 97.1 | Very high | 139 Ų | 139 | 65 Ų | 65 | 53% | 0.525 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36.5 | -175 | -52.8 | 179.5 | 178.3 | -169.8 | -0.6 | 112.6 | N101 L103 G104 G105 S135 R136 Q137 | N101-R139 PolarHBondContact ND2-O 3.42Å; L103-R139 HydrophobicContact CB-CB 4.1Å; L103-R139 WeakPolarHBondContact O-CB 3.28Å; L103-R139 VanDerWaalsContact O-CD 3.3Å; L103-R139 WeakPolarHBondContact O-CD 3.34Å; L103-R139 WeakPolarHBondContact O-CG 3.27Å; G104-R139 WeakPolarHBondContact O-CD 3.41Å; G104-R139 PolarHBondContact O-NH1 2.89Å; G105-R139 WeakPolarHBondContact CA-O 3.43Å; S135-R139 CarbonylContact O-C 3.55Å; S135-R139 VanDerWaalsContact O-CA 3.27Å; S135-R139 WeakPolarHBondContact O-CA 3.15Å; S135-R139 PolarHBondContact O-N 3.29Å; R136-R139 PolarHBondContact O-N 3.36Å; Q137-R139 VanDerWaalsContact C-N 3.33Å |
| 140 | V | 96.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | trans | -104.6 | 140.4 | 177.4 | 174.4 | 0 | 0 | 0 | 0 | 108.3 | L103 L113 V117 I121 S135 L138 H142 C144 V145 | L103-V140 WeakPolarHBondContact CD1-O 3.22Å; L113-V140 HydrophobicContact CD1-CG2 4.33Å; L113-V140 HydrophobicContact CD2-CG1 4.07Å; L113-V140 HydrophobicContact CD2-CG2 3.96Å; V117-V140 HydrophobicContact CG1-CG2 3.82Å; I121-V140 HydrophobicContact CD1-CG1 4.33Å; S135-V140 WeakPolarHBondContact CA-O 3.43Å; S135-V140 WeakPolarHBondContact CB-O 3.4Å; S135-V140 PolarHBondContact O-N 2.78Å; S135-V140 PolarHBondContact OG-O 2.94Å; L138-V140 HydrophobicContact CB-CG2 4.07Å; L138-V140 PolarHBondContact O-N 2.99Å; V140-H142 PolarHBondContact O-N 3.29Å; V140-C144 HydrophobicContact CG1-CB 3.65Å; V140-V145 HydrophobicContact CB-CG2 4.11Å; V140-V145 HydrophobicContact CG1-CG2 3.89Å | ||
| 141 | S | 96.6 | Very high | 97 | Very high | 64 Ų | 64 | 60.4 Ų | 60.4 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | trans | -58.6 | 140.1 | 179.8 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | G143 C144 V145 | S141-G143 PolarHBondContact O-N 3.1Å; S141-C144 WeakPolarHBondContact O-CA 3.47Å; S141-C144 WeakPolarHBondContact O-CB 3.18Å; S141-C144 PolarHBondContact O-N 3.44Å; S141-C144 WeakPolarHBondContact OG-CB 3.26Å; S141-C144 PolarHBondContact OG-N 3.18Å; S141-V145 PolarHBondContact O-N 3.44Å; S141-V145 VanDerWaalsContact O-N 3.1Å | ||
| 142 | H | 97.2 | Very high | 97 | Very high | 108 Ų | 108 | 59.9 Ų | 59.9 | 50% | 0.5 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -53.1 | -40.7 | -179.4 | -179.6 | -98.5 | 0 | 0 | 0 | 112.3 | S135 V140 C144 V145 S146 | S135-H142 PolarHBondContact OG-N 3.11Å; V140-H142 PolarHBondContact O-N 3.29Å; H142-C144 VanDerWaalsContact C-N 3.31Å; H142-C144 PolarHBondContact O-N 3.03Å; H142-V145 PolarHBondContact O-N 3.31Å; H142-S146 WeakPolarHBondContact O-CB 3.49Å; H142-S146 PolarHBondContact O-N 3.39Å |
| 143 | G | 96.8 | Very high | 97 | Very high | 38 Ų | 38 | 65.1 Ų | 65.1 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -31.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | S141 K147 | S141-G143 PolarHBondContact O-N 3.1Å; G143-K147 VanDerWaalsContact O-CG 3.26Å; G143-K147 WeakPolarHBondContact O-CG 3.45Å; G143-K147 PolarHBondContact O-N 3.1Å |
| 144 | C | 96.4 | Very high | 96.9 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.8 | -44.4 | 174.1 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | V140 S141 H142 S146 K147 I148 | V140-C144 HydrophobicContact CG1-CB 3.65Å; S141-C144 WeakPolarHBondContact O-CA 3.47Å; S141-C144 WeakPolarHBondContact O-CB 3.18Å; S141-C144 PolarHBondContact O-N 3.44Å; S141-C144 WeakPolarHBondContact OG-CB 3.26Å; S141-C144 PolarHBondContact OG-N 3.18Å; H142-C144 VanDerWaalsContact C-N 3.31Å; H142-C144 PolarHBondContact O-N 3.03Å; C144-S146 VanDerWaalsContact C-N 3.34Å; C144-S146 PolarHBondContact O-N 3.48Å; C144-K147 PolarHBondContact O-N 2.86Å; C144-I148 WeakPolarHBondContact O-CG1 3.34Å; C144-I148 PolarHBondContact O-N 3.26Å |
| 145 | V | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 175 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | I121 P131 I134 V140 S141 H142 K147 I148 L149 | I121-V145 HydrophobicContact CD1-CG2 4.3Å; I121-V145 HydrophobicContact CG2-CG1 4.02Å; P131-V145 HydrophobicContact CB-CG1 4.36Å; I134-V145 HydrophobicContact CB-CG1 4.32Å; I134-V145 HydrophobicContact CG2-CG1 4.05Å; I134-V145 HydrophobicContact CG2-CG2 4.35Å; V140-V145 HydrophobicContact CB-CG2 4.11Å; V140-V145 HydrophobicContact CG1-CG2 3.89Å; S141-V145 PolarHBondContact O-N 3.44Å; S141-V145 VanDerWaalsContact O-N 3.1Å; H142-V145 PolarHBondContact O-N 3.31Å; V145-K147 PolarHBondContact O-N 3.17Å; V145-I148 PolarHBondContact O-N 3.04Å; V145-L149 HydrophobicContact CG1-CD1 3.88Å; V145-L149 HydrophobicContact CG1-CG 4.37Å; V145-L149 WeakPolarHBondContact O-CG 3.43Å; V145-L149 PolarHBondContact O-N 3.38Å |
| 146 | S | 97.6 | Very high | 96.6 | Very high | 69 Ų | 69 | 75.9 Ų | 75.9 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 178.1 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | H142 C144 I148 L149 G150 | H142-S146 WeakPolarHBondContact O-CB 3.49Å; H142-S146 PolarHBondContact O-N 3.39Å; C144-S146 VanDerWaalsContact C-N 3.34Å; C144-S146 PolarHBondContact O-N 3.48Å; S146-I148 VanDerWaalsContact C-N 3.35Å; S146-I148 PolarHBondContact O-N 3.49Å; S146-L149 PolarHBondContact O-N 2.94Å; S146-G150 PolarHBondContact O-N 3.05Å |
| 147 | K | 97.1 | Very high | 96.5 | Very high | 164 Ų | 164 | 69.6 Ų | 69.6 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.3 | -38 | 176.6 | -73.4 | 175.2 | -158.1 | -178 | 0 | 113.2 | G143 C144 V145 R151 | G143-K147 VanDerWaalsContact O-CG 3.26Å; G143-K147 WeakPolarHBondContact O-CG 3.45Å; G143-K147 PolarHBondContact O-N 3.1Å; C144-K147 PolarHBondContact O-N 2.86Å; V145-K147 PolarHBondContact O-N 3.17Å; K147-R151 PolarHBondContact O-N 3.08Å; K147-R151 VanDerWaalsContact O-N 3.17Å |
| 148 | I | 97.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.7 | -47.8 | -179.6 | -68.4 | 170.5 | 0 | 0 | 0 | 110 | L113 R118 I121 V122 C144 V145 S146 Y152 | L113-I148 HydrophobicContact CD2-CD1 3.93Å; R118-I148 HydrophobicContact CG-CD1 4Å; I121-I148 HydrophobicContact CD1-CD1 3.57Å; I121-I148 HydrophobicContact CG2-CB 4.44Å; I121-I148 HydrophobicContact CG2-CG2 4.1Å; V122-I148 HydrophobicContact CG2-CG2 4.42Å; C144-I148 WeakPolarHBondContact O-CG1 3.34Å; C144-I148 PolarHBondContact O-N 3.26Å; V145-I148 PolarHBondContact O-N 3.04Å; S146-I148 VanDerWaalsContact C-N 3.35Å; S146-I148 PolarHBondContact O-N 3.49Å; I148-Y152 WeakPolarHBondContact O-CB 3.45Å; I148-Y152 PolarHBondContact O-N 3.41Å |
| 149 | L | 97.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 70.8 Ų | 70.8 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 178.8 | -66.8 | 178.6 | 0 | 0 | 0 | 111.7 | I121 V122 A125 P131 V145 S146 R151 Y152 Y153 | I121-L149 HydrophobicContact CG2-CD2 3.84Å; I121-L149 HydrophobicContact CG2-CG 3.97Å; V122-L149 HydrophobicContact CG2-CD2 4.43Å; A125-L149 HydrophobicContact CB-CD1 4.07Å; A125-L149 HydrophobicContact CB-CD2 3.48Å; A125-L149 VanDerWaalsContact CB-CD2 3.48Å; A125-L149 HydrophobicContact CB-CG 4.45Å; P131-L149 HydrophobicContact CB-CD1 4.4Å; P131-L149 HydrophobicContact CG-CD1 4.22Å; V145-L149 HydrophobicContact CG1-CD1 3.88Å; V145-L149 HydrophobicContact CG1-CG 4.37Å; V145-L149 WeakPolarHBondContact O-CG 3.43Å; V145-L149 PolarHBondContact O-N 3.38Å; S146-L149 PolarHBondContact O-N 2.94Å; L149-R151 PolarHBondContact O-N 3.11Å; L149-Y152 PolarHBondContact O-N 2.87Å; L149-Y152 VanDerWaalsContact O-N 3.13Å; L149-Y153 HydrophobicContact CB-CD2 4.39Å; L149-Y153 HydrophobicContact CB-CE2 3.9Å; L149-Y153 WeakPolarHBondContact O-CD2 3.39Å; L149-Y153 PolarHBondContact O-N 2.71Å |
| 150 | G | 96.7 | Very high | 96.2 | Very high | 26 Ų | 26 | 66.1 Ų | 66.1 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.2 | -53 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S146 Y152 Y153 E154 | S146-G150 PolarHBondContact O-N 3.05Å; G150-Y152 VanDerWaalsContact C-N 3.31Å; G150-Y152 PolarHBondContact O-N 3.46Å; G150-Y153 PolarHBondContact O-N 3.05Å; G150-E154 WeakPolarHBondContact O-CG 3.48Å; G150-E154 PolarHBondContact O-N 3.44Å; G150-E154 VanDerWaalsContact O-N 3.07Å |
| 151 | R | 96.3 | Very high | 95.9 | Very high | 88 Ų | 88 | 67.5 Ų | 67.5 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 175.4 | -174.7 | -167.3 | -70.4 | 153.3 | 1.9 | 112.2 | K147 L149 Y153 E154 T155 K159 | K147-R151 PolarHBondContact O-N 3.08Å; K147-R151 VanDerWaalsContact O-N 3.17Å; L149-R151 PolarHBondContact O-N 3.11Å; R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.39Å; R151-E154 PolarHBondContact O-N 3.09Å; R151-T155 HydrophobicContact CG-CG2 4.07Å; R151-T155 WeakPolarHBondContact CG-OG1 3.41Å; R151-T155 WeakPolarHBondContact O-CB 3.23Å; R151-T155 PolarHBondContact O-N 3.3Å; R151-T155 PolarHBondContact O-OG1 3.38Å; R151-K159 PolarHBondContact NH1-O 2.87Å |
| 152 | Y | 97.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 71.6 Ų | 71.6 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | -179.2 | 179.9 | -104.7 | 0 | 0 | 0 | 111.5 | V122 K126 I148 L149 G150 E154 G156 I158 | V122-Y152 HydrophobicContact CG1-CD1 3.81Å; V122-Y152 HydrophobicContact CG1-CD2 4.15Å; V122-Y152 HydrophobicContact CG1-CE1 3.5Å; V122-Y152 VanDerWaalsContact CG1-CE1 3.5Å; V122-Y152 HydrophobicContact CG1-CE2 3.89Å; V122-Y152 HydrophobicContact CG1-CG 4.12Å; V122-Y152 HydrophobicContact CG2-CD1 4.21Å; V122-Y152 HydrophobicContact CG2-CD2 4.07Å; V122-Y152 HydrophobicContact CG2-CG 3.88Å; K126-Y152 WeakPolarHBondContact CE-OH 3.34Å; K126-Y152 PolarHBondContact NZ-OH 3.5Å; I148-Y152 WeakPolarHBondContact O-CB 3.45Å; I148-Y152 PolarHBondContact O-N 3.41Å; L149-Y152 PolarHBondContact O-N 2.87Å; L149-Y152 VanDerWaalsContact O-N 3.13Å; G150-Y152 VanDerWaalsContact C-N 3.31Å; G150-Y152 PolarHBondContact O-N 3.46Å; Y152-E154 VanDerWaalsContact C-N 3.35Å; Y152-G156 WeakPolarHBondContact CE2-O 3.46Å; Y152-G156 WeakPolarHBondContact O-CA 3.36Å; Y152-G156 PolarHBondContact O-N 3.07Å; Y152-I158 HydrophobicContact CD2-CG2 4.02Å; Y152-I158 HydrophobicContact CE2-CG2 4.24Å |
| 153 | Y | 96.6 | Very high | 95.2 | Very high | 154 Ų | 154 | 72.2 Ų | 72.2 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -71 | -29.4 | 176.4 | -61.5 | -47.1 | 0 | 0 | 0 | 113.1 | L149 G150 R151 | L149-Y153 HydrophobicContact CB-CD2 4.39Å; L149-Y153 HydrophobicContact CB-CE2 3.9Å; L149-Y153 WeakPolarHBondContact O-CD2 3.39Å; L149-Y153 PolarHBondContact O-N 2.71Å; G150-Y153 PolarHBondContact O-N 3.05Å; R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.39Å |
| 154 | E | 96.3 | Very high | 94.7 | Very high | 162 Ų | 162 | 73.5 Ų | 73.5 | 76% | 0.757 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -79.5 | -40.2 | 176.8 | -70.6 | 167 | -165.4 | 0 | 0 | 113.6 | G150 R151 Y152 | G150-E154 WeakPolarHBondContact O-CG 3.48Å; G150-E154 PolarHBondContact O-N 3.44Å; G150-E154 VanDerWaalsContact O-N 3.07Å; R151-E154 PolarHBondContact O-N 3.09Å; Y152-E154 VanDerWaalsContact C-N 3.35Å |
| 155 | T | 94.8 | Very high | 94.3 | Very high | 85 Ų | 85 | 75.9 Ų | 75.9 | 52% | 0.521 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -117.6 | -15.9 | -167.5 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | R151 S157 | R151-T155 HydrophobicContact CG-CG2 4.07Å; R151-T155 WeakPolarHBondContact CG-OG1 3.41Å; R151-T155 WeakPolarHBondContact O-CB 3.23Å; R151-T155 PolarHBondContact O-N 3.3Å; R151-T155 PolarHBondContact O-OG1 3.38Å; T155-S157 PolarHBondContact O-N 3.27Å; T155-S157 VanDerWaalsContact O-N 3.16Å; T155-S157 PolarHBondContact OG1-N 2.99Å; T155-S157 VanDerWaalsContact OG1-N 3.16Å |
| 156 | G | 94.5 | Very high | 93.8 | Very high | 50 Ų | 50 | 81.1 Ų | 81.1 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | S | Bend | trans | 69.5 | -1.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y152 | Y152-G156 WeakPolarHBondContact CE2-O 3.46Å; Y152-G156 WeakPolarHBondContact O-CA 3.36Å; Y152-G156 PolarHBondContact O-N 3.07Å |
| 157 | S | 94.7 | Very high | 93 | Very high | 47 Ų | 47 | 85.7 Ų | 85.7 | 33% | 0.329 | 49% | 0.493 | S | S | . | . | trans | -99.6 | 128.6 | -174.6 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | T155 K159 | T155-S157 PolarHBondContact O-N 3.27Å; T155-S157 VanDerWaalsContact O-N 3.16Å; T155-S157 PolarHBondContact OG1-N 2.99Å; T155-S157 VanDerWaalsContact OG1-N 3.16Å; S157-K159 VanDerWaalsContact C-N 3.29Å; S157-K159 PolarHBondContact OG-N 3.05Å; S157-K159 VanDerWaalsContact OG-N 3.13Å | ||
| 158 | I | 94.6 | Very high | 92 | Very high | 42 Ų | 42 | 82 Ų | 82 | 22% | 0.215 | 49% | 0.486 | C | S | . | . | trans | -78 | -15.7 | 169.1 | 68.3 | 176.3 | 0 | 0 | 0 | 111.9 | R118 Q119 V122 Y152 | R118-I158 PolarHBondContact NE-O 3.12Å; R118-I158 PolarHBondContact NH2-O 3.03Å; Q119-I158 HydrophobicContact CB-CD1 4.29Å; Q119-I158 VanDerWaalsContact OE1-CD1 3.28Å; V122-I158 HydrophobicContact CG2-CG2 4.04Å; Y152-I158 HydrophobicContact CD2-CG2 4.02Å; Y152-I158 HydrophobicContact CE2-CG2 4.24Å | ||
| 159 | K | 94.6 | Very high | 90.9 | Very high | 144 Ų | 144 | 91 Ų | 91 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -68.8 | 142.9 | -170.6 | -71 | -179.5 | 173.5 | 172.3 | 0 | 111.5 | R151 S157 | R151-K159 PolarHBondContact NH1-O 2.87Å; S157-K159 VanDerWaalsContact C-N 3.29Å; S157-K159 PolarHBondContact OG-N 3.05Å; S157-K159 VanDerWaalsContact OG-N 3.13Å |
| 160 | P | 93.2 | Very high | 89.6 | Confident | 41 Ų | 41 | 93.2 Ų | 93.2 | 27% | 0.266 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 146.7 | 168.6 | 25.8 | -32.3 | 0 | 0 | 0 | 110.3 | P112 | P112-P160 HydrophobicContact CB-CB 3.56Å; P112-P160 HydrophobicContact CB-CG 3.86Å; P112-P160 HydrophobicContact CG-CB 4.11Å; P112-P160 HydrophobicContact CG-CG 4Å |
| 161 | G | 91.2 | Very high | 88.8 | Confident | 39 Ų | 39 | 93.2 Ų | 93.2 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 158.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I163 | G161-I163 PolarHBondContact O-N 3.02Š|
| 162 | V | 91.4 | Very high | 88.3 | Confident | 149 Ų | 149 | 92.2 Ų | 92.2 | 90% | 0.903 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 120.1 | 177 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | ||
| 163 | I | 87.6 | Confident | 87.9 | Confident | 122 Ų | 122 | 96.2 Ų | 96.2 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -99 | 133.3 | 178 | -61.5 | 170.6 | 0 | 0 | 0 | 108.1 | P112 G161 | P112-I163 HydrophobicContact CB-CD1 4.5Å; P112-I163 HydrophobicContact CG-CD1 4.44Å; G161-I163 PolarHBondContact O-N 3.02Å |
| 164 | G | 86.2 | Confident | 87.7 | Confident | 65 Ų | 65 | 97 Ų | 97 | 67% | 0.67 | 57% | 0.572 | S | S | * | * | trans | 85 | -173.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 165 | G | 87.1 | Confident | 87.6 | Confident | 84 Ų | 84 | 89.6 Ų | 89.6 | 87% | 0.866 | 54% | 0.537 | S | S | * | . | trans | 96.6 | 159.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 166 | S | 87.3 | Confident | 87.5 | Confident | 110 Ų | 110 | 87.1 Ų | 87.1 | 77% | 0.769 | 52% | 0.522 | S | S | * | . | trans | -122.4 | 145.5 | 172.9 | 60.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 167 | K | 80.9 | Confident | 87.4 | Confident | 164 Ų | 164 | 88.2 Ų | 88.2 | 71% | 0.713 | 52% | 0.522 | S | S | * | . | trans | -64.4 | 138.6 | 169.2 | -66 | -179.4 | 179.6 | 179.1 | 0 | 108.2 | K169 | K167-K169 PolarHBondContact O-N 3.12Å; K167-K169 VanDerWaalsContact O-N 3.14Å | ||
| 168 | P | 75.8 | Confident | 87.4 | Confident | 86 Ų | 86 | 86.8 Ų | 86.8 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | trans | -60.9 | 119.4 | 179.7 | 24.2 | -32.5 | 0 | 0 | 0 | 109.9 | A171 | P168-A171 HydrophobicContact CB-CB 4.29Š| ||
| 169 | K | 73.5 | Confident | 87.4 | Confident | 195 Ų | 195 | 84.9 Ų | 84.9 | 85% | 0.848 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -75.7 | -43 | -178.1 | -69.1 | -173 | 175.1 | -174.2 | 0 | 113.1 | K167 | K167-K169 PolarHBondContact O-N 3.12Å; K167-K169 VanDerWaalsContact O-N 3.14Å |
| 170 | V | 70.2 | Confident | 87.4 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 35% | 0.345 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -117.4 | -27.2 | -171 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | T172 N208 P210 | V170-T172 PolarHBondContact O-N 3.41Å; V170-N208 VanDerWaalsContact CG1-O 3.23Å; V170-N208 WeakPolarHBondContact CG1-O 3.33Å; V170-P210 HydrophobicContact CG1-CB 4.02Å |
| 171 | A | 80 | Confident | 87.5 | Confident | 26 Ų | 26 | 78.6 Ų | 78.6 | 22% | 0.215 | 48% | 0.484 | C | S | . | . | trans | -84.6 | 59.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P168 V176 I218 | P168-A171 HydrophobicContact CB-CB 4.29Å; A171-V176 HydrophobicContact CB-CG2 3.95Å; A171-I218 HydrophobicContact CB-CD1 4.09Å | ||
| 172 | T | 86.8 | Confident | 87.7 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 41% | 0.411 | 47% | 0.467 | S | S | . | . | trans | -62.2 | 151.3 | 173.6 | 66 | 0 | 0 | 0 | 0 | 110.2 | V170 K174 V175 V176 | V170-T172 PolarHBondContact O-N 3.41Å; T172-K174 PolarHBondContact O-N 3.31Å; T172-K174 VanDerWaalsContact O-N 3.1Å; T172-V175 PolarHBondContact O-N 3.5Å; T172-V175 VanDerWaalsContact OG1-CG2 3.3Å; T172-V175 WeakPolarHBondContact OG1-CG2 3.32Å; T172-V176 WeakPolarHBondContact O-CG2 3.44Å; T172-V176 PolarHBondContact O-N 3.19Å | ||
| 173 | N | 89.4 | Confident | 87.8 | Confident | 132 Ų | 132 | 72.8 Ų | 72.8 | 71% | 0.706 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.8 | -31 | -177.9 | -71.4 | -2.2 | 0 | 0 | 0 | 112.9 | S177 | N173-S177 VanDerWaalsContact O-CB 3.3Å; N173-S177 WeakPolarHBondContact O-CB 3.03Å; N173-S177 PolarHBondContact O-N 3.17Å; N173-S177 PolarHBondContact O-OG 2.85Å |
| 174 | K | 91.4 | Very high | 88.1 | Confident | 171 Ų | 171 | 75.9 Ų | 75.9 | 74% | 0.743 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.3 | -52.7 | 174.5 | -66.5 | -173.2 | 178.1 | -175 | 0 | 111.3 | T172 V176 S177 A178 | T172-K174 PolarHBondContact O-N 3.31Å; T172-K174 VanDerWaalsContact O-N 3.1Å; K174-V176 PolarHBondContact O-N 3.07Å; K174-S177 PolarHBondContact O-N 3.28Å; K174-A178 PolarHBondContact O-N 3.27Å |
| 175 | V | 93.4 | Very high | 88.5 | Confident | 6 Ų | 6 | 78.7 Ų | 78.7 | 4% | 0.036 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 179.2 | 176.4 | 0 | 0 | 0 | 0 | 111 | T172 S177 A178 I179 L198 I203 C204 P210 | T172-V175 PolarHBondContact O-N 3.5Å; T172-V175 VanDerWaalsContact OG1-CG2 3.3Å; T172-V175 WeakPolarHBondContact OG1-CG2 3.32Å; V175-S177 VanDerWaalsContact C-N 3.28Å; V175-S177 PolarHBondContact O-N 2.91Å; V175-A178 PolarHBondContact O-N 3.48Å; V175-I179 HydrophobicContact CG1-CD1 3.79Å; V175-I179 HydrophobicContact CG1-CG1 4.38Å; V175-I179 VanDerWaalsContact O-CG1 3.27Å; V175-I179 WeakPolarHBondContact O-CG1 3.17Å; V175-I179 PolarHBondContact O-N 3.13Å; V175-L198 HydrophobicContact CG1-CD1 4.2Å; V175-L198 HydrophobicContact CG1-CD2 4.38Å; V175-I203 HydrophobicContact CG2-CG2 4.15Å; V175-C204 WeakPolarHBondContact CG2-SG 3.1Å; V175-P210 HydrophobicContact CG1-CG 3.96Å |
| 176 | V | 93.4 | Very high | 88.8 | Confident | 32 Ų | 32 | 78 Ų | 78 | 19% | 0.194 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | A171 T172 K174 A180 I218 K222 | A171-V176 HydrophobicContact CB-CG2 3.95Å; T172-V176 WeakPolarHBondContact O-CG2 3.44Å; T172-V176 PolarHBondContact O-N 3.19Å; K174-V176 PolarHBondContact O-N 3.07Å; V176-A180 PolarHBondContact O-N 3.36Å; V176-I218 HydrophobicContact CB-CG2 4.46Å; V176-I218 HydrophobicContact CG1-CG2 4.03Å; V176-I218 HydrophobicContact CG2-CD1 4.28Å; V176-I218 HydrophobicContact CG2-CG2 4.3Å; V176-K222 HydrophobicContact CG1-CD 3.79Å; V176-K222 PolarHBondContact O-NZ 3.24Å |
| 177 | S | 93.1 | Very high | 89.1 | Confident | 74 Ų | 74 | 77.3 Ų | 77.3 | 52% | 0.517 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.5 | -46 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | N173 K174 V175 A180 G181 | N173-S177 VanDerWaalsContact O-CB 3.3Å; N173-S177 WeakPolarHBondContact O-CB 3.03Å; N173-S177 PolarHBondContact O-N 3.17Å; N173-S177 PolarHBondContact O-OG 2.85Å; K174-S177 PolarHBondContact O-N 3.28Å; V175-S177 VanDerWaalsContact C-N 3.28Å; V175-S177 PolarHBondContact O-N 2.91Å; S177-A180 PolarHBondContact O-N 3.13Å; S177-G181 PolarHBondContact O-N 2.82Å |
| 178 | A | 94.2 | Very high | 89.8 | Confident | 17 Ų | 17 | 75 Ų | 75 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K174 V175 A180 G181 Y182 L198 I203 | K174-A178 PolarHBondContact O-N 3.27Å; V175-A178 PolarHBondContact O-N 3.48Å; A178-A180 PolarHBondContact O-N 2.72Å; A178-G181 WeakPolarHBondContact O-CA 3.33Å; A178-G181 PolarHBondContact O-N 3.47Å; A178-Y182 HydrophobicContact CB-CE2 4.05Å; A178-Y182 WeakPolarHBondContact O-CD2 3.32Å; A178-Y182 PolarHBondContact O-N 3.16Å; A178-L198 HydrophobicContact CB-CD2 3.87Å; A178-I203 HydrophobicContact CB-CD1 3.53Å; A178-I203 HydrophobicContact CB-CG2 4.41Å |
| 179 | I | 95.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.8 | -41.4 | 176.4 | -69.8 | 167.7 | 0 | 0 | 0 | 111.4 | V175 K183 I194 L198 P210 I215 I218 V219 | V175-I179 HydrophobicContact CG1-CD1 3.79Å; V175-I179 HydrophobicContact CG1-CG1 4.38Å; V175-I179 VanDerWaalsContact O-CG1 3.27Å; V175-I179 WeakPolarHBondContact O-CG1 3.17Å; V175-I179 PolarHBondContact O-N 3.13Å; I179-K183 PolarHBondContact O-N 3.49Å; I179-I194 HydrophobicContact CB-CG2 4.42Å; I179-I194 HydrophobicContact CG1-CG2 3.87Å; I179-I194 HydrophobicContact CG2-CG2 4.33Å; I179-L198 HydrophobicContact CD1-CD1 4.2Å; I179-L198 HydrophobicContact CG1-CD1 3.9Å; I179-L198 HydrophobicContact CG1-CD2 4.48Å; I179-P210 HydrophobicContact CD1-CG 4.34Å; I179-I215 HydrophobicContact CD1-CG1 4.18Å; I179-I215 HydrophobicContact CD1-CG2 4.46Å; I179-I215 HydrophobicContact CG2-CG2 4.19Å; I179-I218 HydrophobicContact CB-CG2 4.4Å; I179-I218 HydrophobicContact CD1-CB 4.47Å; I179-I218 HydrophobicContact CD1-CD1 3.66Å; I179-I218 HydrophobicContact CD1-CG2 4.2Å; I179-I218 HydrophobicContact CG2-CG2 4.05Å; I179-V219 HydrophobicContact CG2-CG2 3.77Å |
| 180 | A | 94.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 68.4 Ų | 68.4 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -74.5 | -30.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V176 S177 A178 K184 K222 | V176-A180 PolarHBondContact O-N 3.36Å; S177-A180 PolarHBondContact O-N 3.13Å; A178-A180 PolarHBondContact O-N 2.72Å; A180-K184 WeakPolarHBondContact O-CB 3.42Å; A180-K184 PolarHBondContact O-N 3.16Å; A180-K222 HydrophobicContact CB-CD 3.8Å |
| 181 | G | 94.9 | Very high | 93 | Very high | 27 Ų | 27 | 66 Ų | 66 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.9 | -52 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S177 A178 K183 K184 Q185 | S177-G181 PolarHBondContact O-N 2.82Å; A178-G181 WeakPolarHBondContact O-CA 3.33Å; A178-G181 PolarHBondContact O-N 3.47Å; G181-K183 PolarHBondContact O-N 2.83Å; G181-K184 PolarHBondContact O-N 2.83Å; G181-Q185 WeakPolarHBondContact O-CG 3.5Å; G181-Q185 PolarHBondContact O-N 3.01Å |
| 182 | Y | 95.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 71 Ų | 71 | 5% | 0.051 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 178.8 | -56 | -44.8 | 0 | 0 | 0 | 112.7 | A178 K184 Q185 N186 I194 R197 L198 D201 I203 | A178-Y182 HydrophobicContact CB-CE2 4.05Å; A178-Y182 WeakPolarHBondContact O-CD2 3.32Å; A178-Y182 PolarHBondContact O-N 3.16Å; Y182-K184 VanDerWaalsContact C-N 3.31Å; Y182-K184 PolarHBondContact O-N 2.86Å; Y182-Q185 PolarHBondContact O-N 3.42Å; Y182-N186 PolarHBondContact O-N 3.06Å; Y182-I194 HydrophobicContact CD2-CG2 4.18Å; Y182-R197 HydrophobicContact CD2-CB 4.44Å; Y182-R197 HydrophobicContact CE2-CB 4.18Å; Y182-L198 HydrophobicContact CE2-CD2 3.79Å; Y182-L198 HydrophobicContact CE2-CG 4.03Å; Y182-D201 WeakPolarHBondContact CE1-OD2 3.35Å; Y182-D201 VanDerWaalsContact CZ-OD2 3.29Å; Y182-D201 VanDerWaalsContact OH-CG 3.27Å; Y182-D201 PolarHBondContact OH-OD2 2.78Å; Y182-I203 VanDerWaalsContact OH-CD1 3.23Å; Y182-I203 WeakPolarHBondContact OH-CD1 3.39Å |
| 183 | K | 94.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 70.9 Ų | 70.9 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.9 | -29.4 | 175.2 | -85.1 | -58 | -157 | 174.9 | 0 | 113.8 | I179 G181 N186 P187 M189 I194 V219 | I179-K183 PolarHBondContact O-N 3.49Å; G181-K183 PolarHBondContact O-N 2.83Å; K183-N186 CarbonylContact O-C 3.49Å; K183-P187 PolarHBondContact NZ-O 3.39Å; K183-P187 WeakPolarHBondContact O-CA 3.36Å; K183-M189 VanDerWaalsContact CE-O 3.22Å; K183-M189 WeakPolarHBondContact CE-O 3.49Å; K183-M189 PolarHBondContact NZ-O 3.12Å; K183-I194 HydrophobicContact CD-CD1 3.91Å; K183-I194 HydrophobicContact CG-CD1 3.74Å; K183-V219 HydrophobicContact CG-CG1 4.23Å; K183-V219 HydrophobicContact CG-CG2 3.91Å |
| 184 | K | 93.7 | Very high | 94.6 | Very high | 187 Ų | 187 | 64.6 Ų | 64.6 | 81% | 0.813 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -73.6 | -38.2 | 175.4 | -175.6 | -178.8 | 178.4 | -172.6 | 0 | 111.3 | A180 G181 Y182 | A180-K184 WeakPolarHBondContact O-CB 3.42Å; A180-K184 PolarHBondContact O-N 3.16Å; G181-K184 PolarHBondContact O-N 2.83Å; Y182-K184 VanDerWaalsContact C-N 3.31Å; Y182-K184 PolarHBondContact O-N 2.86Å |
| 185 | Q | 94.6 | Very high | 94.9 | Very high | 124 Ų | 124 | 60.7 Ų | 60.7 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.8 | -49.1 | 176.3 | -69.9 | 168.2 | 10.3 | 0 | 0 | 110.9 | G181 Y182 | G181-Q185 WeakPolarHBondContact O-CG 3.5Å; G181-Q185 PolarHBondContact O-N 3.01Å; Y182-Q185 PolarHBondContact O-N 3.42Å |
| 186 | N | 93.4 | Very high | 95 | Very high | 69 Ų | 69 | 63.4 Ų | 63.4 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | trans | -132 | 93.8 | -176.8 | -66 | -29.7 | 0 | 0 | 0 | 110 | Y182 K183 T188 M189 | Y182-N186 PolarHBondContact O-N 3.06Å; K183-N186 CarbonylContact O-C 3.49Å; N186-T188 PolarHBondContact O-N 3.27Å; N186-M189 HydrophobicContact CB-CB 4.05Å; N186-M189 HydrophobicContact CB-CE 4.15Å; N186-M189 VanDerWaalsContact O-CB 3.27Å; N186-M189 WeakPolarHBondContact O-CB 3.37Å; N186-M189 PolarHBondContact O-N 2.74Å; N186-M189 VanDerWaalsContact O-N 3.13Å | ||
| 187 | P | 93.7 | Very high | 95.1 | Very high | 96 Ų | 96 | 66.8 Ų | 66.8 | 62% | 0.623 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -25.9 | -178.3 | 24.2 | -33.2 | 0 | 0 | 0 | 113.2 | K183 M189 | K183-P187 PolarHBondContact NZ-O 3.39Å; K183-P187 WeakPolarHBondContact O-CA 3.36Å; P187-M189 VanDerWaalsContact C-N 3.28Å; P187-M189 PolarHBondContact O-N 3.27Å |
| 188 | T | 94.5 | Very high | 95.2 | Very high | 116 Ų | 116 | 63.3 Ų | 63.3 | 71% | 0.712 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15 | 177 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | N186 F190 | N186-T188 PolarHBondContact O-N 3.27Å; T188-F190 PolarHBondContact O-N 3.33Å |
| 189 | M | 94.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 65.3 Ų | 65.3 | 6% | 0.064 | 32% | 0.321 | C | S | . | . | trans | -62 | 124.7 | -175 | -172.6 | -177 | -76.6 | 0 | 0 | 111.5 | K183 N186 P187 E193 I194 R197 | K183-M189 VanDerWaalsContact CE-O 3.22Å; K183-M189 WeakPolarHBondContact CE-O 3.49Å; K183-M189 PolarHBondContact NZ-O 3.12Å; N186-M189 HydrophobicContact CB-CB 4.05Å; N186-M189 HydrophobicContact CB-CE 4.15Å; N186-M189 VanDerWaalsContact O-CB 3.27Å; N186-M189 WeakPolarHBondContact O-CB 3.37Å; N186-M189 PolarHBondContact O-N 2.74Å; N186-M189 VanDerWaalsContact O-N 3.13Å; P187-M189 VanDerWaalsContact C-N 3.28Å; P187-M189 PolarHBondContact O-N 3.27Å; M189-E193 VanDerWaalsContact CA-OE2 3.24Å; M189-E193 WeakPolarHBondContact CA-OE2 3.5Å; M189-E193 HydrophobicContact CG-CB 3.64Å; M189-E193 WeakPolarHBondContact CG-OE2 3.09Å; M189-E193 HydrophobicContact SD-CB 4.47Å; M189-I194 HydrophobicContact CG-CG1 3.85Å; M189-I194 HydrophobicContact SD-CG1 3.57Å; M189-I194 VanDerWaalsContact SD-CG1 3.57Å; M189-R197 HydrophobicContact CE-CG 4.32Å; M189-R197 HydrophobicContact SD-CG 4.36Å | ||
| 190 | F | 96.2 | Very high | 95.3 | Very high | 129 Ų | 129 | 69.2 Ų | 69.2 | 57% | 0.566 | 35% | 0.353 | S | S | * | . | trans | -74.3 | 159 | -178.8 | -66.3 | -75.5 | 0 | 0 | 0 | 112.2 | T188 W192 E193 I194 | T188-F190 PolarHBondContact O-N 3.33Å; F190-W192 VanDerWaalsContact C-N 3.27Å; F190-W192 HydrophobicContact CB-CG 4.34Å; F190-W192 VanDerWaalsContact CB-NE1 3.3Å; F190-W192 AromaticContact CG-NE1 3.78Å; F190-W192 PolarHBondContact O-N 3.02Å; F190-E193 HydrophobicContact CB-CG 4.2Å; F190-E193 PolarHBondContact N-OE2 3.2Å; F190-E193 WeakPolarHBondContact O-CB 3.5Å; F190-E193 PolarHBondContact O-N 3.5Å; F190-E193 VanDerWaalsContact O-N 3.12Å; F190-I194 WeakPolarHBondContact O-CG1 3.36Å; F190-I194 PolarHBondContact O-N 3.16Å | ||
| 191 | A | 96.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 72 Ų | 72 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.9 | -27.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R195 V212 I215 N216 | A191-R195 PolarHBondContact O-N 3.34Å; A191-R195 VanDerWaalsContact O-N 3.11Å; A191-V212 HydrophobicContact CB-CG1 3.66Å; A191-I215 HydrophobicContact CB-CB 4.25Å; A191-I215 HydrophobicContact CB-CG2 3.91Å; A191-I215 WeakPolarHBondContact O-CD1 3.5Å; A191-N216 VanDerWaalsContact CB-OD1 3.28Å; A191-N216 WeakPolarHBondContact CB-OD1 3.32Å |
| 192 | W | 96.3 | Very high | 95.1 | Very high | 132 Ų | 132 | 73.7 Ų | 73.7 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.6 | -39.4 | 171.8 | 64.4 | -94.3 | 0 | 0 | 0 | 111.1 | F190 I194 R195 D196 V212 | F190-W192 VanDerWaalsContact C-N 3.27Å; F190-W192 HydrophobicContact CB-CG 4.34Å; F190-W192 VanDerWaalsContact CB-NE1 3.3Å; F190-W192 AromaticContact CG-NE1 3.78Å; F190-W192 PolarHBondContact O-N 3.02Å; W192-I194 VanDerWaalsContact C-N 3.3Å; W192-I194 PolarHBondContact O-N 3.05Å; W192-R195 VanDerWaalsContact O-CB 3.28Å; W192-R195 WeakPolarHBondContact O-CB 3.45Å; W192-R195 PolarHBondContact O-N 3.44Å; W192-R195 VanDerWaalsContact O-N 3.12Å; W192-D196 VanDerWaalsContact O-CG 3.26Å; W192-D196 PolarHBondContact O-N 2.93Å; W192-V212 HydrophobicContact CB-CG2 4.27Å |
| 193 | E | 97.6 | Very high | 94.9 | Very high | 63 Ų | 63 | 76.2 Ų | 76.2 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 173.7 | -62.4 | 176.2 | 147 | 0 | 0 | 111.6 | M189 F190 R195 D196 R197 | M189-E193 VanDerWaalsContact CA-OE2 3.24Å; M189-E193 WeakPolarHBondContact CA-OE2 3.5Å; M189-E193 HydrophobicContact CG-CB 3.64Å; M189-E193 WeakPolarHBondContact CG-OE2 3.09Å; M189-E193 HydrophobicContact SD-CB 4.47Å; F190-E193 HydrophobicContact CB-CG 4.2Å; F190-E193 PolarHBondContact N-OE2 3.2Å; F190-E193 WeakPolarHBondContact O-CB 3.5Å; F190-E193 PolarHBondContact O-N 3.5Å; F190-E193 VanDerWaalsContact O-N 3.12Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-D196 PolarHBondContact O-N 3.29Å; E193-R197 WeakPolarHBondContact O-CB 3.44Å; E193-R197 PolarHBondContact O-N 3.27Å |
| 194 | I | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 174.2 | -68.5 | 168.9 | 0 | 0 | 0 | 110.9 | I179 Y182 K183 M189 F190 W192 D196 R197 L198 I215 | I179-I194 HydrophobicContact CB-CG2 4.42Å; I179-I194 HydrophobicContact CG1-CG2 3.87Å; I179-I194 HydrophobicContact CG2-CG2 4.33Å; Y182-I194 HydrophobicContact CD2-CG2 4.18Å; K183-I194 HydrophobicContact CD-CD1 3.91Å; K183-I194 HydrophobicContact CG-CD1 3.74Å; M189-I194 HydrophobicContact CG-CG1 3.85Å; M189-I194 HydrophobicContact SD-CG1 3.57Å; M189-I194 VanDerWaalsContact SD-CG1 3.57Å; F190-I194 WeakPolarHBondContact O-CG1 3.36Å; F190-I194 PolarHBondContact O-N 3.16Å; W192-I194 VanDerWaalsContact C-N 3.3Å; W192-I194 PolarHBondContact O-N 3.05Å; I194-D196 VanDerWaalsContact C-N 3.32Å; I194-D196 PolarHBondContact O-N 3.38Å; I194-R197 PolarHBondContact O-N 3.45Å; I194-L198 HydrophobicContact CG2-CD1 4.17Å; I194-L198 HydrophobicContact CG2-CG 4.46Å; I194-L198 VanDerWaalsContact O-CG 3.28Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 3.03Å; I194-I215 HydrophobicContact CB-CG2 4.16Å; I194-I215 HydrophobicContact CD1-CG2 4.18Å; I194-I215 HydrophobicContact CG2-CD1 4.34Å; I194-I215 HydrophobicContact CG2-CG2 3.82Å |
| 195 | R | 96 | Very high | 94.7 | Very high | 89 Ų | 89 | 70 Ų | 70 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 176.8 | -173.3 | -166.8 | 61 | -169.4 | -6.7 | 110.7 | A191 W192 E193 L198 L199 V209 I215 | A191-R195 PolarHBondContact O-N 3.34Å; A191-R195 VanDerWaalsContact O-N 3.11Å; W192-R195 VanDerWaalsContact O-CB 3.28Å; W192-R195 WeakPolarHBondContact O-CB 3.45Å; W192-R195 PolarHBondContact O-N 3.44Å; W192-R195 VanDerWaalsContact O-N 3.12Å; E193-R195 VanDerWaalsContact C-N 3.33Å; R195-L198 WeakPolarHBondContact O-CB 3.33Å; R195-L198 PolarHBondContact O-N 3.18Å; R195-L199 PolarHBondContact O-N 2.88Å; R195-V209 HydrophobicContact CG-CG2 3.44Å; R195-V209 VanDerWaalsContact CG-CG2 3.44Å; R195-I215 HydrophobicContact CB-CD1 3.67Å; R195-I215 HydrophobicContact CG-CD1 4.29Å |
| 196 | D | 96.3 | Very high | 94.5 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.342 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.5 | -36.3 | -176.7 | -57.6 | -10.7 | 0 | 0 | 0 | 110.9 | W192 E193 I194 L199 A200 | W192-D196 VanDerWaalsContact O-CG 3.26Å; W192-D196 PolarHBondContact O-N 2.93Å; E193-D196 PolarHBondContact O-N 3.29Å; I194-D196 VanDerWaalsContact C-N 3.32Å; I194-D196 PolarHBondContact O-N 3.38Å; D196-L199 PolarHBondContact O-N 3.2Å; D196-A200 WeakPolarHBondContact O-CB 3.48Å; D196-A200 PolarHBondContact O-N 3.1Å |
| 197 | R | 95.5 | Very high | 94.4 | Very high | 103 Ų | 103 | 75.2 Ų | 75.2 | 39% | 0.389 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 168.5 | -88.7 | -90.9 | -170.9 | 165.2 | 0.9 | 113.2 | Y182 M189 E193 I194 L199 A200 D201 | Y182-R197 HydrophobicContact CD2-CB 4.44Å; Y182-R197 HydrophobicContact CE2-CB 4.18Å; M189-R197 HydrophobicContact CE-CG 4.32Å; M189-R197 HydrophobicContact SD-CG 4.36Å; E193-R197 WeakPolarHBondContact O-CB 3.44Å; E193-R197 PolarHBondContact O-N 3.27Å; I194-R197 PolarHBondContact O-N 3.45Å; R197-L199 VanDerWaalsContact C-N 3.26Å; R197-L199 PolarHBondContact O-N 3.49Å; R197-A200 PolarHBondContact O-N 2.87Å; R197-D201 WeakPolarHBondContact O-CB 3.39Å; R197-D201 PolarHBondContact O-N 3.44Å |
| 198 | L | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 178.7 | -76.1 | 167.4 | 0 | 0 | 0 | 112.4 | V175 A178 I179 Y182 I194 R195 I203 C204 P210 I215 | V175-L198 HydrophobicContact CG1-CD1 4.2Å; V175-L198 HydrophobicContact CG1-CD2 4.38Å; A178-L198 HydrophobicContact CB-CD2 3.87Å; I179-L198 HydrophobicContact CD1-CD1 4.2Å; I179-L198 HydrophobicContact CG1-CD1 3.9Å; I179-L198 HydrophobicContact CG1-CD2 4.48Å; Y182-L198 HydrophobicContact CE2-CD2 3.79Å; Y182-L198 HydrophobicContact CE2-CG 4.03Å; I194-L198 HydrophobicContact CG2-CD1 4.17Å; I194-L198 HydrophobicContact CG2-CG 4.46Å; I194-L198 VanDerWaalsContact O-CG 3.28Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 3.03Å; R195-L198 WeakPolarHBondContact O-CB 3.33Å; R195-L198 PolarHBondContact O-N 3.18Å; L198-I203 HydrophobicContact CD2-CB 4.16Å; L198-I203 HydrophobicContact CD2-CD1 4.29Å; L198-I203 HydrophobicContact CD2-CG2 4.1Å; L198-I203 PolarHBondContact O-N 2.91Å; L198-I203 VanDerWaalsContact O-N 3.08Å; L198-C204 HydrophobicContact CB-CB 4.47Å; L198-C204 PolarHBondContact O-N 2.88Å; L198-P210 HydrophobicContact CD1-CG 4.07Å; L198-I215 HydrophobicContact CD1-CD1 4.5Å |
| 199 | L | 95.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.4 | -43 | 173.8 | -66.8 | 170.8 | 0 | 0 | 0 | 111.1 | R195 D196 R197 D201 G202 C204 V209 | R195-L199 PolarHBondContact O-N 2.88Å; D196-L199 PolarHBondContact O-N 3.2Å; R197-L199 VanDerWaalsContact C-N 3.26Å; R197-L199 PolarHBondContact O-N 3.49Å; L199-D201 PolarHBondContact O-N 2.97Å; L199-G202 PolarHBondContact O-N 3.42Å; L199-G202 VanDerWaalsContact O-N 3.16Å; L199-C204 WeakPolarHBondContact CD2-O 3.49Å; L199-V209 HydrophobicContact CD2-CB 4.06Å; L199-V209 HydrophobicContact CD2-CG1 4.47Å; L199-V209 HydrophobicContact CD2-CG2 4.23Å; L199-V209 HydrophobicContact CG-CG2 4.19Å |
| 200 | A | 95.1 | Very high | 94 | Very high | 82 Ų | 82 | 70.3 Ų | 70.3 | 68% | 0.678 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D196 R197 G202 | D196-A200 WeakPolarHBondContact O-CB 3.48Å; D196-A200 PolarHBondContact O-N 3.1Å; R197-A200 PolarHBondContact O-N 2.87Å; A200-G202 PolarHBondContact O-N 2.66Å |
| 201 | D | 93.9 | Very high | 93.9 | Very high | 86 Ų | 86 | 67.6 Ų | 67.6 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.2 | 178.6 | -70.1 | 3.5 | 0 | 0 | 0 | 112.5 | Y182 R197 L199 I203 | Y182-D201 WeakPolarHBondContact CE1-OD2 3.35Å; Y182-D201 VanDerWaalsContact CZ-OD2 3.29Å; Y182-D201 VanDerWaalsContact OH-CG 3.27Å; Y182-D201 PolarHBondContact OH-OD2 2.78Å; R197-D201 WeakPolarHBondContact O-CB 3.39Å; R197-D201 PolarHBondContact O-N 3.44Å; L199-D201 PolarHBondContact O-N 2.97Å; D201-I203 HydrophobicContact CB-CD1 4.04Å; D201-I203 HydrophobicContact CB-CG1 3.92Å; D201-I203 PolarHBondContact O-N 3.2Å |
| 202 | G | 91.8 | Very high | 93.8 | Very high | 61 Ų | 61 | 69.6 Ų | 69.6 | 63% | 0.629 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 21.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L199 A200 | L199-G202 PolarHBondContact O-N 3.42Å; L199-G202 VanDerWaalsContact O-N 3.16Å; A200-G202 PolarHBondContact O-N 2.66Å |
| 203 | I | 91.9 | Very high | 93.8 | Very high | 67 Ų | 67 | 67.1 Ų | 67.1 | 34% | 0.344 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -78.6 | -32.6 | 179.8 | -57.3 | -179.5 | 0 | 0 | 0 | 110.5 | V175 A178 Y182 L198 D201 | V175-I203 HydrophobicContact CG2-CG2 4.15Å; A178-I203 HydrophobicContact CB-CD1 3.53Å; A178-I203 HydrophobicContact CB-CG2 4.41Å; Y182-I203 VanDerWaalsContact OH-CD1 3.23Å; Y182-I203 WeakPolarHBondContact OH-CD1 3.39Å; L198-I203 HydrophobicContact CD2-CB 4.16Å; L198-I203 HydrophobicContact CD2-CD1 4.29Å; L198-I203 HydrophobicContact CD2-CG2 4.1Å; L198-I203 PolarHBondContact O-N 2.91Å; L198-I203 VanDerWaalsContact O-N 3.08Å; D201-I203 HydrophobicContact CB-CD1 4.04Å; D201-I203 HydrophobicContact CB-CG1 3.92Å; D201-I203 PolarHBondContact O-N 3.2Å |
| 204 | C | 92 | Very high | 93.6 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -126.1 | 145.3 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | V175 L198 L199 V209 | V175-C204 WeakPolarHBondContact CG2-SG 3.1Å; L198-C204 HydrophobicContact CB-CB 4.47Å; L198-C204 PolarHBondContact O-N 2.88Å; L199-C204 WeakPolarHBondContact CD2-O 3.49Å; C204-V209 HydrophobicContact CB-CB 4.03Å; C204-V209 HydrophobicContact CB-CG2 4.28Å |
| 205 | D | 91.8 | Very high | 93.5 | Very high | 101 Ų | 101 | 65.7 Ų | 65.7 | 54% | 0.54 | 37% | 0.374 | S | S | . | . | trans | -84.4 | 171.5 | 162.3 | -47.3 | -63.4 | 0 | 0 | 0 | 110.6 | D207 N208 V209 | D205-D207 PolarHBondContact O-N 3.22Å; D205-D207 VanDerWaalsContact O-N 3.15Å; D205-N208 HydrophobicContact CB-CB 4.49Å; D205-N208 PolarHBondContact O-N 2.85Å; D205-N208 VanDerWaalsContact O-N 3.08Å; D205-N208 PolarHBondContact OD2-ND2 3.35Å; D205-V209 PolarHBondContact O-N 3.02Å | ||
| 206 | H | 90.9 | Very high | 93.5 | Very high | 156 Ų | 156 | 64.6 Ų | 64.6 | 72% | 0.722 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.8 | 179.3 | -160.5 | -78.7 | 0 | 0 | 0 | 113.6 | V209 | H206-V209 WeakPolarHBondContact O-CG1 3.3Š|
| 207 | D | 89.7 | Confident | 93.4 | Very high | 148 Ų | 148 | 69.4 Ų | 69.4 | 79% | 0.791 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -24.9 | 177.6 | -60.1 | -40.2 | 0 | 0 | 0 | 113.2 | D205 | D205-D207 PolarHBondContact O-N 3.22Å; D205-D207 VanDerWaalsContact O-N 3.15Å |
| 208 | N | 90 | Very high | 93.3 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -5.2 | -174.8 | -70 | -30.5 | 0 | 0 | 0 | 112.6 | V170 D205 | V170-N208 VanDerWaalsContact CG1-O 3.23Å; V170-N208 WeakPolarHBondContact CG1-O 3.33Å; D205-N208 HydrophobicContact CB-CB 4.49Å; D205-N208 PolarHBondContact O-N 2.85Å; D205-N208 VanDerWaalsContact O-N 3.08Å; D205-N208 PolarHBondContact OD2-ND2 3.35Å |
| 209 | V | 91.7 | Very high | 93.1 | Very high | 29 Ų | 29 | 66.7 Ų | 66.7 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 128.7 | -177.8 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | R195 L199 C204 D205 H206 | R195-V209 HydrophobicContact CG-CG2 3.44Å; R195-V209 VanDerWaalsContact CG-CG2 3.44Å; L199-V209 HydrophobicContact CD2-CB 4.06Å; L199-V209 HydrophobicContact CD2-CG1 4.47Å; L199-V209 HydrophobicContact CD2-CG2 4.23Å; L199-V209 HydrophobicContact CG-CG2 4.19Å; C204-V209 HydrophobicContact CB-CB 4.03Å; C204-V209 HydrophobicContact CB-CG2 4.28Å; D205-V209 PolarHBondContact O-N 3.02Å; H206-V209 WeakPolarHBondContact O-CG1 3.3Å |
| 210 | P | 92.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.013 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 143.4 | 176.8 | 26.4 | -33.4 | 0 | 0 | 0 | 111.3 | V170 V175 I179 L198 I215 | V170-P210 HydrophobicContact CG1-CB 4.02Å; V175-P210 HydrophobicContact CG1-CG 3.96Å; I179-P210 HydrophobicContact CD1-CG 4.34Å; L198-P210 HydrophobicContact CD1-CG 4.07Å; P210-I215 HydrophobicContact CB-CG1 4Å; P210-I215 HydrophobicContact CG-CD1 4.11Å; P210-I215 HydrophobicContact CG-CG1 3.68Å |
| 211 | S | 94 | Very high | 92.6 | Very high | 73 Ų | 73 | 72.5 Ų | 72.5 | 51% | 0.51 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 154.8 | 172.3 | 69 | 0 | 0 | 0 | 0 | 111.6 | S213 S214 I215 | S211-S213 PolarHBondContact O-N 3.22Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S211-S214 WeakPolarHBondContact O-CA 3.44Å; S211-S214 VanDerWaalsContact O-CB 3.31Å; S211-S214 WeakPolarHBondContact O-CB 3.49Å; S211-S214 PolarHBondContact O-N 3.15Å; S211-S214 PolarHBondContact OG-N 3.25Å; S211-I215 PolarHBondContact O-N 2.59Å |
| 212 | V | 95.9 | Very high | 92 | Very high | 49 Ų | 49 | 70.7 Ų | 70.7 | 30% | 0.297 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -52.6 | -39.6 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | A191 W192 I215 N216 | A191-V212 HydrophobicContact CB-CG1 3.66Å; W192-V212 HydrophobicContact CB-CG2 4.27Å; V212-I215 PolarHBondContact O-N 3.05Å; V212-N216 PolarHBondContact O-N 2.82Å; V212-N216 PolarHBondContact O-ND2 2.76Å |
| 213 | S | 95.3 | Very high | 91 | Very high | 80 Ų | 80 | 72.1 Ų | 72.1 | 56% | 0.559 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 174.5 | -58 | 0 | 0 | 0 | 0 | 113.2 | S211 N216 R217 | S211-S213 PolarHBondContact O-N 3.22Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S213-N216 PolarHBondContact O-N 3.11Å; S213-R217 WeakPolarHBondContact O-CG 3.27Å; S213-R217 PolarHBondContact O-N 2.84Å; S213-R217 VanDerWaalsContact O-N 3.08Å |
| 214 | S | 93.1 | Very high | 89.8 | Confident | 32 Ų | 32 | 71.6 Ų | 71.6 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66 | -44 | 175.5 | -172 | 0 | 0 | 0 | 0 | 111.3 | S211 N216 R217 I218 | S211-S214 WeakPolarHBondContact O-CA 3.44Å; S211-S214 VanDerWaalsContact O-CB 3.31Å; S211-S214 WeakPolarHBondContact O-CB 3.49Å; S211-S214 PolarHBondContact O-N 3.15Å; S211-S214 PolarHBondContact OG-N 3.25Å; S214-N216 VanDerWaalsContact C-N 3.35Å; S214-N216 PolarHBondContact O-N 3.08Å; S214-R217 WeakPolarHBondContact O-CB 3.47Å; S214-R217 PolarHBondContact O-N 3.47Å; S214-R217 VanDerWaalsContact O-N 3.09Å; S214-I218 WeakPolarHBondContact O-CG1 3.43Å; S214-I218 PolarHBondContact O-N 3.45Å |
| 215 | I | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 175.1 | -63.7 | 169.4 | 0 | 0 | 0 | 110.3 | I179 A191 I194 R195 L198 P210 S211 V212 R217 I218 V219 | I179-I215 HydrophobicContact CD1-CG1 4.18Å; I179-I215 HydrophobicContact CD1-CG2 4.46Å; I179-I215 HydrophobicContact CG2-CG2 4.19Å; A191-I215 HydrophobicContact CB-CB 4.25Å; A191-I215 HydrophobicContact CB-CG2 3.91Å; A191-I215 WeakPolarHBondContact O-CD1 3.5Å; I194-I215 HydrophobicContact CB-CG2 4.16Å; I194-I215 HydrophobicContact CD1-CG2 4.18Å; I194-I215 HydrophobicContact CG2-CD1 4.34Å; I194-I215 HydrophobicContact CG2-CG2 3.82Å; R195-I215 HydrophobicContact CB-CD1 3.67Å; R195-I215 HydrophobicContact CG-CD1 4.29Å; L198-I215 HydrophobicContact CD1-CD1 4.5Å; P210-I215 HydrophobicContact CB-CG1 4Å; P210-I215 HydrophobicContact CG-CD1 4.11Å; P210-I215 HydrophobicContact CG-CG1 3.68Å; S211-I215 PolarHBondContact O-N 2.59Å; V212-I215 PolarHBondContact O-N 3.05Å; I215-R217 VanDerWaalsContact C-N 3.29Å; I215-R217 PolarHBondContact O-N 3.19Å; I215-I218 WeakPolarHBondContact O-CB 3.25Å; I215-I218 PolarHBondContact O-N 2.99Å; I215-I218 VanDerWaalsContact O-N 3.09Å; I215-V219 HydrophobicContact CG2-CG2 4.33Å; I215-V219 WeakPolarHBondContact O-CG2 3.39Å; I215-V219 PolarHBondContact O-N 3.12Å |
| 216 | N | 95.9 | Very high | 87 | Confident | 67 Ų | 67 | 77.5 Ų | 77.5 | 36% | 0.358 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62 | -33.2 | 176.6 | -81.6 | -32.7 | 0 | 0 | 0 | 113.4 | A191 V212 S213 S214 R220 | A191-N216 VanDerWaalsContact CB-OD1 3.28Å; A191-N216 WeakPolarHBondContact CB-OD1 3.32Å; V212-N216 PolarHBondContact O-N 2.82Å; V212-N216 PolarHBondContact O-ND2 2.76Å; S213-N216 PolarHBondContact O-N 3.11Å; S214-N216 VanDerWaalsContact C-N 3.35Å; S214-N216 PolarHBondContact O-N 3.08Å; N216-R220 WeakPolarHBondContact O-CG 3.3Å; N216-R220 PolarHBondContact O-N 3.47Å; N216-R220 PolarHBondContact O-NE 2.86Å |
| 217 | R | 93.9 | Very high | 85.5 | Confident | 164 Ų | 164 | 73 Ų | 73 | 62% | 0.619 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.1 | -45.5 | 171.6 | -70.8 | 171.5 | -177 | -173.3 | 0.5 | 110.8 | S213 S214 I215 V219 R220 N221 | S213-R217 WeakPolarHBondContact O-CG 3.27Å; S213-R217 PolarHBondContact O-N 2.84Å; S213-R217 VanDerWaalsContact O-N 3.08Å; S214-R217 WeakPolarHBondContact O-CB 3.47Å; S214-R217 PolarHBondContact O-N 3.47Å; S214-R217 VanDerWaalsContact O-N 3.09Å; I215-R217 VanDerWaalsContact C-N 3.29Å; I215-R217 PolarHBondContact O-N 3.19Å; R217-V219 PolarHBondContact O-N 3.47Å; R217-R220 PolarHBondContact O-N 3.07Å; R217-N221 WeakPolarHBondContact O-CB 3.45Å; R217-N221 PolarHBondContact O-N 3.14Å; R217-N221 PolarHBondContact O-OD1 3.38Å |
| 218 | I | 92.8 | Very high | 83.8 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 8% | 0.077 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 178.2 | -65.7 | 164.1 | 0 | 0 | 0 | 111.3 | A171 V176 I179 S214 I215 R220 N221 K222 | A171-I218 HydrophobicContact CB-CD1 4.09Å; V176-I218 HydrophobicContact CB-CG2 4.46Å; V176-I218 HydrophobicContact CG1-CG2 4.03Å; V176-I218 HydrophobicContact CG2-CD1 4.28Å; V176-I218 HydrophobicContact CG2-CG2 4.3Å; I179-I218 HydrophobicContact CB-CG2 4.4Å; I179-I218 HydrophobicContact CD1-CB 4.47Å; I179-I218 HydrophobicContact CD1-CD1 3.66Å; I179-I218 HydrophobicContact CD1-CG2 4.2Å; I179-I218 HydrophobicContact CG2-CG2 4.05Å; S214-I218 WeakPolarHBondContact O-CG1 3.43Å; S214-I218 PolarHBondContact O-N 3.45Å; I215-I218 WeakPolarHBondContact O-CB 3.25Å; I215-I218 PolarHBondContact O-N 2.99Å; I215-I218 VanDerWaalsContact O-N 3.09Å; I218-R220 PolarHBondContact O-N 2.94Å; I218-N221 PolarHBondContact O-N 3.2Å; I218-K222 HydrophobicContact CG2-CD 4.21Å; I218-K222 PolarHBondContact O-N 3.14Å; I218-K222 VanDerWaalsContact O-N 3.08Å |
| 219 | V | 93 | Very high | 82.2 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | I179 K183 I215 R217 T223 | I179-V219 HydrophobicContact CG2-CG2 3.77Å; K183-V219 HydrophobicContact CG-CG1 4.23Å; K183-V219 HydrophobicContact CG-CG2 3.91Å; I215-V219 HydrophobicContact CG2-CG2 4.33Å; I215-V219 WeakPolarHBondContact O-CG2 3.39Å; I215-V219 PolarHBondContact O-N 3.12Å; R217-V219 PolarHBondContact O-N 3.47Å; V219-T223 PolarHBondContact O-N 3.36Å; V219-T223 PolarHBondContact O-OG1 3.31Å |
| 220 | R | 91 | Very high | 80.2 | Confident | 164 Ų | 164 | 72.4 Ų | 72.4 | 62% | 0.619 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.2 | -42.8 | 177.7 | -72.4 | -177.9 | -69.6 | -167.6 | 1.8 | 112.3 | N216 R217 I218 T223 A224 | N216-R220 WeakPolarHBondContact O-CG 3.3Å; N216-R220 PolarHBondContact O-N 3.47Å; N216-R220 PolarHBondContact O-NE 2.86Å; R217-R220 PolarHBondContact O-N 3.07Å; I218-R220 PolarHBondContact O-N 2.94Å; R220-T223 PolarHBondContact O-N 3.28Å; R220-A224 PolarHBondContact O-N 3.11Å |
| 221 | N | 88.1 | Confident | 78.3 | Confident | 99 Ų | 99 | 81.2 Ų | 81.2 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | -178.7 | -69.1 | -0.4 | 0 | 0 | 0 | 112.1 | R217 I218 T223 A224 D225 | R217-N221 WeakPolarHBondContact O-CB 3.45Å; R217-N221 PolarHBondContact O-N 3.14Å; R217-N221 PolarHBondContact O-OD1 3.38Å; I218-N221 PolarHBondContact O-N 3.2Å; N221-T223 VanDerWaalsContact C-N 3.26Å; N221-T223 PolarHBondContact O-N 2.9Å; N221-A224 WeakPolarHBondContact O-CA 3.43Å; N221-A224 WeakPolarHBondContact O-CB 3.45Å; N221-A224 PolarHBondContact O-N 2.94Å; N221-D225 VanDerWaalsContact O-CG 3.27Å; N221-D225 PolarHBondContact O-N 3.22Å |
| 222 | K | 80.2 | Confident | 76 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 21% | 0.213 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68.1 | -25.4 | -179.4 | -69.9 | -177.3 | 84.8 | 162.7 | 0 | 113.6 | V176 A180 I218 K226 | V176-K222 HydrophobicContact CG1-CD 3.79Å; V176-K222 PolarHBondContact O-NZ 3.24Å; A180-K222 HydrophobicContact CB-CD 3.8Å; I218-K222 HydrophobicContact CG2-CD 4.21Å; I218-K222 PolarHBondContact O-N 3.14Å; I218-K222 VanDerWaalsContact O-N 3.08Å; K222-K226 WeakPolarHBondContact O-CG 3.37Å; K222-K226 PolarHBondContact O-N 3.48Å |
| 223 | T | 72.2 | Confident | 73.5 | Confident | 90 Ų | 90 | 81.7 Ų | 81.7 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -72.5 | -37.1 | 171.7 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | V219 R220 N221 | V219-T223 PolarHBondContact O-N 3.36Å; V219-T223 PolarHBondContact O-OG1 3.31Å; R220-T223 PolarHBondContact O-N 3.28Å; N221-T223 VanDerWaalsContact C-N 3.26Å; N221-T223 PolarHBondContact O-N 2.9Å |
| 224 | A | 67.3 | Low | 71.2 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R220 N221 K226 V227 S228 | R220-A224 PolarHBondContact O-N 3.11Å; N221-A224 WeakPolarHBondContact O-CA 3.43Å; N221-A224 WeakPolarHBondContact O-CB 3.45Å; N221-A224 PolarHBondContact O-N 2.94Å; A224-K226 VanDerWaalsContact C-N 3.27Å; A224-K226 PolarHBondContact O-N 2.8Å; A224-V227 PolarHBondContact O-N 2.85Å; A224-S228 PolarHBondContact O-N 3.43Å; A224-S228 VanDerWaalsContact O-N 3.09Å |
| 225 | D | 64 | Low | 69.1 | Low | 89 Ų | 89 | 89.9 Ų | 89.9 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 179.3 | -65 | -30.9 | 0 | 0 | 0 | 111.4 | N221 V227 S228 T229 | N221-D225 VanDerWaalsContact O-CG 3.27Å; N221-D225 PolarHBondContact O-N 3.22Å; D225-V227 VanDerWaalsContact C-N 3.25Å; D225-V227 PolarHBondContact O-N 3.14Å; D225-S228 WeakPolarHBondContact CA-OG 3.24Å; D225-S228 PolarHBondContact O-N 2.88Å; D225-S228 VanDerWaalsContact O-N 3.11Å; D225-S228 PolarHBondContact O-OG 2.89Å; D225-T229 PolarHBondContact O-N 3.03Å; D225-T229 PolarHBondContact O-OG1 3.5Å |
| 226 | K | 60.1 | Low | 66.6 | Low | 143 Ų | 143 | 98.3 Ų | 98.3 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.7 | -34.3 | 176 | -70.8 | 170.1 | -172.5 | -63.5 | 0 | 112.8 | K222 A224 S230 | K222-K226 WeakPolarHBondContact O-CG 3.37Å; K222-K226 PolarHBondContact O-N 3.48Å; A224-K226 VanDerWaalsContact C-N 3.27Å; A224-K226 PolarHBondContact O-N 2.8Å; K226-S230 PolarHBondContact O-OG 3.19Å |
| 227 | V | 58.4 | Low | 64 | Low | 62 Ų | 62 | 104.1 Ų | 104.1 | 38% | 0.376 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -78.6 | -31.5 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 111 | A224 D225 R231 | A224-V227 PolarHBondContact O-N 2.85Å; D225-V227 VanDerWaalsContact C-N 3.25Å; D225-V227 PolarHBondContact O-N 3.14Å; V227-R231 VanDerWaalsContact CG1-CZ 3.41Å; V227-R231 VanDerWaalsContact CG1-NH2 3.33Å; V227-R231 WeakPolarHBondContact O-CG 3.46Å; V227-R231 PolarHBondContact O-N 3.29Å |
| 228 | S | 55.2 | Low | 61.4 | Low | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -74 | -35.9 | 178.9 | 73.1 | 0 | 0 | 0 | 0 | 113.5 | A224 D225 | A224-S228 PolarHBondContact O-N 3.43Å; A224-S228 VanDerWaalsContact O-N 3.09Å; D225-S228 WeakPolarHBondContact CA-OG 3.24Å; D225-S228 PolarHBondContact O-N 2.88Å; D225-S228 VanDerWaalsContact O-N 3.11Å; D225-S228 PolarHBondContact O-OG 2.89Å |
| 229 | T | 55.5 | Low | 58.8 | Low | 107 Ų | 107 | 113.3 Ų | 113.3 | 66% | 0.656 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.8 | -36 | 177.9 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | D225 | D225-T229 PolarHBondContact O-N 3.03Å; D225-T229 PolarHBondContact O-OG1 3.5Å |
| 230 | S | 50.1 | Low | 56 | Low | 73 Ų | 73 | 120.8 Ų | 120.8 | 51% | 0.51 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71.2 | -38.4 | 179.3 | -42.8 | 0 | 0 | 0 | 0 | 112.9 | K226 G232 A233 | K226-S230 PolarHBondContact O-OG 3.19Å; S230-G232 PolarHBondContact O-N 3.42Å; S230-A233 PolarHBondContact O-N 3.24Å |
| 231 | R | 53.6 | Low | 53.4 | Low | 186 Ų | 186 | 122.2 Ų | 122.2 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.9 | -14.4 | -179.3 | -69.3 | -177.3 | -166.9 | 162.4 | 2.6 | 114.1 | V227 | V227-R231 VanDerWaalsContact CG1-CZ 3.41Å; V227-R231 VanDerWaalsContact CG1-NH2 3.33Å; V227-R231 WeakPolarHBondContact O-CG 3.46Å; V227-R231 PolarHBondContact O-N 3.29Å |
| 232 | G | 44.9 | Very low | 51.1 | Low | 58 Ų | 58 | 123.4 Ų | 123.4 | 60% | 0.598 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -16.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S230 | S230-G232 PolarHBondContact O-N 3.42Š|
| 233 | A | 45 | Very low | 48.8 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -24.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S230 | S230-A233 PolarHBondContact O-N 3.24Š|
| 234 | D | 45.4 | Very low | 47.1 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -1 | -173.5 | -76.4 | -38.9 | 0 | 0 | 0 | 115.4 | ||
| 235 | I | 50.5 | Low | 45.7 | Very low | 145 Ų | 145 | 140 Ų | 140 | 74% | 0.744 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -5.4 | -178.6 | -62.1 | -168.5 | 0 | 0 | 0 | 113.4 | ||
| 236 | Q | 41.5 | Very low | 44.4 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -100.3 | 14.2 | -177.4 | -73.3 | -172.4 | -11.4 | 0 | 0 | 115.9 | ||
| 237 | H | 42.5 | Very low | 43.3 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -125.7 | 17.4 | -179.9 | -111.7 | 76.4 | 0 | 0 | 0 | 116.3 | ||
| 238 | Q | 38.7 | Very low | 42.3 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -126.2 | 30.1 | -176.1 | -147.6 | 164.6 | 63.2 | 0 | 0 | 115.5 | ||
| 239 | Q | 37.8 | Very low | 41.7 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -134.2 | 70.2 | 171 | -76.2 | -178.3 | 6.5 | 0 | 0 | 111.2 | ||||
| 240 | Q | 35.2 | Very low | 40.6 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -165.9 | 88.6 | 162.9 | -109.9 | 166.5 | 45.3 | 0 | 0 | 109.5 | ||||
| 241 | Q | 35.5 | Very low | 40.2 | Very low | 193 Ų | 193 | 153.4 Ų | 153.4 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -162.3 | 102.2 | 153.2 | -113.1 | 171.5 | 33.1 | 0 | 0 | 109.8 | ||||
| 242 | P | 40 | Very low | 39.5 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -77.9 | 143.9 | 168.2 | -7.6 | 25.3 | 0 | 0 | 0 | 111.1 | A244 | P242-A244 PolarHBondContact O-N 3.05Š| ||
| 243 | Q | 32.4 | Very low | 39.3 | Very low | 199 Ų | 199 | 154.7 Ų | 154.7 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -57.5 | 120.5 | -178.8 | -64.3 | 160 | -52.9 | 0 | 0 | 112.8 | ||||
| 244 | A | 36.3 | Very low | 39 | Very low | 96 Ų | 96 | 155.7 Ų | 155.7 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | -160.7 | 88.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P242 | P242-A244 PolarHBondContact O-N 3.05Š| ||
| 245 | R | 38.3 | Very low | 38.7 | Very low | 251 Ų | 251 | 156.8 Ų | 156.8 | 95% | 0.947 | 82% | 0.822 | S | S | * | * | trans | -175.6 | 102.9 | 141.4 | -105.8 | 173 | -179 | -169.4 | -0.2 | 111 | ||||
| 246 | E | 36.9 | Very low | 38.1 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -52.8 | 146.7 | 159 | -130.3 | 157.8 | 104.8 | 0 | 0 | 111.6 | ||||
| 247 | S | 35.4 | Very low | 37.9 | Very low | 108 Ų | 108 | 152 Ų | 152 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | 79.9 | 91.7 | 151.6 | -53 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 248 | A | 38.7 | Very low | 37.8 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | 176.1 | 108.7 | 121.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 249 | Q | 41.5 | Very low | 37.9 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -71.6 | 147.4 | 171.8 | -85.9 | 171.9 | -64.2 | 0 | 0 | 112.2 | ||||
| 250 | P | 33.2 | Very low | 38.1 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -103.7 | 129.5 | 162.4 | 35.1 | -23.8 | 0 | 0 | 0 | 111.3 | ||||
| 251 | T | 40.3 | Very low | 38.3 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -148.8 | 108.6 | 161.7 | 45.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 252 | A | 39.2 | Very low | 38.4 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | 64.2 | 123.6 | 83.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 253 | Q | 41.8 | Very low | 38.3 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 76.8 | 147 | 165.5 | -56.8 | 174.9 | -19.7 | 0 | 0 | 115.8 | ||||
| 254 | T | 38.4 | Very low | 38.8 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 59% | 0.589 | 79% | 0.794 | S | S | * | * | cis | 179.3 | 135.9 | -13.6 | -84.3 | 0 | 0 | 0 | 0 | 102.1 | ||||
| 255 | E | 38.7 | Very low | 39 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 46.1 | 120 | 159.6 | 68.6 | -158.6 | 112.9 | 0 | 0 | 122.8 | ||||
| 256 | N | 38.1 | Very low | 39.2 | Very low | 158 Ų | 158 | 126 Ų | 126 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 62.9 | 106.9 | 138 | -60.9 | -31.3 | 0 | 0 | 0 | 121.3 | ||||
| 257 | G | 37.8 | Very low | 39.8 | Very low | 63 Ų | 63 | 122.5 Ų | 122.5 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | 88 | 112 | 117.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 258 | H | 39.5 | Very low | 40 | Very low | 184 Ų | 184 | 122.2 Ų | 122.2 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | 81.3 | 106.1 | 143.4 | -56.4 | 96.3 | 0 | 0 | 0 | 121 | ||||
| 259 | S | 40.8 | Very low | 40.2 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | 74.2 | 108.9 | 123.9 | -55.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 260 | S | 43.1 | Very low | 40.3 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | 83.1 | 108.7 | 127.1 | -51.8 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 261 | G | 38.6 | Very low | 40.8 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | 120.4 | 107.9 | 121.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 262 | G | 37.2 | Very low | 40.8 | Very low | 89 Ų | 89 | 127 Ų | 127 | 92% | 0.918 | 77% | 0.773 | S | S | * | * | trans | 66.7 | 138.6 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 263 | G | 38.5 | Very low | 40.7 | Very low | 65 Ų | 65 | 130.3 Ų | 130.3 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | cis | 149.4 | 127.1 | 13.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 264 | L | 42.3 | Very low | 40.5 | Very low | 149 Ų | 149 | 133 Ų | 133 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 86.3 | 130 | 139.3 | -64.1 | 155.5 | 0 | 0 | 0 | 122.2 | ||||
| 265 | H | 39.9 | Very low | 40.2 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | 82.3 | 144.1 | 142.7 | -61.6 | 152.2 | 0 | 0 | 0 | 119.6 | ||||
| 266 | S | 44.5 | Very low | 40.1 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | cis | -177 | 162.7 | -19.2 | -150.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 267 | P | 47.6 | Very low | 39.9 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -110.5 | 177 | -158.4 | 40.7 | -32.4 | 0 | 0 | 0 | 115.8 | ||||
| 268 | S | 39.8 | Very low | 39.8 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 130.9 | 125.5 | 141.2 | -58.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 269 | Q | 43.5 | Very low | 39.8 | Very low | 196 Ų | 196 | 127.6 Ų | 127.6 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | 173.9 | 146 | 118.3 | -89.1 | 176.5 | 50 | 0 | 0 | 112.6 | |||||
| 270 | H | 42.8 | Very low | 39.7 | Very low | 182 Ų | 182 | 128.3 Ų | 128.3 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -81.2 | -160.8 | -166.5 | -68.7 | -112.8 | 0 | 0 | 0 | 114.7 | ||||
| 271 | P | 44.6 | Very low | 39.9 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | -122.1 | -179 | -88.9 | 38.2 | -19.7 | 0 | 0 | 0 | 111.6 | |||||
| 272 | L | 40.4 | Very low | 39.9 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | 165.3 | 123.5 | 136.6 | -84.8 | 179.6 | 0 | 0 | 0 | 112.3 | ||||
| 273 | L | 37.8 | Very low | 39.9 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | 60.7 | 119.2 | 140.7 | -64.6 | 165.2 | 0 | 0 | 0 | 122.3 | ||||
| 274 | R | 36.5 | Very low | 39.9 | Very low | 241 Ų | 241 | 134.3 Ų | 134.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 106.8 | 78 | 133.1 | -143.2 | 172.3 | -176.4 | -151.8 | -0.4 | 118.2 | ||||
| 275 | S | 32.8 | Very low | 39.8 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | 2.9 | 115.5 | 144 | -164.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 276 | G | 35.3 | Very low | 39.5 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -153.6 | 145.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 277 | G | 35.8 | Very low | 39.1 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 100.4 | 97.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 278 | N | 35.6 | Very low | 38.4 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 48 | 120.2 | 130.5 | -64 | 4.6 | 0 | 0 | 0 | 123 | ||||
| 279 | S | 38.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | -167.5 | 121.4 | 115.5 | -91.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 280 | T | 38.4 | Very low | 38.2 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 81% | 0.809 | S | S | * | * | 104.7 | 101.8 | 66 | -54.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 281 | V | 48.3 | Very low | 38.4 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | -174.2 | 150.7 | 138.7 | -96.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 282 | P | 38.4 | Very low | 37.8 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -100.3 | 146.4 | -140.4 | 37 | -33.4 | 0 | 0 | 0 | 115.6 | ||||
| 283 | A | 36.6 | Very low | 37.7 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | -119.8 | 123.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 284 | S | 38.5 | Very low | 38 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -92.8 | 116.7 | -177.4 | 173.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 285 | L | 40.7 | Very low | 38 | Very low | 157 Ų | 157 | 121.4 Ų | 121.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 65.3 | 87.8 | 143.7 | -68.6 | 159.2 | 0 | 0 | 0 | 119 | ||||
| 286 | A | 31.8 | Very low | 38.3 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -106.6 | 124.8 | 136.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 287 | S | 37.9 | Very low | 38.3 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -116.4 | 108.6 | 168.9 | -155.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 288 | A | 32 | Very low | 38.2 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -85.4 | 136.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 289 | Y | 43.4 | Very low | 38.1 | Very low | 197 Ų | 197 | 128.9 Ų | 128.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -125.3 | 121.7 | 157.1 | -162.6 | -106.2 | 0 | 0 | 0 | 108.9 | I291 | Y289-I291 HydrophobicContact CD1-CB 4.45Å; Y289-I291 HydrophobicContact CD1-CG1 4.22Å; Y289-I291 HydrophobicContact CE1-CB 3.88Å; Y289-I291 HydrophobicContact CE1-CD1 3.55Å; Y289-I291 HydrophobicContact CE1-CG1 3.39Å; Y289-I291 VanDerWaalsContact CZ-CD1 3.48Å; Y289-I291 WeakPolarHBondContact OH-CD1 3.42Å | ||
| 290 | V | 35 | Very low | 38.1 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -105.2 | 115.6 | 171.3 | 174.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 291 | I | 47.5 | Very low | 37.7 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 62% | 0.621 | 78% | 0.775 | S | S | * | * | trans | -138.3 | 143.2 | 151.5 | -74.8 | -166.1 | 0 | 0 | 0 | 108.6 | Y289 | Y289-I291 HydrophobicContact CD1-CB 4.45Å; Y289-I291 HydrophobicContact CD1-CG1 4.22Å; Y289-I291 HydrophobicContact CE1-CB 3.88Å; Y289-I291 HydrophobicContact CE1-CD1 3.55Å; Y289-I291 HydrophobicContact CE1-CG1 3.39Å; Y289-I291 VanDerWaalsContact CZ-CD1 3.48Å; Y289-I291 WeakPolarHBondContact OH-CD1 3.42Å | ||
| 292 | S | 32.4 | Very low | 37.1 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 54% | 0.538 | 77% | 0.768 | S | S | . | * | trans | -105.5 | 167 | -158.3 | 37.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 293 | H | 37.6 | Very low | 36.9 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 62 | 107.8 | 152 | 62.5 | -89.9 | 0 | 0 | 0 | 121 | ||||
| 294 | T | 45.9 | Very low | 36.9 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | 162.6 | 149.5 | 100.3 | 43.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 295 | P | 36.3 | Very low | 37.2 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -106.9 | 139.8 | -173.1 | 36.8 | -26 | 0 | 0 | 0 | 113.1 | ||||
| 296 | Q | 38.1 | Very low | 37.7 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | trans | -161.3 | 121.4 | 160 | -122.5 | 165.1 | 7 | 0 | 0 | 114.5 | ||||
| 297 | S | 35.5 | Very low | 38.4 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | 65.4 | 97.2 | 129.9 | -179.8 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 298 | T | 34.4 | Very low | 39.2 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | 44 | 141.1 | 128.6 | 49.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 299 | Q | 33.7 | Very low | 40 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | 79.4 | 121.1 | 169.3 | -84.6 | 175.5 | -25.6 | 0 | 0 | 114.1 | ||||
| 300 | E | 37.5 | Very low | 41.3 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | cis | -156.2 | 140.6 | 31.2 | -72.9 | -153.1 | 124.4 | 0 | 0 | 112.8 | ||||
| 301 | M | 29.5 | Very low | 42.8 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | trans | 46.8 | 123.7 | 130.4 | -120 | -175.8 | -58.5 | 0 | 0 | 121.9 | ||||
| 302 | I | 35.7 | Very low | 43.7 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | trans | 83.4 | 101.2 | 150.3 | -36.8 | 172.2 | 0 | 0 | 0 | 117 | ||||
| 303 | Q | 35.8 | Very low | 45.3 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | trans | 148.2 | 101.6 | 136.9 | -82.3 | 168.6 | 8.9 | 0 | 0 | 112 | ||||
| 304 | S | 36.8 | Very low | 46.4 | Very low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 70% | 0.698 | S | S | * | * | trans | 176.8 | 93.4 | 150.8 | 29.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 305 | R | 43.1 | Very low | 47.2 | Very low | 213 Ų | 213 | 128.2 Ų | 128.2 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -115.9 | 75.8 | 160.5 | -82.1 | -167.6 | -178.2 | 172.2 | 2.4 | 109 | Y395 | R305-Y395 PolarHBondContact NH2-OH 3.04Š| ||
| 306 | V | 51.9 | Low | 48.2 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 62% | 0.624 | 69% | 0.686 | S | S | * | * | trans | -130.9 | 88.3 | 160.6 | -173.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 307 | G | 46.8 | Very low | 49.4 | Very low | 40 Ų | 40 | 121.3 Ų | 121.3 | 41% | 0.412 | 67% | 0.667 | S | S | . | * | trans | -66 | 161.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y309 S310 | G307-Y309 PolarHBondContact O-N 3.03Å; G307-S310 PolarHBondContact O-N 3.38Å | ||
| 308 | P | 54.8 | Low | 50.5 | Low | 103 Ų | 103 | 125 Ų | 125 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 23.1 | -171.2 | 28.4 | -34.2 | 0 | 0 | 0 | 115.1 | ||
| 309 | Y | 49.1 | Very low | 51.1 | Low | 209 Ų | 209 | 122.9 Ų | 122.9 | 82% | 0.82 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 3.7 | -177.4 | -33.8 | -71.5 | 0 | 0 | 0 | 112.7 | G307 | G307-Y309 PolarHBondContact O-N 3.03Š|
| 310 | S | 69.7 | Low | 51.8 | Low | 45 Ų | 45 | 122.5 Ų | 122.5 | 32% | 0.315 | 66% | 0.662 | S | S | . | * | trans | -81.5 | 138 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | G307 N312 G313 L314 | G307-S310 PolarHBondContact O-N 3.38Å; S310-N312 PolarHBondContact O-N 2.96Å; S310-N312 VanDerWaalsContact O-N 3.12Å; S310-N312 PolarHBondContact OG-N 3.44Å; S310-G313 WeakPolarHBondContact O-CA 3.44Å; S310-G313 PolarHBondContact O-N 3.38Å; S310-L314 PolarHBondContact O-N 3.49Å | ||
| 311 | I | 66.3 | Low | 51.9 | Low | 124 Ų | 124 | 120.9 Ų | 120.9 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -53.4 | -30.9 | 174 | -106.3 | 162.7 | 0 | 0 | 0 | 111.7 | L314 L315 | I311-L314 PolarHBondContact O-N 2.93Å; I311-L315 HydrophobicContact CG2-CD1 4.47Å; I311-L315 PolarHBondContact O-N 3.35Å |
| 312 | N | 67.5 | Low | 52.3 | Low | 72 Ų | 72 | 121.1 Ų | 121.1 | 39% | 0.385 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -75.1 | -29.4 | 177.3 | -62.9 | 9 | 0 | 0 | 0 | 112 | S310 I317 | S310-N312 PolarHBondContact O-N 2.96Å; S310-N312 VanDerWaalsContact O-N 3.12Å; S310-N312 PolarHBondContact OG-N 3.44Å; N312-I317 PolarHBondContact O-N 3.23Å |
| 313 | G | 65 | Low | 52.3 | Low | 51 Ų | 51 | 120.4 Ų | 120.4 | 53% | 0.526 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -79.4 | -25.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | S310 | S310-G313 WeakPolarHBondContact O-CA 3.44Å; S310-G313 PolarHBondContact O-N 3.38Å |
| 314 | L | 60.2 | Low | 52.3 | Low | 145 Ų | 145 | 115.9 Ų | 115.9 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -81.7 | -20.8 | 177.8 | -145.2 | 81.3 | 0 | 0 | 0 | 113.4 | S310 I311 | S310-L314 PolarHBondContact O-N 3.49Å; I311-L314 PolarHBondContact O-N 2.93Å |
| 315 | L | 63.3 | Low | 52.2 | Low | 118 Ų | 118 | 118.8 Ų | 118.8 | 62% | 0.618 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 3.1 | -178 | -78.6 | 158.2 | 0 | 0 | 0 | 113.8 | I311 I317 | I311-L315 HydrophobicContact CG2-CD1 4.47Å; I311-L315 PolarHBondContact O-N 3.35Å; L315-I317 HydrophobicContact CB-CD1 3.72Å; L315-I317 HydrophobicContact CB-CG1 3.7Å; L315-I317 HydrophobicContact CD1-CD1 4.29Å; L315-I317 WeakPolarHBondContact O-CG1 3.32Å; L315-I317 PolarHBondContact O-N 3.02Å; L315-I317 VanDerWaalsContact O-N 3.16Å |
| 316 | G | 56.7 | Low | 51.8 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.5 | 25.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E318 | G316-E318 PolarHBondContact O-N 3.31Š|
| 317 | I | 64.3 | Low | 51.2 | Low | 99 Ų | 99 | 116.8 Ų | 116.8 | 51% | 0.508 | 67% | 0.667 | S | S | . | * | trans | -91.4 | 98.3 | -176.9 | -49.7 | 175.6 | 0 | 0 | 0 | 107.7 | N312 L315 S319 | N312-I317 PolarHBondContact O-N 3.23Å; L315-I317 HydrophobicContact CB-CD1 3.72Å; L315-I317 HydrophobicContact CB-CG1 3.7Å; L315-I317 HydrophobicContact CD1-CD1 4.29Å; L315-I317 WeakPolarHBondContact O-CG1 3.32Å; L315-I317 PolarHBondContact O-N 3.02Å; L315-I317 VanDerWaalsContact O-N 3.16Å; I317-S319 PolarHBondContact O-N 2.91Å | ||
| 318 | E | 57.7 | Low | 50.6 | Low | 176 Ų | 176 | 118.9 Ų | 118.9 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -62.4 | 102.3 | 168.8 | -165.9 | 170.5 | 163.1 | 0 | 0 | 108.7 | G316 Q320 | G316-E318 PolarHBondContact O-N 3.31Å; E318-Q320 PolarHBondContact O-N 3Å | ||
| 319 | S | 48.6 | Very low | 49.7 | Very low | 78 Ų | 78 | 121.2 Ų | 121.2 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | trans | -70.8 | 102.5 | 173.9 | -72.8 | 0 | 0 | 0 | 0 | 108.5 | I317 V321 | I317-S319 PolarHBondContact O-N 2.91Å; S319-V321 PolarHBondContact O-N 3.47Å; S319-V321 VanDerWaalsContact O-N 3.12Å | ||
| 320 | Q | 46.7 | Very low | 49.2 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | trans | -58.3 | 115.8 | 167.2 | -65.3 | -173.5 | 4.2 | 0 | 0 | 108.8 | E318 I322 | E318-Q320 PolarHBondContact O-N 3Å; Q320-I322 PolarHBondContact O-N 3.01Å | ||
| 321 | V | 39.7 | Very low | 47.6 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | trans | -64 | 101 | 168.3 | 172.5 | 0 | 0 | 0 | 0 | 107.3 | S319 T323 | S319-V321 PolarHBondContact O-N 3.47Å; S319-V321 VanDerWaalsContact O-N 3.12Å; V321-T323 VanDerWaalsContact C-N 3.32Å; V321-T323 HydrophobicContact CG1-CG2 4.12Å; V321-T323 PolarHBondContact O-N 3.2Å; V321-T323 VanDerWaalsContact O-N 3.12Å | ||
| 322 | I | 39.7 | Very low | 46 | Very low | 153 Ų | 153 | 127 Ų | 127 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -78.9 | 90.6 | 164.5 | -58.2 | 175.4 | 0 | 0 | 0 | 106.6 | Q320 A324 | Q320-I322 PolarHBondContact O-N 3.01Å; I322-A324 PolarHBondContact O-N 3.39Å | ||
| 323 | T | 33.7 | Very low | 44.5 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -65.5 | 94.6 | 161.5 | 22.5 | 0 | 0 | 0 | 0 | 108.9 | V321 K325 | V321-T323 VanDerWaalsContact C-N 3.32Å; V321-T323 HydrophobicContact CG1-CG2 4.12Å; V321-T323 PolarHBondContact O-N 3.2Å; V321-T323 VanDerWaalsContact O-N 3.12Å; T323-K325 PolarHBondContact O-N 2.92Å | ||
| 324 | A | 36.3 | Very low | 42.8 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -76.2 | 104.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109 | I322 | I322-A324 PolarHBondContact O-N 3.39Š| ||
| 325 | K | 35.4 | Very low | 41.6 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | -61.1 | 131.7 | 171.1 | -132.1 | 170.1 | -177.8 | 167.2 | 0 | 109.3 | T323 N327 | T323-K325 PolarHBondContact O-N 2.92Å; K325-N327 PolarHBondContact O-N 3.15Å | ||
| 326 | P | 35.4 | Very low | 40.1 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -79.5 | 116.7 | 170.8 | 32.1 | -27.1 | 0 | 0 | 0 | 107.3 | ||||
| 327 | N | 38 | Very low | 39 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -114.9 | 121.2 | 160.6 | -95 | -29 | 0 | 0 | 0 | 108 | K325 | K325-N327 PolarHBondContact O-N 3.15Š| ||
| 328 | A | 34.8 | Very low | 37.4 | Very low | 84 Ų | 84 | 144.5 Ų | 144.5 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | -63.9 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 329 | D | 36.1 | Very low | 35.9 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | 86.7 | 89.4 | 175.4 | -51.9 | -45.1 | 0 | 0 | 0 | 115 | ||||
| 330 | F | 37.4 | Very low | 35.5 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | -161 | 136.1 | 108.4 | -122.4 | -100 | 0 | 0 | 0 | 112.6 | |||||
| 331 | K | 37.4 | Very low | 34.8 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 140.8 | -163.4 | -167.9 | 169.5 | -179.3 | 173.2 | 0 | 114.9 | ||||
| 332 | A | 31.4 | Very low | 34.7 | Very low | 90 Ų | 90 | 146 Ų | 146 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | -59.2 | 147.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 333 | Q | 36.8 | Very low | 34.6 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -153.4 | 121 | 141.5 | -107.4 | 175.5 | 21 | 0 | 0 | 110.6 | ||||
| 334 | S | 29.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -81.4 | 142.5 | 178.2 | 53 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 335 | S | 33.9 | Very low | 35.1 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -174 | 103.7 | 144.4 | 44.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 336 | V | 33 | Very low | 35.3 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | 44.8 | 107.9 | 90.4 | -172.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 337 | F | 32.2 | Very low | 35.5 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 171.3 | 101.1 | 134.6 | -111.9 | -99.3 | 0 | 0 | 0 | 108.7 | ||||
| 338 | R | 32.5 | Very low | 35.3 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 79% | 0.789 | 80% | 0.795 | S | S | * | * | 79 | 113.2 | 93.2 | -149.3 | -174.5 | -138.1 | 139.3 | -0.7 | 114.2 | |||||
| 339 | C | 25.5 | Very low | 35.2 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -78.4 | 158.4 | 168.7 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 340 | P | 39.1 | Very low | 35.3 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -123.2 | 137 | 147.8 | 31.3 | -16.6 | 0 | 0 | 0 | 112.6 | ||||
| 341 | T | 32.2 | Very low | 35.4 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -79 | 145.6 | 167.1 | 51.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 342 | M | 38.1 | Very low | 35.6 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 97% | 0.97 | 77% | 0.771 | S | S | * | * | trans | -153.3 | 136.2 | 143 | -81.2 | -142.4 | -175.3 | 0 | 0 | 110.6 | ||||
| 343 | A | 37.8 | Very low | 35.6 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -83.5 | 150 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 344 | D | 36.9 | Very low | 35.5 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 166.7 | 123.3 | 114.2 | -89.3 | -32.5 | 0 | 0 | 0 | 112.6 | |||||
| 345 | S | 43.6 | Very low | 35.5 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | trans | 37.5 | 113 | 131.2 | -46.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 346 | N | 40.1 | Very low | 35.9 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | 147 | 137.6 | 112.1 | -75.7 | -46.8 | 0 | 0 | 0 | 114.2 | |||||
| 347 | A | 39.2 | Very low | 36 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | 67.1 | 104.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 348 | S | 33.2 | Very low | 36.1 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | 69.8 | 147.4 | 115.9 | -147.4 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 349 | F | 33.7 | Very low | 36.2 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 97.2 | 92.1 | 157.3 | -134.1 | -104.4 | 0 | 0 | 0 | 117.7 | ||||
| 350 | M | 37.1 | Very low | 36.9 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | 57.9 | 130.3 | 122 | -73.8 | -167.4 | 74.3 | 0 | 0 | 120.7 | |||||
| 351 | L | 40.6 | Very low | 36.6 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | 99.4 | 128.5 | 141.2 | -73.1 | 162.7 | 0 | 0 | 0 | 119.3 | ||||
| 352 | T | 40.2 | Very low | 37.1 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | trans | 82.8 | 99.5 | 140.3 | 42 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 353 | Q | 33.1 | Very low | 37 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | 50.2 | 114.7 | 123.6 | -62 | -70.4 | -21.7 | 0 | 0 | 118 | |||||
| 354 | G | 34.9 | Very low | 37.2 | Very low | 74 Ų | 74 | 141.8 Ų | 141.8 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | 178.8 | 83.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V356 | G354-V356 PolarHBondContact O-N 3.22Š| ||
| 355 | W | 29.4 | Very low | 37.1 | Very low | 242 Ų | 242 | 145.1 Ų | 145.1 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | trans | -60.1 | 124.8 | 168.2 | -83.9 | 38.3 | 0 | 0 | 0 | 111.1 | ||||
| 356 | V | 41.9 | Very low | 36.9 | Very low | 141 Ų | 141 | 145 Ų | 145 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -146 | 126.1 | 145.5 | -167 | 0 | 0 | 0 | 0 | 110.3 | G354 | G354-V356 PolarHBondContact O-N 3.22Š| ||
| 357 | N | 35.3 | Very low | 36.7 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -43.9 | 130.7 | 174 | -66.5 | -56.3 | 0 | 0 | 0 | 114.1 | ||||
| 358 | R | 34.1 | Very low | 36.6 | Very low | 230 Ų | 230 | 147 Ų | 147 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -130.4 | 101.2 | 149.6 | -172 | 174.8 | -74.9 | -130.5 | 0.8 | 109 | K360 | R358-K360 PolarHBondContact O-N 2.99Š| ||
| 359 | V | 35.4 | Very low | 36.7 | Very low | 121 Ų | 121 | 146 Ų | 146 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 115.4 | 168.7 | -173.1 | 0 | 0 | 0 | 0 | 107.5 | L361 | V359-L361 HydrophobicContact CG1-CD1 4.27Š| ||
| 360 | K | 39.1 | Very low | 37.1 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -125.4 | 93.9 | 165 | -171.8 | 122.9 | 177.7 | 168.2 | 0 | 108 | R358 E362 | R358-K360 PolarHBondContact O-N 2.99Å; K360-E362 WeakPolarHBondContact CE-OE1 3.46Å; K360-E362 WeakPolarHBondContact CE-OE2 2.95Å; K360-E362 HydrophobicContact CG-CG 4.39Å; K360-E362 IonicContact NZ-OE1 2.92Å; K360-E362 PolarHBondContact NZ-OE1 3.39Å; K360-E362 IonicContact NZ-OE2 3.77Å; K360-E362 PolarHBondContact O-N 3.46Å | ||
| 361 | L | 32.7 | Very low | 37.1 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -63.1 | 107.8 | 156.8 | -109.4 | 89.2 | 0 | 0 | 0 | 106.7 | V359 | V359-L361 HydrophobicContact CG1-CD1 4.27Š| ||
| 362 | E | 42.2 | Very low | 37 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -132.5 | 128.7 | 156.9 | -92.6 | 175.8 | -179 | 0 | 0 | 109.4 | K360 | K360-E362 WeakPolarHBondContact CE-OE1 3.46Å; K360-E362 WeakPolarHBondContact CE-OE2 2.95Å; K360-E362 HydrophobicContact CG-CG 4.39Å; K360-E362 IonicContact NZ-OE1 2.92Å; K360-E362 PolarHBondContact NZ-OE1 3.39Å; K360-E362 IonicContact NZ-OE2 3.77Å; K360-E362 PolarHBondContact O-N 3.46Å | ||
| 363 | N | 37.7 | Very low | 36.9 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -75.5 | 119.7 | -172.4 | -173.8 | 8.2 | 0 | 0 | 0 | 109.9 | Y365 | N363-Y365 VanDerWaalsContact C-N 3.33Å; N363-Y365 PolarHBondContact O-N 3.33Å | ||
| 364 | P | 40.9 | Very low | 37.1 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -93.1 | 63.7 | -178.3 | 37.2 | -32.4 | 0 | 0 | 0 | 110.4 | ||
| 365 | Y | 34.5 | Very low | 37.1 | Very low | 218 Ų | 218 | 142.9 Ų | 142.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -154.2 | 58.8 | 168.2 | -89.6 | -77.3 | 0 | 0 | 0 | 110.1 | N363 | N363-Y365 VanDerWaalsContact C-N 3.33Å; N363-Y365 PolarHBondContact O-N 3.33Å |
| 366 | A | 39.2 | Very low | 37.3 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | -163.6 | 139.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 367 | T | 36.5 | Very low | 37.2 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | 93.8 | 72.8 | 166.6 | -31.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 368 | V | 38.2 | Very low | 37.5 | Very low | 155 Ų | 155 | 136 Ų | 136 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | -128 | 77.7 | 144.4 | -75.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 369 | A | 35.2 | Very low | 37.5 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -163.5 | 80.3 | 158 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 370 | A | 41 | Very low | 37.5 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -85.2 | 112.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 371 | D | 37 | Very low | 37.6 | Very low | 164 Ų | 164 | 126 Ų | 126 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -70.3 | 117 | 153 | -109.6 | -30.2 | 0 | 0 | 0 | 107.7 | ||||
| 372 | I | 39 | Very low | 37.9 | Very low | 160 Ų | 160 | 123.6 Ų | 123.6 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | trans | -140.6 | 105.1 | 149.9 | -63.5 | -173.5 | 0 | 0 | 0 | 106.8 | ||||
| 373 | G | 37.6 | Very low | 37.8 | Very low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | trans | -69.9 | 163.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 374 | A | 38.4 | Very low | 37.8 | Very low | 91 Ų | 91 | 120.9 Ų | 120.9 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | 105.7 | 122.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 375 | L | 32.9 | Very low | 37.6 | Very low | 159 Ų | 159 | 124.5 Ų | 124.5 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | 80.4 | 92.1 | 154.4 | -61.6 | 160.2 | 0 | 0 | 0 | 116.5 | ||||
| 376 | L | 35.6 | Very low | 38 | Very low | 168 Ų | 168 | 119.3 Ų | 119.3 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | 176.5 | 125.4 | 96.8 | -89.3 | 148.6 | 0 | 0 | 0 | 111 | |||||
| 377 | S | 38.8 | Very low | 38.1 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -42.7 | 126.5 | 167.8 | -169.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 378 | A | 41.5 | Very low | 38.3 | Very low | 93 Ų | 93 | 119.7 Ų | 119.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 164.2 | 108.4 | 127 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 379 | G | 34.5 | Very low | 38.1 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 92% | 0.918 | 80% | 0.797 | S | S | * | * | trans | 56.7 | 124.8 | 133.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 380 | G | 35.3 | Very low | 38.1 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 140.7 | 90.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 381 | S | 40.2 | Very low | 37.9 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -70.7 | 160.7 | -177.3 | -44.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 382 | S | 40.6 | Very low | 37.6 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | 119.3 | 91.8 | 153.7 | -47.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 383 | A | 40.1 | Very low | 37.6 | Very low | 92 Ų | 92 | 117.6 Ų | 117.6 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | 64.7 | 132.9 | 82.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 384 | L | 36.5 | Very low | 37.5 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 70% | 0.696 | 81% | 0.806 | S | S | * | * | cis | -151.3 | 147 | 16.4 | -73.8 | 84.7 | 0 | 0 | 0 | 106.1 | ||||
| 385 | F | 37.6 | Very low | 37.1 | Very low | 186 Ų | 186 | 125.3 Ų | 125.3 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | -178.5 | 153.6 | 73.1 | -93.1 | -83.6 | 0 | 0 | 0 | 109.3 | |||||
| 386 | P | 41.9 | Very low | 37.2 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | trans | -100.7 | 160.9 | -164.1 | 38.5 | -32.6 | 0 | 0 | 0 | 115.3 | ||||
| 387 | P | 41 | Very low | 37.3 | Very low | 132 Ų | 132 | 121 Ų | 121 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -91.7 | 130.4 | 165.5 | 34.5 | -26.3 | 0 | 0 | 0 | 110.5 | ||||
| 388 | A | 40.7 | Very low | 37.4 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -117.8 | 129 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 389 | C | 33.6 | Very low | 37.1 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | 58.4 | 98.6 | 149.8 | 68.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 390 | M | 35.3 | Very low | 37.1 | Very low | 194 Ų | 194 | 130.3 Ų | 130.3 | 96% | 0.956 | 79% | 0.794 | S | S | * | * | trans | -70.8 | 131.7 | 130.6 | -66 | -153.6 | 130.6 | 0 | 0 | 109.3 | ||||
| 391 | T | 38.2 | Very low | 37.1 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -147.6 | 110.8 | 157.2 | -43.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 392 | A | 31.3 | Very low | 36.7 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -77.9 | 130.8 | 161 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 393 | A | 37.3 | Very low | 36.6 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -125.4 | 127.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 394 | T | 35.5 | Very low | 36.1 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -92.7 | 162.2 | 176.6 | 51 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 395 | Y | 31 | Very low | 36.1 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | trans | 84.3 | 132.3 | 156 | -93.6 | -91.5 | 0 | 0 | 0 | 119.9 | R305 | R305-Y395 PolarHBondContact NH2-OH 3.04Š| ||
| 396 | G | 35.3 | Very low | 36.1 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 142.8 | 86.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 397 | D | 36.3 | Very low | 35.9 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -65.4 | 137.2 | 159.3 | -72 | -56.9 | 0 | 0 | 0 | 110.5 | ||||
| 398 | H | 42.3 | Very low | 36 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 89% | 0.889 | 81% | 0.805 | S | S | * | * | trans | -148.1 | 117.9 | 153.1 | -131.7 | -80.9 | 0 | 0 | 0 | 110.7 | ||||
| 399 | F | 35.6 | Very low | 35.9 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | trans | -83.8 | 147.3 | 172 | -142.4 | -97.3 | 0 | 0 | 0 | 109.1 | ||||
| 400 | N | 32.8 | Very low | 36 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 81% | 0.81 | S | S | * | * | trans | 49.7 | 120.8 | 162.1 | -90.1 | -35.2 | 0 | 0 | 0 | 120 | ||||
| 401 | L | 35.4 | Very low | 36.1 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | -166.4 | 127.1 | 119.9 | -126.8 | 80.1 | 0 | 0 | 0 | 110.8 | |||||
| 402 | M | 31.8 | Very low | 36.1 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -65.6 | 138.1 | 157.8 | -72.6 | 179.4 | 174.4 | 0 | 0 | 109.7 | ||||
| 403 | A | 38.3 | Very low | 36.3 | Very low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -173.2 | 138.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 404 | N | 30.5 | Very low | 36.3 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -60.7 | 152.8 | 177.4 | -75.9 | -34.6 | 0 | 0 | 0 | 115.5 | ||||
| 405 | A | 36.9 | Very low | 36.4 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -173.3 | 98.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 406 | S | 36.6 | Very low | 36.7 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | 72 | 110.9 | 86.4 | 67.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 407 | S | 38.9 | Very low | 36.8 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | -170.2 | 128 | 124.8 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 408 | S | 41.6 | Very low | 36.8 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 56 | 132.4 | 143.4 | 55.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 409 | E | 38.9 | Very low | 36.6 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | cis | -164.8 | 131.7 | 10.4 | -105.1 | 173.3 | 110.6 | 0 | 0 | 107.1 | ||||
| 410 | A | 37.2 | Very low | 36.6 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 63.8 | 134.7 | 106.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 411 | K | 37.4 | Very low | 36.8 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | cis | -172.3 | 119 | 17.2 | -165.7 | 158.4 | 177.9 | -176.5 | 0 | 105.2 | ||||
| 412 | V | 36.6 | Very low | 36.7 | Very low | 111 Ų | 111 | 126 Ų | 126 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | 83 | 123.6 | 92.9 | 166.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 413 | L | 36.3 | Very low | 36.6 | Very low | 160 Ų | 160 | 123 Ų | 123 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 63.9 | 152.8 | 149.7 | -66.3 | 163.9 | 0 | 0 | 0 | 118.3 | ||||
| 414 | S | 36.3 | Very low | 36.4 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | cis | -177.8 | 145.7 | -14.9 | -163 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 415 | S | 38.1 | Very low | 36.7 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | 52.4 | 137.3 | 145.4 | -37.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 416 | N | 37.8 | Very low | 36.7 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | 90.1 | 133.3 | 146.5 | -62.9 | -12.8 | 0 | 0 | 0 | 120.1 | ||||
| 417 | G | 37.5 | Very low | 37 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | 116.2 | 84.5 | 132.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 418 | N | 35.5 | Very low | 36.9 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 11.7 | 143.8 | 131.9 | -151.3 | 30 | 0 | 0 | 0 | 121.5 | ||||
| 419 | M | 37.7 | Very low | 36.8 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | 100.2 | 135.5 | 151.2 | -54.2 | -143 | -146.6 | 0 | 0 | 121.1 | ||||
| 420 | G | 37.1 | Very low | 36.7 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 99.3 | 94.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 421 | T | 37.3 | Very low | 36.6 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | 69.4 | 107.9 | 84.5 | -40.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 422 | A | 31.4 | Very low | 36.8 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | 37.1 | 137.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 423 | C | 31.5 | Very low | 36.6 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | 161.5 | 112.6 | 133 | -81 | 0 | 0 | 0 | 0 | 108 | ||||
| 424 | R | 32.7 | Very low | 36.7 | Very low | 237 Ų | 237 | 127 Ų | 127 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | 58.2 | 146.1 | 71.7 | -84.1 | -165.9 | 174.6 | -155.7 | -0.4 | 116.3 | |||||
| 425 | T | 38.2 | Very low | 37 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | 101.8 | 134.9 | 172.1 | 69 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 426 | S | 37.2 | Very low | 37 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | cis | -178.1 | 146.9 | 10.9 | 38.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 427 | T | 40.8 | Very low | 37 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 60.3 | 147.6 | 132.1 | 61.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 428 | D | 37.2 | Very low | 37.3 | Very low | 125 Ų | 125 | 129 Ų | 129 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | cis | -176.5 | 162.2 | 12.9 | -123.5 | -32.6 | 0 | 0 | 0 | 113 | ||||
| 429 | E | 39.2 | Very low | 38.1 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | trans | 62.8 | 156.2 | 147.7 | -55.2 | -75.3 | 99.8 | 0 | 0 | 122.8 | ||||
| 430 | H | 36.7 | Very low | 38.3 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | -177.4 | 126.4 | -36.2 | -158 | 37.3 | 0 | 0 | 0 | 107.9 | ||||
| 431 | L | 35.8 | Very low | 38.4 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | 47.8 | 171.8 | 153.2 | -74.5 | 165 | 0 | 0 | 0 | 121.3 | ||||
| 432 | P | 41.2 | Very low | 38.4 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | cis | -136.5 | -167.1 | 12 | 40.3 | -17.8 | 0 | 0 | 0 | 116.2 | ||||
| 433 | S | 34 | Very low | 38.7 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | trans | -115.6 | 174.8 | -164.8 | 42.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 434 | T | 38.4 | Very low | 39 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 87.5 | 138.4 | 163.3 | 80.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 435 | T | 41.5 | Very low | 39.3 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | -165.2 | 149.9 | 36.4 | 36.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 436 | N | 37.5 | Very low | 39.4 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 35.3 | 131.3 | 135.3 | -55.5 | -31.4 | 0 | 0 | 0 | 123.8 | ||||
| 437 | A | 39.4 | Very low | 40 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | 165.6 | 139.1 | 97.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 438 | A | 42.7 | Very low | 40 | Very low | 94 Ų | 94 | 123 Ų | 123 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | -90.2 | -155.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 439 | P | 52.2 | Low | 40.1 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | cis | -150.6 | 176.4 | 4.8 | 38.7 | -14.3 | 0 | 0 | 0 | 119.6 | ||||
| 440 | S | 42.8 | Very low | 40.1 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 56.3 | 143.2 | 137.8 | 57.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 441 | G | 39.6 | Very low | 40.2 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | cis | 172.7 | 169.5 | 8.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 442 | F | 36.3 | Very low | 40.5 | Very low | 195 Ų | 195 | 125.2 Ų | 125.2 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | 72.7 | 142.3 | 138.8 | -140.5 | -102.4 | 0 | 0 | 0 | 120.3 | ||||
| 443 | L | 38.4 | Very low | 40.2 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | cis | -176.1 | 156.8 | -12.6 | -163.9 | -164.2 | 0 | 0 | 0 | 109.5 | ||||
| 444 | T | 36.9 | Very low | 40.4 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | 81.5 | 121.3 | 145.8 | 7.2 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 445 | S | 38.4 | Very low | 40.4 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | 58.2 | 119.6 | 128.5 | 58.7 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 446 | Q | 41.1 | Very low | 40.3 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | 40.7 | 166.5 | 126.4 | -77.1 | -165.1 | 30.9 | 0 | 0 | 122.7 | |||||
| 447 | P | 49.7 | Very low | 40.7 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -139.1 | -170.3 | -23.2 | 34.5 | -11.9 | 0 | 0 | 0 | 115.2 | ||||
| 448 | A | 41.6 | Very low | 40.5 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | 89.3 | 118.5 | 143.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 449 | E | 38.7 | Very low | 40.5 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | 70.6 | 142.2 | 133.9 | -66.1 | -155.3 | 125.5 | 0 | 0 | 125.8 | ||||
| 450 | L | 38.5 | Very low | 39.6 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 83.3 | 122.6 | 152.7 | -108.7 | 75.8 | 0 | 0 | 0 | 120.3 | ||||
| 451 | M | 38.7 | Very low | 39.7 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | 111 | 90.9 | 115.6 | -28.7 | 167.9 | 108.1 | 0 | 0 | 120.9 | |||||
| 452 | T | 43 | Very low | 39.3 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | 78.4 | 143 | 145.7 | 65.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 453 | N | 33.9 | Very low | 39.7 | Very low | 172 Ų | 172 | 140 Ų | 140 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | trans | -73.5 | 148.2 | -175.1 | -67 | -60.6 | 0 | 0 | 0 | 114.8 | ||||
| 454 | G | 38.4 | Very low | 39.5 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -175.4 | 105.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 455 | S | 39.2 | Very low | 40 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | 40.2 | 122 | 139.6 | -46.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 456 | K | 39.6 | Very low | 39.9 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | 2.5 | 161.7 | 143.5 | -111.6 | -176.5 | 173.9 | -178.2 | 0 | 119.4 | ||||
| 457 | P | 45.6 | Very low | 39.6 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 62% | 0.623 | 79% | 0.787 | S | S | * | * | cis | -146.4 | 178 | 9.3 | 35.6 | -10.9 | 0 | 0 | 0 | 118 | ||||
| 458 | E | 35 | Very low | 39.1 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | 34.3 | 121.9 | 148.3 | -71.1 | 175.6 | 92.1 | 0 | 0 | 122.8 | ||||
| 459 | K | 42.8 | Very low | 38.8 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | -168.4 | 138.4 | 121.6 | -138.7 | 166.4 | -178.2 | 172.2 | 0 | 113.7 | |||||
| 460 | S | 34.5 | Very low | 38.9 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -57 | 155.6 | 175.5 | -43.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 461 | I | 43.5 | Very low | 38.8 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -171.2 | 123.9 | 132.5 | -87.4 | 143.6 | 0 | 0 | 0 | 107.9 | ||||
| 462 | G | 32.2 | Very low | 38.7 | Very low | 72 Ų | 72 | 148.7 Ų | 148.7 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -97.4 | 148.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 463 | R | 43.8 | Very low | 38.4 | Very low | 230 Ų | 230 | 148.2 Ų | 148.2 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -145.5 | 124.3 | 158.3 | -84.3 | -173 | -162.9 | 161.2 | 6.9 | 110.7 | ||||
| 464 | N | 34.2 | Very low | 38.4 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -95.6 | 132.7 | 161.6 | 176.8 | -16.9 | 0 | 0 | 0 | 106.7 | ||||
| 465 | V | 46.9 | Very low | 38.7 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -143 | 136.3 | 162.7 | -143.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 466 | N | 36.3 | Very low | 38.7 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -96.1 | 155.6 | -166.6 | -159.1 | 6.9 | 0 | 0 | 0 | 111.6 | ||||
| 467 | A | 35.3 | Very low | 38.5 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | trans | 50.4 | 122.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 468 | Q | 39.3 | Very low | 38.2 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | -175 | 134.8 | 114.8 | -101.4 | 170.6 | -1.3 | 0 | 0 | 113.1 | |||||
| 469 | T | 35.6 | Very low | 38.4 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -78.2 | 138.2 | 178.5 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 470 | V | 40.7 | Very low | 37.8 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -154.9 | 129.8 | 142.6 | -118.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 471 | N | 35.8 | Very low | 38 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -77.2 | 150.9 | 174.8 | -105.1 | -25.5 | 0 | 0 | 0 | 112.8 | ||||
| 472 | R | 38.1 | Very low | 37.8 | Very low | 237 Ų | 237 | 136.3 Ų | 136.3 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | 153.5 | 152.1 | 139.6 | -89 | -172.7 | 177.7 | 159.8 | 0.5 | 109.3 | ||||
| 473 | V | 36.3 | Very low | 38 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 82% | 0.823 | S | S | * | * | cis | -169.7 | 142.3 | -13 | 138.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 474 | A | 33.7 | Very low | 38.1 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | 22.3 | 130.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 475 | V | 43.8 | Very low | 38 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | trans | -154.8 | 160 | 135.9 | -134.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 476 | P | 40.5 | Very low | 38.3 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | -118.8 | -178.4 | -123.1 | 23.6 | 3.1 | 0 | 0 | 0 | 114.1 | |||||
| 477 | A | 34.7 | Very low | 38.7 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -57.1 | 139.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 478 | G | 38.9 | Very low | 39.8 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -147.4 | 137.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 479 | A | 39.7 | Very low | 40.2 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -77.2 | 160.7 | -159 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 480 | F | 31.5 | Very low | 40.3 | Very low | 214 Ų | 214 | 132.8 Ų | 132.8 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -20.3 | 131.1 | 161.1 | -76.4 | -100.7 | 0 | 0 | 0 | 117.7 | ||||
| 481 | A | 38.4 | Very low | 40.2 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -154.5 | 134.8 | 143.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 482 | S | 38.8 | Very low | 40.5 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 141 | -174.2 | -53.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 483 | Y | 36.4 | Very low | 40.7 | Very low | 220 Ų | 220 | 126.8 Ų | 126.8 | 86% | 0.863 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88 | 134.8 | 164.9 | -72.8 | -83.9 | 0 | 0 | 0 | 110.6 | ||
| 484 | P | 45.9 | Very low | 40.8 | Very low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 136.4 | 175.7 | 34 | -29.7 | 0 | 0 | 0 | 111.4 | ||
| 485 | C | 32.6 | Very low | 41.1 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -87.4 | 112.4 | 171.8 | -36.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 486 | V | 52.1 | Low | 40.8 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 78% | 0.782 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 130.5 | 174 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 487 | P | 45.5 | Very low | 40.8 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 147.1 | 174.9 | 32.1 | -32 | 0 | 0 | 0 | 111.7 | ||
| 488 | P | 58.3 | Low | 41 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 134.2 | 179.6 | 29.2 | -31.9 | 0 | 0 | 0 | 111.8 | ||
| 489 | A | 46.6 | Very low | 41.1 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 146.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 490 | T | 37.1 | Very low | 41 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128.2 | 166.9 | 37.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 491 | M | 40.2 | Very low | 41.4 | Very low | 185 Ų | 185 | 126.7 Ų | 126.7 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -106.2 | 115.4 | 160.4 | -77.3 | -125.9 | 75.6 | 0 | 0 | 109.7 | ||||
| 492 | T | 40.9 | Very low | 41.4 | Very low | 128 Ų | 128 | 127 Ų | 127 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -85.3 | 127 | 168.4 | -45.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 493 | A | 42.5 | Very low | 41.3 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -146.9 | 109.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 494 | A | 39.9 | Very low | 41.4 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 150.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 495 | G | 38.1 | Very low | 41.1 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 154.9 | 94.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 496 | L | 38.6 | Very low | 41.2 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 67.3 | 109.5 | 139.8 | -67.3 | 165 | 0 | 0 | 0 | 118.8 | ||||
| 497 | V | 41.1 | Very low | 40.4 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | 73.6 | 118.7 | 96 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 498 | S | 38.1 | Very low | 40.1 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | cis | -178.8 | 156.9 | 48.8 | 22.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 499 | A | 40.4 | Very low | 38.9 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 71.8 | 139.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 500 | F | 38.8 | Very low | 38.5 | Very low | 205 Ų | 205 | 135.2 Ų | 135.2 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | cis | -165.6 | 155.7 | -23.1 | -106.6 | -76.8 | 0 | 0 | 0 | 104.2 | ||||
| 501 | P | 40.1 | Very low | 38.6 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -108.2 | 159.6 | -161.8 | 38.7 | -29.1 | 0 | 0 | 0 | 114.5 | ||||
| 502 | S | 38 | Very low | 38.5 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -166.4 | 120.2 | 147 | -139.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 503 | E | 37.2 | Very low | 38.4 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 67 | 146 | 138.8 | -63.8 | -177.9 | 153.9 | 0 | 0 | 124.8 | ||||
| 504 | Y | 36.7 | Very low | 38.3 | Very low | 209 Ų | 209 | 134.7 Ų | 134.7 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | 90.9 | 85.1 | 160.4 | -82 | -82.9 | 0 | 0 | 0 | 121.4 | ||||
| 505 | Y | 39.5 | Very low | 38.1 | Very low | 207 Ų | 207 | 135.4 Ų | 135.4 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | 22.8 | 134.7 | 122 | -109.9 | -81.5 | 0 | 0 | 0 | 121.8 | |||||
| 506 | N | 35.6 | Very low | 38 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 74.1 | 101.5 | 156 | -75.6 | -32.9 | 0 | 0 | 0 | 120 | ||||
| 507 | G | 34.4 | Very low | 37.8 | Very low | 75 Ų | 75 | 142 Ų | 142 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -150.1 | 104.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G509 | G507-G509 PolarHBondContact O-N 3.3Å; G507-G509 VanDerWaalsContact O-N 3.15Å | ||
| 508 | Y | 39.3 | Very low | 38.3 | Very low | 232 Ų | 232 | 142 Ų | 142 | 91% | 0.91 | 79% | 0.789 | S | S | * | * | trans | -60.5 | 113 | 169.1 | -87.5 | -92.9 | 0 | 0 | 0 | 109.6 | S510 | Y508-S510 PolarHBondContact O-N 3.49Š| ||
| 509 | G | 34.5 | Very low | 38.6 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -77.6 | 111 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G507 L511 | G507-G509 PolarHBondContact O-N 3.3Å; G507-G509 VanDerWaalsContact O-N 3.15Å; G509-L511 PolarHBondContact O-N 3.45Å | ||
| 510 | S | 38.3 | Very low | 38.5 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -68.3 | 111.7 | 157.5 | 162.1 | 0 | 0 | 0 | 0 | 108.7 | Y508 | Y508-S510 PolarHBondContact O-N 3.49Š| ||
| 511 | L | 37.4 | Very low | 38.7 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -96.2 | 140.1 | 167.1 | -107.9 | 126.1 | 0 | 0 | 0 | 112 | G509 | G509-L511 PolarHBondContact O-N 3.45Š| ||
| 512 | S | 38.9 | Very low | 38.7 | Very low | 85 Ų | 85 | 143.7 Ų | 143.7 | 59% | 0.594 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 147.3 | -170.6 | 54.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 513 | N | 38.2 | Very low | 38.6 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 65% | 0.647 | 81% | 0.808 | S | S | * | * | trans | 35.9 | 110.8 | 135 | -55.6 | -30.3 | 0 | 0 | 0 | 117.6 | ||||
| 514 | N | 41.3 | Very low | 38.6 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -144.2 | 114.7 | 131.8 | -87 | -35.9 | 0 | 0 | 0 | 109.3 | ||||
| 515 | C | 34.7 | Very low | 38.5 | Very low | 121 Ų | 121 | 135 Ų | 135 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -74.1 | 127.3 | 169.8 | -70.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 516 | W | 36.4 | Very low | 38.3 | Very low | 259 Ų | 259 | 130.4 Ų | 130.4 | 98% | 0.981 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 107 | 155.5 | -92.5 | -29.1 | 0 | 0 | 0 | 109.7 | ||||
| 517 | S | 35.1 | Very low | 38.5 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -83.2 | 140.2 | 153 | -83.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 518 | P | 50.4 | Low | 38.6 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -88.4 | 114 | 169.5 | 32 | -25.5 | 0 | 0 | 0 | 109.7 | ||||
| 519 | T | 45.1 | Very low | 38.6 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 118.3 | 165 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 520 | M | 38.9 | Very low | 38.7 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 133.8 | 165.8 | -74.3 | -173 | 176.5 | 0 | 0 | 109.7 | ||
| 521 | A | 42.3 | Very low | 38.8 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 145.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 522 | P | 41.4 | Very low | 38.8 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 164.5 | -176.1 | 34.8 | -33.4 | 0 | 0 | 0 | 112.3 | ||
| 523 | G | 35.6 | Very low | 38.8 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 159.4 | -164.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 524 | C | 35.8 | Very low | 38.9 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 96% | 0.959 | 83% | 0.826 | S | S | * | * | trans | -117.1 | 116.4 | 159.2 | -85.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 525 | G | 36.1 | Very low | 38.8 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | -96.7 | 151.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 526 | S | 35.1 | Very low | 39.3 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | 66.2 | 105.6 | 161.2 | -63.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 527 | L | 38.5 | Very low | 39.5 | Very low | 184 Ų | 184 | 130.8 Ų | 130.8 | 96% | 0.963 | 82% | 0.816 | S | S | * | * | -140.6 | 125.4 | 127.9 | -83.1 | -176.9 | 0 | 0 | 0 | 110.4 | |||||
| 528 | I | 36.9 | Very low | 40 | Very low | 148 Ų | 148 | 130 Ų | 130 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | -78.8 | 137.4 | 176.3 | -65.7 | 162 | 0 | 0 | 0 | 108.3 | ||||
| 529 | A | 40.4 | Very low | 40.1 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | trans | -146.2 | 113 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 530 | N | 35.2 | Very low | 39.9 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 84% | 0.84 | S | S | * | * | trans | -62.6 | 139.3 | 171.8 | -73.3 | -41.9 | 0 | 0 | 0 | 111 | ||||
| 531 | S | 40.6 | Very low | 39.9 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -148.4 | 110.5 | 140.1 | -164.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 532 | S | 37.5 | Very low | 39.8 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 84% | 0.84 | S | S | * | * | trans | -53.8 | 157.2 | 163.8 | -47.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 533 | Y | 39.2 | Very low | 39.7 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 79% | 0.792 | 84% | 0.841 | S | S | * | * | 168.3 | 116.3 | 127.4 | -98.8 | -91.2 | 0 | 0 | 0 | 110.1 | |||||
| 534 | Y | 40 | Very low | 40 | Very low | 203 Ų | 203 | 139.3 Ų | 139.3 | 80% | 0.796 | 84% | 0.842 | S | S | * | * | trans | 62.6 | 113.2 | 153.1 | -77.7 | -111.4 | 0 | 0 | 0 | 119.3 | ||||
| 535 | S | 39.4 | Very low | 40.2 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | 64.1 | 126.1 | 74.2 | -156.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 536 | G | 45.8 | Very low | 40.5 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | cis | -166.7 | 177.2 | 12.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 537 | N | 39.5 | Very low | 41 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 92% | 0.92 | 85% | 0.849 | S | S | * | * | trans | -87.3 | 137.6 | -178.8 | -144.4 | 22.4 | 0 | 0 | 0 | 109.6 | ||||
| 538 | A | 46.8 | Very low | 41.2 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -157.8 | 126.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 539 | N | 52.5 | Low | 41.5 | Very low | 244 Ų | 244 | 143.1 Ų | 143.1 | 100% | 1.305 | 85% | 0.846 | S | S | * | * | trans | 80.7 | 0 | -177.2 | -72.6 | -13.4 | 0 | 0 | 0 | 118.4 |
Retrieved 539 of 539 residues in 188.1 ms
(Link to these results)